smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1scnc1C(=O)NCc1ccccc1O ZINC000290651358 519916690 /nfs/dbraw/zinc/91/66/90/519916690.db2.gz RSTFYIXQBWBYTL-UHFFFAOYSA-N 0 0 276.361 2.902 20 10 CFCDRN CCN(CC)C(=S)Sc1ncc([N+](=O)[O-])s1 ZINC000116436752 520568801 /nfs/dbraw/zinc/56/88/01/520568801.db2.gz YBHFNLSLKUMTLS-UHFFFAOYSA-N 0 0 277.396 2.770 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cncnc1 ZINC000347883974 533971320 /nfs/dbraw/zinc/97/13/20/533971320.db2.gz UQYKXFPAYXKEPZ-UHFFFAOYSA-N 0 0 295.346 2.598 20 10 CFCDRN CC(C)(C)c1cc(C(=O)NCCc2ccc(N)cc2)no1 ZINC000269146021 518994841 /nfs/dbraw/zinc/99/48/41/518994841.db2.gz DZYHMXLVEIRSOC-UHFFFAOYSA-N 0 0 287.363 2.527 20 10 CFCDRN CC(C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000082687373 519360736 /nfs/dbraw/zinc/36/07/36/519360736.db2.gz GLZKTIHRENJTSS-UHFFFAOYSA-N 0 0 264.152 2.560 20 10 CFCDRN CC(C)=CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000276660684 519402811 /nfs/dbraw/zinc/40/28/11/519402811.db2.gz WCWZIDAXCCYULK-SOFGYWHQSA-N 0 0 261.321 2.584 20 10 CFCDRN CC(C)CC1(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000236668868 519626870 /nfs/dbraw/zinc/62/68/70/519626870.db2.gz SPLLRFKOCDUYBU-UHFFFAOYSA-N 0 0 260.381 2.754 20 10 CFCDRN CC(C)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173198100 519633201 /nfs/dbraw/zinc/63/32/01/519633201.db2.gz XSKBXAYQYGWXCO-UHFFFAOYSA-N 0 0 276.380 2.914 20 10 CFCDRN CC(C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183455392 519636280 /nfs/dbraw/zinc/63/62/80/519636280.db2.gz VJEZWOQRZACFDV-NSHDSACASA-N 0 0 265.353 2.581 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC1 ZINC000299288110 519655370 /nfs/dbraw/zinc/65/53/70/519655370.db2.gz FLVKELFZTMWFRC-OAHLLOKOSA-N 0 0 290.407 2.526 20 10 CFCDRN CC(C)Oc1ccc(N(C)CC(=O)N(C)C2CC2)cc1 ZINC000191583261 519780237 /nfs/dbraw/zinc/78/02/37/519780237.db2.gz KFYWLSRSVQJWSJ-UHFFFAOYSA-N 0 0 276.380 2.531 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@H](O)C(F)(F)F)cc1 ZINC000191585145 519780249 /nfs/dbraw/zinc/78/02/49/519780249.db2.gz NFLVDZVIYGPMTH-LBPRGKRZSA-N 0 0 277.286 2.833 20 10 CFCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000276901297 519821508 /nfs/dbraw/zinc/82/15/08/519821508.db2.gz NJHASBDYJQNOEI-YGRLFVJLSA-N 0 0 269.360 2.977 20 10 CFCDRN CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278334965 519859763 /nfs/dbraw/zinc/85/97/63/519859763.db2.gz ZUCNYPSKDBRXHE-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN CC(C)c1noc(NCc2ccc(N(C)C)cc2)n1 ZINC000265420430 519906324 /nfs/dbraw/zinc/90/63/24/519906324.db2.gz IUIXYELEWKLGFG-UHFFFAOYSA-N 0 0 260.341 2.871 20 10 CFCDRN CC(C)n1ccnc1CN(C)Cc1ccccc1O ZINC000264716433 520025565 /nfs/dbraw/zinc/02/55/65/520025565.db2.gz NODJDJJYUCPGPI-UHFFFAOYSA-N 0 0 259.353 2.802 20 10 CFCDRN CC1(C)C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000310955683 520483334 /nfs/dbraw/zinc/48/33/34/520483334.db2.gz NBSGVHCECBLRDV-UHFFFAOYSA-N 0 0 253.317 2.532 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(F)F)cc1F ZINC000289233407 520896164 /nfs/dbraw/zinc/89/61/64/520896164.db2.gz OCKZJJLBHLIBLH-UHFFFAOYSA-N 0 0 288.313 2.943 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NCC(F)F)cc1 ZINC000073778636 520898546 /nfs/dbraw/zinc/89/85/46/520898546.db2.gz WVNMIDWMTGNTLM-UHFFFAOYSA-N 0 0 285.338 2.597 20 10 CFCDRN CCOC(=O)[C@@H](C)N(Cc1cccc(C)c1O)C1CC1 ZINC000191708272 521011090 /nfs/dbraw/zinc/01/10/90/521011090.db2.gz KDVAYDCPDNHORW-GFCCVEGCSA-N 0 0 277.364 2.617 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H](O)CSC)cc1 ZINC000275337342 521027839 /nfs/dbraw/zinc/02/78/39/521027839.db2.gz DEOPMIWWBZMRHD-ZDUSSCGKSA-N 0 0 269.410 2.636 20 10 CFCDRN CCN(CCc1cccs1)C(=O)c1cccc(O)c1O ZINC000279504299 521169314 /nfs/dbraw/zinc/16/93/14/521169314.db2.gz IVHXTGMFRPKYJQ-UHFFFAOYSA-N 0 0 291.372 2.864 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(=O)[nH]1 ZINC000279196872 521320763 /nfs/dbraw/zinc/32/07/63/521320763.db2.gz KIGWICHQKVZGHS-UHFFFAOYSA-N 0 0 299.374 2.516 20 10 CFCDRN CCOC(=O)c1cc(NCc2cc(F)ccc2O)cn1C ZINC000290559512 521444343 /nfs/dbraw/zinc/44/43/43/521444343.db2.gz SHCYHYDCSLFWLW-UHFFFAOYSA-N 0 0 292.310 2.659 20 10 CFCDRN CCCc1ncc(C(=O)NCc2ccc(N)cc2)s1 ZINC000297239518 521549300 /nfs/dbraw/zinc/54/93/00/521549300.db2.gz PPJDOBYMNBGURT-UHFFFAOYSA-N 0 0 275.377 2.608 20 10 CFCDRN CCCN(CC)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224900244 521608895 /nfs/dbraw/zinc/60/88/95/521608895.db2.gz FXCUSURIOCDWEG-UHFFFAOYSA-N 0 0 270.804 2.867 20 10 CFCDRN CCOC1CC(CN2CCOc3cc(N(C)C)ccc32)C1 ZINC000285502301 521648407 /nfs/dbraw/zinc/64/84/07/521648407.db2.gz FFGNTAWTZUJIMB-UHFFFAOYSA-N 0 0 290.407 2.767 20 10 CFCDRN CCOCC(C)(C)CNC(=O)N(C)Cc1ccccc1O ZINC000291840927 521667771 /nfs/dbraw/zinc/66/77/71/521667771.db2.gz NKANRBPQFOYBAY-UHFFFAOYSA-N 0 0 294.395 2.596 20 10 CFCDRN CCC1(C)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000292225962 521683185 /nfs/dbraw/zinc/68/31/85/521683185.db2.gz FFQQFXOTLNIVLG-UHFFFAOYSA-N 0 0 280.324 2.848 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CO[C@H](C)CC ZINC000124639633 521687582 /nfs/dbraw/zinc/68/75/82/521687582.db2.gz BAAXZAGKDCSIIG-CYBMUJFWSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NOC/C=C/Cl ZINC000291082108 521688588 /nfs/dbraw/zinc/68/85/88/521688588.db2.gz OOBVJOYNEYCLLW-VMPITWQZSA-N 0 0 298.770 2.998 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000289832424 521688973 /nfs/dbraw/zinc/68/89/73/521688973.db2.gz UJCIGRCIPXVKSS-LLVKDONJSA-N 0 0 268.788 2.572 20 10 CFCDRN CCS[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000236902920 521720400 /nfs/dbraw/zinc/72/04/00/521720400.db2.gz BPYKXGVEXBSOMU-CQSZACIVSA-N 0 0 280.437 2.705 20 10 CFCDRN CCS[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000236904127 521720628 /nfs/dbraw/zinc/72/06/28/521720628.db2.gz QRKSXNGTFPJRON-GFCCVEGCSA-N 0 0 252.383 2.985 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278214601 521869226 /nfs/dbraw/zinc/86/92/26/521869226.db2.gz KNYLJOFEOOFUJA-SNVBAGLBSA-N 0 0 280.324 2.683 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278218953 521869329 /nfs/dbraw/zinc/86/93/29/521869329.db2.gz LEMGYWCVUFTNTP-LLVKDONJSA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278143914 521869584 /nfs/dbraw/zinc/86/95/84/521869584.db2.gz BMODFCCDPDBINN-SECBINFHSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000278911098 521876582 /nfs/dbraw/zinc/87/65/82/521876582.db2.gz SOMUAJWLHMQAND-UHFFFAOYSA-N 0 0 280.324 2.731 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCCC(C)C)ccc1[N+](=O)[O-] ZINC000278938357 521877059 /nfs/dbraw/zinc/87/70/59/521877059.db2.gz XHZQPWOBZBIQRA-UHFFFAOYSA-N 0 0 282.340 2.835 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CCOC2)cc1 ZINC000177674965 522167241 /nfs/dbraw/zinc/16/72/41/522167241.db2.gz DPABQMKPACKBFL-HNNXBMFYSA-N 0 0 290.407 2.528 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H]2c2nccn2C)cc1 ZINC000365870175 522178118 /nfs/dbraw/zinc/17/81/18/522178118.db2.gz GXPDKFKEXJVNQJ-MRXNPFEDSA-N 0 0 284.407 2.823 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C=C2CCC2)cc1F ZINC000087209993 522184398 /nfs/dbraw/zinc/18/43/98/522184398.db2.gz MYTPQJNOUVUTQH-UHFFFAOYSA-N 0 0 262.328 2.618 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CCSCC2)cc1 ZINC000264858602 522184682 /nfs/dbraw/zinc/18/46/82/522184682.db2.gz PJFMZDIVLSHZAF-UHFFFAOYSA-N 0 0 278.421 2.512 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(C)C2)cc1 ZINC000173294658 522193499 /nfs/dbraw/zinc/19/34/99/522193499.db2.gz AMLLYPBLFBJBJG-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CN(C)c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 ZINC000299209743 522216927 /nfs/dbraw/zinc/21/69/27/522216927.db2.gz DBXWPRHQHTWHSC-UHFFFAOYSA-N 0 0 296.292 2.981 20 10 CFCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000236899599 522231986 /nfs/dbraw/zinc/23/19/86/522231986.db2.gz LTHLZZZCWWBIQA-SSDOTTSWSA-N 0 0 258.705 2.842 20 10 CFCDRN CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186382691 522348688 /nfs/dbraw/zinc/34/86/88/522348688.db2.gz XRLJBJZCFSTLAQ-WOPDTQHZSA-N 0 0 279.380 2.827 20 10 CFCDRN COC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000276587627 522572183 /nfs/dbraw/zinc/57/21/83/522572183.db2.gz GABLNXHEAOFYNJ-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN COC(=O)C(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000275094188 522744593 /nfs/dbraw/zinc/74/45/93/522744593.db2.gz MUDCZAKKHAUOHI-ZETCQYMHSA-N 0 0 287.406 2.663 20 10 CFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172811488 522746167 /nfs/dbraw/zinc/74/61/67/522746167.db2.gz KYQBMLOFZKTHIA-JYKYSHPRSA-N 0 0 290.319 2.770 20 10 CFCDRN COC(=O)C(C)(C)NCc1ccc(N2CCCCC2)cc1 ZINC000037085147 522803095 /nfs/dbraw/zinc/80/30/95/522803095.db2.gz XBPKJNYQAPCWDW-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN COC[C@H]1CCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000294237298 522850544 /nfs/dbraw/zinc/85/05/44/522850544.db2.gz GBUOSQHBXBSKNM-QGZVFWFLSA-N 0 0 298.386 2.955 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)CCCO)c1ccc(F)cc1[O-] ZINC000285920693 522933426 /nfs/dbraw/zinc/93/34/26/522933426.db2.gz DTROSAAGTXEACO-ZWNOBZJWSA-N 0 0 255.333 2.733 20 10 CFCDRN CCc1ocnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000265786892 523019334 /nfs/dbraw/zinc/01/93/34/523019334.db2.gz KXIMSCIHFYEVKX-UHFFFAOYSA-N 0 0 287.363 2.575 20 10 CFCDRN CC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079297942 523071447 /nfs/dbraw/zinc/07/14/47/523071447.db2.gz RZYZBSJJANHBLB-ZDUSSCGKSA-N 0 0 260.381 2.850 20 10 CFCDRN COCc1nc(CN[C@H](C)c2cc(F)ccc2O)cs1 ZINC000289614607 523202592 /nfs/dbraw/zinc/20/25/92/523202592.db2.gz DFOCWWNGYCGERC-SECBINFHSA-N 0 0 296.367 2.985 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295787375 523281941 /nfs/dbraw/zinc/28/19/41/523281941.db2.gz RFTMITHWKRVITI-YUTCNCBUSA-N 0 0 291.391 2.971 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C1CCOCC1 ZINC000280133131 523379089 /nfs/dbraw/zinc/37/90/89/523379089.db2.gz YCFZQPCBVXYLQV-UHFFFAOYSA-N 0 0 291.391 2.803 20 10 CFCDRN COCCC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000182657831 523477429 /nfs/dbraw/zinc/47/74/29/523477429.db2.gz ASMGFDBDOGCEJY-LBPRGKRZSA-N 0 0 296.386 2.571 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000293188972 523556531 /nfs/dbraw/zinc/55/65/31/523556531.db2.gz BBJQRRJKSIHEQN-DZGCQCFKSA-N 0 0 277.364 2.556 20 10 CFCDRN CC[C@@](C)(OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000281320286 523676518 /nfs/dbraw/zinc/67/65/18/523676518.db2.gz ZVGAJQWSXHSCOE-MRXNPFEDSA-N 0 0 278.396 2.526 20 10 CFCDRN COCCN1CCCc2cc(OC(F)F)ccc21 ZINC000065597339 523837573 /nfs/dbraw/zinc/83/75/73/523837573.db2.gz MWLNQYYPXBALKB-UHFFFAOYSA-N 0 0 257.280 2.687 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccc(N)cc3)ccc21 ZINC000272646003 523861247 /nfs/dbraw/zinc/86/12/47/523861247.db2.gz DAXIJJJYOLJWJL-UHFFFAOYSA-N 0 0 295.386 2.581 20 10 CFCDRN COC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000191649671 523878478 /nfs/dbraw/zinc/87/84/78/523878478.db2.gz BWGNQBKNHDZMNH-ZDUSSCGKSA-N 0 0 290.407 2.669 20 10 CFCDRN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000193875643 523966076 /nfs/dbraw/zinc/96/60/76/523966076.db2.gz ZHKUSRZKSRSLRL-JFGNBEQYSA-N 0 0 281.327 2.524 20 10 CFCDRN COCCOCCN(C)c1ccc(OC(C)C)cc1 ZINC000277124697 524000061 /nfs/dbraw/zinc/00/00/61/524000061.db2.gz IAYZNRYLOKZABX-UHFFFAOYSA-N 0 0 267.369 2.573 20 10 CFCDRN COCCOc1ccc(NCc2cccc(C)c2O)cn1 ZINC000158139563 524050101 /nfs/dbraw/zinc/05/01/01/524050101.db2.gz XDXPMGVBOVDGKP-UHFFFAOYSA-N 0 0 288.347 2.733 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)(F)F ZINC000293384089 524085410 /nfs/dbraw/zinc/08/54/10/524085410.db2.gz MXIGNERUDNTFHU-VIFPVBQESA-N 0 0 257.280 2.642 20 10 CFCDRN C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173290525 524253416 /nfs/dbraw/zinc/25/34/16/524253416.db2.gz VYHAYZXJDQVMKK-CQSZACIVSA-N 0 0 285.391 2.757 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)(C)C)C(C)C)cc1F ZINC000101567531 524359302 /nfs/dbraw/zinc/35/93/02/524359302.db2.gz BVVIYYHMSYGCEJ-UHFFFAOYSA-N 0 0 296.386 2.964 20 10 CFCDRN COc1ccc(N(C[C@H](O)C(F)(F)F)C(C)C)cc1F ZINC000121577616 524366563 /nfs/dbraw/zinc/36/65/63/524366563.db2.gz HDCYKFBEYYEWOB-LBPRGKRZSA-N 0 0 295.276 2.972 20 10 CFCDRN COc1ccc(N(Cc2ncnn2C)[C@H](C)C2CC2)cc1 ZINC000177154403 524370302 /nfs/dbraw/zinc/37/03/02/524370302.db2.gz NNTDSTRAARTFBT-GFCCVEGCSA-N 0 0 286.379 2.629 20 10 CFCDRN Cc1cccc(CN2C[C@H](O)Cc3ccccc32)c1O ZINC000279388310 524410072 /nfs/dbraw/zinc/41/00/72/524410072.db2.gz JXJIZNRIGAEHMT-OAHLLOKOSA-N 0 0 269.344 2.624 20 10 CFCDRN COc1ccc(N2CCN(CC(F)(F)F)CC2)cc1F ZINC000084866689 524424562 /nfs/dbraw/zinc/42/45/62/524424562.db2.gz NWMPXRZXAQYHGC-UHFFFAOYSA-N 0 0 292.276 2.519 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000226153300 524606480 /nfs/dbraw/zinc/60/64/80/524606480.db2.gz KFURJGOYQUCBFE-TYNCELHUSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000280603016 524627868 /nfs/dbraw/zinc/62/78/68/524627868.db2.gz OEEKQAUJONEOHK-HZMBPMFUSA-N 0 0 265.328 2.531 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)C(C)(C)C ZINC000274959369 524699475 /nfs/dbraw/zinc/69/94/75/524699475.db2.gz UAUVWMLHGONSDW-MNOVXSKESA-N 0 0 279.380 2.827 20 10 CFCDRN COc1ccc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289311950 524738703 /nfs/dbraw/zinc/73/87/03/524738703.db2.gz DTWPDEAPXAGCNX-OAHLLOKOSA-N 0 0 287.363 2.851 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(C(F)(F)F)nn2)c1 ZINC000301952130 524755546 /nfs/dbraw/zinc/75/55/46/524755546.db2.gz CBABMWMQPDMEST-UHFFFAOYSA-N 0 0 299.252 2.822 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc(C)s2)c1 ZINC000274247168 524767477 /nfs/dbraw/zinc/76/74/77/524767477.db2.gz RSLZCOVXKCKGTL-BDAKNGLRSA-N 0 0 293.392 2.973 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000052331794 524988356 /nfs/dbraw/zinc/98/83/56/524988356.db2.gz WICHPVLPAOKNKU-LBPRGKRZSA-N 0 0 260.381 2.896 20 10 CFCDRN Cc1ccccc1CCNC(=O)CSc1nccs1 ZINC000047247995 525110096 /nfs/dbraw/zinc/11/00/96/525110096.db2.gz WAARRXBAZSZUSE-UHFFFAOYSA-N 0 0 292.429 2.903 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(F)cc1[O-] ZINC000230666387 525311299 /nfs/dbraw/zinc/31/12/99/525311299.db2.gz SJLDKIVNOZRYJW-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271854683 525411124 /nfs/dbraw/zinc/41/11/24/525411124.db2.gz UQOWEYWFGPPDIL-GHMZBOCLSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(F)cc1[O-] ZINC000062748275 525449194 /nfs/dbraw/zinc/44/91/94/525449194.db2.gz ZUWMDPBODSYNEH-GFCCVEGCSA-N 0 0 266.360 2.668 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000224908835 525456270 /nfs/dbraw/zinc/45/62/70/525456270.db2.gz UMOVHPJEEGKURM-JTQLQIEISA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273485517 525482109 /nfs/dbraw/zinc/48/21/09/525482109.db2.gz NDAVZQOSHBBFPI-IJLUTSLNSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280109348 525486516 /nfs/dbraw/zinc/48/65/16/525486516.db2.gz OUCLCJQBOWKAJW-ZJUUUORDSA-N 0 0 282.365 2.704 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)COC(C)C ZINC000270927937 525512292 /nfs/dbraw/zinc/51/22/92/525512292.db2.gz WJIOJMRSEAKLDS-HNNXBMFYSA-N 0 0 293.407 2.624 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000237455166 525513116 /nfs/dbraw/zinc/51/31/16/525513116.db2.gz CPLUOOIAFLYPON-SSDOTTSWSA-N 0 0 270.716 2.842 20 10 CFCDRN C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(N(C)C)cc1 ZINC000302428063 525645014 /nfs/dbraw/zinc/64/50/14/525645014.db2.gz PAZDBMYYXCRTCF-VIFPVBQESA-N 0 0 291.786 2.951 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000277004671 525676583 /nfs/dbraw/zinc/67/65/83/525676583.db2.gz ZZPMHPJFSGNOSS-BDAKNGLRSA-N 0 0 257.280 2.500 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000265398888 525828692 /nfs/dbraw/zinc/82/86/92/525828692.db2.gz VKZAJLSVBUBHFH-CHWSQXEVSA-N 0 0 294.420 2.866 20 10 CFCDRN C[C@H](O)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000290519815 525876454 /nfs/dbraw/zinc/87/64/54/525876454.db2.gz XMVAWMYIGZPOSD-VIFPVBQESA-N 0 0 292.360 2.562 20 10 CFCDRN Cc1cnc(C)c(NCc2ccc(N(C)C)cc2)n1 ZINC000299454481 525986171 /nfs/dbraw/zinc/98/61/71/525986171.db2.gz VGXVIOIBZYJPFV-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2C)c1O ZINC000286636069 525995696 /nfs/dbraw/zinc/99/56/96/525995696.db2.gz AZCJNHDVFRHRMK-DGCLKSJQSA-N 0 0 275.348 2.619 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)c(O)c1O ZINC000292004031 526095156 /nfs/dbraw/zinc/09/51/56/526095156.db2.gz CMPBBSGAYJCMGN-GFCCVEGCSA-N 0 0 275.348 2.668 20 10 CFCDRN CSc1ccccc1C(=O)N1CCS[C@H](C)C1 ZINC000171581946 526149201 /nfs/dbraw/zinc/14/92/01/526149201.db2.gz QCXRGFVZZJJIIX-SNVBAGLBSA-N 0 0 267.419 2.986 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCN3C)cc1O ZINC000364451362 526187163 /nfs/dbraw/zinc/18/71/63/526187163.db2.gz UVOGEGIGOJDLGL-UHFFFAOYSA-N 0 0 296.370 2.623 20 10 CFCDRN C[C@H]1CC(NC(=O)Cc2ccc(N)cc2)C[C@H](C)C1 ZINC000084971705 526227264 /nfs/dbraw/zinc/22/72/64/526227264.db2.gz HDDHARCMIUODSG-VXGBXAGGSA-N 0 0 260.381 2.752 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000263686005 526259597 /nfs/dbraw/zinc/25/95/97/526259597.db2.gz HPSOPQULQHWNNL-LBPRGKRZSA-N 0 0 283.375 2.971 20 10 CFCDRN Oc1c(Cl)cccc1CN1C[C@@H](O)Cc2ccccc21 ZINC000279349874 526327528 /nfs/dbraw/zinc/32/75/28/526327528.db2.gz GEXHOMBATVKFEN-ZDUSSCGKSA-N 0 0 289.762 2.969 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000224931022 526328017 /nfs/dbraw/zinc/32/80/17/526328017.db2.gz YSCVIHJIDSRPIE-GXTWGEPZSA-N 0 0 267.756 2.703 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000191296774 526344771 /nfs/dbraw/zinc/34/47/71/526344771.db2.gz UVGZHHSQVBVAEX-NSHDSACASA-N 0 0 298.789 2.855 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCC1(F)F ZINC000296250781 526686714 /nfs/dbraw/zinc/68/67/14/526686714.db2.gz FQOXABPYTLSNCT-SNVBAGLBSA-N 0 0 285.290 2.540 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)NC1CCC1 ZINC000277496027 526710119 /nfs/dbraw/zinc/71/01/19/526710119.db2.gz QVRXYVZESJFDSR-UHFFFAOYSA-N 0 0 299.168 2.506 20 10 CFCDRN O=C(N[C@@H]1CC12CCCCC2)c1cccc(O)c1O ZINC000193151990 526881310 /nfs/dbraw/zinc/88/13/10/526881310.db2.gz AFJVGLFLCAZFLV-GFCCVEGCSA-N 0 0 261.321 2.550 20 10 CFCDRN Cn1cc(Br)c(CSc2nccs2)n1 ZINC000292701902 527146074 /nfs/dbraw/zinc/14/60/74/527146074.db2.gz QOWLPZJOMPICAM-UHFFFAOYSA-N 0 0 290.211 2.931 20 10 CFCDRN Cc1nccnc1NCc1ccc(N2CCCC2)cc1 ZINC000290540134 527452739 /nfs/dbraw/zinc/45/27/39/527452739.db2.gz PCTYYXHTGMMEFR-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN Nc1ccc(CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000262600631 527474764 /nfs/dbraw/zinc/47/47/64/527474764.db2.gz BWSPYGRWNOHLFU-KWOWKCNFSA-N 0 0 284.403 2.848 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000237915150 527477646 /nfs/dbraw/zinc/47/76/46/527477646.db2.gz XEMBHYIVKRRQGP-INIZCTEOSA-N 0 0 296.370 2.841 20 10 CFCDRN Nc1ccc(CCNC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000179042261 527480060 /nfs/dbraw/zinc/48/00/60/527480060.db2.gz GTAUKRPUUVREOL-UHFFFAOYSA-N 0 0 294.398 2.659 20 10 CFCDRN Cn1nccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000071138204 527610421 /nfs/dbraw/zinc/61/04/21/527610421.db2.gz QMBFPVHNGXAJMH-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000158482521 527661055 /nfs/dbraw/zinc/66/10/55/527661055.db2.gz HKOFHLYLGHWOCE-LBPRGKRZSA-N 0 0 275.270 2.589 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC=CCC1 ZINC000935309496 649896529 /nfs/dbraw/zinc/89/65/29/649896529.db2.gz CIYYUNBUMHWKKF-QWHCGFSZSA-N 0 0 289.375 2.891 20 10 CFCDRN Cc1cc(-c2ccn(CC3CC3)c(=O)c2)cnc1F ZINC001243399930 782183384 /nfs/dbraw/zinc/18/33/84/782183384.db2.gz CFQHBACTWVWALG-UHFFFAOYSA-N 0 0 258.296 2.768 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCSC)c1 ZINC000736675322 574064643 /nfs/dbraw/zinc/06/46/43/574064643.db2.gz ZZMHDMIPPBKRQE-SNVBAGLBSA-N 0 0 283.393 2.721 20 10 CFCDRN O=C(OCc1cccc(Cl)n1)C1=CC(=O)CS1 ZINC000745002740 574096657 /nfs/dbraw/zinc/09/66/57/574096657.db2.gz ONWKWDUJNRLDGD-UHFFFAOYSA-N 0 0 269.709 2.859 20 10 CFCDRN CC[C@H](C)NC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000728791363 574110639 /nfs/dbraw/zinc/11/06/39/574110639.db2.gz BNWCXEWETVKQHZ-VHSXEESVSA-N 0 0 282.409 2.724 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=S)NC(C)(C)C)c1 ZINC000728793136 574110661 /nfs/dbraw/zinc/11/06/61/574110661.db2.gz OVXQXBALMZOYRV-VIFPVBQESA-N 0 0 282.409 2.724 20 10 CFCDRN O=C1/C(=C/c2ncc[nH]2)SC(=S)N1c1ccccc1 ZINC000731155587 574111439 /nfs/dbraw/zinc/11/14/39/574111439.db2.gz LQMRDFLLCZGTBB-NTMALXAHSA-N 0 0 287.369 2.816 20 10 CFCDRN CCNC(=S)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731319941 574116529 /nfs/dbraw/zinc/11/65/29/574116529.db2.gz REGOMMNLYUBQOA-UHFFFAOYSA-N 0 0 283.416 2.656 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756733419 574128934 /nfs/dbraw/zinc/12/89/34/574128934.db2.gz QZLRGSMJIOKYSK-IONNQARKSA-N 0 0 259.321 2.827 20 10 CFCDRN O=C(NCCc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731863895 574130827 /nfs/dbraw/zinc/13/08/27/574130827.db2.gz JEDLWHRRYWAXSB-UHFFFAOYSA-N 0 0 265.309 2.565 20 10 CFCDRN 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CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)[nH]c2C)c1 ZINC000728978024 574143283 /nfs/dbraw/zinc/14/32/83/574143283.db2.gz KKYXTSRZLCTWDW-SNVBAGLBSA-N 0 0 288.347 2.837 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C)s2)c1 ZINC000728981833 574143444 /nfs/dbraw/zinc/14/34/44/574143444.db2.gz FOTQNXWVJFNPRA-MRVPVSSYSA-N 0 0 292.360 2.657 20 10 CFCDRN CCCSCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728981850 574143551 /nfs/dbraw/zinc/14/35/51/574143551.db2.gz GCKQLIKODKSBIA-SNVBAGLBSA-N 0 0 283.393 2.721 20 10 CFCDRN Cc1ccc(OC[C@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000732278398 574148141 /nfs/dbraw/zinc/14/81/41/574148141.db2.gz LAZPPKJWXOSUOV-NSHDSACASA-N 0 0 291.372 2.959 20 10 CFCDRN CN(C)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000732269032 574148614 /nfs/dbraw/zinc/14/86/14/574148614.db2.gz OQHJFQQZGFAWGS-UHFFFAOYSA-N 0 0 262.334 2.772 20 10 CFCDRN O=C(N[C@@H]1CCOc2c(F)cccc21)C1=CC(=O)CS1 ZINC000732275643 574149330 /nfs/dbraw/zinc/14/93/30/574149330.db2.gz FWGDSWNMLCBBSL-LLVKDONJSA-N 0 0 293.319 2.846 20 10 CFCDRN O=C(OC[C@@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000732354981 574153256 /nfs/dbraw/zinc/15/32/56/574153256.db2.gz YNBPRYCCPDXECC-YFKPBYRVSA-N 0 0 267.133 2.804 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2nonc2C)cc1 ZINC000738298309 574163238 /nfs/dbraw/zinc/16/32/38/574163238.db2.gz IAXRAVNMWYDGIE-UHFFFAOYSA-N 0 0 288.395 2.856 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)COC2 ZINC000755492609 574165370 /nfs/dbraw/zinc/16/53/70/574165370.db2.gz IBWCKWCCJWERTP-UHFFFAOYSA-N 0 0 297.354 2.624 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cocn2)cc1 ZINC000729306333 574196709 /nfs/dbraw/zinc/19/67/09/574196709.db2.gz XDTCQHQDEUVOQM-UHFFFAOYSA-N 0 0 287.363 2.793 20 10 CFCDRN CCc1cnc(CN(C)C(=O)C2=CC(=O)CS2)s1 ZINC000747522330 574199635 /nfs/dbraw/zinc/19/96/35/574199635.db2.gz ICPFBHWSCVOQCW-UHFFFAOYSA-N 0 0 282.390 2.745 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ccon2)cc1F ZINC000747622032 574203270 /nfs/dbraw/zinc/20/32/70/574203270.db2.gz HOBACUIPZAGPSY-UHFFFAOYSA-N 0 0 277.343 2.950 20 10 CFCDRN CCCCOC(=O)CN(CC)c1ccc(OC)cc1 ZINC000747682562 574206532 /nfs/dbraw/zinc/20/65/32/574206532.db2.gz NDHTVVPHUULJNS-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN COCC(C)(C)CN(C)c1ccc2c(c1)OCO2 ZINC000756101878 574209364 /nfs/dbraw/zinc/20/93/64/574209364.db2.gz PICZYMQYROBBDN-UHFFFAOYSA-N 0 0 251.326 2.524 20 10 CFCDRN CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739360400 574209998 /nfs/dbraw/zinc/20/99/98/574209998.db2.gz UWTUAOOBNHZERI-CYBMUJFWSA-N 0 0 292.379 2.604 20 10 CFCDRN COc1cccc(CNCc2nnc(C(C)C)s2)c1O ZINC000756133275 574212261 /nfs/dbraw/zinc/21/22/61/574212261.db2.gz WFPAEDSAEWVILZ-UHFFFAOYSA-N 0 0 293.392 2.666 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1 ZINC000739525074 574216975 /nfs/dbraw/zinc/21/69/75/574216975.db2.gz ZUPADPBXMIVVFA-HNNXBMFYSA-N 0 0 290.407 2.576 20 10 CFCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729508278 574220994 /nfs/dbraw/zinc/22/09/94/574220994.db2.gz UZDYZFGOVAMRDG-FZMZJTMJSA-N 0 0 293.386 2.880 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCc2ccccc21 ZINC000729529877 574222902 /nfs/dbraw/zinc/22/29/02/574222902.db2.gz LXLUPQJOHKZGQT-OAHLLOKOSA-N 0 0 267.328 2.738 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756345480 574227815 /nfs/dbraw/zinc/22/78/15/574227815.db2.gz XQJQVTLIYVQXCM-SECBINFHSA-N 0 0 264.275 2.916 20 10 CFCDRN CC(C)(C)CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756387385 574232284 /nfs/dbraw/zinc/23/22/84/574232284.db2.gz XDXWSOWLAKOJMS-AWEZNQCLSA-N 0 0 291.391 2.991 20 10 CFCDRN COc1ncccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756392702 574233014 /nfs/dbraw/zinc/23/30/14/574233014.db2.gz IYYZZQXWDYYTGT-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN C[C@H]([NH2+]CCc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756394199 574233056 /nfs/dbraw/zinc/23/30/56/574233056.db2.gz CKMBNHZQORNNFG-NSHDSACASA-N 0 0 287.319 2.589 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756394926 574233466 /nfs/dbraw/zinc/23/34/66/574233466.db2.gz CXQVTNSSOFUOJG-LLVKDONJSA-N 0 0 284.350 2.807 20 10 CFCDRN Cc1cc(C[N@H+](C)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000740079745 574234843 /nfs/dbraw/zinc/23/48/43/574234843.db2.gz KJLLONHDZUBDSL-UHFFFAOYSA-N 0 0 265.353 2.515 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000756455073 574238618 /nfs/dbraw/zinc/23/86/18/574238618.db2.gz IOECCIQQQVDIKD-KOLCDFICSA-N 0 0 271.307 2.890 20 10 CFCDRN CC(=O)Nc1cc(C(=O)NCc2ccccc2O)ccc1C ZINC000748344746 574247769 /nfs/dbraw/zinc/24/77/69/574247769.db2.gz BCURGSYBACHEHO-UHFFFAOYSA-N 0 0 298.342 2.589 20 10 CFCDRN O=C(NCc1ccccc1O)c1cncn1-c1ccccc1 ZINC000748353690 574249057 /nfs/dbraw/zinc/24/90/57/574249057.db2.gz OGNODPREFXWYDZ-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN CCCCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574631 574249476 /nfs/dbraw/zinc/24/94/76/574249476.db2.gz DWUIEEGUBVAYCC-LBPRGKRZSA-N 0 0 295.383 2.683 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]1Cc1ccccc1 ZINC000748421471 574251335 /nfs/dbraw/zinc/25/13/35/574251335.db2.gz PVGKVOQSILZVLS-GFCCVEGCSA-N 0 0 273.357 2.911 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000756628031 574253357 /nfs/dbraw/zinc/25/33/57/574253357.db2.gz KHEXOHGQFIVLSL-NEPJUHHUSA-N 0 0 266.360 2.524 20 10 CFCDRN C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000756635635 574254256 /nfs/dbraw/zinc/25/42/56/574254256.db2.gz GIOIHJADIIMDQW-SECBINFHSA-N 0 0 295.383 2.905 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c(O)c1O ZINC000756637932 574254633 /nfs/dbraw/zinc/25/46/33/574254633.db2.gz MJOSIVBUCINWJX-MVWJERBFSA-N 0 0 277.364 2.961 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756646945 574255399 /nfs/dbraw/zinc/25/53/99/574255399.db2.gz QYHXAFKDLHOUQA-GRYCIOLGSA-N 0 0 294.351 2.766 20 10 CFCDRN COC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645786 574255451 /nfs/dbraw/zinc/25/54/51/574255451.db2.gz JWKJHLRFFIJMEY-QMMMGPOBSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1cccc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000756654753 574255987 /nfs/dbraw/zinc/25/59/87/574255987.db2.gz LYBGVRNJEHFCCS-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN Cc1noc(C)c1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000733806403 574256999 /nfs/dbraw/zinc/25/69/99/574256999.db2.gz BNRXMAWUEPFUPI-LURJTMIESA-N 0 0 266.322 2.550 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(F)cc(F)c1[O-] ZINC000756673451 574257107 /nfs/dbraw/zinc/25/71/07/574257107.db2.gz ZFXPLCSOYLRZMF-VHSXEESVSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1[O-] ZINC000756769403 574260933 /nfs/dbraw/zinc/26/09/33/574260933.db2.gz QDNWFZPVKNSHTC-VIFPVBQESA-N 0 0 264.275 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(F)cc(F)c1[O-] ZINC000756761026 574261092 /nfs/dbraw/zinc/26/10/92/574261092.db2.gz QTRKFUNUSUGSMC-KCJUWKMLSA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1[O-] ZINC000756765897 574261343 /nfs/dbraw/zinc/26/13/43/574261343.db2.gz SIZSHUSIWRCPHA-NSHDSACASA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756782471 574262348 /nfs/dbraw/zinc/26/23/48/574262348.db2.gz BMYGWGTZUJBANC-KSBSHMNSSA-N 0 0 299.239 2.634 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756778043 574262361 /nfs/dbraw/zinc/26/23/61/574262361.db2.gz LVHWVDCJSNMUEI-DTWKUNHWSA-N 0 0 278.331 2.624 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000756836459 574266042 /nfs/dbraw/zinc/26/60/42/574266042.db2.gz VRYYFSBFKZXDNU-HQJQHLMTSA-N 0 0 281.249 2.759 20 10 CFCDRN C[C@@H]([NH2+]CCOC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756840793 574267407 /nfs/dbraw/zinc/26/74/07/574267407.db2.gz ZRVBGDRINSTJFS-SNVBAGLBSA-N 0 0 280.324 2.520 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000734161303 574278057 /nfs/dbraw/zinc/27/80/57/574278057.db2.gz QHTUWLKXNOPKQG-NSHDSACASA-N 0 0 276.163 2.560 20 10 CFCDRN COc1ccc(N(CCN2CCOC2=O)C(C)C)cc1F ZINC000749149936 574282648 /nfs/dbraw/zinc/28/26/48/574282648.db2.gz DYXXDFPZEDJFMK-UHFFFAOYSA-N 0 0 296.342 2.501 20 10 CFCDRN CC[C@@H](C)NC(=S)NCc1ccc(N(C)C)cc1C ZINC000734383047 574286006 /nfs/dbraw/zinc/28/60/06/574286006.db2.gz AMQRCXQTUXNHHN-GFCCVEGCSA-N 0 0 279.453 2.824 20 10 CFCDRN O=C(NCc1ccccc1O)C1(c2cccc(F)c2)CC1 ZINC000734547831 574293119 /nfs/dbraw/zinc/29/31/19/574293119.db2.gz QEWHMWNVHCOJQR-UHFFFAOYSA-N 0 0 285.318 2.879 20 10 CFCDRN O=C(Cc1c[nH]c2ccc(F)cc12)NCc1ccccc1O ZINC000734547955 574293344 /nfs/dbraw/zinc/29/33/44/574293344.db2.gz RDNJQNBHEXGENK-UHFFFAOYSA-N 0 0 298.317 2.872 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)C ZINC000734686092 574297568 /nfs/dbraw/zinc/29/75/68/574297568.db2.gz KIIIVAHKVDOMQP-UHFFFAOYSA-N 0 0 277.412 2.858 20 10 CFCDRN CCOC(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000741779104 574302401 /nfs/dbraw/zinc/30/24/01/574302401.db2.gz CKMJLENDIOBENB-UHFFFAOYSA-N 0 0 265.353 2.721 20 10 CFCDRN CC[C@H](C)N(CC(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000741781201 574302717 /nfs/dbraw/zinc/30/27/17/574302717.db2.gz LXPGBSRFFAFXJF-ZDUSSCGKSA-N 0 0 278.396 2.526 20 10 CFCDRN Oc1cc2c(cc1CN1CCC[C@@H]1c1ncon1)CCC2 ZINC000750016736 574320874 /nfs/dbraw/zinc/32/08/74/574320874.db2.gz IDMSSOMPONTZTF-CQSZACIVSA-N 0 0 285.347 2.601 20 10 CFCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1F ZINC000735487339 574326789 /nfs/dbraw/zinc/32/67/89/574326789.db2.gz UBEAHMVKSGWCHD-UHFFFAOYSA-N 0 0 290.298 2.807 20 10 CFCDRN O=C(C[C@@H]1CCOc2ccccc21)NCc1ccccc1O ZINC000735516118 574328684 /nfs/dbraw/zinc/32/86/84/574328684.db2.gz JLDIQOLKKMYMOT-ZDUSSCGKSA-N 0 0 297.354 2.965 20 10 CFCDRN CC(C)OCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468918 574331354 /nfs/dbraw/zinc/33/13/54/574331354.db2.gz SWVWHRGTYPYQHQ-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN CSCCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000736020969 574347731 /nfs/dbraw/zinc/34/77/31/574347731.db2.gz CDEYZBQJOOMKRN-UHFFFAOYSA-N 0 0 280.437 2.820 20 10 CFCDRN CCC/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952607 574348281 /nfs/dbraw/zinc/34/82/81/574348281.db2.gz NODVESXWVQYTPR-SREVYHEPSA-N 0 0 274.364 2.834 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccco1 ZINC000743312907 574357933 /nfs/dbraw/zinc/35/79/33/574357933.db2.gz QYOKKIIYKIXOBF-NSHDSACASA-N 0 0 259.305 2.747 20 10 CFCDRN Cc1ccc(CNC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000751532663 574378596 /nfs/dbraw/zinc/37/85/96/574378596.db2.gz CUSXVADMSQVYJV-UHFFFAOYSA-N 0 0 285.343 2.953 20 10 CFCDRN CCc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000752131266 574388396 /nfs/dbraw/zinc/38/83/96/574388396.db2.gz XJRSXKCTIZZXBK-UHFFFAOYSA-N 0 0 269.344 2.814 20 10 CFCDRN O=C(NCCOc1ccccc1Cl)C1=CC(=O)CS1 ZINC000752640722 574393348 /nfs/dbraw/zinc/39/33/48/574393348.db2.gz IQLCKUCPIXUDCB-UHFFFAOYSA-N 0 0 297.763 2.916 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccc(Cl)n1 ZINC000752696165 574393679 /nfs/dbraw/zinc/39/36/79/574393679.db2.gz FGVWCLFMWMPWAF-UHFFFAOYSA-N 0 0 277.711 2.762 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCS1 ZINC000752793525 574395270 /nfs/dbraw/zinc/39/52/70/574395270.db2.gz SLNPYTRCSDCJRX-HOSRBBHYSA-N 0 0 293.388 2.513 20 10 CFCDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000752816367 574395502 /nfs/dbraw/zinc/39/55/02/574395502.db2.gz SIVCBFLQYDMWBY-ZWNOBZJWSA-N 0 0 283.393 2.635 20 10 CFCDRN CS[C@H](CNC(=O)c1ccc(C)c(O)c1O)C(C)(C)C ZINC000752893509 574396271 /nfs/dbraw/zinc/39/62/71/574396271.db2.gz WPCWFWVARSXRLN-LLVKDONJSA-N 0 0 297.420 2.914 20 10 CFCDRN CC[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000818143599 597247769 /nfs/dbraw/zinc/24/77/69/597247769.db2.gz DPTYERFINLFNSY-CQSZACIVSA-N 0 0 264.369 2.658 20 10 CFCDRN CCOc1ccc(O)c(CNC(C)(C)C(F)F)c1 ZINC000793256738 618259332 /nfs/dbraw/zinc/25/93/32/618259332.db2.gz ZQZFQGDOZWQILL-UHFFFAOYSA-N 0 0 259.296 2.924 20 10 CFCDRN COc1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1C ZINC000086735419 600007863 /nfs/dbraw/zinc/00/78/63/600007863.db2.gz OUGGYWIVWVUZNN-UHFFFAOYSA-N 0 0 277.364 2.737 20 10 CFCDRN CC(C)[N@H+](CCCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000083662633 600225423 /nfs/dbraw/zinc/22/54/23/600225423.db2.gz GHLCDACEMUZGBG-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN O=C([O-])[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086728316 600712768 /nfs/dbraw/zinc/71/27/68/600712768.db2.gz SIOYMHIIWVEVSJ-ZDUSSCGKSA-N 0 0 285.343 2.842 20 10 CFCDRN C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1O ZINC000830819317 601953703 /nfs/dbraw/zinc/95/37/03/601953703.db2.gz CPDOXRPRQYFPAC-UHFFFAOYSA-N 0 0 277.345 2.784 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(O)c1 ZINC000935771441 649941431 /nfs/dbraw/zinc/94/14/31/649941431.db2.gz SMPYMDMMPCHKDH-XYYAHUGASA-N 0 0 289.375 2.843 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000826621054 604317939 /nfs/dbraw/zinc/31/79/39/604317939.db2.gz XVWLIWTUMROFMF-DZGCQCFKSA-N 0 0 291.395 2.546 20 10 CFCDRN CC(C)C[N@H+](CCC(=O)[O-])Cc1c(O)cccc1Cl ZINC000833486960 604579053 /nfs/dbraw/zinc/57/90/53/604579053.db2.gz WYDRIYFODCLFJT-UHFFFAOYSA-N 0 0 285.771 2.978 20 10 CFCDRN CCOC1CC(CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759854 617836722 /nfs/dbraw/zinc/83/67/22/617836722.db2.gz SIFHOZJIEPVDTQ-UHFFFAOYSA-N 0 0 297.782 2.867 20 10 CFCDRN CCCn1cc(C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890759045 617837251 /nfs/dbraw/zinc/83/72/51/617837251.db2.gz APEHOBYDNGXKGJ-UHFFFAOYSA-N 0 0 293.754 2.582 20 10 CFCDRN CC(C)(C)C[C@@H](O)CC(=O)NCc1cccc(Cl)c1O ZINC000890759177 617837303 /nfs/dbraw/zinc/83/73/03/617837303.db2.gz FSCLLIZXIFNFHQ-NSHDSACASA-N 0 0 299.798 2.849 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1cccc(Cl)c1O ZINC000890759828 617837364 /nfs/dbraw/zinc/83/73/64/617837364.db2.gz RNMKYGUWOOEIIN-TVQRCGJNSA-N 0 0 285.771 2.723 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H](O)C1CCCCC1 ZINC000890759730 617837505 /nfs/dbraw/zinc/83/75/05/617837505.db2.gz PJLNRHYDKCWPFX-AWEZNQCLSA-N 0 0 297.782 2.603 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760561 617839150 /nfs/dbraw/zinc/83/91/50/617839150.db2.gz TWRQWXNSWQVCCA-SECBINFHSA-N 0 0 253.729 2.708 20 10 CFCDRN O=C(/C=C\C1CCOCC1)NCc1cccc(Cl)c1O ZINC000890760701 617839189 /nfs/dbraw/zinc/83/91/89/617839189.db2.gz WYDLIBGSAQREFL-PLNGDYQASA-N 0 0 295.766 2.645 20 10 CFCDRN CSC1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890759974 617839206 /nfs/dbraw/zinc/83/92/06/617839206.db2.gz XPUNOZNHJZDBEQ-UHFFFAOYSA-N 0 0 271.769 2.557 20 10 CFCDRN CC(C)[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760537 617839265 /nfs/dbraw/zinc/83/92/65/617839265.db2.gz SKPNPHBALXLJNY-VIFPVBQESA-N 0 0 255.745 2.954 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1C1CC1 ZINC000176188978 617849909 /nfs/dbraw/zinc/84/99/09/617849909.db2.gz DJNTZJWQJFEJLA-LSDHHAIUSA-N 0 0 285.387 2.933 20 10 CFCDRN Cc1ccc(C(=O)N(Cc2ccoc2)C2CC2)c(O)c1O ZINC000889093586 617685572 /nfs/dbraw/zinc/68/55/72/617685572.db2.gz VJUKQDNTNBJMBG-UHFFFAOYSA-N 0 0 287.315 2.804 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccnn2)cc1 ZINC000178249573 617708046 /nfs/dbraw/zinc/70/80/46/617708046.db2.gz QLIZYBLCUMAHIP-UHFFFAOYSA-N 0 0 299.378 2.645 20 10 CFCDRN CN(Cc1nccn1C1CC1)Cc1ccccc1O ZINC000891713465 617723457 /nfs/dbraw/zinc/72/34/57/617723457.db2.gz FTRNWSLVVBSIBA-UHFFFAOYSA-N 0 0 257.337 2.556 20 10 CFCDRN CCc1nc(C)cc(NCc2ccc(OC)cc2O)n1 ZINC000804681653 617802114 /nfs/dbraw/zinc/80/21/14/617802114.db2.gz BHTNDZJZZBZOII-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN CCn1cc(NCc2cccc(Br)c2O)cn1 ZINC000042411929 620755285 /nfs/dbraw/zinc/75/52/85/620755285.db2.gz XTIAGOFQXWBQJY-UHFFFAOYSA-N 0 0 296.168 2.983 20 10 CFCDRN CC/C=C(\C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000178436319 617845901 /nfs/dbraw/zinc/84/59/01/617845901.db2.gz BERLPOSHIYXVCY-RUYJGKKWSA-N 0 0 263.337 2.934 20 10 CFCDRN CCCNC(=O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806128298 617849528 /nfs/dbraw/zinc/84/95/28/617849528.db2.gz QPFPGUDPUDCGMZ-GFCCVEGCSA-N 0 0 284.787 2.613 20 10 CFCDRN C/C=C/C=C/C(=O)NCc1cc(Br)ccc1O ZINC000804735704 617856497 /nfs/dbraw/zinc/85/64/97/617856497.db2.gz HGNAYTXVGJCPJX-MQQKCMAXSA-N 0 0 296.164 2.903 20 10 CFCDRN C/C=C(\C)C(=O)NCc1cc(Br)ccc1O ZINC000804738181 617859217 /nfs/dbraw/zinc/85/92/17/617859217.db2.gz GADWKHUXPNQWSQ-FPYGCLRLSA-N 0 0 284.153 2.737 20 10 CFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)C(C)C ZINC000848100097 617884724 /nfs/dbraw/zinc/88/47/24/617884724.db2.gz ITTSUUJUUDJKBD-NSHDSACASA-N 0 0 265.353 2.913 20 10 CFCDRN CCCN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000077435134 617989502 /nfs/dbraw/zinc/98/95/02/617989502.db2.gz DJPQNJMXWCEAQF-UHFFFAOYSA-N 0 0 291.269 2.895 20 10 CFCDRN C[C@@H](NC(=O)Nc1ccnn1C1CC1)c1ccccc1O ZINC000934539366 618068357 /nfs/dbraw/zinc/06/83/57/618068357.db2.gz KZOMPRKHJSMMRY-SNVBAGLBSA-N 0 0 286.335 2.806 20 10 CFCDRN COc1ccc(N(C)CC(=O)c2cc(C)n(C)c2C)cc1 ZINC000049970780 618074515 /nfs/dbraw/zinc/07/45/15/618074515.db2.gz WVLSMVSLCAUTSY-UHFFFAOYSA-N 0 0 286.375 2.970 20 10 CFCDRN Cc1cccc2c(=O)[nH]c(CSc3nccs3)nc12 ZINC000048874904 618076563 /nfs/dbraw/zinc/07/65/63/618076563.db2.gz KLGCLUHFHNAEGP-UHFFFAOYSA-N 0 0 289.385 2.980 20 10 CFCDRN CCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000073746361 618086762 /nfs/dbraw/zinc/08/67/62/618086762.db2.gz LQXSCULWFXLBHS-UHFFFAOYSA-N 0 0 257.337 2.581 20 10 CFCDRN Cc1nc(C2(NCc3ccc4c(c3)CCO4)CCCC2)no1 ZINC000161377116 618089998 /nfs/dbraw/zinc/08/99/98/618089998.db2.gz FHGQHLUBEZVFRN-UHFFFAOYSA-N 0 0 299.374 2.872 20 10 CFCDRN CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C1 ZINC000092853724 618111190 /nfs/dbraw/zinc/11/11/90/618111190.db2.gz DKVGLMNQZYPRJG-UHFFFAOYSA-N 0 0 298.342 2.948 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840835725 618152777 /nfs/dbraw/zinc/15/27/77/618152777.db2.gz OSCNKVQHEWNSON-WDEREUQCSA-N 0 0 282.340 2.624 20 10 CFCDRN CC(C)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000849745250 618155634 /nfs/dbraw/zinc/15/56/34/618155634.db2.gz NEWGFMXGUNHFFS-ONRRBMGISA-N 0 0 250.294 2.699 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1=CCCCO1 ZINC000177936722 618155681 /nfs/dbraw/zinc/15/56/81/618155681.db2.gz BCQWBWMUTBOLGC-UHFFFAOYSA-N 0 0 287.359 2.582 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000934935929 618160898 /nfs/dbraw/zinc/16/08/98/618160898.db2.gz PIKDFHRBOMMNHE-FPMFFAJLSA-N 0 0 259.349 2.835 20 10 CFCDRN CS/C=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557773 618167648 /nfs/dbraw/zinc/16/76/48/618167648.db2.gz SHRDNWDPIWKFOO-LJTDUEICSA-N 0 0 292.448 2.985 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000933324384 618200589 /nfs/dbraw/zinc/20/05/89/618200589.db2.gz WOAMYXRUMCSFPJ-VOTSOKGWSA-N 0 0 279.343 2.512 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCCC2CC2)cc1 ZINC000076777072 618206001 /nfs/dbraw/zinc/20/60/01/618206001.db2.gz RSCZLMYZCQFTTE-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN C/C=C(/C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000255345423 618206299 /nfs/dbraw/zinc/20/62/99/618206299.db2.gz NGJHZIYTPCGVFY-CPSFFCFKSA-N 0 0 288.391 2.700 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)cc1F ZINC000176959480 618247473 /nfs/dbraw/zinc/24/74/73/618247473.db2.gz JJEBVKXICCYOEN-OLZOCXBDSA-N 0 0 276.355 2.554 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000893979527 618259122 /nfs/dbraw/zinc/25/91/22/618259122.db2.gz BWQAOPJWUWLCDW-UHFFFAOYSA-N 0 0 293.317 2.773 20 10 CFCDRN CCC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C)C1 ZINC000895077200 618265779 /nfs/dbraw/zinc/26/57/79/618265779.db2.gz CBXTUKUWYCSGRV-CYBMUJFWSA-N 0 0 284.350 2.587 20 10 CFCDRN CC[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000188283480 618268389 /nfs/dbraw/zinc/26/83/89/618268389.db2.gz GBZUZWQPPLIJQY-LBPRGKRZSA-N 0 0 292.404 2.656 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCOC[C@H]1c1ccco1 ZINC000894021181 618272328 /nfs/dbraw/zinc/27/23/28/618272328.db2.gz PPQCHWFDGQXVFG-ZDUSSCGKSA-N 0 0 295.285 2.837 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894034176 618276513 /nfs/dbraw/zinc/27/65/13/618276513.db2.gz LXOKOSZVFYGGKU-LLVKDONJSA-N 0 0 273.348 2.998 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000310536786 618320036 /nfs/dbraw/zinc/32/00/36/618320036.db2.gz PMJSMXYYRZRMII-GFCCVEGCSA-N 0 0 255.745 2.656 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000895149566 618390455 /nfs/dbraw/zinc/39/04/55/618390455.db2.gz LEXOUVKCBGQBPY-LBPRGKRZSA-N 0 0 275.245 2.902 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC000927768446 618422497 /nfs/dbraw/zinc/42/24/97/618422497.db2.gz QUIOIXZGMWGATH-SFHVURJKSA-N 0 0 296.370 2.591 20 10 CFCDRN NC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000020124947 618426656 /nfs/dbraw/zinc/42/66/56/618426656.db2.gz IDTFVEGLNFFZGI-UHFFFAOYSA-N 0 0 276.723 2.757 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cnccc2C)cc1C ZINC000162666861 618450443 /nfs/dbraw/zinc/45/04/43/618450443.db2.gz MHQOJLJOTPXSJT-UHFFFAOYSA-N 0 0 256.349 2.997 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccoc2)cc1 ZINC000177571838 618451954 /nfs/dbraw/zinc/45/19/54/618451954.db2.gz VDTUFUPCEATHBG-UHFFFAOYSA-N 0 0 286.375 2.937 20 10 CFCDRN Cc1cccc(CCNC(=O)NCc2ccccc2O)c1 ZINC000726250904 618456106 /nfs/dbraw/zinc/45/61/06/618456106.db2.gz KKZZXLWXUDYBFJ-UHFFFAOYSA-N 0 0 284.359 2.743 20 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Nc1ccc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000841298487 618601527 /nfs/dbraw/zinc/60/15/27/618601527.db2.gz QAKSKYJUTXPSJM-HUUCEWRRSA-N 0 0 271.364 2.921 20 10 CFCDRN CN(C)c1ccc(CN(C)Cn2cc(Cl)cn2)cc1 ZINC000066349776 618607260 /nfs/dbraw/zinc/60/72/60/618607260.db2.gz YPZBBPMUHNAWPB-UHFFFAOYSA-N 0 0 278.787 2.692 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(F)n1 ZINC000901436749 620820369 /nfs/dbraw/zinc/82/03/69/620820369.db2.gz ZZRLDSGXIINWNY-PKNBQFBNSA-N 0 0 291.351 2.677 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(C)C ZINC000840881775 618630835 /nfs/dbraw/zinc/63/08/35/618630835.db2.gz JEZHOIXYPBCKLV-VZJVUDMVSA-N 0 0 296.367 2.747 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cccc2nncn21 ZINC000892564114 618634610 /nfs/dbraw/zinc/63/46/10/618634610.db2.gz NMKFSIGIZCHBBD-UHFFFAOYSA-N 0 0 281.363 2.716 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(O)c1O ZINC000182324772 625285472 /nfs/dbraw/zinc/28/54/72/625285472.db2.gz UOTSGGNOYQOEGK-UHFFFAOYSA-N 0 0 286.262 2.669 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(F)(F)CC ZINC000935944888 618713621 /nfs/dbraw/zinc/71/36/21/618713621.db2.gz BVFWZVZLZPJYBL-UHFFFAOYSA-N 0 0 278.295 2.539 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc(F)cc1Cl ZINC000178296250 618741846 /nfs/dbraw/zinc/74/18/46/618741846.db2.gz JCBPYLPXFQRAMU-BAQGIRSFSA-N 0 0 273.741 2.968 20 10 CFCDRN CC/C(C)=C(\C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616801 618786425 /nfs/dbraw/zinc/78/64/25/618786425.db2.gz ZVCGJJBWTZLAIG-MDZDMXLPSA-N 0 0 278.304 2.570 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc(C)o2)c1 ZINC000182411721 625296048 /nfs/dbraw/zinc/29/60/48/625296048.db2.gz AJCCIXLXPRIYGV-RKDXNWHRSA-N 0 0 277.324 2.504 20 10 CFCDRN COc1ccc(CNc2ccc(C)nc2)c(O)c1OC ZINC000893144905 618846538 /nfs/dbraw/zinc/84/65/38/618846538.db2.gz BSXGDAWVDBFDFM-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC000180586468 618864596 /nfs/dbraw/zinc/86/45/96/618864596.db2.gz DJMCZBSNLGBIDU-SOFGYWHQSA-N 0 0 281.311 2.700 20 10 CFCDRN CN(Cc1cccc2nccn21)c1ccc2c(c1)OCO2 ZINC000180760107 618867867 /nfs/dbraw/zinc/86/78/67/618867867.db2.gz STOACHAMUSTMIY-UHFFFAOYSA-N 0 0 281.315 2.699 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2ccc(O)c(O)c2)c(C)c1 ZINC000182533265 618897639 /nfs/dbraw/zinc/89/76/39/618897639.db2.gz WHECHINBEZZRRV-UHFFFAOYSA-N 0 0 285.343 2.953 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cnccn2)c1 ZINC000184724210 618918370 /nfs/dbraw/zinc/91/83/70/618918370.db2.gz JCTIDAMKJBFJQZ-MNOVXSKESA-N 0 0 273.336 2.603 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cc(Cl)cs1 ZINC000195221308 618948207 /nfs/dbraw/zinc/94/82/07/618948207.db2.gz BKPZOFSBGWDTHQ-KXFIGUGUSA-N 0 0 261.780 2.890 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(F)cc1[O-] ZINC000313059307 618973639 /nfs/dbraw/zinc/97/36/39/618973639.db2.gz DXFJUKSWCONQRK-RNCFNFMXSA-N 0 0 253.317 2.607 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC(F)(F)C2)c1O ZINC000313302860 618979981 /nfs/dbraw/zinc/97/99/81/618979981.db2.gz AAGZYZUVCGMMJV-UHFFFAOYSA-N 0 0 277.698 2.895 20 10 CFCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)S1 ZINC000070387975 625308545 /nfs/dbraw/zinc/30/85/45/625308545.db2.gz KICSUACTCLXNNE-AOOOYVTPSA-N 0 0 265.382 2.627 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c(F)cccc1F ZINC000081943186 619065526 /nfs/dbraw/zinc/06/55/26/619065526.db2.gz OSNKHIUVBVUZCG-UHFFFAOYSA-N 0 0 277.270 2.943 20 10 CFCDRN C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310138616 619082060 /nfs/dbraw/zinc/08/20/60/619082060.db2.gz BSILSYBKRSSFHH-CPCISQLKSA-N 0 0 275.179 2.621 20 10 CFCDRN CCn1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000840954396 619130145 /nfs/dbraw/zinc/13/01/45/619130145.db2.gz DTYHJFIPHWSDGP-UHFFFAOYSA-N 0 0 283.734 2.691 20 10 CFCDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1O ZINC000319015857 619167303 /nfs/dbraw/zinc/16/73/03/619167303.db2.gz CSWJKAJFPUMICB-JXMROGBWSA-N 0 0 298.298 2.630 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]1C1CCCC1 ZINC000889405188 619178459 /nfs/dbraw/zinc/17/84/59/619178459.db2.gz KVCNLTPLVOTQPG-OWNNVSBGSA-N 0 0 287.359 2.902 20 10 CFCDRN C[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000235121699 619189797 /nfs/dbraw/zinc/18/97/97/619189797.db2.gz SXZLPBKKQYHZRY-ZETCQYMHSA-N 0 0 261.247 2.731 20 10 CFCDRN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978071 619207268 /nfs/dbraw/zinc/20/72/68/619207268.db2.gz KZMURXFESCAXBV-VHSXEESVSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000893929382 619246159 /nfs/dbraw/zinc/24/61/59/619246159.db2.gz PVJPAROAXJBAJL-SNVBAGLBSA-N 0 0 283.318 2.671 20 10 CFCDRN C[C@H](NC(=O)c1ncccc1F)c1ccc(N(C)C)cc1 ZINC000832430213 625331634 /nfs/dbraw/zinc/33/16/34/625331634.db2.gz AUONNMDXDGZHMG-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN C[C@@H](NC(=O)CCc1ccon1)c1ccc(N(C)C)cc1 ZINC000832430636 625332144 /nfs/dbraw/zinc/33/21/44/625332144.db2.gz GRKVQUUQOIQIKW-GFCCVEGCSA-N 0 0 287.363 2.551 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC=CO1 ZINC000894330432 619336011 /nfs/dbraw/zinc/33/60/11/619336011.db2.gz 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/nfs/dbraw/zinc/62/60/06/619626006.db2.gz JTOBUULIBHIGJM-UHFFFAOYSA-N 0 0 275.392 2.876 20 10 CFCDRN C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000896578237 619765803 /nfs/dbraw/zinc/76/58/03/619765803.db2.gz HHCSXPLQVMBXIF-LLVKDONJSA-N 0 0 284.350 2.642 20 10 CFCDRN C[C@]1(Br)C[C@@H]1C[NH2+]Cc1c([O-])cccc1F ZINC000896644813 619778216 /nfs/dbraw/zinc/77/82/16/619778216.db2.gz ZKHITANNLOYWPZ-PELKAZGASA-N 0 0 288.160 2.794 20 10 CFCDRN Cc1c(Cl)c(CNCc2c(O)cccc2F)nn1C ZINC000896636909 619780071 /nfs/dbraw/zinc/78/00/71/619780071.db2.gz GMTMVIZFXWPDLO-UHFFFAOYSA-N 0 0 283.734 2.516 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896637694 619780214 /nfs/dbraw/zinc/78/02/14/619780214.db2.gz LHASMJXDGATFLZ-WDEREUQCSA-N 0 0 253.317 2.579 20 10 CFCDRN COC[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])cccc1F ZINC000896637944 619780369 /nfs/dbraw/zinc/78/03/69/619780369.db2.gz SEJYFPFMQLUMBI-AWEZNQCLSA-N 0 0 289.350 2.879 20 10 CFCDRN COC1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637190 619780610 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[NH3+][C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000041027848 620425871 /nfs/dbraw/zinc/42/58/71/620425871.db2.gz NVZXFHBCFSPNNC-SNVBAGLBSA-N 0 0 275.179 2.622 20 10 CFCDRN CC(C)(C)C(C)(C)NC(=O)c1cccc(O)c1O ZINC000311051630 620435563 /nfs/dbraw/zinc/43/55/63/620435563.db2.gz GXNWGVOABLHVJU-UHFFFAOYSA-N 0 0 251.326 2.652 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000898880036 620498558 /nfs/dbraw/zinc/49/85/58/620498558.db2.gz NIDMNOAZVHVYGX-BXUZGUMPSA-N 0 0 272.348 2.772 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCOC3(CCC3)C2)c1 ZINC000899134115 620523363 /nfs/dbraw/zinc/52/33/63/620523363.db2.gz UNKHUYBQAPZLIY-CYBMUJFWSA-N 0 0 289.375 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC000899134417 620523399 /nfs/dbraw/zinc/52/33/99/620523399.db2.gz WUSAWEPMGQWTEB-AWEZNQCLSA-N 0 0 289.375 2.809 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C=CCC2)cc1 ZINC000899199346 620530327 /nfs/dbraw/zinc/53/03/27/620530327.db2.gz IBNPTZRMEUOYAA-SNVBAGLBSA-N 0 0 272.308 2.545 20 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Clc1cnc(SCc2[nH]nc3c2COCC3)s1 ZINC000901580781 620868704 /nfs/dbraw/zinc/86/87/04/620868704.db2.gz FQAHMUSVLLATKA-UHFFFAOYSA-N 0 0 287.797 2.885 20 10 CFCDRN COCc1nccc(NCc2cc(C)c(C)cc2O)n1 ZINC000902139078 620980695 /nfs/dbraw/zinc/98/06/95/620980695.db2.gz NOQUXNFUORAGLS-UHFFFAOYSA-N 0 0 273.336 2.558 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000902704711 621153256 /nfs/dbraw/zinc/15/32/56/621153256.db2.gz IRJIJODYJTUFNC-UHFFFAOYSA-N 0 0 277.755 2.867 20 10 CFCDRN CC(C)(CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000832665812 625469364 /nfs/dbraw/zinc/46/93/64/625469364.db2.gz JABXDOPRDQBGMI-UHFFFAOYSA-N 0 0 267.272 2.915 20 10 CFCDRN Cc1ccc(F)c2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC000903239271 621294263 /nfs/dbraw/zinc/29/42/63/621294263.db2.gz JPVUGSWHKJJZEH-SOFGYWHQSA-N 0 0 299.349 2.860 20 10 CFCDRN CO[C@@]1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCSC1 ZINC000903316966 621330251 /nfs/dbraw/zinc/33/02/51/621330251.db2.gz RGLQMGVACVNHFK-IINYFYTJSA-N 0 0 285.384 2.704 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000903393463 621352488 /nfs/dbraw/zinc/35/24/88/621352488.db2.gz NNPPPJVLVJAOPY-TVYUQYBPSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903436110 621374343 /nfs/dbraw/zinc/37/43/43/621374343.db2.gz GXLKRTLXZPUCNB-ORUWWINDSA-N 0 0 283.318 2.746 20 10 CFCDRN Cc1cccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183429647 625488398 /nfs/dbraw/zinc/48/83/98/625488398.db2.gz ZZQQKDGWWZOVHH-ZDUSSCGKSA-N 0 0 299.370 2.696 20 10 CFCDRN Cc1nnc(NCc2cc(F)cc(F)c2O)n1C1CC1 ZINC000905413761 621762768 /nfs/dbraw/zinc/76/27/68/621762768.db2.gz UELAZLVIKQLUKK-UHFFFAOYSA-N 0 0 280.278 2.517 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000043430153 622103266 /nfs/dbraw/zinc/10/32/66/622103266.db2.gz CAAPBSROTGDNNF-MRXNPFEDSA-N 0 0 290.407 2.876 20 10 CFCDRN O=S(=O)(CCc1ccccc1)Nc1ccc(O)cc1F ZINC000149451868 622159774 /nfs/dbraw/zinc/15/97/74/622159774.db2.gz OVEASLDACBRBHT-UHFFFAOYSA-N 0 0 295.335 2.516 20 10 CFCDRN Cc1ccc(C(=O)N(CC(F)(F)F)C2CC2)c(O)c1O ZINC000908272324 622210395 /nfs/dbraw/zinc/21/03/95/622210395.db2.gz VHKSDSPZEASUEI-UHFFFAOYSA-N 0 0 289.253 2.573 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000910950062 622488650 /nfs/dbraw/zinc/48/86/50/622488650.db2.gz BHOYMAKZMXSRSL-GDBMZVCRSA-N 0 0 297.354 2.593 20 10 CFCDRN O=C(/C=C/C1CCCCC1)NCc1ccc(O)cc1O ZINC000910950172 622488803 /nfs/dbraw/zinc/48/88/03/622488803.db2.gz DOSGVUNHOJEFPY-RMKNXTFCSA-N 0 0 275.348 2.851 20 10 CFCDRN O=C(C=C1CCCCC1)NCc1ccc(O)cc1O ZINC000910951942 622489133 /nfs/dbraw/zinc/48/91/33/622489133.db2.gz MIWQEKQAOIVZBS-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910951922 622489294 /nfs/dbraw/zinc/48/92/94/622489294.db2.gz YMMDWVSXAANNBT-GHMZBOCLSA-N 0 0 263.337 2.540 20 10 CFCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(O)cc1O ZINC000910951061 622489367 /nfs/dbraw/zinc/48/93/67/622489367.db2.gz OMWCYPCJOYRJRV-GFCCVEGCSA-N 0 0 295.379 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20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3ccnc(C)n3)C2)cc1 ZINC000819936243 622576378 /nfs/dbraw/zinc/57/63/78/622576378.db2.gz QOSQZDMPSGCARQ-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3ncc(C)cn3)C2)cc1 ZINC000819935924 622576644 /nfs/dbraw/zinc/57/66/44/622576644.db2.gz OWHDNQOPPZZZEV-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncc[nH]2)cc1 ZINC000819974476 622590248 /nfs/dbraw/zinc/59/02/48/622590248.db2.gz MOFCEJXLSKUHBX-UHFFFAOYSA-N 0 0 286.379 2.528 20 10 CFCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000820409722 622666519 /nfs/dbraw/zinc/66/65/19/622666519.db2.gz ZJPOITDKONZQDC-UWVGGRQHSA-N 0 0 274.324 2.577 20 10 CFCDRN CSC(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820458035 622680668 /nfs/dbraw/zinc/68/06/68/622680668.db2.gz SJIKCZUCIFCITI-UHFFFAOYSA-N 0 0 294.380 2.720 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OCC2CC2)cc1 ZINC000184300518 625587024 /nfs/dbraw/zinc/58/70/24/625587024.db2.gz SQVKVGBGMASWOO-UHFFFAOYSA-N 0 0 262.353 2.731 20 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/nfs/dbraw/zinc/79/93/56/624799356.db2.gz VFMWXHMIVRXYLZ-JOYOIKCWSA-N 0 0 266.316 2.519 20 10 CFCDRN CC1(CNC(=O)NCc2c(O)cccc2F)CCC1 ZINC000921352357 624855382 /nfs/dbraw/zinc/85/53/82/624855382.db2.gz LIXZCDAEQAGAQX-UHFFFAOYSA-N 0 0 266.316 2.521 20 10 CFCDRN Cc1ccc(C(=O)NCc2cc(F)ccc2F)c(O)c1O ZINC000179482434 624964670 /nfs/dbraw/zinc/96/46/70/624964670.db2.gz JYPGODZBFHTXMQ-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000237658600 624969635 /nfs/dbraw/zinc/96/96/35/624969635.db2.gz VWMHQSAZQGOITA-AWEZNQCLSA-N 0 0 298.386 2.703 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cscn2)cc1 ZINC000170870423 624983692 /nfs/dbraw/zinc/98/36/92/624983692.db2.gz OIHPDHUJBMYZLR-UHFFFAOYSA-N 0 0 289.404 2.919 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000237924710 624987827 /nfs/dbraw/zinc/98/78/27/624987827.db2.gz RMBUCHQCZXWFLK-UHFFFAOYSA-N 0 0 294.310 2.556 20 10 CFCDRN COc1cccc(CNC(=O)CCc2ccccc2)c1O ZINC000068488723 625002771 /nfs/dbraw/zinc/00/27/71/625002771.db2.gz GFTHLTGZBOQOBP-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 ZINC000180592239 625029351 /nfs/dbraw/zinc/02/93/51/625029351.db2.gz DPJANDNSRCTOOC-QPJJXVBHSA-N 0 0 285.299 2.764 20 10 CFCDRN Cc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180628131 625030413 /nfs/dbraw/zinc/03/04/13/625030413.db2.gz RDBQZHHFICLGGL-SOFGYWHQSA-N 0 0 283.327 2.736 20 10 CFCDRN COc1ccc(N(CC[C@@H]2CCOC2=O)CC2CC2)cc1 ZINC000831587485 625061300 /nfs/dbraw/zinc/06/13/00/625061300.db2.gz BFOLUUICRLDHAX-CQSZACIVSA-N 0 0 289.375 2.865 20 10 CFCDRN COc1ccc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)c(O)c1 ZINC000831618233 625073042 /nfs/dbraw/zinc/07/30/42/625073042.db2.gz VBAIGIJJUMKAFV-ZBEGNZNMSA-N 0 0 277.364 2.843 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](O)CC ZINC000831910098 625174163 /nfs/dbraw/zinc/17/41/63/625174163.db2.gz XVYCOTJSMWBNBZ-AWEZNQCLSA-N 0 0 279.380 2.682 20 10 CFCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H]2CCCC[C@H]12 ZINC000831939467 625188945 /nfs/dbraw/zinc/18/89/45/625188945.db2.gz WJRLTPSZPXWCGS-WQVCFCJDSA-N 0 0 272.392 2.848 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000181886705 625228411 /nfs/dbraw/zinc/22/84/11/625228411.db2.gz QVMDTGOAMCKFGI-SYTKJHMZSA-N 0 0 280.327 2.951 20 10 CFCDRN Cc1ccc(C(=O)N(C)c2ccc(F)cc2)c(O)c1O ZINC000182145314 625261015 /nfs/dbraw/zinc/26/10/15/625261015.db2.gz WOMPCECGKSMZDO-UHFFFAOYSA-N 0 0 275.279 2.822 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185433779 625725762 /nfs/dbraw/zinc/72/57/62/625725762.db2.gz CIYFYGMJPNKJBW-IINYFYTJSA-N 0 0 255.333 2.589 20 10 CFCDRN CN1CCCc2cc(CNC(=O)Cc3ccco3)ccc21 ZINC000268789141 625750449 /nfs/dbraw/zinc/75/04/49/625750449.db2.gz FDXHVRNXAMRSQN-UHFFFAOYSA-N 0 0 284.359 2.521 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000840763408 625906044 /nfs/dbraw/zinc/90/60/44/625906044.db2.gz GPRVNUAPZPEAFG-IEBDPFPHSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000834875480 625906809 /nfs/dbraw/zinc/90/68/09/625906809.db2.gz PULXBMBHWJPSMV-PELKAZGASA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834879032 625907560 /nfs/dbraw/zinc/90/75/60/625907560.db2.gz VVELQLWGLTXYPQ-ZJUUUORDSA-N 0 0 273.323 2.872 20 10 CFCDRN O=C(NC(C1CCC1)C1CCC1)c1cccc(O)c1O ZINC000325341181 625907773 /nfs/dbraw/zinc/90/77/73/625907773.db2.gz DRVICXBZKYQECD-UHFFFAOYSA-N 0 0 275.348 2.796 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834886846 625909742 /nfs/dbraw/zinc/90/97/42/625909742.db2.gz ORRVQFYPZYEBRK-MRCXROJRSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000834895621 625912589 /nfs/dbraw/zinc/91/25/89/625912589.db2.gz CJVGSRQYYNBGQA-VHSXEESVSA-N 0 0 295.333 2.686 20 10 CFCDRN CC[C@@H]([NH2+]C(COC)COC)c1cccc(Cl)c1[O-] ZINC000834894016 625912768 /nfs/dbraw/zinc/91/27/68/625912768.db2.gz 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/nfs/dbraw/zinc/32/94/07/626329407.db2.gz VNGQJFBXLBWRTH-CYBMUJFWSA-N 0 0 288.395 2.763 20 10 CFCDRN CN(C)c1ccc(/C=C/CNc2nncn2C2CC2)cc1 ZINC000922660027 626336267 /nfs/dbraw/zinc/33/62/67/626336267.db2.gz RWMQXVZSRYXDAG-ONEGZZNKSA-N 0 0 283.379 2.804 20 10 CFCDRN CCN(CC)c1ccc(CNc2nncn2CC)cc1 ZINC000922660366 626336306 /nfs/dbraw/zinc/33/63/06/626336306.db2.gz QHAZJOKXYNDWSV-UHFFFAOYSA-N 0 0 273.384 2.756 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922720927 626352266 /nfs/dbraw/zinc/35/22/66/626352266.db2.gz NJQOGLWYLDAINQ-AXFHLTTASA-N 0 0 297.757 2.865 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000922849507 626381690 /nfs/dbraw/zinc/38/16/90/626381690.db2.gz KWTFQTXDBVJUNN-ZFWWWQNUSA-N 0 0 280.343 2.765 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000186947345 626407024 /nfs/dbraw/zinc/40/70/24/626407024.db2.gz JGCVPFCEJSVDCH-JTQLQIEISA-N 0 0 269.300 2.862 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccnc2ccncc21 ZINC000186961624 626408196 /nfs/dbraw/zinc/40/81/96/626408196.db2.gz UFCGSADMTUMKRH-UHFFFAOYSA-N 0 0 293.326 2.608 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922898263 626422582 /nfs/dbraw/zinc/42/25/82/626422582.db2.gz XIJOTBFWUUICIN-NHYWBVRUSA-N 0 0 297.345 2.965 20 10 CFCDRN Cn1nc(CNCc2ccc3c(c2)CCO3)cc1C1CC1 ZINC000922953662 626431132 /nfs/dbraw/zinc/43/11/32/626431132.db2.gz DYFYWFWQJQHAHI-UHFFFAOYSA-N 0 0 283.375 2.522 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCC3)c1[O-] ZINC000923022935 626443079 /nfs/dbraw/zinc/44/30/79/626443079.db2.gz BRTYDDNOPHXFHV-NOZJJQNGSA-N 0 0 282.727 2.986 20 10 CFCDRN CCC[C@H](C)c1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000187129453 626460598 /nfs/dbraw/zinc/46/05/98/626460598.db2.gz AEXHKVODZWQHOI-VIFPVBQESA-N 0 0 289.335 2.977 20 10 CFCDRN CSc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000838324559 626493380 /nfs/dbraw/zinc/49/33/80/626493380.db2.gz CTAICGHSFCBQOJ-UWVGGRQHSA-N 0 0 265.403 2.738 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCC1CC(F)(F)C1 ZINC000838732258 626504554 /nfs/dbraw/zinc/50/45/54/626504554.db2.gz CFAFLNDXWNGESZ-UHFFFAOYSA-N 0 0 298.333 2.969 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000103239878 626511415 /nfs/dbraw/zinc/51/14/15/626511415.db2.gz GPTLSVVDXZDPDE-UHFFFAOYSA-N 0 0 298.346 2.724 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839137315 626528071 /nfs/dbraw/zinc/52/80/71/626528071.db2.gz DWNMTPGYHYNIGQ-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000839192777 626530887 /nfs/dbraw/zinc/53/08/87/626530887.db2.gz WRFFMNHUPQNIHS-CQSZACIVSA-N 0 0 284.407 2.871 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000806140813 626541927 /nfs/dbraw/zinc/54/19/27/626541927.db2.gz BXBFSPUCOATLTA-STQMWFEESA-N 0 0 296.798 2.707 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000756990833 626543118 /nfs/dbraw/zinc/54/31/18/626543118.db2.gz TUBIMEWOTYILQN-UHFFFAOYSA-N 0 0 276.336 2.970 20 10 CFCDRN O=C(NCc1ccccc1O)NCC12CCC(CC1)C2 ZINC000757053963 626544186 /nfs/dbraw/zinc/54/41/86/626544186.db2.gz VVOIBKORKDZZRJ-UHFFFAOYSA-N 0 0 274.364 2.772 20 10 CFCDRN CCCN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000840824811 626548732 /nfs/dbraw/zinc/54/87/32/626548732.db2.gz OTYJNLPPCCRBDS-GOSISDBHSA-N 0 0 296.370 2.900 20 10 CFCDRN CCN(C)c1ccc(CN[C@@H](C)c2csnn2)cc1 ZINC000839661479 626550249 /nfs/dbraw/zinc/55/02/49/626550249.db2.gz CIEPYLUHQIIEBF-NSHDSACASA-N 0 0 276.409 2.845 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000839783444 626555386 /nfs/dbraw/zinc/55/53/86/626555386.db2.gz ZEDNRBLUVNDHRV-WCQYABFASA-N 0 0 263.362 2.714 20 10 CFCDRN COC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000757639785 626557000 /nfs/dbraw/zinc/55/70/00/626557000.db2.gz UQPNTDAWYFDZQW-VIFPVBQESA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(N(C)C)cc1 ZINC000757702972 626559232 /nfs/dbraw/zinc/55/92/32/626559232.db2.gz HBKQEROWJYXWHZ-BBRMVZONSA-N 0 0 290.407 2.826 20 10 CFCDRN CN(C)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 ZINC000757717355 626560635 /nfs/dbraw/zinc/56/06/35/626560635.db2.gz GALVSGCYLXKBQU-UHFFFAOYSA-N 0 0 284.359 2.794 20 10 CFCDRN CCOc1ccc(CN(CC)CC(F)F)c(O)c1 ZINC000757939673 626569204 /nfs/dbraw/zinc/56/92/04/626569204.db2.gz VFLIIWJDTKBIEW-UHFFFAOYSA-N 0 0 259.296 2.878 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000758525754 626597006 /nfs/dbraw/zinc/59/70/06/626597006.db2.gz PPKIJGGCZPHKRL-ZDUSSCGKSA-N 0 0 262.309 2.723 20 10 CFCDRN CCCc1nc(COC(=O)c2cccc(O)c2O)cs1 ZINC000758572343 626598739 /nfs/dbraw/zinc/59/87/39/626598739.db2.gz LAJLHEYRJCYSQR-UHFFFAOYSA-N 0 0 293.344 2.864 20 10 CFCDRN Cc1cnc([C@@H](C)CNC(=O)C2=CC(=O)CS2)s1 ZINC000758776912 626608432 /nfs/dbraw/zinc/60/84/32/626608432.db2.gz MUARIDPUJREWEL-ZETCQYMHSA-N 0 0 282.390 2.752 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)[C@@H]1CCCCO1 ZINC000759093160 626628404 /nfs/dbraw/zinc/62/84/04/626628404.db2.gz JJBXHPUKXPNQMA-LBPRGKRZSA-N 0 0 283.393 2.779 20 10 CFCDRN Cc1ncc(COC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000759581017 626673166 /nfs/dbraw/zinc/67/31/66/626673166.db2.gz SMROYBDUIXBNJE-HWKANZROSA-N 0 0 291.328 2.619 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC/C(Cl)=C\Cl ZINC000759594135 626674359 /nfs/dbraw/zinc/67/43/59/626674359.db2.gz LMIABHBASJNVIJ-PPVYKKJJSA-N 0 0 289.114 2.973 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@@H]1CCCCO1 ZINC000759590821 626674371 /nfs/dbraw/zinc/67/43/71/626674371.db2.gz XXTFOHBRKVHALF-IYNGYCSASA-N 0 0 292.331 2.613 20 10 CFCDRN CC(C)CN(C)C(=O)NCCCSc1nccs1 ZINC000759601335 626674952 /nfs/dbraw/zinc/67/49/52/626674952.db2.gz IEWYMFBYNODSBG-UHFFFAOYSA-N 0 0 287.454 2.923 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1F ZINC000759766016 626689817 /nfs/dbraw/zinc/68/98/17/626689817.db2.gz FDBZIKFHEATTKO-GFCCVEGCSA-N 0 0 276.355 2.698 20 10 CFCDRN CC(C)Oc1ccc(N(C)CCn2ccccc2=O)cc1 ZINC000759932454 626703281 /nfs/dbraw/zinc/70/32/81/626703281.db2.gz FZPQFIWLFJGSNX-UHFFFAOYSA-N 0 0 286.375 2.772 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2=CCCC2)cc1 ZINC000760322209 626734291 /nfs/dbraw/zinc/73/42/91/626734291.db2.gz XTAZBKZBFBUZHM-UHFFFAOYSA-N 0 0 258.365 2.821 20 10 CFCDRN CCN(Cc1ncc(C)cn1)c1ccc(OC)cc1 ZINC000760851615 626778038 /nfs/dbraw/zinc/77/80/38/626778038.db2.gz OMWGFQUIBMQPFL-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(F)F)c1O ZINC000761120034 626807817 /nfs/dbraw/zinc/80/78/17/626807817.db2.gz RAEBGAMJLGMWMP-LBPRGKRZSA-N 0 0 287.281 2.963 20 10 CFCDRN C[N@H+](CCc1cnccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000761216512 626816525 /nfs/dbraw/zinc/81/65/25/626816525.db2.gz ZWIRTRYECLAWKC-UHFFFAOYSA-N 0 0 295.745 2.649 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)n[nH]c2C)cc1OC ZINC000761223304 626817556 /nfs/dbraw/zinc/81/75/56/626817556.db2.gz ZIWFMRHCWJSCMC-UHFFFAOYSA-N 0 0 275.352 2.680 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)=C(C)C)c1 ZINC000761981865 626877214 /nfs/dbraw/zinc/87/72/14/626877214.db2.gz JCGKFLHSFUVFOT-LLVKDONJSA-N 0 0 263.337 2.934 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000762275521 626908819 /nfs/dbraw/zinc/90/88/19/626908819.db2.gz SLCPSXXUOKNXHY-TZMCWYRMSA-N 0 0 291.391 2.973 20 10 CFCDRN Fc1ccc(CNC(=S)Nc2ccccc2)nc1 ZINC000763163297 626967302 /nfs/dbraw/zinc/96/73/02/626967302.db2.gz ICRJGUACXMEYEA-UHFFFAOYSA-N 0 0 261.325 2.707 20 10 CFCDRN COc1ccccc1NC(=S)NCc1ccc(F)cn1 ZINC000763165425 626967675 /nfs/dbraw/zinc/96/76/75/626967675.db2.gz HSTYFUGQEMZLIB-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN C/C=C/C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OCC ZINC000763361757 626982695 /nfs/dbraw/zinc/98/26/95/626982695.db2.gz LZNSWGSMBWIQTA-SJDLMVEWSA-N 0 0 289.375 2.609 20 10 CFCDRN C/C=C\C[C@@H](NCc1ccc(OC)c(C)c1)C(=O)OCC ZINC000763362639 626983131 /nfs/dbraw/zinc/98/31/31/626983131.db2.gz CGZDPZRCBVIJPA-ZQMJAJRESA-N 0 0 291.391 2.991 20 10 CFCDRN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000763673548 627004926 /nfs/dbraw/zinc/00/49/26/627004926.db2.gz GXOPZIBOUKFLTO-UFBFGSQYSA-N 0 0 273.735 2.699 20 10 CFCDRN CCN(C[C@@H](OC)[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000851828505 634550127 /nfs/dbraw/zinc/55/01/27/634550127.db2.gz QVQLSPUBGXVPCJ-XJKSGUPXSA-N 0 0 279.380 2.573 20 10 CFCDRN CCn1ncc(CN(CC(C)C)c2ccc(OC)cc2)n1 ZINC000851830469 634550183 /nfs/dbraw/zinc/55/01/83/634550183.db2.gz WWJHNYMSPMDTIT-UHFFFAOYSA-N 0 0 288.395 2.969 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCCOC2)cc1F ZINC000768529621 627351174 /nfs/dbraw/zinc/35/11/74/627351174.db2.gz ADTOYXQIBYSMLG-LLVKDONJSA-N 0 0 253.317 2.697 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2c(O)cccc21 ZINC000768664220 627362474 /nfs/dbraw/zinc/36/24/74/627362474.db2.gz NWTDGNCQSTUKGK-NNNHXZLVSA-N 0 0 297.358 2.679 20 10 CFCDRN CC1(C)CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000768765628 627370139 /nfs/dbraw/zinc/37/01/39/627370139.db2.gz FDAUJJCIVGZUHS-GFCCVEGCSA-N 0 0 262.353 2.770 20 10 CFCDRN CCc1nocc1CN1CCOc2cc(N(C)C)ccc21 ZINC000851881404 634569614 /nfs/dbraw/zinc/56/96/14/634569614.db2.gz LEOGSLMKWWWSDF-UHFFFAOYSA-N 0 0 287.363 2.702 20 10 CFCDRN C[C@H](CCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000768952680 627389774 /nfs/dbraw/zinc/38/97/74/627389774.db2.gz NLDQLXYLWXHYSM-SNVBAGLBSA-N 0 0 264.325 2.969 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CC2CCC1CC2 ZINC000769086383 627401783 /nfs/dbraw/zinc/40/17/83/627401783.db2.gz LQPLTBHRDDFNDH-ORHYLEIMSA-N 0 0 274.364 2.770 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769104883 627403027 /nfs/dbraw/zinc/40/30/27/627403027.db2.gz KMKWSYQYSHZIIB-OCCSQVGLSA-N 0 0 280.387 2.891 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(-c2ccco2)on1 ZINC000769366385 627428321 /nfs/dbraw/zinc/42/83/21/627428321.db2.gz YLYQVDNTBROCJM-UHFFFAOYSA-N 0 0 284.271 2.570 20 10 CFCDRN Cc1ncc(C(=O)NCc2ccccc2O)c(C(C)C)n1 ZINC000769362949 627428455 /nfs/dbraw/zinc/42/84/55/627428455.db2.gz AVPLIOIEXIEZKU-UHFFFAOYSA-N 0 0 285.347 2.544 20 10 CFCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769514309 627450145 /nfs/dbraw/zinc/45/01/45/627450145.db2.gz IYGZDMJXFKVSBT-RYUDHWBXSA-N 0 0 281.783 2.904 20 10 CFCDRN CCN1C(=O)/C(=C/c2cccc3nccn32)SC1=S ZINC000769601738 627460353 /nfs/dbraw/zinc/46/03/53/627460353.db2.gz KBTOMTVPQTVVFG-NTMALXAHSA-N 0 0 289.385 2.555 20 10 CFCDRN C[C@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000769615338 627461208 /nfs/dbraw/zinc/46/12/08/627461208.db2.gz ZDWDKGWZEFAUDC-QEJZJMRPSA-N 0 0 289.375 2.556 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)CCC2CC2)c(O)c1O ZINC000769644913 627463164 /nfs/dbraw/zinc/46/31/64/627463164.db2.gz JLYRJXKRFKFXDZ-SNVBAGLBSA-N 0 0 263.337 2.715 20 10 CFCDRN CN(C)c1ccnc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000770445492 627522692 /nfs/dbraw/zinc/52/26/92/627522692.db2.gz VUTBGPZRKUXFOO-UHFFFAOYSA-N 0 0 297.406 2.755 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000771438323 627604176 /nfs/dbraw/zinc/60/41/76/627604176.db2.gz GRKKLWWMHYLOHX-ZDUSSCGKSA-N 0 0 299.374 2.998 20 10 CFCDRN CN(C)c1ccc(CNc2nnc3ccccn32)cc1F ZINC000771758200 627629275 /nfs/dbraw/zinc/62/92/75/627629275.db2.gz XOTHUZBHCZLDMY-UHFFFAOYSA-N 0 0 285.326 2.547 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(F)CCCC1 ZINC000772063591 627669440 /nfs/dbraw/zinc/66/94/40/627669440.db2.gz GJFIUPOBMAQHQO-UHFFFAOYSA-N 0 0 278.371 2.960 20 10 CFCDRN COc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772295507 627698388 /nfs/dbraw/zinc/69/83/88/627698388.db2.gz HAUBHSGLMGYFKE-LLVKDONJSA-N 0 0 272.352 2.724 20 10 CFCDRN C[C@@H](NC(=O)C(C)(C)F)c1ccc(N(C)C)cc1 ZINC000772998867 627766671 /nfs/dbraw/zinc/76/66/71/627766671.db2.gz KUNXQJHMQCVIMR-SNVBAGLBSA-N 0 0 252.333 2.678 20 10 CFCDRN C[C@H](NC(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773008568 627767507 /nfs/dbraw/zinc/76/75/07/627767507.db2.gz GDZIAZVXQNUPOE-VIFPVBQESA-N 0 0 274.286 2.882 20 10 CFCDRN Cc1ccncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773008235 627767532 /nfs/dbraw/zinc/76/75/32/627767532.db2.gz LMFBGLDJDZQXMV-CYBMUJFWSA-N 0 0 283.375 2.947 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000773008863 627767571 /nfs/dbraw/zinc/76/75/71/627767571.db2.gz HTFYLOFHQSIWCL-LLVKDONJSA-N 0 0 273.336 2.540 20 10 CFCDRN C[C@H](NC(=O)Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000773004888 627767663 /nfs/dbraw/zinc/76/76/63/627767663.db2.gz BQYROWJOLFXQCD-LBPRGKRZSA-N 0 0 272.348 2.766 20 10 CFCDRN C[C@H](NC(=O)CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000773009723 627768655 /nfs/dbraw/zinc/76/86/55/627768655.db2.gz QHUXIMWGNSNTIU-AWEZNQCLSA-N 0 0 297.402 2.958 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000773014186 627769190 /nfs/dbraw/zinc/76/91/90/627769190.db2.gz KMGLNILPKHCNHX-LBPRGKRZSA-N 0 0 299.374 2.653 20 10 CFCDRN C[C@H](NC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000773113014 627784611 /nfs/dbraw/zinc/78/46/11/627784611.db2.gz NUHBFMGKGRAXIO-LBPRGKRZSA-N 0 0 287.363 2.906 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773181950 627792814 /nfs/dbraw/zinc/79/28/14/627792814.db2.gz DHJHIABEWVOLTM-DYEKYZERSA-N 0 0 275.396 2.769 20 10 CFCDRN CS[C@H](C)CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000773203965 627795253 /nfs/dbraw/zinc/79/52/53/627795253.db2.gz YRMDWWBXXCTYDF-GFCCVEGCSA-N 0 0 280.437 2.901 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1ccc(N(C)CC)cc1 ZINC000773753295 627855419 /nfs/dbraw/zinc/85/54/19/627855419.db2.gz SBQDFGXCMVJAHX-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000773763647 627857128 /nfs/dbraw/zinc/85/71/28/627857128.db2.gz XINKNRARNFKUOA-WCQYABFASA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@H](Nc1ncnc2nccnc21)c1ccc(N(C)C)cc1 ZINC000773901919 627869009 /nfs/dbraw/zinc/86/90/09/627869009.db2.gz PRZOCRRXURNZDB-NSHDSACASA-N 0 0 294.362 2.659 20 10 CFCDRN CCC(C)(C)NC(=S)NCc1ccc(N(C)C)cc1 ZINC000774153034 627894535 /nfs/dbraw/zinc/89/45/35/627894535.db2.gz PXOJWNJZDAMHMV-UHFFFAOYSA-N 0 0 279.453 2.905 20 10 CFCDRN Cc1noc(-c2ccc(NCc3ccccc3O)nc2)n1 ZINC000774524632 627934561 /nfs/dbraw/zinc/93/45/61/627934561.db2.gz VULUECOAPGOVAR-UHFFFAOYSA-N 0 0 282.303 2.758 20 10 CFCDRN CC(C)COc1cncc(NCc2ccccc2O)n1 ZINC000774524380 627934807 /nfs/dbraw/zinc/93/48/07/627934807.db2.gz RGUVWURZKIMOIK-UHFFFAOYSA-N 0 0 273.336 2.829 20 10 CFCDRN COc1c([O-])c(C[N@H+](C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774840233 627969322 /nfs/dbraw/zinc/96/93/22/627969322.db2.gz KJDJLIPACPOVAV-UHFFFAOYSA-N 0 0 280.324 2.682 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774904345 627978133 /nfs/dbraw/zinc/97/81/33/627978133.db2.gz RAEJZKOKWPUMMW-VHSXEESVSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774913118 627979304 /nfs/dbraw/zinc/97/93/04/627979304.db2.gz QPEGUAGPEHMEDX-UWVGGRQHSA-N 0 0 280.324 2.682 20 10 CFCDRN O=C(CSc1nccs1)c1c[nH]c2ncccc12 ZINC000775187100 627998800 /nfs/dbraw/zinc/99/88/00/627998800.db2.gz RFAHBPBXXXEEGS-UHFFFAOYSA-N 0 0 275.358 2.994 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C)no2)c1 ZINC000775373004 628016417 /nfs/dbraw/zinc/01/64/17/628016417.db2.gz KXJIWJVCRSDAFJ-RKDXNWHRSA-N 0 0 277.324 2.504 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C)no2)c1 ZINC000775373003 628016438 /nfs/dbraw/zinc/01/64/38/628016438.db2.gz KXJIWJVCRSDAFJ-IUCAKERBSA-N 0 0 277.324 2.504 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000775370039 628016723 /nfs/dbraw/zinc/01/67/23/628016723.db2.gz KGBABUBTQDEECD-VHSXEESVSA-N 0 0 291.351 2.758 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(=O)[nH]1 ZINC000775403133 628021459 /nfs/dbraw/zinc/02/14/59/628021459.db2.gz GPBSPAMIYGDFBE-LBPRGKRZSA-N 0 0 299.374 2.653 20 10 CFCDRN O=[N+]([O-])c1ccsc1NCc1ccccc1O ZINC000775673579 628052803 /nfs/dbraw/zinc/05/28/03/628052803.db2.gz WZENXDZVXAIQJI-UHFFFAOYSA-N 0 0 250.279 2.974 20 10 CFCDRN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](C)O ZINC000775680191 628053858 /nfs/dbraw/zinc/05/38/58/628053858.db2.gz CIYIJVROHKAHPQ-VIFPVBQESA-N 0 0 275.751 2.776 20 10 CFCDRN Cc1cccc(CN2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000775744356 628062164 /nfs/dbraw/zinc/06/21/64/628062164.db2.gz KEDPNZAXWBJPJJ-UHFFFAOYSA-N 0 0 296.370 2.503 20 10 CFCDRN Cc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775833254 628073889 /nfs/dbraw/zinc/07/38/89/628073889.db2.gz AGOCNLOYCGDWOL-CYBMUJFWSA-N 0 0 270.380 2.702 20 10 CFCDRN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000775833926 628074045 /nfs/dbraw/zinc/07/40/45/628074045.db2.gz HUCWVORMCYHYRA-CYBMUJFWSA-N 0 0 272.396 2.645 20 10 CFCDRN CCC(O)(CC)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776107427 628103806 /nfs/dbraw/zinc/10/38/06/628103806.db2.gz LYXDZUSVIYSSQP-UHFFFAOYSA-N 0 0 275.751 2.825 20 10 CFCDRN CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776174632 628112312 /nfs/dbraw/zinc/11/23/12/628112312.db2.gz PSMSBAOWAMBMCH-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN COC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776219855 628118870 /nfs/dbraw/zinc/11/88/70/628118870.db2.gz IVQFLHNSQUXUKS-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776245689 628120972 /nfs/dbraw/zinc/12/09/72/628120972.db2.gz MQRADJJSPOPZFG-RYUDHWBXSA-N 0 0 261.369 2.617 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000776240947 628121025 /nfs/dbraw/zinc/12/10/25/628121025.db2.gz YVBWXHMJNCPQOZ-OLZOCXBDSA-N 0 0 275.396 2.865 20 10 CFCDRN CC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776248826 628121742 /nfs/dbraw/zinc/12/17/42/628121742.db2.gz PXQNPOJLQZFVEM-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN O=C(OCCCOc1ccccc1)c1cccc(O)c1O ZINC000776281536 628126063 /nfs/dbraw/zinc/12/60/63/628126063.db2.gz GTUPUWAGTZEWGU-UHFFFAOYSA-N 0 0 288.299 2.724 20 10 CFCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000776281302 628126072 /nfs/dbraw/zinc/12/60/72/628126072.db2.gz IMJDRAULEKYSCB-NWDGAFQWSA-N 0 0 283.393 2.777 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(C)n1 ZINC000776344831 628133762 /nfs/dbraw/zinc/13/37/62/628133762.db2.gz XQQXCNKZKIFDBU-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1c(C)noc1C ZINC000776854140 628183145 /nfs/dbraw/zinc/18/31/45/628183145.db2.gz OZRIJYTYYOYFNT-WAYWQWQTSA-N 0 0 277.349 2.733 20 10 CFCDRN Cc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000777839449 628255652 /nfs/dbraw/zinc/25/56/52/628255652.db2.gz LHPGAGIQJSKMMI-FLIBITNWSA-N 0 0 295.386 2.786 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000778243107 628291950 /nfs/dbraw/zinc/29/19/50/628291950.db2.gz SJRYXYYOTIAEAW-HNNXBMFYSA-N 0 0 295.354 2.591 20 10 CFCDRN CCC(C)(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778916393 628339688 /nfs/dbraw/zinc/33/96/88/628339688.db2.gz GTUUDYUORSAFLR-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN Cc1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(O)c1 ZINC000779102092 628352436 /nfs/dbraw/zinc/35/24/36/628352436.db2.gz VKAPZOHAXGDGDK-LBPRGKRZSA-N 0 0 299.374 2.653 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC2(C1)CCCC2 ZINC000779223911 628360946 /nfs/dbraw/zinc/36/09/46/628360946.db2.gz MQEJQOCJBNDQPM-XQRVVYSFSA-N 0 0 273.332 2.514 20 10 CFCDRN CC(C)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779515002 628385732 /nfs/dbraw/zinc/38/57/32/628385732.db2.gz ROCCOGHIBDWLOK-SOFGYWHQSA-N 0 0 263.337 2.662 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)o1 ZINC000779501076 628385914 /nfs/dbraw/zinc/38/59/14/628385914.db2.gz UHHVXECNHHAZDT-KXFIGUGUSA-N 0 0 293.706 2.674 20 10 CFCDRN Cc1ccsc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779503851 628385992 /nfs/dbraw/zinc/38/59/92/628385992.db2.gz VDOZQWRUUYKAPN-HYXAFXHYSA-N 0 0 289.356 2.797 20 10 CFCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000779519892 628386364 /nfs/dbraw/zinc/38/63/64/628386364.db2.gz FQAVXPAVEISDMC-IOCXFXADSA-N 0 0 277.364 2.909 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC2CCC1CC2 ZINC000779534501 628386950 /nfs/dbraw/zinc/38/69/50/628386950.db2.gz GTTFOWHXKRUXQT-UPVNRZGHSA-N 0 0 287.359 2.806 20 10 CFCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779532613 628387174 /nfs/dbraw/zinc/38/71/74/628387174.db2.gz TXIFPFPIMIJWMS-BVKQBWKVSA-N 0 0 275.348 2.758 20 10 CFCDRN CC[C@H](CO)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779749678 628399490 /nfs/dbraw/zinc/39/94/90/628399490.db2.gz LHKCNYQWLHVBRF-OAHLLOKOSA-N 0 0 292.423 2.508 20 10 CFCDRN Cc1cnc(C(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000780380570 628459456 /nfs/dbraw/zinc/45/94/56/628459456.db2.gz UNKYHSQKLCMTNS-UHFFFAOYSA-N 0 0 270.332 2.676 20 10 CFCDRN CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(O)c1O ZINC000780955298 628507739 /nfs/dbraw/zinc/50/77/39/628507739.db2.gz MKGRTMMDZALXGB-ONGXEEELSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c(O)c1O ZINC000780953061 628507927 /nfs/dbraw/zinc/50/79/27/628507927.db2.gz DYISCZSWJQRSBY-ZFWWWQNUSA-N 0 0 297.354 2.767 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806148560 628511075 /nfs/dbraw/zinc/51/10/75/628511075.db2.gz WBQYIJMHEKNSNR-SKDRFNHKSA-N 0 0 284.787 2.563 20 10 CFCDRN Cc1ccc(C(=O)NC2CCC(F)(F)CC2)c(O)c1O ZINC000780997012 628511674 /nfs/dbraw/zinc/51/16/74/628511674.db2.gz MPBWDWVDPZYSKM-UHFFFAOYSA-N 0 0 285.290 2.714 20 10 CFCDRN COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)ccc1O ZINC000781527412 628557687 /nfs/dbraw/zinc/55/76/87/628557687.db2.gz NGLRGQGBAFGSAS-CYBMUJFWSA-N 0 0 297.782 2.963 20 10 CFCDRN O=C(NCC1=CCCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000852138178 634667711 /nfs/dbraw/zinc/66/77/11/634667711.db2.gz IOZXHECURZREHE-UHFFFAOYSA-N 0 0 297.402 2.972 20 10 CFCDRN COc1ccc(N(C)CCOC2CCC2)cc1OC ZINC000805736929 628661920 /nfs/dbraw/zinc/66/19/20/628661920.db2.gz GOPJGEKCRJWSOC-UHFFFAOYSA-N 0 0 265.353 2.709 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000783034119 628670799 /nfs/dbraw/zinc/67/07/99/628670799.db2.gz VBEMFBVSWGQZQV-UHFFFAOYSA-N 0 0 295.386 2.955 20 10 CFCDRN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1=CC(=O)CS1 ZINC000783606782 628726409 /nfs/dbraw/zinc/72/64/09/628726409.db2.gz AMKFNJPSRJNBIA-UHFFFAOYSA-N 0 0 297.263 2.858 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCOC2)cc1F ZINC000783665354 628732092 /nfs/dbraw/zinc/73/20/92/628732092.db2.gz SSCOCBYRXWYIFV-NSHDSACASA-N 0 0 253.317 2.697 20 10 CFCDRN CC(C)[C@@H](F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000784313454 628804518 /nfs/dbraw/zinc/80/45/18/628804518.db2.gz ZPKSIEIALDQDQJ-CQSZACIVSA-N 0 0 266.360 2.705 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC2CCCC2)cc1 ZINC000784560450 628827310 /nfs/dbraw/zinc/82/73/10/628827310.db2.gz MKDLSXQDAROKML-UHFFFAOYSA-N 0 0 277.364 2.865 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000784894032 628849698 /nfs/dbraw/zinc/84/96/98/628849698.db2.gz QFRSYPAMOOLUKN-HIFRSBDPSA-N 0 0 290.407 2.747 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000785570589 628893970 /nfs/dbraw/zinc/89/39/70/628893970.db2.gz BCNVAKCHKYSGCF-UHFFFAOYSA-N 0 0 297.358 2.754 20 10 CFCDRN C[C@@H](Cc1ccccc1)NC(=S)NCc1cccn1C ZINC000786075228 628934576 /nfs/dbraw/zinc/93/45/76/628934576.db2.gz ACQFIRYPOHPSGV-ZDUSSCGKSA-N 0 0 287.432 2.620 20 10 CFCDRN CCc1ccc(C(=O)NCc2ccccc2O)c(O)c1 ZINC000787131108 628995163 /nfs/dbraw/zinc/99/51/63/628995163.db2.gz HHLPVKKOWOJEBL-UHFFFAOYSA-N 0 0 271.316 2.590 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1(C)CC1 ZINC000787166142 628997204 /nfs/dbraw/zinc/99/72/04/628997204.db2.gz NIPVKMVZCBACKW-UHFFFAOYSA-N 0 0 297.782 2.821 20 10 CFCDRN CC[C@H](NCc1cc(OC)ccc1O)C(F)(F)F ZINC000787441720 629013046 /nfs/dbraw/zinc/01/30/46/629013046.db2.gz YCQFDSRIFGBYAM-NSHDSACASA-N 0 0 263.259 2.831 20 10 CFCDRN Cc1cc(C(=O)OC[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000787563979 629018751 /nfs/dbraw/zinc/01/87/51/629018751.db2.gz NBMLWHAUGLXOLA-CYBMUJFWSA-N 0 0 287.359 2.940 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000852260927 634703332 /nfs/dbraw/zinc/70/33/32/634703332.db2.gz GRRWOAONHKDIBF-JSGCOSHPSA-N 0 0 273.380 2.831 20 10 CFCDRN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000788269055 629053230 /nfs/dbraw/zinc/05/32/30/629053230.db2.gz KYEHQXDYOCOJTD-GMSGAONNSA-N 0 0 276.163 2.654 20 10 CFCDRN C[C@@H]1CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000805863106 629059111 /nfs/dbraw/zinc/05/91/11/629059111.db2.gz SUSUBCKRMZUVEP-ABAIWWIYSA-N 0 0 288.391 2.869 20 10 CFCDRN CCN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O ZINC000788689546 629092910 /nfs/dbraw/zinc/09/29/10/629092910.db2.gz GXRYMBSQZJKLFS-QGZVFWFLSA-N 0 0 282.343 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/nfs/dbraw/zinc/40/68/79/629406879.db2.gz URSISZYXCUSZJC-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792850936 629458078 /nfs/dbraw/zinc/45/80/78/629458078.db2.gz SQBYSXWAOUVSKQ-WDEREUQCSA-N 0 0 280.368 2.635 20 10 CFCDRN CC[C@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccccc1O ZINC000793658306 629583606 /nfs/dbraw/zinc/58/36/06/629583606.db2.gz RLOQRYHMHWCGKO-ZFWWWQNUSA-N 0 0 293.407 2.928 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000793689994 629585997 /nfs/dbraw/zinc/58/59/97/629585997.db2.gz RLCDZAVOUHPALO-ZIBATOQPSA-N 0 0 295.379 2.639 20 10 CFCDRN O=C(CCC(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000793689140 629586152 /nfs/dbraw/zinc/58/61/52/629586152.db2.gz KDWKCRRTHIYYML-UHFFFAOYSA-N 0 0 283.318 2.933 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000793855435 629601106 /nfs/dbraw/zinc/60/11/06/629601106.db2.gz IVBQBUDJYXJKQS-KBPBESRZSA-N 0 0 290.407 2.747 20 10 CFCDRN Cc1ccc(C(=O)Nc2cccc3c2CCO3)c(O)c1O ZINC000794147442 629616800 /nfs/dbraw/zinc/61/68/00/629616800.db2.gz KITVLXXNIKYLNH-UHFFFAOYSA-N 0 0 285.299 2.593 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)ncn1 ZINC000794270437 629628771 /nfs/dbraw/zinc/62/87/71/629628771.db2.gz FQNAILXKIKXORL-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN COc1ccc(CNC(=O)/C=C2\CC[C@H](C)C2)c(O)c1 ZINC000794376991 629641315 /nfs/dbraw/zinc/64/13/15/629641315.db2.gz KALUVTSKUQNXBU-SERMCNLOSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(CNC(=O)/C=C2/CC[C@@H](C)C2)c(O)c1 ZINC000794376986 629641366 /nfs/dbraw/zinc/64/13/66/629641366.db2.gz KALUVTSKUQNXBU-HQQGHWSLSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccsc2)c(O)c1 ZINC000794373099 629641584 /nfs/dbraw/zinc/64/15/84/629641584.db2.gz GOGDNJVKBZGGDA-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)c2ccc(C)o2)c(O)c1 ZINC000794380731 629642089 /nfs/dbraw/zinc/64/20/89/629642089.db2.gz IABTYIAZXPHGMU-LLVKDONJSA-N 0 0 289.331 2.722 20 10 CFCDRN CCc1ccc(C(=O)NCc2ccc(OC)cc2O)s1 ZINC000794382459 629642323 /nfs/dbraw/zinc/64/23/23/629642323.db2.gz XFGJQEVAAPUVNH-UHFFFAOYSA-N 0 0 291.372 2.955 20 10 CFCDRN CCCCCCOCC(=O)NCc1ccc(OC)cc1O ZINC000794388585 629642774 /nfs/dbraw/zinc/64/27/74/629642774.db2.gz XMYCSPASEMXWFV-UHFFFAOYSA-N 0 0 295.379 2.614 20 10 CFCDRN CCC(C)(C)CC(=O)NCc1ccc(OC)cc1O ZINC000794388252 629642779 /nfs/dbraw/zinc/64/27/79/629642779.db2.gz SOORNNQMFYHHIH-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(CNC(=O)Nc2ccccc2F)c(O)c1 ZINC000794760756 629684842 /nfs/dbraw/zinc/68/48/42/629684842.db2.gz XBDXLBWVSSCNBV-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN Cc1oc(C2CC2)nc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000794809619 629689013 /nfs/dbraw/zinc/68/90/13/629689013.db2.gz SYHYQSHDMQFSSV-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000794833029 629691883 /nfs/dbraw/zinc/69/18/83/629691883.db2.gz JVHVRZOYLUJYOI-JOYOIKCWSA-N 0 0 285.334 2.872 20 10 CFCDRN Cc1ccccc1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121420073 629849242 /nfs/dbraw/zinc/84/92/42/629849242.db2.gz IMPLPUDTBHKLNW-UHFFFAOYSA-N 0 0 298.342 2.799 20 10 CFCDRN CCOC1CC(CN(C)c2ccc3c(c2)OCO3)C1 ZINC000795972102 629856519 /nfs/dbraw/zinc/85/65/19/629856519.db2.gz MDWHWRLYPQXOHZ-UHFFFAOYSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(C)n1 ZINC000796439275 629917708 /nfs/dbraw/zinc/91/77/08/629917708.db2.gz LXILGJJMEYKWOW-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796700473 629952167 /nfs/dbraw/zinc/95/21/67/629952167.db2.gz FAJKKWGWMFKXMM-BXUZGUMPSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796821252 629972830 /nfs/dbraw/zinc/97/28/30/629972830.db2.gz STYYFJILXUMFSO-ZDUSSCGKSA-N 0 0 296.386 2.877 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC(C)(C)F)c1 ZINC000852553941 634778162 /nfs/dbraw/zinc/77/81/62/634778162.db2.gz WRCRVACSLREECJ-JTQLQIEISA-N 0 0 298.358 2.899 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] 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CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841300143 631377915 /nfs/dbraw/zinc/37/79/15/631377915.db2.gz OLTVGDFIJPXCHA-KGLIPLIRSA-N 0 0 289.379 2.738 20 10 CFCDRN Nc1ccc(NC(=O)NCC2(c3ccccn3)CCC2)cc1 ZINC000841300079 631378175 /nfs/dbraw/zinc/37/81/75/631378175.db2.gz SPFNTRPNHSCGPC-UHFFFAOYSA-N 0 0 296.374 2.907 20 10 CFCDRN CC(C)[C@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841300032 631378229 /nfs/dbraw/zinc/37/82/29/631378229.db2.gz QQPPDZVRHXQPGX-IUODEOHRSA-N 0 0 291.395 2.842 20 10 CFCDRN Cn1nc(NC(=O)Nc2ccc(N)cc2)cc1C1CC1 ZINC000841300344 631378738 /nfs/dbraw/zinc/37/87/38/631378738.db2.gz VGQKSUOFMZHRQG-UHFFFAOYSA-N 0 0 271.324 2.524 20 10 CFCDRN C[C@]1(F)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300645 631378796 /nfs/dbraw/zinc/37/87/96/631378796.db2.gz YMAQWOAYCHPXJL-ZDUSSCGKSA-N 0 0 251.305 2.625 20 10 CFCDRN C[C@H]1[C@@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C ZINC000841459398 631408511 /nfs/dbraw/zinc/40/85/11/631408511.db2.gz CDIAELYLUIWWQP-BETACJJHSA-N 0 0 275.348 2.614 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC000841620740 631434174 /nfs/dbraw/zinc/43/41/74/631434174.db2.gz WNHIGDHCUCUNET-XJKCOSOUSA-N 0 0 289.423 2.935 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841709122 631457231 /nfs/dbraw/zinc/45/72/31/631457231.db2.gz CBZKVPQWSXBJJY-WFASDCNBSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841738177 631462500 /nfs/dbraw/zinc/46/25/00/631462500.db2.gz KHFHFHCIMBBRGF-HIFRSBDPSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@H]1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841738179 631462542 /nfs/dbraw/zinc/46/25/42/631462542.db2.gz KHFHFHCIMBBRGF-ZFWWWQNUSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841747988 631464592 /nfs/dbraw/zinc/46/45/92/631464592.db2.gz VGFFPQIJYIIFDV-JTQLQIEISA-N 0 0 284.787 2.565 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(Cl)cc1O ZINC000841753433 631466211 /nfs/dbraw/zinc/46/62/11/631466211.db2.gz SZKHBDINBRNICD-BDAKNGLRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)cc1[O-] ZINC000841757163 631467743 /nfs/dbraw/zinc/46/77/43/631467743.db2.gz FHERBZCQBBJQEU-CABZTGNLSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841762229 631469173 /nfs/dbraw/zinc/46/91/73/631469173.db2.gz IABBJDCKYPUEJZ-SNVBAGLBSA-N 0 0 296.798 2.742 20 10 CFCDRN CCn1cncc1CN(C)c1ccc(OC)c(F)c1 ZINC000841868342 631484925 /nfs/dbraw/zinc/48/49/25/631484925.db2.gz UZPSWKZHIQRUQR-UHFFFAOYSA-N 0 0 263.316 2.687 20 10 CFCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841896523 631490133 /nfs/dbraw/zinc/49/01/33/631490133.db2.gz PAOXGTIOOHJJOO-OCCSQVGLSA-N 0 0 275.396 2.547 20 10 CFCDRN CC(C)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954878 631495626 /nfs/dbraw/zinc/49/56/26/631495626.db2.gz QALYCIRGFBJLTO-OAHLLOKOSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)C(C)(C)C1 ZINC000841957723 631496412 /nfs/dbraw/zinc/49/64/12/631496412.db2.gz LMDIIRVPPADSKF-GFCCVEGCSA-N 0 0 275.396 2.641 20 10 CFCDRN CC[C@H](CSC)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958968 631496524 /nfs/dbraw/zinc/49/65/24/631496524.db2.gz JEKVNJOEEYDAMH-CQSZACIVSA-N 0 0 295.452 2.594 20 10 CFCDRN C[C@H]1CC[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957487 631496748 /nfs/dbraw/zinc/49/67/48/631496748.db2.gz KLWPEEKBWIKYRV-STQMWFEESA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841959702 631496840 /nfs/dbraw/zinc/49/68/40/631496840.db2.gz OXXDBCPDUCYEJG-ZDUSSCGKSA-N 0 0 275.396 2.643 20 10 CFCDRN CC[C@@H]1[C@H](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960171 631497061 /nfs/dbraw/zinc/49/70/61/631497061.db2.gz WUDDDCKAJJFIQQ-IUODEOHRSA-N 0 0 275.396 2.641 20 10 CFCDRN CCCCN(CC)C(=O)NCCc1ccc(N)cc1 ZINC000841962783 631497383 /nfs/dbraw/zinc/49/73/83/631497383.db2.gz SGWSKXKBGMHRKZ-UHFFFAOYSA-N 0 0 263.385 2.643 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960060 631497594 /nfs/dbraw/zinc/49/75/94/631497594.db2.gz TVHWZAIARNGXQX-RDBSUJKOSA-N 0 0 289.423 2.887 20 10 CFCDRN Cc1ncsc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000811155844 631526108 /nfs/dbraw/zinc/52/61/08/631526108.db2.gz BRDTXPRQGXKRJV-HWKANZROSA-N 0 0 291.328 2.619 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000811260416 631542501 /nfs/dbraw/zinc/54/25/01/631542501.db2.gz DHCKDIZKNMMWLF-UHFFFAOYSA-N 0 0 296.750 2.952 20 10 CFCDRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)[C@@H](C)O ZINC000842227932 631568109 /nfs/dbraw/zinc/56/81/09/631568109.db2.gz ZGTVUTUCDBZDBN-CJNGLKHVSA-N 0 0 292.423 2.556 20 10 CFCDRN OCc1ccc(NCc2cc(Cl)cc(F)c2O)nc1 ZINC000811501554 631572290 /nfs/dbraw/zinc/57/22/90/631572290.db2.gz NPIDHZOJUFPVAM-UHFFFAOYSA-N 0 0 282.702 2.684 20 10 CFCDRN COc1ccc(O)c(CN2CCC(=O)Nc3ccccc32)c1 ZINC000811508587 631573509 /nfs/dbraw/zinc/57/35/09/631573509.db2.gz YHDDAISLMJPARD-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN COc1ccc(O)c(CNc2cncc(SC)n2)c1 ZINC000811805173 631623966 /nfs/dbraw/zinc/62/39/66/631623966.db2.gz LFXNSHADPRDPPJ-UHFFFAOYSA-N 0 0 277.349 2.525 20 10 CFCDRN CCc1cc(CC)nc(NCc2cc(OC)ccc2O)n1 ZINC000811806236 631624828 /nfs/dbraw/zinc/62/48/28/631624828.db2.gz NEKHWGVORQPQNR-UHFFFAOYSA-N 0 0 287.363 2.928 20 10 CFCDRN Oc1ccc(CCNc2ccc(Cl)cn2)cc1O ZINC000811811457 631625587 /nfs/dbraw/zinc/62/55/87/631625587.db2.gz VAVUZWNWIMPSBD-UHFFFAOYSA-N 0 0 264.712 2.801 20 10 CFCDRN Cc1cncc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811808235 631625895 /nfs/dbraw/zinc/62/58/95/631625895.db2.gz ALNRPZMRXXASLM-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN C[C@@H](NC(=O)NOC/C=C\Cl)c1ccc(N(C)C)cc1 ZINC000811905801 631639310 /nfs/dbraw/zinc/63/93/10/631639310.db2.gz LHJSDAPEKGGBLA-KSHIFHCESA-N 0 0 297.786 2.797 20 10 CFCDRN CC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000811905438 631639367 /nfs/dbraw/zinc/63/93/67/631639367.db2.gz DJXJNVUPEZWSIU-SWLSCSKDSA-N 0 0 293.411 2.538 20 10 CFCDRN COC(=O)c1cnc(S[C@@H](C(C)=O)C(C)C)s1 ZINC000842580373 631670287 /nfs/dbraw/zinc/67/02/87/631670287.db2.gz FYOUKGNVLLQNPD-SECBINFHSA-N 0 0 273.379 2.635 20 10 CFCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cccc(O)c1O ZINC000812419711 631714507 /nfs/dbraw/zinc/71/45/07/631714507.db2.gz OYLDMCJWHHIMKU-RYUDHWBXSA-N 0 0 293.363 2.928 20 10 CFCDRN COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000812544824 631731299 /nfs/dbraw/zinc/73/12/99/631731299.db2.gz VGQXKVGYJDIQDJ-BFHYXJOUSA-N 0 0 292.423 2.848 20 10 CFCDRN CO[C@](C)(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000812550520 631732430 /nfs/dbraw/zinc/73/24/30/631732430.db2.gz FQNTWFBVMIISHA-SJCJKPOMSA-N 0 0 290.407 2.745 20 10 CFCDRN CO[C@@](C)(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000812550521 631732648 /nfs/dbraw/zinc/73/26/48/631732648.db2.gz FQNTWFBVMIISHA-SJKOYZFVSA-N 0 0 290.407 2.745 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842919321 631782008 /nfs/dbraw/zinc/78/20/08/631782008.db2.gz WKDIQDDGJJVCLO-SDDRHHMPSA-N 0 0 296.367 2.748 20 10 CFCDRN CN(C)c1ccc(C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1F ZINC000843039153 631809370 /nfs/dbraw/zinc/80/93/70/631809370.db2.gz BETRMZZZXBQHHJ-UHFFFAOYSA-N 0 0 294.370 2.578 20 10 CFCDRN CC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000843050637 631814513 /nfs/dbraw/zinc/81/45/13/631814513.db2.gz NBYTYLUXYFPLFM-SKDRFNHKSA-N 0 0 286.778 2.744 20 10 CFCDRN CS[C@@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160397 631871164 /nfs/dbraw/zinc/87/11/64/631871164.db2.gz XSLSNYRXWMULIF-VIFPVBQESA-N 0 0 263.366 2.537 20 10 CFCDRN CSC[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159950 631871483 /nfs/dbraw/zinc/87/14/83/631871483.db2.gz SWVIRUVLPGPJOH-SECBINFHSA-N 0 0 263.366 2.709 20 10 CFCDRN COc1ncc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000813334274 631905924 /nfs/dbraw/zinc/90/59/24/631905924.db2.gz CKICUCPSRWOIMA-UHFFFAOYSA-N 0 0 291.420 2.850 20 10 CFCDRN CC[C@H](C)CONC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000813613862 631941822 /nfs/dbraw/zinc/94/18/22/631941822.db2.gz SLDQQMZKZMPMMC-NSHDSACASA-N 0 0 297.374 2.669 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2C2CCC2)cc1F ZINC000843429454 631956442 /nfs/dbraw/zinc/95/64/42/631956442.db2.gz VZHDECBXFLYHKK-QGZVFWFLSA-N 0 0 292.398 2.893 20 10 CFCDRN CC[C@H](NCc1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000843431413 631957411 /nfs/dbraw/zinc/95/74/11/631957411.db2.gz QIKLHMVAONVCOY-ZDUSSCGKSA-N 0 0 295.379 2.611 20 10 CFCDRN C[C@@H]1C(=O)N(C)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000843434841 631959536 /nfs/dbraw/zinc/95/95/36/631959536.db2.gz DLDPBHKEWKZAHC-CYBMUJFWSA-N 0 0 296.370 2.679 20 10 CFCDRN COc1ccc(C2(NC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000843437727 631960413 /nfs/dbraw/zinc/96/04/13/631960413.db2.gz BVWSCCMGKULKLL-UHFFFAOYSA-N 0 0 296.370 2.625 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CCC1 ZINC000840306695 631982169 /nfs/dbraw/zinc/98/21/69/631982169.db2.gz UOTNUJMNNUPETH-ZDUSSCGKSA-N 0 0 289.423 2.844 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C\C2CCCC2)c1 ZINC000843830057 632064091 /nfs/dbraw/zinc/06/40/91/632064091.db2.gz ADHRZGULHATRJE-TWGQIWQCSA-N 0 0 275.348 2.763 20 10 CFCDRN CC(C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000844281896 632154844 /nfs/dbraw/zinc/15/48/44/632154844.db2.gz QHMHIDQNJVIKPB-UHFFFAOYSA-N 0 0 256.733 2.501 20 10 CFCDRN CCN(Cc1cc2n(n1)CCC2)c1ccc(OC)cc1 ZINC000844306129 632163251 /nfs/dbraw/zinc/16/32/51/632163251.db2.gz SJQCOEXVAZFWOK-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN CC1(C(=O)NCc2ccc(O)c(O)c2)CCCCC1 ZINC000156411699 650053222 /nfs/dbraw/zinc/05/32/22/650053222.db2.gz ANUQCMXUAINRMC-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN COc1ccc(N(C)Cc2nccc(OC)c2OC)cc1 ZINC000844352831 632176817 /nfs/dbraw/zinc/17/68/17/632176817.db2.gz JXOLNROPOVECCK-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN COc1ccc(N(C)Cc2nc(CC(C)C)no2)cc1 ZINC000844353769 632178094 /nfs/dbraw/zinc/17/80/94/632178094.db2.gz ZUDIDLPPQQLMLQ-UHFFFAOYSA-N 0 0 275.352 2.913 20 10 CFCDRN Cc1cc(CN2CCO[C@H](C(F)F)C2)ccc1N(C)C ZINC000815112553 632203584 /nfs/dbraw/zinc/20/35/84/632203584.db2.gz USWOVVUBHYNUKA-AWEZNQCLSA-N 0 0 284.350 2.527 20 10 CFCDRN COCc1ccnc(NCc2cc(C)ccc2O)c1 ZINC000844708068 632287105 /nfs/dbraw/zinc/28/71/05/632287105.db2.gz PHBXAGYYZNVZNT-UHFFFAOYSA-N 0 0 258.321 2.854 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000815645954 632304533 /nfs/dbraw/zinc/30/45/33/632304533.db2.gz VRRWGANJHLWYNS-VHSXEESVSA-N 0 0 269.316 2.578 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000815796674 632321492 /nfs/dbraw/zinc/32/14/92/632321492.db2.gz HHXPOANPOSEKFY-AWEZNQCLSA-N 0 0 297.354 2.786 20 10 CFCDRN CC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852002 632323196 /nfs/dbraw/zinc/32/31/96/632323196.db2.gz DMHGNURMBOMODD-CYBMUJFWSA-N 0 0 278.396 2.636 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)CC2CCC2)cc1 ZINC000844854778 632323893 /nfs/dbraw/zinc/32/38/93/632323893.db2.gz MEHPBDYVYHAFNH-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN C/C=C(\C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844855575 632324074 /nfs/dbraw/zinc/32/40/74/632324074.db2.gz YYEKEBHRXUYELB-AWNIVKPZSA-N 0 0 276.380 2.556 20 10 CFCDRN CCS[C@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000105650051 632325128 /nfs/dbraw/zinc/32/51/28/632325128.db2.gz GNXPMHJUMUOCKX-AWEZNQCLSA-N 0 0 297.420 2.795 20 10 CFCDRN CC1(C)C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844972384 632348513 /nfs/dbraw/zinc/34/85/13/632348513.db2.gz HIYNPNDCCRMVDP-SNVBAGLBSA-N 0 0 282.771 2.891 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC=CO1 ZINC000845135364 632373997 /nfs/dbraw/zinc/37/39/97/632373997.db2.gz PGHYIVIMXFHFLE-LBPRGKRZSA-N 0 0 296.754 2.538 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000845157719 632376907 /nfs/dbraw/zinc/37/69/07/632376907.db2.gz VGOBBGNNSKNKPV-PJXYFTJBSA-N 0 0 280.755 2.643 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnn(C)c1Cl ZINC000816478778 632467450 /nfs/dbraw/zinc/46/74/50/632467450.db2.gz RVMSTMUPZWVEJA-UHFFFAOYSA-N 0 0 277.755 2.645 20 10 CFCDRN CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816516623 632476572 /nfs/dbraw/zinc/47/65/72/632476572.db2.gz LMEIBURPMUPKKT-MRXNPFEDSA-N 0 0 298.386 2.646 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000816548379 632481401 /nfs/dbraw/zinc/48/14/01/632481401.db2.gz FVLOJCZSQULEAP-SNVBAGLBSA-N 0 0 284.762 2.511 20 10 CFCDRN Oc1ccccc1CNCc1c(F)ccc(O)c1F ZINC000816545636 632481557 /nfs/dbraw/zinc/48/15/57/632481557.db2.gz YXUDEZHEUNIWDW-UHFFFAOYSA-N 0 0 265.259 2.666 20 10 CFCDRN Cn1cc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000816546879 632481822 /nfs/dbraw/zinc/48/18/22/632481822.db2.gz ZVCHBGUIGZMSTE-UHFFFAOYSA-N 0 0 255.680 2.530 20 10 CFCDRN CCC[C@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549923 632481858 /nfs/dbraw/zinc/48/18/58/632481858.db2.gz COKGVHHMNWPSFV-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000816556808 632483826 /nfs/dbraw/zinc/48/38/26/632483826.db2.gz UPRRGYXGHFBGJB-JTQLQIEISA-N 0 0 295.745 2.555 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816557674 632484204 /nfs/dbraw/zinc/48/42/04/632484204.db2.gz XUDRXIJNYREGFN-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000816556809 632484286 /nfs/dbraw/zinc/48/42/86/632484286.db2.gz UPRRGYXGHFBGJB-SNVBAGLBSA-N 0 0 295.745 2.555 20 10 CFCDRN C[C@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCOC1 ZINC000816564313 632485155 /nfs/dbraw/zinc/48/51/55/632485155.db2.gz AVAXYAOTDUBTDM-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000816567069 632486142 /nfs/dbraw/zinc/48/61/42/632486142.db2.gz PMGVHQDYOQARBL-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN COC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1O ZINC000816595767 632491295 /nfs/dbraw/zinc/49/12/95/632491295.db2.gz AATGPBGLBBJEOU-LLVKDONJSA-N 0 0 273.332 2.539 20 10 CFCDRN COc1ccncc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816618617 632495612 /nfs/dbraw/zinc/49/56/12/632495612.db2.gz CMLKMULXRWHXPH-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000816648508 632503092 /nfs/dbraw/zinc/50/30/92/632503092.db2.gz LLYSBOWKEJKTSL-OLZOCXBDSA-N 0 0 278.371 2.503 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000816662313 632507449 /nfs/dbraw/zinc/50/74/49/632507449.db2.gz MHABPFNLJSMSBJ-KRWDZBQOSA-N 0 0 293.407 2.631 20 10 CFCDRN O=C(CCc1ccon1)NCc1ccc(N2CCCC2)cc1 ZINC000816866078 632530317 /nfs/dbraw/zinc/53/03/17/632530317.db2.gz GMPOVOCMROGXIW-UHFFFAOYSA-N 0 0 299.374 2.524 20 10 CFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[S@@](C)=O ZINC000817298457 632598816 /nfs/dbraw/zinc/59/88/16/632598816.db2.gz MBHDPTWPODGKNH-JLTOFOAXSA-N 0 0 295.448 2.708 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000845997664 632610947 /nfs/dbraw/zinc/61/09/47/632610947.db2.gz BGRIUAYBJPRVCZ-UHFFFAOYSA-N 0 0 269.348 2.999 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(CN(C)C)s2)cc1 ZINC000845998446 632611314 /nfs/dbraw/zinc/61/13/14/632611314.db2.gz MZFTWPKZXJJWFU-UHFFFAOYSA-N 0 0 291.420 2.850 20 10 CFCDRN CN(C)C(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381228 632618250 /nfs/dbraw/zinc/61/82/50/632618250.db2.gz CXDLHKPKNYNRON-UHFFFAOYSA-N 0 0 296.798 2.797 20 10 CFCDRN COCc1cnc(CNCc2cc(Cl)ccc2O)s1 ZINC000846054382 632625083 /nfs/dbraw/zinc/62/50/83/632625083.db2.gz AJYZGNUWGAKNCH-UHFFFAOYSA-N 0 0 298.795 2.938 20 10 CFCDRN CN1CCC[C@@H]1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000817417110 632627597 /nfs/dbraw/zinc/62/75/97/632627597.db2.gz DABIGHGAWVBCBK-GFCCVEGCSA-N 0 0 286.778 2.711 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CC2(F)F)c1 ZINC000817549063 632660417 /nfs/dbraw/zinc/66/04/17/632660417.db2.gz HOEQLGHFBZGJAF-OQPBUACISA-N 0 0 285.290 2.623 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)CCF)c1cccc(Cl)c1[O-] ZINC000846207762 632661048 /nfs/dbraw/zinc/66/10/48/632661048.db2.gz DPLNYYYMFMWJMV-CABZTGNLSA-N 0 0 275.751 2.807 20 10 CFCDRN C[C@H]([NH2+]CCC1(CO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846210732 632661875 /nfs/dbraw/zinc/66/18/75/632661875.db2.gz OPQNTQRRUDOOJT-NSHDSACASA-N 0 0 294.351 2.504 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000846273272 632679623 /nfs/dbraw/zinc/67/96/23/632679623.db2.gz VDHZWEXSCQHEED-QGZVFWFLSA-N 0 0 290.407 2.748 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846311266 632688527 /nfs/dbraw/zinc/68/85/27/632688527.db2.gz VNFBHBXWGANCIS-GFCCVEGCSA-N 0 0 267.279 2.532 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1O ZINC000846371929 632699534 /nfs/dbraw/zinc/69/95/34/632699534.db2.gz FOCWSUBSMLPCIT-GXSJLCMTSA-N 0 0 263.337 2.652 20 10 CFCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474243 632716006 /nfs/dbraw/zinc/71/60/06/632716006.db2.gz SKWQIIHSGYAVGI-ZANVPECISA-N 0 0 285.771 2.723 20 10 CFCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)n1cccn1 ZINC000846475275 632716416 /nfs/dbraw/zinc/71/64/16/632716416.db2.gz BLMZTHGPDXIRBI-JTQLQIEISA-N 0 0 293.754 2.510 20 10 CFCDRN CC[C@H]1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474730 632716559 /nfs/dbraw/zinc/71/65/59/632716559.db2.gz BDABBGXEGZUNMF-AAEUAGOBSA-N 0 0 283.755 2.619 20 10 CFCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474659 632716639 /nfs/dbraw/zinc/71/66/39/632716639.db2.gz YRTCQUAQOYEOIL-ZJUUUORDSA-N 0 0 295.766 2.667 20 10 CFCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474657 632716685 /nfs/dbraw/zinc/71/66/85/632716685.db2.gz YRTCQUAQOYEOIL-UWVGGRQHSA-N 0 0 295.766 2.667 20 10 CFCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)n1ccnc1 ZINC000846476551 632717362 /nfs/dbraw/zinc/71/73/62/632717362.db2.gz NGTMJLBQBOMKMR-SNVBAGLBSA-N 0 0 293.754 2.510 20 10 CFCDRN O=C(CCCC(=O)C1CC1)NCc1cc(Cl)ccc1O ZINC000846476465 632717627 /nfs/dbraw/zinc/71/76/27/632717627.db2.gz MXAZKGLAQCNMLC-UHFFFAOYSA-N 0 0 295.766 2.811 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C ZINC000817881993 632717649 /nfs/dbraw/zinc/71/76/49/632717649.db2.gz SYTUKONOHQFOHR-QMTHXVAHSA-N 0 0 277.364 2.552 20 10 CFCDRN Cc1ccc2c(c1)N[C@@H](c1ccc3c(c1)CCN3C)NC2=O ZINC000846758300 632788134 /nfs/dbraw/zinc/78/81/34/632788134.db2.gz BCYOXVNMPZQLDT-QGZVFWFLSA-N 0 0 293.370 2.841 20 10 CFCDRN CCN1C[C@@H](CN(C)c2ccc(OC)c(Cl)c2)OC1=O ZINC000846816047 632808331 /nfs/dbraw/zinc/80/83/31/632808331.db2.gz UENFAWWTHODNIE-LLVKDONJSA-N 0 0 298.770 2.626 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818359414 632838028 /nfs/dbraw/zinc/83/80/28/632838028.db2.gz JVECHNJCRYNXLM-FOUMNBMASA-N 0 0 275.348 2.628 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000818544765 632863677 /nfs/dbraw/zinc/86/36/77/632863677.db2.gz MVPUWLQPWKYRBZ-AWEZNQCLSA-N 0 0 258.365 2.508 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000818631670 632884431 /nfs/dbraw/zinc/88/44/31/632884431.db2.gz MLWYEGLSHQLWBO-UHFFFAOYSA-N 0 0 278.396 2.733 20 10 CFCDRN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc(O)c1O ZINC000818731121 632895104 /nfs/dbraw/zinc/89/51/04/632895104.db2.gz PDMROSXHQHCSLI-LBPRGKRZSA-N 0 0 299.326 2.854 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N2CCCc3cccnc32)s1 ZINC000847145328 632936862 /nfs/dbraw/zinc/93/68/62/632936862.db2.gz XOJRGPJZNXXSQU-SREVYHEPSA-N 0 0 285.372 2.839 20 10 CFCDRN CC[C@H]1C(=O)NCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000106855668 632986081 /nfs/dbraw/zinc/98/60/81/632986081.db2.gz ABMFKTIGWRANCA-HNNXBMFYSA-N 0 0 290.407 2.534 20 10 CFCDRN CC[C@@H](C)[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165786 632994422 /nfs/dbraw/zinc/99/44/22/632994422.db2.gz ZYWQQWYMNPBUMJ-NEPJUHHUSA-N 0 0 290.363 2.591 20 10 CFCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000819398922 633147362 /nfs/dbraw/zinc/14/73/62/633147362.db2.gz QMJYGEXECQVBGZ-ZYHUDNBSSA-N 0 0 263.337 2.540 20 10 CFCDRN CCCCOc1ccccc1NC[C@@H](O)COCC ZINC000819420572 633156159 /nfs/dbraw/zinc/15/61/59/633156159.db2.gz QSRLGCGRNAJPDG-CYBMUJFWSA-N 0 0 267.369 2.675 20 10 CFCDRN CC(C)COC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819452840 633167411 /nfs/dbraw/zinc/16/74/11/633167411.db2.gz VMWWCHVZNQDXCZ-HNNXBMFYSA-N 0 0 293.407 2.921 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000819519869 633199431 /nfs/dbraw/zinc/19/94/31/633199431.db2.gz CDZNBRFACSKVSU-BXUZGUMPSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc2c(c1)CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000848498294 633267454 /nfs/dbraw/zinc/26/74/54/633267454.db2.gz ASFWYHBNFQUBAJ-UHFFFAOYSA-N 0 0 299.326 2.645 20 10 CFCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 ZINC000848595047 633297500 /nfs/dbraw/zinc/29/75/00/633297500.db2.gz RPIDYOYRKHYVIA-KBPBESRZSA-N 0 0 277.368 2.738 20 10 CFCDRN Cc1nsc(C)c1COC(=O)C1=CC(=O)CS1 ZINC000848718733 633323903 /nfs/dbraw/zinc/32/39/03/633323903.db2.gz QLHRGPGTZVJDSM-UHFFFAOYSA-N 0 0 269.347 2.884 20 10 CFCDRN CC(=O)N1CCC(Sc2ncc(Cl)s2)CC1 ZINC000848749774 633334230 /nfs/dbraw/zinc/33/42/30/633334230.db2.gz YHWNATYLDHKPHQ-UHFFFAOYSA-N 0 0 276.814 2.900 20 10 CFCDRN CCc1cccc(CN[C@H](C(=O)OC)C(C)(C)C)c1O ZINC000848900341 633388048 /nfs/dbraw/zinc/38/80/48/633388048.db2.gz DXFHMVMYGRLJCX-CQSZACIVSA-N 0 0 279.380 2.632 20 10 CFCDRN CCc1cccc(CN[C@H](C(=O)OC)c2ccccc2)c1O ZINC000848903699 633390388 /nfs/dbraw/zinc/39/03/88/633390388.db2.gz XRNJOLDNAAPBTR-INIZCTEOSA-N 0 0 299.370 2.959 20 10 CFCDRN CCc1cccc(CN2CCOC[C@H]2CC(F)F)c1O ZINC000848911144 633396750 /nfs/dbraw/zinc/39/67/50/633396750.db2.gz QMRDUHRLLOVQBD-CYBMUJFWSA-N 0 0 285.334 2.811 20 10 CFCDRN CCOc1cccc(CN(C)[C@@H](C)c2nc(C)no2)c1O ZINC000848925739 633408383 /nfs/dbraw/zinc/40/83/83/633408383.db2.gz IHACXXNNUOQBLV-JTQLQIEISA-N 0 0 291.351 2.675 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2cccc(C)c2O)n1 ZINC000848925940 633408965 /nfs/dbraw/zinc/40/89/65/633408965.db2.gz OASUCDYZFRPQCI-JTQLQIEISA-N 0 0 261.325 2.585 20 10 CFCDRN Cc1noc(CN(C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000848927547 633410234 /nfs/dbraw/zinc/41/02/34/633410234.db2.gz HLOFNEHPOAMHBE-UHFFFAOYSA-N 0 0 281.743 2.677 20 10 CFCDRN COCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295078 633567911 /nfs/dbraw/zinc/56/79/11/633567911.db2.gz VPLZGXRMOMHGDY-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN Cc1cc(O)c(CNc2nnc(C3CC3)n2C)c(Cl)c1 ZINC000849346850 633625101 /nfs/dbraw/zinc/62/51/01/633625101.db2.gz DRNLLPVPKOCOQM-UHFFFAOYSA-N 0 0 292.770 2.972 20 10 CFCDRN O=[N+]([O-])c1ccn(CCSc2ncc(Cl)s2)n1 ZINC000850000382 633786558 /nfs/dbraw/zinc/78/65/58/633786558.db2.gz SQKGXTKCTGNSHR-UHFFFAOYSA-N 0 0 290.757 2.694 20 10 CFCDRN O=C1NCCCC[C@@H]1Sc1ncc(Cl)s1 ZINC000849999803 633786804 /nfs/dbraw/zinc/78/68/04/633786804.db2.gz YOYXSLGNPCWZHH-LURJTMIESA-N 0 0 262.787 2.557 20 10 CFCDRN CN1CCCc2cc(CNCc3cc4n(n3)CCC4)ccc21 ZINC000850099112 633839470 /nfs/dbraw/zinc/83/94/70/633839470.db2.gz DZIAMKDIBVJVOL-UHFFFAOYSA-N 0 0 296.418 2.502 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000850341283 633945943 /nfs/dbraw/zinc/94/59/43/633945943.db2.gz FPPKUMDHVNVQRS-NSHDSACASA-N 0 0 287.319 2.589 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850498869 634018932 /nfs/dbraw/zinc/01/89/32/634018932.db2.gz FDXJZWFJWRAUQH-ICCXJUOJSA-N 0 0 290.342 2.870 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850503471 634021079 /nfs/dbraw/zinc/02/10/79/634021079.db2.gz XDVOKWOAIKPNFP-SPQIJUHKSA-N 0 0 299.411 2.872 20 10 CFCDRN CC[C@H](NCc1cn(CC)nn1)c1ccc(N(C)C)cc1 ZINC000850522212 634030047 /nfs/dbraw/zinc/03/00/47/634030047.db2.gz IYHIGFABSXKFKD-INIZCTEOSA-N 0 0 287.411 2.605 20 10 CFCDRN Cc1cncc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000850550709 634049779 /nfs/dbraw/zinc/04/97/79/634049779.db2.gz PNTOAQXRQFTTIE-JTQLQIEISA-N 0 0 293.317 2.662 20 10 CFCDRN CO[C@H](CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000850750259 634078159 /nfs/dbraw/zinc/07/81/59/634078159.db2.gz IWVAEKCVNWVYFW-OAHLLOKOSA-N 0 0 291.395 2.986 20 10 CFCDRN Cn1ncc(C2CCC2)c1CNC(=O)Nc1ccc(N)cc1 ZINC000850750249 634078235 /nfs/dbraw/zinc/07/82/35/634078235.db2.gz IUJYOHBMQLBOQY-UHFFFAOYSA-N 0 0 299.378 2.592 20 10 CFCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1cccnc1 ZINC000852872045 634852437 /nfs/dbraw/zinc/85/24/37/634852437.db2.gz ADGOARLKPYAGMU-QGZVFWFLSA-N 0 0 295.386 2.816 20 10 CFCDRN CCCn1nccc1/C=C1\SC(=S)N(CC)C1=O ZINC000853000725 634872288 /nfs/dbraw/zinc/87/22/88/634872288.db2.gz 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ZINC000871872172 641493028 /nfs/dbraw/zinc/49/30/28/641493028.db2.gz KDUGSAOMTOWEDS-OAHLLOKOSA-N 0 0 279.380 2.983 20 10 CFCDRN CCCOc1ccc(C[NH2+]CCCC(=O)[O-])cc1C ZINC000871878757 641496423 /nfs/dbraw/zinc/49/64/23/641496423.db2.gz UPJFRKQLMXCFSS-UHFFFAOYSA-N 0 0 265.353 2.738 20 10 CFCDRN Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000019260128 641509692 /nfs/dbraw/zinc/50/96/92/641509692.db2.gz RKVCPIQXDOGWKL-UHFFFAOYSA-N 0 0 267.288 2.591 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N)cc1 ZINC000019274398 641514826 /nfs/dbraw/zinc/51/48/26/641514826.db2.gz PNPRHZYDMYREER-BXUZGUMPSA-N 0 0 262.353 2.803 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000872125951 641653382 /nfs/dbraw/zinc/65/33/82/641653382.db2.gz HZNOKNNNZHAAFX-OPRDCNLKSA-N 0 0 289.297 2.833 20 10 CFCDRN Cc1nonc1CN[C@@H](C)c1ccc(Cl)cc1O ZINC000872135509 641664100 /nfs/dbraw/zinc/66/41/00/641664100.db2.gz HYFBDHJBEHDDGK-ZETCQYMHSA-N 0 0 267.716 2.588 20 10 CFCDRN CC(C)COc1ccccc1NC[C@H](O)CC(C)(C)O ZINC000872212880 641704689 /nfs/dbraw/zinc/70/46/89/641704689.db2.gz PHXSUGCMUIXRFW-CYBMUJFWSA-N 0 0 281.396 2.655 20 10 CFCDRN COc1cc(CN2CC(OC(C)(C)C)C2)c(O)cc1C ZINC000872752072 641921041 /nfs/dbraw/zinc/92/10/41/641921041.db2.gz URSHUYOKDTWQCG-UHFFFAOYSA-N 0 0 279.380 2.709 20 10 CFCDRN CCCOc1ccc(CN[C@H](C)c2ncn(C)n2)cc1C ZINC000873111731 642015425 /nfs/dbraw/zinc/01/54/25/642015425.db2.gz GROQAFJKAZSYBY-CYBMUJFWSA-N 0 0 288.395 2.763 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000873125633 642019808 /nfs/dbraw/zinc/01/98/08/642019808.db2.gz OUUZGEHMPOEOBG-RYUDHWBXSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CC12CCC2)c1ccccc1O ZINC000873267777 642110522 /nfs/dbraw/zinc/11/05/22/642110522.db2.gz JJRGSTOJXXCSPK-GXFFZTMASA-N 0 0 260.337 2.695 20 10 CFCDRN CC1(C)CCc2onc(C(=O)NCc3ccc(N)cc3)c2C1 ZINC000873298881 642129647 /nfs/dbraw/zinc/12/96/47/642129647.db2.gz MGQYFQKBVFVZIX-UHFFFAOYSA-N 0 0 299.374 2.702 20 10 CFCDRN COCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194940700 650733349 /nfs/dbraw/zinc/73/33/49/650733349.db2.gz HQSCNBCDBOUQOK-UHFFFAOYSA-N 0 0 290.407 2.720 20 10 CFCDRN CCOC(CN(C)c1ccc(OC)c(F)c1)OCC ZINC000124642717 642293339 /nfs/dbraw/zinc/29/33/39/642293339.db2.gz ATWNKSZRFWDZQY-UHFFFAOYSA-N 0 0 271.332 2.670 20 10 CFCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000124826246 642338426 /nfs/dbraw/zinc/33/84/26/642338426.db2.gz CHSLKHDIGFEOMF-LBPRGKRZSA-N 0 0 257.761 2.806 20 10 CFCDRN COc1ccc(C(=O)Nc2ccc(N)cc2)cc1OC ZINC000020327100 642360632 /nfs/dbraw/zinc/36/06/32/642360632.db2.gz UNCHKOLWTXMPSV-UHFFFAOYSA-N 0 0 272.304 2.538 20 10 CFCDRN CC[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874454779 642389694 /nfs/dbraw/zinc/38/96/94/642389694.db2.gz MCXMLFFUYWHLOI-JTQLQIEISA-N 0 0 276.340 2.967 20 10 CFCDRN CC(C)c1nsc(NC(=O)C2=CC(=O)CS2)n1 ZINC000874693820 642454493 /nfs/dbraw/zinc/45/44/93/642454493.db2.gz SJWJHLRXSJIECN-UHFFFAOYSA-N 0 0 269.351 2.681 20 10 CFCDRN C[C@H](Cc1ccco1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875081657 642583004 /nfs/dbraw/zinc/58/30/04/642583004.db2.gz NQYMDUACPSZAEQ-LLVKDONJSA-N 0 0 286.331 2.642 20 10 CFCDRN COc1ccc(CNc2nc3ccccc3[nH]2)c(O)c1 ZINC000083513325 650763608 /nfs/dbraw/zinc/76/36/08/650763608.db2.gz UFMYTCJUHNEVNK-UHFFFAOYSA-N 0 0 269.304 2.889 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875150004 642591302 /nfs/dbraw/zinc/59/13/02/642591302.db2.gz DFBLCECUUCDIBK-ZBFHGGJFSA-N 0 0 294.354 2.974 20 10 CFCDRN O=C(N[C@H]1C[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875150003 642591314 /nfs/dbraw/zinc/59/13/14/642591314.db2.gz DFBLCECUUCDIBK-HOCLYGCPSA-N 0 0 294.354 2.974 20 10 CFCDRN Cc1cccc(CCNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875186398 642594897 /nfs/dbraw/zinc/59/48/97/642594897.db2.gz ZIMDRRWFTAERGJ-UHFFFAOYSA-N 0 0 296.370 2.969 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCCCC2CC2)c1 ZINC000875290240 642604384 /nfs/dbraw/zinc/60/43/84/642604384.db2.gz SXSANRZDXAVDQX-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN CCON(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000875301320 642604910 /nfs/dbraw/zinc/60/49/10/642604910.db2.gz QWIBHRFYQTZSEL-UHFFFAOYSA-N 0 0 279.384 2.544 20 10 CFCDRN O=C(NCCC1CCC1)N1Cc2cccc(O)c2C1 ZINC000875367989 642613841 /nfs/dbraw/zinc/61/38/41/642613841.db2.gz GGSJDHXXPOWPEV-UHFFFAOYSA-N 0 0 260.337 2.608 20 10 CFCDRN CC(C)OCCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875480118 642628471 /nfs/dbraw/zinc/62/84/71/642628471.db2.gz HHDPLEAIXAEOBD-UHFFFAOYSA-N 0 0 292.379 2.623 20 10 CFCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000875709810 642672160 /nfs/dbraw/zinc/67/21/60/642672160.db2.gz RZBWNWLALGCQKP-GFCCVEGCSA-N 0 0 297.358 2.616 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)N1Cc2cccc(O)c2C1 ZINC000875737108 642676785 /nfs/dbraw/zinc/67/67/85/642676785.db2.gz AVOBZNBZZRRFAJ-SGMGOOAPSA-N 0 0 286.375 2.854 20 10 CFCDRN CC(C)(C(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 ZINC000876504122 642896089 /nfs/dbraw/zinc/89/60/89/642896089.db2.gz KALCZQTYNKIPBF-CYBMUJFWSA-N 0 0 262.353 2.803 20 10 CFCDRN Nc1ccc(NC(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000876503651 642896442 /nfs/dbraw/zinc/89/64/42/642896442.db2.gz AYCTWNVVKLBTCT-UHFFFAOYSA-N 0 0 284.363 2.908 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000086755317 650797468 /nfs/dbraw/zinc/79/74/68/650797468.db2.gz HAAUMSUGKCNJII-AWEZNQCLSA-N 0 0 277.364 2.920 20 10 CFCDRN Cc1nc(C2CC2)ccc1C(=O)NCCc1ccc(N)cc1 ZINC000876527502 642905828 /nfs/dbraw/zinc/90/58/28/642905828.db2.gz HXLZDLWOTNXSNH-UHFFFAOYSA-N 0 0 295.386 2.822 20 10 CFCDRN Cc1ccc(CN2CCOC[C@H]2c2ccco2)c(O)c1 ZINC000876729120 642985922 /nfs/dbraw/zinc/98/59/22/642985922.db2.gz FESXLDYZENCXBP-AWEZNQCLSA-N 0 0 273.332 2.867 20 10 CFCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000876748226 642992949 /nfs/dbraw/zinc/99/29/49/642992949.db2.gz YXPZXGZQRAGMAZ-UHFFFAOYSA-N 0 0 273.348 2.998 20 10 CFCDRN CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876775361 643004988 /nfs/dbraw/zinc/00/49/88/643004988.db2.gz VNTBCJXHEVBBCU-GFCCVEGCSA-N 0 0 298.377 2.834 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000876781131 643006081 /nfs/dbraw/zinc/00/60/81/643006081.db2.gz KAGSOCXMYRHDTQ-KGLIPLIRSA-N 0 0 261.365 2.559 20 10 CFCDRN CSC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876777894 643006446 /nfs/dbraw/zinc/00/64/46/643006446.db2.gz SGOXOACOMAUHPI-JTQLQIEISA-N 0 0 273.348 2.998 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000876783179 643006876 /nfs/dbraw/zinc/00/68/76/643006876.db2.gz WDQZGRSQRCCTNO-ZYHUDNBSSA-N 0 0 283.318 2.529 20 10 CFCDRN O=C(Nc1cccc2ncccc21)c1cccc(O)c1O ZINC000126205068 643048545 /nfs/dbraw/zinc/04/85/45/643048545.db2.gz KYTZXBDGJRROCE-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN CCc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126227528 643055410 /nfs/dbraw/zinc/05/54/10/643055410.db2.gz BJMMWLDVJIDUDT-UHFFFAOYSA-N 0 0 257.289 2.913 20 10 CFCDRN Cc1nocc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000888733112 643064168 /nfs/dbraw/zinc/06/41/68/643064168.db2.gz AHWPOHUMTZYHEL-JTQLQIEISA-N 0 0 288.351 2.932 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000126298940 643110098 /nfs/dbraw/zinc/11/00/98/643110098.db2.gz NKYPBOQCKCXCTO-JQWIXIFHSA-N 0 0 263.337 2.796 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064919 643130120 /nfs/dbraw/zinc/13/01/20/643130120.db2.gz GFEYFLWJCBMIOL-MWLCHTKSSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H](CO)c2ccccc2)ccc(F)c1F ZINC000877073775 643136403 /nfs/dbraw/zinc/13/64/03/643136403.db2.gz SAHJKLBAIIQRFC-ZDUSSCGKSA-N 0 0 293.313 2.536 20 10 CFCDRN Cc1nc(CC2CC2)oc1C(=O)N(C)c1ccc(N)cc1 ZINC000877075282 643137650 /nfs/dbraw/zinc/13/76/50/643137650.db2.gz BZNYWHSFWICZTB-UHFFFAOYSA-N 0 0 285.347 2.794 20 10 CFCDRN C[C@@H](CC(=O)N(C)c1ccc(N)cc1)c1cccnc1 ZINC000877077295 643138364 /nfs/dbraw/zinc/13/83/64/643138364.db2.gz BSXUAELZCDUAJM-LBPRGKRZSA-N 0 0 269.348 2.820 20 10 CFCDRN CCc1c(C(=O)N(C)c2ccc(N)cc2)[nH]c(C)c1C(C)=O ZINC000877078102 643139453 /nfs/dbraw/zinc/13/94/53/643139453.db2.gz CZHFVULESIFDRN-UHFFFAOYSA-N 0 0 299.374 2.947 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCCc3cn[nH]c32)ccc(F)c1F ZINC000877110533 643156741 /nfs/dbraw/zinc/15/67/41/643156741.db2.gz XTYQGUHCVPDPIX-NSHDSACASA-N 0 0 279.290 2.561 20 10 CFCDRN CCC(CC)(CO)C[NH2+]Cc1c(C)cccc1O ZINC000877120811 643161696 /nfs/dbraw/zinc/16/16/96/643161696.db2.gz JGSKYELGKSBZIB-UHFFFAOYSA-N 0 0 251.370 2.589 20 10 CFCDRN Cc1nn(C)c2ncc(NCc3ccc(C)cc3O)cc12 ZINC000877180070 643191212 /nfs/dbraw/zinc/19/12/12/643191212.db2.gz DIDVATZEWZLSHB-UHFFFAOYSA-N 0 0 282.347 2.903 20 10 CFCDRN COc1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000877179973 643191818 /nfs/dbraw/zinc/19/18/18/643191818.db2.gz MAYXNZAFGQXKNU-UHFFFAOYSA-N 0 0 278.333 2.517 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc(F)c1F ZINC000877189395 643197087 /nfs/dbraw/zinc/19/70/87/643197087.db2.gz OOOYSYYFSVUFGR-SECBINFHSA-N 0 0 293.260 2.874 20 10 CFCDRN CCC[C@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC000877342315 643243222 /nfs/dbraw/zinc/24/32/22/643243222.db2.gz LUBRSVQMNZECFV-CYBMUJFWSA-N 0 0 267.369 2.955 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@H]1C1CC1 ZINC000877394586 643257526 /nfs/dbraw/zinc/25/75/26/643257526.db2.gz FHSJQXYIUFWGJP-JKSUJKDBSA-N 0 0 297.345 2.965 20 10 CFCDRN CCC1(CC)C[N@H+](Cc2ccc(C)cc2O)CC[S@]1=O ZINC000877399675 643259415 /nfs/dbraw/zinc/25/94/15/643259415.db2.gz PEKBNXKNCSZFET-HXUWFJFHSA-N 0 0 295.448 2.824 20 10 CFCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000126520553 643263286 /nfs/dbraw/zinc/26/32/86/643263286.db2.gz JIOJJZUYTAOZIE-VIFPVBQESA-N 0 0 251.326 2.510 20 10 CFCDRN CC[C@]1(CO)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877438642 643272768 /nfs/dbraw/zinc/27/27/68/643272768.db2.gz MMOPKYJABLVZDU-HNNXBMFYSA-N 0 0 285.334 2.655 20 10 CFCDRN Cc1ccc(CN(CCO)c2ccccc2)c(O)c1 ZINC000877465651 643286301 /nfs/dbraw/zinc/28/63/01/643286301.db2.gz VGIVFPNVZHEUAK-UHFFFAOYSA-N 0 0 257.333 2.700 20 10 CFCDRN CC(C)(C)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000126538338 643289922 /nfs/dbraw/zinc/28/99/22/643289922.db2.gz ZMFUFRNGIJMQCE-JTQLQIEISA-N 0 0 263.337 2.606 20 10 CFCDRN Cc1cc(NCc2c(C)cccc2O)cc(OCCO)c1 ZINC000877483163 643299104 /nfs/dbraw/zinc/29/91/04/643299104.db2.gz KXXJHJFKAPRIKU-UHFFFAOYSA-N 0 0 287.359 2.992 20 10 CFCDRN COC(=O)CC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000877487895 643303282 /nfs/dbraw/zinc/30/32/82/643303282.db2.gz XCFVYOVVXKEHMI-UHFFFAOYSA-N 0 0 299.317 2.636 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089159926 650829071 /nfs/dbraw/zinc/82/90/71/650829071.db2.gz GPRFTUWKEQTCSP-PELKAZGASA-N 0 0 290.190 2.950 20 10 CFCDRN Cc1ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c(O)c1 ZINC000877515968 643321688 /nfs/dbraw/zinc/32/16/88/643321688.db2.gz AHQBSSSTCMANHL-GXFFZTMASA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1ccc(CN2C[C@@H](C)NC(=O)c3ccccc32)c(O)c1 ZINC000877537781 643341231 /nfs/dbraw/zinc/34/12/31/643341231.db2.gz VLSGEYRGGWHCHK-CYBMUJFWSA-N 0 0 296.370 2.839 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(C)C ZINC000877592623 643385169 /nfs/dbraw/zinc/38/51/69/643385169.db2.gz IVLWIHSTNSCKCY-LLVKDONJSA-N 0 0 273.323 2.821 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877617425 643403341 /nfs/dbraw/zinc/40/33/41/643403341.db2.gz WBYMDMALXWJMLH-GFCCVEGCSA-N 0 0 275.245 2.902 20 10 CFCDRN Cc1ccc(CNc2cccc3c2CCN(C)C3=O)c(O)c1 ZINC000877630754 643415053 /nfs/dbraw/zinc/41/50/53/643415053.db2.gz LKYBCXSCJGLUJL-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN CC(C)(O)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877751555 643527719 /nfs/dbraw/zinc/52/77/19/643527719.db2.gz DWTDSVMQRKDBCK-UHFFFAOYSA-N 0 0 285.334 2.653 20 10 CFCDRN CC(C)(O)[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877835928 643602194 /nfs/dbraw/zinc/60/21/94/643602194.db2.gz JQFKAMCNCKQIQT-VIFPVBQESA-N 0 0 287.762 2.778 20 10 CFCDRN CCOc1cccc([C@H]2Nc3ccc(C)cc3C(=O)N2)c1O ZINC000877862111 643610555 /nfs/dbraw/zinc/61/05/55/643610555.db2.gz SCZLCNWTPODSJF-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(N(C)C)cc1)N2 ZINC000877862834 643611086 /nfs/dbraw/zinc/61/10/86/643611086.db2.gz AXPZAHMXKLQMFE-MRXNPFEDSA-N 0 0 281.359 2.915 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCO[C@H]1C ZINC000877944934 643657296 /nfs/dbraw/zinc/65/72/96/643657296.db2.gz WGGLBROLWYRZQI-JSGCOSHPSA-N 0 0 261.365 2.873 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCO[C@@H]1C ZINC000877944938 643657683 /nfs/dbraw/zinc/65/76/83/643657683.db2.gz WGGLBROLWYRZQI-TZMCWYRMSA-N 0 0 261.365 2.873 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H]2C)cc1F ZINC000878185653 643783610 /nfs/dbraw/zinc/78/36/10/643783610.db2.gz BYJKPHULDUQALG-GHMZBOCLSA-N 0 0 253.317 2.696 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@H](OC)C2)cc1F ZINC000878185594 643784031 /nfs/dbraw/zinc/78/40/31/643784031.db2.gz AWALZUKZRPUCRV-KLPPZKSPSA-N 0 0 253.317 2.696 20 10 CFCDRN CCN(CC(=O)Nc1ncccc1C)c1ccc(OC)cc1 ZINC000878219690 643797599 /nfs/dbraw/zinc/79/75/99/643797599.db2.gz PPIMUJBKASLOFH-UHFFFAOYSA-N 0 0 299.374 2.864 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3C3CC3)ccc21 ZINC000246595096 650875923 /nfs/dbraw/zinc/87/59/23/650875923.db2.gz VIYVUEOBFUQCLS-HOTGVXAUSA-N 0 0 284.403 2.731 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CC=CC1 ZINC000127071263 643857460 /nfs/dbraw/zinc/85/74/60/643857460.db2.gz DIKYEGQHTAJMNF-UHFFFAOYSA-N 0 0 286.375 2.789 20 10 CFCDRN CN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S ZINC000209721642 644122316 /nfs/dbraw/zinc/12/23/16/644122316.db2.gz TUDFVWNSGVDAPW-WTKPLQERSA-N 0 0 271.313 2.796 20 10 CFCDRN CCOc1ccc(N(Cc2nnc(C)[nH]2)CC2CC2)cc1 ZINC000879117352 644149204 /nfs/dbraw/zinc/14/92/04/644149204.db2.gz QDMHXUZIYHABTJ-UHFFFAOYSA-N 0 0 286.379 2.928 20 10 CFCDRN CCC[C@@H](N[C@H](C)c1ccccc1O)C(=O)OCC ZINC000879648323 644361717 /nfs/dbraw/zinc/36/17/17/644361717.db2.gz JYECKJBTHOUCDR-DGCLKSJQSA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@H](NCc1nc(C(F)F)no1)c1ccccc1O ZINC000879650336 644364653 /nfs/dbraw/zinc/36/46/53/644364653.db2.gz VOSSMHNMUNSVQC-ZETCQYMHSA-N 0 0 269.251 2.564 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000127925752 644377141 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[O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000883028286 645569317 /nfs/dbraw/zinc/56/93/17/645569317.db2.gz FRWPWYVKUDJPAH-ZDUSSCGKSA-N 0 0 293.313 2.536 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000883089477 645600623 /nfs/dbraw/zinc/60/06/23/645600623.db2.gz LANPAHIAYVOTOI-JKSUJKDBSA-N 0 0 297.345 2.965 20 10 CFCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883130528 645617916 /nfs/dbraw/zinc/61/79/16/645617916.db2.gz INBFGUNLIMYBGX-OAHLLOKOSA-N 0 0 285.334 2.701 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000883134894 645619833 /nfs/dbraw/zinc/61/98/33/645619833.db2.gz NORDNVCYBVPAAU-UKRRQHHQSA-N 0 0 297.345 2.557 20 10 CFCDRN CC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883146833 645625944 /nfs/dbraw/zinc/62/59/44/645625944.db2.gz ATULSJCIAHMNGO-NEPJUHHUSA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1ccco1 ZINC000883180698 645644865 /nfs/dbraw/zinc/64/48/65/645644865.db2.gz 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HCEODODCAYDLSB-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN O=C(NCc1ccccc1O)c1nccc2ccccc21 ZINC000133832588 646237873 /nfs/dbraw/zinc/23/78/73/646237873.db2.gz LMTLQOJMTIMYSF-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCO[C@H]1CCOC1 ZINC000930142023 646491747 /nfs/dbraw/zinc/49/17/47/646491747.db2.gz FWYYQBARYWCSDZ-INIZCTEOSA-N 0 0 291.391 2.643 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(F)c1 ZINC000135784350 646624159 /nfs/dbraw/zinc/62/41/59/646624159.db2.gz GPFVQWHABMWVAH-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC000136486298 646839553 /nfs/dbraw/zinc/83/95/53/646839553.db2.gz BULBMGCUILESGQ-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN CCN(CC)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489525 647016944 /nfs/dbraw/zinc/01/69/44/647016944.db2.gz KWOCUMNNMYTTLO-NSHDSACASA-N 0 0 254.349 2.524 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886489650 647017046 /nfs/dbraw/zinc/01/70/46/647017046.db2.gz NQSNMHXNLVMZRS-ABAIWWIYSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886512239 647024387 /nfs/dbraw/zinc/02/43/87/647024387.db2.gz AEIHJYPGXRKBFC-MNOVXSKESA-N 0 0 253.317 2.751 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522949 647027907 /nfs/dbraw/zinc/02/79/07/647027907.db2.gz UFKWPZFPDITYNZ-KOLCDFICSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1c([O-])cccc1F ZINC000886526434 647029808 /nfs/dbraw/zinc/02/98/08/647029808.db2.gz MDKIGWDZEAFPST-IINYFYTJSA-N 0 0 253.317 2.609 20 10 CFCDRN Cc1noc(CCC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886545433 647041994 /nfs/dbraw/zinc/04/19/94/647041994.db2.gz MJSXAIGMXOEPEU-VIFPVBQESA-N 0 0 279.315 2.506 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1c([O-])cccc1F ZINC000886556672 647046336 /nfs/dbraw/zinc/04/63/36/647046336.db2.gz HQQSHYJAUZUQLJ-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886561522 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C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1c([O-])cccc1F ZINC000886622659 647073231 /nfs/dbraw/zinc/07/32/31/647073231.db2.gz ZOUJXYRRFVJVRL-SNVBAGLBSA-N 0 0 269.360 2.979 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886625450 647074344 /nfs/dbraw/zinc/07/43/44/647074344.db2.gz RMLBWKNWZCPLGF-QWRGUYRKSA-N 0 0 255.333 2.855 20 10 CFCDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1c([O-])cccc1F ZINC000886628346 647076117 /nfs/dbraw/zinc/07/61/17/647076117.db2.gz NOYBTLVFAHWBNN-NSHDSACASA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1c([O-])cccc1F ZINC000886634436 647079692 /nfs/dbraw/zinc/07/96/92/647079692.db2.gz DRTAVQLNWHMTEL-ZJUUUORDSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886642868 647083839 /nfs/dbraw/zinc/08/38/39/647083839.db2.gz CONCOGSLBQJURV-NURSFMCSSA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886643469 647084828 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CFCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)C=CCC2)cc1 ZINC000929401233 649045392 /nfs/dbraw/zinc/04/53/92/649045392.db2.gz CTYLXANTCZIENN-MRXNPFEDSA-N 0 0 258.365 2.725 20 10 CFCDRN CCOc1ccc(N(C)Cc2cnn(CCF)c2)cc1 ZINC000929697763 649100100 /nfs/dbraw/zinc/10/01/00/649100100.db2.gz UZHJOVSORBTGQH-UHFFFAOYSA-N 0 0 277.343 2.888 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CCCSc3ccccc32)c1 ZINC000929795764 649124708 /nfs/dbraw/zinc/12/47/08/649124708.db2.gz LOLPORSCUDKWAM-BQYQJAHWSA-N 0 0 299.399 2.962 20 10 CFCDRN CCOCCOCCN(CC)c1ccc(OC)cc1 ZINC000929904860 649147166 /nfs/dbraw/zinc/14/71/66/649147166.db2.gz PZDCJJXHKZFROF-UHFFFAOYSA-N 0 0 267.369 2.575 20 10 CFCDRN CCOc1ccc(N(CC)CCc2nnc(C)o2)cc1 ZINC000929913345 649149244 /nfs/dbraw/zinc/14/92/44/649149244.db2.gz LUVAQPDBMSQGKY-UHFFFAOYSA-N 0 0 275.352 2.846 20 10 CFCDRN C[N@H+](CCCc1cccnc1)Cc1ccccc1O ZINC000929973305 649158181 /nfs/dbraw/zinc/15/81/81/649158181.db2.gz YLYDVXYXWDCQOL-UHFFFAOYSA-N 0 0 256.349 2.852 20 10 CFCDRN COc1ccc(N(C)CCc2ccns2)c(OC)c1 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779184561 /nfs/dbraw/zinc/18/45/61/779184561.db2.gz PVROGCZMYZCLAH-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@@]1(C)O ZINC001237809070 779185926 /nfs/dbraw/zinc/18/59/26/779185926.db2.gz YYDHGDHRQPVUMR-YMTOWFKASA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237934156 779209796 /nfs/dbraw/zinc/20/97/96/779209796.db2.gz HXILITIZWBDNEV-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN O=C1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001237934656 779211021 /nfs/dbraw/zinc/21/10/21/779211021.db2.gz MJTPFUVYOPKHKN-SNVBAGLBSA-N 0 0 289.709 2.688 20 10 CFCDRN O=C1CN(Cc2cc(F)c(Cl)cc2O)CCC[C@@H]1F ZINC001237935106 779211386 /nfs/dbraw/zinc/21/13/86/779211386.db2.gz QJNGGCSMCXPAEP-JTQLQIEISA-N 0 0 289.709 2.688 20 10 CFCDRN C[C@H]1CC[N@@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235299290 779340838 /nfs/dbraw/zinc/34/08/38/779340838.db2.gz TXQNDDXLWHRLDV-ZETCQYMHSA-N 0 0 274.133 2.888 20 10 CFCDRN CCn1ccc(-c2cc(OC(C)C)cnc2F)cc1=O ZINC001238907699 779414680 /nfs/dbraw/zinc/41/46/80/779414680.db2.gz SNHPDIAWNLBCQF-UHFFFAOYSA-N 0 0 276.311 2.857 20 10 CFCDRN Nc1ccc(CCNC(=S)NC2CCCCCC2)cc1 ZINC001239398783 779546146 /nfs/dbraw/zinc/54/61/46/779546146.db2.gz ZHYKIOVCXLSTMI-UHFFFAOYSA-N 0 0 291.464 2.998 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237798196 779717653 /nfs/dbraw/zinc/71/76/53/779717653.db2.gz AAHKJHMNFBEAIV-ZDUSSCGKSA-N 0 0 298.789 2.855 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798197 779717970 /nfs/dbraw/zinc/71/79/70/779717970.db2.gz AAPBTPIJDFTQSE-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000765101149 779879190 /nfs/dbraw/zinc/87/91/90/779879190.db2.gz WTSWZBHAAXMZII-NEPJUHHUSA-N 0 0 272.348 2.550 20 10 CFCDRN Cn1ccc2ncc(-c3cnn(C4CCOCC4)c3)cc21 ZINC001240088869 779940689 /nfs/dbraw/zinc/94/06/89/779940689.db2.gz NXJZGZFCCWXVJY-UHFFFAOYSA-N 0 0 282.347 2.788 20 10 CFCDRN Fc1ccc(-c2noc(-c3csnn3)n2)cc1F ZINC001212361937 779992909 /nfs/dbraw/zinc/99/29/09/779992909.db2.gz ISVQUDKVPSGDBE-UHFFFAOYSA-N 0 0 266.232 2.533 20 10 CFCDRN Fc1cccc(-c2noc(-c3csnn3)n2)c1F ZINC001212362693 779994679 /nfs/dbraw/zinc/99/46/79/779994679.db2.gz XDHDXJNTKJWTJB-UHFFFAOYSA-N 0 0 266.232 2.533 20 10 CFCDRN Cn1ccc2ccc(-c3noc(-c4csnn4)n3)cc21 ZINC001212362772 779995346 /nfs/dbraw/zinc/99/53/46/779995346.db2.gz ZYXYVILEKQJBFJ-UHFFFAOYSA-N 0 0 283.316 2.747 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3ccc4nccn4c3)cc21 ZINC001240221473 780008917 /nfs/dbraw/zinc/00/89/17/780008917.db2.gz TYBFCUZTEGJSPW-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN Cc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001240227114 780014610 /nfs/dbraw/zinc/01/46/10/780014610.db2.gz PYFZMDAJJFJHAI-UHFFFAOYSA-N 0 0 268.238 2.781 20 10 CFCDRN Cn1c(=O)cc(-c2cncc(F)c2)c2ccccc21 ZINC001240237002 780019811 /nfs/dbraw/zinc/01/98/11/780019811.db2.gz DFMPHXHRUASFDQ-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc(C)cc2)no1 ZINC001212405334 780094457 /nfs/dbraw/zinc/09/44/57/780094457.db2.gz ORYXINWWIPPKPY-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001212404889 780094579 /nfs/dbraw/zinc/09/45/79/780094579.db2.gz ASYRNUNBWCSCTG-UHFFFAOYSA-N 0 0 298.327 2.692 20 10 CFCDRN Cc1n[nH]cc1-c1cc(N(C)c2ccccc2)ncn1 ZINC001240518543 780227039 /nfs/dbraw/zinc/22/70/39/780227039.db2.gz HRJJHTIIIZOIHG-UHFFFAOYSA-N 0 0 265.320 2.943 20 10 CFCDRN Cc1n[nH]cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001240519505 780227608 /nfs/dbraw/zinc/22/76/08/780227608.db2.gz UQBJJBAZTDRILI-UHFFFAOYSA-N 0 0 277.331 2.869 20 10 CFCDRN Cn1ccc2ccc(-c3cc(F)cn4nc(N)nc34)cc21 ZINC001240575016 780266172 /nfs/dbraw/zinc/26/61/72/780266172.db2.gz OVDNBTVHYQMSLP-UHFFFAOYSA-N 0 0 281.294 2.609 20 10 CFCDRN Cn1ccc2ccc(-c3cnc4c(c3)OCC(=O)N4)cc21 ZINC001240573736 780266346 /nfs/dbraw/zinc/26/63/46/780266346.db2.gz JHFPHDJKHRMEGG-UHFFFAOYSA-N 0 0 279.299 2.571 20 10 CFCDRN CN(C)C(=O)c1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576513 780267497 /nfs/dbraw/zinc/26/74/97/780267497.db2.gz JXPBOZXXUZAZPW-UHFFFAOYSA-N 0 0 279.343 2.942 20 10 CFCDRN COCCn1ccc(-c2cncc(C(F)(F)F)c2)cc1=O ZINC001240793861 780448564 /nfs/dbraw/zinc/44/85/64/780448564.db2.gz NPNXFGMXNPSXCU-UHFFFAOYSA-N 0 0 298.264 2.576 20 10 CFCDRN Cn1ccc(-c2cncc(-c3ccccc3)n2)cc1=O ZINC001240974677 780563816 /nfs/dbraw/zinc/56/38/16/780563816.db2.gz ALYSTXJXLWYSQS-UHFFFAOYSA-N 0 0 263.300 2.509 20 10 CFCDRN COc1ccc2cccnc2c1-c1ccn(C)c(=O)c1 ZINC001240986882 780574604 /nfs/dbraw/zinc/57/46/04/780574604.db2.gz YGAQOURTKVXGOH-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN Cn1ccc(-c2cccc3cc(F)cnc32)cc1=O ZINC001240991306 780577890 /nfs/dbraw/zinc/57/78/90/780577890.db2.gz GLRBBDGODFBNLH-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cc1ccc2ncc(-c3ccn(C)c(=O)c3)cc2c1 ZINC001240996183 780580399 /nfs/dbraw/zinc/58/03/99/780580399.db2.gz RGABVGLLEQKGPY-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CN(C)C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000700764554 780723246 /nfs/dbraw/zinc/72/32/46/780723246.db2.gz DIRIQEPLUTWLSC-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2ncsc2c1 ZINC000701131646 780765762 /nfs/dbraw/zinc/76/57/62/780765762.db2.gz NFFAWDALZFJNFC-UHFFFAOYSA-N 0 0 284.340 2.932 20 10 CFCDRN CCCCSCC(=O)N(C)Cc1ccccc1O ZINC000701130448 780766087 /nfs/dbraw/zinc/76/60/87/780766087.db2.gz HBNGJTLGRJMNHL-UHFFFAOYSA-N 0 0 267.394 2.884 20 10 CFCDRN Cc1ncc(C2=CCN(c3ccccc3)CC2)cc1C(N)=O ZINC001241360673 780811181 /nfs/dbraw/zinc/81/11/81/780811181.db2.gz VTKQFQFKPDTRDY-UHFFFAOYSA-N 0 0 293.370 2.783 20 10 CFCDRN CCc1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001241379521 780833851 /nfs/dbraw/zinc/83/38/51/780833851.db2.gz JEKHAYVLAJWUFR-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN Cn1cc2c(cccc2-c2ccc(C3=S=CC=C3)nn2)n1 ZINC001241580044 780995611 /nfs/dbraw/zinc/99/56/11/780995611.db2.gz PHSSQSGLQUQQPJ-UHFFFAOYSA-N 0 0 292.367 2.656 20 10 CFCDRN C[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703309706 781007504 /nfs/dbraw/zinc/00/75/04/781007504.db2.gz VAIUTVWQCVPGHH-UWVGGRQHSA-N 0 0 271.307 2.575 20 10 CFCDRN COCCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703346524 781008193 /nfs/dbraw/zinc/00/81/93/781008193.db2.gz FKTNOIXVEYSFDE-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN CCC(C)(C)OCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703345775 781008971 /nfs/dbraw/zinc/00/89/71/781008971.db2.gz AJEJOEOVHTUVNO-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN [O-]c1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703533710 781026590 /nfs/dbraw/zinc/02/65/90/781026590.db2.gz YMKNFQPEIYYFGA-AOOOYVTPSA-N 0 0 253.292 2.902 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)CO1 ZINC000703541263 781027162 /nfs/dbraw/zinc/02/71/62/781027162.db2.gz MRVFJDSYKMXGOG-GXSJLCMTSA-N 0 0 271.307 2.670 20 10 CFCDRN CCOc1ccc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001241705783 781085829 /nfs/dbraw/zinc/08/58/29/781085829.db2.gz FRHITNMVZQGDKQ-UHFFFAOYSA-N 0 0 272.348 2.965 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3cnn(C4CCC4)c3)cc21 ZINC001241722574 781095554 /nfs/dbraw/zinc/09/55/54/781095554.db2.gz IJDGITYMQDUOLK-UHFFFAOYSA-N 0 0 280.331 2.522 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H]2CCSC2)ccc(F)c1F ZINC000704820884 781120856 /nfs/dbraw/zinc/12/08/56/781120856.db2.gz FPDRUMRKHLNQQH-SECBINFHSA-N 0 0 273.348 2.903 20 10 CFCDRN CN(C)c1nccnc1-c1cccc2c1ccn2C ZINC001241819875 781143097 /nfs/dbraw/zinc/14/30/97/781143097.db2.gz WDXVBWRDBGZIOQ-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)CC(=O)N2 ZINC001241821214 781144032 /nfs/dbraw/zinc/14/40/32/781144032.db2.gz BHTWZVATKISJSB-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN Cn1ccc2c1cccc2-c1c[nH]c2coc(=O)c-2c1 ZINC001241823456 781144670 /nfs/dbraw/zinc/14/46/70/781144670.db2.gz PTHDKJHKDOAEGK-UHFFFAOYSA-N 0 0 264.284 2.911 20 10 CFCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2F)[C@@H]1C ZINC001137839076 781164366 /nfs/dbraw/zinc/16/43/66/781164366.db2.gz QIVVQNZQDZCBGP-NEPJUHHUSA-N 0 0 295.354 2.695 20 10 CFCDRN C[C@]12CCCC[C@H]1CN2C(=O)Cc1ccc(N)cc1 ZINC000706439567 781176758 /nfs/dbraw/zinc/17/67/58/781176758.db2.gz ZCRNVQUEAOQRNY-BBRMVZONSA-N 0 0 258.365 2.602 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnn(C)c2C)cc1 ZINC000706425644 781176894 /nfs/dbraw/zinc/17/68/94/781176894.db2.gz QMIYWURXNKNRTF-UHFFFAOYSA-N 0 0 273.384 2.582 20 10 CFCDRN Oc1cccc(Br)c1CN1CC[C@H](F)C1 ZINC000707129638 781226885 /nfs/dbraw/zinc/22/68/85/781226885.db2.gz JWCCDCJDZMOEIW-QMMMGPOBSA-N 0 0 274.133 2.699 20 10 CFCDRN CCc1cccc(CN[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000707244292 781240783 /nfs/dbraw/zinc/24/07/83/781240783.db2.gz NRVGDMMIFKCOIK-NSHDSACASA-N 0 0 279.380 2.774 20 10 CFCDRN O=c1ccc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c[nH]1 ZINC001242066827 781259851 /nfs/dbraw/zinc/25/98/51/781259851.db2.gz WRTGNYZLPUTXTE-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000708414358 781272789 /nfs/dbraw/zinc/27/27/89/781272789.db2.gz RIOFNFPNZGTFPV-BXKDBHETSA-N 0 0 271.307 2.670 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](C)OC ZINC000708401393 781273088 /nfs/dbraw/zinc/27/30/88/781273088.db2.gz RDGMKNUMWWZBFS-SECBINFHSA-N 0 0 259.296 2.527 20 10 CFCDRN COC(C)(C)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708421715 781275445 /nfs/dbraw/zinc/27/54/45/781275445.db2.gz HGWJJOUYYACXKN-UHFFFAOYSA-N 0 0 259.296 2.527 20 10 CFCDRN CC[NH+](CC)[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708434848 781275465 /nfs/dbraw/zinc/27/54/65/781275465.db2.gz VMNCVMAFNYIXEZ-ZDUSSCGKSA-N 0 0 284.350 2.587 20 10 CFCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466130 781276112 /nfs/dbraw/zinc/27/61/12/781276112.db2.gz NLRUWHJQYRPWJW-CPCISQLKSA-N 0 0 259.321 2.512 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000709028180 781288211 /nfs/dbraw/zinc/28/82/11/781288211.db2.gz NVSDLTOUFQOVCY-AWEZNQCLSA-N 0 0 299.798 2.911 20 10 CFCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708519930 781292139 /nfs/dbraw/zinc/29/21/39/781292139.db2.gz PQXMCLBEICBJPH-NOZJJQNGSA-N 0 0 273.323 2.821 20 10 CFCDRN COC1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708517810 781292171 /nfs/dbraw/zinc/29/21/71/781292171.db2.gz UJYXFPBRGBJZNC-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CC(=O)c1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001242403640 781469744 /nfs/dbraw/zinc/46/97/44/781469744.db2.gz SCKFFCHNILQMFT-UHFFFAOYSA-N 0 0 278.311 2.803 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2ccn(C)n2)cn1 ZINC001242459568 781514903 /nfs/dbraw/zinc/51/49/03/781514903.db2.gz JPEMJHZVWOHENE-UHFFFAOYSA-N 0 0 252.321 2.890 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnn(C(F)(F)F)c1 ZINC001242461747 781517552 /nfs/dbraw/zinc/51/75/52/781517552.db2.gz BKXRSJYQLLJUGU-UHFFFAOYSA-N 0 0 266.226 2.913 20 10 CFCDRN Nc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001242501468 781549012 /nfs/dbraw/zinc/54/90/12/781549012.db2.gz XJOMJARULMOILO-UHFFFAOYSA-N 0 0 277.327 2.541 20 10 CFCDRN CC[C@@H](CC(=O)NCc1ccc(O)cc1O)C(C)C ZINC000822581062 781905019 /nfs/dbraw/zinc/90/50/19/781905019.db2.gz KRKIAXMXZPIFKA-NSHDSACASA-N 0 0 265.353 2.786 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C/c1cnccn1 ZINC000068144823 346837808 /nfs/dbraw/zinc/83/78/08/346837808.db2.gz ZWUCTZKHACRKSF-FNORWQNLSA-N 0 0 297.333 2.917 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccc(F)nc3)ccc21 ZINC000074536846 347019783 /nfs/dbraw/zinc/01/97/83/347019783.db2.gz XPVFBTCFOGWKFB-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(F)F ZINC000295101628 199345869 /nfs/dbraw/zinc/34/58/69/199345869.db2.gz SXTYFJWBBARPOM-MWLCHTKSSA-N 0 0 297.704 2.679 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000295113355 199351650 /nfs/dbraw/zinc/35/16/50/199351650.db2.gz XPFMHXBQDXDWKP-NOZJJQNGSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nccs2)C1 ZINC000060740559 346671071 /nfs/dbraw/zinc/67/10/71/346671071.db2.gz FQIVMNCAMQUNTP-NXEZZACHSA-N 0 0 270.423 2.740 20 10 CFCDRN Cc1cc(C(=O)N2CCC[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC000078542245 347260619 /nfs/dbraw/zinc/26/06/19/347260619.db2.gz DJQZSRRDSCVMHJ-MRXNPFEDSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCc3cc(C)ccc32)cnn1C ZINC000091055250 347568881 /nfs/dbraw/zinc/56/88/81/347568881.db2.gz NDXKGFJRAQSBNM-FNORWQNLSA-N 0 0 281.359 2.639 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1OC ZINC000149769090 347953536 /nfs/dbraw/zinc/95/35/36/347953536.db2.gz YPAJRRVLTZIZBD-RMKNXTFCSA-N 0 0 298.342 2.775 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC2(CC2)C1 ZINC000611657580 351721183 /nfs/dbraw/zinc/72/11/83/351721183.db2.gz NEVQWEFFXSCTJU-UHFFFAOYSA-N 0 0 286.375 2.668 20 10 CFCDRN Cc1cocc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000625916294 354141836 /nfs/dbraw/zinc/14/18/36/354141836.db2.gz PXPVCJCESMYDRT-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCS2)cc1 ZINC000266565844 540093086 /nfs/dbraw/zinc/09/30/86/540093086.db2.gz KIEZJMBGVPDEFZ-CQSZACIVSA-N 0 0 278.421 2.607 20 10 CFCDRN C[C@H]1OCCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000126530030 291205797 /nfs/dbraw/zinc/20/57/97/291205797.db2.gz WLDMCNZQRSZEST-VXGBXAGGSA-N 0 0 266.360 2.501 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnccc1Cl ZINC001243042186 781947200 /nfs/dbraw/zinc/94/72/00/781947200.db2.gz PDUSQACRWANYCX-UHFFFAOYSA-N 0 0 288.738 2.793 20 10 CFCDRN C[C@@H]([NH2+]CCOCC(F)F)c1ccc(F)c(F)c1[O-] ZINC000276627758 296126067 /nfs/dbraw/zinc/12/60/67/296126067.db2.gz IYZIBXLQWSMGDS-SSDOTTSWSA-N 0 0 281.249 2.603 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000276904259 296131519 /nfs/dbraw/zinc/13/15/19/296131519.db2.gz JPQHIDLJFFRPNQ-KCJUWKMLSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187753020 299400131 /nfs/dbraw/zinc/40/01/31/299400131.db2.gz DRIQUCWTNRYQPQ-GARJFASQSA-N 0 0 296.361 2.946 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1ccc(F)c(F)c1[O-] ZINC000364797830 296165251 /nfs/dbraw/zinc/16/52/51/296165251.db2.gz IQFNXPDXEPOTCK-ZJUUUORDSA-N 0 0 293.317 2.533 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000037323534 372664881 /nfs/dbraw/zinc/66/48/81/372664881.db2.gz OBSUOCRUJJWDIO-CYBMUJFWSA-N 0 0 297.782 2.859 20 10 CFCDRN CC(C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411512 372919758 /nfs/dbraw/zinc/91/97/58/372919758.db2.gz NBJDSZHHMGOYGL-UHFFFAOYSA-N 0 0 258.159 2.900 20 10 CFCDRN CC1CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000063144161 373786620 /nfs/dbraw/zinc/78/66/20/373786620.db2.gz IIBAOOPMUMESET-UHFFFAOYSA-N 0 0 260.381 2.754 20 10 CFCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccnc1 ZINC000074077989 374405553 /nfs/dbraw/zinc/40/55/53/374405553.db2.gz YPGGSQLMSSXTSE-CMDGGOBGSA-N 0 0 290.326 2.701 20 10 CFCDRN CCc1nnc(CN(CC)c2ccc(OC)cc2)o1 ZINC000264158708 383702604 /nfs/dbraw/zinc/70/26/04/383702604.db2.gz FDGPJEFIIKDAEU-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN C[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000091800733 375064672 /nfs/dbraw/zinc/06/46/72/375064672.db2.gz NPFFFPSEZWPILU-OAHLLOKOSA-N 0 0 274.408 2.898 20 10 CFCDRN COc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000092729529 375144087 /nfs/dbraw/zinc/14/40/87/375144087.db2.gz WFKBKDFCUXZMPR-ZDUSSCGKSA-N 0 0 287.363 2.851 20 10 CFCDRN CCN(CCO)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000097177655 375537325 /nfs/dbraw/zinc/53/73/25/375537325.db2.gz LHEVSKWOHKEBQS-UHFFFAOYSA-N 0 0 286.375 2.549 20 10 CFCDRN Cc1cc(C(=O)NCC2(C)COC2)c(C)n1-c1ccccc1 ZINC000112693695 375945266 /nfs/dbraw/zinc/94/52/66/375945266.db2.gz YPBIHVSEYCJPLC-UHFFFAOYSA-N 0 0 298.386 2.860 20 10 CFCDRN O=C(CC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117974768 376270846 /nfs/dbraw/zinc/27/08/46/376270846.db2.gz MOGNMRJHPXQISO-HNNXBMFYSA-N 0 0 289.375 2.700 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000529513803 383714801 /nfs/dbraw/zinc/71/48/01/383714801.db2.gz UFKRGMXOTBSKLO-PUXPGTEJSA-N 0 0 297.782 2.721 20 10 CFCDRN COC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000124522456 377058593 /nfs/dbraw/zinc/05/85/93/377058593.db2.gz DHNYOOBNVPIWTC-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291033514 296253748 /nfs/dbraw/zinc/25/37/48/296253748.db2.gz FMIVXQWKNLUYAB-AWEZNQCLSA-N 0 0 273.332 2.503 20 10 CFCDRN CS[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000125491872 377160123 /nfs/dbraw/zinc/16/01/23/377160123.db2.gz NHNLRVBTNPCQMC-NSHDSACASA-N 0 0 294.420 2.620 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1cccnc1 ZINC000126060036 377209574 /nfs/dbraw/zinc/20/95/74/377209574.db2.gz VQNIEXQCRATCQI-VOTSOKGWSA-N 0 0 267.332 2.851 20 10 CFCDRN CCOCCC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000126714189 377245643 /nfs/dbraw/zinc/24/56/43/377245643.db2.gz BBHJTFHPQAUBJC-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CC[C@@H](SC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000128351143 377332731 /nfs/dbraw/zinc/33/27/31/377332731.db2.gz BTUREKJVGQIYJI-OAHLLOKOSA-N 0 0 292.448 2.827 20 10 CFCDRN CCC1(CO)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000129817214 377476849 /nfs/dbraw/zinc/47/68/49/377476849.db2.gz KKKXDYOHGLFGKV-UHFFFAOYSA-N 0 0 294.414 2.876 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)COC(C)C)cc1Cl ZINC000131449587 377713792 /nfs/dbraw/zinc/71/37/92/377713792.db2.gz RFXQYMJCZWYZSP-GFCCVEGCSA-N 0 0 287.787 2.571 20 10 CFCDRN COc1cccc(CNc2cncc(SC)n2)c1O ZINC000132078235 377800881 /nfs/dbraw/zinc/80/08/81/377800881.db2.gz VMIVNCDDXQPZMO-UHFFFAOYSA-N 0 0 277.349 2.525 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000132758756 377873713 /nfs/dbraw/zinc/87/37/13/377873713.db2.gz YJXFTVWUIBVSTP-JSGCOSHPSA-N 0 0 267.756 2.799 20 10 CFCDRN COc1cccc(CN2CCOc3ccccc32)c1O ZINC000154752984 378592457 /nfs/dbraw/zinc/59/24/57/378592457.db2.gz YHTVRRKDEUAKJQ-UHFFFAOYSA-N 0 0 271.316 2.800 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](C)C2)c1O ZINC000179646879 380566942 /nfs/dbraw/zinc/56/69/42/380566942.db2.gz NPSHUMWIJWNSGL-JTQLQIEISA-N 0 0 255.745 2.575 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179749810 380576832 /nfs/dbraw/zinc/57/68/32/380576832.db2.gz BAWMWIDPAWWETD-NSHDSACASA-N 0 0 255.745 2.656 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180014806 380608518 /nfs/dbraw/zinc/60/85/18/380608518.db2.gz KEEOGOCTKDAUFE-LBPRGKRZSA-N 0 0 297.782 2.631 20 10 CFCDRN CCC1(CO)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180187055 380629643 /nfs/dbraw/zinc/62/96/43/380629643.db2.gz QJMQNCDTHXEGSQ-UHFFFAOYSA-N 0 0 267.344 2.516 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2occc21 ZINC000180630376 380685270 /nfs/dbraw/zinc/68/52/70/380685270.db2.gz ZHBAKKJQCZTIMX-IYNGYCSASA-N 0 0 299.326 2.898 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000180723196 380693175 /nfs/dbraw/zinc/69/31/75/380693175.db2.gz QEMBTYZBRVCRBP-HNNXBMFYSA-N 0 0 279.380 2.648 20 10 CFCDRN COc1cc(N(C)Cc2cccn2C)cc(OC)c1OC ZINC000180755636 380696710 /nfs/dbraw/zinc/69/67/10/380696710.db2.gz SACUTHWVAXHEHO-UHFFFAOYSA-N 0 0 290.363 2.687 20 10 CFCDRN C[C@H]1CC[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181144666 380747644 /nfs/dbraw/zinc/74/76/44/380747644.db2.gz CDEAFOHSGIBCBN-BIVWETNQSA-N 0 0 275.348 2.758 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnc(C)o2)cc1F ZINC000181496486 380809127 /nfs/dbraw/zinc/80/91/27/380809127.db2.gz XABSPUHNFAOVGD-UHFFFAOYSA-N 0 0 278.331 2.975 20 10 CFCDRN COc1ccc(N(C)CCOC2CCC2)cc1F ZINC000287547952 380863154 /nfs/dbraw/zinc/86/31/54/380863154.db2.gz ANDVEMDCNFJGPT-UHFFFAOYSA-N 0 0 253.317 2.840 20 10 CFCDRN CC(C)Cc1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000181768810 380890224 /nfs/dbraw/zinc/89/02/24/380890224.db2.gz ULILAYOPVWWKMS-UHFFFAOYSA-N 0 0 274.368 2.946 20 10 CFCDRN CC[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(F)cc1[O-] ZINC000287668336 380904525 /nfs/dbraw/zinc/90/45/25/380904525.db2.gz VRDHKWVQHFDJFH-AWEZNQCLSA-N 0 0 297.370 2.504 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287735425 380923929 /nfs/dbraw/zinc/92/39/29/380923929.db2.gz PIMHENDCKRZSHU-GWCFXTLKSA-N 0 0 298.814 2.953 20 10 CFCDRN CCOc1ccc(O)c(CN[C@@H](C)C(F)(F)F)c1 ZINC000288349981 381011865 /nfs/dbraw/zinc/01/18/65/381011865.db2.gz BZCMDFXYDBBHKS-QMMMGPOBSA-N 0 0 263.259 2.831 20 10 CFCDRN CCCOc1ccc(CNc2ccnc(OC)n2)c(O)c1 ZINC000295807507 381088477 /nfs/dbraw/zinc/08/84/77/381088477.db2.gz CNMCAIQPXFBQHD-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000295861434 381122247 /nfs/dbraw/zinc/12/22/47/381122247.db2.gz BMUFYYOPFINZIO-SNVBAGLBSA-N 0 0 255.333 2.591 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c(O)c1O ZINC000182534451 381106924 /nfs/dbraw/zinc/10/69/24/381106924.db2.gz JPBCNPMGPSSAIL-KOLCDFICSA-N 0 0 263.337 2.667 20 10 CFCDRN CCC[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183421511 381269613 /nfs/dbraw/zinc/26/96/13/381269613.db2.gz YVHOBMVOGFKFAA-WDEREUQCSA-N 0 0 265.353 2.581 20 10 CFCDRN CC(C)Cn1cc(C(=O)N(C)Cc2ccccc2O)cn1 ZINC000183259371 381243400 /nfs/dbraw/zinc/24/34/00/381243400.db2.gz XUKUEWPVBYMILM-UHFFFAOYSA-N 0 0 287.363 2.517 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C=CCC1 ZINC000183483056 381276854 /nfs/dbraw/zinc/27/68/54/381276854.db2.gz UWVAXRMNDQGMRJ-VXGBXAGGSA-N 0 0 275.348 2.501 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCCCC1 ZINC000183481360 381277783 /nfs/dbraw/zinc/27/77/83/381277783.db2.gz JPJPIEPXICPFNU-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296468225 381409556 /nfs/dbraw/zinc/40/95/56/381409556.db2.gz NPWRATKSOTVVDJ-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296423242 381388694 /nfs/dbraw/zinc/38/86/94/381388694.db2.gz LNBZBRIOHWNTTB-GHMZBOCLSA-N 0 0 282.340 2.502 20 10 CFCDRN C[C@H](CCc1ccco1)NC(=O)c1c(F)ccc(O)c1O ZINC000296423332 381389051 /nfs/dbraw/zinc/38/90/51/381389051.db2.gz MULRSLWIUXKVBP-SECBINFHSA-N 0 0 293.294 2.581 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000184694240 381462499 /nfs/dbraw/zinc/46/24/99/381462499.db2.gz FTNALIUTKIMRFU-UWVGGRQHSA-N 0 0 285.771 2.663 20 10 CFCDRN CCOc1ccc(O)c(CN2CCC[C@H]2c2ncon2)c1 ZINC000371376697 381603964 /nfs/dbraw/zinc/60/39/64/381603964.db2.gz ZHZAEMLESJGIPV-ZDUSSCGKSA-N 0 0 289.335 2.511 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000185368722 381613867 /nfs/dbraw/zinc/61/38/67/381613867.db2.gz UDNMNUKLAYQSRO-GHMZBOCLSA-N 0 0 266.360 2.665 20 10 CFCDRN CC(C)OCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298419344 381617297 /nfs/dbraw/zinc/61/72/97/381617297.db2.gz SYYTWILXSIGADQ-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN O=C(CC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000298416425 381617482 /nfs/dbraw/zinc/61/74/82/381617482.db2.gz ROFSVSGUJLHZAS-UHFFFAOYSA-N 0 0 258.365 2.703 20 10 CFCDRN COCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298594085 381683934 /nfs/dbraw/zinc/68/39/34/381683934.db2.gz DAKRDMQZJJXXKJ-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000298640918 381696355 /nfs/dbraw/zinc/69/63/55/381696355.db2.gz IJCTVTVMBHWTMQ-LBPRGKRZSA-N 0 0 285.347 2.690 20 10 CFCDRN C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000186074194 381817496 /nfs/dbraw/zinc/81/74/96/381817496.db2.gz YBBXOKJRMUDICU-LBPRGKRZSA-N 0 0 297.370 2.768 20 10 CFCDRN Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000186414367 381903477 /nfs/dbraw/zinc/90/34/77/381903477.db2.gz UPNAOIXHKAZIIQ-SNVBAGLBSA-N 0 0 289.331 2.669 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CC1)C1CC1 ZINC000186416143 381906039 /nfs/dbraw/zinc/90/60/39/381906039.db2.gz YQDDYXYLBOBNTN-SNVBAGLBSA-N 0 0 289.375 2.581 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186747142 382002459 /nfs/dbraw/zinc/00/24/59/382002459.db2.gz SJHQBVWIEZVDEM-BNLOLNQZSA-N 0 0 291.391 2.827 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373469957 382010656 /nfs/dbraw/zinc/01/06/56/382010656.db2.gz PWXWLOJRTHKJQS-LLVKDONJSA-N 0 0 267.756 2.514 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373469958 382011479 /nfs/dbraw/zinc/01/14/79/382011479.db2.gz PWXWLOJRTHKJQS-NSHDSACASA-N 0 0 267.756 2.514 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373315221 381977834 /nfs/dbraw/zinc/97/78/34/381977834.db2.gz CKMKBCXWHFURMY-AWEZNQCLSA-N 0 0 285.746 2.532 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H](C)C2)c1O ZINC000374367821 382045595 /nfs/dbraw/zinc/04/55/95/382045595.db2.gz SDZJRDWZFTUGCM-JTQLQIEISA-N 0 0 297.782 2.717 20 10 CFCDRN Oc1ccccc1CN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374891094 382060046 /nfs/dbraw/zinc/06/00/46/382060046.db2.gz FSKGTZJWXSQCDA-UHFFFAOYSA-N 0 0 297.280 2.692 20 10 CFCDRN CS[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000187106128 382101044 /nfs/dbraw/zinc/10/10/44/382101044.db2.gz XOLRGMVGRUVXNQ-UWVGGRQHSA-N 0 0 281.377 2.502 20 10 CFCDRN CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(O)c1O ZINC000187113350 382101645 /nfs/dbraw/zinc/10/16/45/382101645.db2.gz XGKINSZXMMCAMI-ZDUSSCGKSA-N 0 0 286.331 2.716 20 10 CFCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000187443378 382184513 /nfs/dbraw/zinc/18/45/13/382184513.db2.gz DOILBBLGVZEAFP-VAFIWLDWSA-N 0 0 275.348 2.758 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000293622778 382201439 /nfs/dbraw/zinc/20/14/39/382201439.db2.gz MPJRMBNXALUEJH-RNCFNFMXSA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)[C@H]1N(C(=O)c2cccc(O)c2O)CC12CCC2 ZINC000293657735 382218305 /nfs/dbraw/zinc/21/83/05/382218305.db2.gz MFTBNHQHQVFULW-CQSZACIVSA-N 0 0 275.348 2.749 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cn[nH]c1 ZINC000293673382 382226431 /nfs/dbraw/zinc/22/64/31/382226431.db2.gz QUCUKAKCADUBIL-ZETCQYMHSA-N 0 0 269.707 2.759 20 10 CFCDRN Cc1cc(CN2CCOC[C@H]2CC(F)F)ccc1N(C)C ZINC000293592904 382187770 /nfs/dbraw/zinc/18/77/70/382187770.db2.gz OJWPZMYTCBUEDP-CQSZACIVSA-N 0 0 298.377 2.917 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377237570 382240027 /nfs/dbraw/zinc/24/00/27/382240027.db2.gz IPKVLWITJBEQRC-RYUDHWBXSA-N 0 0 281.783 2.904 20 10 CFCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187730682 382258510 /nfs/dbraw/zinc/25/85/10/382258510.db2.gz PKGPBVDTWSDKIW-GUBZILKMSA-N 0 0 273.323 2.728 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(O)CCCC1 ZINC000293760544 382268066 /nfs/dbraw/zinc/26/80/66/382268066.db2.gz YXYBJUBDPXGNDT-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN CN1CCc2cc(CNC(=O)CCc3ccco3)ccc21 ZINC000364355295 382314313 /nfs/dbraw/zinc/31/43/13/382314313.db2.gz BNWSEOVGPUDTGF-UHFFFAOYSA-N 0 0 284.359 2.521 20 10 CFCDRN COc1cccc(CNC(=O)C2=CCCCC2)c1O ZINC000188551664 382433447 /nfs/dbraw/zinc/43/34/47/382433447.db2.gz ADTDYRANAQXEKP-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN COc1cccc(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC000378340993 382440842 /nfs/dbraw/zinc/44/08/42/382440842.db2.gz JJTJSFKCCLGIKH-MRXNPFEDSA-N 0 0 299.370 2.974 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000294177557 382447051 /nfs/dbraw/zinc/44/70/51/382447051.db2.gz JNFUGZMUHHKQBG-SECBINFHSA-N 0 0 273.735 2.701 20 10 CFCDRN C[C@]1(c2ccccc2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000365928591 382458446 /nfs/dbraw/zinc/45/84/46/382458446.db2.gz FBEXSRYEHBCWKL-SFHVURJKSA-N 0 0 297.354 2.902 20 10 CFCDRN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294303011 382501479 /nfs/dbraw/zinc/50/14/79/382501479.db2.gz QCGCCGSJBUKREG-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN CCCc1nc(CSc2ncc(C(=O)OC)s2)no1 ZINC000294913408 382542777 /nfs/dbraw/zinc/54/27/77/382542777.db2.gz BSHQIHCMXNXPDY-UHFFFAOYSA-N 0 0 299.377 2.558 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)co1 ZINC000189129023 382551405 /nfs/dbraw/zinc/55/14/05/382551405.db2.gz SYMZPQOKXUCLNP-UHFFFAOYSA-N 0 0 276.311 2.723 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnn(CC(F)F)c1 ZINC000295004412 382559744 /nfs/dbraw/zinc/55/97/44/382559744.db2.gz VCCVRVYVXOBGQA-UHFFFAOYSA-N 0 0 293.317 2.720 20 10 CFCDRN CC(C)OC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000295166268 382579448 /nfs/dbraw/zinc/57/94/48/382579448.db2.gz FOHRZZXDLUCFTK-UHFFFAOYSA-N 0 0 262.353 2.921 20 10 CFCDRN Cc1cc(O)c(CNc2nnc(C(F)F)o2)cc1C ZINC000189284008 382583359 /nfs/dbraw/zinc/58/33/59/382583359.db2.gz YSIYJVWTROCPJA-UHFFFAOYSA-N 0 0 269.251 2.942 20 10 CFCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1ccccc1F ZINC000493713696 382881361 /nfs/dbraw/zinc/88/13/61/382881361.db2.gz ACHADQCEMGCQPD-FPLPWBNLSA-N 0 0 258.296 2.840 20 10 CFCDRN Nc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000237968043 382975279 /nfs/dbraw/zinc/97/52/79/382975279.db2.gz LCGKXYVWELPRAE-UHFFFAOYSA-N 0 0 296.370 2.956 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCC(F)(F)F)c1 ZINC000266582459 384202370 /nfs/dbraw/zinc/20/23/70/384202370.db2.gz LZKMMXAADQPGSH-UHFFFAOYSA-N 0 0 278.230 2.733 20 10 CFCDRN CCN(CCC(C)(C)O)c1ccc(OC)c(OC)c1 ZINC000267383551 384375793 /nfs/dbraw/zinc/37/57/93/384375793.db2.gz BAZWHHWGAZOCQS-UHFFFAOYSA-N 0 0 267.369 2.691 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000268075508 384524760 /nfs/dbraw/zinc/52/47/60/384524760.db2.gz AACSHDGMYFLNIP-CVEARBPZSA-N 0 0 290.407 2.669 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2nnc3n2CCC3)cc1 ZINC000268770527 384658887 /nfs/dbraw/zinc/65/88/87/384658887.db2.gz PTUOFGHMGAHFFR-CYBMUJFWSA-N 0 0 299.422 2.531 20 10 CFCDRN COc1ccc(N(C[C@H](O)COC(C)C)C(C)C)cc1F ZINC000269055766 384719381 /nfs/dbraw/zinc/71/93/81/384719381.db2.gz WRBJTEXPTBAJPO-AWEZNQCLSA-N 0 0 299.386 2.835 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1ccccc1 ZINC000270410866 385093621 /nfs/dbraw/zinc/09/36/21/385093621.db2.gz XZYCPAOQDFGBBS-HNNXBMFYSA-N 0 0 298.386 2.549 20 10 CFCDRN CCN(CCn1ccnc1C)c1ccc(OC)c(OC)c1 ZINC000270884875 385257976 /nfs/dbraw/zinc/25/79/76/385257976.db2.gz OCYAIQQRXMEAPN-UHFFFAOYSA-N 0 0 289.379 2.735 20 10 CFCDRN CCCCN(Cc1ccccc1O)Cc1nccc(N)n1 ZINC000282444001 385312800 /nfs/dbraw/zinc/31/28/00/385312800.db2.gz LGLLGVBTGSCGDP-UHFFFAOYSA-N 0 0 286.379 2.567 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000282293367 385273553 /nfs/dbraw/zinc/27/35/53/385273553.db2.gz FQYABTXYJSYMSD-HEHGZKQESA-N 0 0 291.391 2.944 20 10 CFCDRN Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000271162743 385357356 /nfs/dbraw/zinc/35/73/56/385357356.db2.gz BAZRXUCAIRKUHD-UHFFFAOYSA-N 0 0 299.422 2.735 20 10 CFCDRN CCCOc1ccc(CN(C)Cc2ccon2)c(O)c1 ZINC000271178571 385363615 /nfs/dbraw/zinc/36/36/15/385363615.db2.gz GZLQOXLZKDKIIJ-UHFFFAOYSA-N 0 0 276.336 2.801 20 10 CFCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1c(O)cccc1Cl ZINC000271184560 385367868 /nfs/dbraw/zinc/36/78/68/385367868.db2.gz LOKWVAKWKMDUNL-JTQLQIEISA-N 0 0 285.771 2.818 20 10 CFCDRN CC(C)(C)C[N@H+](CCCO)Cc1ccccc1O ZINC000271454911 385383062 /nfs/dbraw/zinc/38/30/62/385383062.db2.gz VNBOVCXXTISAOT-UHFFFAOYSA-N 0 0 251.370 2.623 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CC12CCCCC2 ZINC000271597420 385386945 /nfs/dbraw/zinc/38/69/45/385386945.db2.gz KSFOZNQUUVMPJR-CQSZACIVSA-N 0 0 274.364 2.914 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)C(C)(C)C ZINC000271813589 385393926 /nfs/dbraw/zinc/39/39/26/385393926.db2.gz MKQLUOYAKDUYEP-LBPRGKRZSA-N 0 0 271.788 2.884 20 10 CFCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000284396224 385549226 /nfs/dbraw/zinc/54/92/26/385549226.db2.gz PLFZWLUHKSQXBM-GFCCVEGCSA-N 0 0 250.298 2.579 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000285530882 385556217 /nfs/dbraw/zinc/55/62/17/385556217.db2.gz BPTJZGOWVDEROM-MJBXVCDLSA-N 0 0 267.344 2.876 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285744763 385556946 /nfs/dbraw/zinc/55/69/46/385556946.db2.gz RHZGJCHETIMTKM-YPMHNXCESA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000285917809 385559035 /nfs/dbraw/zinc/55/90/35/385559035.db2.gz CFZAHDLPPUPIBI-ZYHUDNBSSA-N 0 0 295.276 2.885 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)c1ccc(F)cc1[O-] ZINC000286031058 385559418 /nfs/dbraw/zinc/55/94/18/385559418.db2.gz JGDXLVQXLDQQMC-KPGGICDASA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(F)cc1[O-] ZINC000286096241 385560080 /nfs/dbraw/zinc/56/00/80/385560080.db2.gz MZWVWYJPFSVIBN-BXUZGUMPSA-N 0 0 277.343 2.857 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1[O-] ZINC000286108119 385560508 /nfs/dbraw/zinc/56/05/08/385560508.db2.gz NNKPBDLMWXZBOX-OCCSQVGLSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(F)cc1[O-] ZINC000286190799 385569519 /nfs/dbraw/zinc/56/95/19/385569519.db2.gz RHJCJLPOTHBLNH-OCCSQVGLSA-N 0 0 269.360 2.979 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2ccccc2O)s1 ZINC000273237070 385675495 /nfs/dbraw/zinc/67/54/95/385675495.db2.gz WWLNHQIRXNTAOW-SECBINFHSA-N 0 0 263.366 2.657 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C)c1 ZINC000273412754 385680462 /nfs/dbraw/zinc/68/04/62/385680462.db2.gz QAPVGTBKLAQEMX-JTQLQIEISA-N 0 0 265.353 2.876 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379990 385681015 /nfs/dbraw/zinc/68/10/15/385681015.db2.gz BYRHKMORYGLKGQ-DGCLKSJQSA-N 0 0 294.351 2.910 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CSC)c1 ZINC000273467019 385685020 /nfs/dbraw/zinc/68/50/20/385685020.db2.gz DWSIFGUAJKPBJU-NXEZZACHSA-N 0 0 283.393 2.581 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000273491852 385685278 /nfs/dbraw/zinc/68/52/78/385685278.db2.gz OLCMRSCUJCEKKS-AAEUAGOBSA-N 0 0 275.348 2.938 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273472154 385685295 /nfs/dbraw/zinc/68/52/95/385685295.db2.gz JVUVSAFMCMMUPW-MNOVXSKESA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1noc(CCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000273527073 385685768 /nfs/dbraw/zinc/68/57/68/385685768.db2.gz VNGUVZHZVWXBBS-VIFPVBQESA-N 0 0 279.315 2.506 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557724 385687766 /nfs/dbraw/zinc/68/77/66/385687766.db2.gz HFUIGYQALQAUKF-RYUDHWBXSA-N 0 0 296.367 2.750 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCS2)cc1F ZINC000272973381 385668433 /nfs/dbraw/zinc/66/84/33/385668433.db2.gz NTQOKXKBZWOBKI-AWEZNQCLSA-N 0 0 296.411 2.794 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCS2)cc1 ZINC000273018609 385670255 /nfs/dbraw/zinc/67/02/55/385670255.db2.gz YWEBKGDONSSABZ-OAHLLOKOSA-N 0 0 292.448 2.997 20 10 CFCDRN CCCCn1cc(C(=O)NCc2ccccc2O)c(C)n1 ZINC000274668262 385845152 /nfs/dbraw/zinc/84/51/52/385845152.db2.gz OVNKARVPGOBVFH-UHFFFAOYSA-N 0 0 287.363 2.627 20 10 CFCDRN C/C(=C\C(=O)NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000372310423 393446824 /nfs/dbraw/zinc/44/68/24/393446824.db2.gz UKLANULCNKEVBO-FMIVXFBMSA-N 0 0 270.376 2.651 20 10 CFCDRN CN(Cc1cn2c(n1)CCCC2)Cc1ccccc1O ZINC000373880078 393475966 /nfs/dbraw/zinc/47/59/66/393475966.db2.gz FZOKSHNFGMMJSA-UHFFFAOYSA-N 0 0 271.364 2.557 20 10 CFCDRN COc1cccc(CN2C[C@@H](OC)Cc3ccccc32)c1O ZINC000374375975 393495727 /nfs/dbraw/zinc/49/57/27/393495727.db2.gz AZCRVXKMBXJPAS-HNNXBMFYSA-N 0 0 299.370 2.979 20 10 CFCDRN COc1cccc(CNC(=O)Cc2ccc(C)s2)c1O ZINC000105649373 393864412 /nfs/dbraw/zinc/86/44/12/393864412.db2.gz ZFGAVWMZPYAURS-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN Cc1cc(C(=O)N(C)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000106845154 393867816 /nfs/dbraw/zinc/86/78/16/393867816.db2.gz BEPOWDCZRDMKJD-MRXNPFEDSA-N 0 0 298.386 2.955 20 10 CFCDRN CCC(C)(C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000119283097 393917017 /nfs/dbraw/zinc/91/70/17/393917017.db2.gz LTIIJVUYTCJWAL-UHFFFAOYSA-N 0 0 281.375 2.880 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCOC(C)C ZINC000348633657 393955819 /nfs/dbraw/zinc/95/58/19/393955819.db2.gz FHQCZJWYENCHKN-UHFFFAOYSA-N 0 0 288.391 2.918 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncc(F)c1 ZINC000348633707 393955882 /nfs/dbraw/zinc/95/58/82/393955882.db2.gz GCVZRAHUVKJSAQ-UHFFFAOYSA-N 0 0 297.333 2.951 20 10 CFCDRN Cc1ocnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348661999 393955907 /nfs/dbraw/zinc/95/59/07/393955907.db2.gz AYUVETDMVBGUHV-UHFFFAOYSA-N 0 0 283.331 2.713 20 10 CFCDRN COC[C@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348634291 393955968 /nfs/dbraw/zinc/95/59/68/393955968.db2.gz NRZMHDJBINCJEO-GFCCVEGCSA-N 0 0 288.391 2.776 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2C)cc1Cl ZINC000121954191 393962536 /nfs/dbraw/zinc/96/25/36/393962536.db2.gz DZTVBGBTZDHWEJ-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC1 ZINC000349351910 393968236 /nfs/dbraw/zinc/96/82/36/393968236.db2.gz GRJGSNAZDAKQSJ-UHFFFAOYSA-N 0 0 271.364 2.696 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276891076 394052818 /nfs/dbraw/zinc/05/28/18/394052818.db2.gz HQFZWVBFZCSVKI-HIHHVFROSA-N 0 0 271.307 2.648 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)nc1 ZINC000492565507 394071232 /nfs/dbraw/zinc/07/12/32/394071232.db2.gz LSCAUBVEMDBCPP-ALCCZGGFSA-N 0 0 289.360 2.531 20 10 CFCDRN COc1ncc(/C=C\C(=O)N(C)c2cccc(C)c2C)cn1 ZINC000492651301 394073732 /nfs/dbraw/zinc/07/37/32/394073732.db2.gz ORRGYKFJLLWLAM-HJWRWDBZSA-N 0 0 297.358 2.778 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOCc3ccccc32)c1 ZINC000492684330 394075058 /nfs/dbraw/zinc/07/50/58/394075058.db2.gz YQUXAECKUONFGG-VOTSOKGWSA-N 0 0 294.354 2.967 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2c1c(F)ccc2F ZINC000492893845 394091483 /nfs/dbraw/zinc/09/14/83/394091483.db2.gz IGYPGPJUEWFWCF-ZZXKWVIFSA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c(O)c1O ZINC000281918419 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/nfs/dbraw/zinc/68/85/21/521688521.db2.gz NCBCPVHFLBMQKC-AWEZNQCLSA-N 0 0 294.395 2.739 20 10 CFCDRN CCS[C@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000236872254 521728413 /nfs/dbraw/zinc/72/84/13/521728413.db2.gz QRKSXNGTFPJRON-LBPRGKRZSA-N 0 0 252.383 2.985 20 10 CFCDRN CCS[C@H]1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000162543261 521732833 /nfs/dbraw/zinc/73/28/33/521732833.db2.gz GPTDQTGFKJGUSJ-GJZGRUSLSA-N 0 0 292.448 2.944 20 10 CFCDRN CCc1ccccc1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000188694101 521821112 /nfs/dbraw/zinc/82/11/12/521821112.db2.gz MWOFCXYBPSHTFY-UHFFFAOYSA-N 0 0 299.370 2.562 20 10 CFCDRN COc1c(O)c(CN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000278231868 521872277 /nfs/dbraw/zinc/87/22/77/521872277.db2.gz MVTOHMLDTNSORI-UHFFFAOYSA-N 0 0 292.291 2.534 20 10 CFCDRN CC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264646853 521903509 /nfs/dbraw/zinc/90/35/09/521903509.db2.gz GAEOBMPCRLVLOY-HIFRSBDPSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3nccnc3n2)cc1F ZINC000301128182 522213742 /nfs/dbraw/zinc/21/37/42/522213742.db2.gz PQAIXLKCHHFKOZ-UHFFFAOYSA-N 0 0 297.337 2.842 20 10 CFCDRN COC(=O)c1cncc(NCc2ccc(N(C)C)cc2)c1 ZINC000181718529 522351143 /nfs/dbraw/zinc/35/11/43/522351143.db2.gz OOZIDSYAEUEDQE-UHFFFAOYSA-N 0 0 285.347 2.546 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CCCO)c1ccc(F)cc1[O-] ZINC000285920691 522730194 /nfs/dbraw/zinc/73/01/94/522730194.db2.gz DTROSAAGTXEACO-MFKMUULPSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000285990798 522734581 /nfs/dbraw/zinc/73/45/81/522734581.db2.gz IBHYGTIGZKLOCN-KYOSRNDESA-N 0 0 297.370 2.766 20 10 CFCDRN COCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000299376510 522766274 /nfs/dbraw/zinc/76/62/74/522766274.db2.gz SSLDFDRUMRRPCP-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000287595169 522910834 /nfs/dbraw/zinc/91/08/34/522910834.db2.gz RTGMTVVWHYFTHT-OPQQBVKSSA-N 0 0 255.333 2.995 20 10 CFCDRN COCCCCCN1CCOc2cc(N(C)C)ccc21 ZINC000175023912 523113268 /nfs/dbraw/zinc/11/32/68/523113268.db2.gz SZHGTVOLZZAAOE-UHFFFAOYSA-N 0 0 278.396 2.768 20 10 CFCDRN COCc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879842 523125335 /nfs/dbraw/zinc/12/53/35/523125335.db2.gz HHKLYMMACXPJHW-UHFFFAOYSA-N 0 0 287.315 2.879 20 10 CFCDRN CCn1c(CC2CC2)nnc1N(C)Cc1ccccc1O ZINC000291146215 523175679 /nfs/dbraw/zinc/17/56/79/523175679.db2.gz ZYVSTGXTIOCIEO-UHFFFAOYSA-N 0 0 286.379 2.593 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]nc1C(C)(C)C ZINC000293332882 523384101 /nfs/dbraw/zinc/38/41/01/523384101.db2.gz JVGKQMVJZMZAFT-UHFFFAOYSA-N 0 0 287.363 2.685 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365445 523584111 /nfs/dbraw/zinc/58/41/11/523584111.db2.gz BFYPFJIQZRWENR-WDBKCZKBSA-N 0 0 294.351 2.909 20 10 CFCDRN CO[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000279955084 523609811 /nfs/dbraw/zinc/60/98/11/523609811.db2.gz PGULDNYKDQDEEA-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC000036127476 523850019 /nfs/dbraw/zinc/85/00/19/523850019.db2.gz SNBGHKQSHXYEFV-QGZVFWFLSA-N 0 0 280.371 2.957 20 10 CFCDRN CC[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190104510 523852768 /nfs/dbraw/zinc/85/27/68/523852768.db2.gz JBBRRJGLUSQWHX-WDEREUQCSA-N 0 0 265.353 2.581 20 10 CFCDRN CCc1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000236936618 524003768 /nfs/dbraw/zinc/00/37/68/524003768.db2.gz GNDNYSBPUVGDAG-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN CO[C@](C)(C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000291009760 524027415 /nfs/dbraw/zinc/02/74/15/524027415.db2.gz DVZYWXAJMPYZBS-CQSZACIVSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H](CC1CC1)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000364478438 524091799 /nfs/dbraw/zinc/09/17/99/524091799.db2.gz VRHBOKJHPWOPRX-GFCCVEGCSA-N 0 0 287.407 2.667 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nccs1 ZINC000047241836 524166508 /nfs/dbraw/zinc/16/65/08/524166508.db2.gz FZPQXZSOTOJXGK-NXEZZACHSA-N 0 0 270.423 2.930 20 10 CFCDRN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccs1 ZINC000156712697 524191449 /nfs/dbraw/zinc/19/14/49/524191449.db2.gz SBYVNBFGTCCLJT-SNVBAGLBSA-N 0 0 291.372 2.622 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)c(OC)c1 ZINC000293127766 524355082 /nfs/dbraw/zinc/35/50/82/524355082.db2.gz LATOJWFXBNEVBY-UHFFFAOYSA-N 0 0 290.367 2.582 20 10 CFCDRN COc1ccc(N(CCn2cncn2)[C@@H](C)C2CC2)cc1 ZINC000264711258 524367628 /nfs/dbraw/zinc/36/76/28/524367628.db2.gz MFRGGKRCBNCTME-ZDUSSCGKSA-N 0 0 286.379 2.592 20 10 CFCDRN C[C@@H]1CCC[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000049007672 524387279 /nfs/dbraw/zinc/38/72/79/524387279.db2.gz SWCQIEVNNDNLFS-DOMZBBRYSA-N 0 0 260.381 2.848 20 10 CFCDRN C[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000096811642 524515537 /nfs/dbraw/zinc/51/55/37/524515537.db2.gz XWXLYOAQOLXCNX-ZETCQYMHSA-N 0 0 264.152 2.560 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C=CCC1 ZINC000183483018 524697781 /nfs/dbraw/zinc/69/77/81/524697781.db2.gz UWVAXRMNDQGMRJ-NEPJUHHUSA-N 0 0 275.348 2.501 20 10 CFCDRN Cc1cccc(OCCN(C)C(=O)Cc2ccc(N)cc2)c1 ZINC000237187779 524737081 /nfs/dbraw/zinc/73/70/81/524737081.db2.gz LZTUIABJOSZUFQ-UHFFFAOYSA-N 0 0 298.386 2.657 20 10 CFCDRN COc1ccc(O)c(CNc2cn(C)nc2C2CC2)c1 ZINC000291315930 524754620 /nfs/dbraw/zinc/75/46/20/524754620.db2.gz SDUBAAIEILFFHG-UHFFFAOYSA-N 0 0 273.336 2.624 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])on1 ZINC000062748365 524766005 /nfs/dbraw/zinc/76/60/05/524766005.db2.gz SZOJETFVVOXNSC-VIFPVBQESA-N 0 0 250.273 2.679 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000191313495 524980308 /nfs/dbraw/zinc/98/03/08/524980308.db2.gz BNPHNULXUJLXGQ-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(N)cc1 ZINC000156868307 525118720 /nfs/dbraw/zinc/11/87/20/525118720.db2.gz IZUOPKWEINOWCR-ZDUSSCGKSA-N 0 0 280.371 2.957 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)nc(C)n1 ZINC000043533314 525280415 /nfs/dbraw/zinc/28/04/15/525280415.db2.gz LLPCHESQDAVYJH-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)nnc1C ZINC000302282455 525280612 /nfs/dbraw/zinc/28/06/12/525280612.db2.gz JHIIRVXAJOFADA-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191190468 525293036 /nfs/dbraw/zinc/29/30/36/525293036.db2.gz IKPOXBRKLZCRID-JTQLQIEISA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000276917728 525357521 /nfs/dbraw/zinc/35/75/21/525357521.db2.gz LWLUKFCEPJBGIS-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273485519 525504190 /nfs/dbraw/zinc/50/41/90/525504190.db2.gz NDAVZQOSHBBFPI-UTUOFQBUSA-N 0 0 267.344 2.997 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccc(OC)c1O ZINC000127687169 525531995 /nfs/dbraw/zinc/53/19/95/525531995.db2.gz KVTJLWCRAPSKCW-UHFFFAOYSA-N 0 0 285.343 2.972 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000164738431 525534496 /nfs/dbraw/zinc/53/44/96/525534496.db2.gz JLBWUHQYVQNZRE-MWLCHTKSSA-N 0 0 255.745 2.560 20 10 CFCDRN Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(N)cc1)C2 ZINC000297141128 525596636 /nfs/dbraw/zinc/59/66/36/525596636.db2.gz IEERXMIWZOETRV-KRWDZBQOSA-N 0 0 296.370 2.506 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066768274 525609620 /nfs/dbraw/zinc/60/96/20/525609620.db2.gz LZPLMTXWBKQWKO-SNVBAGLBSA-N 0 0 284.400 2.507 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000063000753 525667407 /nfs/dbraw/zinc/66/74/07/525667407.db2.gz IPJYVHOYGRMZMW-IAQYHMDHSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274747326 525667477 /nfs/dbraw/zinc/66/74/77/525667477.db2.gz GTHGXZKEWNOELN-QMTHXVAHSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227956039 525715212 /nfs/dbraw/zinc/71/52/12/525715212.db2.gz FPGYPIJNSDWJNV-QMMMGPOBSA-N 0 0 278.179 2.950 20 10 CFCDRN Cc1cnc(C(C)(C)NC(=O)Cc2ccc(N)cc2)s1 ZINC000237791267 525977240 /nfs/dbraw/zinc/97/72/40/525977240.db2.gz IPCULHDFCBVOEN-UHFFFAOYSA-N 0 0 289.404 2.628 20 10 CFCDRN COc1cccc(CNc2ccnc(C(C)C)n2)c1O ZINC000301252625 526044524 /nfs/dbraw/zinc/04/45/24/526044524.db2.gz MXCDQOAQUAGVPA-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000361070225 526328241 /nfs/dbraw/zinc/32/82/41/526328241.db2.gz WEIDGMRTPOQXSL-CYBMUJFWSA-N 0 0 275.327 2.565 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000361053151 526328378 /nfs/dbraw/zinc/32/83/78/526328378.db2.gz QEVCTVLVDMVQIS-CQSZACIVSA-N 0 0 288.322 2.580 20 10 CFCDRN Oc1ccc(CCNc2ncnc3c(F)cccc23)cc1O ZINC000302659848 526343711 /nfs/dbraw/zinc/34/37/11/526343711.db2.gz HZRGPNAKNABHBN-UHFFFAOYSA-N 0 0 299.305 2.835 20 10 CFCDRN Cc1nnc(NCc2ccc(N3CCCCC3)cc2)o1 ZINC000181491839 526371003 /nfs/dbraw/zinc/37/10/03/526371003.db2.gz IXUDENKOACNCEA-UHFFFAOYSA-N 0 0 272.352 2.980 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000268736870 526754474 /nfs/dbraw/zinc/75/44/74/526754474.db2.gz LRLDRIMTSMJJGG-HYVNUMGLSA-N 0 0 294.354 2.530 20 10 CFCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)cs1 ZINC000163184455 526867902 /nfs/dbraw/zinc/86/79/02/526867902.db2.gz PRQLVNGWABXVFS-UHFFFAOYSA-N 0 0 289.404 2.917 20 10 CFCDRN Cc1nnc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)[nH]1 ZINC000365840539 527073125 /nfs/dbraw/zinc/07/31/25/527073125.db2.gz WIGFBBIAJQZDDE-MRXNPFEDSA-N 0 0 299.422 2.906 20 10 CFCDRN Nc1ccc(CC(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000237895151 527475957 /nfs/dbraw/zinc/47/59/57/527475957.db2.gz DPOHSAGATFGPOZ-GJZGRUSLSA-N 0 0 290.432 2.698 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000237895902 527477139 /nfs/dbraw/zinc/47/71/39/527477139.db2.gz WAZBXHQAIHTZGQ-KRWDZBQOSA-N 0 0 295.386 2.524 20 10 CFCDRN Nc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000049551232 527479203 /nfs/dbraw/zinc/47/92/03/527479203.db2.gz GQCIMEGRQKIZLK-UHFFFAOYSA-N 0 0 287.388 2.785 20 10 CFCDRN Nc1ccc(CNC(=O)C2CCC(F)(F)CC2)cc1 ZINC000216249285 527482977 /nfs/dbraw/zinc/48/29/77/527482977.db2.gz VVZZEEFVLFJWPK-UHFFFAOYSA-N 0 0 268.307 2.711 20 10 CFCDRN Nc1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000160421368 527492030 /nfs/dbraw/zinc/49/20/30/527492030.db2.gz XAJVCKXUBJRBOA-ZDUSSCGKSA-N 0 0 280.393 2.510 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000063063462 527493178 /nfs/dbraw/zinc/49/31/78/527493178.db2.gz MTRRYERMTMFFTL-HNNXBMFYSA-N 0 0 268.316 2.521 20 10 CFCDRN Cn1ncc(C(=O)CSc2ncc(C(C)(C)C)s2)n1 ZINC000284299303 527564802 /nfs/dbraw/zinc/56/48/02/527564802.db2.gz RNNHRGUYITUEJS-UHFFFAOYSA-N 0 0 296.421 2.544 20 10 CFCDRN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(N)cc1 ZINC000160435295 527596394 /nfs/dbraw/zinc/59/63/94/527596394.db2.gz UXFMLPJWZSFDJY-UHFFFAOYSA-N 0 0 294.305 2.658 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000279768506 527605796 /nfs/dbraw/zinc/60/57/96/527605796.db2.gz JXRFRXJNCYJBRG-LBPRGKRZSA-N 0 0 269.772 2.686 20 10 CFCDRN O=C(NCCC1CCCC1)NCc1ccccc1O ZINC000299526033 527629953 /nfs/dbraw/zinc/62/99/53/527629953.db2.gz RGMGLJUGENCEGT-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN CCN(C(=O)/C=C/c1cncs1)c1ccncc1 ZINC000493580424 535654659 /nfs/dbraw/zinc/65/46/59/535654659.db2.gz CGTXGRAWEDFUKS-ONEGZZNKSA-N 0 0 259.334 2.604 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000493545597 535938241 /nfs/dbraw/zinc/93/82/41/535938241.db2.gz CVAKCVPYPKEMPU-AATRIKPKSA-N 0 0 289.316 2.728 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000753978347 574061200 /nfs/dbraw/zinc/06/12/00/574061200.db2.gz XOIGLROJLGZKEQ-UHFFFAOYSA-N 0 0 298.386 2.829 20 10 CFCDRN CC(=O)c1csc(C(=O)NCc2ccccc2O)c1 ZINC000730281665 574070177 /nfs/dbraw/zinc/07/01/77/574070177.db2.gz QNJJVLNMFWBQHP-UHFFFAOYSA-N 0 0 275.329 2.586 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(CO)cc2)cc1 ZINC000744372618 574071546 /nfs/dbraw/zinc/07/15/46/574071546.db2.gz BXMAYSYIDWXBLR-UHFFFAOYSA-N 0 0 298.386 2.517 20 10 CFCDRN Oc1ccc(CCNc2ncnc3ccsc32)cc1O ZINC000754489657 574097866 /nfs/dbraw/zinc/09/78/66/574097866.db2.gz VVEKBYXGEFXCOD-UHFFFAOYSA-N 0 0 287.344 2.757 20 10 CFCDRN CCOCc1cc(CNCc2cocn2)ccc1OC ZINC000730818915 574098607 /nfs/dbraw/zinc/09/86/07/574098607.db2.gz GIHKLILRQXOZDK-UHFFFAOYSA-N 0 0 276.336 2.510 20 10 CFCDRN CCNC(=S)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000730952730 574104406 /nfs/dbraw/zinc/10/44/06/574104406.db2.gz CDHNTJSEXSWDGH-UHFFFAOYSA-N 0 0 291.464 2.907 20 10 CFCDRN CC[C@@H](C)NC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000728791360 574110590 /nfs/dbraw/zinc/11/05/90/574110590.db2.gz BNWCXEWETVKQHZ-NXEZZACHSA-N 0 0 282.409 2.724 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)NCC2CCC2)cc1 ZINC000731212188 574113645 /nfs/dbraw/zinc/11/36/45/574113645.db2.gz YBVVSFSBNATQRU-UHFFFAOYSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C)c(O)c(CN2CCOC[C@@H]2C(F)(F)F)c1 ZINC000754742711 574117864 /nfs/dbraw/zinc/11/78/64/574117864.db2.gz XUVPXAZHLYOQJC-GFCCVEGCSA-N 0 0 289.297 2.772 20 10 CFCDRN CN(CCOc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000731865298 574131308 /nfs/dbraw/zinc/13/13/08/574131308.db2.gz ARUQDMSOBYIENR-UHFFFAOYSA-N 0 0 277.345 2.605 20 10 CFCDRN CC(C)c1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867971 574132178 /nfs/dbraw/zinc/13/21/78/574132178.db2.gz FSDWGUMBNCCYME-UHFFFAOYSA-N 0 0 269.351 2.681 20 10 CFCDRN O=C(Cc1ccon1)NCc1ccc(N2CCCCC2)cc1 ZINC000746171876 574139046 /nfs/dbraw/zinc/13/90/46/574139046.db2.gz AULVWDMYLYPZEC-UHFFFAOYSA-N 0 0 299.374 2.524 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CCCO2)c1 ZINC000728977676 574143175 /nfs/dbraw/zinc/14/31/75/574143175.db2.gz CGZIRFBCVJBHQX-NWDGAFQWSA-N 0 0 293.363 2.537 20 10 CFCDRN Cc1ncccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000728982804 574143233 /nfs/dbraw/zinc/14/32/33/574143233.db2.gz PCRIRNPJBZGTOT-YRNVUSSQSA-N 0 0 276.386 2.754 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C)c1 ZINC000728977865 574143325 /nfs/dbraw/zinc/14/33/25/574143325.db2.gz GGKATWVFYHYJJJ-MRVPVSSYSA-N 0 0 292.360 2.657 20 10 CFCDRN Cc1cccc(OCCCNC(=O)Cc2ccc(N)cc2)c1 ZINC000746298284 574143594 /nfs/dbraw/zinc/14/35/94/574143594.db2.gz NUTLBSWUXIDTGS-UHFFFAOYSA-N 0 0 298.386 2.705 20 10 CFCDRN C[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1C(=O)[O-] ZINC000737494585 574144736 /nfs/dbraw/zinc/14/47/36/574144736.db2.gz WGFXXRQPZKSLIP-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN CCc1nc(CN2CCCc3cc(OC)ccc32)no1 ZINC000732196670 574146714 /nfs/dbraw/zinc/14/67/14/574146714.db2.gz NBMWAMQEZAQZRZ-UHFFFAOYSA-N 0 0 273.336 2.593 20 10 CFCDRN O=C(NCc1ccc(Cl)o1)C1=CC(=O)CS1 ZINC000732265867 574148168 /nfs/dbraw/zinc/14/81/68/574148168.db2.gz JKFKTUOAMNDEGN-UHFFFAOYSA-N 0 0 257.698 2.630 20 10 CFCDRN O=C(NCc1ccccc1-n1cccn1)C1=CC(=O)CS1 ZINC000732278098 574149048 /nfs/dbraw/zinc/14/90/48/574149048.db2.gz GAOJFZWEHNLDDO-UHFFFAOYSA-N 0 0 299.355 2.569 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)COC ZINC000755244413 574149742 /nfs/dbraw/zinc/14/97/42/574149742.db2.gz VAFDYCRIZXMZJY-AWEZNQCLSA-N 0 0 292.423 2.774 20 10 CFCDRN O=C(NC[C@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000732292840 574150464 /nfs/dbraw/zinc/15/04/64/574150464.db2.gz ANIIDOBXPNOSKA-LLVKDONJSA-N 0 0 273.357 2.914 20 10 CFCDRN CCc1csc(NC(=O)C2=CC(=O)CS2)n1 ZINC000732287994 574150751 /nfs/dbraw/zinc/15/07/51/574150751.db2.gz KVAZPTFHPZWKQQ-UHFFFAOYSA-N 0 0 254.336 2.725 20 10 CFCDRN Cc1ccc(OCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732354905 574153152 /nfs/dbraw/zinc/15/31/52/574153152.db2.gz VYJHXUAHSSQDJE-UHFFFAOYSA-N 0 0 278.329 2.998 20 10 CFCDRN CC(C)[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)NC(C)(C)C ZINC000732354409 574153198 /nfs/dbraw/zinc/15/31/98/574153198.db2.gz LLQFRIXZJIRDDV-LLVKDONJSA-N 0 0 299.392 2.550 20 10 CFCDRN Cc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000169817874 574156426 /nfs/dbraw/zinc/15/64/26/574156426.db2.gz HETIUXWEPKNYOM-UHFFFAOYSA-N 0 0 280.371 2.917 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccc(O)c(F)c2)SC1=S ZINC000755402250 574160260 /nfs/dbraw/zinc/16/02/60/574160260.db2.gz JEBXTHLTBMHPFB-UXBLZVDNSA-N 0 0 283.349 2.752 20 10 CFCDRN Cc1cc(NCc2ccccc2O)nc(-c2ccncc2)n1 ZINC000732568307 574161369 /nfs/dbraw/zinc/16/13/69/574161369.db2.gz OZCZXZAVMZWIHQ-UHFFFAOYSA-N 0 0 292.342 2.587 20 10 CFCDRN CN(C)c1ccc(CNC(=S)NC(C)(C)C)cc1F ZINC000746684674 574162866 /nfs/dbraw/zinc/16/28/66/574162866.db2.gz BQTCVLCONTXVSE-UHFFFAOYSA-N 0 0 283.416 2.654 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccc(F)c2)cc1F ZINC000746798320 574166148 /nfs/dbraw/zinc/16/61/48/574166148.db2.gz UIRNMTAGMMUSFG-UHFFFAOYSA-N 0 0 290.313 2.961 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC2(C)C)cc1 ZINC000732822431 574174078 /nfs/dbraw/zinc/17/40/78/574174078.db2.gz PEDGKXHPCITFHP-ZDUSSCGKSA-N 0 0 275.396 2.598 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C)c1 ZINC000729279764 574195881 /nfs/dbraw/zinc/19/58/81/574195881.db2.gz BJKQDTHVJYSILO-VIFPVBQESA-N 0 0 251.326 2.624 20 10 CFCDRN CC[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729280186 574195905 /nfs/dbraw/zinc/19/59/05/574195905.db2.gz PAIUCNGALFSTAR-UWVGGRQHSA-N 0 0 251.326 2.624 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC12CCCC2 ZINC000747512285 574199187 /nfs/dbraw/zinc/19/91/87/574199187.db2.gz MIYFTIMZTLWTMP-CYBMUJFWSA-N 0 0 259.349 2.931 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccon1 ZINC000747594691 574202657 /nfs/dbraw/zinc/20/26/57/574202657.db2.gz VNFKVTGXBQGBBF-UHFFFAOYSA-N 0 0 289.335 2.502 20 10 CFCDRN O=C([O-])CCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756282985 574221354 /nfs/dbraw/zinc/22/13/54/574221354.db2.gz WLMHWWMYHOISJL-UHFFFAOYSA-N 0 0 277.364 2.746 20 10 CFCDRN O=C([O-])CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000739672545 574223226 /nfs/dbraw/zinc/22/32/26/574223226.db2.gz POFIYUWNISBFTN-UHFFFAOYSA-N 0 0 289.331 2.852 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1CCC(=O)CC1 ZINC000748042947 574226037 /nfs/dbraw/zinc/22/60/37/574226037.db2.gz YNESDDLCRNWYFS-UHFFFAOYSA-N 0 0 289.375 2.890 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756354398 574228916 /nfs/dbraw/zinc/22/89/16/574228916.db2.gz AQLXAWGZIWSPBM-SCZZXKLOSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756366689 574229815 /nfs/dbraw/zinc/22/98/15/574229815.db2.gz HVFLFUHQQVHUFE-SNVBAGLBSA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756366687 574229952 /nfs/dbraw/zinc/22/99/52/574229952.db2.gz HVFLFUHQQVHUFE-JTQLQIEISA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000756386576 574232384 /nfs/dbraw/zinc/23/23/84/574232384.db2.gz YGZZGXGRILNIOG-TVQRCGJNSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756399466 574233627 /nfs/dbraw/zinc/23/36/27/574233627.db2.gz PPYWIHRYWRFGAV-CMPLNLGQSA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756404257 574233894 /nfs/dbraw/zinc/23/38/94/574233894.db2.gz SIJITQLLEAVRLK-ZJUUUORDSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(F)cc(F)c1[O-] ZINC000756404256 574233952 /nfs/dbraw/zinc/23/39/52/574233952.db2.gz SIJITQLLEAVRLK-VHSXEESVSA-N 0 0 281.306 2.606 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC1 ZINC000740084039 574235534 /nfs/dbraw/zinc/23/55/34/574235534.db2.gz RCCUGMIDGYJLDJ-CYBMUJFWSA-N 0 0 277.364 2.557 20 10 CFCDRN Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756445041 574238236 /nfs/dbraw/zinc/23/82/36/574238236.db2.gz XQZURVATETXTEC-NSHDSACASA-N 0 0 287.319 2.855 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498647 574241678 /nfs/dbraw/zinc/24/16/78/574241678.db2.gz VUKYKIAAZOLULT-KOLCDFICSA-N 0 0 273.323 2.728 20 10 CFCDRN Cc1ccc(C(=O)OCCc2cccs2)c(O)c1O ZINC000733476200 574242756 /nfs/dbraw/zinc/24/27/56/574242756.db2.gz MOAYDFDADKABLW-UHFFFAOYSA-N 0 0 278.329 2.867 20 10 CFCDRN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000739639451 574244113 /nfs/dbraw/zinc/24/41/13/574244113.db2.gz MPUZQHFYADCVHG-OAHLLOKOSA-N 0 0 289.375 2.710 20 10 CFCDRN C[C@@H](COC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000748276663 574244555 /nfs/dbraw/zinc/24/45/55/574244555.db2.gz GEVLLLWKOFVTLW-YFKPBYRVSA-N 0 0 254.229 2.809 20 10 CFCDRN Cc1cc(C)cc(OCC(=O)NCc2ccccc2O)c1 ZINC000748352332 574248134 /nfs/dbraw/zinc/24/81/34/574248134.db2.gz BBRMWRKLHNTZMW-UHFFFAOYSA-N 0 0 285.343 2.704 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756573725 574249271 /nfs/dbraw/zinc/24/92/71/574249271.db2.gz BYSVSYSRZLRMIW-LKFCYVNXSA-N 0 0 273.323 2.872 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756597885 574251107 /nfs/dbraw/zinc/25/11/07/574251107.db2.gz QPQIEUHQYYUWEY-MFKMUULPSA-N 0 0 282.340 2.622 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756597020 574251216 /nfs/dbraw/zinc/25/12/16/574251216.db2.gz IZHASJMOQBSENL-RISCZKNCSA-N 0 0 295.379 2.500 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756619023 574252545 /nfs/dbraw/zinc/25/25/45/574252545.db2.gz VURVKXIVJDEQGP-MNOVXSKESA-N 0 0 284.350 2.805 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756628562 574253123 /nfs/dbraw/zinc/25/31/23/574253123.db2.gz WHIQSXJOEUFGHQ-GMXVVIOVSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1cc(CNC(=O)NCc2ccccc2O)ccc1F ZINC000748463573 574254093 /nfs/dbraw/zinc/25/40/93/574254093.db2.gz XBRPWGPZPQCFFR-UHFFFAOYSA-N 0 0 288.322 2.839 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756646772 574255048 /nfs/dbraw/zinc/25/50/48/574255048.db2.gz PFJKFCZEWWDJKI-GRYCIOLGSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756646949 574255382 /nfs/dbraw/zinc/25/53/82/574255382.db2.gz QYHXAFKDLHOUQA-IJLUTSLNSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756764312 574260916 /nfs/dbraw/zinc/26/09/16/574260916.db2.gz DZKQXXJHZOMZCP-LLVKDONJSA-N 0 0 294.351 2.504 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cn[nH]c1 ZINC000756776450 574261672 /nfs/dbraw/zinc/26/16/72/574261672.db2.gz PIUSIQZJLSOFHR-HTQZYQBOSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1[O-] ZINC000756769862 574261848 /nfs/dbraw/zinc/26/18/48/574261848.db2.gz RHOIQOABECQXIR-SECBINFHSA-N 0 0 264.275 2.916 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1F ZINC000740702137 574263012 /nfs/dbraw/zinc/26/30/12/574263012.db2.gz NKNLHGVTWMFRES-HNNXBMFYSA-N 0 0 298.361 2.848 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000740750188 574265434 /nfs/dbraw/zinc/26/54/34/574265434.db2.gz AHJAAQZLPZEMQV-ZBEGNZNMSA-N 0 0 297.354 2.918 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000756835114 574266824 /nfs/dbraw/zinc/26/68/24/574266824.db2.gz MSZZLCUGEIAJNE-QUBYGPBYSA-N 0 0 299.239 2.898 20 10 CFCDRN CC(C)C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)OC(C)C ZINC000734017926 574270651 /nfs/dbraw/zinc/27/06/51/574270651.db2.gz SXVWRPYLVAMCSO-NSHDSACASA-N 0 0 299.392 2.550 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccc(Cl)nc2)SC1=S ZINC000749000695 574275899 /nfs/dbraw/zinc/27/58/99/574275899.db2.gz QQEIYURZKPEKFH-YVMONPNESA-N 0 0 284.793 2.956 20 10 CFCDRN OC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000734160763 574277513 /nfs/dbraw/zinc/27/75/13/574277513.db2.gz GSKGUESUYOCSFF-QGZVFWFLSA-N 0 0 283.371 2.920 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1O ZINC000734405375 574285572 /nfs/dbraw/zinc/28/55/72/574285572.db2.gz DKJUDLKSPGUYJZ-UHFFFAOYSA-N 0 0 284.359 2.697 20 10 CFCDRN NC(=O)CN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734486760 574288667 /nfs/dbraw/zinc/28/86/67/574288667.db2.gz QBJKGNMIVKEHJE-UHFFFAOYSA-N 0 0 296.370 2.504 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H](C)C(C)(C)C)c1 ZINC000734670942 574298194 /nfs/dbraw/zinc/29/81/94/574298194.db2.gz MPZVHRNQUIOGBO-NSHDSACASA-N 0 0 294.395 2.882 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)C2CCCC2)c1O ZINC000749531985 574299377 /nfs/dbraw/zinc/29/93/77/574299377.db2.gz YSVCBDHMCJPIKE-NSHDSACASA-N 0 0 277.364 2.843 20 10 CFCDRN CCCOC(=O)[C@@H](C)N(CC)c1ccc(OC)c(OC)c1 ZINC000741785297 574303263 /nfs/dbraw/zinc/30/32/63/574303263.db2.gz ZQXRPXUOEITXSL-GFCCVEGCSA-N 0 0 295.379 2.872 20 10 CFCDRN CCOCCCN(CC)c1ccc(OC)c(OC)c1 ZINC000741784882 574303361 /nfs/dbraw/zinc/30/33/61/574303361.db2.gz WTVVVSCTENREAP-UHFFFAOYSA-N 0 0 267.369 2.957 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)CCCC(=O)[O-])cc1 ZINC000734844581 574304191 /nfs/dbraw/zinc/30/41/91/574304191.db2.gz OMKMOQDSPAEQQA-UHFFFAOYSA-N 0 0 278.396 2.829 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)C1=CC(=O)CS1 ZINC000743632530 574308441 /nfs/dbraw/zinc/30/84/41/574308441.db2.gz IAYWABOGMAPPTK-WCQYABFASA-N 0 0 273.357 2.815 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000739030980 574312097 /nfs/dbraw/zinc/31/20/97/574312097.db2.gz JCSXSPNDEPWLNS-LLVKDONJSA-N 0 0 271.316 2.622 20 10 CFCDRN O=C(CCc1cccc(F)c1F)NCc1ccccc1O ZINC000749942241 574317597 /nfs/dbraw/zinc/31/75/97/574317597.db2.gz UGUSBYVVOQDARC-UHFFFAOYSA-N 0 0 291.297 2.919 20 10 CFCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000742372811 574325688 /nfs/dbraw/zinc/32/56/88/574325688.db2.gz HZSPQNZWRNNVKX-UHFFFAOYSA-N 0 0 250.298 2.579 20 10 CFCDRN COc1cc(C)nc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000742420030 574328886 /nfs/dbraw/zinc/32/88/86/574328886.db2.gz UZCUHPSQTOXKQD-UHFFFAOYSA-N 0 0 299.374 2.990 20 10 CFCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1(C)CC1 ZINC000725849151 574329741 /nfs/dbraw/zinc/32/97/41/574329741.db2.gz IXXSYAUVWCHPBB-VIFPVBQESA-N 0 0 250.298 2.579 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)C ZINC000735856426 574339192 /nfs/dbraw/zinc/33/91/92/574339192.db2.gz GBCHLUXWCNHAPW-AWEZNQCLSA-N 0 0 279.380 2.538 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000736018261 574347859 /nfs/dbraw/zinc/34/78/59/574347859.db2.gz DUTFNXXPNSMRCZ-KTKRTIGZSA-N 0 0 295.386 2.975 20 10 CFCDRN CCC/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952608 574348360 /nfs/dbraw/zinc/34/83/60/574348360.db2.gz NODVESXWVQYTPR-VOTSOKGWSA-N 0 0 274.364 2.834 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000743311118 574357951 /nfs/dbraw/zinc/35/79/51/574357951.db2.gz CZBDRCGARSPPLG-QMMMGPOBSA-N 0 0 261.243 2.549 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCS1 ZINC000743415879 574363024 /nfs/dbraw/zinc/36/30/24/574363024.db2.gz MTMSXUDFTYVYAA-AWEZNQCLSA-N 0 0 278.421 2.573 20 10 CFCDRN CCO[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCCC2 ZINC000743790883 574372205 /nfs/dbraw/zinc/37/22/05/574372205.db2.gz OLRCGRPGHXEKMG-OLZOCXBDSA-N 0 0 295.404 2.921 20 10 CFCDRN Cc1ccsc1CNC(=O)c1ccc(C)c(O)c1O ZINC000751536572 574378762 /nfs/dbraw/zinc/37/87/62/574378762.db2.gz ZLGIFDOLGIFFPI-UHFFFAOYSA-N 0 0 277.345 2.706 20 10 CFCDRN CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931858 574385327 /nfs/dbraw/zinc/38/53/27/574385327.db2.gz UJPNUDKEGFAZFV-UHFFFAOYSA-N 0 0 276.361 2.883 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NCC2(C)CC2)cc1 ZINC000752018629 574386822 /nfs/dbraw/zinc/38/68/22/574386822.db2.gz BXWYNWHEFRMIQW-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)CCC(C)=O)cc1 ZINC000752760740 574394734 /nfs/dbraw/zinc/39/47/34/574394734.db2.gz KJRIHZZLDQPEQQ-UHFFFAOYSA-N 0 0 290.407 2.860 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCS1 ZINC000752793527 574395276 /nfs/dbraw/zinc/39/52/76/574395276.db2.gz SLNPYTRCSDCJRX-PZBABLGHSA-N 0 0 293.388 2.513 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2c(F)ccc(F)c2C1 ZINC000752824657 574395604 /nfs/dbraw/zinc/39/56/04/574395604.db2.gz VHLCTGWWYCIFLG-UHFFFAOYSA-N 0 0 295.310 2.930 20 10 CFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC(C)(C)C1 ZINC000753487550 574403154 /nfs/dbraw/zinc/40/31/54/574403154.db2.gz AKTGOKJMUXYZFQ-VIFPVBQESA-N 0 0 253.367 2.962 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cc(C)ccc1O ZINC000753573025 574405020 /nfs/dbraw/zinc/40/50/20/574405020.db2.gz XRWPICKBGGGBNK-CQSZACIVSA-N 0 0 277.364 2.522 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000818316614 597154226 /nfs/dbraw/zinc/15/42/26/597154226.db2.gz AWFYBUCPBCCAIG-OAHLLOKOSA-N 0 0 276.380 2.630 20 10 CFCDRN C/C(=C/C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C)C(=O)[O-] ZINC000825730073 601219443 /nfs/dbraw/zinc/21/94/43/601219443.db2.gz QSFQMQCGKZIPTJ-UVTDQMKNSA-N 0 0 290.407 2.994 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]C(CC)(CC)CC(=O)[O-])c1 ZINC000830084710 601261805 /nfs/dbraw/zinc/26/18/05/601261805.db2.gz KSKCHVAQXKKCDY-UHFFFAOYSA-N 0 0 295.379 2.914 20 10 CFCDRN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(C)c(C)cc1O ZINC000828664465 601432227 /nfs/dbraw/zinc/43/22/27/601432227.db2.gz ADPKQEMSFKCAHI-HNNXBMFYSA-N 0 0 265.353 2.742 20 10 CFCDRN CCOc1ccc(C[NH2+][C@@](C)(CC)CC(=O)[O-])c(O)c1 ZINC000830075509 601432877 /nfs/dbraw/zinc/43/28/77/601432877.db2.gz ZBGOIGCUDWHAQD-HNNXBMFYSA-N 0 0 281.352 2.524 20 10 CFCDRN Cc1ccc(O)c(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000230042375 604679387 /nfs/dbraw/zinc/67/93/87/604679387.db2.gz SQHLLKXTWZNWOJ-QEJZJMRPSA-N 0 0 289.375 2.918 20 10 CFCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccoc2C(=O)[O-])c1 ZINC000833733887 605128183 /nfs/dbraw/zinc/12/81/83/605128183.db2.gz UWNUPXATWGASKD-VIFPVBQESA-N 0 0 291.303 2.543 20 10 CFCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000135046794 605547562 /nfs/dbraw/zinc/54/75/62/605547562.db2.gz XGVUNUDPPZPEMS-CYBMUJFWSA-N 0 0 277.364 2.715 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC1(C)C ZINC000935945443 649964020 /nfs/dbraw/zinc/96/40/20/649964020.db2.gz XGRUXVYCTVEKEB-NSHDSACASA-N 0 0 282.380 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@H](C)C1 ZINC000935949315 649964797 /nfs/dbraw/zinc/96/47/97/649964797.db2.gz XTTCITGLJFDSSD-RYUDHWBXSA-N 0 0 282.380 2.930 20 10 CFCDRN C[C@H]([NH2+]CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806171624 630779511 /nfs/dbraw/zinc/77/95/11/630779511.db2.gz PQXIALWGAABXRD-QMMMGPOBSA-N 0 0 277.195 2.911 20 10 CFCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1cccc(Cl)c1O ZINC000890759829 617836768 /nfs/dbraw/zinc/83/67/68/617836768.db2.gz RNMKYGUWOOEIIN-ZANVPECISA-N 0 0 285.771 2.723 20 10 CFCDRN O=C(C=C1CCC1)NCc1cccc(Cl)c1O ZINC000890759451 617836993 /nfs/dbraw/zinc/83/69/93/617836993.db2.gz CASQPDKXSXJUQK-UHFFFAOYSA-N 0 0 251.713 2.772 20 10 CFCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000890760123 617837088 /nfs/dbraw/zinc/83/70/88/617837088.db2.gz IREFSSCYNGSSGB-QMMMGPOBSA-N 0 0 253.729 2.708 20 10 CFCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761337 617838466 /nfs/dbraw/zinc/83/84/66/617838466.db2.gz OMVVGBAPPYJGIP-YPMHNXCESA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(/C=C\C1CC1)NCc1cccc(Cl)c1O ZINC000890760596 617839195 /nfs/dbraw/zinc/83/91/95/617839195.db2.gz UVLJDAMCDVBGQG-SREVYHEPSA-N 0 0 251.713 2.628 20 10 CFCDRN C[C@H](CC(=O)NCc1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000890761747 617841177 /nfs/dbraw/zinc/84/11/77/617841177.db2.gz WJFURBUTNXAQPX-ZWNOBZJWSA-N 0 0 297.782 2.867 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000287294483 617716467 /nfs/dbraw/zinc/71/64/67/617716467.db2.gz CDMFWOZZLQXXLV-YNEHKIRRSA-N 0 0 269.772 3.000 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](O)CC ZINC000901053341 620747528 /nfs/dbraw/zinc/74/75/28/620747528.db2.gz NXNMVLSTXULHRF-TZMCWYRMSA-N 0 0 279.380 2.538 20 10 CFCDRN O=C(NC[C@@]12C[C@@H]1CCCC2)N1Cc2cccc(O)c2C1 ZINC000924371150 617729937 /nfs/dbraw/zinc/72/99/37/617729937.db2.gz GTKJWSOBLYZIJL-SUMWQHHRSA-N 0 0 286.375 2.998 20 10 CFCDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1cc(F)ccc1O ZINC000308690306 617787938 /nfs/dbraw/zinc/78/79/38/617787938.db2.gz HKLNSMAUOBCJDP-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN CCc1noc(C)c1C(=O)NCc1cccc(Cl)c1O ZINC000890758130 617835574 /nfs/dbraw/zinc/83/55/74/617835574.db2.gz RPLYWBWOENNOJB-UHFFFAOYSA-N 0 0 294.738 2.834 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762763 617842008 /nfs/dbraw/zinc/84/20/08/617842008.db2.gz HUZZZLUOHLEXIW-SASUGWTJSA-N 0 0 279.767 2.954 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890763402 617843440 /nfs/dbraw/zinc/84/34/40/617843440.db2.gz VNWWBCUKCCLIEK-BSTOTGJRSA-N 0 0 297.782 2.721 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cccc(Cl)c1[O-] ZINC000806131135 617871856 /nfs/dbraw/zinc/87/18/56/617871856.db2.gz GRAFKBIXTDXSFF-ZWNOBZJWSA-N 0 0 285.771 2.502 20 10 CFCDRN CCN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F ZINC000077434411 617989727 /nfs/dbraw/zinc/98/97/27/617989727.db2.gz IJGHIMBZCLBEIL-UHFFFAOYSA-N 0 0 277.242 2.505 20 10 CFCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000042117562 618012488 /nfs/dbraw/zinc/01/24/88/618012488.db2.gz RSNQKJDRGMMCOD-UHFFFAOYSA-N 0 0 289.356 2.929 20 10 CFCDRN COc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000177667469 618014849 /nfs/dbraw/zinc/01/48/49/618014849.db2.gz NCBSWEKZBAPAAE-UHFFFAOYSA-N 0 0 273.288 2.667 20 10 CFCDRN COCCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000044658323 618034687 /nfs/dbraw/zinc/03/46/87/618034687.db2.gz OWFJHHGPXCXDJU-UHFFFAOYSA-N 0 0 288.185 2.671 20 10 CFCDRN CCOC(=O)[C@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000049370289 618054421 /nfs/dbraw/zinc/05/44/21/618054421.db2.gz VOAFKQHOJRCWKS-ZDUSSCGKSA-N 0 0 278.396 2.574 20 10 CFCDRN C/C(=C/C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000255516887 618066507 /nfs/dbraw/zinc/06/65/07/618066507.db2.gz XYCDCJGSDSFNFD-BENRWUELSA-N 0 0 286.375 2.834 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CC(C)(C)c3ccccc32)c1 ZINC000934574122 618080990 /nfs/dbraw/zinc/08/09/90/618080990.db2.gz RHNZHZLSMGQIDX-CMDGGOBGSA-N 0 0 281.359 2.758 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000086809198 618093373 /nfs/dbraw/zinc/09/33/73/618093373.db2.gz LEHWXYQYPLQZOQ-CQSZACIVSA-N 0 0 290.407 2.829 20 10 CFCDRN COC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000307793842 618098075 /nfs/dbraw/zinc/09/80/75/618098075.db2.gz XFEMIZOSGGEHMY-GFCCVEGCSA-N 0 0 253.317 2.532 20 10 CFCDRN COc1ccc(CNc2ccccc2CO)c(O)c1OC ZINC000892313699 618111411 /nfs/dbraw/zinc/11/14/11/618111411.db2.gz PNEGYRKNBWEXAG-UHFFFAOYSA-N 0 0 289.331 2.514 20 10 CFCDRN CN(C)C(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000234247123 618115361 /nfs/dbraw/zinc/11/53/61/618115361.db2.gz APNLWHZJLHKAGD-UHFFFAOYSA-N 0 0 288.322 2.845 20 10 CFCDRN CC(C)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000849745249 618155613 /nfs/dbraw/zinc/15/56/13/618155613.db2.gz NEWGFMXGUNHFFS-BXKUYDPTSA-N 0 0 250.294 2.699 20 10 CFCDRN CC(C)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000849745251 618155740 /nfs/dbraw/zinc/15/57/40/618155740.db2.gz NEWGFMXGUNHFFS-STUBTGCMSA-N 0 0 250.294 2.699 20 10 CFCDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000934943522 618161511 /nfs/dbraw/zinc/16/15/11/618161511.db2.gz IHKCGRXDAKHPMJ-UHFFFAOYSA-N 0 0 277.364 2.786 20 10 CFCDRN CN(Cc1cc(Br)ccc1O)CC(F)F ZINC000092508788 618180918 /nfs/dbraw/zinc/18/09/18/618180918.db2.gz MBNIILRXFNLCSX-UHFFFAOYSA-N 0 0 280.112 2.852 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cn2ccnc2s1 ZINC000891407441 618189110 /nfs/dbraw/zinc/18/91/10/618189110.db2.gz RAKUEUULGSJZKN-UHFFFAOYSA-N 0 0 285.372 2.967 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000933324381 618200484 /nfs/dbraw/zinc/20/04/84/618200484.db2.gz WOAMYXRUMCSFPJ-SREVYHEPSA-N 0 0 279.343 2.512 20 10 CFCDRN COc1ccc(/C=C\C(=O)NCc2ccccc2O)cc1 ZINC000313482989 618211150 /nfs/dbraw/zinc/21/11/50/618211150.db2.gz NKUHOUBPSROQBU-FLIBITNWSA-N 0 0 283.327 2.730 20 10 CFCDRN C[NH2+][C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000053201267 618256841 /nfs/dbraw/zinc/25/68/41/618256841.db2.gz BINORIQKWBLBNV-NSHDSACASA-N 0 0 289.206 2.883 20 10 CFCDRN COc1cccc(CN(C)c2ccc(OC)c(F)c2)n1 ZINC000177065974 618276653 /nfs/dbraw/zinc/27/66/53/618276653.db2.gz VBETYAIKQPWSAQ-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCc2ccoc2)cc1 ZINC000177077293 618301284 /nfs/dbraw/zinc/30/12/84/618301284.db2.gz SEXLBWHDWPGERQ-UHFFFAOYSA-N 0 0 272.348 2.595 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c(O)c1O ZINC000179538483 618325255 /nfs/dbraw/zinc/32/52/55/618325255.db2.gz GQQYTQMEGIZALJ-RYUDHWBXSA-N 0 0 275.348 2.668 20 10 CFCDRN COc1cc(C)cc(CNc2ccccc2CO)c1O ZINC000894115961 618350166 /nfs/dbraw/zinc/35/01/66/618350166.db2.gz LHJDSQYYJJGDEY-UHFFFAOYSA-N 0 0 273.332 2.814 20 10 CFCDRN COC(=O)c1cnc(CN(C)c2ccc(OC)cc2)s1 ZINC000895129312 618352329 /nfs/dbraw/zinc/35/23/29/618352329.db2.gz UVFPCRPPILVKLQ-UHFFFAOYSA-N 0 0 292.360 2.575 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)ccnc2N)cc1 ZINC000895129578 618353015 /nfs/dbraw/zinc/35/30/15/618353015.db2.gz XDYABOAQADPYLC-UHFFFAOYSA-N 0 0 257.337 2.617 20 10 CFCDRN O=C(CSc1nccs1)Nc1ccc2c(c1)OCO2 ZINC000047238429 618366284 /nfs/dbraw/zinc/36/62/84/618366284.db2.gz YRSPBDMAYIQTCD-UHFFFAOYSA-N 0 0 294.357 2.603 20 10 CFCDRN C[C@@H](CO)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895137834 618366790 /nfs/dbraw/zinc/36/67/90/618366790.db2.gz YIFQQEGLHCUMRQ-JTQLQIEISA-N 0 0 285.334 2.511 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C2(CCC2)CO1 ZINC000895142203 618375581 /nfs/dbraw/zinc/37/55/81/618375581.db2.gz JRGABNAWSZXETP-SNVBAGLBSA-N 0 0 283.318 2.814 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NC/C=C\Cl)ccc21 ZINC000892492205 618378388 /nfs/dbraw/zinc/37/83/88/618378388.db2.gz MNESNKSWJGUZSR-CLTKARDFSA-N 0 0 293.798 2.621 20 10 CFCDRN CC(C)COC[C@H](O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191582043 618409497 /nfs/dbraw/zinc/40/94/97/618409497.db2.gz MCCBHBVBDUKBOE-MRXNPFEDSA-N 0 0 295.423 2.944 20 10 CFCDRN CN(C)c1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1 ZINC000192767134 618437074 /nfs/dbraw/zinc/43/70/74/618437074.db2.gz CGYDWCUTRUJHEK-UHFFFAOYSA-N 0 0 286.335 2.855 20 10 CFCDRN CSc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2)c1 ZINC000726150640 618449542 /nfs/dbraw/zinc/44/95/42/618449542.db2.gz DVTXCOUZQRWNJS-FPLPWBNLSA-N 0 0 287.388 2.818 20 10 CFCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000177659299 618466000 /nfs/dbraw/zinc/46/60/00/618466000.db2.gz ANEZCXHKECCBRZ-UHFFFAOYSA-N 0 0 273.288 2.667 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2coc(C3CCC3)n2)cc1 ZINC000193883412 618476393 /nfs/dbraw/zinc/47/63/93/618476393.db2.gz CYRHUANJICPSSI-UHFFFAOYSA-N 0 0 299.374 2.938 20 10 CFCDRN COc1ccc(CN[C@H](C)c2cscn2)c(O)c1OC ZINC000895339215 618537986 /nfs/dbraw/zinc/53/79/86/618537986.db2.gz ZIBDAMUEOCWRBL-SECBINFHSA-N 0 0 294.376 2.717 20 10 CFCDRN CCOc1ccc(O)c(CN2CC[C@H]2C(F)F)c1 ZINC000895437357 618585326 /nfs/dbraw/zinc/58/53/26/618585326.db2.gz STCCRFJHWPJKPG-NSHDSACASA-N 0 0 257.280 2.630 20 10 CFCDRN CCn1cc(CNc2ccccc2NC(C)C)nn1 ZINC000901433726 620819222 /nfs/dbraw/zinc/81/92/22/620819222.db2.gz ZTBHIPJNOJQHLU-UHFFFAOYSA-N 0 0 259.357 2.730 20 10 CFCDRN COCc1nccc(NCCCSc2nccs2)n1 ZINC000892515675 618604633 /nfs/dbraw/zinc/60/46/33/618604633.db2.gz WZGGYLPMQNSBFX-UHFFFAOYSA-N 0 0 296.421 2.674 20 10 CFCDRN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000236416943 618622052 /nfs/dbraw/zinc/62/20/52/618622052.db2.gz LOAMTLHKEUHQQV-CYBMUJFWSA-N 0 0 281.327 2.751 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nccn2ccnc12 ZINC000892564406 618635002 /nfs/dbraw/zinc/63/50/02/618635002.db2.gz UEKRMCQMMRZIBD-UHFFFAOYSA-N 0 0 281.363 2.716 20 10 CFCDRN CSCC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000077643776 618647384 /nfs/dbraw/zinc/64/73/84/618647384.db2.gz RMPQBQUYZYDJNH-NSHDSACASA-N 0 0 282.409 2.675 20 10 CFCDRN COc1cc(CN2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000163981338 618683475 /nfs/dbraw/zinc/68/34/75/618683475.db2.gz NPSKQSHAONIANS-LBPRGKRZSA-N 0 0 293.407 2.919 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)CC1(F)F ZINC000935944984 618713445 /nfs/dbraw/zinc/71/34/45/618713445.db2.gz GSZBBMKSDFVZNP-ZDUSSCGKSA-N 0 0 290.306 2.539 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000935948546 618717718 /nfs/dbraw/zinc/71/77/18/618717718.db2.gz OQEDEWGPGPIFOV-VXGBXAGGSA-N 0 0 282.380 2.786 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1 ZINC000840890315 618724637 /nfs/dbraw/zinc/72/46/37/618724637.db2.gz LYXBAMVYODRXOQ-ZIAGYGMSSA-N 0 0 291.439 2.706 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nc(C(C)C)no2)c1 ZINC000182359798 625289047 /nfs/dbraw/zinc/28/90/47/625289047.db2.gz GUVDEEDBIFVUKX-SNVBAGLBSA-N 0 0 291.351 2.758 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)C(C)C)c1 ZINC000784445073 618776218 /nfs/dbraw/zinc/77/62/18/618776218.db2.gz ZWODGIZKMSSHLV-TVQRCGJNSA-N 0 0 269.316 2.572 20 10 CFCDRN CCOCc1nc(C)cc(N(C)Cc2ccccc2O)n1 ZINC000893020018 618805947 /nfs/dbraw/zinc/80/59/47/618805947.db2.gz ZFCGYVZNIKXTHQ-UHFFFAOYSA-N 0 0 287.363 2.664 20 10 CFCDRN CSC[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893099059 618831619 /nfs/dbraw/zinc/83/16/19/618831619.db2.gz HGECXFITBGMDAN-MRVPVSSYSA-N 0 0 288.800 2.596 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCc1ccccc1 ZINC000180589191 618864645 /nfs/dbraw/zinc/86/46/45/618864645.db2.gz KILQEWAKABFXJD-PKNBQFBNSA-N 0 0 297.354 2.860 20 10 CFCDRN C[C@@H](NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000123269514 618864763 /nfs/dbraw/zinc/86/47/63/618864763.db2.gz RFPVXWJIXBKDNN-SECBINFHSA-N 0 0 285.771 2.865 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CCCC1 ZINC000180908246 618869682 /nfs/dbraw/zinc/86/96/82/618869682.db2.gz HCUGWUDMVYHZRI-SOFGYWHQSA-N 0 0 275.348 2.808 20 10 CFCDRN CC[C@H](C)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000183799532 618909746 /nfs/dbraw/zinc/90/97/46/618909746.db2.gz DCVAYCVNKQBPLM-LBPRGKRZSA-N 0 0 265.353 2.721 20 10 CFCDRN C=Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000185461009 618926649 /nfs/dbraw/zinc/92/66/49/618926649.db2.gz KBJLDZBXFVCEDQ-UHFFFAOYSA-N 0 0 283.327 2.713 20 10 CFCDRN O=C(NCCOC1CCCCCC1)c1cccc(O)c1O ZINC000185685901 618929450 /nfs/dbraw/zinc/92/94/50/618929450.db2.gz WVUFMCQMGIOVRF-UHFFFAOYSA-N 0 0 293.363 2.567 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2nc(C)c(C)o2)c1 ZINC000182447347 625304415 /nfs/dbraw/zinc/30/44/15/625304415.db2.gz CYTSNRGZMLIPSR-JTQLQIEISA-N 0 0 276.336 2.856 20 10 CFCDRN C=Cn1cc(CN(C)c2ccc(OC)c(F)c2)cn1 ZINC000194602355 618938318 /nfs/dbraw/zinc/93/83/18/618938318.db2.gz ZTFDEDZIVJOWOE-UHFFFAOYSA-N 0 0 261.300 2.768 20 10 CFCDRN Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)ccn1C ZINC000195152076 618947224 /nfs/dbraw/zinc/94/72/24/618947224.db2.gz XGQLFCWBTXFRGB-UHFFFAOYSA-N 0 0 297.402 2.646 20 10 CFCDRN CCc1cccnc1NCc1ccc(OC)c(OC)c1O ZINC000893381158 618955498 /nfs/dbraw/zinc/95/54/98/618955498.db2.gz BRPCVSJFEDVFGG-UHFFFAOYSA-N 0 0 288.347 2.979 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2N)cc1 ZINC000314853510 619093818 /nfs/dbraw/zinc/09/38/18/619093818.db2.gz CHWWSSDBOKJBHN-UHFFFAOYSA-N 0 0 297.402 2.536 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nc1 ZINC000163032111 619120160 /nfs/dbraw/zinc/12/01/60/619120160.db2.gz PQFKNIHMGLVPMM-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN Oc1cc2c(cc1CN1CCOc3ccccc3C1)OCO2 ZINC000318093791 619131085 /nfs/dbraw/zinc/13/10/85/619131085.db2.gz MWXOGGNKEZBIQB-UHFFFAOYSA-N 0 0 299.326 2.516 20 10 CFCDRN CCc1c[nH]c2ncnc(NCc3ccc(OC)cc3O)c12 ZINC000893638263 619135217 /nfs/dbraw/zinc/13/52/17/619135217.db2.gz DMRLVYIAGMQALQ-UHFFFAOYSA-N 0 0 298.346 2.847 20 10 CFCDRN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000726871451 619266850 /nfs/dbraw/zinc/26/68/50/619266850.db2.gz AGIMRQZGONZYQU-MRXNPFEDSA-N 0 0 298.342 2.987 20 10 CFCDRN C[C@@H](NC(=O)c1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000832430395 625331936 /nfs/dbraw/zinc/33/19/36/625331936.db2.gz CTAIMDSQQQMBPH-CYBMUJFWSA-N 0 0 298.386 2.736 20 10 CFCDRN C[C@@H](NC(=O)Cc1cscn1)c1ccc(N(C)C)cc1 ZINC000832431763 625332202 /nfs/dbraw/zinc/33/22/02/625332202.db2.gz ULJRELPTUHCFID-LLVKDONJSA-N 0 0 289.404 2.629 20 10 CFCDRN CO[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000832437041 625334832 /nfs/dbraw/zinc/33/48/32/625334832.db2.gz WOOOTFXRJAYACN-JGGQBBKZSA-N 0 0 290.407 2.745 20 10 CFCDRN CCOCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000048698886 619373249 /nfs/dbraw/zinc/37/32/49/619373249.db2.gz CTKCAMDCEUTUTJ-UHFFFAOYSA-N 0 0 292.404 2.922 20 10 CFCDRN COc1ccc(N(C)Cc2c[nH]cn2)cc1Cl ZINC000894430049 619382423 /nfs/dbraw/zinc/38/24/23/619382423.db2.gz WPITZQYDIRNHGR-UHFFFAOYSA-N 0 0 251.717 2.708 20 10 CFCDRN O=[N+]([O-])c1c(Sc2nccs2)nc2ccccn21 ZINC000048894088 619481369 /nfs/dbraw/zinc/48/13/69/619481369.db2.gz XPQXYOSRRVJFTJ-UHFFFAOYSA-N 0 0 278.318 2.850 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894902004 619507179 /nfs/dbraw/zinc/50/71/79/619507179.db2.gz IGTTTYFDJQEKTB-ZANVPECISA-N 0 0 271.307 2.527 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000748850237 619510443 /nfs/dbraw/zinc/51/04/43/619510443.db2.gz QKGZDYGNXGNDGS-ZSHCYNCHSA-N 0 0 272.392 2.723 20 10 CFCDRN C[C@@H](F)CCNC(=O)NCc1cccc(Cl)c1O ZINC000895050957 619534925 /nfs/dbraw/zinc/53/49/25/619534925.db2.gz MNTMICDXCRAVCX-MRVPVSSYSA-N 0 0 274.723 2.593 20 10 CFCDRN CC(C)CC[C@](C)(O)CNC(=O)Nc1ccc(N)cc1 ZINC000841300183 619549267 /nfs/dbraw/zinc/54/92/67/619549267.db2.gz MCVOQAKHJAWWQV-HNNXBMFYSA-N 0 0 279.384 2.578 20 10 CFCDRN C[C@H]1CCc2[nH]nc(C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000895754919 619600142 /nfs/dbraw/zinc/60/01/42/619600142.db2.gz AOOGIAYGAADEFY-NSHDSACASA-N 0 0 299.374 2.512 20 10 CFCDRN Cn1ccc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000896491822 619745149 /nfs/dbraw/zinc/74/51/49/619745149.db2.gz BMZHHCSIAYBIPK-CYBMUJFWSA-N 0 0 271.364 2.505 20 10 CFCDRN Oc1ccc(F)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000896600396 619772054 /nfs/dbraw/zinc/77/20/54/619772054.db2.gz WYBHYHMJCWJZJY-CQSZACIVSA-N 0 0 273.311 2.562 20 10 CFCDRN CC[C@@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896636218 619779326 /nfs/dbraw/zinc/77/93/26/619779326.db2.gz AOEZAGPMZPOESJ-VXGBXAGGSA-N 0 0 267.344 2.826 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2F)[C@@H]1C ZINC000896636670 619779883 /nfs/dbraw/zinc/77/98/83/619779883.db2.gz FABZYXUFIGJLMJ-UHIISALHSA-N 0 0 295.354 2.599 20 10 CFCDRN C[C@@H](CC1CCOCC1)[NH2+]Cc1c([O-])cccc1F ZINC000896636824 619779887 /nfs/dbraw/zinc/77/98/87/619779887.db2.gz HZAWBXSDEUFEQC-NSHDSACASA-N 0 0 267.344 2.826 20 10 CFCDRN C[C@H](CC1CCOCC1)[NH2+]Cc1c([O-])cccc1F ZINC000896636823 619779945 /nfs/dbraw/zinc/77/99/45/619779945.db2.gz HZAWBXSDEUFEQC-LLVKDONJSA-N 0 0 267.344 2.826 20 10 CFCDRN CCc1onc(C)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896638151 619780272 /nfs/dbraw/zinc/78/02/72/619780272.db2.gz IJUQCAQMLHIMGL-UHFFFAOYSA-N 0 0 264.300 2.680 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000896637637 619780685 /nfs/dbraw/zinc/78/06/85/619780685.db2.gz KVNWZBYAOVPWNQ-QPUJVOFHSA-N 0 0 293.260 2.731 20 10 CFCDRN CCOc1cccc(C[NH2+]Cc2c([O-])cccc2F)n1 ZINC000896639307 619781020 /nfs/dbraw/zinc/78/10/20/619781020.db2.gz DCOINXJKADBVDP-UHFFFAOYSA-N 0 0 276.311 2.615 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(C(F)F)C1 ZINC000897014581 619913167 /nfs/dbraw/zinc/91/31/67/619913167.db2.gz MXGQHMXRJOPNFK-UHFFFAOYSA-N 0 0 299.298 2.650 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)ccc(F)c1F ZINC000897082931 619926521 /nfs/dbraw/zinc/92/65/21/619926521.db2.gz YIDOTTQSFLKJQS-SWLSCSKDSA-N 0 0 297.345 2.965 20 10 CFCDRN CC(C)(C)C1CC(NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841910229 619940122 /nfs/dbraw/zinc/94/01/22/619940122.db2.gz MLQKJCLEZPBMQA-UHFFFAOYSA-N 0 0 289.423 2.935 20 10 CFCDRN COC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000897221742 619953236 /nfs/dbraw/zinc/95/32/36/619953236.db2.gz ONXFJSUTIFQVNJ-NSHDSACASA-N 0 0 273.323 2.679 20 10 CFCDRN CC[C@@H](CNC(=O)C1=CC(=O)CS1)C(=O)OC(C)(C)C ZINC000928683754 619973939 /nfs/dbraw/zinc/97/39/39/619973939.db2.gz CJZJUWWHASFNAJ-VIFPVBQESA-N 0 0 299.392 2.551 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2)c1 ZINC000728984381 620048258 /nfs/dbraw/zinc/04/82/58/620048258.db2.gz PBFLJVVMEQGHLN-LLVKDONJSA-N 0 0 271.316 2.892 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccoc2C)SC1=S ZINC000840731220 620075336 /nfs/dbraw/zinc/07/53/36/620075336.db2.gz WNYGFJCHGTXWPU-TWGQIWQCSA-N 0 0 253.348 2.809 20 10 CFCDRN CC[C@@H](C)CN(CC)C(=O)NCCc1ccc(N)cc1 ZINC000841957386 620102132 /nfs/dbraw/zinc/10/21/32/620102132.db2.gz IUCNJVIYPWJGSH-CYBMUJFWSA-N 0 0 277.412 2.889 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)cn2)cc1OC ZINC000799116109 620105407 /nfs/dbraw/zinc/10/54/07/620105407.db2.gz CDPIWYVGFSXPIA-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN CC(C)C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840997175 620114058 /nfs/dbraw/zinc/11/40/58/620114058.db2.gz KJVKCZXWLJYPSM-JFDDCEBESA-N 0 0 290.407 2.855 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997418 620114782 /nfs/dbraw/zinc/11/47/82/620114782.db2.gz HDBMKAXXAKWKPU-INIZCTEOSA-N 0 0 290.407 2.972 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCOC1 ZINC000179202342 620214933 /nfs/dbraw/zinc/21/49/33/620214933.db2.gz HQYLUAZEFKKPEZ-LBPRGKRZSA-N 0 0 290.388 2.674 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841753895 620236499 /nfs/dbraw/zinc/23/64/99/620236499.db2.gz XRLIYKVPIHXWMA-HJIKLVIJSA-N 0 0 269.772 2.856 20 10 CFCDRN C[C@@]1(C[NH3+])CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000311014291 620243624 /nfs/dbraw/zinc/24/36/24/620243624.db2.gz MMOIXFYMGYQSKY-ZDUSSCGKSA-N 0 0 289.206 2.870 20 10 CFCDRN CCC[C@@H](NCc1ccc2ccccc2c1O)C(=O)OC ZINC000897833861 620291274 /nfs/dbraw/zinc/29/12/74/620291274.db2.gz ASKWUBXBQAJQRQ-OAHLLOKOSA-N 0 0 287.359 2.977 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cncs1 ZINC000897929849 620305489 /nfs/dbraw/zinc/30/54/89/620305489.db2.gz BZHPRMQDHDNPEO-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN Oc1ccccc1C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167434 620342132 /nfs/dbraw/zinc/34/21/32/620342132.db2.gz DNGLDFPPAKSEAP-HNNXBMFYSA-N 0 0 295.386 2.772 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000110408783 620381658 /nfs/dbraw/zinc/38/16/58/620381658.db2.gz AQLVXDOMVSFFCL-CQSZACIVSA-N 0 0 270.357 2.924 20 10 CFCDRN CC[C@](C)(C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000322959229 620395023 /nfs/dbraw/zinc/39/50/23/620395023.db2.gz UGZBIJIHCQOVRR-IINYFYTJSA-N 0 0 255.333 2.997 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000927020365 620440554 /nfs/dbraw/zinc/44/05/54/620440554.db2.gz XKMWJZYABISFDV-ONGXEEELSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000898892005 620501402 /nfs/dbraw/zinc/50/14/02/620501402.db2.gz JHSITUHSVPPRPU-TZMCWYRMSA-N 0 0 274.364 2.888 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NC/C=C\Cl)cc1 ZINC000899057407 620518073 /nfs/dbraw/zinc/51/80/73/620518073.db2.gz MLRCPLFPHDQAMB-WTKPLQERSA-N 0 0 281.787 2.647 20 10 CFCDRN COc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000901703572 620889574 /nfs/dbraw/zinc/88/95/74/620889574.db2.gz IVJXWIYALSPHBM-UHFFFAOYSA-N 0 0 283.349 2.600 20 10 CFCDRN CCn1cnc2c1CCN(Cc1cc(C)cc(C)c1O)C2 ZINC000902551947 621125905 /nfs/dbraw/zinc/12/59/05/621125905.db2.gz YSXOUJBUDGPORB-UHFFFAOYSA-N 0 0 285.391 2.784 20 10 CFCDRN CC(C)[C@@H](N[C@H](C)c1c(O)cccc1F)c1nncn1C ZINC000903063727 621238359 /nfs/dbraw/zinc/23/83/59/621238359.db2.gz HKXOIKKULQGKEI-QMTHXVAHSA-N 0 0 292.358 2.708 20 10 CFCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000903066766 621239144 /nfs/dbraw/zinc/23/91/44/621239144.db2.gz XDTPZRUATWKFSX-IINYFYTJSA-N 0 0 292.358 2.708 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccc(F)cc1[O-] ZINC000903390160 621360410 /nfs/dbraw/zinc/36/04/10/621360410.db2.gz ZGFFUQWFPXAEQA-ZIAGYGMSSA-N 0 0 294.370 2.583 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1c([O-])cccc1F ZINC000903403930 621369508 /nfs/dbraw/zinc/36/95/08/621369508.db2.gz WCHRAISGGYOMLQ-GFCCVEGCSA-N 0 0 289.350 2.917 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903436111 621374185 /nfs/dbraw/zinc/37/41/85/621374185.db2.gz GXLKRTLXZPUCNB-PELMWDNLSA-N 0 0 283.318 2.746 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429892 621594892 /nfs/dbraw/zinc/59/48/92/621594892.db2.gz AZXONCDDHIKNMM-HNNXBMFYSA-N 0 0 298.789 2.903 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](c2ccncc2)C2CC2)cc1 ZINC000904499212 621604685 /nfs/dbraw/zinc/60/46/85/621604685.db2.gz CVQRWESRLBCCIC-HNNXBMFYSA-N 0 0 282.347 2.937 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C3CC3)CCC2)cc1 ZINC000905317146 621740171 /nfs/dbraw/zinc/74/01/71/621740171.db2.gz HICVFSFQOPOKAB-UHFFFAOYSA-N 0 0 272.392 2.949 20 10 CFCDRN CC(C)c1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905406458 621760513 /nfs/dbraw/zinc/76/05/13/621760513.db2.gz WFRXRABDVSCYJJ-UHFFFAOYSA-N 0 0 269.251 2.789 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(C3CCC3)o2)c1 ZINC000905427495 621769343 /nfs/dbraw/zinc/76/93/43/621769343.db2.gz CLKKLYFFVUQJFT-UHFFFAOYSA-N 0 0 259.309 2.963 20 10 CFCDRN CCC(C)(C)NC(=S)NCc1c(O)cccc1F ZINC000905662109 621812074 /nfs/dbraw/zinc/81/20/74/621812074.db2.gz SBXBNSIDHTZBTK-UHFFFAOYSA-N 0 0 270.373 2.684 20 10 CFCDRN Cc1ccoc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000832807394 625523208 /nfs/dbraw/zinc/52/32/08/625523208.db2.gz ZAJQFQDQUMYEKD-UHFFFAOYSA-N 0 0 251.307 2.627 20 10 CFCDRN C[C@@H](NCc1cn(C2CC2)nn1)c1ccc(N(C)C)cc1 ZINC000906297427 621971041 /nfs/dbraw/zinc/97/10/41/621971041.db2.gz SPLVIARVIWUXTJ-GFCCVEGCSA-N 0 0 285.395 2.530 20 10 CFCDRN COC(=O)COc1ccc(N(C)[C@@H]2C=CCCC2)cc1 ZINC000183793631 625541136 /nfs/dbraw/zinc/54/11/36/625541136.db2.gz AKLJNEDNUDJAJP-CYBMUJFWSA-N 0 0 275.348 2.783 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cnccn1 ZINC000907491745 622131749 /nfs/dbraw/zinc/13/17/49/622131749.db2.gz GBMMJKYMKQLNDX-OLZOCXBDSA-N 0 0 298.390 2.524 20 10 CFCDRN CC[C@H](C)CS(=O)(=O)NCc1cccc(Cl)c1O ZINC000908330496 622216266 /nfs/dbraw/zinc/21/62/66/622216266.db2.gz ZROBIYOIBRTEPD-VIFPVBQESA-N 0 0 291.800 2.511 20 10 CFCDRN CC(C)(C)CCC(=O)NCc1ccc(O)cc1O ZINC000910951598 622489192 /nfs/dbraw/zinc/48/91/92/622489192.db2.gz URCMXPHCDWEACJ-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)CCCC2 ZINC000910953518 622489252 /nfs/dbraw/zinc/48/92/52/622489252.db2.gz CMYUUASYWUCKIY-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN CC(C)c1ncc(C(=O)NCc2ccc(O)cc2O)s1 ZINC000910950301 622489307 /nfs/dbraw/zinc/48/93/07/622489307.db2.gz WBRPDZNMAQGANM-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C(F)=C1CCCC1 ZINC000910951224 622489369 /nfs/dbraw/zinc/48/93/69/622489369.db2.gz PGUAGIQEETZCSZ-UHFFFAOYSA-N 0 0 265.284 2.512 20 10 CFCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944155 622491237 /nfs/dbraw/zinc/49/12/37/622491237.db2.gz LRZGZRQSCQTSOK-GXFFZTMASA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910943373 622491244 /nfs/dbraw/zinc/49/12/44/622491244.db2.gz BALBXMFWMODJEG-BONVTDFDSA-N 0 0 263.337 2.540 20 10 CFCDRN CC1(CC(=O)NCc2ccc(O)cc2O)CCCC1 ZINC000910946736 622492406 /nfs/dbraw/zinc/49/24/06/622492406.db2.gz SOZIJGPQBFAKEQ-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN Cn1cc(C(=O)Nc2ccc(N)cc2)c(C2CCCC2)n1 ZINC000911660937 622531711 /nfs/dbraw/zinc/53/17/11/622531711.db2.gz PMUXXXWXZATXJC-UHFFFAOYSA-N 0 0 284.363 2.912 20 10 CFCDRN Nc1ccc(NC(=O)c2cc(=O)[nH]c3c2CCCC3)cc1 ZINC000911660275 622531735 /nfs/dbraw/zinc/53/17/35/622531735.db2.gz JMQCNCUOGWWBPX-UHFFFAOYSA-N 0 0 283.331 2.501 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000819761535 622550813 /nfs/dbraw/zinc/55/08/13/622550813.db2.gz UEAUJTFDSOVYST-YABSGUDNSA-N 0 0 280.364 2.540 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000911783265 622551097 /nfs/dbraw/zinc/55/10/97/622551097.db2.gz SPMOPRRCKIRNGJ-QKDCVEJESA-N 0 0 272.392 2.754 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3nccnc3C)C2)cc1 ZINC000819935708 622576792 /nfs/dbraw/zinc/57/67/92/622576792.db2.gz TVZANEMAKONMGO-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN Cc1cc(C(=O)OCCO)c(C)n1-c1ccccc1C ZINC000912445484 622717275 /nfs/dbraw/zinc/71/72/75/622717275.db2.gz LAOPKSCPUKRALC-UHFFFAOYSA-N 0 0 273.332 2.552 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)c2cccn2C)cc1 ZINC000150733803 622719053 /nfs/dbraw/zinc/71/90/53/622719053.db2.gz DKFCXTVMEXCQHN-UHFFFAOYSA-N 0 0 272.348 2.743 20 10 CFCDRN CCC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820655613 622729144 /nfs/dbraw/zinc/72/91/44/622729144.db2.gz LGJSBPPGAFXKKJ-UHFFFAOYSA-N 0 0 274.324 2.769 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C(C)=O)no2)c(OC)c1 ZINC000821397094 622913406 /nfs/dbraw/zinc/91/34/06/622913406.db2.gz ZBCSCCDJOLTINP-UHFFFAOYSA-N 0 0 290.319 2.531 20 10 CFCDRN COc1ccc(N(C)Cc2ccc3nonc3c2)c(OC)c1 ZINC000821396051 622913411 /nfs/dbraw/zinc/91/34/11/622913411.db2.gz FZVACJBMQPEMIA-UHFFFAOYSA-N 0 0 299.330 2.876 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2(C)CCCCC2)c1 ZINC000156406453 622939381 /nfs/dbraw/zinc/93/93/81/622939381.db2.gz UPAOGZJSCYFLGL-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC3(CC3)C2)cc1 ZINC000822037523 623021387 /nfs/dbraw/zinc/02/13/87/623021387.db2.gz JODNPPYKKHRZJV-UHFFFAOYSA-N 0 0 286.335 2.865 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1 ZINC000045827021 623028990 /nfs/dbraw/zinc/02/89/90/623028990.db2.gz PSPBUKBHDJGEAQ-UHFFFAOYSA-N 0 0 270.332 2.734 20 10 CFCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC(C)(C)O1 ZINC000226431049 623074309 /nfs/dbraw/zinc/07/43/09/623074309.db2.gz ATDLIHPCVMUGSA-UHFFFAOYSA-N 0 0 277.368 2.690 20 10 CFCDRN C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000227632723 623114933 /nfs/dbraw/zinc/11/49/33/623114933.db2.gz JQZONJKDFZSXDJ-ZBOXLXRLSA-N 0 0 267.344 2.733 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CCC(O)CC1 ZINC000227649071 623115431 /nfs/dbraw/zinc/11/54/31/623115431.db2.gz YWAAALDFUFXYEP-UHFFFAOYSA-N 0 0 269.772 2.686 20 10 CFCDRN Cc1ccc(C(=O)OCc2cccc(F)c2)c(O)c1O ZINC000060343459 623124853 /nfs/dbraw/zinc/12/48/53/623124853.db2.gz VBWKFWXHHUNYAT-UHFFFAOYSA-N 0 0 276.263 2.902 20 10 CFCDRN COc1ccc(N(C)C[C@@H](OC)C2CC2)c(OC)c1 ZINC000822774841 623172707 /nfs/dbraw/zinc/17/27/07/623172707.db2.gz KDDRKOVTLNQYNS-OAHLLOKOSA-N 0 0 265.353 2.565 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc3cccnc3c2O)C=CCC1 ZINC000823180883 623255014 /nfs/dbraw/zinc/25/50/14/623255014.db2.gz HPSQGLLAWKWPAS-KRWDZBQOSA-N 0 0 282.343 2.913 20 10 CFCDRN CCCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000062574823 623280739 /nfs/dbraw/zinc/28/07/39/623280739.db2.gz SJGVRGDOADBZFT-CQSZACIVSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C(=O)OCCF)c(C)n1-c1ccccn1 ZINC000172669403 623297395 /nfs/dbraw/zinc/29/73/95/623297395.db2.gz HRRCPJJSSSREPP-UHFFFAOYSA-N 0 0 262.284 2.615 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000173580590 623358578 /nfs/dbraw/zinc/35/85/78/623358578.db2.gz VQAVLYCSYOLNBX-NEPJUHHUSA-N 0 0 277.364 2.843 20 10 CFCDRN CCON(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840481749 623379862 /nfs/dbraw/zinc/37/98/62/623379862.db2.gz MUWQHZPLCKPDHF-CYBMUJFWSA-N 0 0 293.411 2.585 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCC1 ZINC000840482763 623399325 /nfs/dbraw/zinc/39/93/25/623399325.db2.gz ASLZGJKUWBFHBY-AWEZNQCLSA-N 0 0 289.423 2.797 20 10 CFCDRN CCON(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC000824041654 623439754 /nfs/dbraw/zinc/43/97/54/623439754.db2.gz NSDWWZJYKYJYOT-UHFFFAOYSA-N 0 0 278.312 2.651 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000824597626 623529560 /nfs/dbraw/zinc/52/95/60/623529560.db2.gz VYVYONGBVDOOBB-UHFFFAOYSA-N 0 0 271.719 2.621 20 10 CFCDRN CCCN(CC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000824611203 623532334 /nfs/dbraw/zinc/53/23/34/623532334.db2.gz XIDHNUATQSCDPZ-UHFFFAOYSA-N 0 0 267.272 2.868 20 10 CFCDRN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824626418 623534311 /nfs/dbraw/zinc/53/43/11/623534311.db2.gz ZFAVHZXUGDJGGH-LLVKDONJSA-N 0 0 273.735 2.842 20 10 CFCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635844 623536401 /nfs/dbraw/zinc/53/64/01/623536401.db2.gz JOKVYNOXXBRARW-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637177 623537717 /nfs/dbraw/zinc/53/77/17/623537717.db2.gz WMYHPICHFNNORV-DGCLKSJQSA-N 0 0 269.772 2.638 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(CF)CCOCC1 ZINC000824690635 623545491 /nfs/dbraw/zinc/54/54/91/623545491.db2.gz JSLCDCNKODNIGB-UHFFFAOYSA-N 0 0 273.735 2.654 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690933 623545570 /nfs/dbraw/zinc/54/55/70/623545570.db2.gz PUFMEJHYMHWYRW-UHFFFAOYSA-N 0 0 291.725 2.793 20 10 CFCDRN CNc1nc(C)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000913763747 623581555 /nfs/dbraw/zinc/58/15/55/623581555.db2.gz QJXWKJRQFMWPAS-NSHDSACASA-N 0 0 285.347 2.628 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CC=CC2)cc1 ZINC000824877006 623583220 /nfs/dbraw/zinc/58/32/20/623583220.db2.gz YOBXULSBHPRLKH-UHFFFAOYSA-N 0 0 272.308 2.545 20 10 CFCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824902415 623585083 /nfs/dbraw/zinc/58/50/83/623585083.db2.gz WFJBUADULXADLA-OAHLLOKOSA-N 0 0 297.782 2.739 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N(C2CC2)C2CC2)cc1 ZINC000824923379 623589611 /nfs/dbraw/zinc/58/96/11/623589611.db2.gz HTDPQOQRPYXTHF-UHFFFAOYSA-N 0 0 272.308 2.616 20 10 CFCDRN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825046103 623615746 /nfs/dbraw/zinc/61/57/46/623615746.db2.gz QRDCBSIKGYBONO-VIFPVBQESA-N 0 0 297.761 2.639 20 10 CFCDRN CCc1nocc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000834409631 625663757 /nfs/dbraw/zinc/66/37/57/625663757.db2.gz XRLQZCQNYQUNPC-WQLSENKSSA-N 0 0 291.376 2.693 20 10 CFCDRN CC1(C)COC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825098763 623628277 /nfs/dbraw/zinc/62/82/77/623628277.db2.gz NTZJYUOHZMSVFL-LLVKDONJSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@@H](O)CN(Cc1ccc2ccccc2c1O)CC(F)F ZINC000825103798 623631304 /nfs/dbraw/zinc/63/13/04/623631304.db2.gz IIPZFPFTGOFQPQ-LLVKDONJSA-N 0 0 295.329 2.993 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@]23C[C@H]2CCCC3)cc1 ZINC000825250454 623658963 /nfs/dbraw/zinc/65/89/63/623658963.db2.gz LMNNJXRNBZJJEV-IAQYHMDHSA-N 0 0 286.335 2.912 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338288 623676579 /nfs/dbraw/zinc/67/65/79/623676579.db2.gz NYQLZXZIXDVVBE-LLVKDONJSA-N 0 0 269.772 2.640 20 10 CFCDRN C[C@H]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825529266 623709581 /nfs/dbraw/zinc/70/95/81/623709581.db2.gz FIBCLSAANKCPGX-VHSXEESVSA-N 0 0 281.327 2.793 20 10 CFCDRN COc1nn(C)cc1NCc1cc(Cl)c(C)cc1O ZINC000825671919 623736281 /nfs/dbraw/zinc/73/62/81/623736281.db2.gz TVIGVXBYEOYAQK-UHFFFAOYSA-N 0 0 281.743 2.708 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)C[C@H](O)C2CC2)cc1Cl ZINC000825928074 623770299 /nfs/dbraw/zinc/77/02/99/623770299.db2.gz LYJGZQNEEJQOQG-AWEZNQCLSA-N 0 0 269.772 2.557 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000914366234 623774081 /nfs/dbraw/zinc/77/40/81/623774081.db2.gz MCJNIHWNKJKZPG-NXEZZACHSA-N 0 0 268.332 2.765 20 10 CFCDRN C[C@H]1CC(NC(=O)c2c(F)ccc(O)c2O)C[C@H](C)C1 ZINC000826000963 623780191 /nfs/dbraw/zinc/78/01/91/623780191.db2.gz HRLJIAZKSFUCAL-RKDXNWHRSA-N 0 0 281.327 2.791 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C(C)C)C2COC2)cc1Cl ZINC000826030201 623784833 /nfs/dbraw/zinc/78/48/33/623784833.db2.gz SDFPJZXPVOUHSN-UHFFFAOYSA-N 0 0 269.772 2.963 20 10 CFCDRN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826030206 623784926 /nfs/dbraw/zinc/78/49/26/623784926.db2.gz SGKSHZPNKAQAIA-LLVKDONJSA-N 0 0 257.761 2.557 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC1(F)F ZINC000826137454 623796392 /nfs/dbraw/zinc/79/63/92/623796392.db2.gz RVKUMUOMVOOZBT-GFCCVEGCSA-N 0 0 281.302 2.542 20 10 CFCDRN CC(C(=O)N1CCOc2cc(N(C)C)ccc21)=C1CCC1 ZINC000826658426 623832282 /nfs/dbraw/zinc/83/22/82/623832282.db2.gz VZXLBMQELQAXCP-UHFFFAOYSA-N 0 0 286.375 2.978 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C)Cc2c[nH]cn2)cc1 ZINC000826768555 623870122 /nfs/dbraw/zinc/87/01/22/623870122.db2.gz CKYCXIYBVCTZLO-SNAWJCMRSA-N 0 0 270.380 2.621 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCCc3cc(F)ccc32)cn1 ZINC000914742805 623931707 /nfs/dbraw/zinc/93/17/07/623931707.db2.gz NEMMDLIKIDIRFH-DAXSKMNVSA-N 0 0 285.322 2.552 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C[C@H]1C ZINC000827084898 623937777 /nfs/dbraw/zinc/93/77/77/623937777.db2.gz FHHZPZMPGDTOCF-YRGRVCCFSA-N 0 0 291.391 2.829 20 10 CFCDRN c1csc(Sc2ncn(-c3ccccc3)n2)n1 ZINC000914862522 623952133 /nfs/dbraw/zinc/95/21/33/623952133.db2.gz JFOGLMBLUMESFB-UHFFFAOYSA-N 0 0 260.347 2.875 20 10 CFCDRN C[C@H]1C[NH+](Cc2c([O-])ccc(Cl)c2F)C[C@H](C)C1O ZINC000827151407 623954143 /nfs/dbraw/zinc/95/41/43/623954143.db2.gz AGXLMAONTFMDEX-IUCAKERBSA-N 0 0 287.762 2.633 20 10 CFCDRN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1=CCCOC1 ZINC000827189780 623961842 /nfs/dbraw/zinc/96/18/42/623961842.db2.gz NYYGVYVQSIXLHJ-UHFFFAOYSA-N 0 0 285.746 2.963 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000827260980 623977004 /nfs/dbraw/zinc/97/70/04/623977004.db2.gz UEKYSSJSWMVYGF-ZDUSSCGKSA-N 0 0 291.297 2.764 20 10 CFCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827317048 623986008 /nfs/dbraw/zinc/98/60/08/623986008.db2.gz MMSYTDASSUFCDJ-BMIGLBTASA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(NCC12CCC(CC1)C2)c1c(F)ccc(O)c1O ZINC000827391076 623997229 /nfs/dbraw/zinc/99/72/29/623997229.db2.gz WMIMPSJNZKWJQE-UHFFFAOYSA-N 0 0 279.311 2.547 20 10 CFCDRN Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc(F)c1[O-] ZINC000827400834 623998105 /nfs/dbraw/zinc/99/81/05/623998105.db2.gz HWVFKDZLSPHAMT-UHFFFAOYSA-N 0 0 289.354 2.822 20 10 CFCDRN Cc1cc(CNC(=O)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000827504614 624019227 /nfs/dbraw/zinc/01/92/27/624019227.db2.gz LSPHILBVYXPXQH-HNNXBMFYSA-N 0 0 298.386 2.747 20 10 CFCDRN COc1cccc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000153670605 624088435 /nfs/dbraw/zinc/08/84/35/624088435.db2.gz JFQJVJAZMJOYSJ-MRXNPFEDSA-N 0 0 298.342 2.906 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC000915680399 624094935 /nfs/dbraw/zinc/09/49/35/624094935.db2.gz KVGHURWHSHMTEJ-UHFFFAOYSA-N 0 0 270.323 2.804 20 10 CFCDRN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827923599 624128774 /nfs/dbraw/zinc/12/87/74/624128774.db2.gz VOUFUSAVHJCJDP-MRVPVSSYSA-N 0 0 293.754 2.579 20 10 CFCDRN C[C@@H](NC(=O)CCc1ccco1)c1ccccc1O ZINC000827923265 624128791 /nfs/dbraw/zinc/12/87/91/624128791.db2.gz NGFPUXHWCAHFNM-LLVKDONJSA-N 0 0 259.305 2.795 20 10 CFCDRN Cc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1 ZINC000827923027 624128886 /nfs/dbraw/zinc/12/88/86/624128886.db2.gz HWROHNFTYANBMG-MRVPVSSYSA-N 0 0 276.361 2.957 20 10 CFCDRN Cc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC000827923086 624128896 /nfs/dbraw/zinc/12/88/96/624128896.db2.gz JHHPMGPKARPKBM-SECBINFHSA-N 0 0 276.361 2.577 20 10 CFCDRN COCc1cccc(CC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827940345 624132691 /nfs/dbraw/zinc/13/26/91/624132691.db2.gz BEJRBPWWPKPMDW-CYBMUJFWSA-N 0 0 299.370 2.959 20 10 CFCDRN CCc1cccnc1C(=O)N[C@H](C)c1ccccc1O ZINC000827941659 624133585 /nfs/dbraw/zinc/13/35/85/624133585.db2.gz VBXNPBIVUZWASP-LLVKDONJSA-N 0 0 270.332 2.841 20 10 CFCDRN CC[C@@H](SC)C(=O)N[C@H](C)c1ccccc1O ZINC000827941490 624133776 /nfs/dbraw/zinc/13/37/76/624133776.db2.gz SNKHWHIYEHBNPL-BXKDBHETSA-N 0 0 253.367 2.711 20 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WNHGQFOYKCGKRG-WOPDTQHZSA-N 0 0 275.348 2.575 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1ccccc1O ZINC000827973826 624144192 /nfs/dbraw/zinc/14/41/92/624144192.db2.gz ZFQIDVXXLNITAU-NTZNESFSSA-N 0 0 275.348 2.575 20 10 CFCDRN C[C@H](NC(=O)COC1(C)CCC1)c1ccccc1O ZINC000827972874 624144256 /nfs/dbraw/zinc/14/42/56/624144256.db2.gz BTQYYMJHKFHCQH-NSHDSACASA-N 0 0 263.337 2.529 20 10 CFCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2O)on1 ZINC000827978497 624145339 /nfs/dbraw/zinc/14/53/39/624145339.db2.gz VSHBWDRLVBAYPB-JTQLQIEISA-N 0 0 274.320 2.995 20 10 CFCDRN C[C@H](NC(=O)CCc1ccncc1)c1ccccc1O ZINC000827981925 624145937 /nfs/dbraw/zinc/14/59/37/624145937.db2.gz HTQHILPNZUVKOI-LBPRGKRZSA-N 0 0 270.332 2.597 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)c(C)[nH]1 ZINC000827982236 624145985 /nfs/dbraw/zinc/14/59/85/624145985.db2.gz OXZVGMOPBHGOCM-JTQLQIEISA-N 0 0 258.321 2.828 20 10 CFCDRN C[C@H](O)CCN1CCCc2cc(OC(F)F)ccc21 ZINC000828154027 624188172 /nfs/dbraw/zinc/18/81/72/624188172.db2.gz 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DHCQWVOAMIIGNL-UHFFFAOYSA-N 0 0 286.335 2.692 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000828885163 624321112 /nfs/dbraw/zinc/32/11/12/624321112.db2.gz WXJFAJLRTBUCAM-VZZFWQQMSA-N 0 0 289.375 2.581 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCc3sccc3C2)cc1 ZINC000828910174 624328714 /nfs/dbraw/zinc/32/87/14/624328714.db2.gz GPADTUGUEKVDCZ-UHFFFAOYSA-N 0 0 286.400 2.848 20 10 CFCDRN Cc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1C ZINC000917355853 624335680 /nfs/dbraw/zinc/33/56/80/624335680.db2.gz KQOJOMUEGFYDML-UHFFFAOYSA-N 0 0 299.370 2.616 20 10 CFCDRN O=C1N[C@H](c2cc(F)ccc2O)Nc2cc(F)ccc21 ZINC000917503076 624348062 /nfs/dbraw/zinc/34/80/62/624348062.db2.gz YRKBOKLVXHFGPT-CYBMUJFWSA-N 0 0 276.242 2.525 20 10 CFCDRN COC(=O)c1cnc(SCCc2ccns2)s1 ZINC000917777274 624383076 /nfs/dbraw/zinc/38/30/76/624383076.db2.gz BQQAEUKOYYANRC-UHFFFAOYSA-N 0 0 286.403 2.721 20 10 CFCDRN COC[C@@H](CSc1ncc(C(=O)OC)s1)C(C)C ZINC000917777301 624383303 /nfs/dbraw/zinc/38/33/03/624383303.db2.gz 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0 0 287.359 2.806 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033096 624954609 /nfs/dbraw/zinc/95/46/09/624954609.db2.gz OPGYEFBDQPTMIG-SMDDNHRTSA-N 0 0 277.364 2.843 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033094 624954781 /nfs/dbraw/zinc/95/47/81/624954781.db2.gz OPGYEFBDQPTMIG-FZMZJTMJSA-N 0 0 277.364 2.843 20 10 CFCDRN O=C(NCCC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000175641026 624959542 /nfs/dbraw/zinc/95/95/42/624959542.db2.gz PUZXQPUNSCFBKR-UHFFFAOYSA-N 0 0 287.407 2.886 20 10 CFCDRN C[C@H]1CCC[C@H](OCC(=O)NCCc2ccc(N)cc2)C1 ZINC000237543592 624961510 /nfs/dbraw/zinc/96/15/10/624961510.db2.gz GKKFASWOVCCYCZ-BBRMVZONSA-N 0 0 290.407 2.523 20 10 CFCDRN CN(CCC(C)(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000831177926 624968816 /nfs/dbraw/zinc/96/88/16/624968816.db2.gz GCDLAMBMRHPGNA-UHFFFAOYSA-N 0 0 277.412 2.889 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@@H](C)C2)cc1F ZINC000179862908 624982194 /nfs/dbraw/zinc/98/21/94/624982194.db2.gz RZLDPNYKIXBXSK-ZDUSSCGKSA-N 0 0 280.387 2.893 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccccc2-n2cccn2)cc1 ZINC000237918729 624987977 /nfs/dbraw/zinc/98/79/77/624987977.db2.gz VCGQTEZSDVQPEF-UHFFFAOYSA-N 0 0 292.342 2.636 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(CNC(N)=O)cc2)cc1C ZINC000180047117 624991066 /nfs/dbraw/zinc/99/10/66/624991066.db2.gz WOBFNBLHKFKLQY-UHFFFAOYSA-N 0 0 299.374 2.789 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCc1ccc(O)cc1 ZINC000180162772 625001527 /nfs/dbraw/zinc/00/15/27/625001527.db2.gz ZAUJMTZZYWLEBQ-UHFFFAOYSA-N 0 0 285.343 2.689 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 ZINC000831422106 625016571 /nfs/dbraw/zinc/01/65/71/625016571.db2.gz UUIIRLXJMFMRBG-NZSAHSFTSA-N 0 0 292.382 2.656 20 10 CFCDRN Nc1ccc(CC(=O)Nc2scnc2C2CC2)cc1 ZINC000831481743 625033910 /nfs/dbraw/zinc/03/39/10/625033910.db2.gz UJBJKCQFLISDKX-UHFFFAOYSA-N 0 0 273.361 2.784 20 10 CFCDRN Cc1cccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180729996 625036075 /nfs/dbraw/zinc/03/60/75/625036075.db2.gz WTCLVXSEFZAMQE-SOFGYWHQSA-N 0 0 297.354 2.778 20 10 CFCDRN CN(Cc1ccc(C#N)s1)c1ccc2c(c1)OCO2 ZINC000180759280 625038002 /nfs/dbraw/zinc/03/80/02/625038002.db2.gz IWCVUYKAZNUGPO-UHFFFAOYSA-N 0 0 272.329 2.985 20 10 CFCDRN CC(C)C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000831527790 625043121 /nfs/dbraw/zinc/04/31/21/625043121.db2.gz IENKDCDPIPQLJD-CVEARBPZSA-N 0 0 290.407 2.521 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)(C)C)CC2CC2)cc1 ZINC000831583467 625059753 /nfs/dbraw/zinc/05/97/53/625059753.db2.gz YRZYYFMHOBYUPC-UHFFFAOYSA-N 0 0 290.407 2.826 20 10 CFCDRN CCc1nnc(CN(CC2CC2)c2ccc(OC)cc2)[nH]1 ZINC000831587506 625061228 /nfs/dbraw/zinc/06/12/28/625061228.db2.gz BYRJZDWRXMJNQI-UHFFFAOYSA-N 0 0 286.379 2.792 20 10 CFCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O ZINC000181241636 625085549 /nfs/dbraw/zinc/08/55/49/625085549.db2.gz ZSCYASOYUKSJRV-XVNBXDOJSA-N 0 0 285.299 2.764 20 10 CFCDRN CN(C(=O)CC[C@H]1CCCCO1)c1ccc(N)cc1 ZINC000069384012 625097776 /nfs/dbraw/zinc/09/77/76/625097776.db2.gz OHHPEOJJYVXPOO-CQSZACIVSA-N 0 0 262.353 2.581 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)c(O)c1O ZINC000181823696 625221266 /nfs/dbraw/zinc/22/12/66/625221266.db2.gz IRWJWISSYSHABL-UHFFFAOYSA-N 0 0 279.242 2.937 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000069950699 625249776 /nfs/dbraw/zinc/24/97/76/625249776.db2.gz MMMXFKRZKGUGQY-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN O=C(NC1(c2cccc(F)c2)CC1)c1cccc(O)c1O ZINC000185711889 625765228 /nfs/dbraw/zinc/76/52/28/625765228.db2.gz OLPJSVJJMNOLSI-UHFFFAOYSA-N 0 0 287.290 2.656 20 10 CFCDRN Cc1cc(NC(=O)c2cccc(O)c2O)cnc1Cl ZINC000185782279 625776709 /nfs/dbraw/zinc/77/67/09/625776709.db2.gz CUKHMZMMAOFZFY-UHFFFAOYSA-N 0 0 278.695 2.707 20 10 CFCDRN CCS[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185798056 625779236 /nfs/dbraw/zinc/77/92/36/625779236.db2.gz WLPHHOVLWGRJEG-WDEREUQCSA-N 0 0 295.404 2.892 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCC(F)(F)C1 ZINC000921510606 625839213 /nfs/dbraw/zinc/83/92/13/625839213.db2.gz YZTKNEGYNODCQM-QMMMGPOBSA-N 0 0 288.269 2.518 20 10 CFCDRN CCN(CC)c1ccc(CNc2cncnc2)cc1 ZINC000083416932 625844712 /nfs/dbraw/zinc/84/47/12/625844712.db2.gz KDZUMPCZGCZQAW-UHFFFAOYSA-N 0 0 256.353 2.935 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)cc1[O-] ZINC000834831932 625891340 /nfs/dbraw/zinc/89/13/40/625891340.db2.gz LTTHTTJJTDVCKI-CHWSQXEVSA-N 0 0 275.327 2.914 20 10 CFCDRN CC[C@](C)(C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000834882562 625908495 /nfs/dbraw/zinc/90/84/95/625908495.db2.gz RPXATEINTANMDP-MEDUHNTESA-N 0 0 295.379 2.645 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834886845 625909834 /nfs/dbraw/zinc/90/98/34/625909834.db2.gz ORRVQFYPZYEBRK-GAJTVXKRSA-N 0 0 280.324 2.519 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000834895309 625912191 /nfs/dbraw/zinc/91/21/91/625912191.db2.gz ASYXNKGRZYNQSC-XHDPSFHLSA-N 0 0 291.370 2.937 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000834895720 625912238 /nfs/dbraw/zinc/91/22/38/625912238.db2.gz CWPXDOJSKGSBOJ-RBZYPMLTSA-N 0 0 285.334 2.872 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cccc(Cl)c1[O-] ZINC000834901678 625915132 /nfs/dbraw/zinc/91/51/32/625915132.db2.gz XVDLQFFDCIEHKU-SKDRFNHKSA-N 0 0 284.787 2.611 20 10 CFCDRN CCc1nc(CN[C@H](C)c2ccc(F)cc2O)co1 ZINC000834900977 625915143 /nfs/dbraw/zinc/91/51/43/625915143.db2.gz YCQWQWMOPDCQCD-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000834904116 625917484 /nfs/dbraw/zinc/91/74/84/625917484.db2.gz NBFGYSYJJPQXND-BFHYXJOUSA-N 0 0 299.798 2.890 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCCc1ccc(N)cc1 ZINC000851631434 634464251 /nfs/dbraw/zinc/46/42/51/634464251.db2.gz BOISGRGTMMITSU-HNNXBMFYSA-N 0 0 266.360 2.846 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646992 625945816 /nfs/dbraw/zinc/94/58/16/625945816.db2.gz LZLNUDMNPGCOBT-YUMQZZPRSA-N 0 0 270.716 2.794 20 10 CFCDRN O=C(N[C@@H]1CCOC12CCCCC2)C1=CC(=O)CS1 ZINC000888310214 625975371 /nfs/dbraw/zinc/97/53/71/625975371.db2.gz XPYDHMYGXKAPIS-GFCCVEGCSA-N 0 0 281.377 2.675 20 10 CFCDRN Cc1cc(CNCc2c(O)cccc2Cl)no1 ZINC000083552183 625977611 /nfs/dbraw/zinc/97/76/11/625977611.db2.gz NPGLMNDTPAGEGI-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000057614238 626096851 /nfs/dbraw/zinc/09/68/51/626096851.db2.gz WCRSCTMOHOIBJN-UHFFFAOYSA-N 0 0 275.396 2.838 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC000921742221 626103045 /nfs/dbraw/zinc/10/30/45/626103045.db2.gz GBZQLXTXVYENQP-GFCCVEGCSA-N 0 0 291.391 2.831 20 10 CFCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CCC2)ccc1N(C)C ZINC000851706861 634479496 /nfs/dbraw/zinc/47/94/96/634479496.db2.gz KBQOZAUWVVQWCC-UHFFFAOYSA-N 0 0 276.380 2.500 20 10 CFCDRN C[C@@H](CC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000773397413 626154826 /nfs/dbraw/zinc/15/48/26/626154826.db2.gz KXNLVRHIECCUIN-NSHDSACASA-N 0 0 279.380 2.829 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc[nH]2)cc1 ZINC000079712723 626230904 /nfs/dbraw/zinc/23/09/04/626230904.db2.gz PIDJWGCTWOKMDA-UHFFFAOYSA-N 0 0 271.364 2.791 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCC1(F)F ZINC000922489813 626297644 /nfs/dbraw/zinc/29/76/44/626297644.db2.gz LHWBHJQBYIJWKH-LLVKDONJSA-N 0 0 288.269 2.518 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922586408 626318240 /nfs/dbraw/zinc/31/82/40/626318240.db2.gz LYDSWMGCPVWZEN-MRXNPFEDSA-N 0 0 299.330 2.936 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000922880196 626386278 /nfs/dbraw/zinc/38/62/78/626386278.db2.gz HTACTDVYOYWDBJ-AWEZNQCLSA-N 0 0 299.330 2.863 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000922881005 626386657 /nfs/dbraw/zinc/38/66/57/626386657.db2.gz HTACTDVYOYWDBJ-CQSZACIVSA-N 0 0 299.330 2.863 20 10 CFCDRN O=C(NCCC1=CCCCC1)c1cccc(O)c1O ZINC000186740223 626398048 /nfs/dbraw/zinc/39/80/48/626398048.db2.gz IAFBZVIOZDJWQN-UHFFFAOYSA-N 0 0 261.321 2.718 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000187128497 626459706 /nfs/dbraw/zinc/45/97/06/626459706.db2.gz NERXSJSLHIPYPS-GHMZBOCLSA-N 0 0 263.337 2.749 20 10 CFCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(O)c2O)C1 ZINC000187191144 626479179 /nfs/dbraw/zinc/47/91/79/626479179.db2.gz YBHKSRZYKGOLMR-MNOVXSKESA-N 0 0 295.404 2.844 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000838036800 626483951 /nfs/dbraw/zinc/48/39/51/626483951.db2.gz KHKVDNDTQUAVCP-YOFOWSBGSA-N 0 0 275.348 2.662 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2C(C)C)c1 ZINC000838761016 626504822 /nfs/dbraw/zinc/50/48/22/626504822.db2.gz JXMHJFQKCUIJBC-VHRBIJSZSA-N 0 0 292.379 2.806 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2C[C@]2(C)C(C)C)c1O ZINC000838762522 626504969 /nfs/dbraw/zinc/50/49/69/626504969.db2.gz FJERQYIGPIYHJP-XJKSGUPXSA-N 0 0 292.379 2.635 20 10 CFCDRN CCn1nncc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000838888420 626514246 /nfs/dbraw/zinc/51/42/46/626514246.db2.gz GVRVAHOORMHBPQ-UHFFFAOYSA-N 0 0 292.358 2.861 20 10 CFCDRN CCN(CC)c1ccc(CNCc2cnccn2)cc1F ZINC000838944613 626515062 /nfs/dbraw/zinc/51/50/62/626515062.db2.gz SGCGLSSUQOGCQD-UHFFFAOYSA-N 0 0 288.370 2.752 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N(C)c1ccc2c(c1)OCO2 ZINC000121353033 626517235 /nfs/dbraw/zinc/51/72/35/626517235.db2.gz RNKAUXDIRLHZKM-LLVKDONJSA-N 0 0 279.336 2.583 20 10 CFCDRN Cc1cc(Br)c(O)c(CNCC(F)F)c1 ZINC000839093758 626524331 /nfs/dbraw/zinc/52/43/31/626524331.db2.gz WTAZNDWFOTXFKG-UHFFFAOYSA-N 0 0 280.112 2.818 20 10 CFCDRN Cc1noc(C2CN(C/C=C\c3ccc(N(C)C)cc3)C2)n1 ZINC000839131259 626527847 /nfs/dbraw/zinc/52/78/47/626527847.db2.gz QRFOUCTZBRVVHU-PLNGDYQASA-N 0 0 298.390 2.557 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)nc1C ZINC000839469126 626537582 /nfs/dbraw/zinc/53/75/82/626537582.db2.gz JEVSWMDXWXLLDR-UHFFFAOYSA-N 0 0 283.375 2.694 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1cc(Cl)ccc1O ZINC000788983723 626538575 /nfs/dbraw/zinc/53/85/75/626538575.db2.gz GADTYLAHYCUWOB-QMMMGPOBSA-N 0 0 281.743 2.961 20 10 CFCDRN CCCN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000840824812 626548771 /nfs/dbraw/zinc/54/87/71/626548771.db2.gz OTYJNLPPCCRBDS-SFHVURJKSA-N 0 0 296.370 2.900 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1csnn1)CCC2 ZINC000839656218 626549607 /nfs/dbraw/zinc/54/96/07/626549607.db2.gz JJYNJTUXVRZUCL-UHFFFAOYSA-N 0 0 291.376 2.508 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C(/C)C2CC2)c1 ZINC000103528849 626552178 /nfs/dbraw/zinc/55/21/78/626552178.db2.gz YLZYPOXHIFBJEQ-HIJJYWJESA-N 0 0 275.348 2.934 20 10 CFCDRN COCC(C)(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000839727947 626553520 /nfs/dbraw/zinc/55/35/20/626553520.db2.gz FZJLFYHKFKRNCS-CYBMUJFWSA-N 0 0 292.423 2.993 20 10 CFCDRN CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000757938331 626568876 /nfs/dbraw/zinc/56/88/76/626568876.db2.gz DTAGBVFUEQDLOY-UHFFFAOYSA-N 0 0 297.393 2.525 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnco2)cc1 ZINC000758159102 626579602 /nfs/dbraw/zinc/57/96/02/626579602.db2.gz LKTBZFSXVXBBKS-UHFFFAOYSA-N 0 0 287.363 2.793 20 10 CFCDRN O=C(N[C@@H]1COc2c1cccc2Cl)C1=CC(=O)CS1 ZINC000758348981 626589141 /nfs/dbraw/zinc/58/91/41/626589141.db2.gz ZSPUZFVGCVTKHA-SNVBAGLBSA-N 0 0 295.747 2.971 20 10 CFCDRN COc1ccc(C)cc1COC(=O)c1cccc(O)c1O ZINC000758572873 626598544 /nfs/dbraw/zinc/59/85/44/626598544.db2.gz OKIFJBZRHDKLDK-UHFFFAOYSA-N 0 0 288.299 2.772 20 10 CFCDRN CC(C)(C)OCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759595382 626674041 /nfs/dbraw/zinc/67/40/41/626674041.db2.gz QYHPUOBHNYNGSZ-SOFGYWHQSA-N 0 0 294.347 2.859 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C=CCCC1 ZINC000759595277 626674400 /nfs/dbraw/zinc/67/44/00/626674400.db2.gz JSJRUTQNXKXNIZ-CRALRDPISA-N 0 0 260.289 2.763 20 10 CFCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2ncccc21 ZINC000759624443 626677426 /nfs/dbraw/zinc/67/74/26/626677426.db2.gz YNJFHUXIJHPWMJ-XQRVVYSFSA-N 0 0 285.734 2.733 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000759927935 626702387 /nfs/dbraw/zinc/70/23/87/626702387.db2.gz IWTQCMNTUVWCSX-BJMVGYQFSA-N 0 0 299.374 2.884 20 10 CFCDRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)cnc1Cl ZINC000760216966 626720166 /nfs/dbraw/zinc/72/01/66/626720166.db2.gz DYWMSTYPYDXOAI-XBXARRHUSA-N 0 0 284.793 2.874 20 10 CFCDRN CCO[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000760300979 626732009 /nfs/dbraw/zinc/73/20/09/626732009.db2.gz SOZDIKGZRVNOMI-INIZCTEOSA-N 0 0 292.423 2.820 20 10 CFCDRN COc1nc(C)cc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000760551359 626755619 /nfs/dbraw/zinc/75/56/19/626755619.db2.gz PUTYVWHTERBQND-UHFFFAOYSA-N 0 0 296.374 2.782 20 10 CFCDRN CC[C@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000761222241 626817644 /nfs/dbraw/zinc/81/76/44/626817644.db2.gz RTAMEHLYSIEAHT-ZCFIWIBFSA-N 0 0 267.272 2.915 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCSC1 ZINC000762104100 626891634 /nfs/dbraw/zinc/89/16/34/626891634.db2.gz VSGFFRPKOLQBDZ-CQSZACIVSA-N 0 0 292.448 2.854 20 10 CFCDRN O=C(N[C@@H](C1CC1)C1CCC1)C1=CC(=O)CS1 ZINC000839794217 626903228 /nfs/dbraw/zinc/90/32/28/626903228.db2.gz ZTOIZTZWWLVOKH-GFCCVEGCSA-N 0 0 251.351 2.762 20 10 CFCDRN 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CFCDRN O=C(COC/C=C\c1ccccc1)NCc1ccccc1O ZINC000764322191 627051254 /nfs/dbraw/zinc/05/12/54/627051254.db2.gz NFKUWDGYRWSYBY-TWGQIWQCSA-N 0 0 297.354 2.738 20 10 CFCDRN COC(=O)C[C@H](C)Sc1ncc(Cl)s1 ZINC000765033294 627114522 /nfs/dbraw/zinc/11/45/22/627114522.db2.gz CWKHBPLKTRIBGU-YFKPBYRVSA-N 0 0 251.760 2.840 20 10 CFCDRN CC(C)OC(=O)CSc1ncc(Cl)s1 ZINC000765035981 627114781 /nfs/dbraw/zinc/11/47/81/627114781.db2.gz VDBUDHSTWZXVGG-UHFFFAOYSA-N 0 0 251.760 2.840 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cnn(CC)n2)cc1 ZINC000851830215 634550299 /nfs/dbraw/zinc/55/02/99/634550299.db2.gz PGGPRHPPKWHZDJ-UHFFFAOYSA-N 0 0 274.368 2.723 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000805310230 627154508 /nfs/dbraw/zinc/15/45/08/627154508.db2.gz QOXPUARVLYHWAK-SLEUVZQESA-N 0 0 275.396 2.911 20 10 CFCDRN C[C@H](CCCc1cccnc1)NC(=O)C1=CC(=O)CS1 ZINC000839798861 627170649 /nfs/dbraw/zinc/17/06/49/627170649.db2.gz HEBJPTRSQLNDLC-LLVKDONJSA-N 0 0 290.388 2.990 20 10 CFCDRN CC/C=C/CCOC(=O)c1ccc(C)c(O)c1O ZINC000767525796 627258707 /nfs/dbraw/zinc/25/87/07/627258707.db2.gz VIZFFZOATNRANG-SNAWJCMRSA-N 0 0 250.294 2.919 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)sn2)c1 ZINC000768078673 627312002 /nfs/dbraw/zinc/31/20/02/627312002.db2.gz JNMYWJRAZAJULX-SECBINFHSA-N 0 0 292.360 2.657 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCOC2)cc1OC ZINC000768535767 627352012 /nfs/dbraw/zinc/35/20/12/627352012.db2.gz QGCJKCFCGHTHEJ-LBPRGKRZSA-N 0 0 265.353 2.567 20 10 CFCDRN Cn1c(NC(=O)C2=CC(=O)CS2)nc2ccc(F)cc21 ZINC000768733419 627366965 /nfs/dbraw/zinc/36/69/65/627366965.db2.gz RHAPFZQMXJYSLT-UHFFFAOYSA-N 0 0 291.307 2.732 20 10 CFCDRN CCOc1ccc(CN2CCC[C@@H]2c2ncon2)c(O)c1 ZINC000769232379 627414250 /nfs/dbraw/zinc/41/42/50/627414250.db2.gz LNCTUYLGLRSLDJ-CYBMUJFWSA-N 0 0 289.335 2.511 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)Oc3ccccc32)cn1 ZINC000769331165 627425693 /nfs/dbraw/zinc/42/56/93/627425693.db2.gz SRNFWZRWXMVMDM-HJWRWDBZSA-N 0 0 297.358 2.638 20 10 CFCDRN O=C(/C=C/c1ccsc1)NCc1ccccc1O ZINC000769361642 627428597 /nfs/dbraw/zinc/42/85/97/627428597.db2.gz RFJOJMJGHBNPJP-AATRIKPKSA-N 0 0 259.330 2.783 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000769389672 627433214 /nfs/dbraw/zinc/43/32/14/627433214.db2.gz LXDWTPCQQKUOKV-LBPRGKRZSA-N 0 0 273.332 2.983 20 10 CFCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769514305 627449836 /nfs/dbraw/zinc/44/98/36/627449836.db2.gz IYGZDMJXFKVSBT-NEPJUHHUSA-N 0 0 281.783 2.904 20 10 CFCDRN CCOc1ccc(CN(C)[C@H](C)C(=O)OC(C)C)c(O)c1 ZINC000769525201 627452460 /nfs/dbraw/zinc/45/24/60/627452460.db2.gz QMAWPXKZXIJSRM-GFCCVEGCSA-N 0 0 295.379 2.563 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H](C)CCC2CC2)c1O ZINC000769556540 627455563 /nfs/dbraw/zinc/45/55/63/627455563.db2.gz MPHJPQLFRAQUNG-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@H](CCC1CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000769641676 627463222 /nfs/dbraw/zinc/46/32/22/627463222.db2.gz FAMHORFXLBRRII-GXMKHXEJSA-N 0 0 275.348 2.806 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nccs1 ZINC000770210164 627507242 /nfs/dbraw/zinc/50/72/42/627507242.db2.gz KEEPISRJIFHSEZ-UHFFFAOYSA-N 0 0 287.388 2.673 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1O ZINC000770465477 627524259 /nfs/dbraw/zinc/52/42/59/627524259.db2.gz CNQCJNMYZOYRHO-UFGOTCBOSA-N 0 0 277.364 2.961 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000770495905 627525957 /nfs/dbraw/zinc/52/59/57/627525957.db2.gz ZVADZXBFJSOANQ-UHFFFAOYSA-N 0 0 283.327 2.918 20 10 CFCDRN Cn1ncc(NCc2cc(F)ccc2O)c1C1CC1 ZINC000770664179 627538576 /nfs/dbraw/zinc/53/85/76/627538576.db2.gz DQUXAWQQKVEMPY-UHFFFAOYSA-N 0 0 261.300 2.754 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@H]1C ZINC000770716713 627543632 /nfs/dbraw/zinc/54/36/32/627543632.db2.gz SFYFVGZKUOXMIS-BBRMVZONSA-N 0 0 290.407 2.526 20 10 CFCDRN Cc1ccncc1[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000771438321 627604469 /nfs/dbraw/zinc/60/44/69/627604469.db2.gz GRKKLWWMHYLOHX-CYBMUJFWSA-N 0 0 299.374 2.998 20 10 CFCDRN C[C@@H](Nc1ncc(F)cn1)c1ccc(N(C)C)cc1 ZINC000772299901 627699068 /nfs/dbraw/zinc/69/90/68/627699068.db2.gz XJCSFNFZVGYLPY-SNVBAGLBSA-N 0 0 260.316 2.855 20 10 CFCDRN CS/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772996244 627766380 /nfs/dbraw/zinc/76/63/80/627766380.db2.gz CQBLFPPCBGUOBJ-JUDLJHIGSA-N 0 0 264.394 2.807 20 10 CFCDRN CCOCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772999838 627766832 /nfs/dbraw/zinc/76/68/32/627766832.db2.gz MYKYRRLHGQWUHB-ZDUSSCGKSA-N 0 0 278.396 2.747 20 10 CFCDRN C[C@H](NC(=O)c1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000773000189 627767148 /nfs/dbraw/zinc/76/71/48/627767148.db2.gz NTEXRTYQZNMHFV-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773007745 627767680 /nfs/dbraw/zinc/76/76/80/627767680.db2.gz JAFGLQXOBLLDQF-NFAWXSAZSA-N 0 0 290.407 2.745 20 10 CFCDRN C[C@H](NC(=O)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000773006969 627767735 /nfs/dbraw/zinc/76/77/35/627767735.db2.gz GRJDFAWVMAHYMJ-LBPRGKRZSA-N 0 0 269.348 2.639 20 10 CFCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773010444 627768310 /nfs/dbraw/zinc/76/83/10/627768310.db2.gz ACGUQLRSGVIXFW-GFCCVEGCSA-N 0 0 299.374 2.647 20 10 CFCDRN C[C@H](NC(=O)C1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000773018033 627769640 /nfs/dbraw/zinc/76/96/40/627769640.db2.gz WINFIGADDXZMPS-JTQLQIEISA-N 0 0 282.334 2.975 20 10 CFCDRN COc1ccnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773019284 627769903 /nfs/dbraw/zinc/76/99/03/627769903.db2.gz KHDWZTOBFARAEC-LBPRGKRZSA-N 0 0 299.374 2.647 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccco1)c1ccc(N(C)C)cc1 ZINC000773113012 627784304 /nfs/dbraw/zinc/78/43/04/627784304.db2.gz NUHBFMGKGRAXIO-GFCCVEGCSA-N 0 0 287.363 2.906 20 10 CFCDRN CC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773128958 627786273 /nfs/dbraw/zinc/78/62/73/627786273.db2.gz IZJNCEBVNCWDRU-NWDGAFQWSA-N 0 0 263.385 2.911 20 10 CFCDRN Cc1nnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000773408138 627815703 /nfs/dbraw/zinc/81/57/03/627815703.db2.gz FMNKBETVXWXKSW-UHFFFAOYSA-N 0 0 276.409 2.545 20 10 CFCDRN CS[C@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773411923 627816057 /nfs/dbraw/zinc/81/60/57/627816057.db2.gz VZJOJYJFAQUJLX-VXGBXAGGSA-N 0 0 295.452 2.864 20 10 CFCDRN CS[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773411913 627816547 /nfs/dbraw/zinc/81/65/47/627816547.db2.gz VZJOJYJFAQUJLX-NEPJUHHUSA-N 0 0 295.452 2.864 20 10 CFCDRN C[C@H](NC(=O)N1CCSCC1)c1ccc(N(C)C)cc1 ZINC000773621754 627842918 /nfs/dbraw/zinc/84/29/18/627842918.db2.gz PDMSPELUQRTTIF-LBPRGKRZSA-N 0 0 293.436 2.572 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccco1 ZINC000773748241 627853747 /nfs/dbraw/zinc/85/37/47/627853747.db2.gz IJXHLMKZTOJWEQ-WDEREUQCSA-N 0 0 289.331 2.542 20 10 CFCDRN CC/C(C)=C(/C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773769403 627857416 /nfs/dbraw/zinc/85/74/16/627857416.db2.gz UCODXEMVCYEQJC-JPQYHBGPSA-N 0 0 277.364 2.891 20 10 CFCDRN CC/C(C)=C(\C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773769408 627857638 /nfs/dbraw/zinc/85/76/38/627857638.db2.gz UCODXEMVCYEQJC-OCUQMRJBSA-N 0 0 277.364 2.891 20 10 CFCDRN CCC(C)(C)NC(=S)NCc1cc(OC)ccc1O ZINC000774181933 627899455 /nfs/dbraw/zinc/89/94/55/627899455.db2.gz QROGRJOXKHYSCZ-UHFFFAOYSA-N 0 0 282.409 2.554 20 10 CFCDRN Nc1nc(NCc2ccccc2O)nc2ccccc12 ZINC000774523999 627934731 /nfs/dbraw/zinc/93/47/31/627934731.db2.gz MEHJTMSPBTVIMG-UHFFFAOYSA-N 0 0 266.304 2.530 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000774982178 627983070 /nfs/dbraw/zinc/98/30/70/627983070.db2.gz CYFCICLLECDHRN-VIFPVBQESA-N 0 0 280.324 2.587 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC2CCC2)ccc1[N+](=O)[O-] ZINC000775036855 627986394 /nfs/dbraw/zinc/98/63/94/627986394.db2.gz GOPQANVXZQTBHL-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN COc1ccc(CN[C@H](C)c2nccn2C)cc1C ZINC000775382043 628017144 /nfs/dbraw/zinc/01/71/44/628017144.db2.gz UZXSFMYGSBLBBN-GFCCVEGCSA-N 0 0 259.353 2.588 20 10 CFCDRN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775405196 628021493 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ZINC000775828703 628073212 /nfs/dbraw/zinc/07/32/12/628073212.db2.gz UULWSIUWZAMRBS-STQMWFEESA-N 0 0 278.396 2.745 20 10 CFCDRN CCCOC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775828698 628073486 /nfs/dbraw/zinc/07/34/86/628073486.db2.gz UULWSIUWZAMRBS-CHWSQXEVSA-N 0 0 278.396 2.745 20 10 CFCDRN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)ccc1O ZINC000776003106 628093143 /nfs/dbraw/zinc/09/31/43/628093143.db2.gz WRTGBWKATGPFDZ-MFKMUULPSA-N 0 0 297.782 2.819 20 10 CFCDRN COc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000776173649 628111169 /nfs/dbraw/zinc/11/11/69/628111169.db2.gz CGAQCOWEVHBIRJ-UHFFFAOYSA-N 0 0 278.739 2.739 20 10 CFCDRN Cc1cc(Cl)cc(CNCc2cocn2)c1O ZINC000776188681 628114514 /nfs/dbraw/zinc/11/45/14/628114514.db2.gz ZLSWOLXLHRNGRG-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776220758 628118933 /nfs/dbraw/zinc/11/89/33/628118933.db2.gz ZVVNIIRQUYTEAC-CMPLNLGQSA-N 0 0 271.788 2.932 20 10 CFCDRN 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[O-]c1c(F)cc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793254888 629514827 /nfs/dbraw/zinc/51/48/27/629514827.db2.gz MADQEYYZHIIYGS-VIFPVBQESA-N 0 0 285.746 2.653 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793324080 629526747 /nfs/dbraw/zinc/52/67/47/629526747.db2.gz WVUPQWPXAPAQAK-GFCCVEGCSA-N 0 0 287.762 2.825 20 10 CFCDRN COc1ccc(CNC(=O)CCCCSC)c(O)c1 ZINC000794380600 629640647 /nfs/dbraw/zinc/64/06/47/629640647.db2.gz FFXZPNFBCKOKGT-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(SC)o2)c(O)c1 ZINC000794377946 629641446 /nfs/dbraw/zinc/64/14/46/629641446.db2.gz AZFDTKJHNYNZPT-UHFFFAOYSA-N 0 0 293.344 2.646 20 10 CFCDRN COc1ccc(CNC(=O)/C=C\c2ccccc2)c(O)c1 ZINC000794381363 629642277 /nfs/dbraw/zinc/64/22/77/629642277.db2.gz LGIRRZLULKNFRW-YFHOEESVSA-N 0 0 283.327 2.730 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C)cc2F)c(O)c1 ZINC000794387494 629642590 /nfs/dbraw/zinc/64/25/90/629642590.db2.gz JVEGRIQJGGYBDR-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(C)cc(F)c2)c(O)c1 ZINC000794387684 629642658 /nfs/dbraw/zinc/64/26/58/629642658.db2.gz JMLWCJFKTGGFLV-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(CNC(=O)C(F)=C2CCCC2)c(O)c1 ZINC000794388289 629642731 /nfs/dbraw/zinc/64/27/31/629642731.db2.gz VNLUUQSUIJOBNQ-UHFFFAOYSA-N 0 0 279.311 2.815 20 10 CFCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794390417 629642759 /nfs/dbraw/zinc/64/27/59/629642759.db2.gz JHDNQTFQNJMTHR-QWRGUYRKSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1ccc(CNC(=O)/C=C/c2cccs2)c(O)c1 ZINC000794386848 629642810 /nfs/dbraw/zinc/64/28/10/629642810.db2.gz CPBBYPPFHIBMKI-VOTSOKGWSA-N 0 0 289.356 2.792 20 10 CFCDRN C[C@H]([NH2+]CCN1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000794830982 629691959 /nfs/dbraw/zinc/69/19/59/629691959.db2.gz AYCYWZBXDDIQMW-NSHDSACASA-N 0 0 282.334 2.583 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccnn2C(C)C)SC1=S ZINC000794864429 629697584 /nfs/dbraw/zinc/69/75/84/629697584.db2.gz FDQLPZUJNNOCEL-JXMROGBWSA-N 0 0 281.406 2.685 20 10 CFCDRN COC(=O)/C=C\c1ccc(N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795194114 629743740 /nfs/dbraw/zinc/74/37/40/629743740.db2.gz NVWYPAMDOZBLNX-UCSNCLKLSA-N 0 0 290.319 2.768 20 10 CFCDRN CC[C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000852492287 634760901 /nfs/dbraw/zinc/76/09/01/634760901.db2.gz NUJDZKGQQDKVLZ-ZDUSSCGKSA-N 0 0 277.412 2.988 20 10 CFCDRN COc1ccc(CNc2ncc(C)cc2[N+](=O)[O-])c(O)c1 ZINC000795285528 629757384 /nfs/dbraw/zinc/75/73/84/629757384.db2.gz QTIDXODTYPHYKS-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN CC[C@@H]([NH2+]CCN1CCCC1)c1ccc(F)cc1[O-] ZINC000796671940 629948748 /nfs/dbraw/zinc/94/87/48/629948748.db2.gz JTHCYFQECYYREQ-CQSZACIVSA-N 0 0 266.360 2.668 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000796681438 629949435 /nfs/dbraw/zinc/94/94/35/629949435.db2.gz FIAVONJEFGOTST-OCCSQVGLSA-N 0 0 279.311 2.899 20 10 CFCDRN CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000796748436 629959383 /nfs/dbraw/zinc/95/93/83/629959383.db2.gz 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/nfs/dbraw/zinc/07/03/82/630070382.db2.gz IUWXDXFRRMUMQP-JKSUJKDBSA-N 0 0 287.407 2.659 20 10 CFCDRN C[C@@H]1[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000797744831 630098572 /nfs/dbraw/zinc/09/85/72/630098572.db2.gz SKWQFPVKOPZPTN-JECHBYEQSA-N 0 0 297.354 2.764 20 10 CFCDRN CC[C@@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000852597049 634789480 /nfs/dbraw/zinc/78/94/80/634789480.db2.gz QILKJERSQFMHBN-QMTHXVAHSA-N 0 0 292.379 2.950 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2CCC(F)(F)C2)c(O)c1 ZINC000798006540 630141417 /nfs/dbraw/zinc/14/14/17/630141417.db2.gz QIRMBOUZPDTHPM-SNVBAGLBSA-N 0 0 299.317 2.843 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]2C)c1O ZINC000798511307 630197856 /nfs/dbraw/zinc/19/78/56/630197856.db2.gz LJBIXYWBKFDMHK-NWDGAFQWSA-N 0 0 292.379 2.636 20 10 CFCDRN CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000798955531 630263867 /nfs/dbraw/zinc/26/38/67/630263867.db2.gz RBYWXAIVFJCQFV-GFCCVEGCSA-N 0 0 296.386 2.665 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CC(C)(C)C2)c1 ZINC000852699562 634810120 /nfs/dbraw/zinc/81/01/20/634810120.db2.gz RRKIXBHBTSXAFR-SNVBAGLBSA-N 0 0 292.379 2.950 20 10 CFCDRN Cc1ccc(C(=O)NCC2CCC(F)(F)CC2)c(O)c1O ZINC000800641134 630399564 /nfs/dbraw/zinc/39/95/64/630399564.db2.gz LVHHVGYOQCZLFX-UHFFFAOYSA-N 0 0 299.317 2.962 20 10 CFCDRN CC[C@H](OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918525 630400797 /nfs/dbraw/zinc/40/07/97/630400797.db2.gz MPOLBORRSDVMOT-BBRMVZONSA-N 0 0 292.423 2.533 20 10 CFCDRN CO[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918739 630401954 /nfs/dbraw/zinc/40/19/54/630401954.db2.gz NDIRJFGGBZCKOS-KGLIPLIRSA-N 0 0 292.423 2.533 20 10 CFCDRN O=C(NCCc1cccc2[nH]ccc21)C1=CC(=O)CS1 ZINC000800701325 630402013 /nfs/dbraw/zinc/40/20/13/630402013.db2.gz ZZMFQQWHMUCPAM-UHFFFAOYSA-N 0 0 286.356 2.908 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2ncnn2C)c1O ZINC000808714990 630404172 /nfs/dbraw/zinc/40/41/72/630404172.db2.gz GHPKUVQYPCFRKV-UWVGGRQHSA-N 0 0 294.786 2.894 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CC(C)(C)C2)c1 ZINC000852699561 634810339 /nfs/dbraw/zinc/81/03/39/634810339.db2.gz RRKIXBHBTSXAFR-JTQLQIEISA-N 0 0 292.379 2.950 20 10 CFCDRN O=C(Cc1coc2ccccc12)NCc1ccccc1O ZINC000802776849 630545579 /nfs/dbraw/zinc/54/55/79/630545579.db2.gz AVMCIGHVIMUVFQ-UHFFFAOYSA-N 0 0 281.311 2.997 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCc3cc(Cl)ccc32)cn1 ZINC000803482996 630622696 /nfs/dbraw/zinc/62/26/96/630622696.db2.gz HIZIPPVRRJXOSE-GORDUTHDSA-N 0 0 287.750 2.676 20 10 CFCDRN COc1ccc2c(c1)CCCN2CN1C[C@H](C)[C@@H](C)C1=O ZINC000840031682 630663580 /nfs/dbraw/zinc/66/35/80/630663580.db2.gz JUUCTUCGNPDBDL-QWHCGFSZSA-N 0 0 288.391 2.520 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000121472855 630910906 /nfs/dbraw/zinc/91/09/06/630910906.db2.gz VKAYNSWCEVHIFJ-SMDDNHRTSA-N 0 0 292.379 2.779 20 10 CFCDRN CCn1c(C)nc([N+](=O)[O-])c1Sc1nccs1 ZINC000807935566 630923640 /nfs/dbraw/zinc/92/36/40/630923640.db2.gz OWDQIUKHUZGCMJ-UHFFFAOYSA-N 0 0 270.339 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2.610 20 10 CFCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000837378736 631017230 /nfs/dbraw/zinc/01/72/30/631017230.db2.gz DFPHAXDCZVPWKR-GDBMZVCRSA-N 0 0 289.423 2.986 20 10 CFCDRN CCn1cnnc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808676848 631026543 /nfs/dbraw/zinc/02/65/43/631026543.db2.gz MIKNPOLYNCRVMD-SNVBAGLBSA-N 0 0 294.786 2.816 20 10 CFCDRN CC[C@H](CC(F)F)C(=O)NCc1cc(OC)ccc1O ZINC000837483488 631045361 /nfs/dbraw/zinc/04/53/61/631045361.db2.gz AYWUEAXGGBVFQM-SECBINFHSA-N 0 0 287.306 2.698 20 10 CFCDRN CC(=O)CCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837589436 631078184 /nfs/dbraw/zinc/07/81/84/631078184.db2.gz ZBZRJJCUKKEYPH-VQHVLOKHSA-N 0 0 292.331 2.804 20 10 CFCDRN CC(C)(CC(=O)COC(=O)c1cccc(O)c1O)C1CC1 ZINC000837648659 631096829 /nfs/dbraw/zinc/09/68/29/631096829.db2.gz UAYLWSDLNRHXRA-UHFFFAOYSA-N 0 0 292.331 2.650 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=S)NC2(C)CCC2)c1 ZINC000840725933 631177106 /nfs/dbraw/zinc/17/71/06/631177106.db2.gz QVOGPVYJMPMMEE-JTQLQIEISA-N 0 0 294.420 2.869 20 10 CFCDRN COc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117791 649994951 /nfs/dbraw/zinc/99/49/51/649994951.db2.gz NLYIVYKCSFCPLO-UHFFFAOYSA-N 0 0 271.316 2.673 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC1 ZINC000042309490 649997446 /nfs/dbraw/zinc/99/74/46/649997446.db2.gz GGAPTAFULIJXFN-UHFFFAOYSA-N 0 0 273.380 2.592 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840820294 631231566 /nfs/dbraw/zinc/23/15/66/631231566.db2.gz HFRTUXUBNPNSAL-BHYNMZESSA-N 0 0 280.324 2.519 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000840835009 631235486 /nfs/dbraw/zinc/23/54/86/631235486.db2.gz FCHDONFJMQBEEP-NEPJUHHUSA-N 0 0 295.379 2.502 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000840835534 631235493 /nfs/dbraw/zinc/23/54/93/631235493.db2.gz MHJNQCZRMJYVCM-GHMZBOCLSA-N 0 0 255.333 2.855 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840836266 631236290 /nfs/dbraw/zinc/23/62/90/631236290.db2.gz XAYDJCGHBGEAAB-UWVGGRQHSA-N 0 0 273.323 2.994 20 10 CFCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccccc1O ZINC000809696747 631266864 /nfs/dbraw/zinc/26/68/64/631266864.db2.gz QBNSIMQKRNYHQV-JOYOIKCWSA-N 0 0 275.270 2.544 20 10 CFCDRN COc1cccc(CNc2ccc3c(c2)C(=O)OC3)c1O ZINC000809789073 631290187 /nfs/dbraw/zinc/29/01/87/631290187.db2.gz TUBMZRNRBPSQQK-UHFFFAOYSA-N 0 0 285.299 2.683 20 10 CFCDRN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000840978680 631292420 /nfs/dbraw/zinc/29/24/20/631292420.db2.gz OZYQEVYOTHBLFS-VHSXEESVSA-N 0 0 287.762 2.778 20 10 CFCDRN CC(C)C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840995870 631296419 /nfs/dbraw/zinc/29/64/19/631296419.db2.gz KJVKCZXWLJYPSM-SQRWCISFSA-N 0 0 290.407 2.855 20 10 CFCDRN Cc1cc(O)c(CNC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000841033088 631313116 /nfs/dbraw/zinc/31/31/16/631313116.db2.gz KGYWDIADSGRQTO-NSHDSACASA-N 0 0 268.788 2.586 20 10 CFCDRN NC[C@@H]([NH2+]Cc1cccc(F)c1[O-])C1CCCCC1 ZINC000841039654 631318189 /nfs/dbraw/zinc/31/81/89/631318189.db2.gz YDPCVXVQXARRPH-CQSZACIVSA-N 0 0 266.360 2.529 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(CO)C(C)C)c1[O-] ZINC000810075283 631322507 /nfs/dbraw/zinc/32/25/07/631322507.db2.gz JIVLVFXLPPLMBP-OAHLLOKOSA-N 0 0 299.798 2.745 20 10 CFCDRN C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841057634 631324671 /nfs/dbraw/zinc/32/46/71/631324671.db2.gz BQGBTWFBSSTMAL-PELKAZGASA-N 0 0 289.206 2.787 20 10 CFCDRN CCCC[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841059080 631325485 /nfs/dbraw/zinc/32/54/85/631325485.db2.gz YYDIQHXCERZJPU-CYBMUJFWSA-N 0 0 291.395 2.682 20 10 CFCDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841137922 631345748 /nfs/dbraw/zinc/34/57/48/631345748.db2.gz POONZQWRNCOEBZ-CYBMUJFWSA-N 0 0 291.395 2.538 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841187621 631354779 /nfs/dbraw/zinc/35/47/79/631354779.db2.gz YVQCNUUWPMZSHX-BBRMVZONSA-N 0 0 292.423 2.991 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2cc3c(cn2)CCC3)cc1 ZINC000841249119 631368537 /nfs/dbraw/zinc/36/85/37/631368537.db2.gz FMBYEKYBIQRIDW-UHFFFAOYSA-N 0 0 296.374 2.517 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCSC1 ZINC000810411108 631369001 /nfs/dbraw/zinc/36/90/01/631369001.db2.gz IPUJTCOQPKWUFF-AWEZNQCLSA-N 0 0 292.448 2.820 20 10 CFCDRN COCCN(C(=O)Nc1ccc(N)cc1)[C@H]1CC[C@H](C)C1 ZINC000841294423 631376280 /nfs/dbraw/zinc/37/62/80/631376280.db2.gz BVUQRPVDEXCGNZ-WFASDCNBSA-N 0 0 291.395 2.938 20 10 CFCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296793 631377431 /nfs/dbraw/zinc/37/74/31/631377431.db2.gz YYLHISDARCMDCW-LSDHHAIUSA-N 0 0 291.395 2.984 20 10 CFCDRN CCOCCC1(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841298246 631377459 /nfs/dbraw/zinc/37/74/59/631377459.db2.gz OTFDVCVINHCKLE-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN Nc1ccc(NC(=O)N2CC(C3CCCC3)C2)cc1 ZINC000841296866 631377464 /nfs/dbraw/zinc/37/74/64/631377464.db2.gz JHHUIJAZHNHSLX-UHFFFAOYSA-N 0 0 259.353 2.923 20 10 CFCDRN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298865 631377994 /nfs/dbraw/zinc/37/79/94/631377994.db2.gz DPJQTTSTOZURTP-KGLIPLIRSA-N 0 0 291.395 2.936 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000841300331 631379265 /nfs/dbraw/zinc/37/92/65/631379265.db2.gz UYJNZKSADRIICD-GFCCVEGCSA-N 0 0 289.379 2.740 20 10 CFCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)C1CCOCC1 ZINC000841300897 631379287 /nfs/dbraw/zinc/37/92/87/631379287.db2.gz WDODUPUVPFZGCW-AWEZNQCLSA-N 0 0 277.368 2.596 20 10 CFCDRN CC(C)(C)n1cc(NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841301715 631379435 /nfs/dbraw/zinc/37/94/35/631379435.db2.gz WURVDVABKRBWIQ-UHFFFAOYSA-N 0 0 273.340 2.864 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841378786 631398312 /nfs/dbraw/zinc/39/83/12/631398312.db2.gz DSHBRHVTCRKAAX-MRXNPFEDSA-N 0 0 292.423 2.772 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841620736 631434305 /nfs/dbraw/zinc/43/43/05/631434305.db2.gz WNHIGDHCUCUNET-DVOMOZLQSA-N 0 0 289.423 2.935 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000841705755 631456467 /nfs/dbraw/zinc/45/64/67/631456467.db2.gz WFNGFNAMQAUSBR-HNNXBMFYSA-N 0 0 299.374 2.781 20 10 CFCDRN CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744677 631462982 /nfs/dbraw/zinc/46/29/82/631462982.db2.gz JYCYFYHGWXLGCZ-JTQLQIEISA-N 0 0 284.787 2.611 20 10 CFCDRN COCCOCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744573 631463043 /nfs/dbraw/zinc/46/30/43/631463043.db2.gz PZVYDDJYWWLAGH-NSHDSACASA-N 0 0 287.787 2.749 20 10 CFCDRN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841752409 631465690 /nfs/dbraw/zinc/46/56/90/631465690.db2.gz APKWPJZRPIFFTA-LLVKDONJSA-N 0 0 299.798 2.628 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841759234 631468002 /nfs/dbraw/zinc/46/80/02/631468002.db2.gz XPWVXEOCUUOUAQ-GBIKHYSHSA-N 0 0 269.772 2.857 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])C(C)C)cc1C ZINC000841798749 631472870 /nfs/dbraw/zinc/47/28/70/631472870.db2.gz JMEKHYXHDDIURY-ZDUSSCGKSA-N 0 0 265.353 2.593 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC000841807866 631473517 /nfs/dbraw/zinc/47/35/17/631473517.db2.gz FPPMKHIMWMYIPJ-KBPBESRZSA-N 0 0 290.407 2.876 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CC2(C(=O)[O-])CCC2)cc1 ZINC000841810240 631474276 /nfs/dbraw/zinc/47/42/76/631474276.db2.gz IFEBBVPMHZGKDH-UHFFFAOYSA-N 0 0 290.407 2.877 20 10 CFCDRN CC1(C)C(CNC(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000841889608 631488730 /nfs/dbraw/zinc/48/87/30/631488730.db2.gz FWNAQWFJFZNRNJ-UHFFFAOYSA-N 0 0 289.423 2.793 20 10 CFCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841916336 631493866 /nfs/dbraw/zinc/49/38/66/631493866.db2.gz VCHUGPHOKIJTON-UKRRQHHQSA-N 0 0 275.396 2.545 20 10 CFCDRN CC(C)[C@H]1N(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000841955560 631495501 /nfs/dbraw/zinc/49/55/01/631495501.db2.gz GPUPWTGQRZSWFX-OAHLLOKOSA-N 0 0 289.423 2.887 20 10 CFCDRN CN(CC1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841957113 631496379 /nfs/dbraw/zinc/49/63/79/631496379.db2.gz OMKLEDCOGZDUED-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000841956176 631496598 /nfs/dbraw/zinc/49/65/98/631496598.db2.gz XNKMVMUKZJTCQA-AWEZNQCLSA-N 0 0 299.374 2.603 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C2CC2)C1 ZINC000811530863 631577617 /nfs/dbraw/zinc/57/76/17/631577617.db2.gz CEINWZRLLZUDDU-JTQLQIEISA-N 0 0 251.351 2.716 20 10 CFCDRN Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(O)c(O)c1 ZINC000811810785 631625506 /nfs/dbraw/zinc/62/55/06/631625506.db2.gz BZLUAFHDSXBXNV-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN CCOc1ccc(CNc2ccc(Cl)nn2)c(O)c1 ZINC000811836797 631630317 /nfs/dbraw/zinc/63/03/17/631630317.db2.gz PMSDFMURPOTYOQ-UHFFFAOYSA-N 0 0 279.727 2.846 20 10 CFCDRN COC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000812448713 631719807 /nfs/dbraw/zinc/71/98/07/631719807.db2.gz CDUBVTRYCOGCQO-UONOGXRCSA-N 0 0 292.423 2.630 20 10 CFCDRN COc1cccc(CNc2cc(OC(C)C)ncn2)c1O ZINC000840256849 631726982 /nfs/dbraw/zinc/72/69/82/631726982.db2.gz UXJIJUQKBAVFII-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN COCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000842891484 631776161 /nfs/dbraw/zinc/77/61/61/631776161.db2.gz UYLPGOQEHDTZCS-LLVKDONJSA-N 0 0 294.351 2.768 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000842927456 631784220 /nfs/dbraw/zinc/78/42/20/631784220.db2.gz FJIPSWRRRVIVRR-OPQQBVKSSA-N 0 0 295.404 2.723 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000843037704 631808464 /nfs/dbraw/zinc/80/84/64/631808464.db2.gz BAJHZXMKCAOJDZ-CYBMUJFWSA-N 0 0 282.359 2.625 20 10 CFCDRN C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843046397 631813337 /nfs/dbraw/zinc/81/33/37/631813337.db2.gz UALXNAAOZSNOGP-ZANVPECISA-N 0 0 286.778 2.886 20 10 CFCDRN C[C@H](NC(=O)N1CC(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000813142842 631861716 /nfs/dbraw/zinc/86/17/16/631861716.db2.gz QYTZBYOUSHEJMD-LBPRGKRZSA-N 0 0 287.407 2.865 20 10 CFCDRN C[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158731 631870346 /nfs/dbraw/zinc/87/03/46/631870346.db2.gz INGJRPRJIPQEKX-PWSUYJOCSA-N 0 0 273.336 2.525 20 10 CFCDRN CC[C@@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159444 631870596 /nfs/dbraw/zinc/87/05/96/631870596.db2.gz PMOUQODGGBGSGY-CHWSQXEVSA-N 0 0 273.336 2.873 20 10 CFCDRN COC(=O)[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(C)C ZINC000813332971 631905308 /nfs/dbraw/zinc/90/53/08/631905308.db2.gz HFOYFVNIIJIZAE-LBPRGKRZSA-N 0 0 299.798 2.971 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCCC(=O)C1 ZINC000813480434 631924635 /nfs/dbraw/zinc/92/46/35/631924635.db2.gz LTMIBOXLQPMIDO-ZDUSSCGKSA-N 0 0 289.375 2.890 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1(C(F)F)CCCC1 ZINC000813491329 631926424 /nfs/dbraw/zinc/92/64/24/631926424.db2.gz VMNDNZAPKQDLHT-UHFFFAOYSA-N 0 0 285.290 2.540 20 10 CFCDRN CC[C@@H]1CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000813646085 631945933 /nfs/dbraw/zinc/94/59/33/631945933.db2.gz FYDPAVLQWPERQX-CQSZACIVSA-N 0 0 275.396 2.755 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@]2(CCSC2)C1 ZINC000843417320 631949213 /nfs/dbraw/zinc/94/92/13/631949213.db2.gz AWMAUEXRWBCFQX-CQSZACIVSA-N 0 0 299.823 2.754 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000843433593 631958660 /nfs/dbraw/zinc/95/86/60/631958660.db2.gz AKXAYBCFYAQTKM-CYBMUJFWSA-N 0 0 291.391 2.934 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000843433594 631958776 /nfs/dbraw/zinc/95/87/76/631958776.db2.gz AKXAYBCFYAQTKM-ZDUSSCGKSA-N 0 0 291.391 2.934 20 10 CFCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1cccnc1 ZINC000843492806 631967552 /nfs/dbraw/zinc/96/75/52/631967552.db2.gz HJCSKIRHLZJFCP-ZDUSSCGKSA-N 0 0 283.375 2.816 20 10 CFCDRN COc1cccc(O)c1CN1C[C@@H](CO)Cc2ccccc21 ZINC000814170206 632021705 /nfs/dbraw/zinc/02/17/05/632021705.db2.gz UQNDPOAFGWKZSU-ZDUSSCGKSA-N 0 0 299.370 2.572 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=S)NC1CCC1 ZINC000814197506 632032714 /nfs/dbraw/zinc/03/27/14/632032714.db2.gz BHRKGSIVHMCKNA-UHFFFAOYSA-N 0 0 277.437 2.578 20 10 CFCDRN CC1=C(C)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000843832397 632063763 /nfs/dbraw/zinc/06/37/63/632063763.db2.gz WUHJOLSBTKXUGZ-ZDUSSCGKSA-N 0 0 275.348 2.851 20 10 CFCDRN CN(CCC(C)(C)C)C(=O)c1c(F)ccc(O)c1O ZINC000844147257 632127143 /nfs/dbraw/zinc/12/71/43/632127143.db2.gz BNWFFUKFDSRNGL-UHFFFAOYSA-N 0 0 269.316 2.745 20 10 CFCDRN Cc1c(NC(=O)c2cccc(O)c2O)n[nH]c1C(C)C ZINC000844148199 632127426 /nfs/dbraw/zinc/12/74/26/632127426.db2.gz MCWAOVVNZHAPFR-UHFFFAOYSA-N 0 0 275.308 2.505 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(C)C)no2)cc1 ZINC000844353306 632178019 /nfs/dbraw/zinc/17/80/19/632178019.db2.gz MALKZRJUIBDZOI-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN Cc1cc(CN2CCC(F)(F)C2)ccc1N(C)C ZINC000815083772 632198534 /nfs/dbraw/zinc/19/85/34/632198534.db2.gz BIMVQLHGIVTRRX-UHFFFAOYSA-N 0 0 254.324 2.902 20 10 CFCDRN CN(C)c1ccc(OCc2cc3n(n2)CCCC3)cc1 ZINC000844766219 632302791 /nfs/dbraw/zinc/30/27/91/632302791.db2.gz KETGKZCWYPQNFR-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN C/C=C/C=C\C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852512 632322883 /nfs/dbraw/zinc/32/28/83/632322883.db2.gz LTCJOLRGQIVYTI-MDAAKZFYSA-N 0 0 288.391 2.722 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C\C2CC2)cc1 ZINC000844853702 632322999 /nfs/dbraw/zinc/32/29/99/632322999.db2.gz BZOJVPZGMJPCQG-WDZFZDKYSA-N 0 0 288.391 2.556 20 10 CFCDRN CC/C=C(\C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852282 632323118 /nfs/dbraw/zinc/32/31/18/632323118.db2.gz HLXYAOLNBODIJV-VGOFMYFVSA-N 0 0 290.407 2.946 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CC2)cc1 ZINC000844854787 632323701 /nfs/dbraw/zinc/32/37/01/632323701.db2.gz MRRRLUXBJGBHTK-ZDUSSCGKSA-N 0 0 290.407 2.636 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)=C(C)C)cc1 ZINC000844854777 632323793 /nfs/dbraw/zinc/32/37/93/632323793.db2.gz MDWOYUQFQOJDGE-UHFFFAOYSA-N 0 0 290.407 2.946 20 10 CFCDRN O=C(NCc1ccccc1O)NC1CC2(CCC2)C1 ZINC000844934837 632341166 /nfs/dbraw/zinc/34/11/66/632341166.db2.gz ASUNDDBCZRMYKB-UHFFFAOYSA-N 0 0 260.337 2.524 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000844935402 632342094 /nfs/dbraw/zinc/34/20/94/632342094.db2.gz JINAOMQCSJSUCT-WSXGPOFGSA-N 0 0 288.391 2.703 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000844935399 632342206 /nfs/dbraw/zinc/34/22/06/632342206.db2.gz JINAOMQCSJSUCT-LVQRLBQTSA-N 0 0 288.391 2.703 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](F)C2)cc1F ZINC000844935678 632342224 /nfs/dbraw/zinc/34/22/24/632342224.db2.gz UMZDHABYHHVSLV-LBPRGKRZSA-N 0 0 297.349 2.535 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000816029232 632358869 /nfs/dbraw/zinc/35/88/69/632358869.db2.gz YSCLHQDFUAVAJE-MMPOEDRJSA-N 0 0 289.375 2.581 20 10 CFCDRN COC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816516361 632477207 /nfs/dbraw/zinc/47/72/07/632477207.db2.gz CLUDEFNXQSDLGI-LRDDRELGSA-N 0 0 299.370 2.786 20 10 CFCDRN NC(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816524810 632478320 /nfs/dbraw/zinc/47/83/20/632478320.db2.gz SAUDHMNAALSUPJ-UHFFFAOYSA-N 0 0 294.713 2.896 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816550735 632481396 /nfs/dbraw/zinc/48/13/96/632481396.db2.gz ABVSMFPVBNUYFI-ZDUSSCGKSA-N 0 0 273.735 2.701 20 10 CFCDRN CC[C@@H](O)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552768 632483052 /nfs/dbraw/zinc/48/30/52/632483052.db2.gz VVIYSMKZQNPFJN-SNVBAGLBSA-N 0 0 275.751 2.825 20 10 CFCDRN CCOc1ccc(O)c(CN2C[C@H](CO)c3ccccc32)c1 ZINC000816637116 632498468 /nfs/dbraw/zinc/49/84/68/632498468.db2.gz SHFUEWLKHPELLV-CQSZACIVSA-N 0 0 299.370 2.887 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000816650827 632505052 /nfs/dbraw/zinc/50/50/52/632505052.db2.gz FBZLIKUZNMMWPT-LBPRGKRZSA-N 0 0 273.735 2.699 20 10 CFCDRN CCc1nocc1CN(C)Cc1c(O)cccc1OC ZINC000816652676 632505164 /nfs/dbraw/zinc/50/51/64/632505164.db2.gz QHEZIRRILAQHLT-UHFFFAOYSA-N 0 0 276.336 2.583 20 10 CFCDRN CC[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000817216300 632573328 /nfs/dbraw/zinc/57/33/28/632573328.db2.gz UUWXAOMSKSLGMI-XYPYZODXSA-N 0 0 263.337 2.796 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000845833317 632577378 /nfs/dbraw/zinc/57/73/78/632577378.db2.gz FKWMOCUBQFRRQI-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000845833411 632577447 /nfs/dbraw/zinc/57/74/47/632577447.db2.gz KZJFORMBLGFOKY-HUUCEWRRSA-N 0 0 289.375 2.843 20 10 CFCDRN CC(C)(O)C1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000845832615 632577457 /nfs/dbraw/zinc/57/74/57/632577457.db2.gz FPNSEDONZAZPNA-UHFFFAOYSA-N 0 0 291.391 2.586 20 10 CFCDRN CCC[C@@H](C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000845911858 632597099 /nfs/dbraw/zinc/59/70/99/632597099.db2.gz PAUZDOINJYSKBF-CHWSQXEVSA-N 0 0 298.452 2.922 20 10 CFCDRN CCCC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000845931848 632599789 /nfs/dbraw/zinc/59/97/89/632599789.db2.gz TYTKCZAKHLAZNM-LLVKDONJSA-N 0 0 279.380 2.971 20 10 CFCDRN CCN(CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845988489 632608812 /nfs/dbraw/zinc/60/88/12/632608812.db2.gz YFKDHLGQTWZTOP-UHFFFAOYSA-N 0 0 293.411 2.525 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(N(C)C)s2)cc1 ZINC000845999262 632611060 /nfs/dbraw/zinc/61/10/60/632611060.db2.gz VGPGBQFGWCGZCW-UHFFFAOYSA-N 0 0 277.393 2.854 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846008813 632611962 /nfs/dbraw/zinc/61/19/62/632611962.db2.gz QLZNEIIWGAPXNM-UHFFFAOYSA-N 0 0 281.783 2.783 20 10 CFCDRN C[C@H]1C[C@@H](CO)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413253 632624184 /nfs/dbraw/zinc/62/41/84/632624184.db2.gz UWLZOERPYKOJTJ-VHSXEESVSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412109 632624902 /nfs/dbraw/zinc/62/49/02/632624902.db2.gz CZCPZPAHNAZUOX-UWVGGRQHSA-N 0 0 287.762 2.635 20 10 CFCDRN CC(C)n1cc(C(C)(C)NCc2cc(F)ccc2O)nn1 ZINC000817420308 632628657 /nfs/dbraw/zinc/62/86/57/632628657.db2.gz RERBKAWNMOJZSR-UHFFFAOYSA-N 0 0 292.358 2.729 20 10 CFCDRN CCn1cc(N[C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846160260 632649656 /nfs/dbraw/zinc/64/96/56/632649656.db2.gz NNRGCMVGPFXXNW-JTQLQIEISA-N 0 0 261.325 2.790 20 10 CFCDRN COc1cccc([C@@H](C)N[C@@H](C)c2csnn2)c1O ZINC000846174847 632654248 /nfs/dbraw/zinc/65/42/48/632654248.db2.gz UUIQJXGYAZVSMG-BDAKNGLRSA-N 0 0 279.365 2.664 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000846185786 632656832 /nfs/dbraw/zinc/65/68/32/632656832.db2.gz XOMCMTYRZBHNQM-COPLHBTASA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000846208420 632660442 /nfs/dbraw/zinc/66/04/42/632660442.db2.gz JQUGFOFSKLGNCJ-IUCAKERBSA-N 0 0 295.276 2.782 20 10 CFCDRN C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846210731 632661678 /nfs/dbraw/zinc/66/16/78/632661678.db2.gz OPQNTQRRUDOOJT-LLVKDONJSA-N 0 0 294.351 2.504 20 10 CFCDRN Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846225943 632668466 /nfs/dbraw/zinc/66/84/66/632668466.db2.gz RRGNOPQRYSZIEF-HNNXBMFYSA-N 0 0 276.380 2.500 20 10 CFCDRN Cc1cc(C[N@H+](C)CC(=O)[O-])ccc1N1CCCCC1 ZINC000846263572 632676373 /nfs/dbraw/zinc/67/63/73/632676373.db2.gz XNXFLBJPFARUHQ-UHFFFAOYSA-N 0 0 276.380 2.502 20 10 CFCDRN CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000846349717 632693970 /nfs/dbraw/zinc/69/39/70/632693970.db2.gz UZVGJNCWNUZZCL-VXGBXAGGSA-N 0 0 295.404 2.810 20 10 CFCDRN O=C(NC[C@@H]1CC12CCSCC2)C1=CC(=O)CS1 ZINC000817764862 632709171 /nfs/dbraw/zinc/70/91/71/632709171.db2.gz MIWUJGDGMXCPQA-VIFPVBQESA-N 0 0 283.418 2.717 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cc3ccnn3C)cc12 ZINC000817762072 632709322 /nfs/dbraw/zinc/70/93/22/632709322.db2.gz RTWOKBDKTRCCAD-UHFFFAOYSA-N 0 0 297.358 2.677 20 10 CFCDRN CCn1nc(C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000846471825 632714813 /nfs/dbraw/zinc/71/48/13/632714813.db2.gz BFDNXBYTXPVOKT-UHFFFAOYSA-N 0 0 293.754 2.500 20 10 CFCDRN CCC1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474975 632716184 /nfs/dbraw/zinc/71/61/84/632716184.db2.gz DAXAWIUYLCIBNB-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN O=C(CC1(O)CCCCC1)NCc1cc(Cl)ccc1O ZINC000846475788 632716547 /nfs/dbraw/zinc/71/65/47/632716547.db2.gz JKUVRFVNNKKNSV-UHFFFAOYSA-N 0 0 297.782 2.747 20 10 CFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846477479 632717102 /nfs/dbraw/zinc/71/71/02/632717102.db2.gz ULPGPFPWRMVOBK-QMMMGPOBSA-N 0 0 253.729 2.708 20 10 CFCDRN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881047 632717095 /nfs/dbraw/zinc/71/70/95/632717095.db2.gz FIVWHOMSXXBFSJ-MWLCHTKSSA-N 0 0 283.755 2.588 20 10 CFCDRN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CCCCO1 ZINC000846476582 632717518 /nfs/dbraw/zinc/71/75/18/632717518.db2.gz NLSXANQHQJNKBT-AWEZNQCLSA-N 0 0 283.755 2.621 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c(O)c1O ZINC000846579888 632749684 /nfs/dbraw/zinc/74/96/84/632749684.db2.gz XZNWNJUEIDQQTA-CQSZACIVSA-N 0 0 297.301 2.668 20 10 CFCDRN COc1c(C)cc(C(=O)NCCc2ccc(N)cc2)cc1C ZINC000846666422 632768566 /nfs/dbraw/zinc/76/85/66/632768566.db2.gz UPVJLHVUCHZZPY-UHFFFAOYSA-N 0 0 298.386 2.867 20 10 CFCDRN CCn1nc(C)c(CN[C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000818345102 632834035 /nfs/dbraw/zinc/83/40/35/632834035.db2.gz JJFCKIUVRIUBSI-VIFPVBQESA-N 0 0 294.786 2.816 20 10 CFCDRN CC(C)(C)c1ccc(C(=O)NCCc2ccc(N)cc2)nc1 ZINC000818545050 632863398 /nfs/dbraw/zinc/86/33/98/632863398.db2.gz CQQIVAGAEDQFHL-UHFFFAOYSA-N 0 0 297.402 2.934 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000818546127 632863413 /nfs/dbraw/zinc/86/34/13/632863413.db2.gz UXBFUKNLIMHGIK-NSHDSACASA-N 0 0 274.389 2.793 20 10 CFCDRN CCc1ccccc1CC(=O)NCCc1ccc(N)cc1 ZINC000818544887 632863503 /nfs/dbraw/zinc/86/35/03/632863503.db2.gz WECXKERNSJRXCO-UHFFFAOYSA-N 0 0 282.387 2.733 20 10 CFCDRN CCC(CC)[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000818544768 632863701 /nfs/dbraw/zinc/86/37/01/632863701.db2.gz NBIMWEMEXQLRFL-LBPRGKRZSA-N 0 0 262.397 3.000 20 10 CFCDRN Cc1cc(C)cc(OCC(=O)NCCc2ccc(N)cc2)c1 ZINC000818546405 632864442 /nfs/dbraw/zinc/86/44/42/632864442.db2.gz ZCEHXKQOXUCMEN-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccnc(C)c1 ZINC000856729644 635843610 /nfs/dbraw/zinc/84/36/10/635843610.db2.gz OOONNPYEQHGZFA-UHFFFAOYSA-N 0 0 254.333 2.961 20 10 CFCDRN Cc1cc(O)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000818630506 632885457 /nfs/dbraw/zinc/88/54/57/632885457.db2.gz PPTNBROHFBTXEA-CQSZACIVSA-N 0 0 279.380 2.846 20 10 CFCDRN CC[C@@H]1C(=O)NCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000106855667 632986191 /nfs/dbraw/zinc/98/61/91/632986191.db2.gz ABMFKTIGWRANCA-OAHLLOKOSA-N 0 0 290.407 2.534 20 10 CFCDRN Cc1nn(C(C)C)cc1C(=O)N(C)Cc1ccccc1O ZINC000847569591 633002926 /nfs/dbraw/zinc/00/29/26/633002926.db2.gz FVHOEDRFLOXOGY-UHFFFAOYSA-N 0 0 287.363 2.750 20 10 CFCDRN CCOC[C@@H](O)CNc1ccccc1OCC(C)C ZINC000819416758 633154542 /nfs/dbraw/zinc/15/45/42/633154542.db2.gz RAGZZMOTUBIKFO-ZDUSSCGKSA-N 0 0 267.369 2.531 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@H]1C ZINC000819483824 633177710 /nfs/dbraw/zinc/17/77/10/633177710.db2.gz CHEPCHWWBJOWDS-BZPMIXESSA-N 0 0 291.391 2.971 20 10 CFCDRN O[C@@H](CNc1ccccc1OCCF)CC(F)(F)F ZINC000819488570 633180125 /nfs/dbraw/zinc/18/01/25/633180125.db2.gz NKSJUGMIWDRQEN-SECBINFHSA-N 0 0 281.249 2.760 20 10 CFCDRN CC(C)OCC[C@@H](O)CNc1ccccc1OCCF ZINC000819488582 633180338 /nfs/dbraw/zinc/18/03/38/633180338.db2.gz NWCLCJCXXCBVBN-CYBMUJFWSA-N 0 0 285.359 2.623 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000819519870 633199550 /nfs/dbraw/zinc/19/95/50/633199550.db2.gz CDZNBRFACSKVSU-FZMZJTMJSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1noc(CN(C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000848505832 633268346 /nfs/dbraw/zinc/26/83/46/633268346.db2.gz SVJJOTYGMKMQJC-UHFFFAOYSA-N 0 0 287.363 2.594 20 10 CFCDRN CN(C)c1ccc(CNCc2cc3n(n2)CCCC3)cc1 ZINC000848525144 633276299 /nfs/dbraw/zinc/27/62/99/633276299.db2.gz KTAZURDYZUZCNF-UHFFFAOYSA-N 0 0 284.407 2.575 20 10 CFCDRN CC[C@@H]([NH2+]CC1(COC)CC1)c1ccc(F)cc1[O-] ZINC000848561030 633290091 /nfs/dbraw/zinc/29/00/91/633290091.db2.gz OITAMMXMCFZFPR-CYBMUJFWSA-N 0 0 267.344 2.999 20 10 CFCDRN Oc1ccccc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848570837 633292790 /nfs/dbraw/zinc/29/27/90/633292790.db2.gz BWIXEAPCEUOFBG-WCQYABFASA-N 0 0 289.297 2.982 20 10 CFCDRN CCc1cccc(CN2CCCc3n[nH]cc32)c1O ZINC000848907315 633394140 /nfs/dbraw/zinc/39/41/40/633394140.db2.gz LGEIUAWUCKCCTM-UHFFFAOYSA-N 0 0 257.337 2.631 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)c(O)c1O ZINC000819603836 633396565 /nfs/dbraw/zinc/39/65/65/633396565.db2.gz ASJXUZYYXSPZRN-AAEUAGOBSA-N 0 0 275.348 2.572 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CC2(CC2(F)F)C1 ZINC000848922418 633405061 /nfs/dbraw/zinc/40/50/61/633405061.db2.gz QYMNSUVOUALTKC-UHFFFAOYSA-N 0 0 259.683 2.887 20 10 CFCDRN COc1ccc2c(c1)CN(Cc1cccc(OC)c1O)C2 ZINC000848925537 633408454 /nfs/dbraw/zinc/40/84/54/633408454.db2.gz GNXBAOCPGHCNLN-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN CCOc1ccc(O)c(CN(C)[C@@H](C)c2nc(C)no2)c1 ZINC000848925932 633408760 /nfs/dbraw/zinc/40/87/60/633408760.db2.gz NVDLAWZLILIOQD-JTQLQIEISA-N 0 0 291.351 2.675 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000848926173 633409948 /nfs/dbraw/zinc/40/99/48/633409948.db2.gz MMPXUJYBEMXYCQ-GJZGRUSLSA-N 0 0 289.762 2.794 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2ccc(N(C)C)cc2C)n1 ZINC000848926346 633410183 /nfs/dbraw/zinc/41/01/83/633410183.db2.gz VKSGVNCBESLJRC-GFCCVEGCSA-N 0 0 288.395 2.945 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(F)c1 ZINC000115171588 635976974 /nfs/dbraw/zinc/97/69/74/635976974.db2.gz KYTDEILGJCWZRJ-UHFFFAOYSA-N 0 0 290.294 2.601 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)ccc1O)NC1CCCCC1 ZINC000849049695 633481171 /nfs/dbraw/zinc/48/11/71/633481171.db2.gz UPIPNVNFYISTNL-UHFFFAOYSA-N 0 0 281.787 2.992 20 10 CFCDRN CCCCCN1CC(=O)N[C@H]1c1cc(Cl)c(C)cc1O ZINC000849183388 633580326 /nfs/dbraw/zinc/58/03/26/633580326.db2.gz RZZWZXLDAWKGRQ-OAHLLOKOSA-N 0 0 296.798 2.975 20 10 CFCDRN CN(CC1CC1)C(=O)CSc1ncc(Cl)s1 ZINC000849998754 633786132 /nfs/dbraw/zinc/78/61/32/633786132.db2.gz JIIAPSOTIWISLV-UHFFFAOYSA-N 0 0 276.814 2.757 20 10 CFCDRN COC(C)(C)C(=O)CSc1ncc(Cl)s1 ZINC000850000487 633786730 /nfs/dbraw/zinc/78/67/30/633786730.db2.gz WQJWNBVHJRUJAG-UHFFFAOYSA-N 0 0 265.787 2.883 20 10 CFCDRN Cc1c[nH]c(CNc2ccccc2OCCn2ccnc2)n1 ZINC000850208418 633891880 /nfs/dbraw/zinc/89/18/80/633891880.db2.gz MIARIEFXVZRJOT-UHFFFAOYSA-N 0 0 297.362 2.606 20 10 CFCDRN CCOc1ccc(C[NH2+]CCC2CC(OC)C2)c(O)c1 ZINC000850341356 633945826 /nfs/dbraw/zinc/94/58/26/633945826.db2.gz HXCKPNCHGRCSFQ-UHFFFAOYSA-N 0 0 279.380 2.696 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850351398 633950779 /nfs/dbraw/zinc/95/07/79/633950779.db2.gz AZSIOYPCGDTGEJ-CZUORRHYSA-N 0 0 299.422 2.920 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850388622 633972110 /nfs/dbraw/zinc/97/21/10/633972110.db2.gz OGYTYXICZSZQNE-SNVBAGLBSA-N 0 0 287.762 2.683 20 10 CFCDRN Cc1cncc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000850390028 633973302 /nfs/dbraw/zinc/97/33/02/633973302.db2.gz AUKGIVIVBXAIJA-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN COC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850480999 634012383 /nfs/dbraw/zinc/01/23/83/634012383.db2.gz DGQRMAGGNNYXOV-XSRFYTQQSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850481732 634012386 /nfs/dbraw/zinc/01/23/86/634012386.db2.gz JJSLKMWESQZFMS-PSASIEDQSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499192 634019777 /nfs/dbraw/zinc/01/97/77/634019777.db2.gz LBFKIYRIEGEWPT-HUBLWGQQSA-N 0 0 285.395 2.701 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850503468 634021146 /nfs/dbraw/zinc/02/11/46/634021146.db2.gz XDVOKWOAIKPNFP-IUNRRVLSSA-N 0 0 299.411 2.872 20 10 CFCDRN C[C@@H]([NH2+]C/C=C\CO)c1cccc(C(F)(F)F)c1[O-] ZINC000850509078 634024338 /nfs/dbraw/zinc/02/43/38/634024338.db2.gz PBJQXBAPFDWJCN-PKRMOACSSA-N 0 0 275.270 2.610 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1(CO)CC1 ZINC000850516276 634027447 /nfs/dbraw/zinc/02/74/47/634027447.db2.gz UEYJITURIYUDAO-VHSXEESVSA-N 0 0 269.772 2.857 20 10 CFCDRN CC[C@H](NCc1ncccn1)c1ccc(N(C)C)cc1 ZINC000850552164 634049616 /nfs/dbraw/zinc/04/96/16/634049616.db2.gz MISGYBQFHVGKOU-HNNXBMFYSA-N 0 0 270.380 2.784 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nccn1C ZINC000850571983 634056946 /nfs/dbraw/zinc/05/69/46/634056946.db2.gz FXAZUCYWWPVFRQ-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nccn2C)c1 ZINC000850572820 634057232 /nfs/dbraw/zinc/05/72/32/634057232.db2.gz PMQDZXVJHDHOJS-QWRGUYRKSA-N 0 0 275.352 2.546 20 10 CFCDRN Cc1cc(CN2CCO[C@](C)(C(F)F)C2)ccc1N(C)C ZINC000852783995 634834612 /nfs/dbraw/zinc/83/46/12/634834612.db2.gz AJYHMCMBVKWXKU-INIZCTEOSA-N 0 0 298.377 2.917 20 10 CFCDRN CCn1nccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000853239177 634948726 /nfs/dbraw/zinc/94/87/26/634948726.db2.gz BTQOEFIMWODDNY-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN CCOc1cc(NCc2cccc(OC)c2O)c(F)cn1 ZINC000853258898 634953821 /nfs/dbraw/zinc/95/38/21/634953821.db2.gz HXPOFJARHKTPAJ-UHFFFAOYSA-N 0 0 292.310 2.946 20 10 CFCDRN COc1cc(CN(C)Cc2nnc(C)s2)c(O)cc1C ZINC000853619148 635050651 /nfs/dbraw/zinc/05/06/51/635050651.db2.gz SIXPYQWKMFKVLM-UHFFFAOYSA-N 0 0 293.392 2.501 20 10 CFCDRN C[C@]1(C(F)F)CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000853632230 635054522 /nfs/dbraw/zinc/05/45/22/635054522.db2.gz DFFGDBOCQGUAHA-MRXNPFEDSA-N 0 0 297.345 2.737 20 10 CFCDRN Cc1ccnc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853955328 635176257 /nfs/dbraw/zinc/17/62/57/635176257.db2.gz LDONKSAAYFJXKR-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CO[C@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000854135345 635222682 /nfs/dbraw/zinc/22/26/82/635222682.db2.gz ZYQVSMXLAZSGCE-YPMHNXCESA-N 0 0 273.336 2.525 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)F ZINC000112020336 635263051 /nfs/dbraw/zinc/26/30/51/635263051.db2.gz DNZRCFPQOYVTNT-UHFFFAOYSA-N 0 0 274.286 2.663 20 10 CFCDRN C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231104 635265003 /nfs/dbraw/zinc/26/50/03/635265003.db2.gz DUEOLSYEIBXTRW-HTQZYQBOSA-N 0 0 277.195 2.958 20 10 CFCDRN O=C(N[C@H]1CCc2ccccc2C1)C1=CC(=O)CS1 ZINC000854254364 635273160 /nfs/dbraw/zinc/27/31/60/635273160.db2.gz HXOSTMNHAGGAPE-LBPRGKRZSA-N 0 0 273.357 2.741 20 10 CFCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000854271301 635277863 /nfs/dbraw/zinc/27/78/63/635277863.db2.gz BGEOKUVOBUMMIF-MRXNPFEDSA-N 0 0 290.407 2.574 20 10 CFCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000854324748 635289994 /nfs/dbraw/zinc/28/99/94/635289994.db2.gz NZHMRDMDDDUFCK-MRXNPFEDSA-N 0 0 290.407 2.526 20 10 CFCDRN CO[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000855023465 635444341 /nfs/dbraw/zinc/44/43/41/635444341.db2.gz ZFOFQDIMKQQLKX-AWEZNQCLSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(Nc1cncc2c1CCCC2)C1=CC(=O)CS1 ZINC000855200840 635483263 /nfs/dbraw/zinc/48/32/63/635483263.db2.gz GDGGNKUBYAILEF-UHFFFAOYSA-N 0 0 274.345 2.980 20 10 CFCDRN C/C=C(\CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223295 635489266 /nfs/dbraw/zinc/48/92/66/635489266.db2.gz FDYCFMFECVECGU-HIICFIELSA-N 0 0 288.391 2.746 20 10 CFCDRN CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231336 635489702 /nfs/dbraw/zinc/48/97/02/635489702.db2.gz LAZBNGACJFHIJZ-KGLIPLIRSA-N 0 0 290.407 2.826 20 10 CFCDRN CC[C@@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226070 635489744 /nfs/dbraw/zinc/48/97/44/635489744.db2.gz PXGSSQXRFZVPRX-ZIAGYGMSSA-N 0 0 290.407 2.826 20 10 CFCDRN CC[C@H](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226067 635490032 /nfs/dbraw/zinc/49/00/32/635490032.db2.gz PXGSSQXRFZVPRX-KBPBESRZSA-N 0 0 290.407 2.826 20 10 CFCDRN C/C=C/C=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855235097 635490758 /nfs/dbraw/zinc/49/07/58/635490758.db2.gz XBQJFWBQDUHYJD-BJXYNDOHSA-N 0 0 286.375 2.522 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000855953651 635697160 /nfs/dbraw/zinc/69/71/60/635697160.db2.gz FJYQDYTUCZWYRN-YPMHNXCESA-N 0 0 295.404 2.875 20 10 CFCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)c1cccc(O)c1O ZINC000856303889 635780211 /nfs/dbraw/zinc/78/02/11/635780211.db2.gz ABLCLQVJLFVGPA-ZDUSSCGKSA-N 0 0 297.354 2.900 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2)c1 ZINC000114541801 635837387 /nfs/dbraw/zinc/83/73/87/635837387.db2.gz HXYNWPYGFNJMAH-CYBMUJFWSA-N 0 0 299.370 2.896 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CC(C)C2)c1 ZINC000856905466 635879410 /nfs/dbraw/zinc/87/94/10/635879410.db2.gz RYRGIHGURYUKDP-CXQJBGSLSA-N 0 0 292.379 2.807 20 10 CFCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115280016 635981661 /nfs/dbraw/zinc/98/16/61/635981661.db2.gz QDEOCPKVNJSGSO-UHFFFAOYSA-N 0 0 298.386 3.000 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccs1 ZINC000115280046 635982168 /nfs/dbraw/zinc/98/21/68/635982168.db2.gz YRQJONPFXXIJDD-UHFFFAOYSA-N 0 0 288.416 2.981 20 10 CFCDRN Cc1ccoc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115282244 635982924 /nfs/dbraw/zinc/98/29/24/635982924.db2.gz HXAZZFYWLBBCHZ-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN CCc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000857548611 635983530 /nfs/dbraw/zinc/98/35/30/635983530.db2.gz QEDCJHROUSWKBL-UHFFFAOYSA-N 0 0 290.750 2.933 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cncc(F)c1 ZINC000857547574 635983722 /nfs/dbraw/zinc/98/37/22/635983722.db2.gz KOUZCMAGTIAMHL-UHFFFAOYSA-N 0 0 280.686 2.510 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC2)cc1 ZINC000858173810 636147770 /nfs/dbraw/zinc/14/77/70/636147770.db2.gz HUDAAMNMOGSVHN-UHFFFAOYSA-N 0 0 296.370 2.681 20 10 CFCDRN CCn1ccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858189247 636151829 /nfs/dbraw/zinc/15/18/29/636151829.db2.gz OQHVUJBKZLLSOF-UHFFFAOYSA-N 0 0 280.322 2.859 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccncc2)c1 ZINC000858270609 636173284 /nfs/dbraw/zinc/17/32/84/636173284.db2.gz HMSBCIODXJLVLK-ZDUSSCGKSA-N 0 0 299.374 2.526 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CC(C)C)c1 ZINC000858312983 636186134 /nfs/dbraw/zinc/18/61/34/636186134.db2.gz HMWNIJLMFSDGCJ-GFCCVEGCSA-N 0 0 264.369 2.934 20 10 CFCDRN 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CCC(F)(F)CNC(=O)NCc1cc(C)ccc1O ZINC000858802222 636347400 /nfs/dbraw/zinc/34/74/00/636347400.db2.gz FPXJAUMGGXLLTG-UHFFFAOYSA-N 0 0 272.295 2.545 20 10 CFCDRN CCCOCCOC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000859006152 636408138 /nfs/dbraw/zinc/40/81/38/636408138.db2.gz BYJLLFGEXAGOPH-LLVKDONJSA-N 0 0 297.351 2.615 20 10 CFCDRN CCCOCCOC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000859006153 636408749 /nfs/dbraw/zinc/40/87/49/636408749.db2.gz BYJLLFGEXAGOPH-NSHDSACASA-N 0 0 297.351 2.615 20 10 CFCDRN CCN(CCCCC(=O)OC)c1ccc(OC)cc1 ZINC000859174639 636486963 /nfs/dbraw/zinc/48/69/63/636486963.db2.gz BAHPCNZGICTZFM-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN CCO[C@H](CN1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000859216589 636508862 /nfs/dbraw/zinc/50/88/62/636508862.db2.gz CLXRKRPFQBLZON-QGZVFWFLSA-N 0 0 290.407 2.767 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccco1 ZINC000859594206 636616305 /nfs/dbraw/zinc/61/63/05/636616305.db2.gz SUVGSZDHAWBJQO-NSHDSACASA-N 0 0 258.321 2.672 20 10 CFCDRN C[C@]1(CNC(=O)Nc2ccc(N)cc2)C[C@H]2C[C@H]2C1 ZINC000859698620 636656086 /nfs/dbraw/zinc/65/60/86/636656086.db2.gz ZWRTYKXEVREZAC-HBYGRHMLSA-N 0 0 259.353 2.827 20 10 CFCDRN Cc1ccc(F)c(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000116988546 636712761 /nfs/dbraw/zinc/71/27/61/636712761.db2.gz KVZPYTMDGDRRAB-POHAHGRESA-N 0 0 267.350 2.965 20 10 CFCDRN Cc1ccc2nc(CSc3nccs3)cc(=O)n2c1 ZINC000048874407 650281018 /nfs/dbraw/zinc/28/10/18/650281018.db2.gz HQGJINWYEMESFB-UHFFFAOYSA-N 0 0 289.385 2.752 20 10 CFCDRN Nc1nc(CSc2nccs2)nc2ccccc12 ZINC000048875346 650281840 /nfs/dbraw/zinc/28/18/40/650281840.db2.gz BJECKGPQNHIUEW-UHFFFAOYSA-N 0 0 274.374 2.961 20 10 CFCDRN COc1cc(-c2nc3cc(C)ccc3n2C)cc(O)c1O ZINC000048879986 650282044 /nfs/dbraw/zinc/28/20/44/650282044.db2.gz PKNRNNTVEPGDDC-UHFFFAOYSA-N 0 0 284.315 2.969 20 10 CFCDRN CC(C)CCOCCNC(=O)N(C)Cc1ccccc1O ZINC000194502073 636785084 /nfs/dbraw/zinc/78/50/84/636785084.db2.gz AIGPWVHAFIAFAR-UHFFFAOYSA-N 0 0 294.395 2.596 20 10 CFCDRN Cc1ccc(CO[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000860234703 636834877 /nfs/dbraw/zinc/83/48/77/636834877.db2.gz ZVZDWFGWAQKLGT-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000860242999 636835305 /nfs/dbraw/zinc/83/53/05/636835305.db2.gz CCUMFIWNWFOWIE-LSDHHAIUSA-N 0 0 297.354 2.826 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)C(F)(F)F)c1 ZINC000860241641 636835773 /nfs/dbraw/zinc/83/57/73/636835773.db2.gz LURJJIKMKWRINP-MRVPVSSYSA-N 0 0 291.269 2.606 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000860598298 636923231 /nfs/dbraw/zinc/92/32/31/636923231.db2.gz LDAYUKPEXMRSGP-UHFFFAOYSA-N 0 0 298.346 2.690 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2CCC[C@@H]2C)c1O ZINC000187699199 650296349 /nfs/dbraw/zinc/29/63/49/650296349.db2.gz HPESDJGABIOYNL-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H](NC(=O)C12CC(C1)C2)c1ccc(N(C)C)cc1 ZINC000860949851 637029093 /nfs/dbraw/zinc/02/90/93/637029093.db2.gz GIGDGIBWWBHLKX-OPGSHWCFSA-N 0 0 258.365 2.730 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1CC2(CC2)C1 ZINC000862025146 637266146 /nfs/dbraw/zinc/26/61/46/637266146.db2.gz NSBPKDYTKSPUEP-UHFFFAOYSA-N 0 0 282.343 2.747 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1(CCF)CC1 ZINC000862026160 637266155 /nfs/dbraw/zinc/26/61/55/637266155.db2.gz HIEBTQPNRFHHED-UHFFFAOYSA-N 0 0 288.322 2.696 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@H](C)CO1 ZINC000862223480 637290949 /nfs/dbraw/zinc/29/09/49/637290949.db2.gz QEEDUWROJACCDE-GHMZBOCLSA-N 0 0 284.350 2.640 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C)o2)cc1F ZINC000862306335 637319130 /nfs/dbraw/zinc/31/91/30/637319130.db2.gz JELJZQLDDMFZST-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)c(O)c1O ZINC000862437490 637377559 /nfs/dbraw/zinc/37/75/59/637377559.db2.gz GOAAFDIPJBBCHW-UWVGGRQHSA-N 0 0 299.317 2.770 20 10 CFCDRN Cc1cc(O)c(CN2CC3(C2)CCCO3)c(Cl)c1 ZINC000862484326 637399431 /nfs/dbraw/zinc/39/94/31/637399431.db2.gz KCWBRMVJRNUKMB-UHFFFAOYSA-N 0 0 267.756 2.719 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000862529533 637409332 /nfs/dbraw/zinc/40/93/32/637409332.db2.gz MMKDBHPAFFRQDC-QMTHXVAHSA-N 0 0 285.746 2.842 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000862754938 637479715 /nfs/dbraw/zinc/47/97/15/637479715.db2.gz LWKXCZRSOCPMFJ-UONOGXRCSA-N 0 0 259.349 2.753 20 10 CFCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cc(C)ccc1O ZINC000862756417 637480622 /nfs/dbraw/zinc/48/06/22/637480622.db2.gz XUPLKFKGFDGQQJ-DOMZBBRYSA-N 0 0 293.407 2.894 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccnc(C3CC3)c2)c1 ZINC000862757091 637480886 /nfs/dbraw/zinc/48/08/86/637480886.db2.gz HGYZMJQRPIPCEY-UHFFFAOYSA-N 0 0 282.343 2.903 20 10 CFCDRN CCc1c(C(=O)NCc2cc(C)ccc2O)ccn1C ZINC000862756187 637481182 /nfs/dbraw/zinc/48/11/82/637481182.db2.gz SHGOALFYQDHCES-UHFFFAOYSA-N 0 0 272.348 2.532 20 10 CFCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)cnn1C(C)C ZINC000862757712 637481228 /nfs/dbraw/zinc/48/12/28/637481228.db2.gz CJVXTDIAPKALIN-UHFFFAOYSA-N 0 0 287.363 2.716 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2.606 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)CN(C)c2ccc(N)cc2)[C@@H]1C ZINC000863555821 637694447 /nfs/dbraw/zinc/69/44/47/637694447.db2.gz ILZBKIDNWKPHIJ-XJKCOSOUSA-N 0 0 289.423 2.646 20 10 CFCDRN CN(Cc1nccn1CC(F)(F)F)c1ccc(N)cc1 ZINC000863558577 637695910 /nfs/dbraw/zinc/69/59/10/637695910.db2.gz NSJQSSHUOYVFQN-UHFFFAOYSA-N 0 0 284.285 2.664 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557853 637696178 /nfs/dbraw/zinc/69/61/78/637696178.db2.gz XYZLDLYPQIFRAB-CJNGLKHVSA-N 0 0 289.423 2.742 20 10 CFCDRN CC1(C)C[C@@H](CNC(=O)C2=CC(=O)CS2)C(C)(C)O1 ZINC000885837421 637834397 /nfs/dbraw/zinc/83/43/97/637834397.db2.gz RKVYHXZGEWKVND-VIFPVBQESA-N 0 0 283.393 2.777 20 10 CFCDRN CS[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000864054108 637848186 /nfs/dbraw/zinc/84/81/86/637848186.db2.gz RBUITURIVFQPBS-KYZUINATSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)ccc(F)c1F ZINC000864054075 637848402 /nfs/dbraw/zinc/84/84/02/637848402.db2.gz 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293.392 2.762 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000865653846 638490502 /nfs/dbraw/zinc/49/05/02/638490502.db2.gz BWJNSBLAFWGUSD-JTQLQIEISA-N 0 0 282.365 2.533 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000865699622 638523427 /nfs/dbraw/zinc/52/34/27/638523427.db2.gz XHYKOGIEKAFMSY-NWDGAFQWSA-N 0 0 268.288 2.671 20 10 CFCDRN CN(C)c1ccc(CNc2ccn(CCF)n2)cc1F ZINC000865838082 638603682 /nfs/dbraw/zinc/60/36/82/638603682.db2.gz ZIUNNDPNYDTIGI-UHFFFAOYSA-N 0 0 280.322 2.670 20 10 CFCDRN CCOC(=O)c1csc(N2Cc3cccc(O)c3C2)n1 ZINC000866117422 638744896 /nfs/dbraw/zinc/74/48/96/638744896.db2.gz NOIQJIMMQAAJOH-UHFFFAOYSA-N 0 0 290.344 2.546 20 10 CFCDRN CC(C)Cc1nsc(N2Cc3cccc(O)c3C2)n1 ZINC000866117643 638745327 /nfs/dbraw/zinc/74/53/27/638745327.db2.gz QHJJYLFBQHTWAN-UHFFFAOYSA-N 0 0 275.377 2.962 20 10 CFCDRN C[C@@H](NC(=O)NCC1CCCC1)c1ccccc1O ZINC000866161088 638760762 /nfs/dbraw/zinc/76/07/62/638760762.db2.gz JOANAGPXAQNYEO-LLVKDONJSA-N 0 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641242117 /nfs/dbraw/zinc/24/21/17/641242117.db2.gz CYZHUXDXXPPUIB-LBPRGKRZSA-N 0 0 270.332 2.687 20 10 CFCDRN CCCCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000871202666 641242169 /nfs/dbraw/zinc/24/21/69/641242169.db2.gz DJOQJSLJVFPHGG-UHFFFAOYSA-N 0 0 299.374 2.853 20 10 CFCDRN Cc1ccc([C@H](C)C(=O)N2Cc3cccc(O)c3C2)o1 ZINC000871202242 641242225 /nfs/dbraw/zinc/24/22/25/641242225.db2.gz BCFFENXDHBIQBX-NSHDSACASA-N 0 0 271.316 2.940 20 10 CFCDRN C[C@@H]1CCC[C@@H](OCC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202702 641242785 /nfs/dbraw/zinc/24/27/85/641242785.db2.gz LOKFCIFQGMOTPH-TZMCWYRMSA-N 0 0 289.375 2.830 20 10 CFCDRN O=C(CCCc1ccccn1)N1Cc2cccc(O)c2C1 ZINC000871203399 641242804 /nfs/dbraw/zinc/24/28/04/641242804.db2.gz ZSHBJHXBWVERRX-UHFFFAOYSA-N 0 0 282.343 2.652 20 10 CFCDRN O=C(c1ccnn1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871203458 641243290 /nfs/dbraw/zinc/24/32/90/641243290.db2.gz LZJCHQMXRUOOCD-UHFFFAOYSA-N 0 0 297.358 2.860 20 10 CFCDRN Cc1csc([C@H](C)C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000871205160 641244156 /nfs/dbraw/zinc/24/41/56/641244156.db2.gz PPUUSWLPHIAJFI-JTQLQIEISA-N 0 0 288.372 2.803 20 10 CFCDRN CC(C)(C)c1n[nH]cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205650 641244893 /nfs/dbraw/zinc/24/48/93/641244893.db2.gz WORYELKDNVEEPA-UHFFFAOYSA-N 0 0 285.347 2.569 20 10 CFCDRN Cc1noc2ncnc(Sc3nccs3)c12 ZINC000193390308 650649256 /nfs/dbraw/zinc/64/92/56/650649256.db2.gz JXLHUUQYEWFBHM-UHFFFAOYSA-N 0 0 250.308 2.534 20 10 CFCDRN COCc1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846383 641479342 /nfs/dbraw/zinc/47/93/42/641479342.db2.gz YUKFMKIUDOYKEA-UHFFFAOYSA-N 0 0 276.340 2.648 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@@H]2C=C[C@H](C(=O)[O-])C2)cc1C ZINC000871874636 641493219 /nfs/dbraw/zinc/49/32/19/641493219.db2.gz TYOGGSXHZFKIKP-LSDHHAIUSA-N 0 0 289.375 2.903 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000871879292 641495930 /nfs/dbraw/zinc/49/59/30/641495930.db2.gz CNFVJHUJBWFGID-UGFHNGPFSA-N 0 0 289.375 2.601 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N)cc1 ZINC000019274396 641514675 /nfs/dbraw/zinc/51/46/75/641514675.db2.gz PNPRHZYDMYREER-FZMZJTMJSA-N 0 0 262.353 2.803 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872105135 641635757 /nfs/dbraw/zinc/63/57/57/641635757.db2.gz AVQGNFIKTIRKTJ-CMPLNLGQSA-N 0 0 294.351 2.766 20 10 CFCDRN Nc1ccc(Cc2noc(-c3cnn(CC4CC4)c3)n2)cc1 ZINC000872171346 641691283 /nfs/dbraw/zinc/69/12/83/641691283.db2.gz RXRWNBMASMORBP-UHFFFAOYSA-N 0 0 295.346 2.516 20 10 CFCDRN Cc1cc(N(C)Cc2ccccc2O)c2cnn(C)c2n1 ZINC000872495126 641833112 /nfs/dbraw/zinc/83/31/12/641833112.db2.gz MCYDGTAZLYSQQL-UHFFFAOYSA-N 0 0 282.347 2.619 20 10 CFCDRN CN(CCN(C)c1ccc(N)cc1)c1ccccc1 ZINC000019730744 641959011 /nfs/dbraw/zinc/95/90/11/641959011.db2.gz PIFYHIMNELTEEX-UHFFFAOYSA-N 0 0 255.365 2.841 20 10 CFCDRN COCC(C)(C)CCNC(=O)NCc1cc(C)ccc1O ZINC000873119649 642017742 /nfs/dbraw/zinc/01/77/42/642017742.db2.gz MIBBDFZUOIUDKY-UHFFFAOYSA-N 0 0 294.395 2.563 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230939 642084261 /nfs/dbraw/zinc/08/42/61/642084261.db2.gz AJPNXAWPCIADLU-GXTWGEPZSA-N 0 0 284.762 2.559 20 10 CFCDRN C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000124793943 642322950 /nfs/dbraw/zinc/32/29/50/642322950.db2.gz YEDAJXPZTGFAHU-UHFFFAOYSA-N 0 0 277.195 2.740 20 10 CFCDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccn1 ZINC000124798545 642323730 /nfs/dbraw/zinc/32/37/30/642323730.db2.gz ACSSRDVQIQGOCB-UHFFFAOYSA-N 0 0 278.739 2.739 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000124825988 642338057 /nfs/dbraw/zinc/33/80/57/642338057.db2.gz CHSLKHDIGFEOMF-GFCCVEGCSA-N 0 0 257.761 2.806 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccnc1 ZINC000875012334 642576375 /nfs/dbraw/zinc/57/63/75/642576375.db2.gz KFCJOVORXDRHNH-NEPJUHHUSA-N 0 0 285.347 2.909 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccnc1)c1ccccc1O ZINC000875012336 642576553 /nfs/dbraw/zinc/57/65/53/642576553.db2.gz KFCJOVORXDRHNH-NWDGAFQWSA-N 0 0 285.347 2.909 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000125257221 642578449 /nfs/dbraw/zinc/57/84/49/642578449.db2.gz YRXXGBVGJBCIKJ-KBPBESRZSA-N 0 0 289.423 2.940 20 10 CFCDRN Cc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000875054074 642581364 /nfs/dbraw/zinc/58/13/64/642581364.db2.gz HHFSWYXGXPRQKT-UHFFFAOYSA-N 0 0 288.372 2.988 20 10 CFCDRN CO[C@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125335549 642598833 /nfs/dbraw/zinc/59/88/33/642598833.db2.gz SPDRDVJRIPVDCU-GFCCVEGCSA-N 0 0 289.331 2.549 20 10 CFCDRN CC1(C)CCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875353381 642612169 /nfs/dbraw/zinc/61/21/69/642612169.db2.gz VKRGSLGCRNMJFZ-CQSZACIVSA-N 0 0 274.364 2.996 20 10 CFCDRN O=C(NC[C@@H]1CCCCS1)N1Cc2cccc(O)c2C1 ZINC000875482008 642628373 /nfs/dbraw/zinc/62/83/73/642628373.db2.gz VKFILXIIVOLNKZ-LBPRGKRZSA-N 0 0 292.404 2.703 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cnccn1)c1cccnc1 ZINC000875882659 642706119 /nfs/dbraw/zinc/70/61/19/642706119.db2.gz CRJQAEKWRKPGOO-SREVYHEPSA-N 0 0 282.347 2.718 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C(C)=C2CCCC2)c1 ZINC000125796919 642782369 /nfs/dbraw/zinc/78/23/69/642782369.db2.gz QBAWJHVDSICDOX-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COCC(C)(C)CCNC(=O)N(C)Cc1ccccc1O ZINC000876325369 642826523 /nfs/dbraw/zinc/82/65/23/642826523.db2.gz QQQLGPJJFWMVOY-UHFFFAOYSA-N 0 0 294.395 2.596 20 10 CFCDRN Nc1ccc(NC(=O)c2cc3c([nH]2)CCCC3)cc1 ZINC000876503661 642895612 /nfs/dbraw/zinc/89/56/12/642895612.db2.gz BOLXDRQUQTWSHV-UHFFFAOYSA-N 0 0 255.321 2.728 20 10 CFCDRN CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc(N)cc1 ZINC000876504782 642897122 /nfs/dbraw/zinc/89/71/22/642897122.db2.gz WOAKTXAHYYDWNY-UHFFFAOYSA-N 0 0 258.325 2.542 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000086814232 650797457 /nfs/dbraw/zinc/79/74/57/650797457.db2.gz FBOGWWAYTSHDKW-HNNXBMFYSA-N 0 0 276.380 2.582 20 10 CFCDRN CC(C)[N@@H+]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876522794 642902976 /nfs/dbraw/zinc/90/29/76/642902976.db2.gz BZXHQJOLYPPJRT-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN Nc1ccc(CCNC(=O)C2(Nc3ccccc3)CC2)cc1 ZINC000876528468 642906005 /nfs/dbraw/zinc/90/60/05/642906005.db2.gz QEEOCIWKJPBRTO-UHFFFAOYSA-N 0 0 295.386 2.572 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCSC1 ZINC000876573438 642927764 /nfs/dbraw/zinc/92/77/64/642927764.db2.gz REAQVQCFJCEZAS-SECBINFHSA-N 0 0 259.321 2.608 20 10 CFCDRN Cc1cccc2c1C[C@H](C(=O)N(C)Cc1ccccc1O)N2 ZINC000876606081 642942654 /nfs/dbraw/zinc/94/26/54/642942654.db2.gz TUPFOEYHCCCRNY-MRXNPFEDSA-N 0 0 296.370 2.696 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc(F)c1F ZINC000876631885 642951595 /nfs/dbraw/zinc/95/15/95/642951595.db2.gz AIYWZZGKYUVVTI-UHFFFAOYSA-N 0 0 293.317 2.773 20 10 CFCDRN [O-]c1c(CN2CCC[C@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC000876646857 642957136 /nfs/dbraw/zinc/95/71/36/642957136.db2.gz YLNZRXWQYGVPHW-ZDUSSCGKSA-N 0 0 296.361 2.731 20 10 CFCDRN CCCN(Cc1cn(CCC)nn1)Cc1ccccc1O ZINC000876654441 642959893 /nfs/dbraw/zinc/95/98/93/642959893.db2.gz FUJCYJQCCJROEQ-UHFFFAOYSA-N 0 0 288.395 2.806 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000876680713 642970778 /nfs/dbraw/zinc/97/07/78/642970778.db2.gz SQLLGWZGNDBBBE-LBPRGKRZSA-N 0 0 293.317 2.704 20 10 CFCDRN C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1[O-] ZINC000876766274 643001107 /nfs/dbraw/zinc/00/11/07/643001107.db2.gz GVMCSPUNHIQEAF-ZDUSSCGKSA-N 0 0 298.377 2.977 20 10 CFCDRN CSC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876777895 643005295 /nfs/dbraw/zinc/00/52/95/643005295.db2.gz SGOXOACOMAUHPI-SNVBAGLBSA-N 0 0 273.348 2.998 20 10 CFCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1C ZINC000126220723 643054791 /nfs/dbraw/zinc/05/47/91/643054791.db2.gz ZVZXZZBQONJVMQ-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000877010564 643103602 /nfs/dbraw/zinc/10/36/02/643103602.db2.gz DASWXIQNINMNMG-GOSISDBHSA-N 0 0 295.386 2.864 20 10 CFCDRN CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000126299331 643110405 /nfs/dbraw/zinc/11/04/05/643110405.db2.gz NKYPBOQCKCXCTO-CMPLNLGQSA-N 0 0 263.337 2.796 20 10 CFCDRN COc1ccc(O)c(CNCc2nc(Cl)cs2)c1 ZINC000877036864 643114812 /nfs/dbraw/zinc/11/48/12/643114812.db2.gz TXNLTJUZRZDPIG-UHFFFAOYSA-N 0 0 284.768 2.801 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccs1 ZINC000877049963 643120888 /nfs/dbraw/zinc/12/08/88/643120888.db2.gz WGGBYJAKVZPLOF-AWEZNQCLSA-N 0 0 299.342 2.729 20 10 CFCDRN CN(C(=O)C1([C@@H]2CCCCO2)CCC1)c1ccc(N)cc1 ZINC000877074378 643136120 /nfs/dbraw/zinc/13/61/20/643136120.db2.gz IIEKTXFCKOPJTR-HNNXBMFYSA-N 0 0 288.391 2.971 20 10 CFCDRN CCc1nccn1[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877075210 643137324 /nfs/dbraw/zinc/13/73/24/643137324.db2.gz AEDNKNVTKRQBSK-LBPRGKRZSA-N 0 0 286.379 2.642 20 10 CFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1CC(C)C ZINC000877076671 643138583 /nfs/dbraw/zinc/13/85/83/643138583.db2.gz SMOAZZBEAYVRSB-UHFFFAOYSA-N 0 0 286.379 2.706 20 10 CFCDRN CN(C(=O)C[C@H]1OCCc2ccccc21)c1ccc(N)cc1 ZINC000877078657 643139490 /nfs/dbraw/zinc/13/94/90/643139490.db2.gz YHCMASMKOGCEEM-QGZVFWFLSA-N 0 0 296.370 2.936 20 10 CFCDRN C[C@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O ZINC000126344398 643153768 /nfs/dbraw/zinc/15/37/68/643153768.db2.gz BDAZDBCPQBSZJA-VIFPVBQESA-N 0 0 289.356 2.919 20 10 CFCDRN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877124289 643163846 /nfs/dbraw/zinc/16/38/46/643163846.db2.gz VAIQJKJHTMSFSR-AWEZNQCLSA-N 0 0 287.350 2.803 20 10 CFCDRN O=C(N[C@@H]1CCCc2sccc21)c1cccc(O)c1O ZINC000126389820 643190347 /nfs/dbraw/zinc/19/03/47/643190347.db2.gz PHMXCJAZPYKDFO-LLVKDONJSA-N 0 0 289.356 2.967 20 10 CFCDRN Cc1cccc2c1C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N2 ZINC000877256361 643215284 /nfs/dbraw/zinc/21/52/84/643215284.db2.gz TUWPPXURRKSZPU-WBMJQRKESA-N 0 0 296.370 2.915 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000126449297 643227124 /nfs/dbraw/zinc/22/71/24/643227124.db2.gz BIJIRUMWPTWQMQ-OUAUKWLOSA-N 0 0 263.337 2.652 20 10 CFCDRN C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000877316804 643233944 /nfs/dbraw/zinc/23/39/44/643233944.db2.gz PNQFTPAQLLCAHJ-CABCVRRESA-N 0 0 283.318 2.718 20 10 CFCDRN CC1(C)CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000126479182 643240396 /nfs/dbraw/zinc/24/03/96/643240396.db2.gz MKRUVMOCIKHFPI-GFCCVEGCSA-N 0 0 263.337 2.796 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000126511126 643260666 /nfs/dbraw/zinc/26/06/66/643260666.db2.gz ICYUQLZZYRRYBC-JQWIXIFHSA-N 0 0 261.321 2.503 20 10 CFCDRN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465255 643285744 /nfs/dbraw/zinc/28/57/44/643285744.db2.gz SCUCFSYOPRJKAY-NRUUGDAUSA-N 0 0 285.334 2.652 20 10 CFCDRN Cc1ccc(CN[C@@H](C)C(=O)OC2CCCC2)c(O)c1 ZINC000877468548 643288176 /nfs/dbraw/zinc/28/81/76/643288176.db2.gz CHXGLKRMQABGOS-LBPRGKRZSA-N 0 0 277.364 2.665 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc(F)c1F ZINC000877476667 643294472 /nfs/dbraw/zinc/29/44/72/643294472.db2.gz KFPHIORLTYHUSL-LLVKDONJSA-N 0 0 291.297 2.633 20 10 CFCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877479443 643296215 /nfs/dbraw/zinc/29/62/15/643296215.db2.gz CWQKDMTXJVXGDE-MRXNPFEDSA-N 0 0 263.381 2.828 20 10 CFCDRN Cc1ccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c(O)c1 ZINC000877505423 643315815 /nfs/dbraw/zinc/31/58/15/643315815.db2.gz CURVTKOOKMWNSR-ZDUSSCGKSA-N 0 0 263.381 2.684 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc(F)c1F ZINC000877507683 643316779 /nfs/dbraw/zinc/31/67/79/643316779.db2.gz KPXMFMWKDXEHHU-OAHLLOKOSA-N 0 0 283.318 2.673 20 10 CFCDRN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c(O)c1 ZINC000877520294 643324634 /nfs/dbraw/zinc/32/46/34/643324634.db2.gz SBJSPCYSDZMBAL-ZDUSSCGKSA-N 0 0 299.296 2.827 20 10 CFCDRN [O-]c1c(C[NH2+]CCCC2CCOCC2)ccc(F)c1F ZINC000877557614 643358875 /nfs/dbraw/zinc/35/88/75/643358875.db2.gz NRNVZLFRJZCBEW-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000877566324 643365880 /nfs/dbraw/zinc/36/58/80/643365880.db2.gz XXGIYBVGWBSXAB-SKDRFNHKSA-N 0 0 271.307 2.527 20 10 CFCDRN CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877573651 643372208 /nfs/dbraw/zinc/37/22/08/643372208.db2.gz TWKGALVMPFRIKN-NSHDSACASA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1cccc(O)c1CN[C@H](C)C(=O)OCc1ccccc1 ZINC000877616456 643402635 /nfs/dbraw/zinc/40/26/35/643402635.db2.gz JTLKVNVYZKIEKI-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CSC2)c1 ZINC000877634605 643418676 /nfs/dbraw/zinc/41/86/76/643418676.db2.gz NHSSBBJFBQOATQ-UHFFFAOYSA-N 0 0 288.210 2.668 20 10 CFCDRN CCC(F)(F)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877655060 643435841 /nfs/dbraw/zinc/43/58/41/643435841.db2.gz MRRAYWSAKVPMEG-UHFFFAOYSA-N 0 0 298.377 2.783 20 10 CFCDRN CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000877673782 643448000 /nfs/dbraw/zinc/44/80/00/643448000.db2.gz IKXWARFYKGTNDI-CYBMUJFWSA-N 0 0 296.798 2.536 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877682083 643451546 /nfs/dbraw/zinc/45/15/46/643451546.db2.gz LNQPTCIPEWLBAM-QGJZQDQRSA-N 0 0 279.767 2.559 20 10 CFCDRN COCC1(C2CC2)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000877686000 643454366 /nfs/dbraw/zinc/45/43/66/643454366.db2.gz JRLWPBBMWPKFAH-UHFFFAOYSA-N 0 0 281.783 2.904 20 10 CFCDRN CC1CC(n2nnc3c2CN(Cc2ccccc2O)CC3)C1 ZINC000877692722 643458236 /nfs/dbraw/zinc/45/82/36/643458236.db2.gz PZJXZURUGSDUIW-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN COc1cc(C)c(CN2Cc3cccc(O)c3C2)c(C)n1 ZINC000877703259 643469348 /nfs/dbraw/zinc/46/93/48/643469348.db2.gz YPCLSUIAHDXENW-UHFFFAOYSA-N 0 0 284.359 2.928 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc(F)c1F ZINC000877737991 643500315 /nfs/dbraw/zinc/50/03/15/643500315.db2.gz MBDVXNRIKJFOIN-QWRGUYRKSA-N 0 0 285.359 2.855 20 10 CFCDRN Cc1c(Cl)c(CN[C@H](C)c2ccccc2O)nn1C ZINC000877755494 643535890 /nfs/dbraw/zinc/53/58/90/643535890.db2.gz CPZWUPHYKLBCTE-SECBINFHSA-N 0 0 279.771 2.938 20 10 CFCDRN O=C1N[C@H](c2cc(F)ccc2O)Nc2cc(F)c(F)cc21 ZINC000877859715 643609272 /nfs/dbraw/zinc/60/92/72/643609272.db2.gz UOBMCMFRCMATET-CYBMUJFWSA-N 0 0 294.232 2.664 20 10 CFCDRN COc1ccc(O)c([C@@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877865205 643613585 /nfs/dbraw/zinc/61/35/85/643613585.db2.gz XWZLVFCDIITEPM-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN c1cn(Cc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000877887212 643623900 /nfs/dbraw/zinc/62/39/00/643623900.db2.gz OHSVDJWYXISIOF-UHFFFAOYSA-N 0 0 283.375 2.645 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2c[nH]cc2C2CC2)cc1 ZINC000877978292 643675838 /nfs/dbraw/zinc/67/58/38/643675838.db2.gz JBJOQMNNKJPUDB-UHFFFAOYSA-N 0 0 283.375 2.888 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1F ZINC000878530998 643929347 /nfs/dbraw/zinc/92/93/47/643929347.db2.gz DDJZYECKZOMRQM-KBPBESRZSA-N 0 0 290.382 2.944 20 10 CFCDRN Cc1coc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000878531586 643930412 /nfs/dbraw/zinc/93/04/12/643930412.db2.gz NMGQEQJKCULNOV-UHFFFAOYSA-N 0 0 276.311 2.723 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000246681025 650879867 /nfs/dbraw/zinc/87/98/67/650879867.db2.gz HAYVSMFYSCAMRJ-AULYBMBSSA-N 0 0 292.379 2.779 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(F)nc2)cc1 ZINC000127347334 644031517 /nfs/dbraw/zinc/03/15/17/644031517.db2.gz IOZGISSKMNGHRB-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN Cc1coc(C(=O)NCCCSc2nccs2)c1 ZINC000878834139 644043353 /nfs/dbraw/zinc/04/33/53/644043353.db2.gz MDKBRNLOPZSPFB-UHFFFAOYSA-N 0 0 282.390 2.957 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(C2CC2)o1 ZINC000878863734 644054568 /nfs/dbraw/zinc/05/45/68/644054568.db2.gz DGKIALIYIBIQQS-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NC3CC=CC3)ccc21 ZINC000127593925 644178021 /nfs/dbraw/zinc/17/80/21/644178021.db2.gz TURXGDIJWRUVGH-UHFFFAOYSA-N 0 0 285.391 2.587 20 10 CFCDRN CCCCc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879647896 644361450 /nfs/dbraw/zinc/36/14/50/644361450.db2.gz PJSAYTOHGHCJFM-LLVKDONJSA-N 0 0 275.352 2.969 20 10 CFCDRN COC(=O)c1ccoc1CN[C@H](C)c1ccccc1O ZINC000879649259 644363202 /nfs/dbraw/zinc/36/32/02/644363202.db2.gz OMPUGOJDJAWLHO-SNVBAGLBSA-N 0 0 275.304 2.623 20 10 CFCDRN C[C@@H](NCc1nc(C(F)F)no1)c1ccccc1O ZINC000879649526 644363470 /nfs/dbraw/zinc/36/34/70/644363470.db2.gz VOSSMHNMUNSVQC-SSDOTTSWSA-N 0 0 269.251 2.564 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000879651087 644364662 /nfs/dbraw/zinc/36/46/62/644364662.db2.gz HQIFFLKNPRLWEF-NWDGAFQWSA-N 0 0 265.353 2.775 20 10 CFCDRN CCCCc1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879653375 644366039 /nfs/dbraw/zinc/36/60/39/644366039.db2.gz PJSAYTOHGHCJFM-NSHDSACASA-N 0 0 275.352 2.969 20 10 CFCDRN COc1ccc(CNC(=O)c2c[nH]cc2C2CC2)c(O)c1 ZINC000879846545 644444552 /nfs/dbraw/zinc/44/45/52/644444552.db2.gz DYRADLACZIVJCC-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000248337197 650930987 /nfs/dbraw/zinc/93/09/87/650930987.db2.gz HIFRRWZSAFYVSN-APAOZMKASA-N 0 0 275.348 2.624 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000248612951 650940135 /nfs/dbraw/zinc/94/01/35/650940135.db2.gz YBCSAZARJXBSDE-SCRDCRAPSA-N 0 0 291.391 2.971 20 10 CFCDRN CCCCCn1cc(COc2ccc(N)cc2)nn1 ZINC000880952787 644883425 /nfs/dbraw/zinc/88/34/25/644883425.db2.gz ZHAOKUQYKOFODE-UHFFFAOYSA-N 0 0 260.341 2.630 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(F)F ZINC000881282399 644942986 /nfs/dbraw/zinc/94/29/86/644942986.db2.gz HUIWONHJXPUGAW-NSHDSACASA-N 0 0 295.333 2.516 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(F)cc1[O-] ZINC000094798035 650964064 /nfs/dbraw/zinc/96/40/64/650964064.db2.gz XKTFFKPGERRGLN-QMTHXVAHSA-N 0 0 253.317 2.751 20 10 CFCDRN Nc1ccc(OCc2cn(CCCC3CC3)nn2)cc1 ZINC000881322687 644952730 /nfs/dbraw/zinc/95/27/30/644952730.db2.gz KQTZDGWOICQECS-UHFFFAOYSA-N 0 0 272.352 2.630 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440482 644975370 /nfs/dbraw/zinc/97/53/70/644975370.db2.gz CQASDTDFHBVMPT-WDMOLILDSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440480 644975668 /nfs/dbraw/zinc/97/56/68/644975668.db2.gz CQASDTDFHBVMPT-SUNKGSAMSA-N 0 0 299.374 2.659 20 10 CFCDRN CC1(CNC(=O)C2=CC(=O)CS2)CC(F)(F)C1 ZINC000881524586 645018663 /nfs/dbraw/zinc/01/86/63/645018663.db2.gz WHLVBWHYMMPTDF-UHFFFAOYSA-N 0 0 261.293 2.619 20 10 CFCDRN O=C(NCC[C@@H]1CCCC1(F)F)c1cccc(O)c1O ZINC000881582173 645056739 /nfs/dbraw/zinc/05/67/39/645056739.db2.gz CSXJKFNSXSCMBQ-VIFPVBQESA-N 0 0 285.290 2.653 20 10 CFCDRN CC(C)COC(=O)N(C)CSc1nccs1 ZINC000882109121 645205231 /nfs/dbraw/zinc/20/52/31/645205231.db2.gz HWPPFLIRDITIPC-UHFFFAOYSA-N 0 0 260.384 2.917 20 10 CFCDRN COCCOC(=O)N(C)CSc1ncc(Cl)s1 ZINC000882238357 645250169 /nfs/dbraw/zinc/25/01/69/645250169.db2.gz NEUOQTVICYXUFC-UHFFFAOYSA-N 0 0 296.801 2.561 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccco2)cc1 ZINC000212370441 645354882 /nfs/dbraw/zinc/35/48/82/645354882.db2.gz UULPECSYLVPTJY-KTKRTIGZSA-N 0 0 270.332 2.675 20 10 CFCDRN Cc1nc2nc(C)cc(N[C@@H](C)c3ccccc3O)n2n1 ZINC000882703370 645421271 /nfs/dbraw/zinc/42/12/71/645421271.db2.gz AJWYXQHISRMPMF-JTQLQIEISA-N 0 0 283.335 2.620 20 10 CFCDRN CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000882879559 645488302 /nfs/dbraw/zinc/48/83/02/645488302.db2.gz BXDFYRJBOLOORK-ZDUSSCGKSA-N 0 0 296.317 2.656 20 10 CFCDRN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882887614 645492136 /nfs/dbraw/zinc/49/21/36/645492136.db2.gz AJAAOGHRDXRBLK-CYBMUJFWSA-N 0 0 293.317 2.571 20 10 CFCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882887615 645492344 /nfs/dbraw/zinc/49/23/44/645492344.db2.gz AJAAOGHRDXRBLK-ZDUSSCGKSA-N 0 0 293.317 2.571 20 10 CFCDRN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882979450 645538708 /nfs/dbraw/zinc/53/87/08/645538708.db2.gz AGLCJCDTQWLBID-JTQLQIEISA-N 0 0 295.333 2.601 20 10 CFCDRN CCC(CC)(CCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026148 645568127 /nfs/dbraw/zinc/56/81/27/645568127.db2.gz KDOXPRFUZIXMKX-UHFFFAOYSA-N 0 0 287.350 2.949 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000883027152 645569310 /nfs/dbraw/zinc/56/93/10/645569310.db2.gz QFJYOBQFSQACKE-CQSZACIVSA-N 0 0 285.334 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000883043941 645579506 /nfs/dbraw/zinc/57/95/06/645579506.db2.gz BSRVWGSLDLTFCB-BNOWGMLFSA-N 0 0 283.318 2.718 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C2CCC2)c1 ZINC000130858157 645584210 /nfs/dbraw/zinc/58/42/10/645584210.db2.gz DIRWSBNIACVWAI-QWRGUYRKSA-N 0 0 292.379 2.950 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000883088931 645600221 /nfs/dbraw/zinc/60/02/21/645600221.db2.gz VBSGRGKTEIMDGK-TZMCWYRMSA-N 0 0 283.318 2.718 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cc2n(n1)CCCC2 ZINC000883118672 645611194 /nfs/dbraw/zinc/61/11/94/645611194.db2.gz CDFNWUOVDSZXEN-UHFFFAOYSA-N 0 0 279.290 2.815 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(C)C ZINC000883147038 645625510 /nfs/dbraw/zinc/62/55/10/645625510.db2.gz ILRNOMMNIFOYDB-LBPRGKRZSA-N 0 0 273.323 2.821 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883158725 645631760 /nfs/dbraw/zinc/63/17/60/645631760.db2.gz PYBRMSDQNMVQHX-VIFPVBQESA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000883198010 645657492 /nfs/dbraw/zinc/65/74/92/645657492.db2.gz XZISKQUNXQEVQK-GFCCVEGCSA-N 0 0 297.345 2.967 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000883197423 645657740 /nfs/dbraw/zinc/65/77/40/645657740.db2.gz LJSVNJNOIVCBOP-VXNVDRBHSA-N 0 0 267.197 2.711 20 10 CFCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])OC1 ZINC000883243857 645692394 /nfs/dbraw/zinc/69/23/94/645692394.db2.gz ZCHUQIBACCRFBC-ZDUSSCGKSA-N 0 0 294.351 2.595 20 10 CFCDRN C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000131318556 645696540 /nfs/dbraw/zinc/69/65/40/645696540.db2.gz GXYRJOLGPDVTOW-TXEJJXNPSA-N 0 0 293.386 2.974 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000883319639 645737158 /nfs/dbraw/zinc/73/71/58/645737158.db2.gz KGBYTHHEJLVJLE-ATZCPNFKSA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccc(O)c(CN2CCc3ccccc32)c1 ZINC000131795321 645817625 /nfs/dbraw/zinc/81/76/25/645817625.db2.gz WWHJOTQFMAFLSP-UHFFFAOYSA-N 0 0 255.317 2.964 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1F ZINC000131909095 645849387 /nfs/dbraw/zinc/84/93/87/645849387.db2.gz ITLZEASVQFYZAC-CQSZACIVSA-N 0 0 280.387 2.893 20 10 CFCDRN C[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1O ZINC000132181338 645888964 /nfs/dbraw/zinc/88/89/64/645888964.db2.gz NPORTKZGDXPOPY-ZJUUUORDSA-N 0 0 255.745 2.655 20 10 CFCDRN CC1(C)C[C@H]1C(=O)NCCCSc1nccs1 ZINC000132752904 645960062 /nfs/dbraw/zinc/96/00/62/645960062.db2.gz ABJPIRGBDKPOAD-VIFPVBQESA-N 0 0 270.423 2.788 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(C)C ZINC000883890036 646024111 /nfs/dbraw/zinc/02/41/11/646024111.db2.gz ZJSLVBXDXVSEMC-MRXNPFEDSA-N 0 0 276.380 2.970 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](Cc2nccs2)C1 ZINC000890212360 646093543 /nfs/dbraw/zinc/09/35/43/646093543.db2.gz HXRWMHTUYDMVMR-SECBINFHSA-N 0 0 294.401 2.615 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2ncccc2c1 ZINC000133832787 646238845 /nfs/dbraw/zinc/23/88/45/646238845.db2.gz JTOZHIHSOJJHHR-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN CN(CCCF)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000884167849 646249718 /nfs/dbraw/zinc/24/97/18/646249718.db2.gz PYRSLYIFTVLCMU-UHFFFAOYSA-N 0 0 291.370 2.564 20 10 CFCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1O ZINC000134240927 646314269 /nfs/dbraw/zinc/31/42/69/646314269.db2.gz MDVFGLQEGAPMTH-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN Cc1cc(F)cc(C(=O)NCc2ccccc2O)c1 ZINC000135358760 646521041 /nfs/dbraw/zinc/52/10/41/646521041.db2.gz FYKVEBSGSOIKIH-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)c(F)cc1F ZINC000135650863 646568975 /nfs/dbraw/zinc/56/89/75/646568975.db2.gz WHKYBKGBNFTRDR-UHFFFAOYSA-N 0 0 277.270 2.909 20 10 CFCDRN C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000136402476 646787054 /nfs/dbraw/zinc/78/70/54/646787054.db2.gz IRDAPLSEUSHHEW-SCZZXKLOSA-N 0 0 270.170 2.900 20 10 CFCDRN C[C@H](NCc1nccs1)c1c(O)cccc1F ZINC000886508973 647022859 /nfs/dbraw/zinc/02/28/59/647022859.db2.gz VREAWFMFYVJREJ-QMMMGPOBSA-N 0 0 252.314 2.839 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886532478 647032547 /nfs/dbraw/zinc/03/25/47/647032547.db2.gz JRFJZRDRLYMDPX-GARJFASQSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1c([O-])cccc1F ZINC000886533058 647033433 /nfs/dbraw/zinc/03/34/33/647033433.db2.gz UDXVVVGMXRQSAJ-GRYCIOLGSA-N 0 0 266.360 2.665 20 10 CFCDRN COCCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886553691 647045665 /nfs/dbraw/zinc/04/56/65/647045665.db2.gz SYRLIGQGTVAVPQ-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]CC1(CO)CCCC1)c1c([O-])cccc1F ZINC000886594938 647059488 /nfs/dbraw/zinc/05/94/88/647059488.db2.gz XJDANPPNQBGBNZ-NSHDSACASA-N 0 0 267.344 2.735 20 10 CFCDRN CC(C)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886598833 647061317 /nfs/dbraw/zinc/06/13/17/647061317.db2.gz KXJBQSBXOOHEBI-YGRLFVJLSA-N 0 0 269.360 2.977 20 10 CFCDRN C[C@@H](N[C@H]1CCn2ccnc21)c1c(O)cccc1F ZINC000886615413 647069309 /nfs/dbraw/zinc/06/93/09/647069309.db2.gz FUIDKPFOKCPHHL-KOLCDFICSA-N 0 0 261.300 2.523 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1c([O-])cccc1F ZINC000886617494 647070473 /nfs/dbraw/zinc/07/04/73/647070473.db2.gz POTYDFKRZRNEKK-VHSXEESVSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886617642 647070528 /nfs/dbraw/zinc/07/05/28/647070528.db2.gz UVESKKPDHHKNIN-SKDRFNHKSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886617639 647070935 /nfs/dbraw/zinc/07/09/35/647070935.db2.gz UVESKKPDHHKNIN-BXKDBHETSA-N 0 0 253.317 2.749 20 10 CFCDRN CC[C@](C)(C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886619222 647071524 /nfs/dbraw/zinc/07/15/24/647071524.db2.gz XBGSHWGNPLPQQM-QMTHXVAHSA-N 0 0 255.333 2.997 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886620962 647072178 /nfs/dbraw/zinc/07/21/78/647072178.db2.gz XPRDBAVWPMDSMK-WMFXKJRFSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886620557 647072558 /nfs/dbraw/zinc/07/25/58/647072558.db2.gz MZAWGFYBPDQMEB-GHMZBOCLSA-N 0 0 277.343 2.547 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886623394 647073278 /nfs/dbraw/zinc/07/32/78/647073278.db2.gz CNVRWLCNYPWVMN-OUAUKWLOSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c([O-])cccc1F ZINC000886631141 647077762 /nfs/dbraw/zinc/07/77/62/647077762.db2.gz DOPBJJHWCYKNLW-MRGUHSIWSA-N 0 0 251.301 2.502 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886632803 647078774 /nfs/dbraw/zinc/07/87/74/647078774.db2.gz FUPHXUJJMSYWES-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886639769 647082123 /nfs/dbraw/zinc/08/21/23/647082123.db2.gz LNSWDFZUEMTARW-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799954 647143348 /nfs/dbraw/zinc/14/33/48/647143348.db2.gz ZWHINSMUTFVYAE-GWCFXTLKSA-N 0 0 290.329 2.717 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@@H](CCO)C(F)(F)F)c(O)c1 ZINC000886802180 647144671 /nfs/dbraw/zinc/14/46/71/647144671.db2.gz ZZFGLBHOZZPVMC-SKDRFNHKSA-N 0 0 277.286 2.665 20 10 CFCDRN CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(F)cc1O ZINC000886803347 647145509 /nfs/dbraw/zinc/14/55/09/647145509.db2.gz HWPDYGGFCYMSQL-ZYHUDNBSSA-N 0 0 295.276 2.885 20 10 CFCDRN CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(F)cc1O ZINC000886803344 647145588 /nfs/dbraw/zinc/14/55/88/647145588.db2.gz HWPDYGGFCYMSQL-CMPLNLGQSA-N 0 0 295.276 2.885 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC(F)(F)C(F)F)cc1 ZINC000887767807 647408379 /nfs/dbraw/zinc/40/83/79/647408379.db2.gz XVDDRKRVOUTMQT-UHFFFAOYSA-N 0 0 292.276 2.659 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@H]2CC(C)(C)CO2)cc1 ZINC000887767728 647408749 /nfs/dbraw/zinc/40/87/49/647408749.db2.gz VACBFAYRQZMXTO-HNNXBMFYSA-N 0 0 290.407 2.574 20 10 CFCDRN C[C@]12CN(C(=O)c3cccc(O)c3O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883520 647430827 /nfs/dbraw/zinc/43/08/27/647430827.db2.gz QGMJKASRUAIEMA-IANATYFASA-N 0 0 287.359 2.606 20 10 CFCDRN O=C(NCc1ccccc1O)NC1CCC=CCC1 ZINC000888016701 647464522 /nfs/dbraw/zinc/46/45/22/647464522.db2.gz WLPCXUVXNHRRRC-UHFFFAOYSA-N 0 0 260.337 2.690 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1[O-] ZINC000927101699 648712094 /nfs/dbraw/zinc/71/20/94/648712094.db2.gz LZDKUCIDIYNWIA-SNVBAGLBSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000927232941 648742551 /nfs/dbraw/zinc/74/25/51/648742551.db2.gz QGZCFIZOJYLQMD-PWSUYJOCSA-N 0 0 292.404 2.702 20 10 CFCDRN O=C(NCc1nccc2c1CCCC2)C1=CC(=O)CS1 ZINC000927610632 648806082 /nfs/dbraw/zinc/80/60/82/648806082.db2.gz YYFPCUIZNFWHCS-UHFFFAOYSA-N 0 0 288.372 2.658 20 10 CFCDRN Cn1cc(C(=O)NCc2ccc(N)cc2)c(C2CCCC2)n1 ZINC000927767290 648829543 /nfs/dbraw/zinc/82/95/43/648829543.db2.gz DGLRMGIPOQOPLX-UHFFFAOYSA-N 0 0 298.390 2.590 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1occ2c1CCC2 ZINC000928704901 648943910 /nfs/dbraw/zinc/94/39/10/648943910.db2.gz AUGRVKJZQVAMJF-UHFFFAOYSA-N 0 0 275.279 2.543 20 10 CFCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928706008 648944533 /nfs/dbraw/zinc/94/45/33/648944533.db2.gz NKQJOOXLGMGUSK-ZUZCIYMTSA-N 0 0 265.328 2.974 20 10 CFCDRN Cc1c(C(=O)NCc2c(O)cccc2F)cnn1C(C)C ZINC000928705871 648944628 /nfs/dbraw/zinc/94/46/28/648944628.db2.gz OONRJCRIRYTSBK-UHFFFAOYSA-N 0 0 291.326 2.547 20 10 CFCDRN O=C(CCCC(F)(F)F)NCc1c(O)cccc1F ZINC000928705241 648944990 /nfs/dbraw/zinc/94/49/90/648944990.db2.gz ICZPDEOQMVXUPJ-UHFFFAOYSA-N 0 0 279.233 2.880 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928706627 648945525 /nfs/dbraw/zinc/94/55/25/648945525.db2.gz SNUIQAMVXZAUKZ-MNOVXSKESA-N 0 0 265.328 2.974 20 10 CFCDRN CCC[C@H]1C[C@@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000928709196 648946104 /nfs/dbraw/zinc/94/61/04/648946104.db2.gz YEUNSJMLYVCJTE-RYUDHWBXSA-N 0 0 295.354 2.743 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC2(C)CC2)cc1 ZINC000929403656 649045177 /nfs/dbraw/zinc/04/51/77/649045177.db2.gz IUFSVDMKDDPEMK-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000929402810 649045539 /nfs/dbraw/zinc/04/55/39/649045539.db2.gz DTIKQLZMKPIMRN-ZDUSSCGKSA-N 0 0 298.386 2.878 20 10 CFCDRN CCOc1ccc(N(CC)CCO[C@@H]2CCOC2)cc1 ZINC000929913493 649149181 /nfs/dbraw/zinc/14/91/81/649149181.db2.gz MZCQMWPEQPPFDK-MRXNPFEDSA-N 0 0 279.380 2.717 20 10 CFCDRN COc1ccc(N(CCO[C@H]2CCOC2)C(C)C)cc1F ZINC000929952606 649155328 /nfs/dbraw/zinc/15/53/28/649155328.db2.gz YINIBBWGPLTUBC-AWEZNQCLSA-N 0 0 297.370 2.855 20 10 CFCDRN Cc1nnsc1[C@H](C)N(C)Cc1ccccc1O ZINC000929976831 649159400 /nfs/dbraw/zinc/15/94/00/649159400.db2.gz QMJOMJVBYNUSTF-JTQLQIEISA-N 0 0 263.366 2.745 20 10 CFCDRN CCc1ncc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000930092794 649183150 /nfs/dbraw/zinc/18/31/50/649183150.db2.gz FBAMLFZCRSZSHI-UHFFFAOYSA-N 0 0 260.293 2.602 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)cc1C ZINC000930290257 649222527 /nfs/dbraw/zinc/22/25/27/649222527.db2.gz ZLOHCOBWWNGTMQ-SOFGYWHQSA-N 0 0 269.348 2.713 20 10 CFCDRN Cc1cc(CN2CC[C@H]2C(F)F)ccc1N(C)C ZINC000931428534 649424638 /nfs/dbraw/zinc/42/46/38/649424638.db2.gz PQYSTZMYUZLAIA-ZDUSSCGKSA-N 0 0 254.324 2.900 20 10 CFCDRN CC[C@@H](C)[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000931554030 649453694 /nfs/dbraw/zinc/45/36/94/649453694.db2.gz KFHWQSOZKXTCAH-JTNHKYCSSA-N 0 0 265.353 2.631 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1cn(C)cn1 ZINC000934706108 649818253 /nfs/dbraw/zinc/81/82/53/649818253.db2.gz DGYXGQANFXTTIS-CMDGGOBGSA-N 0 0 299.374 2.578 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000098122233 651070308 /nfs/dbraw/zinc/07/03/08/651070308.db2.gz SHKDTRASODGXBW-RYUDHWBXSA-N 0 0 264.369 2.968 20 10 CFCDRN CN(C)c1ccc(C[N@H+](Cc2cncnc2)C2CC2)cc1 ZINC000271037275 651198750 /nfs/dbraw/zinc/19/87/50/651198750.db2.gz GOXSVFWMHJGRJF-UHFFFAOYSA-N 0 0 282.391 2.707 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnn(C(C)(C)C)c1 ZINC001243562651 782280810 /nfs/dbraw/zinc/28/08/10/782280810.db2.gz MZWHPNBIPXVSGM-UHFFFAOYSA-N 0 0 299.378 2.696 20 10 CFCDRN Cc1ccc(C)c(CN2CC(F)(F)CC[C@H]2CO)c1O ZINC001140178731 770260639 /nfs/dbraw/zinc/26/06/39/770260639.db2.gz VWCNEOLMHZBDIZ-LBPRGKRZSA-N 0 0 285.334 2.601 20 10 CFCDRN [O-]c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC001206769742 769887490 /nfs/dbraw/zinc/88/74/90/769887490.db2.gz DUEBYFQVNPJHLR-NSHDSACASA-N 0 0 269.772 2.952 20 10 CFCDRN C[C@]1(F)CCN(Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057833 770114533 /nfs/dbraw/zinc/11/45/33/770114533.db2.gz PJXATCQLWDUSDB-STQMWFEESA-N 0 0 259.271 2.803 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@]1(C)O ZINC001140057722 770114834 /nfs/dbraw/zinc/11/48/34/770114834.db2.gz LGGRUDZDDRRXDU-XHDPSFHLSA-N 0 0 267.344 2.514 20 10 CFCDRN CCCOc1cncc(NC(=O)C2=CC(=O)CS2)c1 ZINC001167271713 770193475 /nfs/dbraw/zinc/19/34/75/770193475.db2.gz ANMFYSGKQBIBFB-UHFFFAOYSA-N 0 0 278.333 2.890 20 10 CFCDRN COc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001167290774 770222031 /nfs/dbraw/zinc/22/20/31/770222031.db2.gz KCFKHRSTIYLFHH-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN CC(C)c1ccc(CN2CCNCC(F)(F)C2)c(O)c1 ZINC001211347015 770487332 /nfs/dbraw/zinc/48/73/32/770487332.db2.gz LFMYYBBMTYVWCI-UHFFFAOYSA-N 0 0 284.350 2.556 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCO2 ZINC000588405412 770534603 /nfs/dbraw/zinc/53/46/03/770534603.db2.gz OFFQXEUEEBWDKG-KXFIGUGUSA-N 0 0 297.310 2.685 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)ccc1O ZINC000588407630 770546950 /nfs/dbraw/zinc/54/69/50/770546950.db2.gz QHTDZALLOIDMFR-KXFIGUGUSA-N 0 0 289.262 2.594 20 10 CFCDRN CC/C=C(/C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000157824266 770597482 /nfs/dbraw/zinc/59/74/82/770597482.db2.gz BERLPOSHIYXVCY-SDKXAQGSSA-N 0 0 263.337 2.934 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000724015122 770752043 /nfs/dbraw/zinc/75/20/43/770752043.db2.gz UORNFAXEAHUWQB-WCQYABFASA-N 0 0 285.334 2.965 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc(F)c(Cl)c1 ZINC000255431555 770816125 /nfs/dbraw/zinc/81/61/25/770816125.db2.gz QJKNZTOWEKTKTA-YWEYNIOJSA-N 0 0 273.741 2.968 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC1CCC=CCC1 ZINC000924057218 770820573 /nfs/dbraw/zinc/82/05/73/770820573.db2.gz AUGJMIJFNTYSRV-UHFFFAOYSA-N 0 0 278.327 2.829 20 10 CFCDRN [O-]c1cc(F)cc(F)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001140582842 770958699 /nfs/dbraw/zinc/95/86/99/770958699.db2.gz NPWQBYSVCXAJJW-NXEZZACHSA-N 0 0 253.292 2.902 20 10 CFCDRN [O-]c1cc(F)cc(F)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001140582843 770958919 /nfs/dbraw/zinc/95/89/19/770958919.db2.gz NPWQBYSVCXAJJW-UWVGGRQHSA-N 0 0 253.292 2.902 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@]1(C)O ZINC001140582499 770960918 /nfs/dbraw/zinc/96/09/18/770960918.db2.gz JMKLZTITJKSPJM-BONVTDFDSA-N 0 0 285.334 2.653 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725119536 775279121 /nfs/dbraw/zinc/27/91/21/775279121.db2.gz KIRKNKCFBAXPTC-AWEZNQCLSA-N 0 0 267.344 2.562 20 10 CFCDRN CCN(C(=O)/C=C/c1cccnc1C)c1cccnc1 ZINC001125801523 775422794 /nfs/dbraw/zinc/42/27/94/775422794.db2.gz IKNCTBOSACIVLE-CMDGGOBGSA-N 0 0 267.332 2.851 20 10 CFCDRN COC(=O)Cc1ccccc1Nc1ccc(N)cc1 ZINC001213060242 775520259 /nfs/dbraw/zinc/52/02/59/775520259.db2.gz PKHKFWBVUWTYHA-UHFFFAOYSA-N 0 0 256.305 2.728 20 10 CFCDRN CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)ccc1O ZINC000024034698 775731762 /nfs/dbraw/zinc/73/17/62/775731762.db2.gz MLQGPQNHMLPVQT-AWEZNQCLSA-N 0 0 288.734 2.924 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222361561 776100624 /nfs/dbraw/zinc/10/06/24/776100624.db2.gz ZURAAZDNKIKNNI-OAHLLOKOSA-N 0 0 298.789 2.903 20 10 CFCDRN Cc1cccc(CNc2cccc(CCO)c2)c1O ZINC000313183167 776237040 /nfs/dbraw/zinc/23/70/40/776237040.db2.gz BFCGTTLTYVQIFG-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN COc1c(F)cc(N(CCO)c2ccc(N)cc2)cc1F ZINC001211680581 776386797 /nfs/dbraw/zinc/38/67/97/776386797.db2.gz GGJWKRKCNPRMSY-UHFFFAOYSA-N 0 0 294.301 2.686 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)ccc(F)c1F ZINC000722315957 776447135 /nfs/dbraw/zinc/44/71/35/776447135.db2.gz DZVAFGSJUBLITH-YPMHNXCESA-N 0 0 283.318 2.718 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1SCCS1 ZINC000692870940 776466313 /nfs/dbraw/zinc/46/63/13/776466313.db2.gz BSDJVJMKYIKLBR-UHFFFAOYSA-N 0 0 275.826 2.941 20 10 CFCDRN [O-]c1c(F)ccc(F)c1CN1CCC([NH+]2CCCC2)CC1 ZINC001139685887 776619573 /nfs/dbraw/zinc/61/95/73/776619573.db2.gz ZXXIYALQKAHWBD-UHFFFAOYSA-N 0 0 296.361 2.731 20 10 CFCDRN O=C1c2cccc(OC3CC3)c2C(=O)c2cccc(O)c21 ZINC001229191798 776749379 /nfs/dbraw/zinc/74/93/79/776749379.db2.gz DFRHIOBOQGBLSZ-UHFFFAOYSA-N 0 0 280.279 2.709 20 10 CFCDRN C[C@@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446115 777221568 /nfs/dbraw/zinc/22/15/68/777221568.db2.gz DMKHZPYYNDQPSV-LLVKDONJSA-N 0 0 263.337 2.712 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)[C@H](C)C1 ZINC001231451982 777222666 /nfs/dbraw/zinc/22/26/66/777222666.db2.gz AAQSKTHRPDLRJF-GHMZBOCLSA-N 0 0 263.337 2.711 20 10 CFCDRN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C[C@@H]1CC1(C)C ZINC001231455730 777224586 /nfs/dbraw/zinc/22/45/86/777224586.db2.gz UUAZGDZYZJVSEO-LBPRGKRZSA-N 0 0 263.337 2.568 20 10 CFCDRN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CC1 ZINC001231562019 777260979 /nfs/dbraw/zinc/26/09/79/777260979.db2.gz YUMUUIDDHCUNOM-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001231564981 777261237 /nfs/dbraw/zinc/26/12/37/777261237.db2.gz MMAZGRZDALOQFD-SNVBAGLBSA-N 0 0 285.290 2.568 20 10 CFCDRN CC(C)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231565221 777261675 /nfs/dbraw/zinc/26/16/75/777261675.db2.gz BOEWDSDNUHRKPJ-UHFFFAOYSA-N 0 0 277.364 2.958 20 10 CFCDRN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)CC(C)(C)C ZINC001231564705 777261942 /nfs/dbraw/zinc/26/19/42/777261942.db2.gz 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/nfs/dbraw/zinc/01/81/43/779018143.db2.gz MGTRFHBWMIVQBO-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237125008 779019792 /nfs/dbraw/zinc/01/97/92/779019792.db2.gz UXWJNPSYZGDHFY-DTORHVGOSA-N 0 0 265.662 2.677 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC2(C1)CCCO2 ZINC001237124250 779019950 /nfs/dbraw/zinc/01/99/50/779019950.db2.gz NGEIGGSSUBRKIA-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)CCCO2 ZINC001237136742 779023745 /nfs/dbraw/zinc/02/37/45/779023745.db2.gz VGYPAAPBISXQSB-UHFFFAOYSA-N 0 0 287.281 2.776 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001233335239 779034885 /nfs/dbraw/zinc/03/48/85/779034885.db2.gz NDRVPJIHJBQYID-UHFFFAOYSA-N 0 0 283.318 2.815 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233415957 779040419 /nfs/dbraw/zinc/04/04/19/779040419.db2.gz PZBXNXVNFZBHFF-CABZTGNLSA-N 0 0 289.297 2.614 20 10 CFCDRN Cc1cccc2c1CN(Cc1cc(O)c(O)cc1O)C2 ZINC001233483461 779044427 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C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237802662 779181761 /nfs/dbraw/zinc/18/17/61/779181761.db2.gz NUBGSJYVWSLSRQ-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN CC[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC(C)(C)O ZINC001237805462 779183274 /nfs/dbraw/zinc/18/32/74/779183274.db2.gz LYHZTGVDPXQFSL-UHFFFAOYSA-N 0 0 275.751 2.778 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237934153 779209430 /nfs/dbraw/zinc/20/94/30/779209430.db2.gz HXILITIZWBDNEV-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOCC(F)(F)C1 ZINC001237933385 779209858 /nfs/dbraw/zinc/20/98/58/779209858.db2.gz ATUJKPZWUGEKGX-UHFFFAOYSA-N 0 0 295.688 2.652 20 10 CFCDRN CN(Cc1ccon1)Cc1cc(F)c(Cl)cc1O ZINC001237949206 779214791 /nfs/dbraw/zinc/21/47/91/779214791.db2.gz ISGJGIZETHEQEQ-UHFFFAOYSA-N 0 0 270.691 2.805 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001237950690 779214879 /nfs/dbraw/zinc/21/48/79/779214879.db2.gz YXKWSSMFUMZQHW-FHYCKABGSA-N 0 0 297.757 2.794 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H](C)O1 ZINC001237946387 779215275 /nfs/dbraw/zinc/21/52/75/779215275.db2.gz KZWQEBGEIPACQV-DTORHVGOSA-N 0 0 273.735 2.794 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC001238055780 779240872 /nfs/dbraw/zinc/24/08/72/779240872.db2.gz DFSPKWMXGHESPX-SWLSCSKDSA-N 0 0 279.355 2.841 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001238071067 779246820 /nfs/dbraw/zinc/24/68/20/779246820.db2.gz RKNINMANZFYJHA-INIZCTEOSA-N 0 0 279.355 2.842 20 10 CFCDRN CCOCc1cncc(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001238928233 779418961 /nfs/dbraw/zinc/41/89/61/779418961.db2.gz MMSGUOLTKNBMJL-UHFFFAOYSA-N 0 0 295.342 2.532 20 10 CFCDRN Cn1cnc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168521345 779431464 /nfs/dbraw/zinc/43/14/64/779431464.db2.gz AGCKHOCRVMEKIV-UHFFFAOYSA-N 0 0 288.738 2.939 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC(F)(F)C1 ZINC001237121121 779664846 /nfs/dbraw/zinc/66/48/46/779664846.db2.gz KHSMGTFFWIMDLJ-UHFFFAOYSA-N 0 0 251.635 2.636 20 10 CFCDRN CN(Cc1cnccn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237141491 779666967 /nfs/dbraw/zinc/66/69/67/779666967.db2.gz XKFXHGKMOSTWAK-UHFFFAOYSA-N 0 0 297.280 2.833 20 10 CFCDRN CO[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H]1F ZINC001237682150 779706916 /nfs/dbraw/zinc/70/69/16/779706916.db2.gz ZJNGSZXPHLBRRW-RYUDHWBXSA-N 0 0 273.735 2.523 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@H]1O ZINC001237933660 779724390 /nfs/dbraw/zinc/72/43/90/779724390.db2.gz FMYQEZTUHLNHRB-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1cc(CN(C)Cc2cc(F)c(Cl)cc2O)n(C)n1 ZINC001237937976 779724747 /nfs/dbraw/zinc/72/47/47/779724747.db2.gz WDDNEVQXXVMHGP-UHFFFAOYSA-N 0 0 297.761 2.859 20 10 CFCDRN COC(=O)c1cnc(-c2cnccc2C)c2ccn(C)c21 ZINC001239971459 779889599 /nfs/dbraw/zinc/88/95/99/779889599.db2.gz BYCRPNSKXYCXFG-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cc1n[nH]c(C)c1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001240127863 779952773 /nfs/dbraw/zinc/95/27/73/779952773.db2.gz DFOWJJAUJYRWRL-UHFFFAOYSA-N 0 0 279.343 2.904 20 10 CFCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c(C)c1 ZINC001212362422 779994643 /nfs/dbraw/zinc/99/46/43/779994643.db2.gz STAPPRZWTXEOTK-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN O=C1CCCc2ccc(-c3noc(-c4csnn4)n3)cc21 ZINC001212364612 779998658 /nfs/dbraw/zinc/99/86/58/779998658.db2.gz VRTOAUMJRNMSRR-UHFFFAOYSA-N 0 0 298.327 2.774 20 10 CFCDRN FC(F)(F)c1ccc(-c2noc(-c3csnn3)n2)cn1 ZINC001212364096 779998754 /nfs/dbraw/zinc/99/87/54/779998754.db2.gz CYWYOQUNVZDUPH-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN COCCn1ccc(-c2ccc(C(F)(F)F)nc2)cc1=O ZINC001240271730 780041123 /nfs/dbraw/zinc/04/11/23/780041123.db2.gz BRPZKMJXYCZEMI-UHFFFAOYSA-N 0 0 298.264 2.576 20 10 CFCDRN Cc1c(-c2ccn(Cc3ccccc3)c(=O)c2)cnn1C ZINC001240382309 780126259 /nfs/dbraw/zinc/12/62/59/780126259.db2.gz JDXGXQVJVIRHNX-UHFFFAOYSA-N 0 0 279.343 2.606 20 10 CFCDRN CCCN(CCC)C(=O)CSc1nccs1 ZINC000131676733 780160243 /nfs/dbraw/zinc/16/02/43/780160243.db2.gz JXIFBODFRYKJSN-UHFFFAOYSA-N 0 0 258.412 2.884 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000773013332 780187851 /nfs/dbraw/zinc/18/78/51/780187851.db2.gz DGZVXQMWMICKFX-YPMHNXCESA-N 0 0 278.421 2.683 20 10 CFCDRN O=c1cc(-c2cnn(CC3CC3)c2)ccn1CC(F)(F)F ZINC001240515222 780222467 /nfs/dbraw/zinc/22/24/67/780222467.db2.gz GYVHDQLGAYRMSV-UHFFFAOYSA-N 0 0 297.280 2.684 20 10 CFCDRN Cn1ccc2ncc(-c3cnn(CC4CC4)c3)cc21 ZINC001240516080 780223744 /nfs/dbraw/zinc/22/37/44/780223744.db2.gz KKTXAAMSGLIEMD-UHFFFAOYSA-N 0 0 252.321 2.847 20 10 CFCDRN COC(=O)Cc1ccncc1-c1ccc2ccn(C)c2c1 ZINC001240575007 780265628 /nfs/dbraw/zinc/26/56/28/780265628.db2.gz OMEFITIWUHKGAX-UHFFFAOYSA-N 0 0 280.327 2.956 20 10 CFCDRN Cc1cc(-c2ccc3ccn(C)c3c2)cnc1C(N)=O ZINC001240577403 780268676 /nfs/dbraw/zinc/26/86/76/780268676.db2.gz USVWICZUQXVRNK-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN COCCOc1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240577625 780268908 /nfs/dbraw/zinc/26/89/08/780268908.db2.gz YPZIXIWJNLTEAW-UHFFFAOYSA-N 0 0 283.331 2.661 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cncc(C(C)(C)O)c1 ZINC001240664147 780336435 /nfs/dbraw/zinc/33/64/35/780336435.db2.gz HTRQYBMSPYBTGR-UHFFFAOYSA-N 0 0 267.332 2.863 20 10 CFCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc2[nH]ccc2c1 ZINC001128185420 780355538 /nfs/dbraw/zinc/35/55/38/780355538.db2.gz GBIDXJCIMFAESN-QPJJXVBHSA-N 0 0 294.358 2.968 20 10 CFCDRN CCOC(=O)c1cc2cccc(-c3ccn(C)c(=O)c3)c2[nH]1 ZINC001240985352 780573085 /nfs/dbraw/zinc/57/30/85/780573085.db2.gz CFLKKCCVOANIOI-UHFFFAOYSA-N 0 0 296.326 2.710 20 10 CFCDRN Cn1ccc(-c2cncc3cc(F)ccc32)cc1=O ZINC001240991817 780578669 /nfs/dbraw/zinc/57/86/69/780578669.db2.gz YMBXVAYBOHKWPZ-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cc1cc(OCC(C)C)ncc1-c1ccn(C)c(=O)c1 ZINC001240998478 780582595 /nfs/dbraw/zinc/58/25/95/780582595.db2.gz WKAFAACPUURGDR-UHFFFAOYSA-N 0 0 272.348 2.791 20 10 CFCDRN CC[C@H](C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000700716207 780712707 /nfs/dbraw/zinc/71/27/07/780712707.db2.gz QTJXAUMFXLUYIM-CABZTGNLSA-N 0 0 273.323 2.821 20 10 CFCDRN CCn1ncc(C2=CCN(c3ccccc3)CC2)cc1=O ZINC001241354592 780805174 /nfs/dbraw/zinc/80/51/74/780805174.db2.gz MOEBHJTTWFWRKA-UHFFFAOYSA-N 0 0 281.359 2.557 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)N(C)c1ccc(N)cc1 ZINC000702063761 780869265 /nfs/dbraw/zinc/86/92/65/780869265.db2.gz HQQDDBTWPQAYFJ-UHFFFAOYSA-N 0 0 273.336 2.965 20 10 CFCDRN CN(Cc1noc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000702093104 780878924 /nfs/dbraw/zinc/87/89/24/780878924.db2.gz ZWWVAIQZCAXVFO-UHFFFAOYSA-N 0 0 260.341 2.586 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCSC2)ccc(F)c1F ZINC000703259297 781000196 /nfs/dbraw/zinc/00/01/96/781000196.db2.gz VYFLXGGEWQILPS-MRVPVSSYSA-N 0 0 259.321 2.513 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000703260772 781000983 /nfs/dbraw/zinc/00/09/83/781000983.db2.gz UCONJUCXKJPBGN-UHFFFAOYSA-N 0 0 267.275 2.904 20 10 CFCDRN CSC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703256985 781005555 /nfs/dbraw/zinc/00/55/55/781005555.db2.gz BDHOLQAFLMUSSX-UHFFFAOYSA-N 0 0 261.337 2.902 20 10 CFCDRN CC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1 ZINC000703363491 781010417 /nfs/dbraw/zinc/01/04/17/781010417.db2.gz GAMHVWIYKHZZKM-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN COCCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703556757 781031023 /nfs/dbraw/zinc/03/10/23/781031023.db2.gz QFBUHVIFUJTINV-UHFFFAOYSA-N 0 0 259.296 2.529 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnc(N)cc1C(F)(F)F ZINC001241678306 781067584 /nfs/dbraw/zinc/06/75/84/781067584.db2.gz ILTRTWXCVUYPKE-UHFFFAOYSA-N 0 0 293.252 2.631 20 10 CFCDRN COc1cc(C)c(-c2nnc(C)cc2-c2nccn2C)cn1 ZINC001241756019 781113354 /nfs/dbraw/zinc/11/33/54/781113354.db2.gz RNPRGMUFCBQYEF-UHFFFAOYSA-N 0 0 295.346 2.565 20 10 CFCDRN COc1cc(C)c(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001241772146 781120429 /nfs/dbraw/zinc/12/04/29/781120429.db2.gz BPQXOIMPDZAAFU-UHFFFAOYSA-N 0 0 272.348 2.883 20 10 CFCDRN Nc1ccc(NC(=O)NCC[C@@H]2CCSC2)cc1 ZINC000704897479 781127752 /nfs/dbraw/zinc/12/77/52/781127752.db2.gz SAXIQVMQUCTGFG-SNVBAGLBSA-N 0 0 265.382 2.534 20 10 CFCDRN CCCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837455 781139755 /nfs/dbraw/zinc/13/97/55/781139755.db2.gz HUHBBXMKIPPWSI-LLVKDONJSA-N 0 0 253.317 2.532 20 10 CFCDRN COCCn1cccc(-c2cccc3c2ccn3C)c1=O ZINC001241823662 781144631 /nfs/dbraw/zinc/14/46/31/781144631.db2.gz AUHFSZSRMGVATA-UHFFFAOYSA-N 0 0 282.343 2.653 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H](C)C(C)C ZINC000706447301 781174193 /nfs/dbraw/zinc/17/41/93/781174193.db2.gz AQPHTZRTNWLEEA-JTQLQIEISA-N 0 0 251.326 2.604 20 10 CFCDRN CC(C)(C)Oc1ccnc(NCc2ccc(N)cc2)n1 ZINC001162785370 781190203 /nfs/dbraw/zinc/19/02/03/781190203.db2.gz BMOKNUPVUNGKDJ-UHFFFAOYSA-N 0 0 272.352 2.848 20 10 CFCDRN C[C@H](N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000707224417 781235356 /nfs/dbraw/zinc/23/53/56/781235356.db2.gz WOAVKQGLGCMQJD-QWRGUYRKSA-N 0 0 265.353 2.773 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C2CCCC1CCC2 ZINC000707237339 781235513 /nfs/dbraw/zinc/23/55/13/781235513.db2.gz ORDZVBXMBOHUJU-UHFFFAOYSA-N 0 0 261.321 2.645 20 10 CFCDRN CC(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCS1 ZINC000707262306 781240724 /nfs/dbraw/zinc/24/07/24/781240724.db2.gz IVQSNKLCXPIGPZ-ZDUSSCGKSA-N 0 0 279.409 2.874 20 10 CFCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494420 781291656 /nfs/dbraw/zinc/29/16/56/781291656.db2.gz JBUOWBGRUUXFAK-HQJQHLMTSA-N 0 0 259.321 2.654 20 10 CFCDRN CC(C)(CO)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393315 781272343 /nfs/dbraw/zinc/27/23/43/781272343.db2.gz CNJMQBPFFJXIAM-UHFFFAOYSA-N 0 0 273.323 2.559 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](C)OC ZINC000708401394 781273561 /nfs/dbraw/zinc/27/35/61/781273561.db2.gz RDGMKNUMWWZBFS-VIFPVBQESA-N 0 0 259.296 2.527 20 10 CFCDRN CC(C)[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708400768 781273702 /nfs/dbraw/zinc/27/37/02/781273702.db2.gz PGIDBGKTBQTWQL-AWEZNQCLSA-N 0 0 285.334 2.917 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccns1 ZINC000708432816 781274795 /nfs/dbraw/zinc/27/47/95/781274795.db2.gz DAWZDYYPKVFYDY-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN CC(C)OCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708443604 781275429 /nfs/dbraw/zinc/27/54/29/781275429.db2.gz PYCSBOXXMDEOTC-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN Cc1nc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000708468714 781276137 /nfs/dbraw/zinc/27/61/37/781276137.db2.gz XJWOYYKCKNQMMZ-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN Cc1noc(C)c1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001242108933 781284402 /nfs/dbraw/zinc/28/44/02/781284402.db2.gz RPYKGPXUNZGAFR-UHFFFAOYSA-N 0 0 272.226 2.682 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1(C)C ZINC000708515939 781290575 /nfs/dbraw/zinc/29/05/75/781290575.db2.gz ALHPDIYEAQLECZ-NWDGAFQWSA-N 0 0 271.307 2.574 20 10 CFCDRN Cc1ncsc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708504860 781291140 /nfs/dbraw/zinc/29/11/40/781291140.db2.gz VLOPVNOYGBMKMZ-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN CCC(CC)(CO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535122 781292297 /nfs/dbraw/zinc/29/22/97/781292297.db2.gz IFWBDCQRPIPLQM-UHFFFAOYSA-N 0 0 273.323 2.559 20 10 CFCDRN CN(C)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000708559864 781293963 /nfs/dbraw/zinc/29/39/63/781293963.db2.gz VSGCBKOFYUJYSW-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])OC1 ZINC000711276528 781405419 /nfs/dbraw/zinc/40/54/19/781405419.db2.gz AITBKISHUPAIRG-LBPRGKRZSA-N 0 0 285.334 2.965 20 10 CFCDRN CC(C)n1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001242437095 781502573 /nfs/dbraw/zinc/50/25/73/781502573.db2.gz HLGHPUUIJWRGNB-UHFFFAOYSA-N 0 0 285.269 2.855 20 10 CFCDRN CN(C)c1cncc(-c2nccc3c2ccn3C)c1 ZINC001242523211 781563892 /nfs/dbraw/zinc/56/38/92/781563892.db2.gz HJAZTDWSTZGYAH-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CCc1ncccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001242523093 781564214 /nfs/dbraw/zinc/56/42/14/781564214.db2.gz HTLZYOYODFGJBR-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN CCOc1cncc(-c2nc(C)nc3c2ccn3C)c1 ZINC001242656915 781674916 /nfs/dbraw/zinc/67/49/16/781674916.db2.gz LDONHXFZXTXILI-UHFFFAOYSA-N 0 0 268.320 2.737 20 10 CFCDRN COc1cccc(O)c1CNCc1c(F)cccc1OC ZINC001119982283 781884070 /nfs/dbraw/zinc/88/40/70/781884070.db2.gz GXFNOWXKFIHFON-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN C/C(=C(/F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000821768669 781885473 /nfs/dbraw/zinc/88/54/73/781885473.db2.gz YFJLOQSTUWOZMC-ZLPNXAQZSA-N 0 0 293.338 2.799 20 10 CFCDRN CCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535561 346858811 /nfs/dbraw/zinc/85/88/11/346858811.db2.gz AVJYHWPUQDNVQR-UHFFFAOYSA-N 0 0 290.407 2.672 20 10 CFCDRN CC(C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535587 346858532 /nfs/dbraw/zinc/85/85/32/346858532.db2.gz OHTWDYNNVMYNGP-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN C[C@H]1COCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378445510 300339997 /nfs/dbraw/zinc/33/99/97/300339997.db2.gz UPLGAVXJCLCJJW-SNVBAGLBSA-N 0 0 255.745 2.514 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C1CC1 ZINC000289184364 282294762 /nfs/dbraw/zinc/29/47/62/282294762.db2.gz KDKWCQAVHAPJOC-UHFFFAOYSA-N 0 0 288.391 2.914 20 10 CFCDRN COc1cccc(CNC(=O)NC2CCCCC2)c1O ZINC000097595842 185635811 /nfs/dbraw/zinc/63/58/11/185635811.db2.gz HNXMIYMEVMPZSY-UHFFFAOYSA-N 0 0 278.352 2.533 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCCCCC2)cc1OC ZINC000032266841 346301346 /nfs/dbraw/zinc/30/13/46/346301346.db2.gz TXMUCIVFEIGABF-UHFFFAOYSA-N 0 0 280.324 2.992 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)CCO2 ZINC000053915182 346554622 /nfs/dbraw/zinc/55/46/22/346554622.db2.gz VDNSEXSMZSTBEE-UHFFFAOYSA-N 0 0 297.354 2.528 20 10 CFCDRN CN1CCCc2cc(CNc3ncccc3[N+](=O)[O-])ccc21 ZINC000058555560 346646287 /nfs/dbraw/zinc/64/62/87/346646287.db2.gz GKAREXKFFHAVCC-UHFFFAOYSA-N 0 0 298.346 2.984 20 10 CFCDRN CC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000066702145 346774433 /nfs/dbraw/zinc/77/44/33/346774433.db2.gz CHTBNTFDAGJOMU-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN CN(C)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000066046888 346746923 /nfs/dbraw/zinc/74/69/23/346746923.db2.gz XALUDMLAJREGRX-KRWDZBQOSA-N 0 0 298.386 2.654 20 10 CFCDRN C[C@H]1C[C@H](C)CN(C(=O)CSc2nccs2)C1 ZINC000078371753 347247679 /nfs/dbraw/zinc/24/76/79/347247679.db2.gz FQIVMNCAMQUNTP-UWVGGRQHSA-N 0 0 270.423 2.740 20 10 CFCDRN COC(=O)c1cnc(SCC2CCC(O)CC2)s1 ZINC000295152222 199374164 /nfs/dbraw/zinc/37/41/64/199374164.db2.gz FLFLWFXXVSNPJK-UHFFFAOYSA-N 0 0 287.406 2.573 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CCC[C@H](O)C2)s1 ZINC000294899885 199237879 /nfs/dbraw/zinc/23/78/79/199237879.db2.gz ALBMOCJJYKPQRY-BDAKNGLRSA-N 0 0 287.406 2.573 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273613387 299314610 /nfs/dbraw/zinc/31/46/10/299314610.db2.gz WTASXPAODPFTAZ-CMPLNLGQSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000276978289 296125993 /nfs/dbraw/zinc/12/59/93/296125993.db2.gz VMEJYTXGDVHJTA-SNVBAGLBSA-N 0 0 293.317 2.828 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1cnn(C)c1 ZINC000276883678 296158611 /nfs/dbraw/zinc/15/86/11/296158611.db2.gz GLAHPHFDXODQHI-RKDXNWHRSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000263661010 383685713 /nfs/dbraw/zinc/68/57/13/383685713.db2.gz AFUIHBIHNIDOFI-CYBMUJFWSA-N 0 0 287.407 2.620 20 10 CFCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057646766 373606237 /nfs/dbraw/zinc/60/62/37/373606237.db2.gz BIGWSNUYOYXKNJ-LBPRGKRZSA-N 0 0 293.386 2.833 20 10 CFCDRN Cn1ccc(/C=C/C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000493260675 246537425 /nfs/dbraw/zinc/53/74/25/246537425.db2.gz SEXCGTAVFBPVKX-AATRIKPKSA-N 0 0 297.314 2.536 20 10 CFCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccncc1 ZINC000493609112 246641412 /nfs/dbraw/zinc/64/14/12/246641412.db2.gz GREJDLLNLZJVCX-WAYWQWQTSA-N 0 0 253.305 2.543 20 10 CFCDRN COc1ccc(N2CCN(Cc3ccco3)CC2)cc1F ZINC000091923215 375070522 /nfs/dbraw/zinc/07/05/22/375070522.db2.gz PTGOMTUAJYVELY-UHFFFAOYSA-N 0 0 290.338 2.750 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000107224972 375805255 /nfs/dbraw/zinc/80/52/55/375805255.db2.gz NZEFSGZQFMBRNZ-CQSZACIVSA-N 0 0 268.316 2.774 20 10 CFCDRN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000117971136 376268212 /nfs/dbraw/zinc/26/82/12/376268212.db2.gz NZZYJCLXJDDGFT-SJCJKPOMSA-N 0 0 297.354 2.915 20 10 CFCDRN Cc1cccc(CNc2ccc(CCO)cc2)c1O ZINC000124627684 377070950 /nfs/dbraw/zinc/07/09/50/377070950.db2.gz ZYHZPPODQMPBLA-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccccc1C ZINC000125495079 377163445 /nfs/dbraw/zinc/16/34/45/377163445.db2.gz WVXJQXHPUNHWNR-LBPRGKRZSA-N 0 0 286.375 2.513 20 10 CFCDRN Cc1ccc(C[C@H](C)NC(=O)c2cccc(O)c2O)s1 ZINC000126440209 377227995 /nfs/dbraw/zinc/22/79/95/377227995.db2.gz JBFIWYKWYIYFGT-VIFPVBQESA-N 0 0 291.372 2.829 20 10 CFCDRN CCC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000126517330 377232891 /nfs/dbraw/zinc/23/28/91/377232891.db2.gz ZDQMANCNVHSVCX-LLVKDONJSA-N 0 0 263.337 2.893 20 10 CFCDRN C[C@@H]1OCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000126529787 377233181 /nfs/dbraw/zinc/23/31/81/377233181.db2.gz WLDMCNZQRSZEST-RYUDHWBXSA-N 0 0 266.360 2.501 20 10 CFCDRN CCOc1ccc(O)c(CN(C)CC(=O)OC(C)(C)C)c1 ZINC000126949299 377257092 /nfs/dbraw/zinc/25/70/92/377257092.db2.gz IYZZPKBUHZUGSS-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000127530954 377287959 /nfs/dbraw/zinc/28/79/59/377287959.db2.gz LYSNFEQSXMFSIV-QWHCGFSZSA-N 0 0 280.387 2.847 20 10 CFCDRN CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000129465716 377431270 /nfs/dbraw/zinc/43/12/70/377431270.db2.gz BJGNJAHHGDZITP-LLVKDONJSA-N 0 0 299.374 2.587 20 10 CFCDRN COc1cccc(CNC(=O)c2cccn2C(C)C)c1O ZINC000131476982 377717141 /nfs/dbraw/zinc/71/71/41/377717141.db2.gz HWMQMKAYNVSJQV-UHFFFAOYSA-N 0 0 288.347 2.713 20 10 CFCDRN CCCOc1ccc(C[N@H+](C)C[C@H]2CCCO2)c(O)c1 ZINC000132968912 377890827 /nfs/dbraw/zinc/89/08/27/377890827.db2.gz IHTZVWZDRMDWAH-OAHLLOKOSA-N 0 0 279.380 2.792 20 10 CFCDRN CCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134554408 378030705 /nfs/dbraw/zinc/03/07/05/378030705.db2.gz MPSJCECGCDMCAL-SNVBAGLBSA-N 0 0 278.179 2.950 20 10 CFCDRN C[C@@H](C1CC1)n1nccc1NC(=O)Cc1ccc(N)cc1 ZINC000150718405 378268676 /nfs/dbraw/zinc/26/86/76/378268676.db2.gz VFEBYBQRONZYIS-NSHDSACASA-N 0 0 284.363 2.618 20 10 CFCDRN COCCOCCN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000175660735 380109250 /nfs/dbraw/zinc/10/92/50/380109250.db2.gz LMQPZUOHTUEBHM-AWEZNQCLSA-N 0 0 293.407 2.963 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1[C@@H]2CCC[C@H]12 ZINC000177662791 380364046 /nfs/dbraw/zinc/36/40/46/380364046.db2.gz GVWVZEQHHUVQRW-SJPCQFCGSA-N 0 0 284.403 2.949 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3[C@@H]4CCC[C@H]34)ccc21 ZINC000178168599 380417022 /nfs/dbraw/zinc/41/70/22/380417022.db2.gz XIZBBILCHAWDJF-FKEKPDDDSA-N 0 0 284.403 2.731 20 10 CFCDRN CCc1nc(COc2ccc(N3CCCC3)cc2)no1 ZINC000178197557 380421129 /nfs/dbraw/zinc/42/11/29/380421129.db2.gz JUVHHYKQZAJHNK-UHFFFAOYSA-N 0 0 273.336 2.811 20 10 CFCDRN CC(C)N1CCC[C@@H](Sc2nccs2)C1=O ZINC000178506614 380460044 /nfs/dbraw/zinc/46/00/44/380460044.db2.gz JQCWZKDJFHMXGR-SECBINFHSA-N 0 0 256.396 2.635 20 10 CFCDRN COc1cccc(CNC(=O)C2CCC(F)(F)CC2)c1O ZINC000179358852 380535803 /nfs/dbraw/zinc/53/58/03/380535803.db2.gz JPMPKYKUFQJOAV-UHFFFAOYSA-N 0 0 299.317 2.843 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccco2)c(O)c1O ZINC000179419713 380541376 /nfs/dbraw/zinc/54/13/76/380541376.db2.gz VZMHXCMACVBBNM-SNVBAGLBSA-N 0 0 275.304 2.832 20 10 CFCDRN COc1cccc(C[N@H+](C)Cc2scnc2C)c1O ZINC000179428581 380543431 /nfs/dbraw/zinc/54/34/31/380543431.db2.gz AGKGNXLKTHJSBN-UHFFFAOYSA-N 0 0 278.377 2.798 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(Cl)Cl ZINC000180603089 380680870 /nfs/dbraw/zinc/68/08/70/380680870.db2.gz ULVOUNUJHGXOCH-UHFFFAOYSA-N 0 0 262.136 2.544 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180634590 380684483 /nfs/dbraw/zinc/68/44/83/380684483.db2.gz LWAKELYQXCWSFU-FPUUUQIFSA-N 0 0 275.348 2.806 20 10 CFCDRN CC(C)N(CC(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181222237 380759839 /nfs/dbraw/zinc/75/98/39/380759839.db2.gz AEJDVNXXJSXNJZ-GQCTYLIASA-N 0 0 285.290 2.613 20 10 CFCDRN CCC[C@@H](CC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180989646 380721133 /nfs/dbraw/zinc/72/11/33/380721133.db2.gz SBUOGDVNBMBSCI-YPUOHESYSA-N 0 0 263.337 2.806 20 10 CFCDRN CN(Cc1nnc(C2CC2)n1C1CC1)Cc1ccccc1O ZINC000181461643 380797462 /nfs/dbraw/zinc/79/74/62/380797462.db2.gz HJLRSSBWHVNVJT-UHFFFAOYSA-N 0 0 298.390 2.828 20 10 CFCDRN Cc1nc(C2(NCc3cccc(C)c3O)CCCC2)no1 ZINC000181787794 380894302 /nfs/dbraw/zinc/89/43/02/380894302.db2.gz WNBHBVHIOLQLHF-UHFFFAOYSA-N 0 0 287.363 2.951 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000287839762 380952222 /nfs/dbraw/zinc/95/22/22/380952222.db2.gz WBQYIJMHEKNSNR-CABZTGNLSA-N 0 0 284.787 2.563 20 10 CFCDRN CC(=O)C(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000288287835 381009828 /nfs/dbraw/zinc/00/98/28/381009828.db2.gz BGBUCCVWHRCDQJ-UHFFFAOYSA-N 0 0 288.372 2.739 20 10 CFCDRN Cc1noc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000182220601 381027949 /nfs/dbraw/zinc/02/79/49/381027949.db2.gz ORWMUQNEFPZMFU-UHFFFAOYSA-N 0 0 272.352 2.980 20 10 CFCDRN Cc1sccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295663374 381003663 /nfs/dbraw/zinc/00/36/63/381003663.db2.gz FHQXSDSSHPCUFA-SECBINFHSA-N 0 0 291.372 2.829 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182513619 381104716 /nfs/dbraw/zinc/10/47/16/381104716.db2.gz HLDIQQHVKQDKOF-LBPRGKRZSA-N 0 0 295.379 2.555 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)COC(C)(C)C)cc1 ZINC000182522659 381106678 /nfs/dbraw/zinc/10/66/78/381106678.db2.gz WZUOGOIRPWFRII-UHFFFAOYSA-N 0 0 292.423 2.964 20 10 CFCDRN CC[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000182636964 381126359 /nfs/dbraw/zinc/12/63/59/381126359.db2.gz XEFGOHKJWKOHHO-HOCLYGCPSA-N 0 0 290.407 2.574 20 10 CFCDRN Cc1noc([C@@H](NCc2ccccc2O)c2ccccc2)n1 ZINC000369118729 381197074 /nfs/dbraw/zinc/19/70/74/381197074.db2.gz UDTYMOAZPVAWBR-INIZCTEOSA-N 0 0 295.342 2.963 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)CC2 ZINC000295999215 381205016 /nfs/dbraw/zinc/20/50/16/381205016.db2.gz OFOQGMYATCLYGD-GDBMZVCRSA-N 0 0 287.334 2.842 20 10 CFCDRN CC(C)c1nnc(CN[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000296309137 381342937 /nfs/dbraw/zinc/34/29/37/381342937.db2.gz GHMGBYOTQADCRI-GFCCVEGCSA-N 0 0 287.411 2.845 20 10 CFCDRN CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(C)cc1O ZINC000296458554 381404917 /nfs/dbraw/zinc/40/49/17/381404917.db2.gz NDNNVEICADNTOL-ZDUSSCGKSA-N 0 0 286.379 2.937 20 10 CFCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296504153 381425385 /nfs/dbraw/zinc/42/53/85/381425385.db2.gz LSDUZJDVOVKLBB-CHWSQXEVSA-N 0 0 277.364 2.930 20 10 CFCDRN COc1cc(Cl)cc(C[N@H+](C)CCOCC2CC2)c1O ZINC000184700871 381462745 /nfs/dbraw/zinc/46/27/45/381462745.db2.gz PTOCEMVVNMEQML-UHFFFAOYSA-N 0 0 299.798 2.913 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296600762 381467110 /nfs/dbraw/zinc/46/71/10/381467110.db2.gz VOSAROPZKZTAOL-NOZJJQNGSA-N 0 0 253.317 2.749 20 10 CFCDRN CCn1ccnc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000296605515 381468411 /nfs/dbraw/zinc/46/84/11/381468411.db2.gz VYEMDGASPGUFGK-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN CCOc1ccc(CCC(=O)NCc2ccc(N)cc2)cc1 ZINC000296829201 381544907 /nfs/dbraw/zinc/54/49/07/381544907.db2.gz AZLQUGZBSUQJRR-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN CSCCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000185160850 381548437 /nfs/dbraw/zinc/54/84/37/381548437.db2.gz BKPLHXGALQBYGK-UHFFFAOYSA-N 0 0 284.381 2.923 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N)cc1 ZINC000297181803 381552935 /nfs/dbraw/zinc/55/29/35/381552935.db2.gz LFXMCUGHZVXBDJ-ZDUSSCGKSA-N 0 0 278.396 2.726 20 10 CFCDRN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185316385 381595498 /nfs/dbraw/zinc/59/54/98/381595498.db2.gz QBZPLEYASMUSCU-RYUDHWBXSA-N 0 0 268.376 2.912 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnccn1 ZINC000298420360 381618819 /nfs/dbraw/zinc/61/88/19/381618819.db2.gz ZFBLBYGWKFDBBY-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ccnc(C)n1 ZINC000359839983 381634619 /nfs/dbraw/zinc/63/46/19/381634619.db2.gz RUUOBXUIQYFRPM-UHFFFAOYSA-N 0 0 266.348 2.619 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ncnc2nc[nH]c21 ZINC000359849334 381640554 /nfs/dbraw/zinc/64/05/54/381640554.db2.gz UQRHBCBCDPUPIJ-UHFFFAOYSA-N 0 0 292.346 2.717 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185481913 381645966 /nfs/dbraw/zinc/64/59/66/381645966.db2.gz YPTNUAQXLIKBGK-ZYHUDNBSSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185521084 381656254 /nfs/dbraw/zinc/65/62/54/381656254.db2.gz MKBFCDFETCSWEB-AXFHLTTASA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185521106 381656822 /nfs/dbraw/zinc/65/68/22/381656822.db2.gz MKBFCDFETCSWEB-MXWKQRLJSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000185537292 381660113 /nfs/dbraw/zinc/66/01/13/381660113.db2.gz CTYZZWHZYJUCMY-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC12CCC(CC1)C2 ZINC000371758532 381695840 /nfs/dbraw/zinc/69/58/40/381695840.db2.gz GCMRIRBCRXATEN-DUXPYHPUSA-N 0 0 273.332 2.560 20 10 CFCDRN O=C(CSc1nccs1)NCC1CCCCC1 ZINC000298720797 381724916 /nfs/dbraw/zinc/72/49/16/381724916.db2.gz LWTUFBJPDPWNPA-UHFFFAOYSA-N 0 0 270.423 2.932 20 10 CFCDRN Cc1ncsc1CCC(=O)N(C)Cc1ccccc1O ZINC000298978820 381791762 /nfs/dbraw/zinc/79/17/62/381791762.db2.gz PKQPLSPQXGRKII-UHFFFAOYSA-N 0 0 290.388 2.748 20 10 CFCDRN C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000186074210 381817807 /nfs/dbraw/zinc/81/78/07/381817807.db2.gz YBBXOKJRMUDICU-GFCCVEGCSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186382659 381896057 /nfs/dbraw/zinc/89/60/57/381896057.db2.gz XRLJBJZCFSTLAQ-GRYCIOLGSA-N 0 0 279.380 2.827 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccccc1 ZINC000186382462 381896224 /nfs/dbraw/zinc/89/62/24/381896224.db2.gz IPJWCFPVKSBTNM-CHWSQXEVSA-N 0 0 299.370 2.949 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)c1O ZINC000186458305 381917913 /nfs/dbraw/zinc/91/79/13/381917913.db2.gz VEFRKMBWVBPVNG-BLLLJJGKSA-N 0 0 277.364 2.699 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H]3CCCCC[C@@H]32)c(O)c1O ZINC000374771687 382056052 /nfs/dbraw/zinc/05/60/52/382056052.db2.gz PBUMPNAVFGDQAJ-YPMHNXCESA-N 0 0 275.348 2.811 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2C=CCCC2)c1O ZINC000186869014 382033987 /nfs/dbraw/zinc/03/39/87/382033987.db2.gz MCHXCBMACBYZSP-LBPRGKRZSA-N 0 0 275.348 2.763 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1[O-] ZINC000376306879 382129057 /nfs/dbraw/zinc/12/90/57/382129057.db2.gz VUUXIOKNZDECTA-DETPVDSQSA-N 0 0 295.354 2.520 20 10 CFCDRN Cc1cnc(C)c(N2CC=C(c3cccnc3)CC2)n1 ZINC000375353667 382081195 /nfs/dbraw/zinc/08/11/95/382081195.db2.gz QDFDQDGXKZOLQO-UHFFFAOYSA-N 0 0 266.348 2.782 20 10 CFCDRN O=C(N[C@@H]1CCCOc2ccccc21)c1cccc(O)c1O ZINC000187056967 382087723 /nfs/dbraw/zinc/08/77/23/382087723.db2.gz HRBPGJBWLCWRJF-CYBMUJFWSA-N 0 0 299.326 2.742 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000293570457 382179653 /nfs/dbraw/zinc/17/96/53/382179653.db2.gz IYMQAQNRPGVTDO-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377237567 382240083 /nfs/dbraw/zinc/24/00/83/382240083.db2.gz IPKVLWITJBEQRC-NWDGAFQWSA-N 0 0 281.783 2.904 20 10 CFCDRN Cc1noc(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000293726376 382252756 /nfs/dbraw/zinc/25/27/56/382252756.db2.gz WBQSFPBWBJRMKE-UHFFFAOYSA-N 0 0 299.733 2.599 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)CSC)cc1Cl ZINC000187940416 382304590 /nfs/dbraw/zinc/30/45/90/382304590.db2.gz VWIXFLGPWMBXAF-JTQLQIEISA-N 0 0 275.801 2.509 20 10 CFCDRN COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000377633983 382306954 /nfs/dbraw/zinc/30/69/54/382306954.db2.gz WESRWBMANAPYOP-GUYCJALGSA-N 0 0 291.391 2.964 20 10 CFCDRN CN1CCc2cc(CNC(=O)Cc3ccccc3F)ccc21 ZINC000364361189 382315440 /nfs/dbraw/zinc/31/54/40/382315440.db2.gz MZLRHEITQQPDDK-UHFFFAOYSA-N 0 0 298.361 2.677 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000293912899 382333093 /nfs/dbraw/zinc/33/30/93/382333093.db2.gz LWUOHRLMUBEOCU-CYBMUJFWSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293914106 382334797 /nfs/dbraw/zinc/33/47/97/382334797.db2.gz GEIVPDDDIHQZOM-SNVBAGLBSA-N 0 0 273.735 2.532 20 10 CFCDRN Cc1cccc(NC(=O)NCc2ccc3c(c2)CCN3C)n1 ZINC000364300072 382300441 /nfs/dbraw/zinc/30/04/41/382300441.db2.gz ANQZFINZZNOSTP-UHFFFAOYSA-N 0 0 296.374 2.704 20 10 CFCDRN Cc1ccc(O)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000294025091 382383536 /nfs/dbraw/zinc/38/35/36/382383536.db2.gz NTWLQPXLXWZQKQ-KRWDZBQOSA-N 0 0 277.408 2.931 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1c1ccccc1F ZINC000365753766 382437284 /nfs/dbraw/zinc/43/72/84/382437284.db2.gz OCUHRASSTVEJLD-CYBMUJFWSA-N 0 0 287.290 2.824 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378446066 382463028 /nfs/dbraw/zinc/46/30/28/382463028.db2.gz XUULDRGZLPFFAO-NSHDSACASA-N 0 0 292.770 2.543 20 10 CFCDRN Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000378617600 382491550 /nfs/dbraw/zinc/49/15/50/382491550.db2.gz BEPUDEKXRZJMGG-OLZOCXBDSA-N 0 0 271.364 2.563 20 10 CFCDRN Cc1ccc(O)c(CNc2cc(-c3nncn3C)ccn2)c1 ZINC000367123224 382558814 /nfs/dbraw/zinc/55/88/14/382558814.db2.gz OBTDZQDJDQYUHJ-UHFFFAOYSA-N 0 0 295.346 2.503 20 10 CFCDRN COc1cccc(CN2C[C@H](CO)Cc3ccccc32)c1O ZINC000367803155 382588415 /nfs/dbraw/zinc/58/84/15/382588415.db2.gz VZLWOUNICHIIEG-CYBMUJFWSA-N 0 0 299.370 2.572 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295253360 382600113 /nfs/dbraw/zinc/60/01/13/382600113.db2.gz QNQQPVMYKCMPGN-CQSZACIVSA-N 0 0 263.381 2.684 20 10 CFCDRN Cc1cncc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000189974075 382648021 /nfs/dbraw/zinc/64/80/21/382648021.db2.gz ZFDCOGIXINCTEA-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN CC(C)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000190142250 382654834 /nfs/dbraw/zinc/65/48/34/382654834.db2.gz GROLUESRZMOISH-UHFFFAOYSA-N 0 0 263.337 2.606 20 10 CFCDRN O=[N+]([O-])c1cnc(Sc2nnc3n2CCCCC3)s1 ZINC000190309909 382661520 /nfs/dbraw/zinc/66/15/20/382661520.db2.gz JYZAWDMRXYKTOQ-UHFFFAOYSA-N 0 0 297.365 2.520 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ncccc1F ZINC000255066145 383475317 /nfs/dbraw/zinc/47/53/17/383475317.db2.gz BIFRRANCCRPLES-ALCCZGGFSA-N 0 0 291.713 2.945 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(C2CC2)c1 ZINC000528831394 383650454 /nfs/dbraw/zinc/65/04/54/383650454.db2.gz MPZPOWCLSQBSLK-UHFFFAOYSA-N 0 0 299.374 2.976 20 10 CFCDRN CC1=C(C(=O)N2CCOc3cc(N(C)C)ccc32)CCC1 ZINC000437015447 383900366 /nfs/dbraw/zinc/90/03/66/383900366.db2.gz GOJKIBJPQVLFII-UHFFFAOYSA-N 0 0 286.375 2.978 20 10 CFCDRN COc1ccc(N2CCN(C(=O)C3(C)CCC3)CC2)cc1 ZINC000267335044 384362077 /nfs/dbraw/zinc/36/20/77/384362077.db2.gz GRZCMYOVKXNROH-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN CCC[N@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000267360691 384367729 /nfs/dbraw/zinc/36/77/29/384367729.db2.gz CHZBYSYWSNFKBM-UHFFFAOYSA-N 0 0 251.370 2.765 20 10 CFCDRN CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000267570987 384416750 /nfs/dbraw/zinc/41/67/50/384416750.db2.gz IPLROYXURVGVRM-SNVBAGLBSA-N 0 0 251.326 2.667 20 10 CFCDRN CO[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000267849726 384478660 /nfs/dbraw/zinc/47/86/60/384478660.db2.gz CZFWJJNQOMBNGL-KRWDZBQOSA-N 0 0 298.386 2.955 20 10 CFCDRN Nc1ccc(CCNC(=O)C=C2CCCCC2)cc1 ZINC000269148487 384730408 /nfs/dbraw/zinc/73/04/08/384730408.db2.gz LFXPXESDQAHZBK-UHFFFAOYSA-N 0 0 258.365 2.818 20 10 CFCDRN CCCCS[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000269250523 384741882 /nfs/dbraw/zinc/74/18/82/384741882.db2.gz XDUVPIZMJPMXAJ-NSHDSACASA-N 0 0 297.420 2.678 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000269783049 384867441 /nfs/dbraw/zinc/86/74/41/384867441.db2.gz JTFKWDOLEBKHAS-LLVKDONJSA-N 0 0 250.342 2.626 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)COC ZINC000270985335 385291637 /nfs/dbraw/zinc/29/16/37/385291637.db2.gz FMMKWXGINAZFOH-UHFFFAOYSA-N 0 0 292.423 2.774 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCC(C)=O ZINC000282599248 385348824 /nfs/dbraw/zinc/34/88/24/385348824.db2.gz WIAOMTARIKQYMR-UHFFFAOYSA-N 0 0 263.337 2.500 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCOC1 ZINC000282603261 385350754 /nfs/dbraw/zinc/35/07/54/385350754.db2.gz YFVKTENNSNIAMC-OAHLLOKOSA-N 0 0 291.391 2.948 20 10 CFCDRN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2)no1 ZINC000282634203 385357448 /nfs/dbraw/zinc/35/74/48/385357448.db2.gz JXGJCNXCLSAXHO-LBPRGKRZSA-N 0 0 259.353 2.900 20 10 CFCDRN CN(Cc1ccon1)Cc1cc(Br)ccc1O ZINC000271181810 385366067 /nfs/dbraw/zinc/36/60/67/385366067.db2.gz HZFFDJAGWKAZEI-UHFFFAOYSA-N 0 0 297.152 2.775 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000271244927 385377656 /nfs/dbraw/zinc/37/76/56/385377656.db2.gz BXUDJHCLTUUTIS-PELKAZGASA-N 0 0 290.190 2.902 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)s2)c(OC)c1 ZINC000271432899 385381454 /nfs/dbraw/zinc/38/14/54/385381454.db2.gz AHAVSTZFRPHUMM-UHFFFAOYSA-N 0 0 279.365 2.500 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NOCC ZINC000283608998 385480463 /nfs/dbraw/zinc/48/04/63/385480463.db2.gz LTKAEMBKPBMDFR-UHFFFAOYSA-N 0 0 266.341 2.655 20 10 CFCDRN CCCN(CCC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272480770 385549343 /nfs/dbraw/zinc/54/93/43/385549343.db2.gz QOFTYYWITGPKTG-SOFGYWHQSA-N 0 0 263.337 2.760 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000285530875 385556299 /nfs/dbraw/zinc/55/62/99/385556299.db2.gz BPTJZGOWVDEROM-BFHYXJOUSA-N 0 0 267.344 2.876 20 10 CFCDRN CC[C@@H]([NH2+]CCCn1cccn1)c1ccc(F)cc1[O-] ZINC000285557240 385556474 /nfs/dbraw/zinc/55/64/74/385556474.db2.gz GZROQXDNMPTOPY-CQSZACIVSA-N 0 0 277.343 2.859 20 10 CFCDRN CCC[C@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286084979 385559603 /nfs/dbraw/zinc/55/96/03/385559603.db2.gz MNBNBFIPARVWFM-WCQYABFASA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286102869 385560627 /nfs/dbraw/zinc/56/06/27/385560627.db2.gz NHVQWYJLXIHBBQ-ZDUSSCGKSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272592243 385570996 /nfs/dbraw/zinc/57/09/96/385570996.db2.gz GBQPJYVWFWWOSJ-PYISVCGKSA-N 0 0 275.348 2.806 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccc(F)cc1[O-] ZINC000286256135 385578608 /nfs/dbraw/zinc/57/86/08/385578608.db2.gz UOKGHGULOMHYSK-WCQYABFASA-N 0 0 255.333 2.733 20 10 CFCDRN CCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000062747916 285191084 /nfs/dbraw/zinc/19/10/84/285191084.db2.gz MZWGRYPFJFYWAF-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN CC1([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)OCCO1 ZINC000273184544 385672883 /nfs/dbraw/zinc/67/28/83/385672883.db2.gz OUBKQVBJJPHIAI-ZDUSSCGKSA-N 0 0 295.354 2.506 20 10 CFCDRN CC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273441232 385683396 /nfs/dbraw/zinc/68/33/96/385683396.db2.gz YKBBDUIERYZOGU-NXEZZACHSA-N 0 0 251.326 2.628 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CSC)c1 ZINC000273467021 385684148 /nfs/dbraw/zinc/68/41/48/385684148.db2.gz DWSIFGUAJKPBJU-UWVGGRQHSA-N 0 0 283.393 2.581 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000273462249 385684873 /nfs/dbraw/zinc/68/48/73/385684873.db2.gz CYNALVPNEKYPMB-JRPNMDOOSA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000273554483 385687533 /nfs/dbraw/zinc/68/75/33/385687533.db2.gz GOWZWLAEUFTVJP-XHDPSFHLSA-N 0 0 298.427 2.619 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273602701 385690905 /nfs/dbraw/zinc/69/09/05/385690905.db2.gz SHDVYZLATMIFIS-HZMBPMFUSA-N 0 0 282.340 2.502 20 10 CFCDRN CC[C@H](C)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273598656 385691535 /nfs/dbraw/zinc/69/15/35/385691535.db2.gz RJSIHLIZPJIQDV-NWDGAFQWSA-N 0 0 295.383 2.681 20 10 CFCDRN CN1CCc2cc(CNC(=O)N[C@H]3CC=CCC3)ccc21 ZINC000372447025 393449813 /nfs/dbraw/zinc/44/98/13/393449813.db2.gz OQOKEDAJEJJQJV-HNNXBMFYSA-N 0 0 285.391 2.587 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@H]1C ZINC000372454051 393449992 /nfs/dbraw/zinc/44/99/92/393449992.db2.gz LFIQKKCQRLWNFB-STQMWFEESA-N 0 0 287.407 2.619 20 10 CFCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H](C)C1 ZINC000193146571 393643245 /nfs/dbraw/zinc/64/32/45/393643245.db2.gz ZPAUAKHDBGQIRF-QWRGUYRKSA-N 0 0 263.337 2.606 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOCC1CC1 ZINC000224809289 393767696 /nfs/dbraw/zinc/76/76/96/393767696.db2.gz AFDYEMINGMJBMS-UHFFFAOYSA-N 0 0 255.745 2.562 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCOC2)cc1 ZINC000106841951 393867653 /nfs/dbraw/zinc/86/76/53/393867653.db2.gz ANUVCMOOQIJMTI-QGZVFWFLSA-N 0 0 298.386 2.955 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1=COCCC1 ZINC000107766001 393871052 /nfs/dbraw/zinc/87/10/52/393871052.db2.gz UDDMHKRQIPSROJ-UHFFFAOYSA-N 0 0 275.348 2.825 20 10 CFCDRN COc1ccc(N(CC(=O)NC2CC2)[C@@H](C)C2CC2)cc1 ZINC000109774139 393879544 /nfs/dbraw/zinc/87/95/44/393879544.db2.gz KQFDUAYDCFKHSW-LBPRGKRZSA-N 0 0 288.391 2.579 20 10 CFCDRN CCCCc1nc(CN(C)Cc2ccccc2O)no1 ZINC000109773243 393879828 /nfs/dbraw/zinc/87/98/28/393879828.db2.gz HJMNKCPJSDEGEV-UHFFFAOYSA-N 0 0 275.352 2.750 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C2CC2)C2CC2)cc1F ZINC000120509378 393934724 /nfs/dbraw/zinc/93/47/24/393934724.db2.gz ZCAVSIAOESINAR-UHFFFAOYSA-N 0 0 290.382 2.944 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccc1 ZINC000120566056 393935796 /nfs/dbraw/zinc/93/57/96/393935796.db2.gz ISOBGUWPZAXPLV-QGZVFWFLSA-N 0 0 299.370 2.864 20 10 CFCDRN Cc1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000121397730 393955393 /nfs/dbraw/zinc/95/53/93/393955393.db2.gz BCXWUKHYBCVNEM-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)on1 ZINC000348702789 393956408 /nfs/dbraw/zinc/95/64/08/393956408.db2.gz BRTVGENYWDFXFX-UHFFFAOYSA-N 0 0 283.331 2.713 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(=O)[nH]c1 ZINC000348671247 393956432 /nfs/dbraw/zinc/95/64/32/393956432.db2.gz WGHLCVKVMVEFLY-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN COc1ccc(N(C[C@@H](O)C(F)(F)F)C(C)C)cc1F ZINC000121577791 393957717 /nfs/dbraw/zinc/95/77/17/393957717.db2.gz HDCYKFBEYYEWOB-GFCCVEGCSA-N 0 0 295.276 2.972 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C(C)C)n2)cc1F ZINC000121728555 393959599 /nfs/dbraw/zinc/95/95/99/393959599.db2.gz UEBHNTUZSJJFAF-UHFFFAOYSA-N 0 0 279.315 2.977 20 10 CFCDRN COCCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000121923825 393962283 /nfs/dbraw/zinc/96/22/83/393962283.db2.gz JFBRJFNZMAUJNB-UHFFFAOYSA-N 0 0 290.407 2.502 20 10 CFCDRN CN(C(=O)/C=C\c1cncc(O)c1)c1ccc(F)c(F)c1 ZINC000492518214 394069761 /nfs/dbraw/zinc/06/97/61/394069761.db2.gz GIMHSJAEEIJBQN-DJWKRKHSSA-N 0 0 290.269 2.742 20 10 CFCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccncc1 ZINC000492552355 394071228 /nfs/dbraw/zinc/07/12/28/394071228.db2.gz VOQKIFAXXULZKJ-SREVYHEPSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492859626 394083753 /nfs/dbraw/zinc/08/37/53/394083753.db2.gz GYXQWNXWRNWAOI-DGMVEKRQSA-N 0 0 267.332 2.963 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)C[C@@H](C)O2 ZINC000492865574 394085219 /nfs/dbraw/zinc/08/52/19/394085219.db2.gz OTHXFVNOVMUEMR-FVOPLDGLSA-N 0 0 283.331 2.545 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492902118 394093575 /nfs/dbraw/zinc/09/35/75/394093575.db2.gz QOHDVFJSQWVJHG-JPVGGKMYSA-N 0 0 293.326 2.530 20 10 CFCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1cccc(C)c1 ZINC000492962238 394109556 /nfs/dbraw/zinc/10/95/56/394109556.db2.gz QAQMZPIPTJWZJX-BQYQJAHWSA-N 0 0 255.321 2.784 20 10 CFCDRN CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc(Cl)c1[O-] ZINC000287673482 394208854 /nfs/dbraw/zinc/20/88/54/394208854.db2.gz MGRPFUOOGIEVAR-LBPRGKRZSA-N 0 0 294.786 2.756 20 10 CFCDRN Cn1ccc(/C=C/C(=O)N2CCN(C)Cc3ccccc32)c1 ZINC000365212017 394227725 /nfs/dbraw/zinc/22/77/25/394227725.db2.gz DIPJZYZTPMMVIS-BQYQJAHWSA-N 0 0 295.386 2.517 20 10 CFCDRN Cn1ccc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000493260676 394193486 /nfs/dbraw/zinc/19/34/86/394193486.db2.gz SEXCGTAVFBPVKX-WAYWQWQTSA-N 0 0 297.314 2.536 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCOc2cccc(F)c21 ZINC000493545850 394273854 /nfs/dbraw/zinc/27/38/54/394273854.db2.gz DCGKVVDUKUUKKM-PLNGDYQASA-N 0 0 290.319 2.721 20 10 CFCDRN Cn1cnc(-c2cccc(NCc3cc(F)ccc3O)c2)n1 ZINC000153536244 394285511 /nfs/dbraw/zinc/28/55/11/394285511.db2.gz BTPCOIODGNGHNG-UHFFFAOYSA-N 0 0 298.321 2.939 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(F)F ZINC000295028496 394296070 /nfs/dbraw/zinc/29/60/70/394296070.db2.gz LIYHWRYMYQPTGW-KOLCDFICSA-N 0 0 279.714 2.540 20 10 CFCDRN COCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293796168 292198089 /nfs/dbraw/zinc/19/80/89/292198089.db2.gz UTEXHZKCSHPEKD-JTQLQIEISA-N 0 0 282.340 2.624 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nccn1C ZINC000270947279 286388939 /nfs/dbraw/zinc/38/89/39/286388939.db2.gz ZSAPUKHIWUDBHZ-UHFFFAOYSA-N 0 0 271.364 2.772 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC1OCCCO1 ZINC000270901687 286389090 /nfs/dbraw/zinc/38/90/90/286389090.db2.gz RAJFQQPCSRHYDQ-UHFFFAOYSA-N 0 0 291.391 2.991 20 10 CFCDRN Cc1c2cc(OC[C@@H]3COCCO3)ccc2n(C)c1C ZINC000664099363 413565339 /nfs/dbraw/zinc/56/53/39/413565339.db2.gz XMLLPWYKVRJXGJ-AWEZNQCLSA-N 0 0 275.348 2.589 20 10 CFCDRN CN(C(=O)CSC(C)(C)C)c1ccc(N)cc1 ZINC000037285804 173091946 /nfs/dbraw/zinc/09/19/46/173091946.db2.gz OWOHBLWFCTVOIL-UHFFFAOYSA-N 0 0 252.383 2.763 20 10 CFCDRN Nc1ccc(CC(=O)NCCC2CCCCC2)cc1 ZINC000037740192 173660903 /nfs/dbraw/zinc/66/09/03/173660903.db2.gz XCVXQSWQWHWILX-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN CCC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423916 176704956 /nfs/dbraw/zinc/70/49/56/176704956.db2.gz KLHIZLPFPLLSRS-HNNXBMFYSA-N 0 0 278.396 2.876 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cncs1 ZINC000348663819 226505613 /nfs/dbraw/zinc/50/56/13/226505613.db2.gz FUNBJOHYPUBSMQ-UHFFFAOYSA-N 0 0 299.399 2.802 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC(F)F ZINC000350043440 226919412 /nfs/dbraw/zinc/91/94/12/226919412.db2.gz WFTUNZVXXUKLQQ-UHFFFAOYSA-N 0 0 295.333 2.893 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000350081797 226925729 /nfs/dbraw/zinc/92/57/29/226925729.db2.gz PMRVTRIOWNKOAK-GXFFZTMASA-N 0 0 271.364 2.694 20 10 CFCDRN Cc1ncccc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001240729558 782023430 /nfs/dbraw/zinc/02/34/30/782023430.db2.gz YGQSIKVKJQSEFE-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cc1cnc(F)c(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001243165029 782026684 /nfs/dbraw/zinc/02/66/84/782026684.db2.gz OJPWZLWYRRADOY-UHFFFAOYSA-N 0 0 283.310 2.695 20 10 CFCDRN COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000298794808 260162393 /nfs/dbraw/zinc/16/23/93/260162393.db2.gz UTAFKBVDBKWSII-ZDUSSCGKSA-N 0 0 285.343 2.540 20 10 CFCDRN Cc1nn(Cc2ccc(N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000299234341 260175477 /nfs/dbraw/zinc/17/54/77/260175477.db2.gz SZLAMPIZDKDYMK-UHFFFAOYSA-N 0 0 274.324 2.522 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000299248706 263236186 /nfs/dbraw/zinc/23/61/86/263236186.db2.gz DAXZFQYOWYOTMN-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN O=Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)co1 ZINC000934945177 649859983 /nfs/dbraw/zinc/85/99/83/649859983.db2.gz XFUNKSSWDGSMAS-UHFFFAOYSA-N 0 0 299.326 2.607 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000934942930 649859704 /nfs/dbraw/zinc/85/97/04/649859704.db2.gz RNTLRJVUBWEFLJ-NSHDSACASA-N 0 0 299.317 2.843 20 10 CFCDRN CCCCC1(C(=O)NCc2cc(OC)ccc2O)CC1 ZINC000934942169 649859948 /nfs/dbraw/zinc/85/99/48/649859948.db2.gz KGNFSEKIHDSXCD-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CCCC[C@H]21 ZINC000367839488 267121209 /nfs/dbraw/zinc/12/12/09/267121209.db2.gz MCVSYGQCBIBTKE-ZYARKTQMSA-N 0 0 273.332 2.512 20 10 CFCDRN Nc1ccc(CC(=O)Nc2cccc3c2OCCC3)cc1 ZINC000368454336 267173667 /nfs/dbraw/zinc/17/36/67/267173667.db2.gz QZHYDSUXKQDIEH-UHFFFAOYSA-N 0 0 282.343 2.775 20 10 CFCDRN Cc1ccn(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC000369294918 267232353 /nfs/dbraw/zinc/23/23/53/267232353.db2.gz TYOAGKLHHOMBBA-UHFFFAOYSA-N 0 0 289.354 2.873 20 10 CFCDRN c1cc2c(ncnc2N2CC=C(c3cccnc3)CC2)[nH]1 ZINC000371590479 267433562 /nfs/dbraw/zinc/43/35/62/267433562.db2.gz YQMYPFMWOPIGMA-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN CCC(C)(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372322445 267547596 /nfs/dbraw/zinc/54/75/96/267547596.db2.gz XSFYJLDWAVNFAT-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN C[C@H]1C[C@H]1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374282411 267774070 /nfs/dbraw/zinc/77/40/70/267774070.db2.gz GWHCWQSELOOHSS-BLLLJJGKSA-N 0 0 270.376 2.634 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H]3CCCCC[C@H]32)c(O)c1O ZINC000374771686 267812902 /nfs/dbraw/zinc/81/29/02/267812902.db2.gz PBUMPNAVFGDQAJ-WCQYABFASA-N 0 0 275.348 2.811 20 10 CFCDRN Nc1ccc(N2CC=C(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000376410158 267973861 /nfs/dbraw/zinc/97/38/61/267973861.db2.gz UMYSTNDZOGMVTE-UHFFFAOYSA-N 0 0 296.330 2.866 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCCCO1 ZINC000163183496 276804222 /nfs/dbraw/zinc/80/42/22/276804222.db2.gz KAYQHUCDGLXYIT-CQSZACIVSA-N 0 0 276.380 2.521 20 10 CFCDRN CC[C@H]([NH2+]CCOCCOC)c1cccc(Cl)c1[O-] ZINC000287760429 288042033 /nfs/dbraw/zinc/04/20/33/288042033.db2.gz QUIWGUBAUZXORP-ZDUSSCGKSA-N 0 0 287.787 2.749 20 10 CFCDRN CC[C@H]([NH2+]Cc1nncn1CC)c1cccc(Cl)c1[O-] ZINC000287547427 288051285 /nfs/dbraw/zinc/05/12/85/288051285.db2.gz FKHCUHCDRKFWOH-LBPRGKRZSA-N 0 0 294.786 2.898 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCSc2ncccc21 ZINC000493678307 279723527 /nfs/dbraw/zinc/72/35/27/279723527.db2.gz VTCTULIKPMMAEP-ONEGZZNKSA-N 0 0 289.385 2.690 20 10 CFCDRN CC[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177667451 288194757 /nfs/dbraw/zinc/19/47/57/288194757.db2.gz JLKFHOYHBCAXSK-NSHDSACASA-N 0 0 263.337 2.811 20 10 CFCDRN C[C@H]1c2cccn2CCN1Cc1cccc(F)c1O ZINC000272311707 280133944 /nfs/dbraw/zinc/13/39/44/280133944.db2.gz RRTHPTXLTWCNBZ-NSHDSACASA-N 0 0 260.312 2.910 20 10 CFCDRN C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000124608923 290317429 /nfs/dbraw/zinc/31/74/29/290317429.db2.gz NVOXMEZSLAALFY-QWHCGFSZSA-N 0 0 280.799 2.714 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000273606686 294459934 /nfs/dbraw/zinc/45/99/34/294459934.db2.gz UHOFFLWYNFPWNJ-QMTHXVAHSA-N 0 0 282.340 2.622 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000126269525 304549303 /nfs/dbraw/zinc/54/93/03/304549303.db2.gz QGDHUQFGVXWHQZ-AAEUAGOBSA-N 0 0 275.348 2.893 20 10 CFCDRN C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000297159262 298445180 /nfs/dbraw/zinc/44/51/80/298445180.db2.gz CSKKRMXTRHYJSK-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H](CC(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000413530826 328148897 /nfs/dbraw/zinc/14/88/97/328148897.db2.gz KKQRPTLQHBHTOB-SNVBAGLBSA-N 0 0 298.333 2.769 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N3CCCC3)cc12 ZINC000421203617 329805700 /nfs/dbraw/zinc/80/57/00/329805700.db2.gz RPBDZOGFTHXBDW-UHFFFAOYSA-N 0 0 286.375 2.796 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnnn1CC)c1cccc(Cl)c1[O-] ZINC000527918470 330295389 /nfs/dbraw/zinc/29/53/89/330295389.db2.gz YOYVYXOCNPEOQT-CYBMUJFWSA-N 0 0 294.786 2.898 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527925883 330296621 /nfs/dbraw/zinc/29/66/21/330296621.db2.gz JYFVLDZOWMFHDO-VXGBXAGGSA-N 0 0 267.344 2.999 20 10 CFCDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000527990587 330299185 /nfs/dbraw/zinc/29/91/85/330299185.db2.gz PHVYOIJPVOCVES-LLVKDONJSA-N 0 0 290.338 2.828 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccccc1F ZINC000491169718 332160765 /nfs/dbraw/zinc/16/07/65/332160765.db2.gz ZVMAYDRYARTHJW-BQYQJAHWSA-N 0 0 271.295 2.682 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000491749382 332325930 /nfs/dbraw/zinc/32/59/30/332325930.db2.gz QSGPRZGZCLMEJD-LJTDUEICSA-N 0 0 280.327 2.909 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2cccc(F)c21 ZINC000492189877 332386501 /nfs/dbraw/zinc/38/65/01/332386501.db2.gz XQNLIJCYOZAWGG-PLNGDYQASA-N 0 0 286.281 2.962 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1OC ZINC000492266799 332389815 /nfs/dbraw/zinc/38/98/15/332389815.db2.gz AVGJJRMJUOYBCR-ZHACJKMWSA-N 0 0 299.374 2.803 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1OC ZINC000492403866 332395872 /nfs/dbraw/zinc/39/58/72/332395872.db2.gz ZYLHVFOSJSKRLJ-HJWRWDBZSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2ncccc21 ZINC000492415639 332396435 /nfs/dbraw/zinc/39/64/35/332396435.db2.gz LBLHEUYSXZWCRL-CFHLNLSMSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccnc(C)c2)s1 ZINC000492641932 332407574 /nfs/dbraw/zinc/40/75/74/332407574.db2.gz PHWKNROUQPPSDF-SNAWJCMRSA-N 0 0 273.361 2.831 20 10 CFCDRN CSc1cccc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492864177 332416640 /nfs/dbraw/zinc/41/66/40/332416640.db2.gz NBYSIHSKHIEFEX-SREVYHEPSA-N 0 0 273.361 2.808 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cccnc1 ZINC000194833796 333278123 /nfs/dbraw/zinc/27/81/23/333278123.db2.gz ZQFIELINFAEDRM-QPJJXVBHSA-N 0 0 280.327 2.693 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529637723 333502296 /nfs/dbraw/zinc/50/22/96/333502296.db2.gz WKDRJPJCJLOSIS-NSHDSACASA-N 0 0 269.772 2.952 20 10 CFCDRN CC[C@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000133778658 334055380 /nfs/dbraw/zinc/05/53/80/334055380.db2.gz WCUSUNZVBKYCEE-SUMWQHHRSA-N 0 0 288.391 2.914 20 10 CFCDRN CC(C)CSCCNC(=O)N(C)Cc1ccccc1O ZINC000270438380 519768939 /nfs/dbraw/zinc/76/89/39/519768939.db2.gz NRWROFAPIRDKOV-UHFFFAOYSA-N 0 0 296.436 2.923 20 10 CFCDRN Cn1ccc(-c2ccc3c4c(ccnc24)CCO3)cc1=O ZINC001240991237 782155694 /nfs/dbraw/zinc/15/56/94/782155694.db2.gz FDCMWGSXSPAVPA-UHFFFAOYSA-N 0 0 278.311 2.535 20 10 CFCDRN CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278142055 521037265 /nfs/dbraw/zinc/03/72/65/521037265.db2.gz BDAJYDVTMJFBOQ-JTQLQIEISA-N 0 0 282.340 2.929 20 10 CFCDRN CCC[C@H](CC)NC(=O)NCc1ccccc1O ZINC000263705228 521076826 /nfs/dbraw/zinc/07/68/26/521076826.db2.gz JEZOPQXKLGBXAU-LBPRGKRZSA-N 0 0 250.342 2.770 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191185253 521658038 /nfs/dbraw/zinc/65/80/38/521658038.db2.gz RIVDTNAPKVWXSA-QWRGUYRKSA-N 0 0 284.350 2.805 20 10 CFCDRN CC(C)(C)[C@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000231075653 518956546 /nfs/dbraw/zinc/95/65/46/518956546.db2.gz VRDWSXGLDBLVDD-LBPRGKRZSA-N 0 0 271.788 2.932 20 10 CFCDRN CC(=O)C(=O)COc1ccc(SC(F)(F)F)cc1 ZINC000289717108 519357178 /nfs/dbraw/zinc/35/71/78/519357178.db2.gz RWRRVICQHMSXMC-UHFFFAOYSA-N 0 0 278.251 2.835 20 10 CFCDRN CC(=O)C(=O)CSC1=Nc2ccccc2CS1 ZINC000289713916 519357371 /nfs/dbraw/zinc/35/73/71/519357371.db2.gz RPTYLFNIQVSKDT-UHFFFAOYSA-N 0 0 265.359 2.812 20 10 CFCDRN CC(=O)C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000289645818 519357935 /nfs/dbraw/zinc/35/79/35/519357935.db2.gz NLBRUPRHMTWQJK-UHFFFAOYSA-N 0 0 290.344 2.604 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)Cc2ccccc2O)[nH]n1 ZINC000048606782 519831131 /nfs/dbraw/zinc/83/11/31/519831131.db2.gz GCUMPGMIOCNSBW-UHFFFAOYSA-N 0 0 273.336 2.511 20 10 CFCDRN CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000177712223 519845979 /nfs/dbraw/zinc/84/59/79/519845979.db2.gz YYJMIMYMBSOESV-UHFFFAOYSA-N 0 0 250.298 2.723 20 10 CFCDRN CCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000049117111 519854920 /nfs/dbraw/zinc/85/49/20/519854920.db2.gz JYTSUQJCKRBQSV-UHFFFAOYSA-N 0 0 260.381 2.896 20 10 CFCDRN CC(C)c1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000181613120 519890712 /nfs/dbraw/zinc/89/07/12/519890712.db2.gz AHDWVNRBANKRSW-UHFFFAOYSA-N 0 0 260.341 2.871 20 10 CFCDRN CCN(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000171016281 520185051 /nfs/dbraw/zinc/18/50/51/520185051.db2.gz RFOLOFKWSTVUGJ-UHFFFAOYSA-N 0 0 263.385 2.694 20 10 CFCDRN CCOCc1nc([C@@H](C)N[C@H](C)c2ccccc2O)no1 ZINC000290020789 520218318 /nfs/dbraw/zinc/21/83/18/520218318.db2.gz CGRXUADNORXDCD-GHMZBOCLSA-N 0 0 291.351 2.724 20 10 CFCDRN CCN(CC(=O)N1CCCCC1)c1ccc(OC)cc1 ZINC000299339769 520310618 /nfs/dbraw/zinc/31/06/18/520310618.db2.gz DPKRKJNIXRAYMV-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CCCSCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173193167 520552336 /nfs/dbraw/zinc/55/23/36/520552336.db2.gz YMMCAKDRPHYBQX-UHFFFAOYSA-N 0 0 294.420 2.621 20 10 CFCDRN CCOC(=O)CCCCN(C)c1ccc2c(c1)OCO2 ZINC000121323779 520631503 /nfs/dbraw/zinc/63/15/03/520631503.db2.gz IFPBVDCOLBLQAT-UHFFFAOYSA-N 0 0 279.336 2.585 20 10 CFCDRN CCN(CC)CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191182541 520690504 /nfs/dbraw/zinc/69/05/04/520690504.db2.gz VUZUZIATXNWFPG-SNVBAGLBSA-N 0 0 272.339 2.663 20 10 CFCDRN CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000263934105 520769102 /nfs/dbraw/zinc/76/91/02/520769102.db2.gz BPTAAKVNRDGTNY-UHFFFAOYSA-N 0 0 250.298 2.723 20 10 CFCDRN CCC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000213135494 520819081 /nfs/dbraw/zinc/81/90/81/520819081.db2.gz YFCZVNDXKSUKOS-OAHLLOKOSA-N 0 0 260.381 2.993 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCCO2)cc1 ZINC000283796732 520897534 /nfs/dbraw/zinc/89/75/34/520897534.db2.gz VBMBNUATDVMZGJ-UHFFFAOYSA-N 0 0 291.395 2.770 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CSC)cc1F ZINC000264489954 520897584 /nfs/dbraw/zinc/89/75/84/520897584.db2.gz AIYJXKDSRBEFSX-UHFFFAOYSA-N 0 0 284.400 2.651 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C2CC2)cc1 ZINC000279352004 520901135 /nfs/dbraw/zinc/90/11/35/520901135.db2.gz QLPSXLVMWLODCP-INIZCTEOSA-N 0 0 290.407 2.574 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc[nH]c2)cc1F ZINC000068448505 520903168 /nfs/dbraw/zinc/90/31/68/520903168.db2.gz SGEJAQYMZOZRCQ-UHFFFAOYSA-N 0 0 289.354 2.930 20 10 CFCDRN CCCC[C@@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000291280289 521002573 /nfs/dbraw/zinc/00/25/73/521002573.db2.gz ONMZTBWJGASNFL-SNVBAGLBSA-N 0 0 251.326 2.749 20 10 CFCDRN CCC[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156630945 521014622 /nfs/dbraw/zinc/01/46/22/521014622.db2.gz UMMFGWRYRRVAHZ-NSHDSACASA-N 0 0 265.353 2.583 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nonc2C)cc1 ZINC000265111904 521027690 /nfs/dbraw/zinc/02/76/90/521027690.db2.gz HSZQATZJRPJEGO-UHFFFAOYSA-N 0 0 261.325 2.803 20 10 CFCDRN CCN(CCOCC(F)F)c1ccc(OC)cc1 ZINC000276255335 521140327 /nfs/dbraw/zinc/14/03/27/521140327.db2.gz QHOCVMHZVMNPJU-UHFFFAOYSA-N 0 0 259.296 2.803 20 10 CFCDRN CCCC[C@H](COC)NC(=O)N(C)Cc1ccccc1O ZINC000077624660 521194746 /nfs/dbraw/zinc/19/47/46/521194746.db2.gz PDAZIZKPHMILHV-CQSZACIVSA-N 0 0 294.395 2.739 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NOCC(C)C ZINC000120434407 521317401 /nfs/dbraw/zinc/31/74/01/521317401.db2.gz WGDUYSWWPYJYKX-UHFFFAOYSA-N 0 0 293.411 2.872 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1C ZINC000263809662 521320932 /nfs/dbraw/zinc/32/09/32/521320932.db2.gz MUMFAKCXXZVXSD-UHFFFAOYSA-N 0 0 287.363 2.711 20 10 CFCDRN CCOc1cccc(CN(CCO)c2ccccc2)c1O ZINC000191970852 521333941 /nfs/dbraw/zinc/33/39/41/521333941.db2.gz KAJSTIHWFSWYEX-UHFFFAOYSA-N 0 0 287.359 2.790 20 10 CFCDRN CCCc1nc(C(=O)N(C)Cc2ccccc2O)co1 ZINC000273529862 521473903 /nfs/dbraw/zinc/47/39/03/521473903.db2.gz QZXVNZQAJAFPMH-UHFFFAOYSA-N 0 0 274.320 2.605 20 10 CFCDRN CCOC(=O)c1cccnc1N(C)Cc1ccccc1O ZINC000302649948 521556439 /nfs/dbraw/zinc/55/64/39/521556439.db2.gz MUJHOKSIBAZBMF-UHFFFAOYSA-N 0 0 286.331 2.600 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000282293380 521689435 /nfs/dbraw/zinc/68/94/35/521689435.db2.gz FQYABTXYJSYMSD-XJKCOSOUSA-N 0 0 291.391 2.944 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccncc1 ZINC000299586100 521689915 /nfs/dbraw/zinc/68/99/15/521689915.db2.gz DIVVUGZKIHKUMU-UHFFFAOYSA-N 0 0 270.332 2.840 20 10 CFCDRN CCSCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000278349842 521708742 /nfs/dbraw/zinc/70/87/42/521708742.db2.gz IORDOFMVQUNPRV-UHFFFAOYSA-N 0 0 290.226 2.997 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278334932 521870705 /nfs/dbraw/zinc/87/07/05/521870705.db2.gz ZTQWVKYLHXEYFM-GHMZBOCLSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278251126 521872569 /nfs/dbraw/zinc/87/25/69/521872569.db2.gz PCHWCTJMMSEUCP-SNVBAGLBSA-N 0 0 280.324 2.541 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325884 521875061 /nfs/dbraw/zinc/87/50/61/521875061.db2.gz YRKHWFVUTVJJEX-WDEREUQCSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000278225532 521876863 /nfs/dbraw/zinc/87/68/63/521876863.db2.gz MCPODSSUNDRCHD-JTQLQIEISA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000278498225 521881521 /nfs/dbraw/zinc/88/15/21/521881521.db2.gz NFFWYEIEWJLUFK-LBPRGKRZSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@H](CC(=O)NCCc1ccc(N)cc1)C(C)C ZINC000236930520 522100777 /nfs/dbraw/zinc/10/07/77/522100777.db2.gz ALEPBLSAMLDNIH-CQSZACIVSA-N 0 0 262.397 3.000 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000279879665 522136904 /nfs/dbraw/zinc/13/69/04/522136904.db2.gz GBFDCNSDGJRFQA-QWRGUYRKSA-N 0 0 295.404 2.583 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OCC(F)(F)F)cc1 ZINC000087304502 522168651 /nfs/dbraw/zinc/16/86/51/522168651.db2.gz UCNJWJZZQPUMCD-UHFFFAOYSA-N 0 0 290.285 2.883 20 10 CFCDRN CN(C)c1ccc(CN2C[C@@H](CO)c3ccccc32)cc1 ZINC000292832701 522185306 /nfs/dbraw/zinc/18/53/06/522185306.db2.gz ZANMBPXCXNYYCR-HNNXBMFYSA-N 0 0 282.387 2.849 20 10 CFCDRN CN(C)c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000277956354 522238272 /nfs/dbraw/zinc/23/82/72/522238272.db2.gz WKHINWHWZCFDJT-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CCc1nc(CN(CC)c2ccc(OC)cc2)no1 ZINC000264687155 522290632 /nfs/dbraw/zinc/29/06/32/522290632.db2.gz FQNUCLDUEIMXJH-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN COC(=O)c1cnc(SCc2ccn(C(C)C)n2)s1 ZINC000295397714 522343337 /nfs/dbraw/zinc/34/33/37/522343337.db2.gz VWNDBELBPWBPOD-UHFFFAOYSA-N 0 0 297.405 2.999 20 10 CFCDRN COC(=O)c1coc(CN2CCc3cc(OC)ccc32)c1 ZINC000263756854 522368239 /nfs/dbraw/zinc/36/82/39/522368239.db2.gz AHRAMMCKIPYADU-UHFFFAOYSA-N 0 0 287.315 2.638 20 10 CFCDRN COC(C)(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000279984648 522471234 /nfs/dbraw/zinc/47/12/34/522471234.db2.gz VHYGAFHAJPTWML-UHFFFAOYSA-N 0 0 291.391 2.702 20 10 CFCDRN CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(O)c1O ZINC000275417383 522609810 /nfs/dbraw/zinc/60/98/10/522609810.db2.gz HTYVMMNXNULSJS-UHFFFAOYSA-N 0 0 297.354 2.902 20 10 CFCDRN C[N@H+](CCCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000276639103 522739854 /nfs/dbraw/zinc/73/98/54/522739854.db2.gz KOAMADBYVJQCID-UHFFFAOYSA-N 0 0 278.179 2.903 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000273020496 522745513 /nfs/dbraw/zinc/74/55/13/522745513.db2.gz BVUSYBKUSPMQOD-SECBINFHSA-N 0 0 293.392 2.666 20 10 CFCDRN CN(CCCOCC(F)(F)F)c1ccc(N)cc1 ZINC000049312619 522777576 /nfs/dbraw/zinc/77/75/76/522777576.db2.gz PVJXBRVLZDLJHA-UHFFFAOYSA-N 0 0 262.275 2.674 20 10 CFCDRN CC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000229969671 522817603 /nfs/dbraw/zinc/81/76/03/522817603.db2.gz QCCPJBBEFSALSM-VIFPVBQESA-N 0 0 264.152 2.560 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC3(C2)CCCC3)cc1OC ZINC000365052714 522973017 /nfs/dbraw/zinc/97/30/17/522973017.db2.gz JQWPVWIWECADCM-UHFFFAOYSA-N 0 0 292.335 2.992 20 10 CFCDRN COCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191205726 523176528 /nfs/dbraw/zinc/17/65/28/523176528.db2.gz OEJKGMMJDWKWIF-SECBINFHSA-N 0 0 259.296 2.748 20 10 CFCDRN COCc1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302361778 523285052 /nfs/dbraw/zinc/28/50/52/523285052.db2.gz FQRTUOAXJBNGDJ-JTQLQIEISA-N 0 0 292.408 2.924 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000053916574 523384648 /nfs/dbraw/zinc/38/46/48/523384648.db2.gz QLIAEXMDJMVCOF-UHFFFAOYSA-N 0 0 287.363 2.616 20 10 CFCDRN CO[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000189115176 523419871 /nfs/dbraw/zinc/41/98/71/523419871.db2.gz YUWHKLUDKLHWCI-ZDUSSCGKSA-N 0 0 286.375 2.859 20 10 CFCDRN CCn1cc(NCc2cc(Br)ccc2O)cn1 ZINC000121863195 523437024 /nfs/dbraw/zinc/43/70/24/523437024.db2.gz PWTTVVARADJVSV-UHFFFAOYSA-N 0 0 296.168 2.983 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@@H](C)[S@]1=O ZINC000289565037 523448145 /nfs/dbraw/zinc/44/81/45/523448145.db2.gz JEOSECFWKBMGMO-RCDCFZSISA-N 0 0 295.448 2.740 20 10 CFCDRN CC[C@](C)(OC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000280014913 523515338 /nfs/dbraw/zinc/51/53/38/523515338.db2.gz JDRGYQCSEDNUAF-KRWDZBQOSA-N 0 0 290.407 2.500 20 10 CFCDRN COC(=O)[C@@H](CC(C)C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036980808 523568828 /nfs/dbraw/zinc/56/88/28/523568828.db2.gz GPZOZABKGOEVMV-SMDDNHRTSA-N 0 0 295.379 2.639 20 10 CFCDRN COC(=O)[C@@H](Cc1ccccc1)NCc1cc(C)ccc1O ZINC000276456171 523596755 /nfs/dbraw/zinc/59/67/55/523596755.db2.gz KPPOJXJDCXQASQ-MRXNPFEDSA-N 0 0 299.370 2.575 20 10 CFCDRN CCc1[nH]ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000286052889 523661891 /nfs/dbraw/zinc/66/18/91/523661891.db2.gz LBAUVZPYCCNVNL-UHFFFAOYSA-N 0 0 299.374 2.682 20 10 CFCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000265972927 523713724 /nfs/dbraw/zinc/71/37/24/523713724.db2.gz AAJQUNHKSMOKBD-UHFFFAOYSA-N 0 0 298.386 3.000 20 10 CFCDRN CN1CCCc2cc(CNC(=O)CSC3CC3)ccc21 ZINC000294612776 523859626 /nfs/dbraw/zinc/85/96/26/523859626.db2.gz DQYJSQXYEMIWSE-UHFFFAOYSA-N 0 0 290.432 2.581 20 10 CFCDRN COC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(OC)ccc1O ZINC000036980806 523895659 /nfs/dbraw/zinc/89/56/59/523895659.db2.gz GPZOZABKGOEVMV-FZMZJTMJSA-N 0 0 295.379 2.639 20 10 CFCDRN COC(=O)[C@H](c1ccsc1)N(C)Cc1ccccc1O ZINC000280125886 523942357 /nfs/dbraw/zinc/94/23/57/523942357.db2.gz VNYYVOOOQNJRMT-AWEZNQCLSA-N 0 0 291.372 2.800 20 10 CFCDRN C[N@@H+]1CC[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000366534762 523977251 /nfs/dbraw/zinc/97/72/51/523977251.db2.gz LUXWEPWUIMNXGO-OAHLLOKOSA-N 0 0 298.789 2.712 20 10 CFCDRN Cc1ccc(C)c(CC(=O)NCCc2ccc(N)cc2)c1 ZINC000053141459 524091237 /nfs/dbraw/zinc/09/12/37/524091237.db2.gz WDJBFDRMBPDGPZ-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccccc1 ZINC000268852058 524117191 /nfs/dbraw/zinc/11/71/91/524117191.db2.gz PEVUKZQCIIYPIA-LBPRGKRZSA-N 0 0 286.375 2.595 20 10 CFCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000264329467 524221115 /nfs/dbraw/zinc/22/11/15/524221115.db2.gz SEJJIOUSVWKDLB-SWLSCSKDSA-N 0 0 275.396 2.740 20 10 CFCDRN Cc1ccc(CC(=O)NCCc2ccc(N)cc2)s1 ZINC000237669722 524263099 /nfs/dbraw/zinc/26/30/99/524263099.db2.gz SZRMGCIKAPCSNK-UHFFFAOYSA-N 0 0 274.389 2.540 20 10 CFCDRN C[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000105311048 524331702 /nfs/dbraw/zinc/33/17/02/524331702.db2.gz LUGGCKUEHKKHIC-YPMHNXCESA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1cccc(CN2CCOC[C@H]2CC(F)F)c1O ZINC000289691856 524404819 /nfs/dbraw/zinc/40/48/19/524404819.db2.gz OIMBKMUWQDYCFC-GFCCVEGCSA-N 0 0 271.307 2.557 20 10 CFCDRN COc1ccc(N2CCN(C(=O)CC3CCC3)CC2)cc1 ZINC000173060151 524407657 /nfs/dbraw/zinc/40/76/57/524407657.db2.gz IYBFJIAQQIAIIH-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN COc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000049807534 524581891 /nfs/dbraw/zinc/58/18/91/524581891.db2.gz AWFUHISUKJQLHQ-VQHVLOKHSA-N 0 0 285.299 2.758 20 10 CFCDRN C[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289972914 524730907 /nfs/dbraw/zinc/73/09/07/524730907.db2.gz ZMUAEYBAUMSUBD-QWRGUYRKSA-N 0 0 269.772 2.808 20 10 CFCDRN C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192909402 524806544 /nfs/dbraw/zinc/80/65/44/524806544.db2.gz OTHFDRWYCVMLRJ-BQBZGAKWSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000077422458 524816278 /nfs/dbraw/zinc/81/62/78/524816278.db2.gz NBTRTZHXHHKJBE-YUMQZZPRSA-N 0 0 278.179 2.806 20 10 CFCDRN C[C@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273088667 524896517 /nfs/dbraw/zinc/89/65/17/524896517.db2.gz SERYRZOGUQGNDZ-NWDGAFQWSA-N 0 0 294.351 2.595 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000301293925 525020766 /nfs/dbraw/zinc/02/07/66/525020766.db2.gz OOEVCHOKWUUZCX-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289972908 525131579 /nfs/dbraw/zinc/13/15/79/525131579.db2.gz ZMUAEYBAUMSUBD-GHMZBOCLSA-N 0 0 269.772 2.808 20 10 CFCDRN C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000277531697 525141964 /nfs/dbraw/zinc/14/19/64/525141964.db2.gz PXOPCVYQFSGKFW-BXKDBHETSA-N 0 0 255.745 2.560 20 10 CFCDRN Cc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000301239111 525293052 /nfs/dbraw/zinc/29/30/52/525293052.db2.gz LTGVCWODVZFGGX-AWEZNQCLSA-N 0 0 298.390 2.795 20 10 CFCDRN CSCCCCC(=O)NCc1ccc2c(c1)CCN2C ZINC000364437981 525403975 /nfs/dbraw/zinc/40/39/75/525403975.db2.gz CSTNFFAJINIOEB-UHFFFAOYSA-N 0 0 292.448 2.828 20 10 CFCDRN C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1[O-] ZINC000087017036 525422565 /nfs/dbraw/zinc/42/25/65/525422565.db2.gz HQODMIAPHRWGSX-LLVKDONJSA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000158034260 525444553 /nfs/dbraw/zinc/44/45/53/525444553.db2.gz XOWFKRSRJNKPML-LBPRGKRZSA-N 0 0 278.396 2.572 20 10 CFCDRN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276925929 525487653 /nfs/dbraw/zinc/48/76/53/525487653.db2.gz NHYNQYFSFZTMAU-KSBSHMNSSA-N 0 0 299.239 2.634 20 10 CFCDRN Cc1cc2c(N3CC=C(c4cccnc4)CC3)nccn2n1 ZINC000365049498 525588548 /nfs/dbraw/zinc/58/85/48/525588548.db2.gz WYQGWAJSNZQLMJ-UHFFFAOYSA-N 0 0 291.358 2.726 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000300418730 525626697 /nfs/dbraw/zinc/62/66/97/525626697.db2.gz BCGGUGWTYJDBFB-FGEZKYSXSA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273472152 525627262 /nfs/dbraw/zinc/62/72/62/525627262.db2.gz JVUVSAFMCMMUPW-GHMZBOCLSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1ccnc(Sc2nccs2)c1[N+](=O)[O-] ZINC000301284635 525711619 /nfs/dbraw/zinc/71/16/19/525711619.db2.gz LJJKSAZRNBCQFT-UHFFFAOYSA-N 0 0 253.308 2.906 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000278821721 525779706 /nfs/dbraw/zinc/77/97/06/525779706.db2.gz ZNYKYMPCCPHEFJ-HNNXBMFYSA-N 0 0 275.323 2.663 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000226363803 525904170 /nfs/dbraw/zinc/90/41/70/525904170.db2.gz XZSLPUVBACPPFT-KGLIPLIRSA-N 0 0 278.421 2.602 20 10 CFCDRN C[C@H](OCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000237583571 525920428 /nfs/dbraw/zinc/92/04/28/525920428.db2.gz WEIOZVUQRNNCLH-AWEZNQCLSA-N 0 0 298.386 2.533 20 10 CFCDRN Cc1cnc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000180683482 526007748 /nfs/dbraw/zinc/00/77/48/526007748.db2.gz CZJOVMRNYSVJCZ-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN COc1cccc(CNc2ccc(CCO)cc2)c1O ZINC000040738181 526041960 /nfs/dbraw/zinc/04/19/60/526041960.db2.gz RJMAMVRTUNCYHX-UHFFFAOYSA-N 0 0 273.332 2.548 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000178459434 526080538 /nfs/dbraw/zinc/08/05/38/526080538.db2.gz XYDNRXQXGONQHY-JTQLQIEISA-N 0 0 264.344 2.554 20 10 CFCDRN CSc1ccccc1C(=O)N1CCSC[C@@H]1C ZINC000172509697 526149397 /nfs/dbraw/zinc/14/93/97/526149397.db2.gz FLEQGHOJFPKSDO-JTQLQIEISA-N 0 0 267.419 2.986 20 10 CFCDRN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000237423379 526180554 /nfs/dbraw/zinc/18/05/54/526180554.db2.gz KOXSOMHAOMVBGZ-CYBMUJFWSA-N 0 0 276.380 2.582 20 10 CFCDRN Cc1nnc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000289952156 526328729 /nfs/dbraw/zinc/32/87/29/526328729.db2.gz WMJRIINSKLYHDV-QMMMGPOBSA-N 0 0 281.356 2.585 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290559417 526330758 /nfs/dbraw/zinc/33/07/58/526330758.db2.gz SFVPGHMHWFXTMK-VNQPRFMTSA-N 0 0 269.319 2.959 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000294177563 526332155 /nfs/dbraw/zinc/33/21/55/526332155.db2.gz JNFUGZMUHHKQBG-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN Oc1ccc(CCNc2ccc(C(F)(F)F)nn2)cc1O ZINC000301969502 526343503 /nfs/dbraw/zinc/34/35/03/526343503.db2.gz QKHYFTOIXVPXHR-UHFFFAOYSA-N 0 0 299.252 2.561 20 10 CFCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000289612276 526349377 /nfs/dbraw/zinc/34/93/77/526349377.db2.gz VWQGDGXMYBIDAB-CQSZACIVSA-N 0 0 275.327 2.982 20 10 CFCDRN Cc1nnc(NCc2ccc(N3CCCCC3)cc2)n1C ZINC000162008116 526371188 /nfs/dbraw/zinc/37/11/88/526371188.db2.gz JZFNGXUFPUIWEQ-UHFFFAOYSA-N 0 0 285.395 2.726 20 10 CFCDRN Cc1noc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000264120564 526541858 /nfs/dbraw/zinc/54/18/58/526541858.db2.gz WZTHPZKJUOOGQH-UHFFFAOYSA-N 0 0 275.308 2.661 20 10 CFCDRN c1cnc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000301086104 526542320 /nfs/dbraw/zinc/54/23/20/526542320.db2.gz LJARSCPWEQAPRJ-UHFFFAOYSA-N 0 0 286.404 2.642 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccncc1 ZINC000075504076 526636097 /nfs/dbraw/zinc/63/60/97/526636097.db2.gz NCWJOLLJMRNRHD-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc[nH]c1 ZINC000068276473 526681109 /nfs/dbraw/zinc/68/11/09/526681109.db2.gz FSARGKASHBOHBP-UHFFFAOYSA-N 0 0 269.348 2.545 20 10 CFCDRN Cc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000073407392 526690326 /nfs/dbraw/zinc/69/03/26/526690326.db2.gz XGLOKXGZFDGPTP-UHFFFAOYSA-N 0 0 287.363 2.630 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCCC1(F)F ZINC000295042039 526756119 /nfs/dbraw/zinc/75/61/19/526756119.db2.gz JGPNMJRSIZVWEN-NSHDSACASA-N 0 0 269.291 2.834 20 10 CFCDRN O=C(N[C@@H]1CCCc2occc21)c1c(F)ccc(O)c1O ZINC000276751293 526915703 /nfs/dbraw/zinc/91/57/03/526915703.db2.gz WBPHZJLRDRXAEY-SNVBAGLBSA-N 0 0 291.278 2.637 20 10 CFCDRN Cn1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000292258226 527336988 /nfs/dbraw/zinc/33/69/88/527336988.db2.gz FKHOJBHGTKUAQW-XFFZJAGNSA-N 0 0 278.402 2.779 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000157673549 527476224 /nfs/dbraw/zinc/47/62/24/527476224.db2.gz VQOHZKSLRYFIJB-OAHLLOKOSA-N 0 0 280.371 2.658 20 10 CFCDRN Nc1ccc(CC(=O)NCCCOC2CCCCC2)cc1 ZINC000040829808 527476574 /nfs/dbraw/zinc/47/65/74/527476574.db2.gz OYQFVMQCYFBZOW-UHFFFAOYSA-N 0 0 290.407 2.667 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000237947099 527480701 /nfs/dbraw/zinc/48/07/01/527480701.db2.gz VPEAFHFWEZSAAP-IRXDYDNUSA-N 0 0 298.361 2.870 20 10 CFCDRN O=C(NC1CCC2(CC2)CC1)c1cccc(O)c1O ZINC000277690096 527503242 /nfs/dbraw/zinc/50/32/42/527503242.db2.gz VBVYSWGLTOBBIS-UHFFFAOYSA-N 0 0 261.321 2.550 20 10 CFCDRN [O-]c1c(F)cccc1C[N@H+]1CCC12CCC(CO)CC2 ZINC000361055802 527528947 /nfs/dbraw/zinc/52/89/47/527528947.db2.gz XJNSODFCCXJSLA-UHFFFAOYSA-N 0 0 279.355 2.658 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291843912 527611816 /nfs/dbraw/zinc/61/18/16/527611816.db2.gz FCGALLGBVDPFKI-GALSZHCDSA-N 0 0 299.370 2.902 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCCC1 ZINC000180580622 527612492 /nfs/dbraw/zinc/61/24/92/527612492.db2.gz KIIUTRVMFNYSKB-SOFGYWHQSA-N 0 0 261.321 2.514 20 10 CFCDRN CC[C@H](C)OCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348635342 529185138 /nfs/dbraw/zinc/18/51/38/529185138.db2.gz RIGVWQGDHRZGCO-LBPRGKRZSA-N 0 0 288.391 2.918 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccncc1 ZINC000493457091 535654648 /nfs/dbraw/zinc/65/46/48/535654648.db2.gz SZGBNDKRTOIKCX-SNAWJCMRSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@@H](C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1)C(=O)[O-] ZINC000736581634 574061361 /nfs/dbraw/zinc/06/13/61/574061361.db2.gz BOAXIOUCPMABHK-NSHDSACASA-N 0 0 289.375 2.566 20 10 CFCDRN CN(CC[C@H]1CCCCO1)c1ccc2c(c1)OCO2 ZINC000754076737 574069934 /nfs/dbraw/zinc/06/99/34/574069934.db2.gz WLVPLKCGPHZKTD-CYBMUJFWSA-N 0 0 263.337 2.811 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCOC2)cc1 ZINC000754145462 574077388 /nfs/dbraw/zinc/07/73/88/574077388.db2.gz AXJDNPPGHMIXRA-KRWDZBQOSA-N 0 0 290.407 2.576 20 10 CFCDRN CN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1cn[nH]c1 ZINC000754336687 574089458 /nfs/dbraw/zinc/08/94/58/574089458.db2.gz BRNNMONVQRTWLA-WAYWQWQTSA-N 0 0 290.392 2.840 20 10 CFCDRN CCOC(=O)/C(=C/c1cccnc1Cl)c1nccn1C ZINC000728697593 574104869 /nfs/dbraw/zinc/10/48/69/574104869.db2.gz SRCQUXIZCBATPV-PKNBQFBNSA-N 0 0 291.738 2.572 20 10 CFCDRN COC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731014710 574107344 /nfs/dbraw/zinc/10/73/44/574107344.db2.gz GQAQUFALPOUPCU-UHFFFAOYSA-N 0 0 262.353 2.779 20 10 CFCDRN CN(C)c1cccc(CNC(=S)Nc2ccccc2)n1 ZINC000754694362 574114141 /nfs/dbraw/zinc/11/41/41/574114141.db2.gz ZPCOSALSSFSSEL-UHFFFAOYSA-N 0 0 286.404 2.634 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756733410 574128949 /nfs/dbraw/zinc/12/89/49/574128949.db2.gz QZLRGSMJIOKYSK-APPZFPTMSA-N 0 0 259.321 2.827 20 10 CFCDRN COc1ccc2c(c1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000731870049 574131255 /nfs/dbraw/zinc/13/12/55/574131255.db2.gz IVIXRRYJKXXHAA-UHFFFAOYSA-N 0 0 289.356 2.661 20 10 CFCDRN CCC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728942486 574140805 /nfs/dbraw/zinc/14/08/05/574140805.db2.gz VRVGXZPQJRTFKC-WDEREUQCSA-N 0 0 280.368 2.950 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C)c1 ZINC000728977866 574143267 /nfs/dbraw/zinc/14/32/67/574143267.db2.gz GGKATWVFYHYJJJ-QMMMGPOBSA-N 0 0 292.360 2.657 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2occc2C)c1 ZINC000728980189 574143383 /nfs/dbraw/zinc/14/33/83/574143383.db2.gz XLORJMIRZACXCU-JTQLQIEISA-N 0 0 275.304 2.793 20 10 CFCDRN Cc1ncccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000728982803 574143405 /nfs/dbraw/zinc/14/34/05/574143405.db2.gz PCRIRNPJBZGTOT-XFFZJAGNSA-N 0 0 276.386 2.754 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)COC2(C)CCC2)c1 ZINC000746294637 574143717 /nfs/dbraw/zinc/14/37/17/574143717.db2.gz WQXDXMCEMQQUHV-NSHDSACASA-N 0 0 293.363 2.537 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277754 574149640 /nfs/dbraw/zinc/14/96/40/574149640.db2.gz OKDZJWCFMPVWDQ-NEPJUHHUSA-N 0 0 259.330 2.740 20 10 CFCDRN Cc1ccc(OCCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000732283954 574149985 /nfs/dbraw/zinc/14/99/85/574149985.db2.gz YHJWEYZJORQEPN-UHFFFAOYSA-N 0 0 291.372 2.961 20 10 CFCDRN O=C(NCc1cccc2cccnc21)C1=CC(=O)CS1 ZINC000732279144 574150224 /nfs/dbraw/zinc/15/02/24/574150224.db2.gz YXSUVYPPMHSNBM-UHFFFAOYSA-N 0 0 284.340 2.932 20 10 CFCDRN Cc1ccccc1OCCCNC(=O)C1=CC(=O)CS1 ZINC000732287391 574150636 /nfs/dbraw/zinc/15/06/36/574150636.db2.gz BJXMBYBSEZXAHE-UHFFFAOYSA-N 0 0 291.372 2.961 20 10 CFCDRN Cn1cc(CC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000746480369 574150814 /nfs/dbraw/zinc/15/08/14/574150814.db2.gz ZKIZJSZHLMWCTP-UHFFFAOYSA-N 0 0 279.343 2.942 20 10 CFCDRN CCCO[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732290668 574150808 /nfs/dbraw/zinc/15/08/08/574150808.db2.gz WGPJKWJRNQWCTO-GFCCVEGCSA-N 0 0 283.393 2.875 20 10 CFCDRN O=C(OCCOc1cccc(F)c1)C1=CC(=O)CS1 ZINC000732353043 574152788 /nfs/dbraw/zinc/15/27/88/574152788.db2.gz KRBRTSZKLYTEFO-UHFFFAOYSA-N 0 0 282.292 2.829 20 10 CFCDRN C/C=C\C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000737844774 574153150 /nfs/dbraw/zinc/15/31/50/574153150.db2.gz SFWYRRVUKFFMLD-DAXSKMNVSA-N 0 0 264.344 2.864 20 10 CFCDRN O=C(OCCOc1ccccc1F)C1=CC(=O)CS1 ZINC000732354537 574153327 /nfs/dbraw/zinc/15/33/27/574153327.db2.gz URWBFWXDIIAKOF-UHFFFAOYSA-N 0 0 282.292 2.829 20 10 CFCDRN COC(=O)[C@H](OC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732354875 574153397 /nfs/dbraw/zinc/15/33/97/574153397.db2.gz VFMKYBSHYMDLQX-GFCCVEGCSA-N 0 0 292.312 2.525 20 10 CFCDRN O=C(NCCc1ccc(F)cc1F)C1=CC(=O)CS1 ZINC000732678103 574165158 /nfs/dbraw/zinc/16/51/58/574165158.db2.gz QMPUPKARPHJRRB-UHFFFAOYSA-N 0 0 283.299 2.704 20 10 CFCDRN CC/C=C(\C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746798449 574166371 /nfs/dbraw/zinc/16/63/71/574166371.db2.gz HDGFTFSVHQHULI-IZZDOVSWSA-N 0 0 264.344 2.864 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C3CCC2CC3)cc1F ZINC000746978521 574174162 /nfs/dbraw/zinc/17/41/62/574174162.db2.gz USORUADXRBINIF-UHFFFAOYSA-N 0 0 291.370 2.728 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccccc1O)C(=O)c1ccccc1 ZINC000732828630 574174540 /nfs/dbraw/zinc/17/45/40/574174540.db2.gz YARWBQQQGIHGHF-ZDUSSCGKSA-N 0 0 297.354 2.918 20 10 CFCDRN CC[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000729280188 574195851 /nfs/dbraw/zinc/19/58/51/574195851.db2.gz PAIUCNGALFSTAR-ZJUUUORDSA-N 0 0 251.326 2.624 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCCC2 ZINC000747512286 574199158 /nfs/dbraw/zinc/19/91/58/574199158.db2.gz MIYFTIMZTLWTMP-ZDUSSCGKSA-N 0 0 259.349 2.931 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000747514832 574199398 /nfs/dbraw/zinc/19/93/98/574199398.db2.gz XANKOUSKDDHJTL-UHFFFAOYSA-N 0 0 297.314 2.648 20 10 CFCDRN CCC[N@H+](Cc1ccccc1O)CC1(O)CCCC1 ZINC000747619801 574203477 /nfs/dbraw/zinc/20/34/77/574203477.db2.gz STNZFIDHADQXGQ-UHFFFAOYSA-N 0 0 263.381 2.909 20 10 CFCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000729422480 574214623 /nfs/dbraw/zinc/21/46/23/574214623.db2.gz CNBHNPGNVRYOCV-KTRBRXNASA-N 0 0 279.343 2.715 20 10 CFCDRN CCc1ocnc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000739576601 574219641 /nfs/dbraw/zinc/21/96/41/574219641.db2.gz OIFOFROPOIPXRF-UHFFFAOYSA-N 0 0 287.363 2.541 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1=Cc2ccccc2OC1 ZINC000748028104 574225328 /nfs/dbraw/zinc/22/53/28/574225328.db2.gz ZUMPWMKFOPVPTL-UHFFFAOYSA-N 0 0 295.338 2.827 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356756 574228699 /nfs/dbraw/zinc/22/86/99/574228699.db2.gz HONOQDPHXWBNAW-ZYHUDNBSSA-N 0 0 284.350 2.805 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356653 574228910 /nfs/dbraw/zinc/22/89/10/574228910.db2.gz HONOQDPHXWBNAW-CMPLNLGQSA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@@H]([NH2+]CCCn1cccn1)c1cc(F)cc(F)c1[O-] ZINC000756397225 574233695 /nfs/dbraw/zinc/23/36/95/574233695.db2.gz PPYVQIFRTPNLLH-SNVBAGLBSA-N 0 0 281.306 2.608 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756450256 574237931 /nfs/dbraw/zinc/23/79/31/574237931.db2.gz RYZPFOGMBPYYMT-GXSJLCMTSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756494805 574241349 /nfs/dbraw/zinc/24/13/49/574241349.db2.gz NZEFEPCLVXTLQK-NXEZZACHSA-N 0 0 293.317 2.742 20 10 CFCDRN Cc1cnn(CCCCCOC(=O)C2=CC(=O)CS2)c1 ZINC000733496391 574242352 /nfs/dbraw/zinc/24/23/52/574242352.db2.gz HWIARJHUECBOGX-UHFFFAOYSA-N 0 0 294.376 2.986 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756527255 574243839 /nfs/dbraw/zinc/24/38/39/574243839.db2.gz XOGCZLNYXCAIOP-JTQLQIEISA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(F)cc1[O-] ZINC000756558329 574247466 /nfs/dbraw/zinc/24/74/66/574247466.db2.gz ZKVRLLLZSSEHAA-GFCCVEGCSA-N 0 0 294.370 2.585 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2cc(F)ccc2[nH]1 ZINC000748346644 574247792 /nfs/dbraw/zinc/24/77/92/574247792.db2.gz QSUHDTSUKIPXOA-UHFFFAOYSA-N 0 0 284.290 2.943 20 10 CFCDRN COc1ccccc1CCC(=O)NCc1ccccc1O ZINC000748353743 574248929 /nfs/dbraw/zinc/24/89/29/574248929.db2.gz DCTMBLTUAHJIFE-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756577646 574250087 /nfs/dbraw/zinc/25/00/87/574250087.db2.gz ZNVGOHMBGMRKIH-XPTSAGLGSA-N 0 0 271.307 2.748 20 10 CFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)s1 ZINC000748460245 574253723 /nfs/dbraw/zinc/25/37/23/574253723.db2.gz MHMUHDBIASSGAZ-UHFFFAOYSA-N 0 0 276.361 2.762 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648899 574255389 /nfs/dbraw/zinc/25/53/89/574255389.db2.gz ALWYIRCMMKXLJV-KOLCDFICSA-N 0 0 282.365 2.847 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccncc1)c1cc(F)cc(F)c1[O-] ZINC000756657291 574255697 /nfs/dbraw/zinc/25/56/97/574255697.db2.gz DBFPKBWTQFDZPV-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756710247 574257425 /nfs/dbraw/zinc/25/74/25/574257425.db2.gz AKXHYYUGRDFELW-VHSXEESVSA-N 0 0 264.325 2.997 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000756712375 574258080 /nfs/dbraw/zinc/25/80/80/574258080.db2.gz OTSCAUOGXCOWMD-ZYHUDNBSSA-N 0 0 277.364 2.876 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000733921957 574265402 /nfs/dbraw/zinc/26/54/02/574265402.db2.gz KAHRCTQEKCXABB-UHFFFAOYSA-N 0 0 290.407 2.764 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000756835112 574266750 /nfs/dbraw/zinc/26/67/50/574266750.db2.gz MSZZLCUGEIAJNE-LDWIPMOCSA-N 0 0 299.239 2.898 20 10 CFCDRN COc1cc(C)nc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000740870289 574271715 /nfs/dbraw/zinc/27/17/15/574271715.db2.gz CQHFHRSVSOWUAB-UHFFFAOYSA-N 0 0 296.374 2.782 20 10 CFCDRN CCc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000740928414 574274595 /nfs/dbraw/zinc/27/45/95/574274595.db2.gz LFRQDIHMEAWOCH-UHFFFAOYSA-N 0 0 261.346 2.946 20 10 CFCDRN CCOC(=O)/C(=C/c1ccc(Cl)nc1)c1nccn1C ZINC000748997903 574276064 /nfs/dbraw/zinc/27/60/64/574276064.db2.gz LEXIPYNXZQWCNJ-DHZHZOJOSA-N 0 0 291.738 2.572 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)C1CC1 ZINC000734161302 574278060 /nfs/dbraw/zinc/27/80/60/574278060.db2.gz QHTUWLKXNOPKQG-LLVKDONJSA-N 0 0 276.163 2.560 20 10 CFCDRN CN(C)c1ccc(CN(Cc2ccon2)C2CC2)cc1 ZINC000741053603 574280709 /nfs/dbraw/zinc/28/07/09/574280709.db2.gz UVOOGGMEONXZLT-UHFFFAOYSA-N 0 0 271.364 2.905 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]c2ncccc12 ZINC000741283495 574285650 /nfs/dbraw/zinc/28/56/50/574285650.db2.gz WPJUNQILSPIZTG-UHFFFAOYSA-N 0 0 281.315 2.541 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2c1CCC2 ZINC000734483358 574288221 /nfs/dbraw/zinc/28/82/21/574288221.db2.gz YYTZWQYSRHTDME-UHFFFAOYSA-N 0 0 282.391 2.952 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000734558124 574292812 /nfs/dbraw/zinc/29/28/12/574292812.db2.gz PBOFALXKZWOMQK-UHFFFAOYSA-N 0 0 290.388 2.758 20 10 CFCDRN COc1ccc(N2CCCN(c3ccnc(C)n3)CC2)cc1 ZINC000742395284 574327711 /nfs/dbraw/zinc/32/77/11/574327711.db2.gz NPSSQMRFKVMRMH-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN O=C(CCn1cccc1)NCc1c(O)ccc2c1CCCC2 ZINC000751069984 574369046 /nfs/dbraw/zinc/36/90/46/574369046.db2.gz URYBPFBRKQLEPS-UHFFFAOYSA-N 0 0 298.386 2.779 20 10 CFCDRN CCO[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000743630450 574369820 /nfs/dbraw/zinc/36/98/20/574369820.db2.gz TWHXBYNUGJZGQM-NEPJUHHUSA-N 0 0 281.377 2.531 20 10 CFCDRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000743642311 574370078 /nfs/dbraw/zinc/37/00/78/574370078.db2.gz RHAAQLZXWFGQJY-FUHWJXTLSA-N 0 0 296.370 2.922 20 10 CFCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1F ZINC000743720889 574371356 /nfs/dbraw/zinc/37/13/56/574371356.db2.gz DTBHHDYYWRMMOZ-VIFPVBQESA-N 0 0 295.335 2.790 20 10 CFCDRN 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CN(C)c1ccc(CNc2ncnc3ccncc32)cc1F ZINC000752636910 574393412 /nfs/dbraw/zinc/39/34/12/574393412.db2.gz VYLNNZIFTQMKDX-UHFFFAOYSA-N 0 0 297.337 2.842 20 10 CFCDRN CCOCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000752763651 574394844 /nfs/dbraw/zinc/39/48/44/574394844.db2.gz YFGFEMOOYXFBAH-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN CS[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C(C)(C)C ZINC000752893511 574396184 /nfs/dbraw/zinc/39/61/84/574396184.db2.gz WPCWFWVARSXRLN-NSHDSACASA-N 0 0 297.420 2.914 20 10 CFCDRN CC1CC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000753018024 574397527 /nfs/dbraw/zinc/39/75/27/574397527.db2.gz BRASKRZPTJBCNP-UHFFFAOYSA-N 0 0 275.396 2.693 20 10 CFCDRN CC(C)C1(CNC(=O)NCc2ccccc2O)CC1 ZINC000753342013 574401499 /nfs/dbraw/zinc/40/14/99/574401499.db2.gz GGGVRWJUBRNLFF-UHFFFAOYSA-N 0 0 262.353 2.628 20 10 CFCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1O ZINC000204866947 597732786 /nfs/dbraw/zinc/73/27/86/597732786.db2.gz YEPSLJIJZZOSLE-WFASDCNBSA-N 0 0 285.343 2.739 20 10 CFCDRN 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CC(C)[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296033 618567367 /nfs/dbraw/zinc/56/73/67/618567367.db2.gz MUEZPMHBIXDBHF-ZIAGYGMSSA-N 0 0 277.368 2.594 20 10 CFCDRN CC(C)[C@@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178197170 618642337 /nfs/dbraw/zinc/64/23/37/618642337.db2.gz RYQNHUZLVGJINZ-CQSZACIVSA-N 0 0 290.407 2.826 20 10 CFCDRN CSCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000077643777 618647721 /nfs/dbraw/zinc/64/77/21/618647721.db2.gz RMPQBQUYZYDJNH-LLVKDONJSA-N 0 0 282.409 2.675 20 10 CFCDRN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)C1=CC(=O)CS1 ZINC000926768018 618653773 /nfs/dbraw/zinc/65/37/73/618653773.db2.gz GLQKPJQNUPQZJZ-IACUBPJLSA-N 0 0 271.341 2.522 20 10 CFCDRN COc1ccc(CNc2ccc(C)cn2)c(O)c1OC ZINC000892636987 618665797 /nfs/dbraw/zinc/66/57/97/618665797.db2.gz KGCAZCALRRICRQ-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN CC(C)(C)OCC[NH2+]Cc1c(O)cccc1Cl ZINC000308743309 618802115 /nfs/dbraw/zinc/80/21/15/618802115.db2.gz PYUXMMLIMZCYMZ-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180599809 618865228 /nfs/dbraw/zinc/86/52/28/618865228.db2.gz IEPGISDBICDFJI-VQHVLOKHSA-N 0 0 283.327 2.736 20 10 CFCDRN COc1ccccc1OC(=O)c1ccc(C)c(O)c1O ZINC000181806092 618884461 /nfs/dbraw/zinc/88/44/61/618884461.db2.gz YYYNUVASVDEQJN-UHFFFAOYSA-N 0 0 274.272 2.634 20 10 CFCDRN CCCOc1ccnc(NCc2ccccc2O)n1 ZINC000228428729 618907897 /nfs/dbraw/zinc/90/78/97/618907897.db2.gz RDFKZIZICJGZOX-UHFFFAOYSA-N 0 0 259.309 2.583 20 10 CFCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)s1 ZINC000193879388 618958546 /nfs/dbraw/zinc/95/85/46/618958546.db2.gz SGCANRUNZSFPKU-UHFFFAOYSA-N 0 0 283.374 2.871 20 10 CFCDRN Cc1ocnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000194233297 618960498 /nfs/dbraw/zinc/96/04/98/618960498.db2.gz UTCGEWCEWFOFDV-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C)S1 ZINC000070387977 625309031 /nfs/dbraw/zinc/30/90/31/625309031.db2.gz KICSUACTCLXNNE-NXEZZACHSA-N 0 0 265.382 2.627 20 10 CFCDRN CN(Cc1cnn(C2CCC2)c1)c1ccc2c(c1)OCO2 ZINC000893463754 619006188 /nfs/dbraw/zinc/00/61/88/619006188.db2.gz ZQHJRFHHHUQKKX-UHFFFAOYSA-N 0 0 285.347 2.973 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000150787701 619065988 /nfs/dbraw/zinc/06/59/88/619065988.db2.gz LRNKSQQVUQFCPP-RYUDHWBXSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000893613293 619099627 /nfs/dbraw/zinc/09/96/27/619099627.db2.gz ILJRFSLITHQLBE-UHFFFAOYSA-N 0 0 288.347 2.753 20 10 CFCDRN Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958568 619149697 /nfs/dbraw/zinc/14/96/97/619149697.db2.gz QMUIQPOILWRDMA-HZPDHXFCSA-N 0 0 287.334 2.839 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC000319053198 619168252 /nfs/dbraw/zinc/16/82/52/619168252.db2.gz KCYAAHKJYOQALA-QGZVFWFLSA-N 0 0 294.398 2.733 20 10 CFCDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980299 619209670 /nfs/dbraw/zinc/20/96/70/619209670.db2.gz WVYKLYBWOXOCCT-JQWIXIFHSA-N 0 0 269.772 2.638 20 10 CFCDRN C[C@H](NC(=O)c1ccc(CO)cc1)c1ccc(N(C)C)cc1 ZINC000832430396 625332191 /nfs/dbraw/zinc/33/21/91/625332191.db2.gz CTAIMDSQQQMBPH-ZDUSSCGKSA-N 0 0 298.386 2.736 20 10 CFCDRN CO[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000832437040 625335934 /nfs/dbraw/zinc/33/59/34/625335934.db2.gz WOOOTFXRJAYACN-IVMMDQJWSA-N 0 0 290.407 2.745 20 10 CFCDRN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533591 619412101 /nfs/dbraw/zinc/41/21/01/619412101.db2.gz TYVTYSHPXVAWOG-ISTVAULSSA-N 0 0 285.334 2.652 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C)Cc2ncc[nH]2)cc1 ZINC000894586870 619424722 /nfs/dbraw/zinc/42/47/22/619424722.db2.gz KHGPGDPRRPCZQO-PLNGDYQASA-N 0 0 270.380 2.621 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000894689497 619444149 /nfs/dbraw/zinc/44/41/49/619444149.db2.gz GADCIJQYBKCLDQ-ZDUSSCGKSA-N 0 0 285.334 2.797 20 10 CFCDRN COc1cc(C)cc(CN[C@H]2CCCC2(F)F)c1O ZINC000894783842 619466576 /nfs/dbraw/zinc/46/65/76/619466576.db2.gz BOMUMGSJUNNNSH-LBPRGKRZSA-N 0 0 271.307 2.987 20 10 CFCDRN Cc1nonc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000925079867 619473387 /nfs/dbraw/zinc/47/33/87/619473387.db2.gz IRLVAMOADBTBQV-NSHDSACASA-N 0 0 274.368 2.603 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000894867914 619491233 /nfs/dbraw/zinc/49/12/33/619491233.db2.gz FRKZSCYWKHSMJU-NSHDSACASA-N 0 0 296.361 2.587 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)c1ccccc1 ZINC000894884265 619497716 /nfs/dbraw/zinc/49/77/16/619497716.db2.gz VYUNCBBWKXCPTI-OAHLLOKOSA-N 0 0 293.313 2.836 20 10 CFCDRN CCc1cccc(C[NH+]2CC(C(F)(F)F)C2)c1O ZINC000894890952 619500118 /nfs/dbraw/zinc/50/01/18/619500118.db2.gz PHGBEFLQYUFICL-UHFFFAOYSA-N 0 0 259.271 2.949 20 10 CFCDRN O=C(NCC1(CC2CC2)CC1)C1=CC(=O)CS1 ZINC000881518047 619521117 /nfs/dbraw/zinc/52/11/17/619521117.db2.gz QXKVCTFVAVNFNN-UHFFFAOYSA-N 0 0 251.351 2.764 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000895037848 619530614 /nfs/dbraw/zinc/53/06/14/619530614.db2.gz UMPKNUQQYMOPSY-LLVKDONJSA-N 0 0 285.334 2.655 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000895037849 619530821 /nfs/dbraw/zinc/53/08/21/619530821.db2.gz UMPKNUQQYMOPSY-NSHDSACASA-N 0 0 285.334 2.655 20 10 CFCDRN COC1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299828 619545377 /nfs/dbraw/zinc/54/53/77/619545377.db2.gz KQQHOGUHINHCPA-UHFFFAOYSA-N 0 0 277.368 2.596 20 10 CFCDRN CC(C)Cn1ccc(C(=O)N(C)Cc2ccccc2O)n1 ZINC000895756679 619600617 /nfs/dbraw/zinc/60/06/17/619600617.db2.gz ZIBIJYKPMCBYGU-UHFFFAOYSA-N 0 0 287.363 2.517 20 10 CFCDRN COC(C)(C)c1nsc(NCc2c(O)cccc2F)n1 ZINC000895833410 619619743 /nfs/dbraw/zinc/61/97/43/619619743.db2.gz WQUODXJXXRWFTG-UHFFFAOYSA-N 0 0 297.355 2.876 20 10 CFCDRN CO[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000895968822 619646190 /nfs/dbraw/zinc/64/61/90/619646190.db2.gz GWZCDVBIHUIZDG-GOSISDBHSA-N 0 0 299.370 2.864 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000896578410 619765867 /nfs/dbraw/zinc/76/58/67/619765867.db2.gz URORBFINXAGGOF-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN CCCC[C@H](COC)[NH2+]Cc1c([O-])cccc1F ZINC000896637347 619780226 /nfs/dbraw/zinc/78/02/26/619780226.db2.gz MNEFYIDQFMYVMD-LLVKDONJSA-N 0 0 255.333 2.826 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000896637635 619780236 /nfs/dbraw/zinc/78/02/36/619780236.db2.gz KVNWZBYAOVPWNQ-PRHODGIISA-N 0 0 293.260 2.731 20 10 CFCDRN CC[C@H](C)[C@H](C[NH2+]Cc1c([O-])cccc1F)OC ZINC000896638091 619780680 /nfs/dbraw/zinc/78/06/80/619780680.db2.gz OLPSKWYTQWNGQP-HZMBPMFUSA-N 0 0 255.333 2.682 20 10 CFCDRN CN(C)c1ccccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896641018 619781522 /nfs/dbraw/zinc/78/15/22/619781522.db2.gz NVLHHWVWRUEQDP-UHFFFAOYSA-N 0 0 274.339 2.887 20 10 CFCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000896641193 619781740 /nfs/dbraw/zinc/78/17/40/619781740.db2.gz LZQXFFXVNMWNLW-HZMBPMFUSA-N 0 0 253.317 2.579 20 10 CFCDRN C[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896758835 619803540 /nfs/dbraw/zinc/80/35/40/619803540.db2.gz UTURDPQFWMHAFC-QMMMGPOBSA-N 0 0 277.345 2.937 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000889609186 619986154 /nfs/dbraw/zinc/98/61/54/619986154.db2.gz BFHNOXYPDPSPEO-RAIGVLPGSA-N 0 0 286.335 2.767 20 10 CFCDRN CCOCCC1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC000928706250 619995963 /nfs/dbraw/zinc/99/59/63/619995963.db2.gz TURWNEYHVSYJLO-UHFFFAOYSA-N 0 0 295.354 2.744 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928709211 619996325 /nfs/dbraw/zinc/99/63/25/619996325.db2.gz YUHDYDPWTYNRKG-NXEZZACHSA-N 0 0 251.301 2.584 20 10 CFCDRN CS[C@@H](C)CCC(=O)NCc1c(O)cccc1F ZINC000928708522 619996339 /nfs/dbraw/zinc/99/63/39/619996339.db2.gz NLGUVCYFBFOFPK-VIFPVBQESA-N 0 0 271.357 2.679 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C)/C=C\Cl)c(O)c1O ZINC000928931348 620072042 /nfs/dbraw/zinc/07/20/42/620072042.db2.gz SSSANYNDSOTWQS-SREVYHEPSA-N 0 0 269.728 2.667 20 10 CFCDRN CCCC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996849 620109788 /nfs/dbraw/zinc/10/97/88/620109788.db2.gz GYECDXNZARQQCB-WLMCBFPDSA-N 0 0 290.407 2.999 20 10 CFCDRN CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840997799 620116430 /nfs/dbraw/zinc/11/64/30/620116430.db2.gz HNPJQJFKGYOYAS-WAYWQWQTSA-N 0 0 276.380 2.562 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCOC2)cc1 ZINC000179178908 620213317 /nfs/dbraw/zinc/21/33/17/620213317.db2.gz KFZVYCGBMSNBLT-OAHLLOKOSA-N 0 0 284.359 2.613 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)CC3)c(O)c1O ZINC000182991724 625409943 /nfs/dbraw/zinc/40/99/43/625409943.db2.gz BCKYNYNIWPFMKM-UHFFFAOYSA-N 0 0 298.342 2.651 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000898215394 620346573 /nfs/dbraw/zinc/34/65/73/620346573.db2.gz MYJMQBXVVDDVHN-DKBQUWCFSA-N 0 0 293.794 2.949 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000898215183 620346596 /nfs/dbraw/zinc/34/65/96/620346596.db2.gz JNDHZQRSPZDMAQ-UHFFFAOYSA-N 0 0 292.770 2.652 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@@H](O)[C@H](F)C2)cc1F ZINC000898192449 620350947 /nfs/dbraw/zinc/35/09/47/620350947.db2.gz JNBIUSMLRSSOFU-GDBMZVCRSA-N 0 0 298.377 2.577 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC=CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000898223926 620358314 /nfs/dbraw/zinc/35/83/14/620358314.db2.gz JWQDDGVMKAWGKD-ZYHUDNBSSA-N 0 0 292.335 2.753 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1(C2CC2)CC1 ZINC000898276882 620363337 /nfs/dbraw/zinc/36/33/37/620363337.db2.gz GRALZGYARUSJGL-UHFFFAOYSA-N 0 0 265.740 2.852 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898378937 620376498 /nfs/dbraw/zinc/37/64/98/620376498.db2.gz CBHYUUSKHJJOBQ-GXFFZTMASA-N 0 0 285.746 2.699 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000927019202 620440070 /nfs/dbraw/zinc/44/00/70/620440070.db2.gz CXMSOCWTLCMSGT-GHMZBOCLSA-N 0 0 255.333 2.733 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000927020363 620440712 /nfs/dbraw/zinc/44/07/12/620440712.db2.gz XKMWJZYABISFDV-KOLCDFICSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1ccc(NCC[NH2+][C@H](C)c2c([O-])cccc2F)nc1 ZINC000927071656 620448806 /nfs/dbraw/zinc/44/88/06/620448806.db2.gz URYVBYLSUSMEAY-GFCCVEGCSA-N 0 0 289.354 2.997 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cccc(F)c1 ZINC000042117331 620508875 /nfs/dbraw/zinc/50/88/75/620508875.db2.gz NTLKNARGHMXFPO-UHFFFAOYSA-N 0 0 259.280 2.804 20 10 CFCDRN O=C(NOCC1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000898988503 620513171 /nfs/dbraw/zinc/51/31/71/620513171.db2.gz YIPQDUFVBFUFCC-UHFFFAOYSA-N 0 0 293.344 2.774 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000899182288 620528335 /nfs/dbraw/zinc/52/83/35/620528335.db2.gz WGMPKGYRGPLVST-OLZOCXBDSA-N 0 0 289.375 2.919 20 10 CFCDRN C[C@@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccccc1O ZINC000899181928 620528442 /nfs/dbraw/zinc/52/84/42/620528442.db2.gz OROHWBNPBHFPFU-GHMZBOCLSA-N 0 0 299.374 2.731 20 10 CFCDRN CCN1C(=O)/C(=C/c2cnc(F)cc2C)SC1=S ZINC000899333680 620545138 /nfs/dbraw/zinc/54/51/38/620545138.db2.gz RMMSVGFCPKCEHG-UITAMQMPSA-N 0 0 282.365 2.750 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)CCF)cc1 ZINC000900025359 620625432 /nfs/dbraw/zinc/62/54/32/620625432.db2.gz CXBNVFPZYVDAKB-UHFFFAOYSA-N 0 0 266.360 2.851 20 10 CFCDRN CCn1cncc1/C=C1/c2cc(C)ccc2N(C)C1=O ZINC000901510900 620841114 /nfs/dbraw/zinc/84/11/14/620841114.db2.gz MKRWXJAMPVZXNF-ZSOIEALJSA-N 0 0 267.332 2.728 20 10 CFCDRN Cc1ncc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000902205687 620997891 /nfs/dbraw/zinc/99/78/91/620997891.db2.gz BPLMKHYBBAANQE-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1cccnc1 ZINC000832659068 625464808 /nfs/dbraw/zinc/46/48/08/625464808.db2.gz JVFOYVQKTPRZAG-ZDUSSCGKSA-N 0 0 283.375 2.516 20 10 CFCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1cccnc1 ZINC000832659067 625465321 /nfs/dbraw/zinc/46/53/21/625465321.db2.gz JVFOYVQKTPRZAG-CYBMUJFWSA-N 0 0 283.375 2.516 20 10 CFCDRN Cn1nnc(NCc2c(O)cccc2Cl)c1C(F)F ZINC000902711148 621154006 /nfs/dbraw/zinc/15/40/06/621154006.db2.gz JGROXFVRLCCMNV-UHFFFAOYSA-N 0 0 288.685 2.724 20 10 CFCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000903066768 621239386 /nfs/dbraw/zinc/23/93/86/621239386.db2.gz XDTPZRUATWKFSX-YGRLFVJLSA-N 0 0 292.358 2.708 20 10 CFCDRN Cc1ccc(F)c2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000903239272 621294148 /nfs/dbraw/zinc/29/41/48/621294148.db2.gz JPVUGSWHKJJZEH-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903405180 621360677 /nfs/dbraw/zinc/36/06/77/621360677.db2.gz BILOLBCUPBUXFR-ZANVPECISA-N 0 0 269.772 2.857 20 10 CFCDRN Nc1ccc(Cc2noc(C[C@H]3CC[C@@H](C4CC4)O3)n2)cc1 ZINC000904503000 621602704 /nfs/dbraw/zinc/60/27/04/621602704.db2.gz CXLVBIPRHLQXFN-CABCVRRESA-N 0 0 299.374 2.743 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)cc1 ZINC000183462387 625501605 /nfs/dbraw/zinc/50/16/05/625501605.db2.gz NMOHJTJTVCOXDI-SNVBAGLBSA-N 0 0 289.306 2.598 20 10 CFCDRN COc1cnc(C=Cc2ccc(N(C)C)cc2C)[nH]c1=O ZINC000905077637 621689826 /nfs/dbraw/zinc/68/98/26/621689826.db2.gz ZMEBYPLDFDFIOB-VURMDHGXSA-N 0 0 285.347 2.736 20 10 CFCDRN Cc1nc(C)c(/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC000905069555 621697523 /nfs/dbraw/zinc/69/75/23/621697523.db2.gz GDMSZHFSKRICGL-XYOKQWHBSA-N 0 0 291.376 2.748 20 10 CFCDRN C/C(=C\c1ccc(N2CCC(O)CC2)cc1)c1cnccn1 ZINC000905074135 621698512 /nfs/dbraw/zinc/69/85/12/621698512.db2.gz NHWNOCKKPLKVOD-WYMLVPIESA-N 0 0 295.386 2.998 20 10 CFCDRN C/C(=C/c1ccc(N2CCC(O)CC2)cc1)c1cnccn1 ZINC000905074131 621698536 /nfs/dbraw/zinc/69/85/36/621698536.db2.gz NHWNOCKKPLKVOD-OWBHPGMISA-N 0 0 295.386 2.998 20 10 CFCDRN CC(C)(C)n1cnc(NCc2cc(F)cc(F)c2O)n1 ZINC000905412599 621762579 /nfs/dbraw/zinc/76/25/79/621762579.db2.gz ZLPQJDWSCNBTPC-UHFFFAOYSA-N 0 0 282.294 2.629 20 10 CFCDRN C[C@@H]1C[C@H]1c1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905417667 621763949 /nfs/dbraw/zinc/76/39/49/621763949.db2.gz CLEVBSZCQQHJDL-HZGVNTEJSA-N 0 0 281.262 2.789 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000905449865 621767396 /nfs/dbraw/zinc/76/73/96/621767396.db2.gz ZDBHYHPVFMZJIM-CJNGLKHVSA-N 0 0 290.407 2.526 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn(C2CC2)nn1 ZINC000906252552 621960268 /nfs/dbraw/zinc/96/02/68/621960268.db2.gz KJANVVKOCSPYQA-UHFFFAOYSA-N 0 0 284.363 2.574 20 10 CFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000906625969 622025348 /nfs/dbraw/zinc/02/53/48/622025348.db2.gz AYTZMBLFNCFKMK-OPQSFPLASA-N 0 0 258.365 2.567 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906990872 622073764 /nfs/dbraw/zinc/07/37/64/622073764.db2.gz HIVZEEKMSUXNIT-UHFFFAOYSA-N 0 0 290.407 2.615 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC=CCCC1 ZINC000907057100 622081420 /nfs/dbraw/zinc/08/14/20/622081420.db2.gz MZTYVIDCUZNKST-CQSZACIVSA-N 0 0 289.375 2.893 20 10 CFCDRN COC(=O)COc1ccc(N(C)CCC(C)C)cc1 ZINC000183797103 625541764 /nfs/dbraw/zinc/54/17/64/625541764.db2.gz PIOAKJCRSSUPLQ-UHFFFAOYSA-N 0 0 265.353 2.721 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CC2)CCC1 ZINC000907275008 622104948 /nfs/dbraw/zinc/10/49/48/622104948.db2.gz UVTDXFFEQNMEFZ-NSHDSACASA-N 0 0 289.375 2.725 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](O)CC ZINC000908044788 622190386 /nfs/dbraw/zinc/19/03/86/622190386.db2.gz GKCKLJGWQFDGGF-DZGCQCFKSA-N 0 0 293.407 2.928 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@H](C(F)F)C1 ZINC000802652951 622201046 /nfs/dbraw/zinc/20/10/46/622201046.db2.gz HWVVHRICDDKKNL-NSHDSACASA-N 0 0 277.698 2.512 20 10 CFCDRN CCc1ccccc1[C@@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841087185 622287139 /nfs/dbraw/zinc/28/71/39/622287139.db2.gz PFGZZSOWBPELFJ-INIZCTEOSA-N 0 0 288.366 2.883 20 10 CFCDRN O=C(C[C@@H]1CCc2ccccc21)NCc1ccc(O)cc1O ZINC000910951051 622489258 /nfs/dbraw/zinc/48/92/58/622489258.db2.gz OHSIAUXAGGZTGG-ZDUSSCGKSA-N 0 0 297.354 2.834 20 10 CFCDRN CCc1sc(C(=O)NCc2ccc(O)cc2O)cc1C ZINC000910958418 622489887 /nfs/dbraw/zinc/48/98/87/622489887.db2.gz STEORHNTLTWRRA-UHFFFAOYSA-N 0 0 291.372 2.960 20 10 CFCDRN CC(C)CCCC(=O)NCc1ccc(O)cc1O ZINC000910943671 622491286 /nfs/dbraw/zinc/49/12/86/622491286.db2.gz FCWCFFWTHSNWEB-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)C[C@@H]1C ZINC000910944933 622491975 /nfs/dbraw/zinc/49/19/75/622491975.db2.gz PYRZSEZDRIKZSY-GRYCIOLGSA-N 0 0 277.364 2.786 20 10 CFCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000910947466 622492316 /nfs/dbraw/zinc/49/23/16/622492316.db2.gz FKXMQSONTUYMTM-QWRGUYRKSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1cccc(C)c1 ZINC000819683348 622543956 /nfs/dbraw/zinc/54/39/56/622543956.db2.gz XODNPVNUQYQOBY-IAGOWNOFSA-N 0 0 298.386 2.656 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1coc(C)c1 ZINC000819755045 622549931 /nfs/dbraw/zinc/54/99/31/622549931.db2.gz CNSOLTJTMUTQJQ-UHFFFAOYSA-N 0 0 280.320 2.709 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3cncc(C)n3)C2)cc1 ZINC000819934653 622576812 /nfs/dbraw/zinc/57/68/12/622576812.db2.gz GQEBWGYZUDXFRC-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820198035 622626149 /nfs/dbraw/zinc/62/61/49/622626149.db2.gz VVHJJVBCGBKOCZ-NXEZZACHSA-N 0 0 274.324 2.720 20 10 CFCDRN CC[C@H](CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841820095 622688294 /nfs/dbraw/zinc/68/82/94/622688294.db2.gz MJQAPQXIRMPPNQ-CYBMUJFWSA-N 0 0 265.353 2.594 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1sccc1Cl ZINC000209844937 622747978 /nfs/dbraw/zinc/74/79/78/622747978.db2.gz BTNAROMEWJTVMR-ZZXKWVIFSA-N 0 0 261.780 2.890 20 10 CFCDRN CN(C)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000150914529 622769358 /nfs/dbraw/zinc/76/93/58/622769358.db2.gz HJQIZJUSWPGZBT-UHFFFAOYSA-N 0 0 288.370 2.965 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC(F)(F)C2)cc1 ZINC000820986258 622813016 /nfs/dbraw/zinc/81/30/16/622813016.db2.gz UAVGVQWCNQMJKO-JTQLQIEISA-N 0 0 296.277 2.767 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCC=CCC1 ZINC000821059952 622835300 /nfs/dbraw/zinc/83/53/00/622835300.db2.gz BEQIZMHJFDSQJZ-UHFFFAOYSA-N 0 0 275.348 2.503 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3=CCCC3)ccc21 ZINC000151336724 622894596 /nfs/dbraw/zinc/89/45/96/622894596.db2.gz PEBMDROGUBMYJN-UHFFFAOYSA-N 0 0 270.376 2.796 20 10 CFCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC000821452992 622926970 /nfs/dbraw/zinc/92/69/70/622926970.db2.gz JSLNTBOYUPYRQF-QWRGUYRKSA-N 0 0 288.351 2.967 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)cn1 ZINC000164072227 622934809 /nfs/dbraw/zinc/93/48/09/622934809.db2.gz XSJWMBOLEABWRR-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN CCOC(=O)CN(Cc1cc(C)cc(C)c1O)C1CC1 ZINC000164243750 622943762 /nfs/dbraw/zinc/94/37/62/622943762.db2.gz PPIRWPFAJULHFL-UHFFFAOYSA-N 0 0 277.364 2.537 20 10 CFCDRN CCC(F)(F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821841453 622990536 /nfs/dbraw/zinc/99/05/36/622990536.db2.gz BQUFPGYKWYQQDJ-UHFFFAOYSA-N 0 0 282.334 2.948 20 10 CFCDRN C[C@H](CO)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224939751 623020035 /nfs/dbraw/zinc/02/00/35/623020035.db2.gz TZGFMVLBBPPLTK-JTQLQIEISA-N 0 0 257.761 2.544 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC(C)(C)C)c1 ZINC000157247500 623021258 /nfs/dbraw/zinc/02/12/58/623021258.db2.gz ARWMFNCJCHGEJC-SECBINFHSA-N 0 0 266.341 2.560 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000166844022 623034467 /nfs/dbraw/zinc/03/44/67/623034467.db2.gz QKIVEIKKPMXAQF-VWYCJHECSA-N 0 0 263.337 2.604 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000157748713 623056790 /nfs/dbraw/zinc/05/67/90/623056790.db2.gz AQBWSYMNYJANGV-NTZNESFSSA-N 0 0 266.360 2.665 20 10 CFCDRN CCOC(=O)CN(Cc1ccoc1)Cc1ccccc1O ZINC000822511448 623118121 /nfs/dbraw/zinc/11/81/21/623118121.db2.gz GCBYKAFYQIWMTD-UHFFFAOYSA-N 0 0 289.331 2.551 20 10 CFCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000822520824 623121013 /nfs/dbraw/zinc/12/10/13/623121013.db2.gz PRPODTLCAOYCGQ-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1oc(C)c(C(=O)NCCc2ccc(N)cc2)c1C ZINC000087197652 623127500 /nfs/dbraw/zinc/12/75/00/623127500.db2.gz LSSNLUJSAHRAHT-UHFFFAOYSA-N 0 0 272.348 2.760 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)COc2ccccc2)cc1 ZINC000060678550 623146445 /nfs/dbraw/zinc/14/64/45/623146445.db2.gz YYOHEMQQFAJJPU-UHFFFAOYSA-N 0 0 298.386 2.790 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000228553212 623149154 /nfs/dbraw/zinc/14/91/54/623149154.db2.gz PBEPIBMFNKIQLO-NXEZZACHSA-N 0 0 255.358 2.935 20 10 CFCDRN CCSCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822703361 623155951 /nfs/dbraw/zinc/15/59/51/623155951.db2.gz MSQAKTMAJOXOQB-UHFFFAOYSA-N 0 0 294.380 2.722 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000229426468 623203934 /nfs/dbraw/zinc/20/39/34/623203934.db2.gz QKIVEIKKPMXAQF-GMTAPVOTSA-N 0 0 263.337 2.604 20 10 CFCDRN O=C(C[C@@H]1CCCC1(F)F)NCc1ccc(O)cc1O ZINC000822971296 623212300 /nfs/dbraw/zinc/21/23/00/623212300.db2.gz CCXOAMYARBCYNH-JTQLQIEISA-N 0 0 285.290 2.540 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C2CC2)c1 ZINC000171729404 623240288 /nfs/dbraw/zinc/24/02/88/623240288.db2.gz OEONJOYMVUINFW-UWVGGRQHSA-N 0 0 278.352 2.560 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2cccs2)c1 ZINC000172042510 623255239 /nfs/dbraw/zinc/25/52/39/623255239.db2.gz RTSNOSXIRAPKSC-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000087784867 623265508 /nfs/dbraw/zinc/26/55/08/623265508.db2.gz VTTXKKSNMPIZMH-VIFPVBQESA-N 0 0 262.136 2.578 20 10 CFCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)F ZINC000823227280 623269856 /nfs/dbraw/zinc/26/98/56/623269856.db2.gz BDPBBFPIAWBMDF-SECBINFHSA-N 0 0 284.266 2.623 20 10 CFCDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000230392130 623273350 /nfs/dbraw/zinc/27/33/50/623273350.db2.gz PVAJXMDRBGHGBM-RNCFNFMXSA-N 0 0 255.745 2.703 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CC=CCC1 ZINC000172484742 623283490 /nfs/dbraw/zinc/28/34/90/623283490.db2.gz IORSAHSDJVLSPR-CYBMUJFWSA-N 0 0 260.337 2.642 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230659991 623291941 /nfs/dbraw/zinc/29/19/41/623291941.db2.gz KIYIKBDIUCBTPC-CMPLNLGQSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000062745046 623293431 /nfs/dbraw/zinc/29/34/31/623293431.db2.gz AQYDCJRDHSSKQV-LBPRGKRZSA-N 0 0 266.360 2.668 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(F)cc1[O-] ZINC000062748046 623295985 /nfs/dbraw/zinc/29/59/85/623295985.db2.gz CVZYABZCQNKHQT-ZDUSSCGKSA-N 0 0 280.387 2.914 20 10 CFCDRN c1cc(CNCc2ccc(N3CCCCC3)cc2)on1 ZINC000231884894 623373395 /nfs/dbraw/zinc/37/33/95/623373395.db2.gz WDRLHSCFXSFRDP-UHFFFAOYSA-N 0 0 271.364 2.955 20 10 CFCDRN CCOc1ccc(N(C)Cc2c(C)nnn2CC)cc1 ZINC000824131652 623456970 /nfs/dbraw/zinc/45/69/70/623456970.db2.gz YVLHPSWVSJKHLC-UHFFFAOYSA-N 0 0 274.368 2.642 20 10 CFCDRN COc1cc(Br)cc(CN2CC3(CC3)C2)c1O ZINC000824533965 623519781 /nfs/dbraw/zinc/51/97/81/623519781.db2.gz VACYCPCQPVUHGY-UHFFFAOYSA-N 0 0 298.180 2.759 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2=CCCCC2)c1 ZINC000824538389 623519906 /nfs/dbraw/zinc/51/99/06/623519906.db2.gz PGYNORIFPVCAOC-UHFFFAOYSA-N 0 0 262.309 2.890 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824533993 623520204 /nfs/dbraw/zinc/52/02/04/623520204.db2.gz WEJAMHFGIGUBHT-NSHDSACASA-N 0 0 281.718 2.616 20 10 CFCDRN CCC(F)(F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000824668976 623543004 /nfs/dbraw/zinc/54/30/04/623543004.db2.gz AQQIDQMLKBUSQL-UHFFFAOYSA-N 0 0 274.286 2.553 20 10 CFCDRN Cc1ccoc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000824669618 623543071 /nfs/dbraw/zinc/54/30/71/623543071.db2.gz OKENEDNQZXZZBP-UHFFFAOYSA-N 0 0 290.338 2.652 20 10 CFCDRN CCc1nocc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000824676891 623544081 /nfs/dbraw/zinc/54/40/81/623544081.db2.gz VLQMTNRUEDHTIQ-UHFFFAOYSA-N 0 0 299.374 2.549 20 10 CFCDRN CC1(C)C[C@@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824693204 623546559 /nfs/dbraw/zinc/54/65/59/623546559.db2.gz MUZSKWWYNVRUFP-CQSZACIVSA-N 0 0 274.324 2.767 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C[C@H](C)O)C(C)C)cc1Cl ZINC000824725556 623552919 /nfs/dbraw/zinc/55/29/19/623552919.db2.gz DBUBMFMTWKWCFY-NSHDSACASA-N 0 0 271.788 2.945 20 10 CFCDRN Cc1cc(O)c(CNCc2nn(C)cc2Cl)cc1C ZINC000824758259 623558710 /nfs/dbraw/zinc/55/87/10/623558710.db2.gz QJXBYJKFAVICLA-UHFFFAOYSA-N 0 0 279.771 2.686 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000824815569 623571401 /nfs/dbraw/zinc/57/14/01/623571401.db2.gz TYTXBSHQDFHTAH-GXFFZTMASA-N 0 0 269.772 2.902 20 10 CFCDRN CCn1nc(C(=O)N[C@H](C)c2ccccc2O)cc1C1CC1 ZINC000913764029 623581122 /nfs/dbraw/zinc/58/11/22/623581122.db2.gz YSWVIKICDGIDTE-LLVKDONJSA-N 0 0 299.374 2.977 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824903813 623585051 /nfs/dbraw/zinc/58/50/51/623585051.db2.gz MYNSOEDUBMNTRD-ZYHUDNBSSA-N 0 0 273.735 2.842 20 10 CFCDRN CCC(F)(F)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824930869 623590630 /nfs/dbraw/zinc/59/06/30/623590630.db2.gz HMSZQXCVXFUKTK-UHFFFAOYSA-N 0 0 284.266 2.624 20 10 CFCDRN COc1ccc(CN[C@@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017372 623608169 /nfs/dbraw/zinc/60/81/69/623608169.db2.gz PUFQJJGQIVAEIQ-TZMCWYRMSA-N 0 0 271.364 2.996 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825046102 623616027 /nfs/dbraw/zinc/61/60/27/623616027.db2.gz QRDCBSIKGYBONO-SECBINFHSA-N 0 0 297.761 2.639 20 10 CFCDRN CCc1nc(CNCc2ccc(OC)c(C)c2)co1 ZINC000825050703 623616910 /nfs/dbraw/zinc/61/69/10/623616910.db2.gz QHMAITCMUACPBN-UHFFFAOYSA-N 0 0 260.337 2.844 20 10 CFCDRN CCc1ncc(CNCc2c(O)cccc2Cl)o1 ZINC000825078777 623623494 /nfs/dbraw/zinc/62/34/94/623623494.db2.gz DCUGDVLDPCHXPP-UHFFFAOYSA-N 0 0 266.728 2.886 20 10 CFCDRN CCCc1ncc(CNCc2ccc3c(c2)CCO3)o1 ZINC000825079479 623624658 /nfs/dbraw/zinc/62/46/58/623624658.db2.gz VMHKHDRQZDMNQN-UHFFFAOYSA-N 0 0 272.348 2.852 20 10 CFCDRN COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000825245118 623657305 /nfs/dbraw/zinc/65/73/05/623657305.db2.gz FNHAIMZNCHBPPG-UHFFFAOYSA-N 0 0 294.351 2.597 20 10 CFCDRN CCOc1ccc(O)c(CNc2cccc(CCO)c2)c1 ZINC000825284410 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C[C@H]1CN(Cc2ccccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827786935 624092637 /nfs/dbraw/zinc/09/26/37/624092637.db2.gz LUPLLISVVQZIGH-CMPLNLGQSA-N 0 0 289.297 2.934 20 10 CFCDRN C[C@@H]1CN(Cc2ccccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827786938 624092862 /nfs/dbraw/zinc/09/28/62/624092862.db2.gz LUPLLISVVQZIGH-ZYHUDNBSSA-N 0 0 289.297 2.934 20 10 CFCDRN Cc1nc(CN(C)C/C=C\c2ccc(N(C)C)cc2)no1 ZINC000827898697 624122777 /nfs/dbraw/zinc/12/27/77/624122777.db2.gz SSTLEKQSCSCELV-WAYWQWQTSA-N 0 0 286.379 2.589 20 10 CFCDRN CCCc1cc(C(=O)N[C@H](C)c2ccccc2O)[nH]n1 ZINC000827923286 624128807 /nfs/dbraw/zinc/12/88/07/624128807.db2.gz NYVBFRPIVKDJKH-SNVBAGLBSA-N 0 0 273.336 2.559 20 10 CFCDRN C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccccc1O ZINC000827930905 624129879 /nfs/dbraw/zinc/12/98/79/624129879.db2.gz ULXXSVUXIJVQNE-CYBMUJFWSA-N 0 0 296.370 2.632 20 10 CFCDRN C[C@@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccccc1O ZINC000827936921 624131318 /nfs/dbraw/zinc/13/13/18/624131318.db2.gz GPAVXWFOKFWPJK-UPJWGTAASA-N 0 0 277.364 2.917 20 10 CFCDRN CCc1nc(CC(=O)N[C@H](C)c2ccccc2O)cs1 ZINC000827931143 624131572 /nfs/dbraw/zinc/13/15/72/624131572.db2.gz ZYITYPPASYYVPA-SNVBAGLBSA-N 0 0 290.388 2.831 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccccc1O ZINC000827936861 624131779 /nfs/dbraw/zinc/13/17/79/624131779.db2.gz DQDRQXKEIXPXFS-HTQZYQBOSA-N 0 0 261.243 2.768 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCC(=O)c2cccn21)c1ccccc1O ZINC000827946535 624134857 /nfs/dbraw/zinc/13/48/57/624134857.db2.gz LCQOLIUEFZBYOY-BXUZGUMPSA-N 0 0 298.342 2.589 20 10 CFCDRN CSCC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827947054 624135659 /nfs/dbraw/zinc/13/56/59/624135659.db2.gz ZPZQPEYSRKSGAA-SNVBAGLBSA-N 0 0 267.394 2.959 20 10 CFCDRN C[C@@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1O ZINC000827946996 624136049 /nfs/dbraw/zinc/13/60/49/624136049.db2.gz XPKZBBHGWUXXII-QJPTWQEYSA-N 0 0 275.348 2.575 20 10 CFCDRN Cc1nc(C(=O)N[C@H](C)c2ccccc2O)sc1C ZINC000827946967 624136312 /nfs/dbraw/zinc/13/63/12/624136312.db2.gz WFWRVJUVFAAYRQ-SECBINFHSA-N 0 0 276.361 2.957 20 10 CFCDRN C[C@@H](NC(=O)CCCC(=O)C1CC1)c1ccccc1O ZINC000827952243 624136914 /nfs/dbraw/zinc/13/69/14/624136914.db2.gz KXUOYRSOTUUYHU-LLVKDONJSA-N 0 0 275.348 2.719 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000827956317 624137950 /nfs/dbraw/zinc/13/79/50/624137950.db2.gz JVNRUDSLPSTXGJ-KYSMWIMPSA-N 0 0 277.364 2.629 20 10 CFCDRN CO[C@H](C(=O)N[C@H](C)c1ccccc1O)C1CCCC1 ZINC000827956769 624138175 /nfs/dbraw/zinc/13/81/75/624138175.db2.gz OOOVHUWKAHSZAX-ABAIWWIYSA-N 0 0 277.364 2.775 20 10 CFCDRN CCC[C@H](OCC)C(=O)N[C@H](C)c1ccccc1O ZINC000827955645 624138265 /nfs/dbraw/zinc/13/82/65/624138265.db2.gz BSFMFGIFOBAVPM-RISCZKNCSA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@H](NC(=O)[C@]1(C)CCCCO1)c1ccccc1O ZINC000827960128 624139536 /nfs/dbraw/zinc/13/95/36/624139536.db2.gz JNUUJPMFEMAWRX-NHYWBVRUSA-N 0 0 263.337 2.529 20 10 CFCDRN CCNc1ncc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827960231 624139662 /nfs/dbraw/zinc/13/96/62/624139662.db2.gz 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ZINC000175258266 624942631 /nfs/dbraw/zinc/94/26/31/624942631.db2.gz UKDHGOQSFPCULW-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCCc1ccc(N)cc1 ZINC000237564748 624963348 /nfs/dbraw/zinc/96/33/48/624963348.db2.gz JYWVMDCCZRKUHV-XJKSGUPXSA-N 0 0 290.407 2.523 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C/c1cncc(O)c1)CC2 ZINC000179535851 624967185 /nfs/dbraw/zinc/96/71/85/624967185.db2.gz VHPYDSXWKXJDCB-AATRIKPKSA-N 0 0 280.327 2.698 20 10 CFCDRN Nc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 ZINC000238016321 624998363 /nfs/dbraw/zinc/99/83/63/624998363.db2.gz RIAMPWJQMDONTJ-UHFFFAOYSA-N 0 0 282.347 2.516 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000831422107 625016735 /nfs/dbraw/zinc/01/67/35/625016735.db2.gz UUIIRLXJMFMRBG-QXAKKESOSA-N 0 0 292.382 2.656 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCCCCC1 ZINC000180588916 625029228 /nfs/dbraw/zinc/02/92/28/625029228.db2.gz AIQURQJJJNGPJE-CSKARUKUSA-N 0 0 275.348 2.950 20 10 CFCDRN Cc1ccsc1CCNC(=O)Cc1ccc(N)cc1 ZINC000831506291 625038491 /nfs/dbraw/zinc/03/84/91/625038491.db2.gz QGPHVJQASISNRL-UHFFFAOYSA-N 0 0 274.389 2.540 20 10 CFCDRN CCCc1cnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000831522755 625041420 /nfs/dbraw/zinc/04/14/20/625041420.db2.gz WDHZZRHMRLWOJG-UHFFFAOYSA-N 0 0 275.377 2.859 20 10 CFCDRN COc1ccc(N(Cc2ccnc(OC)n2)CC2CC2)cc1 ZINC000831592285 625063630 /nfs/dbraw/zinc/06/36/30/625063630.db2.gz AIZLMOOEPGMGEJ-UHFFFAOYSA-N 0 0 299.374 2.910 20 10 CFCDRN COc1ccc(CNC(=O)[C@@]2(C)CCC[C@H]2C)c(O)c1 ZINC000831618230 625073363 /nfs/dbraw/zinc/07/33/63/625073363.db2.gz VBAIGIJJUMKAFV-BZNIZROVSA-N 0 0 277.364 2.843 20 10 CFCDRN CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2)c1 ZINC000069267179 625074824 /nfs/dbraw/zinc/07/48/24/625074824.db2.gz VIMXKMUPGHCUAT-HNNXBMFYSA-N 0 0 284.315 2.645 20 10 CFCDRN C[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCS1 ZINC000181190279 625075748 /nfs/dbraw/zinc/07/57/48/625075748.db2.gz QSKSFLVULLNSCT-CSPWOOARSA-N 0 0 293.388 2.513 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)COC2 ZINC000181303104 625099075 /nfs/dbraw/zinc/09/90/75/625099075.db2.gz MQKNXRUFKJFMQD-QHHAFSJGSA-N 0 0 297.310 2.780 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c(O)c1O ZINC000181854402 625224101 /nfs/dbraw/zinc/22/41/01/625224101.db2.gz IXWDGGGZBYKHEF-UHFFFAOYSA-N 0 0 285.299 2.593 20 10 CFCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)CC1(C)C ZINC000832151153 625232083 /nfs/dbraw/zinc/23/20/83/625232083.db2.gz ADXYGQWQRODJLK-GFCCVEGCSA-N 0 0 260.381 2.706 20 10 CFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1CC(C)C ZINC000832244819 625252239 /nfs/dbraw/zinc/25/22/39/625252239.db2.gz YDPPAIDHSOGHLT-UHFFFAOYSA-N 0 0 272.352 2.682 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182226507 625273956 /nfs/dbraw/zinc/27/39/56/625273956.db2.gz IZRQLLQCASMABV-WCBMZHEXSA-N 0 0 251.326 2.571 20 10 CFCDRN CCCC(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000182261710 625275661 /nfs/dbraw/zinc/27/56/61/625275661.db2.gz AIXHLCLWIWZQGO-UHFFFAOYSA-N 0 0 251.326 2.715 20 10 CFCDRN CCCN(CC)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185631585 625752053 /nfs/dbraw/zinc/75/20/53/625752053.db2.gz BSYMQZJIKDWFIL-GFCCVEGCSA-N 0 0 268.376 2.914 20 10 CFCDRN O=C(NC1(c2ccccc2F)CC1)c1cccc(O)c1O ZINC000185691726 625761343 /nfs/dbraw/zinc/76/13/43/625761343.db2.gz ZUYHNEPYANRJEI-UHFFFAOYSA-N 0 0 287.290 2.656 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCS1 ZINC000834662272 625765327 /nfs/dbraw/zinc/76/53/27/625765327.db2.gz ZYNZKDBCGOQVIO-VSEZHWFZSA-N 0 0 293.388 2.511 20 10 CFCDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc(O)c1O ZINC000185805968 625781111 /nfs/dbraw/zinc/78/11/11/625781111.db2.gz JIHPVVNUQCSQTQ-UHFFFAOYSA-N 0 0 297.310 2.869 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2C[C@H](O)C2)cc1 ZINC000834787616 625861800 /nfs/dbraw/zinc/86/18/00/625861800.db2.gz KCNALJGXVMQBOC-CZIWCDLHSA-N 0 0 298.386 2.595 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(F)cc1[O-] ZINC000834832595 625891775 /nfs/dbraw/zinc/89/17/75/625891775.db2.gz QQKNRYLRVYKCHJ-SMDDNHRTSA-N 0 0 269.360 2.981 20 10 CFCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000840762888 625900473 /nfs/dbraw/zinc/90/04/73/625900473.db2.gz FODMLWSCRLNLOU-WZRBSPASSA-N 0 0 294.351 2.907 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000834876140 625906786 /nfs/dbraw/zinc/90/67/86/625906786.db2.gz ZIYMTPPAQUZXJS-MDSUWVFBSA-N 0 0 295.276 2.726 20 10 CFCDRN Cc1ccncc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834888986 625910495 /nfs/dbraw/zinc/91/04/95/625910495.db2.gz SWHYFKDPQPZARO-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000834900375 625915864 /nfs/dbraw/zinc/91/58/64/625915864.db2.gz OIFLUSBCTXJPHB-UHIISALHSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]1Cc2cc(C(=O)NCCc3ccc(N)cc3)ccc2O1 ZINC000851632241 634464022 /nfs/dbraw/zinc/46/40/22/634464022.db2.gz OIFJQRANDYVPFF-GFCCVEGCSA-N 0 0 296.370 2.565 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCCc1ccc(N)cc1 ZINC000851631435 634464696 /nfs/dbraw/zinc/46/46/96/634464696.db2.gz BOISGRGTMMITSU-OAHLLOKOSA-N 0 0 266.360 2.846 20 10 CFCDRN COC(=O)CCCCC[NH2+]Cc1ccc(C)cc1O ZINC000083482109 625946008 /nfs/dbraw/zinc/94/60/08/625946008.db2.gz FEFKQIDXDSFEDR-UHFFFAOYSA-N 0 0 265.353 2.524 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)C1CCC(F)CC1 ZINC000851648020 634473030 /nfs/dbraw/zinc/47/30/30/634473030.db2.gz RQADPGNSAUENSY-XGNXJENSSA-N 0 0 278.371 2.844 20 10 CFCDRN Cc1cc(O)c(CNc2nc3ccccn3n2)cc1C ZINC000186428526 626070348 /nfs/dbraw/zinc/07/03/48/626070348.db2.gz SUWKGZSIHNGHDP-UHFFFAOYSA-N 0 0 268.320 2.664 20 10 CFCDRN Cc1cc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)ccc1N(C)C ZINC000851708821 634480672 /nfs/dbraw/zinc/48/06/72/634480672.db2.gz ZWYGCMBXOIDUNJ-ZDUSSCGKSA-N 0 0 290.407 2.889 20 10 CFCDRN COC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000186509269 626201772 /nfs/dbraw/zinc/20/17/72/626201772.db2.gz MRIYMPGHUUXOOF-SNVBAGLBSA-N 0 0 253.317 2.751 20 10 CFCDRN CCc1ncc(CNCc2ccc3c(c2)CCCO3)o1 ZINC000922161981 626226738 /nfs/dbraw/zinc/22/67/38/626226738.db2.gz IOMKJRKDYLHIOH-UHFFFAOYSA-N 0 0 272.348 2.852 20 10 CFCDRN CCC(C)(C)CNC(=O)NCc1c(O)cccc1F ZINC000922189481 626236295 /nfs/dbraw/zinc/23/62/95/626236295.db2.gz VRCYUDYHSAQNHN-UHFFFAOYSA-N 0 0 268.332 2.767 20 10 CFCDRN COc1cccc(O)c1CNCc1nc2c(s1)CCC2 ZINC000922471456 626293892 /nfs/dbraw/zinc/29/38/92/626293892.db2.gz UPGZSNBUIBDDQC-UHFFFAOYSA-N 0 0 290.388 2.636 20 10 CFCDRN CC[C@@H]1C[C@H]1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000922545787 626305000 /nfs/dbraw/zinc/30/50/00/626305000.db2.gz UGGRYYUGAZTTGY-XCOQAZTISA-N 0 0 262.305 2.700 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC1=CCCCC1 ZINC000922656977 626333798 /nfs/dbraw/zinc/33/37/98/626333798.db2.gz SYTDSHFFSQLGSI-UHFFFAOYSA-N 0 0 278.327 2.831 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccncc2Cl)cc1 ZINC000073848018 626397109 /nfs/dbraw/zinc/39/71/09/626397109.db2.gz WVBWHWYYQVGZKL-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN O=C(Nc1cccc(OC(F)F)c1)c1cccc(O)c1O ZINC000186948079 626406884 /nfs/dbraw/zinc/40/68/84/626406884.db2.gz SVSHOKIUPVULFL-UHFFFAOYSA-N 0 0 295.241 2.952 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000086695884 626409017 /nfs/dbraw/zinc/40/90/17/626409017.db2.gz LMHPVODINKDQQI-MFKMUULPSA-N 0 0 255.333 2.853 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000086775232 626415919 /nfs/dbraw/zinc/41/59/19/626415919.db2.gz TUYNICFYIIFJMC-HNNXBMFYSA-N 0 0 276.380 2.582 20 10 CFCDRN COc1ccc(CNCc2cc(C3CC3)n(C)n2)cc1C ZINC000922953896 626431945 /nfs/dbraw/zinc/43/19/45/626431945.db2.gz FXXWLESGAFKACH-UHFFFAOYSA-N 0 0 285.391 2.904 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000923387015 626470245 /nfs/dbraw/zinc/47/02/45/626470245.db2.gz ILDHFEIRLICIIM-UTUOFQBUSA-N 0 0 292.354 2.767 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000838036798 626483984 /nfs/dbraw/zinc/48/39/84/626483984.db2.gz KHKVDNDTQUAVCP-UYTOFJLZSA-N 0 0 275.348 2.662 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]1C1CC1 ZINC000838477236 626499044 /nfs/dbraw/zinc/49/90/44/626499044.db2.gz FNQKMUKSJUYYMX-MRXNPFEDSA-N 0 0 287.407 2.755 20 10 CFCDRN COC1(C)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000839101516 626524738 /nfs/dbraw/zinc/52/47/38/626524738.db2.gz MDYZHXRSAIHDAE-UHFFFAOYSA-N 0 0 255.745 2.575 20 10 CFCDRN CCn1ncc(CN2CCCCc3cc(OC)ccc32)n1 ZINC000839106020 626525292 /nfs/dbraw/zinc/52/52/92/626525292.db2.gz GCQITQSUNDBVDW-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN CCOC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839131880 626527820 /nfs/dbraw/zinc/52/78/20/626527820.db2.gz GCRWIXNGMHGNKZ-UHFFFAOYSA-N 0 0 274.408 2.898 20 10 CFCDRN COc1cc(Cl)cc(CN2CC(C(F)F)C2)c1O ZINC000839141761 626528520 /nfs/dbraw/zinc/52/85/20/626528520.db2.gz ZECJQVJZDWIYHA-UHFFFAOYSA-N 0 0 277.698 2.751 20 10 CFCDRN COc1cc(Cl)cc(CN2CC3(CC(F)C3)C2)c1O ZINC000839140726 626528538 /nfs/dbraw/zinc/52/85/38/626528538.db2.gz ULZIOPHNKFBMQO-UHFFFAOYSA-N 0 0 285.746 2.988 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839140617 626528610 /nfs/dbraw/zinc/52/86/10/626528610.db2.gz RTVYXNKDILPFRF-UHFFFAOYSA-N 0 0 255.720 2.980 20 10 CFCDRN Cc1ncc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000839169878 626529349 /nfs/dbraw/zinc/52/93/49/626529349.db2.gz KPRSKNOHHRQZPD-UHFFFAOYSA-N 0 0 270.691 2.771 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193763 626531032 /nfs/dbraw/zinc/53/10/32/626531032.db2.gz XSPZPYXSFGEHRY-IUCAKERBSA-N 0 0 273.760 2.874 20 10 CFCDRN CCOc1ccc(O)c(CN2CC(F)(F)C(F)(F)C2)c1 ZINC000839161929 626531387 /nfs/dbraw/zinc/53/13/87/626531387.db2.gz SHRAEODSCFHISP-UHFFFAOYSA-N 0 0 293.260 2.877 20 10 CFCDRN Cc1cc2cc(CNC(=O)c3cccc(O)c3O)ccc2[nH]1 ZINC000804887660 626539177 /nfs/dbraw/zinc/53/91/77/626539177.db2.gz LEVWBVGOZWDAPH-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nn1 ZINC000839621989 626548609 /nfs/dbraw/zinc/54/86/09/626548609.db2.gz NICHDSGKKSNOQP-UHFFFAOYSA-N 0 0 285.347 2.543 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCOCC1CC1)CCC2 ZINC000839656784 626549842 /nfs/dbraw/zinc/54/98/42/626549842.db2.gz SLVFWDJFJYULDI-UHFFFAOYSA-N 0 0 291.391 2.883 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)O1 ZINC000757384915 626550088 /nfs/dbraw/zinc/55/00/88/626550088.db2.gz WCVZIRDBXBAHPP-RWSFTLGLSA-N 0 0 293.363 2.536 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2nc(C)cc(C)n2)c1 ZINC000758160819 626579418 /nfs/dbraw/zinc/57/94/18/626579418.db2.gz ZORLVXWLBMYUSJ-NSHDSACASA-N 0 0 273.336 2.981 20 10 CFCDRN CCCN(Cc1ccccc1O)c1ncc(C)cn1 ZINC000758186009 626580768 /nfs/dbraw/zinc/58/07/68/626580768.db2.gz WOEMQNFJOLZKAO-UHFFFAOYSA-N 0 0 257.337 2.907 20 10 CFCDRN O=C(OCCCCC(F)(F)F)c1cccc(O)c1O ZINC000758571508 626598536 /nfs/dbraw/zinc/59/85/36/626598536.db2.gz FSCKTHAVAPGIMQ-UHFFFAOYSA-N 0 0 278.226 2.987 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccsc2)C1 ZINC000759099378 626628401 /nfs/dbraw/zinc/62/84/01/626628401.db2.gz ODVZDRFAJDPORN-NSHDSACASA-N 0 0 295.385 2.729 20 10 CFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccncc1 ZINC000759589469 626673567 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/nfs/dbraw/zinc/63/39/30/628633930.db2.gz KXJNENVKBWTXAM-UHFFFAOYSA-N 0 0 273.288 2.742 20 10 CFCDRN COc1cccc(CNC(=O)c2ccnc(C3CC3)c2)c1O ZINC000783587721 628724273 /nfs/dbraw/zinc/72/42/73/628724273.db2.gz GKEBSYXOCWNKHG-UHFFFAOYSA-N 0 0 298.342 2.603 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783598847 628725192 /nfs/dbraw/zinc/72/51/92/628725192.db2.gz ASEPOGOQCZNGPT-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC[C@@H]1CCOC1 ZINC000783665232 628732447 /nfs/dbraw/zinc/73/24/47/628732447.db2.gz PXZAKGOSWONCIE-CYBMUJFWSA-N 0 0 261.365 2.874 20 10 CFCDRN C[C@@H](NC(=O)/C=C\c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000783718751 628737827 /nfs/dbraw/zinc/73/78/27/628737827.db2.gz QMLZGBKMIQOYGQ-BIRHUZIMSA-N 0 0 283.375 2.971 20 10 CFCDRN Oc1c(F)cccc1CN1CCc2ncsc2C1 ZINC000783744865 628741218 /nfs/dbraw/zinc/74/12/18/628741218.db2.gz KBGZSZKXZBGFBU-UHFFFAOYSA-N 0 0 264.325 2.546 20 10 CFCDRN C[C@@H]1CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783854871 628750341 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ZINC000784892271 628849788 /nfs/dbraw/zinc/84/97/88/628849788.db2.gz CBUDLIAQBPUIFA-LBPRGKRZSA-N 0 0 278.396 2.745 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000784892610 628849829 /nfs/dbraw/zinc/84/98/29/628849829.db2.gz FMIIDGMSCHKQFF-WFASDCNBSA-N 0 0 290.407 2.887 20 10 CFCDRN Cc1cscc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000785521990 628892081 /nfs/dbraw/zinc/89/20/81/628892081.db2.gz NTYNPPVUJHWGCA-UHFFFAOYSA-N 0 0 278.333 2.960 20 10 CFCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(N)c1F ZINC000786792363 628979651 /nfs/dbraw/zinc/97/96/51/628979651.db2.gz ALXIKMYFJMHERH-UHFFFAOYSA-N 0 0 291.282 2.658 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000787320341 629006660 /nfs/dbraw/zinc/00/66/60/629006660.db2.gz ZBFVPTZKIYPYAO-KSYCFECVSA-N 0 0 287.407 2.911 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000787406231 629011472 /nfs/dbraw/zinc/01/14/72/629011472.db2.gz MEAOTOHEMHOQSA-APAOZMKASA-N 0 0 290.363 2.560 20 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2.676 20 10 CFCDRN CCOc1ccc(CN2C[C@@H](O)Cc3ccccc32)c(O)c1 ZINC000789768352 629186560 /nfs/dbraw/zinc/18/65/60/629186560.db2.gz FGXJRTZMXOXGFY-HNNXBMFYSA-N 0 0 299.370 2.715 20 10 CFCDRN Cc1nc(CC2CC2)oc1C(=O)NCc1ccccc1O ZINC000789817524 629189675 /nfs/dbraw/zinc/18/96/75/629189675.db2.gz YYHSSUAEYQUKDP-UHFFFAOYSA-N 0 0 286.331 2.571 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789807566 629189818 /nfs/dbraw/zinc/18/98/18/629189818.db2.gz VKWBONUVFFYKMH-HNNXBMFYSA-N 0 0 295.338 2.721 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)c(O)c1O ZINC000789859422 629192557 /nfs/dbraw/zinc/19/25/57/629192557.db2.gz DCNNBLWEUHHUOE-ADEWGFFLSA-N 0 0 277.364 2.913 20 10 CFCDRN COc1ncccc1C(=O)CSc1nccs1 ZINC000789913214 629196364 /nfs/dbraw/zinc/19/63/64/629196364.db2.gz BRHQOKFIKQCNMO-UHFFFAOYSA-N 0 0 266.347 2.522 20 10 CFCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(O)c1O ZINC000790704244 629257981 /nfs/dbraw/zinc/25/79/81/629257981.db2.gz OJKQQRRIOZLHBU-BMIGLBTASA-N 0 0 283.327 2.761 20 10 CFCDRN Cc1ccccc1CC1CN(C(=O)c2cccc(O)c2O)C1 ZINC000790873149 629269559 /nfs/dbraw/zinc/26/95/59/629269559.db2.gz IBOMFABRZPHPNV-UHFFFAOYSA-N 0 0 297.354 2.721 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)c1cccc(O)c1O ZINC000790918764 629271737 /nfs/dbraw/zinc/27/17/37/629271737.db2.gz WRLQWYCSAPEHLL-UHFFFAOYSA-N 0 0 269.300 2.609 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cnn(C)c1 ZINC000790970751 629275409 /nfs/dbraw/zinc/27/54/09/629275409.db2.gz FEBQYFCWZROGCN-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835024927 629321504 /nfs/dbraw/zinc/32/15/04/629321504.db2.gz DQCHYZGLBONYAZ-KEGWNNHHSA-N 0 0 274.408 2.877 20 10 CFCDRN CCc1nnc([C@@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835043192 629338105 /nfs/dbraw/zinc/33/81/05/629338105.db2.gz QSRAEMOFBKGGDT-FMFIFOJESA-N 0 0 299.422 2.797 20 10 CFCDRN C[C@H](O)CN(C/C=C\c1ccc(N(C)C)cc1)CC(F)F ZINC000835054252 629356877 /nfs/dbraw/zinc/35/68/77/629356877.db2.gz IABHKOWLFRIKRS-ZFDPJTLLSA-N 0 0 298.377 2.714 20 10 CFCDRN CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000835068664 629368339 /nfs/dbraw/zinc/36/83/39/629368339.db2.gz AAOHFVKCZJHEJC-KRWDZBQOSA-N 0 0 291.391 2.946 20 10 CFCDRN CON1CCC([N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000835076028 629374007 /nfs/dbraw/zinc/37/40/07/629374007.db2.gz HBBMLVNRCVGCLX-UHFFFAOYSA-N 0 0 284.787 2.503 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H](C)C[C@H]1C ZINC000792093132 629396269 /nfs/dbraw/zinc/39/62/69/629396269.db2.gz QDOWDUWJHZCYIP-CHWSQXEVSA-N 0 0 275.396 2.753 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C(F)F ZINC000792094656 629396968 /nfs/dbraw/zinc/39/69/68/629396968.db2.gz ZRIIXBSPRYFXPS-UHFFFAOYSA-N 0 0 299.365 2.904 20 10 CFCDRN C[C@H]1COCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792166093 629404335 /nfs/dbraw/zinc/40/43/35/629404335.db2.gz OYZWEPUYRRGRHT-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN COC[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167978 629405077 /nfs/dbraw/zinc/40/50/77/629405077.db2.gz VQOGZXZHFJLHAF-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN COCC1=CC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792174803 629406127 /nfs/dbraw/zinc/40/61/27/629406127.db2.gz KUJBLKLYDQZOHC-UHFFFAOYSA-N 0 0 285.746 2.963 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792173851 629406194 /nfs/dbraw/zinc/40/61/94/629406194.db2.gz DPMCGKGFLXKNHX-NXEZZACHSA-N 0 0 286.778 2.709 20 10 CFCDRN O=C(Nc1nccn1-c1ccccc1)c1cccc(O)c1O ZINC000792479227 629427822 /nfs/dbraw/zinc/42/78/22/629427822.db2.gz USEADMSKKRBPSI-UHFFFAOYSA-N 0 0 295.298 2.536 20 10 CFCDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC000792675522 629443733 /nfs/dbraw/zinc/44/37/33/629443733.db2.gz XFQJPQXUARZAMR-SVRRBLITSA-N 0 0 279.283 2.867 20 10 CFCDRN COc1ccc(CNC(=O)NCCCC(C)C)c(O)c1 ZINC000792795859 629453045 /nfs/dbraw/zinc/45/30/45/629453045.db2.gz JGJVIEWDSOZWHK-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792850933 629458233 /nfs/dbraw/zinc/45/82/33/629458233.db2.gz SQBYSXWAOUVSKQ-QWRGUYRKSA-N 0 0 280.368 2.635 20 10 CFCDRN C[C@H]1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000792953424 629470014 /nfs/dbraw/zinc/47/00/14/629470014.db2.gz TXWLZBLMILNIDU-NWDGAFQWSA-N 0 0 262.353 2.628 20 10 CFCDRN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)OC)cc1F ZINC000793324679 629527375 /nfs/dbraw/zinc/52/73/75/629527375.db2.gz KEASSUYULVMQJV-GFCCVEGCSA-N 0 0 296.386 2.665 20 10 CFCDRN CCn1ncnc1CNCc1ccc(N2CCCCC2)cc1 ZINC000793345944 629529727 /nfs/dbraw/zinc/52/97/27/629529727.db2.gz KGMVIKHPLMQQRY-UHFFFAOYSA-N 0 0 299.422 2.578 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCC(F)F ZINC000793515561 629558811 /nfs/dbraw/zinc/55/88/11/629558811.db2.gz OHZZXNDSEACNBC-UHFFFAOYSA-N 0 0 270.323 2.723 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n(C)n1 ZINC000793562519 629571961 /nfs/dbraw/zinc/57/19/61/629571961.db2.gz VLVUECDYJCUVKE-VIFPVBQESA-N 0 0 281.306 2.563 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2)c(O)c1 ZINC000794379418 629642109 /nfs/dbraw/zinc/64/21/09/629642109.db2.gz RDINGFFMXWUYIO-ZDUSSCGKSA-N 0 0 299.370 2.896 20 10 CFCDRN COc1ccc(CNC(=O)c2cccn2C(C)C)c(O)c1 ZINC000794390234 629642667 /nfs/dbraw/zinc/64/26/67/629642667.db2.gz IREXHUPSPCPHPG-UHFFFAOYSA-N 0 0 288.347 2.713 20 10 CFCDRN COc1ccc(CNC(=O)Cc2ccc(C)s2)c(O)c1 ZINC000794389386 629642925 /nfs/dbraw/zinc/64/29/25/629642925.db2.gz MODXJMZMNARKTG-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN CC[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000852492286 634760640 /nfs/dbraw/zinc/76/06/40/634760640.db2.gz NUJDZKGQQDKVLZ-CYBMUJFWSA-N 0 0 277.412 2.988 20 10 CFCDRN COc1cccc(O)c1CNc1cn(C)nc1C(C)C ZINC000795593783 629808836 /nfs/dbraw/zinc/80/88/36/629808836.db2.gz AUJHTYRDTOLTEW-UHFFFAOYSA-N 0 0 275.352 2.870 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC(C)(C)C2)cc1F ZINC000795828477 629837738 /nfs/dbraw/zinc/83/77/38/629837738.db2.gz FKJWIKNZAMULJY-UHFFFAOYSA-N 0 0 278.371 2.944 20 10 CFCDRN CCN(Cc1ccnc(C)n1)c1ccc(OC)c(OC)c1 ZINC000796446296 629918507 /nfs/dbraw/zinc/91/85/07/629918507.db2.gz ANYAGVMUQWUDES-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN C[C@H]1COCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796497278 629926830 /nfs/dbraw/zinc/92/68/30/629926830.db2.gz IMVLCMXJWHVNMD-UWVGGRQHSA-N 0 0 287.762 2.947 20 10 CFCDRN COc1ccc(N(CCC(C)C)CC(=O)N(C)C)cc1 ZINC000796506785 629928040 /nfs/dbraw/zinc/92/80/40/629928040.db2.gz ZPYOGXIJDQRUPL-UHFFFAOYSA-N 0 0 278.396 2.636 20 10 CFCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000796525851 629930782 /nfs/dbraw/zinc/93/07/82/629930782.db2.gz GSMXYCFBWSZYJR-OIBJUYFYSA-N 0 0 270.716 2.842 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1[O-] ZINC000796697143 629952180 /nfs/dbraw/zinc/95/21/80/629952180.db2.gz UMMLFOFKBZTLSL-CYBMUJFWSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796703577 629952615 /nfs/dbraw/zinc/95/26/15/629952615.db2.gz KJBHTCZXUDZYCY-GWCFXTLKSA-N 0 0 253.317 2.609 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(F)cc1[O-] ZINC000796704428 629952713 /nfs/dbraw/zinc/95/27/13/629952713.db2.gz ZQODKVRJCXAIMX-TZMCWYRMSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(F)cc1[O-] ZINC000796704424 629953020 /nfs/dbraw/zinc/95/30/20/629953020.db2.gz ZQODKVRJCXAIMX-JSGCOSHPSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nccn1C)c1ccc(F)cc1[O-] ZINC000796751611 629959902 /nfs/dbraw/zinc/95/99/02/629959902.db2.gz AJJNVFHEZBCOBN-GFCCVEGCSA-N 0 0 263.316 2.506 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC(C)(C)F ZINC000852552518 634778042 /nfs/dbraw/zinc/77/80/42/634778042.db2.gz XTUIRZPXYRIHGJ-UHFFFAOYSA-N 0 0 295.402 2.998 20 10 CFCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796934980 629990538 /nfs/dbraw/zinc/99/05/38/629990538.db2.gz KTUMMRDPEMUBGT-OFQRWUPVSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(F)cc1[O-] ZINC000796954238 629995215 /nfs/dbraw/zinc/99/52/15/629995215.db2.gz PRYOBORUNMEWJA-OCCSQVGLSA-N 0 0 289.354 2.784 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(F)cc1[O-] ZINC000796954236 629995269 /nfs/dbraw/zinc/99/52/69/629995269.db2.gz PRYOBORUNMEWJA-JSGCOSHPSA-N 0 0 289.354 2.784 20 10 CFCDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797064072 630012044 /nfs/dbraw/zinc/01/20/44/630012044.db2.gz FXKPPPWQVXZACY-AUTRQRHGSA-N 0 0 282.365 2.703 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000852565104 634781468 /nfs/dbraw/zinc/78/14/68/634781468.db2.gz NADBYSVYSBKLAN-DYEKYZERSA-N 0 0 274.364 2.628 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000797579370 630083341 /nfs/dbraw/zinc/08/33/41/630083341.db2.gz HAYVSXYHYRHDJB-JKSUJKDBSA-N 0 0 287.407 2.693 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2c1CCO2 ZINC000797670243 630094366 /nfs/dbraw/zinc/09/43/66/630094366.db2.gz UOUFJPYKIJEWQC-UHFFFAOYSA-N 0 0 298.342 2.991 20 10 CFCDRN CC(C)[C@H](C(=O)NCc1ccccc1O)c1cccnc1 ZINC000797942157 630128068 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Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1C ZINC000798994937 630266788 /nfs/dbraw/zinc/26/67/88/630266788.db2.gz ZYLVJGNPFDTZJB-GFCCVEGCSA-N 0 0 285.391 2.891 20 10 CFCDRN CCOc1ccc(CNC2(C(F)F)CC2)c(O)c1 ZINC000800310701 630369868 /nfs/dbraw/zinc/36/98/68/630369868.db2.gz HEQRGKMUGSUULI-UHFFFAOYSA-N 0 0 257.280 2.678 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC2(C(F)F)CC2)c1 ZINC000800502317 630393378 /nfs/dbraw/zinc/39/33/78/630393378.db2.gz RSNVVFSICWNNNV-QMMMGPOBSA-N 0 0 257.280 2.849 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)c(O)c1O ZINC000800614389 630398614 /nfs/dbraw/zinc/39/86/14/630398614.db2.gz SHNUBNQKUSZALE-SNVBAGLBSA-N 0 0 285.290 2.666 20 10 CFCDRN CCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916644 630400106 /nfs/dbraw/zinc/40/01/06/630400106.db2.gz WDFIIHZUGLMRRI-ZIAGYGMSSA-N 0 0 292.423 2.533 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2ncnn2C)c1O ZINC000808714992 630404025 /nfs/dbraw/zinc/40/40/25/630404025.db2.gz GHPKUVQYPCFRKV-VHSXEESVSA-N 0 0 294.786 2.894 20 10 CFCDRN 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CCCCN(Cc1ccccc1O)C(=O)[C@H](O)C(C)C ZINC000803389815 630610902 /nfs/dbraw/zinc/61/09/02/630610902.db2.gz KQVVAQHLHXLECK-OAHLLOKOSA-N 0 0 279.380 2.538 20 10 CFCDRN O=C(OC[C@H]1Cc2ccccc21)c1cccc(O)c1O ZINC000803440603 630617897 /nfs/dbraw/zinc/61/78/97/630617897.db2.gz PTFBOQKXQSMTEB-LLVKDONJSA-N 0 0 270.284 2.595 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCc3cc(Cl)ccc32)cn1 ZINC000803482993 630622258 /nfs/dbraw/zinc/62/22/58/630622258.db2.gz HIZIPPVRRJXOSE-DJWKRKHSSA-N 0 0 287.750 2.676 20 10 CFCDRN Cc1cc2c(cc1C)N(C(=O)c1cccc(O)c1O)CC2 ZINC000804320204 630671546 /nfs/dbraw/zinc/67/15/46/630671546.db2.gz MNWNXTWTSQGNEN-UHFFFAOYSA-N 0 0 283.327 2.918 20 10 CFCDRN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccc(Cl)c1[O-] ZINC000806150243 630774649 /nfs/dbraw/zinc/77/46/49/630774649.db2.gz OBVFJJCBLLHHDR-NSHDSACASA-N 0 0 284.787 2.598 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(F)cc1[O-] ZINC000806170177 630779790 /nfs/dbraw/zinc/77/97/90/630779790.db2.gz WQNXUWMWMVPOMS-FZMZJTMJSA-N 0 0 269.360 2.837 20 10 CFCDRN C[C@H](F)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405653 630811158 /nfs/dbraw/zinc/81/11/58/630811158.db2.gz KJCOYLDKVCUUQQ-RYUDHWBXSA-N 0 0 281.375 2.861 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H](C)F)c1 ZINC000836480593 630830955 /nfs/dbraw/zinc/83/09/55/630830955.db2.gz CJMUVZGDUBFWHZ-NXEZZACHSA-N 0 0 284.331 2.509 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC(C)(F)F ZINC000836506054 630837311 /nfs/dbraw/zinc/83/73/11/630837311.db2.gz WTPMDIMFOAXDLB-UHFFFAOYSA-N 0 0 299.365 2.906 20 10 CFCDRN C[C@@H]1CC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000806958095 630850187 /nfs/dbraw/zinc/85/01/87/630850187.db2.gz CTUFYXCRWKWUGT-NXEZZACHSA-N 0 0 285.438 2.723 20 10 CFCDRN CC/C=C/CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000836571568 630851629 /nfs/dbraw/zinc/85/16/29/630851629.db2.gz FSAFZKSZKJBRIL-MVIFTORASA-N 0 0 278.352 2.727 20 10 CFCDRN CNC(=O)c1cnc(/C=C/c2ccc(N(C)C)cc2)s1 ZINC000102599012 630879506 /nfs/dbraw/zinc/87/95/06/630879506.db2.gz UBTZSRLXIOSKFU-RMKNXTFCSA-N 0 0 287.388 2.739 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(O)c1O ZINC000836812581 630889810 /nfs/dbraw/zinc/88/98/10/630889810.db2.gz YXKFAQLONKFEGP-MCTLKSGKSA-N 0 0 299.370 2.690 20 10 CFCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCC1 ZINC000836847255 630899002 /nfs/dbraw/zinc/89/90/02/630899002.db2.gz FGHIRRBCMYHNSA-VQHVLOKHSA-N 0 0 275.348 2.806 20 10 CFCDRN O=C(N[C@H](C1CC1)C(F)(F)F)C1=CC(=O)CS1 ZINC000807908166 630921986 /nfs/dbraw/zinc/92/19/86/630921986.db2.gz ZYGGITXUARQAEA-MRVPVSSYSA-N 0 0 265.256 2.524 20 10 CFCDRN CC(=O)C(=O)COc1ccc(Cl)cc1Br ZINC000808014992 630942538 /nfs/dbraw/zinc/94/25/38/630942538.db2.gz AYFOIGAYDXTYKQ-UHFFFAOYSA-N 0 0 291.528 2.639 20 10 CFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)CCC1(C)C ZINC000808169957 630963002 /nfs/dbraw/zinc/96/30/02/630963002.db2.gz IHAMVIZTWOQAPK-UHFFFAOYSA-N 0 0 288.391 2.806 20 10 CFCDRN Cc1ccc2c(c1)CN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000855379782 635524493 /nfs/dbraw/zinc/52/44/93/635524493.db2.gz XJEKWDQHBPVBLS-UHFFFAOYSA-N 0 0 297.354 2.913 20 10 CFCDRN CCC1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000837263326 630988980 /nfs/dbraw/zinc/98/89/80/630988980.db2.gz CRAUCROMEIWPAU-UHFFFAOYSA-N 0 0 283.375 2.971 20 10 CFCDRN CN(C)c1ccc(CNc2cccc3c2CNC3=O)cc1 ZINC000808420264 630989438 /nfs/dbraw/zinc/98/94/38/630989438.db2.gz ZGTLEDXMEKQZGU-UHFFFAOYSA-N 0 0 281.359 2.608 20 10 CFCDRN COc1cccc(O)c1CNCc1noc2c1CCCC2 ZINC000808437682 630992065 /nfs/dbraw/zinc/99/20/65/630992065.db2.gz UQKZOSYAXKBTHN-UHFFFAOYSA-N 0 0 288.347 2.557 20 10 CFCDRN Nc1ccc(CNC(=O)c2cnc(C3CC3)s2)cc1 ZINC000837303444 630993469 /nfs/dbraw/zinc/99/34/69/630993469.db2.gz PKWLWQPSRNZZLU-UHFFFAOYSA-N 0 0 273.361 2.533 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000808488097 631001409 /nfs/dbraw/zinc/00/14/09/631001409.db2.gz BAPCIQUIEBHUQV-UHFFFAOYSA-N 0 0 282.295 2.669 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000808497928 631003327 /nfs/dbraw/zinc/00/33/27/631003327.db2.gz YOWJXHWBSQAFOC-UHFFFAOYSA-N 0 0 299.326 2.673 20 10 CFCDRN CC[C@@H](CC(=O)OCC(=O)C(C)=O)c1ccc(C)cc1 ZINC000808518410 631006941 /nfs/dbraw/zinc/00/69/41/631006941.db2.gz BCDKKKYKLCAKJO-ZDUSSCGKSA-N 0 0 276.332 2.580 20 10 CFCDRN CCCCC[C@@](C)(CC)C(=O)OCC(=O)C(C)=O ZINC000808539685 631010826 /nfs/dbraw/zinc/01/08/26/631010826.db2.gz HBHYQVGNUKJNGA-CQSZACIVSA-N 0 0 256.342 2.684 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1csc2cc(C)ccc12 ZINC000808546787 631011571 /nfs/dbraw/zinc/01/15/71/631011571.db2.gz AYNLAWONPSPHOP-UHFFFAOYSA-N 0 0 276.313 2.525 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCCCO1 ZINC000837422851 631025515 /nfs/dbraw/zinc/02/55/15/631025515.db2.gz AJOUVLQWNUVJIZ-KRWDZBQOSA-N 0 0 290.407 2.636 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]1C1CC1 ZINC000837627194 631090989 /nfs/dbraw/zinc/09/09/89/631090989.db2.gz PRUCZGWUFJMKJI-QGZVFWFLSA-N 0 0 299.418 2.981 20 10 CFCDRN CC(C)(C)c1cc(COC(=O)c2cccc(O)c2O)no1 ZINC000837647562 631096490 /nfs/dbraw/zinc/09/64/90/631096490.db2.gz HNFUCZGFVKESJP-UHFFFAOYSA-N 0 0 291.303 2.740 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](C2CCC2)C1 ZINC000840572969 631165916 /nfs/dbraw/zinc/16/59/16/631165916.db2.gz MMBDEAIOOLAATL-VSKVDJIOSA-N 0 0 287.359 2.760 20 10 CFCDRN CNc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000042032861 649994444 /nfs/dbraw/zinc/99/44/44/649994444.db2.gz RJLUMSJKOWQPTO-UHFFFAOYSA-N 0 0 270.332 2.706 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](CF)C2)cc1C(C)C ZINC000840171234 631217842 /nfs/dbraw/zinc/21/78/42/631217842.db2.gz HNSQRLYLGOVSSO-CQSZACIVSA-N 0 0 281.371 2.994 20 10 CFCDRN CCn1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000840836366 631236277 /nfs/dbraw/zinc/23/62/77/631236277.db2.gz BNUARSPITKGWAS-ZDUSSCGKSA-N 0 0 272.396 2.820 20 10 CFCDRN CCn1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000840840079 631237795 /nfs/dbraw/zinc/23/77/95/631237795.db2.gz FGFJLNWUOAQGJY-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000840860197 631244386 /nfs/dbraw/zinc/24/43/86/631244386.db2.gz PZGCZKRDJDHSLP-JBLDHEPKSA-N 0 0 295.404 2.723 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000840889175 631253767 /nfs/dbraw/zinc/25/37/67/631253767.db2.gz FIXNESQLKMHQHW-GXFFZTMASA-N 0 0 298.814 2.999 20 10 CFCDRN CCc1nnc([C@@H](C)NCc2ccc(N(C)C)cc2C)[nH]1 ZINC000840936541 631268525 /nfs/dbraw/zinc/26/85/25/631268525.db2.gz KNAUEBDSVHJHNN-GFCCVEGCSA-N 0 0 287.411 2.592 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC1(C(F)F)CC1 ZINC000840943246 631273161 /nfs/dbraw/zinc/27/31/61/631273161.db2.gz YEBBXSUOWZHXNC-UHFFFAOYSA-N 0 0 254.324 2.948 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2noc(C)n2)c1 ZINC000809769638 631285006 /nfs/dbraw/zinc/28/50/06/631285006.db2.gz IWOWDVWWDFOEEJ-BDAKNGLRSA-N 0 0 277.324 2.504 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2noc(C)n2)c1 ZINC000809769640 631285179 /nfs/dbraw/zinc/28/51/79/631285179.db2.gz IWOWDVWWDFOEEJ-IUCAKERBSA-N 0 0 277.324 2.504 20 10 CFCDRN COc1cc(O)c(CN[C@@H]2CCCC2(F)F)cc1OC ZINC000809779986 631286977 /nfs/dbraw/zinc/28/69/77/631286977.db2.gz HFKATRHSEPPZAA-CYBMUJFWSA-N 0 0 287.306 2.687 20 10 CFCDRN COc1ccc(O)c(CNc2cccc3c2COC3=O)c1 ZINC000809792220 631292345 /nfs/dbraw/zinc/29/23/45/631292345.db2.gz MPQXVTMGQRQISN-UHFFFAOYSA-N 0 0 285.299 2.683 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840980426 631294112 /nfs/dbraw/zinc/29/41/12/631294112.db2.gz ZPLBVJUWRCRIDV-NXEZZACHSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000840995815 631297118 /nfs/dbraw/zinc/29/71/18/631297118.db2.gz ACHGXIMLEZBAQD-MRXNPFEDSA-N 0 0 299.370 2.795 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CCCCC(=O)[O-])cc1 ZINC000840997245 631298022 /nfs/dbraw/zinc/29/80/22/631298022.db2.gz UZQGURYVTAXDJS-UHFFFAOYSA-N 0 0 278.396 2.877 20 10 CFCDRN CCO/C=C\C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841065492 631328763 /nfs/dbraw/zinc/32/87/63/631328763.db2.gz QKHNQTAXUKRSHX-QXMHVHEDSA-N 0 0 276.380 2.699 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810174377 631339163 /nfs/dbraw/zinc/33/91/63/631339163.db2.gz SGERJTLYFAVDSK-HTQZYQBOSA-N 0 0 261.724 2.698 20 10 CFCDRN COCC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000841298394 631377350 /nfs/dbraw/zinc/37/73/50/631377350.db2.gz CFALPLGLESHUEO-UHFFFAOYSA-N 0 0 291.395 2.987 20 10 CFCDRN CCCc1nc(C)c(CNC(=O)Nc2ccc(N)cc2)o1 ZINC000841300008 631377742 /nfs/dbraw/zinc/37/77/42/631377742.db2.gz QCGOCOLHTUCZCU-UHFFFAOYSA-N 0 0 288.351 2.839 20 10 CFCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000841298786 631377903 /nfs/dbraw/zinc/37/79/03/631377903.db2.gz GLCUSTWTZXVHRO-UONOGXRCSA-N 0 0 289.379 2.690 20 10 CFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 ZINC000841300165 631378854 /nfs/dbraw/zinc/37/88/54/631378854.db2.gz PMTGXWWPNQYSRP-AWEZNQCLSA-N 0 0 291.395 2.986 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)OCCCF ZINC000841477154 631413053 /nfs/dbraw/zinc/41/30/53/631413053.db2.gz PHFAFVMWLUWPCO-UHFFFAOYSA-N 0 0 280.343 2.873 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841746514 631463130 /nfs/dbraw/zinc/46/31/30/631463130.db2.gz HDNYUSKCCUOMSW-NXEZZACHSA-N 0 0 256.777 2.646 20 10 CFCDRN CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744679 631463271 /nfs/dbraw/zinc/46/32/71/631463271.db2.gz JYCYFYHGWXLGCZ-SNVBAGLBSA-N 0 0 284.787 2.611 20 10 CFCDRN C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841749776 631464686 /nfs/dbraw/zinc/46/46/86/631464686.db2.gz QHOWCGOAKLYRGZ-TVQRCGJNSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1[O-] ZINC000841751375 631465522 /nfs/dbraw/zinc/46/55/22/631465522.db2.gz MOKBWASFYVGXRA-YUSALJHKSA-N 0 0 269.772 3.000 20 10 CFCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755346 631466234 /nfs/dbraw/zinc/46/62/34/631466234.db2.gz ZFLFLKJZUMGZQC-KXUCPTDWSA-N 0 0 257.761 2.856 20 10 CFCDRN CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756375 631466921 /nfs/dbraw/zinc/46/69/21/631466921.db2.gz XBUIFFARHRTIET-MWLCHTKSSA-N 0 0 289.828 2.810 20 10 CFCDRN C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(Cl)cc1[O-] ZINC000841761498 631468932 /nfs/dbraw/zinc/46/89/32/631468932.db2.gz FXIQILCUSVETRV-JTQLQIEISA-N 0 0 268.788 2.790 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000841807928 631473795 /nfs/dbraw/zinc/47/37/95/631473795.db2.gz GHYFNHQGYKDMKM-OLZOCXBDSA-N 0 0 278.396 2.732 20 10 CFCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841817748 631475343 /nfs/dbraw/zinc/47/53/43/631475343.db2.gz LDMWIFQQAVETPF-GFCCVEGCSA-N 0 0 275.396 2.689 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000841816665 631475691 /nfs/dbraw/zinc/47/56/91/631475691.db2.gz QQQGZQPYZHOWNP-CQSZACIVSA-N 0 0 278.396 2.589 20 10 CFCDRN CCc1ccccc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841831091 631477799 /nfs/dbraw/zinc/47/77/99/631477799.db2.gz BEVHRBWDNNVKOI-UHFFFAOYSA-N 0 0 297.402 2.873 20 10 CFCDRN C[C@H]1CC(NC(=O)NCCc2ccc(N)cc2)C[C@H](C)C1 ZINC000841830634 631478318 /nfs/dbraw/zinc/47/83/18/631478318.db2.gz KEJMAQGSFXWQGF-CHWSQXEVSA-N 0 0 289.423 2.935 20 10 CFCDRN CCSCC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841846266 631478751 /nfs/dbraw/zinc/47/87/51/631478751.db2.gz OBFGUDCHGOSQDN-LBPRGKRZSA-N 0 0 295.452 2.642 20 10 CFCDRN CC[C@H](C)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841841711 631479172 /nfs/dbraw/zinc/47/91/72/631479172.db2.gz UUEUBLKIOBJTGS-QWHCGFSZSA-N 0 0 277.412 2.935 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841915357 631492792 /nfs/dbraw/zinc/49/27/92/631492792.db2.gz FMBWEEFPXYSUCQ-HOCLYGCPSA-N 0 0 275.396 2.545 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841954297 631495819 /nfs/dbraw/zinc/49/58/19/631495819.db2.gz KRQKDLATFXFSEF-UHFFFAOYSA-N 0 0 295.386 2.892 20 10 CFCDRN Cc1cccc(CN(C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841956426 631496789 /nfs/dbraw/zinc/49/67/89/631496789.db2.gz DUKFDACXMVILEX-UHFFFAOYSA-N 0 0 297.402 2.961 20 10 CFCDRN CN(Cc1ccsc1)C(=O)NCCc1ccc(N)cc1 ZINC000841961229 631497072 /nfs/dbraw/zinc/49/70/72/631497072.db2.gz CZQTUAYCLDDZFZ-UHFFFAOYSA-N 0 0 289.404 2.714 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCc3ccccc3C2)cc1 ZINC000841961174 631497599 /nfs/dbraw/zinc/49/75/99/631497599.db2.gz ANZHOPFIEXUCJM-UHFFFAOYSA-N 0 0 295.386 2.579 20 10 CFCDRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)[C@H](C)O ZINC000842227931 631567986 /nfs/dbraw/zinc/56/79/86/631567986.db2.gz ZGTVUTUCDBZDBN-BBRMVZONSA-N 0 0 292.423 2.556 20 10 CFCDRN OCc1ccc(NCc2c(O)ccc(Cl)c2F)nc1 ZINC000811501604 631572867 /nfs/dbraw/zinc/57/28/67/631572867.db2.gz PJZLGDJVQSWHPS-UHFFFAOYSA-N 0 0 282.702 2.684 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CC(O)(c2ccccc2)C1 ZINC000811508924 631573309 /nfs/dbraw/zinc/57/33/09/631573309.db2.gz LDWIGWDFWWPKEE-UHFFFAOYSA-N 0 0 289.762 2.749 20 10 CFCDRN Oc1ccc(CCNc2cccc(Cl)n2)cc1O ZINC000811810828 631625724 /nfs/dbraw/zinc/62/57/24/631625724.db2.gz FAAGOYOIUWGQDV-UHFFFAOYSA-N 0 0 264.712 2.801 20 10 CFCDRN CC(C)(C)c1nnc(NCCc2ccc(O)c(O)c2)s1 ZINC000811811191 631625979 /nfs/dbraw/zinc/62/59/79/631625979.db2.gz PBUYNBAMZHPQTB-UHFFFAOYSA-N 0 0 293.392 2.901 20 10 CFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC000812223414 631670875 /nfs/dbraw/zinc/67/08/75/631670875.db2.gz XYULUPBMWPSHCX-UHFFFAOYSA-N 0 0 288.395 2.839 20 10 CFCDRN CC[C@H](NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000842771179 631735585 /nfs/dbraw/zinc/73/55/85/631735585.db2.gz HQKWFIFWKXWTAC-LBPRGKRZSA-N 0 0 265.353 2.602 20 10 CFCDRN Cc1nn(C)c2cc(NC(=O)C3=CC(=O)CS3)ccc12 ZINC000812617421 631744541 /nfs/dbraw/zinc/74/45/41/631744541.db2.gz DNVGXHSXUFEGIY-UHFFFAOYSA-N 0 0 287.344 2.901 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)C3CCC3)C2)cc1 ZINC000842878876 631771373 /nfs/dbraw/zinc/77/13/73/631771373.db2.gz DRWXFRYHQQFSAI-ZDUSSCGKSA-N 0 0 289.375 2.865 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(F)CC3)C2)cc1 ZINC000842876360 631771765 /nfs/dbraw/zinc/77/17/65/631771765.db2.gz XKJIFIBQNYTTRZ-GFCCVEGCSA-N 0 0 293.338 2.567 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@@H]3C)C2)cc1 ZINC000842876407 631772173 /nfs/dbraw/zinc/77/21/73/631772173.db2.gz SJBAGCXCYZJJPU-XEZPLFJOSA-N 0 0 289.375 2.721 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927417 631783720 /nfs/dbraw/zinc/78/37/20/631783720.db2.gz DMOSEYPZHLWIPW-SBMIAAHKSA-N 0 0 282.365 2.845 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000842927457 631784420 /nfs/dbraw/zinc/78/44/20/631784420.db2.gz FJIPSWRRRVIVRR-OUJBWJOFSA-N 0 0 295.404 2.723 20 10 CFCDRN C[C@@H](NC(=O)NCCCCF)c1ccc(N(C)C)cc1 ZINC000812903037 631804163 /nfs/dbraw/zinc/80/41/63/631804163.db2.gz OROOOWGBJUCOCV-GFCCVEGCSA-N 0 0 281.375 2.863 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCCCCF)ccc21 ZINC000812927337 631807490 /nfs/dbraw/zinc/80/74/90/631807490.db2.gz ZDQYZSXKEQNFKP-UHFFFAOYSA-N 0 0 293.386 2.618 20 10 CFCDRN O=C(NCCCCF)NCc1c(O)ccc2c1CCCC2 ZINC000812926793 631807565 /nfs/dbraw/zinc/80/75/65/631807565.db2.gz NLPRAKOWSRGRTJ-UHFFFAOYSA-N 0 0 294.370 2.820 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000843041138 631810874 /nfs/dbraw/zinc/81/08/74/631810874.db2.gz OVQHOTUKXZVCTM-QMTHXVAHSA-N 0 0 277.364 2.552 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000843043508 631812003 /nfs/dbraw/zinc/81/20/03/631812003.db2.gz VUPZIJNJTSCKBM-CYBMUJFWSA-N 0 0 282.347 2.685 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000843043488 631812074 /nfs/dbraw/zinc/81/20/74/631812074.db2.gz VIJOUWBOVXLNQU-IUODEOHRSA-N 0 0 289.379 2.692 20 10 CFCDRN C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843046394 631813176 /nfs/dbraw/zinc/81/31/76/631813176.db2.gz UALXNAAOZSNOGP-NOZJJQNGSA-N 0 0 286.778 2.886 20 10 CFCDRN C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1C[NH3+] ZINC000843051811 631816169 /nfs/dbraw/zinc/81/61/69/631816169.db2.gz MAYJDDLSVYYYEE-JOYOIKCWSA-N 0 0 286.778 2.744 20 10 CFCDRN CCN1C(=O)/C(=C\c2cccc3c2OCO3)SC1=S ZINC000044012629 650032720 /nfs/dbraw/zinc/03/27/20/650032720.db2.gz RADOBPNPPCZMEQ-UXBLZVDNSA-N 0 0 293.369 2.636 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118222 631840044 /nfs/dbraw/zinc/84/00/44/631840044.db2.gz DOYJTGKFBFIQBY-HNNXBMFYSA-N 0 0 298.789 2.760 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843127331 631847089 /nfs/dbraw/zinc/84/70/89/631847089.db2.gz FEBNJMWYLODVMH-ZDUSSCGKSA-N 0 0 298.789 2.949 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129497 631848705 /nfs/dbraw/zinc/84/87/05/631848705.db2.gz UZPAVYJSTHLJQT-ZDUSSCGKSA-N 0 0 298.789 2.949 20 10 CFCDRN CC(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)n(C)n1 ZINC000843158414 631869723 /nfs/dbraw/zinc/86/97/23/631869723.db2.gz CMVPFSQQMQGFSQ-UHFFFAOYSA-N 0 0 297.362 2.767 20 10 CFCDRN CC(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1C ZINC000843159587 631871374 /nfs/dbraw/zinc/87/13/74/631871374.db2.gz BNZUGIYVPQAHHR-UHFFFAOYSA-N 0 0 297.362 2.767 20 10 CFCDRN CCCc1nc(-c2noc(Cc3ccc(N)cc3)n2)co1 ZINC000843232640 631906845 /nfs/dbraw/zinc/90/68/45/631906845.db2.gz QWJRSYAYBUQXKC-UHFFFAOYSA-N 0 0 284.319 2.850 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000843343085 631932446 /nfs/dbraw/zinc/93/24/46/631932446.db2.gz SIAYAFQDPUMTLE-DZGCQCFKSA-N 0 0 274.408 3.000 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@@]2(CCSC2)C1 ZINC000843417319 631948620 /nfs/dbraw/zinc/94/86/20/631948620.db2.gz AWMAUEXRWBCFQX-AWEZNQCLSA-N 0 0 299.823 2.754 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCC[C@@H]2C2CCC2)cc1 ZINC000843513408 631972103 /nfs/dbraw/zinc/97/21/03/631972103.db2.gz CYLYDWKOEKQCGA-MRXNPFEDSA-N 0 0 272.392 2.993 20 10 CFCDRN CC[C@H]([NH2+]C1COCCOC1)c1cccc(Cl)c1[O-] ZINC000813880774 631972320 /nfs/dbraw/zinc/97/23/20/631972320.db2.gz OPYUPBVSPCYCLJ-ZDUSSCGKSA-N 0 0 285.771 2.502 20 10 CFCDRN COCC1(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000843581267 631994633 /nfs/dbraw/zinc/99/46/33/631994633.db2.gz QSSJBWYNPJPZJK-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN O=C(/C=C/C1CCCC1)NCCc1ccc(O)c(O)c1 ZINC000843833273 632063691 /nfs/dbraw/zinc/06/36/91/632063691.db2.gz QUPXHQVJHRPJJD-SOFGYWHQSA-N 0 0 275.348 2.503 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000843831762 632063748 /nfs/dbraw/zinc/06/37/48/632063748.db2.gz RCVAZNSENGOMKL-NWDGAFQWSA-N 0 0 277.364 2.786 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCC(F)CC1 ZINC000844097128 632118135 /nfs/dbraw/zinc/11/81/35/632118135.db2.gz MNOVYWCTOMZFAJ-XBXARRHUSA-N 0 0 293.338 2.756 20 10 CFCDRN Cc1cnccc1SCC(=O)c1ccc(O)c(O)c1 ZINC000814806713 632128738 /nfs/dbraw/zinc/12/87/38/632128738.db2.gz NNVZTFLLSLPBOH-UHFFFAOYSA-N 0 0 275.329 2.776 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc2n(n1)CCC2 ZINC000844273160 632151134 /nfs/dbraw/zinc/15/11/34/632151134.db2.gz CJOBUGNCUNGSRK-UHFFFAOYSA-N 0 0 283.375 2.791 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C2([C@H](C)C(=O)[O-])CC2)cc1 ZINC000844289392 632157824 /nfs/dbraw/zinc/15/78/24/632157824.db2.gz CJAJDZSHLNWQAN-CYBMUJFWSA-N 0 0 290.407 2.876 20 10 CFCDRN CCn1cc(CCN(C)c2ccc(OC)cc2)cn1 ZINC000844352983 632177830 /nfs/dbraw/zinc/17/78/30/632177830.db2.gz MAWPCEXSDMGVMJ-UHFFFAOYSA-N 0 0 259.353 2.591 20 10 CFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815073265 632195017 /nfs/dbraw/zinc/19/50/17/632195017.db2.gz ZRDZMRPHHIWTFG-HNNXBMFYSA-N 0 0 292.423 2.738 20 10 CFCDRN CO[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000815153823 632219404 /nfs/dbraw/zinc/21/94/04/632219404.db2.gz YTEPVEHPBUZAOH-GFCCVEGCSA-N 0 0 273.735 2.699 20 10 CFCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000844662966 632277610 /nfs/dbraw/zinc/27/76/10/632277610.db2.gz IEWBWIIYUCFXRA-MRVPVSSYSA-N 0 0 293.335 2.991 20 10 CFCDRN CC[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552738 632287619 /nfs/dbraw/zinc/28/76/19/632287619.db2.gz JGEUGMIEEHTESW-RKDXNWHRSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577697 632291339 /nfs/dbraw/zinc/29/13/39/632291339.db2.gz WONCOCUATNFRQT-QMMMGPOBSA-N 0 0 285.269 2.985 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C2=CCCC2)cc1 ZINC000844854810 632324062 /nfs/dbraw/zinc/32/40/62/632324062.db2.gz NSULNNWYGBUSTQ-UHFFFAOYSA-N 0 0 288.391 2.700 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(F)c(C)c2)c1O ZINC000105650267 632326306 /nfs/dbraw/zinc/32/63/06/632326306.db2.gz SYJUKZLRTGJFCI-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN O=C(NCCC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000845026066 632359497 /nfs/dbraw/zinc/35/94/97/632359497.db2.gz VTVJNFLNZHVJTC-UHFFFAOYSA-N 0 0 296.676 2.797 20 10 CFCDRN Cn1cc(C(=O)CSc2ncc(C(C)(C)C)s2)nn1 ZINC000845308917 632408214 /nfs/dbraw/zinc/40/82/14/632408214.db2.gz CLZASFQVGSIRBE-UHFFFAOYSA-N 0 0 296.421 2.544 20 10 CFCDRN CCc1nocc1CN1CCc2cc(OC)ccc21 ZINC000816478324 632467056 /nfs/dbraw/zinc/46/70/56/632467056.db2.gz BLLDEXCHALFVJR-UHFFFAOYSA-N 0 0 258.321 2.808 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000816528534 632479735 /nfs/dbraw/zinc/47/97/35/632479735.db2.gz HHEJJVCHAWJQBV-UHFFFAOYSA-N 0 0 266.703 2.870 20 10 CFCDRN COc1ccc(CNC(=O)CC(C)(C)C2CC2)c(O)c1 ZINC000816550706 632481910 /nfs/dbraw/zinc/48/19/10/632481910.db2.gz YXRVQHKKQJYFTH-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)c2sccc2F)c(O)c1 ZINC000816550993 632482061 /nfs/dbraw/zinc/48/20/61/632482061.db2.gz KWGNZILIUUBRBV-UHFFFAOYSA-N 0 0 281.308 2.531 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816551961 632482411 /nfs/dbraw/zinc/48/24/11/632482411.db2.gz WORAAPJPIWLWJV-GFCCVEGCSA-N 0 0 275.751 2.945 20 10 CFCDRN C[C@H]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816563162 632485436 /nfs/dbraw/zinc/48/54/36/632485436.db2.gz MMVREUKYLBESGW-JTQLQIEISA-N 0 0 286.778 2.616 20 10 CFCDRN Cc1nnc(CNCc2ccc3ccccc3c2O)s1 ZINC000816566345 632486383 /nfs/dbraw/zinc/48/63/83/632486383.db2.gz RXFWGGNJXWACMH-UHFFFAOYSA-N 0 0 285.372 2.995 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1(O)CCC1 ZINC000816569732 632487660 /nfs/dbraw/zinc/48/76/60/632487660.db2.gz VAQPTXYKXXMFHM-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571420 632487819 /nfs/dbraw/zinc/48/78/19/632487819.db2.gz CYFWUUIFKBQGMM-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cc[nH]c(=O)c1 ZINC000816639436 632499728 /nfs/dbraw/zinc/49/97/28/632499728.db2.gz RLWBTVACOXESNE-SECBINFHSA-N 0 0 278.739 2.997 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2cccc(F)n2)cc1 ZINC000845666970 632512512 /nfs/dbraw/zinc/51/25/12/632512512.db2.gz KYDLOMGQLUCKCX-UHFFFAOYSA-N 0 0 289.354 2.802 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/COc1ccccc1 ZINC000816889171 632531677 /nfs/dbraw/zinc/53/16/77/632531677.db2.gz OPDLCLQHODDYKA-KPKJPENVSA-N 0 0 297.354 2.986 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)C3CC3)cc12 ZINC000817152344 632564557 /nfs/dbraw/zinc/56/45/57/632564557.db2.gz ZOQJNSFLPBTVHV-UHFFFAOYSA-N 0 0 279.361 2.666 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC2(CSC)CC2)c1 ZINC000845832572 632577432 /nfs/dbraw/zinc/57/74/32/632577432.db2.gz FCKQHASNWFBCAP-UHFFFAOYSA-N 0 0 295.404 2.550 20 10 CFCDRN C[C@H](COCC(=O)NCc1ccccc1O)c1ccccc1 ZINC000845833052 632577526 /nfs/dbraw/zinc/57/75/26/632577526.db2.gz HKKRRJOGCKFXJF-CQSZACIVSA-N 0 0 299.370 2.829 20 10 CFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCO ZINC000817298207 632598866 /nfs/dbraw/zinc/59/88/66/632598866.db2.gz IGGMPAZVAYMXBU-CQSZACIVSA-N 0 0 263.381 2.712 20 10 CFCDRN Cc1c(Cl)c(CNCc2ccc3c(c2)CCO3)nn1C ZINC000817407635 632621541 /nfs/dbraw/zinc/62/15/41/632621541.db2.gz WOJSIMISWOYKOF-UHFFFAOYSA-N 0 0 291.782 2.607 20 10 CFCDRN Cc1c(Cl)c(CN(C)c2ccc3c(c2)OCO3)nn1C ZINC000817411050 632623328 /nfs/dbraw/zinc/62/33/28/632623328.db2.gz YODQHEVAYQEFKC-UHFFFAOYSA-N 0 0 293.754 2.747 20 10 CFCDRN CC(C)(C)n1cc(CNCc2cc(Cl)ccc2O)nn1 ZINC000846054687 632625100 /nfs/dbraw/zinc/62/51/00/632625100.db2.gz DOZMKYUVYVWCLL-UHFFFAOYSA-N 0 0 294.786 2.682 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)c(O)c1 ZINC000846061387 632627165 /nfs/dbraw/zinc/62/71/65/632627165.db2.gz ODTJMWDSVWTBLV-CABCVRRESA-N 0 0 289.375 2.843 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)CC2(F)F)cc1F ZINC000817430339 632632442 /nfs/dbraw/zinc/63/24/42/632632442.db2.gz FOGRYEPJHUGMKL-ZDUSSCGKSA-N 0 0 286.297 2.553 20 10 CFCDRN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000817587168 632671455 /nfs/dbraw/zinc/67/14/55/632671455.db2.gz VQBMCSMOZASQGC-LBPRGKRZSA-N 0 0 296.798 2.742 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474197 632715670 /nfs/dbraw/zinc/71/56/70/632715670.db2.gz RYUOMQIPRJYYKR-RYUDHWBXSA-N 0 0 267.756 2.954 20 10 CFCDRN CC(C)CO[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472393 632715870 /nfs/dbraw/zinc/71/58/70/632715870.db2.gz JIILMHLYEGBFOM-JTQLQIEISA-N 0 0 285.771 2.723 20 10 CFCDRN O=C(CCC(F)F)NCc1cc(Cl)ccc1O ZINC000846474660 632715962 /nfs/dbraw/zinc/71/59/62/632715962.db2.gz YTIZPEWEPAMTCT-UHFFFAOYSA-N 0 0 263.671 2.707 20 10 CFCDRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475487 632716046 /nfs/dbraw/zinc/71/60/46/632716046.db2.gz HOJGJIXBSCPLLK-RNCFNFMXSA-N 0 0 295.766 2.667 20 10 CFCDRN CCOC1CC(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474583 632716407 /nfs/dbraw/zinc/71/64/07/632716407.db2.gz VQTLFJSSIPUFKT-UHFFFAOYSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881441 632717014 /nfs/dbraw/zinc/71/70/14/632717014.db2.gz SJWABOVLZAWCPN-ONGXEEELSA-N 0 0 283.755 2.731 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846477624 632717605 /nfs/dbraw/zinc/71/76/05/632717605.db2.gz UFNHVMPBJVUTKD-LDYMZIIASA-N 0 0 253.729 2.708 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000846660256 632766777 /nfs/dbraw/zinc/76/67/77/632766777.db2.gz WFJJRJOPKDAEHY-WCBMZHEXSA-N 0 0 281.327 2.791 20 10 CFCDRN C[C@@]1(CCNC(=O)C2=CC(=O)CS2)C[C@@]1(F)Cl ZINC000846657225 632766905 /nfs/dbraw/zinc/76/69/05/632766905.db2.gz AAIOQCIUPHQPNF-MNOVXSKESA-N 0 0 277.748 2.888 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000846689639 632775236 /nfs/dbraw/zinc/77/52/36/632775236.db2.gz APVYZPZYLAKOKE-GXTWGEPZSA-N 0 0 260.381 2.752 20 10 CFCDRN CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)F ZINC000846716761 632780448 /nfs/dbraw/zinc/78/04/48/632780448.db2.gz HIIVGSYLHSOZJQ-SECBINFHSA-N 0 0 292.713 2.889 20 10 CFCDRN CCOCCOCCN(C)c1ccc(OCC)cc1 ZINC000846752387 632784889 /nfs/dbraw/zinc/78/48/89/632784889.db2.gz LHEWVHRCORIROK-UHFFFAOYSA-N 0 0 267.369 2.575 20 10 CFCDRN CC/C=C(\C)C(=O)NCc1ccc2cccnc2c1O ZINC000818032637 632790692 /nfs/dbraw/zinc/79/06/92/632790692.db2.gz ACSXNWMTNRQMFE-VZUCSPMQSA-N 0 0 270.332 2.913 20 10 CFCDRN CSC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991830 632871754 /nfs/dbraw/zinc/87/17/54/632871754.db2.gz HNYQYPAFLUJLJB-ZDUSSCGKSA-N 0 0 294.445 2.970 20 10 CFCDRN CN(C[C@@H]1CCC(=O)N1)c1ccc(-c2nccs2)cc1 ZINC000846990381 632871867 /nfs/dbraw/zinc/87/18/67/632871867.db2.gz AHJFERUDPZOXOO-LBPRGKRZSA-N 0 0 287.388 2.525 20 10 CFCDRN CN(C)c1ccc(CN2Cc3ccccc3NC(=O)C2)cc1 ZINC000847045721 632901675 /nfs/dbraw/zinc/90/16/75/632901675.db2.gz UQGCJTZLHVRAOK-UHFFFAOYSA-N 0 0 295.386 2.707 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCC2 ZINC000818987809 632924308 /nfs/dbraw/zinc/92/43/08/632924308.db2.gz XMYAOMCXVFYCCH-ALCCZGGFSA-N 0 0 296.326 2.633 20 10 CFCDRN CCOC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000819279489 633050914 /nfs/dbraw/zinc/05/09/14/633050914.db2.gz KCMSFYWFWLSGNU-UHFFFAOYSA-N 0 0 298.386 2.955 20 10 CFCDRN COc1ccccc1NC[C@H](O)Cc1ccc(F)cc1 ZINC000819394245 633146467 /nfs/dbraw/zinc/14/64/67/633146467.db2.gz UQNBIUMIKZRKNQ-CQSZACIVSA-N 0 0 275.323 2.850 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cnccn1 ZINC000840385303 633169675 /nfs/dbraw/zinc/16/96/75/633169675.db2.gz UYHNGDKKNBJMLC-ZDUSSCGKSA-N 0 0 270.380 2.894 20 10 CFCDRN CC(C)[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848639728 633305439 /nfs/dbraw/zinc/30/54/39/633305439.db2.gz KJHOOOYIXGKMON-OGZRUICASA-N 0 0 290.407 2.712 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1O ZINC000848639768 633305931 /nfs/dbraw/zinc/30/59/31/633305931.db2.gz LGHCXEPPNSUYGK-UHFFFAOYSA-N 0 0 283.755 2.793 20 10 CFCDRN COc1c(C)nc(C2CC2)nc1NCc1ccccc1O ZINC000848661168 633312276 /nfs/dbraw/zinc/31/22/76/633312276.db2.gz UIOCHAIKAKMEQH-UHFFFAOYSA-N 0 0 285.347 2.989 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cnc(Cl)n2C)cc1 ZINC000848878144 633357709 /nfs/dbraw/zinc/35/77/09/633357709.db2.gz YSPRBWCVXJTNIU-UHFFFAOYSA-N 0 0 292.814 2.772 20 10 CFCDRN CCc1cccc(CN[C@@H](C(=O)OC)C(C)(C)C)c1O ZINC000848900340 633388363 /nfs/dbraw/zinc/38/83/63/633388363.db2.gz DXFHMVMYGRLJCX-AWEZNQCLSA-N 0 0 279.380 2.632 20 10 CFCDRN CCCC[C@@H](NCc1cccc(CC)c1O)C(=O)OC ZINC000848903298 633390820 /nfs/dbraw/zinc/39/08/20/633390820.db2.gz PHYJUNNIJXOBEZ-CQSZACIVSA-N 0 0 279.380 2.776 20 10 CFCDRN CCc1cccc(CN(CCO)c2ccccc2)c1O ZINC000848906652 633394260 /nfs/dbraw/zinc/39/42/60/633394260.db2.gz XOWQQCOHKVYOGN-UHFFFAOYSA-N 0 0 271.360 2.954 20 10 CFCDRN CCc1cccc(CN(C)Cc2nncn2C(C)C)c1O ZINC000848913772 633397511 /nfs/dbraw/zinc/39/75/11/633397511.db2.gz DQZZKTBHQPBKAC-UHFFFAOYSA-N 0 0 288.395 2.759 20 10 CFCDRN Cc1cccc(CN[C@@H](C)C(=O)OCc2ccccc2)c1O ZINC000848920689 633402976 /nfs/dbraw/zinc/40/29/76/633402976.db2.gz JIJDQEPMBQZOIS-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN CCOc1ccc(O)c(CN(C)[C@H](C)c2nc(C)no2)c1 ZINC000848925934 633409201 /nfs/dbraw/zinc/40/92/01/633409201.db2.gz NVDLAWZLILIOQD-SNVBAGLBSA-N 0 0 291.351 2.675 20 10 CFCDRN C[C@@H](O)C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000848928430 633410831 /nfs/dbraw/zinc/41/08/31/633410831.db2.gz DANUQZCKVAYMDH-MRVPVSSYSA-N 0 0 273.735 2.530 20 10 CFCDRN C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Cl)ccc2O)C1 ZINC000849049582 633481120 /nfs/dbraw/zinc/48/11/20/633481120.db2.gz SDHLUCUDONAYLJ-SNVBAGLBSA-N 0 0 281.787 2.802 20 10 CFCDRN Clc1cnc(SC[C@@H]2CCOCO2)s1 ZINC000849999046 633786457 /nfs/dbraw/zinc/78/64/57/633786457.db2.gz VXSSAXONTJAGHP-LURJTMIESA-N 0 0 251.760 2.652 20 10 CFCDRN Clc1cnc(SCCC2OCCO2)s1 ZINC000850000490 633786629 /nfs/dbraw/zinc/78/66/29/633786629.db2.gz WUIYGQPJWFUVOU-UHFFFAOYSA-N 0 0 251.760 2.652 20 10 CFCDRN CC[C@H](Sc1ncc(Cl)s1)C(=O)OC ZINC000849999771 633786886 /nfs/dbraw/zinc/78/68/86/633786886.db2.gz XRXMQHCGQXHADE-YFKPBYRVSA-N 0 0 251.760 2.840 20 10 CFCDRN Cn1nccc1CCSc1ncc(Cl)s1 ZINC000849999944 633787029 /nfs/dbraw/zinc/78/70/29/633787029.db2.gz DITJYLCUEABBTM-UHFFFAOYSA-N 0 0 259.787 2.865 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850498870 634018848 /nfs/dbraw/zinc/01/88/48/634018848.db2.gz FDXJZWFJWRAUQH-JIMOISOXSA-N 0 0 290.342 2.870 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850503473 634021732 /nfs/dbraw/zinc/02/17/32/634021732.db2.gz XDVOKWOAIKPNFP-YBQGDOTASA-N 0 0 299.411 2.872 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000850512950 634024669 /nfs/dbraw/zinc/02/46/69/634024669.db2.gz CCBHGCAVKPBUTF-DLOVCJGASA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(Cl)cc1[O-] ZINC000850516275 634027726 /nfs/dbraw/zinc/02/77/26/634027726.db2.gz UEYJITURIYUDAO-UWVGGRQHSA-N 0 0 269.772 2.857 20 10 CFCDRN CCn1cc(CN[C@H](C)c2cc(Cl)ccc2O)nn1 ZINC000850522138 634030408 /nfs/dbraw/zinc/03/04/08/634030408.db2.gz DSQUJYYMSYDAPL-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850526208 634033845 /nfs/dbraw/zinc/03/38/45/634033845.db2.gz UEFOXHKUDRESKP-WDEREUQCSA-N 0 0 292.335 2.663 20 10 CFCDRN C[C@H]([NH2+]CC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850554295 634051096 /nfs/dbraw/zinc/05/10/96/634051096.db2.gz IMLFQSIGMZTWES-ZBOXLXRLSA-N 0 0 294.351 2.502 20 10 CFCDRN Cc1ccc(NCc2ccc3c(c2)CCCN3C)nn1 ZINC000853239547 634948735 /nfs/dbraw/zinc/94/87/35/634948735.db2.gz ALMIEQDAMLOZKF-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@](C)(C(F)F)O1 ZINC000853321253 634967669 /nfs/dbraw/zinc/96/76/69/634967669.db2.gz MCKDTNCFRWFCPL-YMTOWFKASA-N 0 0 299.321 2.545 20 10 CFCDRN Fc1cc(NCCCSc2nccs2)ncn1 ZINC000853326471 634969906 /nfs/dbraw/zinc/96/99/06/634969906.db2.gz BCNRAGIJRGRCFB-UHFFFAOYSA-N 0 0 270.358 2.667 20 10 CFCDRN Cc1ccc(NCc2ccc(N3CC=CC3)cc2)nn1 ZINC000853365133 634983901 /nfs/dbraw/zinc/98/39/01/634983901.db2.gz QKNBTXCDZQUGEU-UHFFFAOYSA-N 0 0 266.348 2.773 20 10 CFCDRN Oc1cc2c(cc1CN1CCc3nccnc3C1)CCCC2 ZINC000853607108 635047777 /nfs/dbraw/zinc/04/77/77/635047777.db2.gz URZDRJHLNZABKD-UHFFFAOYSA-N 0 0 295.386 2.619 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ccc(F)cn3)C2)cc1 ZINC000853760104 635098042 /nfs/dbraw/zinc/09/80/42/635098042.db2.gz ICYSSMONERCNGS-CYBMUJFWSA-N 0 0 287.338 2.920 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1C[C@H]2C[C@H]2C1 ZINC000853908495 635157898 /nfs/dbraw/zinc/15/78/98/635157898.db2.gz ZDTZNMZVDWLLQL-CFTAVZKXSA-N 0 0 274.316 2.700 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1C[C@H]2C[C@H]2C1 ZINC000853908496 635158074 /nfs/dbraw/zinc/15/80/74/635158074.db2.gz ZDTZNMZVDWLLQL-MPNATSTRSA-N 0 0 274.316 2.700 20 10 CFCDRN COc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000854270234 635277911 /nfs/dbraw/zinc/27/79/11/635277911.db2.gz HTQNZHFZRAGECA-UHFFFAOYSA-N 0 0 298.386 3.000 20 10 CFCDRN Cc1cc(C(=O)N2CCOC2)c(C)n1-c1ccccc1C ZINC000854805048 635397644 /nfs/dbraw/zinc/39/76/44/635397644.db2.gz FBGZOKOQSHWLLV-UHFFFAOYSA-N 0 0 284.359 2.832 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC2)cc1 ZINC000854804819 635397879 /nfs/dbraw/zinc/39/78/79/635397879.db2.gz AWVMSQUWBGEECX-UHFFFAOYSA-N 0 0 270.332 2.524 20 10 CFCDRN C[C@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccccc2O)C1 ZINC000112724697 635411817 /nfs/dbraw/zinc/41/18/17/635411817.db2.gz FETIPSJWHYPLJA-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(NC1(C2CCC2)CCC1)C1=CC(=O)CS1 ZINC000854915034 635422943 /nfs/dbraw/zinc/42/29/43/635422943.db2.gz FLRVURYPFJVREI-UHFFFAOYSA-N 0 0 251.351 2.906 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000855022735 635444078 /nfs/dbraw/zinc/44/40/78/635444078.db2.gz HOFCFCAOBBCPJW-MYJAWHEDSA-N 0 0 265.740 2.708 20 10 CFCDRN CC/C=C(\C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229746 635490111 /nfs/dbraw/zinc/49/01/11/635490111.db2.gz LVZVDECDRUMUFR-BRRGFWCPSA-N 0 0 288.391 2.746 20 10 CFCDRN CC/C(C)=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223947 635490396 /nfs/dbraw/zinc/49/03/96/635490396.db2.gz JKPHRSNJCVIFAT-CMPYXILNSA-N 0 0 288.391 2.746 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C2CC2)C2CC2)c(O)c1O ZINC000856121219 635730063 /nfs/dbraw/zinc/73/00/63/635730063.db2.gz DOFJUDWVVWXKMV-UHFFFAOYSA-N 0 0 275.348 2.715 20 10 CFCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856243883 635764181 /nfs/dbraw/zinc/76/41/81/635764181.db2.gz UNQNXSXWCAIKME-KRUWGJBBSA-N 0 0 287.359 2.901 20 10 CFCDRN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000856393703 635804691 /nfs/dbraw/zinc/80/46/91/635804691.db2.gz WSKSSFSQECOCFN-KOMQPUFPSA-N 0 0 298.386 2.656 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2ccccc2)c1 ZINC000114540717 635837466 /nfs/dbraw/zinc/83/74/66/635837466.db2.gz ZBKLXCTZWJFICL-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN CCc1ccc(C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114544250 635838165 /nfs/dbraw/zinc/83/81/65/635838165.db2.gz KLIYKBSPBOMCOH-UHFFFAOYSA-N 0 0 285.343 2.893 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(C)ccc2F)c1 ZINC000114544414 635838187 /nfs/dbraw/zinc/83/81/87/635838187.db2.gz LKXGEGAFITUDBM-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(C)s2)c1 ZINC000114542529 635838769 /nfs/dbraw/zinc/83/87/69/635838769.db2.gz HQFUIEKKFSIVOP-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)s2)c1 ZINC000114542832 635839031 /nfs/dbraw/zinc/83/90/31/635839031.db2.gz WIORDRBLLWZMBV-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCC2CCCC2)c1 ZINC000114543782 635839132 /nfs/dbraw/zinc/83/91/32/635839132.db2.gz PWJGLYUFJLZUIZ-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2CCCCCC2)c1 ZINC000114543481 635839138 /nfs/dbraw/zinc/83/91/38/635839138.db2.gz ACENILQCKGWRMK-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CC=CCC2)c1 ZINC000114592256 635847992 /nfs/dbraw/zinc/84/79/92/635847992.db2.gz GDVDZRZWUWNDGL-LBPRGKRZSA-N 0 0 290.363 2.556 20 10 CFCDRN O=C(COc1ccccc1)NCc1cc(Cl)ccc1O ZINC000857547073 635982752 /nfs/dbraw/zinc/98/27/52/635982752.db2.gz QAVLSANNTQVEFQ-UHFFFAOYSA-N 0 0 291.734 2.741 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2nc(C)no2)cc1 ZINC000857757501 636023329 /nfs/dbraw/zinc/02/33/29/636023329.db2.gz IOBOSMKIJQAESZ-UHFFFAOYSA-N 0 0 288.395 2.856 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccncc1 ZINC000115640372 636026545 /nfs/dbraw/zinc/02/65/45/636026545.db2.gz YCXFWBHYWOCIAN-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccco1 ZINC000115640484 636029531 /nfs/dbraw/zinc/02/95/31/636029531.db2.gz MYNYBMSCNQJXCT-UHFFFAOYSA-N 0 0 287.363 2.653 20 10 CFCDRN Cc1cc(O)c(CN2CCc3n[nH]cc3C2)c(Cl)c1 ZINC000857876337 636044535 /nfs/dbraw/zinc/04/45/35/636044535.db2.gz DBUHBGSLLDGMEJ-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN Cc1ccc(CCNC(=O)NCc2cc(C)ccc2O)o1 ZINC000858139338 636136438 /nfs/dbraw/zinc/13/64/38/636136438.db2.gz RKCTUKFSOMJEOZ-UHFFFAOYSA-N 0 0 288.347 2.644 20 10 CFCDRN Cc1occc1CNC(=O)NCc1cc(C)ccc1O ZINC000858156523 636142635 /nfs/dbraw/zinc/14/26/35/636142635.db2.gz JSMOARCHMZTQGD-UHFFFAOYSA-N 0 0 274.320 2.601 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCC2CCC2)c1 ZINC000858291548 636178149 /nfs/dbraw/zinc/17/81/49/636178149.db2.gz BZAOCCNULVAPBG-UHFFFAOYSA-N 0 0 262.353 2.690 20 10 CFCDRN C/C=C\C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858291222 636178353 /nfs/dbraw/zinc/17/83/53/636178353.db2.gz RDKFTLOQJSOCLP-IHWYPQMZSA-N 0 0 256.689 2.620 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CCCS2)c1 ZINC000858296359 636179706 /nfs/dbraw/zinc/17/97/06/636179706.db2.gz NDMJEHXIZVVXLI-HNNXBMFYSA-N 0 0 294.420 2.786 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC2(C3CC3)CC2)c1 ZINC000858314118 636185165 /nfs/dbraw/zinc/18/51/65/636185165.db2.gz RHVVCIMXYDZKAV-UHFFFAOYSA-N 0 0 274.364 2.690 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CC23CCCC3)c1 ZINC000858394526 636219781 /nfs/dbraw/zinc/21/97/81/636219781.db2.gz ROUIZZOWWODEDT-AWEZNQCLSA-N 0 0 274.364 2.833 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC(F)(F)C2)c1 ZINC000858415036 636227040 /nfs/dbraw/zinc/22/70/40/636227040.db2.gz RYIXLCXXSUXIQS-LLVKDONJSA-N 0 0 298.333 2.935 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1nccc2ccccc21 ZINC000158904890 650241130 /nfs/dbraw/zinc/24/11/30/650241130.db2.gz YHXUCMHRGQRWPJ-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(F)cc1Cl ZINC000158932158 650241651 /nfs/dbraw/zinc/24/16/51/650241651.db2.gz BBAJRHIFDWBVLG-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC=CC2)c1 ZINC000858463451 636253934 /nfs/dbraw/zinc/25/39/34/636253934.db2.gz OTZBUJIECPIIPU-NSHDSACASA-N 0 0 275.348 2.796 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858528763 636283347 /nfs/dbraw/zinc/28/33/47/636283347.db2.gz KDUWDLBDCPSCND-QSJCVTFJSA-N 0 0 294.351 2.763 20 10 CFCDRN O=C(CCCc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000159076470 650246537 /nfs/dbraw/zinc/24/65/37/650246537.db2.gz KLKYGEPCOPTRSX-UHFFFAOYSA-N 0 0 285.343 2.737 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccc(F)cc1[O-] ZINC000858583362 636301115 /nfs/dbraw/zinc/30/11/15/636301115.db2.gz ACNXMKOAEKHBPD-NQBHXWOUSA-N 0 0 253.317 2.749 20 10 CFCDRN CCCOC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000858914314 636381474 /nfs/dbraw/zinc/38/14/74/636381474.db2.gz UZNZUXNDUSOFII-UHFFFAOYSA-N 0 0 292.379 2.754 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(F)c2)cc1OC ZINC000859091526 636449532 /nfs/dbraw/zinc/44/95/32/636449532.db2.gz PRKJNXNDYBRGCH-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CCC1(CC)CN(Cc2cc(F)ccc2O)CC[S@@]1=O ZINC000187554860 650258322 /nfs/dbraw/zinc/25/83/22/650258322.db2.gz NXVSSCPEBNZHPM-FQEVSTJZSA-N 0 0 299.411 2.654 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cncc(OC)n1 ZINC000859219755 636509677 /nfs/dbraw/zinc/50/96/77/636509677.db2.gz HFIVLPMHROVLJC-UHFFFAOYSA-N 0 0 299.374 2.837 20 10 CFCDRN CC(C)(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000048795436 650279775 /nfs/dbraw/zinc/27/97/75/650279775.db2.gz RQKVZNLPUCPPSA-UHFFFAOYSA-N 0 0 292.448 2.902 20 10 CFCDRN Cn1cccc1C1=NNC(=NCc2ccccc2)SC1 ZINC000013012209 636752293 /nfs/dbraw/zinc/75/22/93/636752293.db2.gz ZOVDCCRQFJROIE-UHFFFAOYSA-N 0 0 284.388 2.622 20 10 CFCDRN CCC[C@@H](OCC)C(=O)N(C)Cc1ccccc1O ZINC000860048459 636767634 /nfs/dbraw/zinc/76/76/34/636767634.db2.gz VSOIPDPWRUFCQC-CQSZACIVSA-N 0 0 265.353 2.556 20 10 CFCDRN Cc1ccccc1CO[C@H](C)C(=O)NCc1ccccc1O ZINC000860233299 636834265 /nfs/dbraw/zinc/83/42/65/636834265.db2.gz JUDVHNXOLNMECD-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H](C)C(F)(F)F)c1O ZINC000860240946 636835588 /nfs/dbraw/zinc/83/55/88/636835588.db2.gz MRDCIGZYYQVAGI-QMMMGPOBSA-N 0 0 291.269 2.606 20 10 CFCDRN CCC[C@H](OCC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000860242134 636836026 /nfs/dbraw/zinc/83/60/26/636836026.db2.gz PFBLSUZCEVHWKV-NHYWBVRUSA-N 0 0 295.379 2.783 20 10 CFCDRN Cc1nc(NC(=O)NCc2cc(C)ccc2O)oc1C ZINC000860479176 636893679 /nfs/dbraw/zinc/89/36/79/636893679.db2.gz KHKIOPPANXLSRH-UHFFFAOYSA-N 0 0 275.308 2.627 20 10 CFCDRN COCCN(Cc1cc2c(cc1O)CCCC2)CC(F)F ZINC000160100338 650292579 /nfs/dbraw/zinc/29/25/79/650292579.db2.gz OCRAVVMDUJURHF-UHFFFAOYSA-N 0 0 299.361 2.985 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCO2)c1 ZINC000860714004 636953165 /nfs/dbraw/zinc/95/31/65/636953165.db2.gz ROQJWUQLUDUSID-UHFFFAOYSA-N 0 0 298.342 2.684 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(n2)CCC3)c1 ZINC000861167003 637099696 /nfs/dbraw/zinc/09/96/96/637099696.db2.gz NSLGXIATNFVRMQ-UHFFFAOYSA-N 0 0 297.358 2.906 20 10 CFCDRN C[C@H]1CC(F)(F)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000861639810 637222491 /nfs/dbraw/zinc/22/24/91/637222491.db2.gz HLMXPWGKTKTCSE-NSHDSACASA-N 0 0 297.349 2.641 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C12CC(C1)C2 ZINC000862002298 637263187 /nfs/dbraw/zinc/26/31/87/637263187.db2.gz PZYLPMRIUJLVSU-VNSJNIRKSA-N 0 0 286.419 2.908 20 10 CFCDRN CCC(CC)C(=O)NCc1ccc2cccnc2c1O ZINC000862028568 637266601 /nfs/dbraw/zinc/26/66/01/637266601.db2.gz DDIPCNAIUSKUFX-UHFFFAOYSA-N 0 0 272.348 2.993 20 10 CFCDRN CC[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862028736 637266885 /nfs/dbraw/zinc/26/68/85/637266885.db2.gz IXQJMEVOCQYPLC-SNVBAGLBSA-N 0 0 258.321 2.603 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC12CCC2 ZINC000862027338 637266896 /nfs/dbraw/zinc/26/68/96/637266896.db2.gz OCWUKNQZPSDTTC-ZDUSSCGKSA-N 0 0 282.343 2.747 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCOC[C@@H]2C2CC2)cc1F ZINC000862249120 637298523 /nfs/dbraw/zinc/29/85/23/637298523.db2.gz WYPGHKSRBMVTQP-MRXNPFEDSA-N 0 0 296.361 2.642 20 10 CFCDRN COc1cc(O)c(Cn2cnc3c2CCCC3)cc1OC ZINC000862432017 637376567 /nfs/dbraw/zinc/37/65/67/637376567.db2.gz ZMDWHBHROMUYPD-UHFFFAOYSA-N 0 0 288.347 2.533 20 10 CFCDRN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862465116 637392428 /nfs/dbraw/zinc/39/24/28/637392428.db2.gz DMFMMKQGPJGCQL-LLVKDONJSA-N 0 0 299.729 2.536 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000862480684 637397327 /nfs/dbraw/zinc/39/73/27/637397327.db2.gz HDJPVPAFWDLMRE-LBPRGKRZSA-N 0 0 271.788 2.932 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](CCF)C2)cc1Cl ZINC000862530155 637408990 /nfs/dbraw/zinc/40/89/90/637408990.db2.gz JOGHXKBXSREAHS-LBPRGKRZSA-N 0 0 287.762 2.914 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccc[nH]2)c1 ZINC000188552464 650336577 /nfs/dbraw/zinc/33/65/77/650336577.db2.gz JDIGEQMJQGLTFE-BWNDKRECSA-N 0 0 286.331 2.620 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c(O)c1O ZINC000862728390 637475811 /nfs/dbraw/zinc/47/58/11/637475811.db2.gz XORCENVHPCBAKX-MNOVXSKESA-N 0 0 293.388 2.516 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)SC)c1 ZINC000119058918 637476132 /nfs/dbraw/zinc/47/61/32/637476132.db2.gz AJCNYZVEXPDNLL-UWVGGRQHSA-N 0 0 298.408 2.513 20 10 CFCDRN CO[C@@H](C(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000862754273 637478501 /nfs/dbraw/zinc/47/85/01/637478501.db2.gz WNBLAHTWXNPSCQ-OAHLLOKOSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000862754970 637479598 /nfs/dbraw/zinc/47/95/98/637479598.db2.gz MMYBGEWKSODJBS-XQQFMLRXSA-N 0 0 259.349 2.753 20 10 CFCDRN CCCc1nc(C)c(C(=O)NCc2cc(C)ccc2O)o1 ZINC000862755033 637479721 /nfs/dbraw/zinc/47/97/21/637479721.db2.gz BBUHNYPXSLLDTJ-UHFFFAOYSA-N 0 0 288.347 2.880 20 10 CFCDRN CC[C@@H](CC(F)F)C(=O)NCc1cc(C)ccc1O ZINC000862754797 637479976 /nfs/dbraw/zinc/47/99/76/637479976.db2.gz KRGXRDGTPFDAGA-JTQLQIEISA-N 0 0 271.307 2.998 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2nc3c(s2)CCC3)c1 ZINC000862755061 637479980 /nfs/dbraw/zinc/47/99/80/637479980.db2.gz NUOMRTPWDHGEAE-UHFFFAOYSA-N 0 0 288.372 2.576 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000862755395 637480026 /nfs/dbraw/zinc/48/00/26/637480026.db2.gz RZXWEQRDPPMNRC-LSDHHAIUSA-N 0 0 282.343 2.516 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@]2(C)C(C)C)c1 ZINC000862757446 637480491 /nfs/dbraw/zinc/48/04/91/637480491.db2.gz UQZFKOFAQSRAAP-CZUORRHYSA-N 0 0 261.365 2.999 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CSCCS2)c1 ZINC000862757824 637480547 /nfs/dbraw/zinc/48/05/47/637480547.db2.gz FMLOIZXJVFTYDS-LBPRGKRZSA-N 0 0 297.445 2.556 20 10 CFCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cc(C)ccc1O ZINC000862756419 637480841 /nfs/dbraw/zinc/48/08/41/637480841.db2.gz XUPLKFKGFDGQQJ-SWLSCSKDSA-N 0 0 293.407 2.894 20 10 CFCDRN Cc1sccc1CC(=O)NCc1cc(C)ccc1O ZINC000862757319 637481423 /nfs/dbraw/zinc/48/14/23/637481423.db2.gz OYZBYDXXQFGZOZ-UHFFFAOYSA-N 0 0 275.373 2.929 20 10 CFCDRN COc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862759301 637482277 /nfs/dbraw/zinc/48/22/77/637482277.db2.gz CECFBVGWYSUIRF-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCOc3ccccc32)c1 ZINC000862759343 637482335 /nfs/dbraw/zinc/48/23/35/637482335.db2.gz CESVUTGNTZBEHZ-HNNXBMFYSA-N 0 0 297.354 2.883 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CC[C@@H]2CCCCO2)c1 ZINC000862759733 637482518 /nfs/dbraw/zinc/48/25/18/637482518.db2.gz HPNVVAGUCULZQB-AWEZNQCLSA-N 0 0 277.364 2.666 20 10 CFCDRN CS[C@@H](C)CCC(=O)NCc1cc(C)ccc1O ZINC000862758377 637482684 /nfs/dbraw/zinc/48/26/84/637482684.db2.gz WRTGBFSYTGREOV-NSHDSACASA-N 0 0 267.394 2.849 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cnc(C3CC3)s2)c1 ZINC000862760907 637483577 /nfs/dbraw/zinc/48/35/77/637483577.db2.gz XYTQVXAFVSYTGY-UHFFFAOYSA-N 0 0 288.372 2.965 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CC=CCC1 ZINC000862949227 637525956 /nfs/dbraw/zinc/52/59/56/637525956.db2.gz XNCXERBXUVFQGB-XOVSCCBYSA-N 0 0 287.359 2.974 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccsc1)C1=CC(=O)CS1 ZINC000863008859 637536956 /nfs/dbraw/zinc/53/69/56/637536956.db2.gz DYKJHBHMNOLKBT-VHSXEESVSA-N 0 0 265.359 2.801 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccnc(F)c2C)SC1=S ZINC000863175775 637578945 /nfs/dbraw/zinc/57/89/45/637578945.db2.gz SHKCFQYYGYMDKT-TWGQIWQCSA-N 0 0 282.365 2.750 20 10 CFCDRN CN(C)c1ccc(CSc2nccs2)cn1 ZINC000863294945 637619782 /nfs/dbraw/zinc/61/97/82/637619782.db2.gz IBHBFEOZUBVOAF-UHFFFAOYSA-N 0 0 251.380 2.896 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2CCO[C@@H](C)C2)s1 ZINC000863339681 637630268 /nfs/dbraw/zinc/63/02/68/637630268.db2.gz FGBNGFKVXHHTKN-JGVFFNPUSA-N 0 0 273.379 2.589 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)Cc1ccccc1O ZINC000188979619 650353734 /nfs/dbraw/zinc/35/37/34/650353734.db2.gz NIKSQHGSYSQTOX-BQYQJAHWSA-N 0 0 288.372 2.829 20 10 CFCDRN C[C@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2[O-])C[NH2+]1 ZINC000863484992 637676058 /nfs/dbraw/zinc/67/60/58/637676058.db2.gz RCZZVQQZYNHMFF-KWQFWETISA-N 0 0 289.206 2.929 20 10 CFCDRN C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000863487467 637676231 /nfs/dbraw/zinc/67/62/31/637676231.db2.gz PXENSLHZAWBPPF-WRWORJQWSA-N 0 0 275.179 2.539 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000863655409 637728099 /nfs/dbraw/zinc/72/80/99/637728099.db2.gz DJHCVACRFCOUKM-JNIYBQFBSA-N 0 0 287.363 2.770 20 10 CFCDRN CO[C@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000189108565 650361763 /nfs/dbraw/zinc/36/17/63/650361763.db2.gz KAVKCYFSOYDOTD-GFCCVEGCSA-N 0 0 292.404 2.920 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC12CC2 ZINC000863776244 637773833 /nfs/dbraw/zinc/77/38/33/637773833.db2.gz VBOJDDQQZBNUJG-DIECRNLCSA-N 0 0 287.359 2.808 20 10 CFCDRN C/C=C\C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000863817378 637788567 /nfs/dbraw/zinc/78/85/67/637788567.db2.gz KPPJJFKGTBMMAZ-ZZKXABKFSA-N 0 0 275.348 2.916 20 10 CFCDRN CCOCCCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000864573888 638031407 /nfs/dbraw/zinc/03/14/07/638031407.db2.gz TXGFGTIPIJPSKD-UHFFFAOYSA-N 0 0 292.423 2.966 20 10 CFCDRN CC/C=C(/F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864635379 638055163 /nfs/dbraw/zinc/05/51/63/638055163.db2.gz YXNNGWDXUHUKQE-MKMNVTDBSA-N 0 0 264.344 2.974 20 10 CFCDRN Cc1conc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000864786530 638091599 /nfs/dbraw/zinc/09/15/99/638091599.db2.gz UNTXYJITEZEQNY-UHFFFAOYSA-N 0 0 299.374 2.854 20 10 CFCDRN C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000120622895 638416739 /nfs/dbraw/zinc/41/67/39/638416739.db2.gz AJAOPVQSMCKAOO-BETUJISGSA-N 0 0 275.396 2.835 20 10 CFCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000865745066 638548514 /nfs/dbraw/zinc/54/85/14/638548514.db2.gz DRXZNLUEDACGLM-AWEZNQCLSA-N 0 0 294.351 2.738 20 10 CFCDRN Oc1cccc2c1CN(c1ncnc3c1CCCC3)C2 ZINC000866117232 638745452 /nfs/dbraw/zinc/74/54/52/638745452.db2.gz IXRHPSXGBGXDKF-UHFFFAOYSA-N 0 0 267.332 2.581 20 10 CFCDRN Oc1cccc2c1CN(c1ccnc(C3CC3)n1)C2 ZINC000866118514 638746839 /nfs/dbraw/zinc/74/68/39/638746839.db2.gz CBGUQZNACBHCBQ-UHFFFAOYSA-N 0 0 253.305 2.580 20 10 CFCDRN CCc1nc(C)cc(N2Cc3cccc(O)c3C2)n1 ZINC000866118295 638746921 /nfs/dbraw/zinc/74/69/21/638746921.db2.gz YZKLQKONBUGZFM-UHFFFAOYSA-N 0 0 255.321 2.573 20 10 CFCDRN CCc1cc(N[C@@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236714 638776992 /nfs/dbraw/zinc/77/69/92/638776992.db2.gz CJJGJTVQSHOIDW-JTQLQIEISA-N 0 0 283.335 2.565 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)o2)c1 ZINC000866477943 638827518 /nfs/dbraw/zinc/82/75/18/638827518.db2.gz GHYPAMPXAZZEFQ-LLVKDONJSA-N 0 0 289.331 2.931 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000866598973 638851699 /nfs/dbraw/zinc/85/16/99/638851699.db2.gz WHAOLORUCOSRNV-GZBFAFLISA-N 0 0 291.391 2.944 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000866612657 638854354 /nfs/dbraw/zinc/85/43/54/638854354.db2.gz AYXNIGJGPLONMX-BDAKNGLRSA-N 0 0 281.306 2.816 20 10 CFCDRN Cc1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000866756938 638873967 /nfs/dbraw/zinc/87/39/67/638873967.db2.gz DJDASCCPOPAHOU-UHFFFAOYSA-N 0 0 291.372 2.749 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000866767779 638874496 /nfs/dbraw/zinc/87/44/96/638874496.db2.gz XKVBYAZFCUXOTQ-LRDDRELGSA-N 0 0 275.348 2.597 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)OCCC(F)(F)F)c1 ZINC000867558940 638884885 /nfs/dbraw/zinc/88/48/85/638884885.db2.gz DHDMHABWWFEGPF-UHFFFAOYSA-N 0 0 277.242 2.879 20 10 CFCDRN C[C@H](NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1O ZINC000867836220 638900590 /nfs/dbraw/zinc/90/05/90/638900590.db2.gz JVSDUMAAKFPFLH-OXIQGZBJSA-N 0 0 295.404 2.561 20 10 CFCDRN CC(C)OCCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000867982997 638910853 /nfs/dbraw/zinc/91/08/53/638910853.db2.gz ZEQHDZAYWNNTNY-LBPRGKRZSA-N 0 0 280.368 2.568 20 10 CFCDRN Cc1ccc(CCNC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000868051464 638918981 /nfs/dbraw/zinc/91/89/81/638918981.db2.gz FVCFPZSQCDHDLE-LBPRGKRZSA-N 0 0 288.347 2.897 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)c1ccccc1O ZINC000868220520 638931018 /nfs/dbraw/zinc/93/10/18/638931018.db2.gz IQHNOCSUQCZEFP-MDZLAQPJSA-N 0 0 262.353 2.941 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000868220521 638931129 /nfs/dbraw/zinc/93/11/29/638931129.db2.gz IQHNOCSUQCZEFP-NQBHXWOUSA-N 0 0 262.353 2.941 20 10 CFCDRN CCC(CC)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122099176 638935969 /nfs/dbraw/zinc/93/59/69/638935969.db2.gz FJOPCQILSUVXIQ-UHFFFAOYSA-N 0 0 265.353 2.583 20 10 CFCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000868441618 638945932 /nfs/dbraw/zinc/94/59/32/638945932.db2.gz YCGQTPJMTFUXTB-OSAQELSMSA-N 0 0 292.379 2.710 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868476327 638948432 /nfs/dbraw/zinc/94/84/32/638948432.db2.gz LABSIHOFUMINKM-LALPHHSUSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCCOC1)c1ccccc1O ZINC000868486795 638949441 /nfs/dbraw/zinc/94/94/41/638949441.db2.gz JTYNYRBYDVDZCJ-XQQFMLRXSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000868525686 638953055 /nfs/dbraw/zinc/95/30/55/638953055.db2.gz WKUANRGGEBGFRS-GRYCIOLGSA-N 0 0 262.353 2.941 20 10 CFCDRN CC(C)SCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868609698 638961374 /nfs/dbraw/zinc/96/13/74/638961374.db2.gz YFSGSTSRDKRAEG-NSHDSACASA-N 0 0 282.409 2.894 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CCC1(C)C)c1ccccc1O ZINC000868610128 638961622 /nfs/dbraw/zinc/96/16/22/638961622.db2.gz BPMLRYDOUNTMMF-GWCFXTLKSA-N 0 0 262.353 2.941 20 10 CFCDRN C[C@H](NC(=O)NCC(C)(C)C(C)(C)O)c1ccccc1O ZINC000868685777 638968770 /nfs/dbraw/zinc/96/87/70/638968770.db2.gz YJYGFJKZSCSOLY-NSHDSACASA-N 0 0 294.395 2.550 20 10 CFCDRN 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CFCDRN Cc1ncc([C@@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000868936053 638993052 /nfs/dbraw/zinc/99/30/52/638993052.db2.gz WXYJJGNKRQXUID-SECBINFHSA-N 0 0 291.376 2.718 20 10 CFCDRN Cc1ccc(CNC(=O)NCc2cc(C)ccc2O)o1 ZINC000868969398 638996890 /nfs/dbraw/zinc/99/68/90/638996890.db2.gz KQHFFVULJDUGMJ-UHFFFAOYSA-N 0 0 274.320 2.601 20 10 CFCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000868971129 638997691 /nfs/dbraw/zinc/99/76/91/638997691.db2.gz YVLXRSAVXIHOHY-NSHDSACASA-N 0 0 274.320 2.854 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2[nH]ccc2c1 ZINC000122402309 639025228 /nfs/dbraw/zinc/02/52/28/639025228.db2.gz IZWRISJHQCSVJO-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC12CC2 ZINC000869749115 639379926 /nfs/dbraw/zinc/37/99/26/639379926.db2.gz QDDCFNVLFBNIAA-YVARQFDVSA-N 0 0 273.332 2.560 20 10 CFCDRN CCOCCCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000079389890 650587196 /nfs/dbraw/zinc/58/71/96/650587196.db2.gz ORUMSDSZOOBKCQ-UHFFFAOYSA-N 0 0 292.423 2.966 20 10 CFCDRN 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/nfs/dbraw/zinc/11/19/72/643111972.db2.gz PRBXBXSZIGKTTI-UHFFFAOYSA-N 0 0 276.317 2.684 20 10 CFCDRN Cc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000126320025 643117530 /nfs/dbraw/zinc/11/75/30/643117530.db2.gz RKGXBHQSAKWNPY-NSHDSACASA-N 0 0 271.316 2.897 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H](CO)c2ccccc2)ccc(F)c1F ZINC000877073774 643136208 /nfs/dbraw/zinc/13/62/08/643136208.db2.gz SAHJKLBAIIQRFC-CYBMUJFWSA-N 0 0 293.313 2.536 20 10 CFCDRN CN(C(=O)C1([C@H]2CCCCO2)CCC1)c1ccc(N)cc1 ZINC000877074379 643136550 /nfs/dbraw/zinc/13/65/50/643136550.db2.gz IIEKTXFCKOPJTR-OAHLLOKOSA-N 0 0 288.391 2.971 20 10 CFCDRN Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877075389 643137345 /nfs/dbraw/zinc/13/73/45/643137345.db2.gz NHLLVYDVVRWVJZ-NSHDSACASA-N 0 0 299.342 2.864 20 10 CFCDRN Cc1nc(CC(=O)N(C)c2ccc(N)cc2)c(C)s1 ZINC000877075844 643138297 /nfs/dbraw/zinc/13/82/97/643138297.db2.gz JNFTWXOYLBDCBJ-UHFFFAOYSA-N 0 0 275.377 2.548 20 10 CFCDRN CN(C(=O)c1coc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000877077231 643138500 /nfs/dbraw/zinc/13/85/00/643138500.db2.gz ZSPAFBCTRKQNEJ-UHFFFAOYSA-N 0 0 273.336 2.831 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000877075925 643138527 /nfs/dbraw/zinc/13/85/27/643138527.db2.gz SSJDPQYSLQMGRY-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN Cc1nc(CCC(=O)N(C)c2ccc(N)cc2)cs1 ZINC000877077611 643139413 /nfs/dbraw/zinc/13/94/13/643139413.db2.gz ORGSLVPZUQEWQN-UHFFFAOYSA-N 0 0 275.377 2.629 20 10 CFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C(C)(C)C ZINC000877080905 643140667 /nfs/dbraw/zinc/14/06/67/643140667.db2.gz RGWQRNFYZOWXRJ-UHFFFAOYSA-N 0 0 286.379 2.805 20 10 CFCDRN [O-]c1c(C[NH2+]Cc2ccc3c(c2)COC3)ccc(F)c1F ZINC000877097438 643151901 /nfs/dbraw/zinc/15/19/01/643151901.db2.gz FLAJKUVZBAVDOJ-UHFFFAOYSA-N 0 0 291.297 2.990 20 10 CFCDRN COCCOc1ncccc1NCc1ccc(C)cc1O ZINC000877114902 643157555 /nfs/dbraw/zinc/15/75/55/643157555.db2.gz BICVXDFIMZQZMU-UHFFFAOYSA-N 0 0 288.347 2.733 20 10 CFCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877139694 643174101 /nfs/dbraw/zinc/17/41/01/643174101.db2.gz WSVKKCCUQDFDMR-DGCLKSJQSA-N 0 0 299.361 2.899 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000877167107 643184621 /nfs/dbraw/zinc/18/46/21/643184621.db2.gz NCVBFAMRPFNEPS-MFKMUULPSA-N 0 0 285.334 2.653 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000126383415 643187645 /nfs/dbraw/zinc/18/76/45/643187645.db2.gz QEVMWENRBYQDDD-SNVBAGLBSA-N 0 0 263.337 2.796 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000126390546 643190502 /nfs/dbraw/zinc/19/05/02/643190502.db2.gz ILHJGHHMJKKBJE-MRVPVSSYSA-N 0 0 263.318 2.650 20 10 CFCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)sn1 ZINC000877179472 643191761 /nfs/dbraw/zinc/19/17/61/643191761.db2.gz BXIVRDREUWKQBB-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN COc1ccc(N(C)CCC[C@@H]2CCO2)cc1F ZINC000877181067 643192438 /nfs/dbraw/zinc/19/24/38/643192438.db2.gz HBLRBTHNECRGOA-GFCCVEGCSA-N 0 0 253.317 2.840 20 10 CFCDRN C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877309129 643230651 /nfs/dbraw/zinc/23/06/51/643230651.db2.gz HCKIFWJVPQWUHE-GHMZBOCLSA-N 0 0 285.334 2.965 20 10 CFCDRN CCC[C@@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC000877342316 643242963 /nfs/dbraw/zinc/24/29/63/643242963.db2.gz LUBRSVQMNZECFV-ZDUSSCGKSA-N 0 0 267.369 2.955 20 10 CFCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877519341 643324200 /nfs/dbraw/zinc/32/42/00/643324200.db2.gz XOXOIYOIDYJWJE-AAEUAGOBSA-N 0 0 296.361 2.729 20 10 CFCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877521670 643327065 /nfs/dbraw/zinc/32/70/65/643327065.db2.gz GVTPBWOZGYLZOP-FZMZJTMJSA-N 0 0 296.361 2.729 20 10 CFCDRN COc1cccc(CNCc2nc(Cl)cs2)c1O ZINC000877525666 643329423 /nfs/dbraw/zinc/32/94/23/643329423.db2.gz KSBPEUYJSHAYSY-UHFFFAOYSA-N 0 0 284.768 2.801 20 10 CFCDRN CCOC(=O)c1cc(NCc2c(C)cccc2O)cn1C ZINC000877528792 643331965 /nfs/dbraw/zinc/33/19/65/643331965.db2.gz KPGCCLDMQJEIPX-UHFFFAOYSA-N 0 0 288.347 2.828 20 10 CFCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877573650 643371326 /nfs/dbraw/zinc/37/13/26/643371326.db2.gz TWKGALVMPFRIKN-LLVKDONJSA-N 0 0 285.334 2.653 20 10 CFCDRN CCCc1ncc(C[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000877573911 643372124 /nfs/dbraw/zinc/37/21/24/643372124.db2.gz XKYJZONDNFKLTO-UHFFFAOYSA-N 0 0 282.290 2.901 20 10 CFCDRN COCCC1(C)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877581949 643377895 /nfs/dbraw/zinc/37/78/95/643377895.db2.gz AWBOQNONWQXEPR-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN CCC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCN(C)C1 ZINC000877604604 643392288 /nfs/dbraw/zinc/39/22/88/643392288.db2.gz DBFQOHJWONIWET-LBPRGKRZSA-N 0 0 284.350 2.587 20 10 CFCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877622159 643408964 /nfs/dbraw/zinc/40/89/64/643408964.db2.gz HLWBWMVVUGMAFQ-LBPRGKRZSA-N 0 0 285.334 2.965 20 10 CFCDRN Cc1ccncc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877625180 643410294 /nfs/dbraw/zinc/41/02/94/643410294.db2.gz WMAKSFDZSJMWKC-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN Cc1ccc(CN2CCO[C@@](C)(C(F)F)C2)c(O)c1 ZINC000877644644 643428500 /nfs/dbraw/zinc/42/85/00/643428500.db2.gz YKLKVCOKXPMNIV-CQSZACIVSA-N 0 0 271.307 2.557 20 10 CFCDRN Cc1ccc(CN2Cc3ccc(O)cc3C2)c(O)c1 ZINC000877651561 643431956 /nfs/dbraw/zinc/43/19/56/643431956.db2.gz YIAJNJKEXJKIMU-UHFFFAOYSA-N 0 0 255.317 2.922 20 10 CFCDRN CCC[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877667879 643444198 /nfs/dbraw/zinc/44/41/98/643444198.db2.gz RRFNVBJWEGXWPU-SNVBAGLBSA-N 0 0 275.751 2.825 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877681870 643451424 /nfs/dbraw/zinc/45/14/24/643451424.db2.gz KUYIFDQSNCWKOM-LXPNIQKUSA-N 0 0 297.757 2.698 20 10 CFCDRN COCC1(C2CC2)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877686508 643455421 /nfs/dbraw/zinc/45/54/21/643455421.db2.gz OVRFPMBQRJCBKU-UHFFFAOYSA-N 0 0 283.318 2.529 20 10 CFCDRN CC(C)Cn1nccc1CN1Cc2cccc(O)c2C1 ZINC000877702774 643466918 /nfs/dbraw/zinc/46/69/18/643466918.db2.gz HHSQLYRDHQREPB-UHFFFAOYSA-N 0 0 271.364 2.761 20 10 CFCDRN CC(C)(C)n1cc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877703514 643469728 /nfs/dbraw/zinc/46/97/28/643469728.db2.gz MRUWPVCVZOQRFH-UHFFFAOYSA-N 0 0 271.364 2.860 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCC23CCOCC3)ccc(F)c1F ZINC000877728665 643489362 /nfs/dbraw/zinc/48/93/62/643489362.db2.gz RNALZPRAGQIQJO-LBPRGKRZSA-N 0 0 297.345 2.967 20 10 CFCDRN C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1ccccc1O ZINC000878560106 643941692 /nfs/dbraw/zinc/94/16/92/643941692.db2.gz ZHFZVOWLYPUUAB-MAUKXSAKSA-N 0 0 281.355 2.986 20 10 CFCDRN CC1(C)CO[C@H](CCC(=O)NCc2ccccc2O)C1 ZINC000878559635 643941747 /nfs/dbraw/zinc/94/17/47/643941747.db2.gz MRSDISAHVCYBDH-CYBMUJFWSA-N 0 0 277.364 2.604 20 10 CFCDRN NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000127232118 643951835 /nfs/dbraw/zinc/95/18/35/643951835.db2.gz JCKAYUOGZWFMMX-UHFFFAOYSA-N 0 0 276.723 2.757 20 10 CFCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)c(C)cn1 ZINC000879074406 644135086 /nfs/dbraw/zinc/13/50/86/644135086.db2.gz RMBISFFIHUVZHI-LBPRGKRZSA-N 0 0 285.347 2.709 20 10 CFCDRN CCOc1ccc(N(CC[S@](C)=O)CC2CC2)cc1 ZINC000879116885 644148851 /nfs/dbraw/zinc/14/88/51/644148851.db2.gz CPRNVHRGFZPQMO-IBGZPJMESA-N 0 0 281.421 2.680 20 10 CFCDRN CC(C)Cc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648087 644361319 /nfs/dbraw/zinc/36/13/19/644361319.db2.gz YBDXPOSANHKBIG-LLVKDONJSA-N 0 0 275.352 2.825 20 10 CFCDRN CCCCc1nc(CN[C@H](C)c2ccccc2O)no1 ZINC000879649121 644362536 /nfs/dbraw/zinc/36/25/36/644362536.db2.gz MDPYDHJMHPKAEF-LLVKDONJSA-N 0 0 275.352 2.969 20 10 CFCDRN CCCC[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000879648669 644363163 /nfs/dbraw/zinc/36/31/63/644363163.db2.gz YRBIYCKTSMOBMB-DGCLKSJQSA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@@H](NCc1nc(C2CCC2)no1)c1ccccc1O ZINC000879649655 644363480 /nfs/dbraw/zinc/36/34/80/644363480.db2.gz ATSRHACSAFMFIQ-SNVBAGLBSA-N 0 0 273.336 2.894 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(F)F ZINC000879757812 644414139 /nfs/dbraw/zinc/41/41/39/644414139.db2.gz GQEIZTXYDBQUJX-UHFFFAOYSA-N 0 0 286.322 2.969 20 10 CFCDRN Cc1cc(C[N@@H+]2CC=C[C@@H]2CO)ccc1N1CCCCC1 ZINC000880493022 644735097 /nfs/dbraw/zinc/73/50/97/644735097.db2.gz XUJIIWSUJJZEJG-QGZVFWFLSA-N 0 0 286.419 2.718 20 10 CFCDRN C[C@@H](NC(=O)N[C@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000881280763 644942607 /nfs/dbraw/zinc/94/26/07/644942607.db2.gz RSMWJKPOQHNFOW-NXEZZACHSA-N 0 0 285.338 2.766 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(F)F ZINC000881282602 644942993 /nfs/dbraw/zinc/94/29/93/644942993.db2.gz KPGVUVLTJSIWHK-SNVBAGLBSA-N 0 0 286.322 2.967 20 10 CFCDRN Cc1cncnc1NCCCSc1nccs1 ZINC000881981701 645167030 /nfs/dbraw/zinc/16/70/30/645167030.db2.gz KDNXWDRUFWAGQT-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC/C=C/c1ccccc1 ZINC000212112010 645226955 /nfs/dbraw/zinc/22/69/55/645226955.db2.gz LLQPRRPYPKDECU-DHIFYFQBSA-N 0 0 295.338 2.941 20 10 CFCDRN Cc1ncnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000882171623 645228943 /nfs/dbraw/zinc/22/89/43/645228943.db2.gz XVUKIEKNHACKTQ-SECBINFHSA-N 0 0 273.336 2.548 20 10 CFCDRN COc1ccc(CNc2cc(C3CC3)ncn2)c(O)c1 ZINC000882292932 645266474 /nfs/dbraw/zinc/26/64/74/645266474.db2.gz MNXOJOAZGZFCAK-UHFFFAOYSA-N 0 0 271.320 2.680 20 10 CFCDRN Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882993899 645550658 /nfs/dbraw/zinc/55/06/58/645550658.db2.gz LAILVWAYTOSKQH-HNNXBMFYSA-N 0 0 293.313 2.802 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]2CCO[C@@H]21 ZINC000883016724 645564378 /nfs/dbraw/zinc/56/43/78/645564378.db2.gz JOEUPVCETZGGDV-HONMWMINSA-N 0 0 283.318 2.574 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCNc1ccccn1 ZINC000883031268 645572628 /nfs/dbraw/zinc/57/26/28/645572628.db2.gz PLUHHLNXAWJQDA-UHFFFAOYSA-N 0 0 293.317 2.657 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOCC1CCC1 ZINC000883088677 645600477 /nfs/dbraw/zinc/60/04/77/645600477.db2.gz NMGKLVXYFYMZFY-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000131046052 645616759 /nfs/dbraw/zinc/61/67/59/645616759.db2.gz ZJSOWFSGTRRRHO-GFCCVEGCSA-N 0 0 295.452 2.693 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2nccn21 ZINC000883135899 645620933 /nfs/dbraw/zinc/62/09/33/645620933.db2.gz PLJSQQOMDXILIR-PELKAZGASA-N 0 0 279.290 2.663 20 10 CFCDRN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000883146334 645624849 /nfs/dbraw/zinc/62/48/49/645624849.db2.gz IZLJRLVWUXHHNS-VFZGTOFNSA-N 0 0 285.334 2.964 20 10 CFCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883157831 645631819 /nfs/dbraw/zinc/63/18/19/645631819.db2.gz MARXVFBKZZORSX-RNCFNFMXSA-N 0 0 273.323 2.557 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000883244955 645693336 /nfs/dbraw/zinc/69/33/36/645693336.db2.gz AEAIYUHIKCCUCQ-RYUDHWBXSA-N 0 0 275.348 2.796 20 10 CFCDRN C=C/C=C/CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883268900 645711340 /nfs/dbraw/zinc/71/13/40/645711340.db2.gz VTBIJSWAUFJJLP-FYJFLYSWSA-N 0 0 275.348 2.962 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2=C(C)OCCC2)c1 ZINC000131499155 645737691 /nfs/dbraw/zinc/73/76/91/645737691.db2.gz KDZIHHBCFSDUQB-JTQLQIEISA-N 0 0 291.347 2.662 20 10 CFCDRN O=C(NCCCSc1nccs1)NC[C@H]1C=CCC1 ZINC000883516672 645868674 /nfs/dbraw/zinc/86/86/74/645868674.db2.gz DEHMIRIOSHBHLB-NSHDSACASA-N 0 0 297.449 2.891 20 10 CFCDRN C[C@@H](NC(=O)N1CCC(F)CC1)c1ccc(N(C)C)cc1 ZINC000883582296 645898304 /nfs/dbraw/zinc/89/83/04/645898304.db2.gz QVKAUTCPWPLPLN-GFCCVEGCSA-N 0 0 293.386 2.957 20 10 CFCDRN CCN(Cc1cc(OC)ccc1O)CC(F)(F)F ZINC000132519949 645924488 /nfs/dbraw/zinc/92/44/88/645924488.db2.gz CEYWQBOIQUUTGG-UHFFFAOYSA-N 0 0 263.259 2.785 20 10 CFCDRN C=C/C=C/CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000883826040 645988505 /nfs/dbraw/zinc/98/85/05/645988505.db2.gz ZAHLNOFOHDYKNK-BTDICHCPSA-N 0 0 290.363 2.893 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1F ZINC000133768691 646226309 /nfs/dbraw/zinc/22/63/09/646226309.db2.gz QIQMWMAMHLTIQD-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000133782042 646227456 /nfs/dbraw/zinc/22/74/56/646227456.db2.gz OFNPSMDAIMIGDT-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN CC[S@@](=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134735171 646380273 /nfs/dbraw/zinc/38/02/73/646380273.db2.gz YLEAVLGEFXGSKR-KRWDZBQOSA-N 0 0 296.219 2.557 20 10 CFCDRN C[C@@H]([NH2+]CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000134904139 646402111 /nfs/dbraw/zinc/40/21/11/646402111.db2.gz XEVQBPMKMRITHZ-SSDOTTSWSA-N 0 0 264.152 2.732 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000134979408 646422885 /nfs/dbraw/zinc/42/28/85/646422885.db2.gz QSQJPRPZDRJION-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)OCCOC)cc1F ZINC000885004399 646580196 /nfs/dbraw/zinc/58/01/96/646580196.db2.gz CAMLEBJKXHANRJ-UHFFFAOYSA-N 0 0 298.358 2.545 20 10 CFCDRN CCC(=CC(=O)NCc1cc(OC)ccc1O)CC ZINC000136279719 646758158 /nfs/dbraw/zinc/75/81/58/646758158.db2.gz PKXVYCDHKYXMRD-UHFFFAOYSA-N 0 0 263.337 2.763 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000886017227 646819085 /nfs/dbraw/zinc/81/90/85/646819085.db2.gz VASFYAJZOKYHBW-XJKSGUPXSA-N 0 0 261.365 2.948 20 10 CFCDRN Cc1[nH]nc(NCc2c(O)cccc2Cl)c1C ZINC000886196427 646915534 /nfs/dbraw/zinc/91/55/34/646915534.db2.gz RYUDITCBKGJBBW-UHFFFAOYSA-N 0 0 251.717 2.998 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886500335 647020875 /nfs/dbraw/zinc/02/08/75/647020875.db2.gz QRTLTWOTQUONJT-LLVKDONJSA-N 0 0 277.343 2.846 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886500050 647021342 /nfs/dbraw/zinc/02/13/42/647021342.db2.gz DEJBNRPVJYCKOF-GHMZBOCLSA-N 0 0 253.317 2.751 20 10 CFCDRN COc1ncccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886501425 647021369 /nfs/dbraw/zinc/02/13/69/647021369.db2.gz KATWWCHFNLZZGJ-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN COCCOCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886518602 647025502 /nfs/dbraw/zinc/02/55/02/647025502.db2.gz ABEDPHOMRBAFLV-GFCCVEGCSA-N 0 0 285.359 2.625 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1c([O-])cccc1F ZINC000886517826 647025922 /nfs/dbraw/zinc/02/59/22/647025922.db2.gz SCICWLVSXVTZSR-WDEREUQCSA-N 0 0 275.327 2.603 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526645 647030209 /nfs/dbraw/zinc/03/02/09/647030209.db2.gz PGSSQVSZZUIBPR-IINYFYTJSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1c([O-])cccc1F ZINC000886537007 647035671 /nfs/dbraw/zinc/03/56/71/647035671.db2.gz SALOSUZAQVDZKD-IAQYHMDHSA-N 0 0 298.427 2.619 20 10 CFCDRN C[C@H]([NH2+]CCc1cscn1)c1c([O-])cccc1F ZINC000886541057 647037747 /nfs/dbraw/zinc/03/77/47/647037747.db2.gz POAOBRANABXHGH-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1c([O-])cccc1F ZINC000886540876 647037904 /nfs/dbraw/zinc/03/79/04/647037904.db2.gz MFJHYUZZPCPBAK-NEPJUHHUSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886549427 647043998 /nfs/dbraw/zinc/04/39/98/647043998.db2.gz HVBDGFVTMBEYHF-WDEREUQCSA-N 0 0 294.370 2.581 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1c([O-])cccc1F ZINC000886552981 647044286 /nfs/dbraw/zinc/04/42/86/647044286.db2.gz ADYKQSDEPPKWMC-MNOVXSKESA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1c([O-])cccc1F ZINC000886594256 647058919 /nfs/dbraw/zinc/05/89/19/647058919.db2.gz IVMMXYMRUBVRIE-GMXVVIOVSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1c([O-])cccc1F ZINC000886597170 647060133 /nfs/dbraw/zinc/06/01/33/647060133.db2.gz YETBGYDUWWVKHE-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1c([O-])cccc1F ZINC000886605237 647063669 /nfs/dbraw/zinc/06/36/69/647063669.db2.gz MDMZXCFJLRHTNK-JQWIXIFHSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]CC1=CCCOC1)c1c([O-])cccc1F ZINC000886610555 647066203 /nfs/dbraw/zinc/06/62/03/647066203.db2.gz DZCDEGYQWOHQIV-JTQLQIEISA-N 0 0 251.301 2.529 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1c([O-])cccc1F ZINC000886615280 647068984 /nfs/dbraw/zinc/06/89/84/647068984.db2.gz CEDJSUUHSMNZLJ-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886616188 647069246 /nfs/dbraw/zinc/06/92/46/647069246.db2.gz WNCHYUSJJJJGKF-JOYOIKCWSA-N 0 0 255.333 2.731 20 10 CFCDRN CC(C)c1nnc(CN[C@@H](C)c2c(O)cccc2F)[nH]1 ZINC000886617270 647069788 /nfs/dbraw/zinc/06/97/88/647069788.db2.gz JCXBAWIEHQJMCS-VIFPVBQESA-N 0 0 278.331 2.624 20 10 CFCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886617798 647071074 /nfs/dbraw/zinc/07/10/74/647071074.db2.gz YXPZQMQKAIRHDN-MNOVXSKESA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@](C)(C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886619221 647071301 /nfs/dbraw/zinc/07/13/01/647071301.db2.gz XBGSHWGNPLPQQM-IINYFYTJSA-N 0 0 255.333 2.997 20 10 CFCDRN CCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)COC1 ZINC000886620873 647072717 /nfs/dbraw/zinc/07/27/17/647072717.db2.gz VRTZGHPYXVGNPY-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886620960 647072769 /nfs/dbraw/zinc/07/27/69/647072769.db2.gz XPRDBAVWPMDSMK-FCHSOHFDSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)c1ccn(C)n1 ZINC000886625079 647074421 /nfs/dbraw/zinc/07/44/21/647074421.db2.gz IETOLCHOIOEBRS-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886625708 647075240 /nfs/dbraw/zinc/07/52/40/647075240.db2.gz XYAWUWMBPPENHN-XWIASGKRSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1c([O-])cccc1F ZINC000886627199 647076317 /nfs/dbraw/zinc/07/63/17/647076317.db2.gz VURIYFVYHIHZCK-UWVGGRQHSA-N 0 0 288.313 2.521 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1c([O-])cccc1F ZINC000886649567 647088740 /nfs/dbraw/zinc/08/87/40/647088740.db2.gz DKMUIZYGLQUAOG-DGCLKSJQSA-N 0 0 293.338 2.626 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000886670088 647100703 /nfs/dbraw/zinc/10/07/03/647100703.db2.gz JCBRAYPMDSGJMD-IPYPFGDCSA-N 0 0 297.370 2.502 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCCOC1 ZINC000886789458 647137815 /nfs/dbraw/zinc/13/78/15/647137815.db2.gz VLXRVYBHTCVRCC-HUBLWGQQSA-N 0 0 297.370 2.624 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000886790917 647138030 /nfs/dbraw/zinc/13/80/30/647138030.db2.gz QWWLCKXOBUJYPB-BZPMIXESSA-N 0 0 297.370 2.624 20 10 CFCDRN CC1(C)CC[C@H](CCNC(=O)C2=CC(=O)CS2)OC1 ZINC000887414738 647309165 /nfs/dbraw/zinc/30/91/65/647309165.db2.gz QMAAPSRJKXELBA-LLVKDONJSA-N 0 0 283.393 2.779 20 10 CFCDRN CN(CCCF)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000888005456 647460983 /nfs/dbraw/zinc/46/09/83/647460983.db2.gz WZXSSSXXTVKFQA-UHFFFAOYSA-N 0 0 293.386 2.570 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1C1CCCC1 ZINC000889404797 647562333 /nfs/dbraw/zinc/56/23/33/647562333.db2.gz BOVZYIFJSKCOEJ-GFCCVEGCSA-N 0 0 261.321 2.503 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccnn2C2CCC2)c(O)c1O ZINC000890356779 647785013 /nfs/dbraw/zinc/78/50/13/647785013.db2.gz OPQOAFIPAUSJRF-UHFFFAOYSA-N 0 0 287.319 2.580 20 10 CFCDRN Cc1ccccc1[C@H](CO)N(C)C(=O)C1=CC(=O)CS1 ZINC000923717088 647897351 /nfs/dbraw/zinc/89/73/51/647897351.db2.gz JJVXMWWQFDOXCA-ZDUSSCGKSA-N 0 0 291.372 2.568 20 10 CFCDRN CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)CCO3)nn1 ZINC000924902029 648068370 /nfs/dbraw/zinc/06/83/70/648068370.db2.gz VJMURSQNRQJLAU-GFCCVEGCSA-N 0 0 286.379 2.645 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(N)ccn1)c1ccc(F)cc1[O-] ZINC000925766707 648313331 /nfs/dbraw/zinc/31/33/31/648313331.db2.gz LDWGNKUWMRNHMD-AWEZNQCLSA-N 0 0 275.327 2.749 20 10 CFCDRN CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1ccc(F)cc1[O-] ZINC000926912130 648654513 /nfs/dbraw/zinc/65/45/13/648654513.db2.gz SJMRSSGDMQAJKF-HNNXBMFYSA-N 0 0 291.370 2.857 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1c([O-])cccc1F ZINC000926935551 648663421 /nfs/dbraw/zinc/66/34/21/648663421.db2.gz FZBYQXMDLSLSIP-XQHKEYJVSA-N 0 0 277.339 2.773 20 10 CFCDRN CCO[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])CN(C)C ZINC000926958370 648670764 /nfs/dbraw/zinc/67/07/64/648670764.db2.gz GRNNWJXSBPZUJT-HIFRSBDPSA-N 0 0 298.402 2.539 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927016603 648684602 /nfs/dbraw/zinc/68/46/02/648684602.db2.gz IYJROKBHFWUNCZ-CMPLNLGQSA-N 0 0 282.340 2.502 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCS[C@@H](C)C2)c1 ZINC000927231513 648742103 /nfs/dbraw/zinc/74/21/03/648742103.db2.gz IUKGPLZYAZIBJH-WCQYABFASA-N 0 0 294.420 2.784 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927444902 648780569 /nfs/dbraw/zinc/78/05/69/648780569.db2.gz ZOSWIPXHHGJHGQ-GMFYWQHVSA-N 0 0 287.359 2.808 20 10 CFCDRN C[C@@H]1C[C@H](C)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000928185806 648867494 /nfs/dbraw/zinc/86/74/94/648867494.db2.gz AGATZIYMMUQPEF-NXEZZACHSA-N 0 0 253.367 2.962 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]1C1CCCC1 ZINC000928705351 648944887 /nfs/dbraw/zinc/94/48/87/648944887.db2.gz HINNLNRJQIKYCV-RYUDHWBXSA-N 0 0 277.339 2.974 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)NCc1c(O)cccc1F ZINC000928707699 648945247 /nfs/dbraw/zinc/94/52/47/648945247.db2.gz AVXPLMVQHCPCDZ-UHFFFAOYSA-N 0 0 292.310 2.881 20 10 CFCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000928709195 648946229 /nfs/dbraw/zinc/94/62/29/648946229.db2.gz YEUNSJMLYVCJTE-NWDGAFQWSA-N 0 0 295.354 2.743 20 10 CFCDRN CCS[C@H](C(=O)NCc1c(O)cccc1F)C(C)C ZINC000928711826 648946463 /nfs/dbraw/zinc/94/64/63/648946463.db2.gz LLOFYQNJEWHDFO-ZDUSSCGKSA-N 0 0 285.384 2.925 20 10 CFCDRN CC(C)(C)SCC(=O)NCc1c(O)cccc1F ZINC000928710469 648946663 /nfs/dbraw/zinc/94/66/63/648946663.db2.gz SSEQQPJYQWNEBG-UHFFFAOYSA-N 0 0 271.357 2.679 20 10 CFCDRN CCc1ncc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000929348311 649035941 /nfs/dbraw/zinc/03/59/41/649035941.db2.gz PIGVOZFDLSTFHB-UHFFFAOYSA-N 0 0 276.336 2.891 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C)CC=CC2)cc1 ZINC000929404725 649045212 /nfs/dbraw/zinc/04/52/12/649045212.db2.gz MGVZNMZYNCPPSQ-UHFFFAOYSA-N 0 0 258.365 2.725 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCc1nnc(C)o1 ZINC000930144037 649192677 /nfs/dbraw/zinc/19/26/77/649192677.db2.gz TUOCWQNYHYBIBQ-UHFFFAOYSA-N 0 0 287.363 2.772 20 10 CFCDRN CCOc1cccc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000930858553 649338333 /nfs/dbraw/zinc/33/83/33/649338333.db2.gz MWNBRSVGMNTBLO-UHFFFAOYSA-N 0 0 299.330 2.734 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)COC1 ZINC000930905854 649347147 /nfs/dbraw/zinc/34/71/47/649347147.db2.gz RJNBOGSRSDATGM-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN O=C(Nc1ccnn1CC1CC1)N1Cc2cccc(O)c2C1 ZINC000930927935 649351770 /nfs/dbraw/zinc/35/17/70/649351770.db2.gz NAIZDNHHYIXEQK-UHFFFAOYSA-N 0 0 298.346 2.546 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000932944181 649664414 /nfs/dbraw/zinc/66/44/14/649664414.db2.gz SBZFEMIEXMCLDL-RHSMWYFYSA-N 0 0 272.392 2.867 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000934704777 649818359 /nfs/dbraw/zinc/81/83/59/649818359.db2.gz ILLHEWBQUJCZAE-NVXWUHKLSA-N 0 0 289.375 2.700 20 10 CFCDRN C[C@H]1[NH2+]CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000379453368 782267774 /nfs/dbraw/zinc/26/77/74/782267774.db2.gz LCIUDEHYHTXEMB-BDAKNGLRSA-N 0 0 289.206 2.881 20 10 CFCDRN C[N@H+](CCF)Cc1cc(C(F)(F)F)ccc1O ZINC001237144516 779023969 /nfs/dbraw/zinc/02/39/69/779023969.db2.gz RCNPEWLKSMXNCE-UHFFFAOYSA-N 0 0 251.223 2.812 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CS1 ZINC000708465227 781275789 /nfs/dbraw/zinc/27/57/89/781275789.db2.gz DWCQQYPYROYUDW-GMSGAONNSA-N 0 0 259.321 2.654 20 10 CFCDRN Cc1cccc(Nc2ccnc3cccnc32)c1O ZINC001210187080 770224596 /nfs/dbraw/zinc/22/45/96/770224596.db2.gz DIVDFXQWEYHQQN-UHFFFAOYSA-N 0 0 251.289 2.809 20 10 CFCDRN CC1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)COC1 ZINC001143388681 770516845 /nfs/dbraw/zinc/51/68/45/770516845.db2.gz SYHVXAUOWZAZRT-UHFFFAOYSA-N 0 0 296.370 2.839 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCCCCC1 ZINC000588403225 770530167 /nfs/dbraw/zinc/53/01/67/770530167.db2.gz AIQURQJJJNGPJE-NTMALXAHSA-N 0 0 275.348 2.950 20 10 CFCDRN CN(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403365 770531884 /nfs/dbraw/zinc/53/18/84/770531884.db2.gz LHZQALPKZHEXHX-WMZJFQQLSA-N 0 0 298.342 2.816 20 10 CFCDRN COc1ccccc1OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403864 770531892 /nfs/dbraw/zinc/53/18/92/770531892.db2.gz XPODDTGLYPLPGP-CLFYSBASSA-N 0 0 286.283 2.725 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000723960000 770721070 /nfs/dbraw/zinc/72/10/70/770721070.db2.gz VGCFPUDKKGZHNJ-IINYFYTJSA-N 0 0 285.334 2.965 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1F ZINC000588547815 773191971 /nfs/dbraw/zinc/19/19/71/773191971.db2.gz ADXFLJNLORXOMG-VURMDHGXSA-N 0 0 287.338 2.549 20 10 CFCDRN CC(C)C[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226464290 775833616 /nfs/dbraw/zinc/83/36/16/775833616.db2.gz GLTJNAQCLZTKFQ-QMMMGPOBSA-N 0 0 286.324 2.664 20 10 CFCDRN CCCC[C@@H](CCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226467677 775834730 /nfs/dbraw/zinc/83/47/30/775834730.db2.gz IWTCMUQBLOEVKN-MRVPVSSYSA-N 0 0 286.324 2.952 20 10 CFCDRN CCC[C@@H](C)[C@@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466608 775835063 /nfs/dbraw/zinc/83/50/63/775835063.db2.gz BIYCONJXGURBAN-HTQZYQBOSA-N 0 0 286.324 2.808 20 10 CFCDRN CCC[C@@H]1CCCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466630 775835151 /nfs/dbraw/zinc/83/51/51/775835151.db2.gz BSZGFFWMYZFJMP-RKDXNWHRSA-N 0 0 298.335 2.952 20 10 CFCDRN Cc1ccc([C@@H](C)Oc2c(O)c(O)c(O)c(O)c2O)cc1 ZINC001226469458 775835949 /nfs/dbraw/zinc/83/59/49/775835949.db2.gz ULHREBHZUQRLRY-MRVPVSSYSA-N 0 0 292.287 2.663 20 10 CFCDRN CCCNC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001220236020 775855603 /nfs/dbraw/zinc/85/56/03/775855603.db2.gz DKOAHWYYHZTTIP-UHFFFAOYSA-N 0 0 272.348 2.940 20 10 CFCDRN Cc1cccc2c1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141156556 775962980 /nfs/dbraw/zinc/96/29/80/775962980.db2.gz NALKPZOCIOPYFV-UHFFFAOYSA-N 0 0 255.317 2.922 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1[O-] 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CFCDRN CN(C)c1ccc(CN2CC(F)(F)C[C@H]2CF)c(O)c1 ZINC001232835653 777686667 /nfs/dbraw/zinc/68/66/67/777686667.db2.gz FEBTYGALZNGXIV-LBPRGKRZSA-N 0 0 288.313 2.637 20 10 CFCDRN CN(C)c1ccc(CN2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001232835704 777687292 /nfs/dbraw/zinc/68/72/92/777687292.db2.gz FZVCPUMIGWPQJF-ZDUSSCGKSA-N 0 0 288.313 2.637 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC(F)(F)C1 ZINC001233073857 777788288 /nfs/dbraw/zinc/78/82/88/777788288.db2.gz FWNNRUUYWBYCCR-UHFFFAOYSA-N 0 0 263.234 2.900 20 10 CFCDRN CCCC[NH+]1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077363 777788970 /nfs/dbraw/zinc/78/89/70/777788970.db2.gz LERVPZWKSDQWDX-UHFFFAOYSA-N 0 0 284.350 2.588 20 10 CFCDRN C[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C2(CCCC2)C1 ZINC001233079418 777789681 /nfs/dbraw/zinc/78/96/81/777789681.db2.gz BDBCQJIUKHYXIA-UHFFFAOYSA-N 0 0 296.361 2.731 20 10 CFCDRN CC(C)[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC001233080673 777790869 /nfs/dbraw/zinc/79/08/69/777790869.db2.gz ZVRRRDLRUAZGLM-NSHDSACASA-N 0 0 284.350 2.585 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CC([NH+]3CCCC3)C2)c1 ZINC001233286526 777867440 /nfs/dbraw/zinc/86/74/40/777867440.db2.gz XOBRDIPURNZMJJ-UHFFFAOYSA-N 0 0 288.435 2.970 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CC(F)(C2CC2)C1 ZINC001233331760 777889282 /nfs/dbraw/zinc/88/92/82/777889282.db2.gz JWSAJPBGKAXAKK-UHFFFAOYSA-N 0 0 257.255 2.604 20 10 CFCDRN C[N@H+](CCc1ccccn1)Cc1c([O-])ccc(F)c1F ZINC001233332057 777890755 /nfs/dbraw/zinc/89/07/55/777890755.db2.gz WZFFLVLWXICZPM-UHFFFAOYSA-N 0 0 278.302 2.740 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CCc2cccnc2C1 ZINC001233335721 777895965 /nfs/dbraw/zinc/89/59/65/777895965.db2.gz ILFSMKMBLVDCSY-UHFFFAOYSA-N 0 0 276.286 2.624 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)[C@H](C)C1 ZINC001233336510 777898039 /nfs/dbraw/zinc/89/80/39/777898039.db2.gz OKLSSJJEWQHVTE-NXEZZACHSA-N 0 0 271.307 2.670 20 10 CFCDRN CC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419130 777942581 /nfs/dbraw/zinc/94/25/81/777942581.db2.gz KNSSYSFSYDSESH-SNVBAGLBSA-N 0 0 287.281 2.822 20 10 CFCDRN C[C@H]1COCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415942 777942657 /nfs/dbraw/zinc/94/26/57/777942657.db2.gz PFSALFNGVWTLBN-SNVBAGLBSA-N 0 0 289.297 2.879 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415674 777943604 /nfs/dbraw/zinc/94/36/04/777943604.db2.gz FFQYQACFHDSXPP-MWLCHTKSSA-N 0 0 289.297 2.756 20 10 CFCDRN Oc1c(CN2CC[C@@H](F)C2)cccc1C(F)(F)F ZINC001233415730 777944485 /nfs/dbraw/zinc/94/44/85/777944485.db2.gz GXXPBPJRVSVFOT-SECBINFHSA-N 0 0 263.234 2.955 20 10 CFCDRN COC[C@@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419815 777945270 /nfs/dbraw/zinc/94/52/70/777945270.db2.gz NMKUTVZGCSAIJX-JTQLQIEISA-N 0 0 275.270 2.632 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCC1=O ZINC001233452222 777957789 /nfs/dbraw/zinc/95/77/89/777957789.db2.gz OJESNSCLJQSTBC-SECBINFHSA-N 0 0 287.281 2.822 20 10 CFCDRN Oc1cc(O)c(CN2Cc3ccc(Cl)cc3C2)cc1O ZINC001233486223 777963740 /nfs/dbraw/zinc/96/37/40/777963740.db2.gz DALVAGJRGRLMFE-UHFFFAOYSA-N 0 0 291.734 2.973 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](CC)COC ZINC001233497651 777969274 /nfs/dbraw/zinc/96/92/74/777969274.db2.gz QKMXEYSBQZKZQB-SNVBAGLBSA-N 0 0 282.336 2.884 20 10 CFCDRN CCN1CCc2cc(OC[C@H](C)OC[C@@H](C)OC)ccc21 ZINC001233601704 778008914 /nfs/dbraw/zinc/00/89/14/778008914.db2.gz MBHOFKHZLYJEMT-KGLIPLIRSA-N 0 0 293.407 2.888 20 10 CFCDRN CCOC1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728170 778056341 /nfs/dbraw/zinc/05/63/41/778056341.db2.gz UFJISJIMXSAILW-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN O=c1cc2[nH]cnc(OC3Cc4ccccc4C3)c-2cc1O ZINC001233950216 778120551 /nfs/dbraw/zinc/12/05/51/778120551.db2.gz SWCKTJPTYLRJHT-UHFFFAOYSA-N 0 0 294.310 2.587 20 10 CFCDRN COC1=CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949105 778120671 /nfs/dbraw/zinc/12/06/71/778120671.db2.gz WLKUDGOXCQGAJE-JTQLQIEISA-N 0 0 288.303 2.503 20 10 CFCDRN CCCCOC[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473413 778234143 /nfs/dbraw/zinc/23/41/43/778234143.db2.gz GPDDAPOTDNIGDK-JTQLQIEISA-N 0 0 282.336 2.884 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCCC(=O)C1(C)C ZINC001234477976 778235099 /nfs/dbraw/zinc/23/50/99/778235099.db2.gz VWYUJHGRUBARJO-HNNXBMFYSA-N 0 0 292.331 2.827 20 10 CFCDRN Cn1cc2cccc(CNc3ccc(O)cc3)c2n1 ZINC001168201098 778246783 /nfs/dbraw/zinc/24/67/83/778246783.db2.gz TVSPHTIIEQVQOO-UHFFFAOYSA-N 0 0 253.305 2.891 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001142508986 778396037 /nfs/dbraw/zinc/39/60/37/778396037.db2.gz RUEGEPUXZMRPFF-OAHLLOKOSA-N 0 0 283.318 2.815 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001142527266 778401796 /nfs/dbraw/zinc/40/17/96/778401796.db2.gz QTPLRBODIGXPEK-VIFPVBQESA-N 0 0 289.322 2.700 20 10 CFCDRN CC[N@H+](Cc1c(C)ncn1C)Cc1ccc(N(C)C)cc1 ZINC001235556759 778518071 /nfs/dbraw/zinc/51/80/71/778518071.db2.gz RVEFQEBHLHPBHU-UHFFFAOYSA-N 0 0 286.423 2.817 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2)c(O)c1O ZINC000179389828 778597857 /nfs/dbraw/zinc/59/78/57/778597857.db2.gz VGORHEVJUFOHFP-UHFFFAOYSA-N 0 0 289.306 2.818 20 10 CFCDRN COc1ccc(Nc2ccncc2Cl)c(O)c1 ZINC001212157316 778771283 /nfs/dbraw/zinc/77/12/83/778771283.db2.gz GOIMIHJJTIBZFJ-UHFFFAOYSA-N 0 0 250.685 2.615 20 10 CFCDRN Oc1cc(F)c(F)cc1Nc1ccncc1Cl ZINC001212157460 778771634 /nfs/dbraw/zinc/77/16/34/778771634.db2.gz MISGMRSOLSHZBI-UHFFFAOYSA-N 0 0 256.639 2.884 20 10 CFCDRN Nc1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001236314832 778774460 /nfs/dbraw/zinc/77/44/60/778774460.db2.gz BJESDQOPHZVOBE-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN CCCN(Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC001236324417 778781626 /nfs/dbraw/zinc/78/16/26/778781626.db2.gz PPOMGENSWJYQMK-GFCCVEGCSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1C=CCC1 ZINC000698252273 778785035 /nfs/dbraw/zinc/78/50/35/778785035.db2.gz ZIKPTMADBIMWMW-JTQLQIEISA-N 0 0 268.154 2.963 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)cc2nc[nH]c21 ZINC000129693401 778791821 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CCc1cncc(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001241374015 780828782 /nfs/dbraw/zinc/82/87/82/780828782.db2.gz BUFYKTQHDOMIDM-UHFFFAOYSA-N 0 0 265.316 2.558 20 10 CFCDRN CCc1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001241380083 780834250 /nfs/dbraw/zinc/83/42/50/780834250.db2.gz PGGWCLPIWOYIJN-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN CCc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001241380202 780835624 /nfs/dbraw/zinc/83/56/24/780835624.db2.gz SVLLBHALCKIMCY-UHFFFAOYSA-N 0 0 254.333 2.883 20 10 CFCDRN O=c1cc(-c2cncs2)ccn1CC(F)(F)F ZINC001241499629 780944381 /nfs/dbraw/zinc/94/43/81/780944381.db2.gz OMUBSJRMWZNTJX-UHFFFAOYSA-N 0 0 260.240 2.534 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OCC ZINC000703257401 781005411 /nfs/dbraw/zinc/00/54/11/781005411.db2.gz PTSUAZNQJJFGJS-LLVKDONJSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703309711 781007167 /nfs/dbraw/zinc/00/71/67/781007167.db2.gz VAIUTVWQCVPGHH-ZJUUUORDSA-N 0 0 271.307 2.575 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC000703380970 781012783 /nfs/dbraw/zinc/01/27/83/781012783.db2.gz SMMSNHYIBVRROP-WDEREUQCSA-N 0 0 271.307 2.574 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cccc3c[nH]nc32)nn1 ZINC001241622796 781025616 /nfs/dbraw/zinc/02/56/16/781025616.db2.gz WQSDDZRZXPZJBH-UHFFFAOYSA-N 0 0 290.330 2.729 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541266 781027733 /nfs/dbraw/zinc/02/77/33/781027733.db2.gz MRVFJDSYKMXGOG-KOLCDFICSA-N 0 0 271.307 2.670 20 10 CFCDRN COC[C@@H]1CCCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703560498 781036192 /nfs/dbraw/zinc/03/61/92/781036192.db2.gz ALXUUNOERMFJBR-LLVKDONJSA-N 0 0 285.334 2.919 20 10 CFCDRN COCC[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)C ZINC000703590769 781036239 /nfs/dbraw/zinc/03/62/39/781036239.db2.gz BHYDBQOPOQKRTA-UHFFFAOYSA-N 0 0 273.323 2.775 20 10 CFCDRN O=S1(=O)CCN(c2ccc(C3=CCCCC3)cc2)CC1 ZINC001241718375 781092210 /nfs/dbraw/zinc/09/22/10/781092210.db2.gz IHUMYFQJEUWYOY-UHFFFAOYSA-N 0 0 291.416 2.879 20 10 CFCDRN O=c1cc(-c2cnn(C3CCC3)c2)ccn1CC(F)(F)F ZINC001241724608 781097322 /nfs/dbraw/zinc/09/73/22/781097322.db2.gz GVRHTFIMPQZJBO-UHFFFAOYSA-N 0 0 297.280 2.999 20 10 CFCDRN CCOC(=O)c1cncc(-c2cccc3c2ccn3C)n1 ZINC001241819989 781142832 /nfs/dbraw/zinc/14/28/32/781142832.db2.gz HSIBFMJXIAPWIB-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN COc1nc(-c2cccc3c2ccn3C)cn2ccnc12 ZINC001241823217 781144758 /nfs/dbraw/zinc/14/47/58/781144758.db2.gz YLOWWTBXNNMFCA-UHFFFAOYSA-N 0 0 278.315 2.897 20 10 CFCDRN CON(C)C(=O)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241821897 781144855 /nfs/dbraw/zinc/14/48/55/781144855.db2.gz OLAZJHZBARDGNB-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN COC(=O)[C@@H](C)c1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241823754 781144977 /nfs/dbraw/zinc/14/49/77/781144977.db2.gz UTLJFVTVIUQJJC-NSHDSACASA-N 0 0 295.342 2.912 20 10 CFCDRN COc1ccncc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001242060525 781254598 /nfs/dbraw/zinc/25/45/98/781254598.db2.gz YCSBSMNZRUNSOX-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN COC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414352 781273768 /nfs/dbraw/zinc/27/37/68/781273768.db2.gz RGKGBAFONISKAI-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](C)O1 ZINC000708440573 781274744 /nfs/dbraw/zinc/27/47/44/781274744.db2.gz CPIIHSSUKPCUKJ-UTLUCORTSA-N 0 0 271.307 2.574 20 10 CFCDRN COCCCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708434876 781274899 /nfs/dbraw/zinc/27/48/99/781274899.db2.gz WICSXQMWIBQIFE-UHFFFAOYSA-N 0 0 259.296 2.529 20 10 CFCDRN Cc1ncsc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466297 781275861 /nfs/dbraw/zinc/27/58/61/781275861.db2.gz HKTPFIPBYMSPKN-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000708501101 781291167 /nfs/dbraw/zinc/29/11/67/781291167.db2.gz AXSURBXLDWLPNJ-LBPRGKRZSA-N 0 0 271.307 2.719 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000708495527 781291206 /nfs/dbraw/zinc/29/12/06/781291206.db2.gz YCLYQSFIZCZTAL-YDEJPDAXSA-N 0 0 253.292 2.949 20 10 CFCDRN CC(C)COCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534649 781292548 /nfs/dbraw/zinc/29/25/48/781292548.db2.gz CELPOQYBDYADDX-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708536051 781292873 /nfs/dbraw/zinc/29/28/73/781292873.db2.gz VALHGBPUXDFIOU-AWEZNQCLSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000708556833 781293733 /nfs/dbraw/zinc/29/37/33/781293733.db2.gz YMTYYKVJONZPOY-BZBKMWRSSA-N 0 0 271.307 2.716 20 10 CFCDRN CCC(C)(C)[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000709972553 781324401 /nfs/dbraw/zinc/32/44/01/781324401.db2.gz STOIEMYCVYSDIC-SECBINFHSA-N 0 0 251.326 2.652 20 10 CFCDRN Cc1cc(-c2ccnc3c2CCN3)ccc1N(C)C ZINC001242241229 781341208 /nfs/dbraw/zinc/34/12/08/781341208.db2.gz DTCLVIRDAUAQIY-UHFFFAOYSA-N 0 0 253.349 2.734 20 10 CFCDRN CC(=O)c1ccc(-c2nccc3c2ccn3C)cn1 ZINC001242397737 781463203 /nfs/dbraw/zinc/46/32/03/781463203.db2.gz FOVQBQSJLKSEAW-UHFFFAOYSA-N 0 0 251.289 2.838 20 10 CFCDRN CC(=O)c1ccc(-c2cnc3ccn(C)c3c2)cn1 ZINC001242401386 781467318 /nfs/dbraw/zinc/46/73/18/781467318.db2.gz CVZWRZFBDYBAOY-UHFFFAOYSA-N 0 0 251.289 2.838 20 10 CFCDRN COC(C)(C)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000711825508 781473519 /nfs/dbraw/zinc/47/35/19/781473519.db2.gz DOXGDOBFRHTXPX-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN CCn1ccc(-c2cc(Cl)cnc2OC)cc1=O ZINC001242508757 781555475 /nfs/dbraw/zinc/55/54/75/781555475.db2.gz MENUDNSCGOVJRM-UHFFFAOYSA-N 0 0 264.712 2.592 20 10 CFCDRN CC(C)Cc1nnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000082699915 178202078 /nfs/dbraw/zinc/20/20/78/178202078.db2.gz NUFWAQPYVODYPS-UHFFFAOYSA-N 0 0 290.392 2.500 20 10 CFCDRN C[C@@H](CCCCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294975526 199279293 /nfs/dbraw/zinc/27/92/93/199279293.db2.gz GCQWVSSLZJJNIU-VIFPVBQESA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@@H](CCO)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000295035255 199312492 /nfs/dbraw/zinc/31/24/92/199312492.db2.gz DMSZCXZXVCLKCL-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN CC[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000073439207 346978326 /nfs/dbraw/zinc/97/83/26/346978326.db2.gz XIPGYLXMDVNKAO-AWEZNQCLSA-N 0 0 290.407 2.528 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000075543056 347083845 /nfs/dbraw/zinc/08/38/45/347083845.db2.gz NGIIKYAMDLEAEQ-BETUJISGSA-N 0 0 275.396 2.550 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccco1 ZINC000348636573 539521631 /nfs/dbraw/zinc/52/16/31/539521631.db2.gz RIPSCFAWWBDXFO-UHFFFAOYSA-N 0 0 282.343 2.939 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CCCO2)cc1 ZINC000046321255 346425802 /nfs/dbraw/zinc/42/58/02/346425802.db2.gz UBCZLHGXZVZKDX-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccco2)cc1 ZINC000053251048 346541677 /nfs/dbraw/zinc/54/16/77/346541677.db2.gz HVRJHQDIHPJQQE-UHFFFAOYSA-N 0 0 287.363 2.687 20 10 CFCDRN CCCSCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730517 346649272 /nfs/dbraw/zinc/64/92/72/346649272.db2.gz YPZPNDOKRUKIIM-UHFFFAOYSA-N 0 0 284.400 2.651 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000058731476 346649307 /nfs/dbraw/zinc/64/93/07/346649307.db2.gz DCVILJAMJSLQJT-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000058730799 346649565 /nfs/dbraw/zinc/64/95/65/346649565.db2.gz VKBJGHRKCVVENL-UHFFFAOYSA-N 0 0 276.311 2.723 20 10 CFCDRN CCCCS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000064943453 346727965 /nfs/dbraw/zinc/72/79/65/346727965.db2.gz FJTWYNMHJSQYJW-UHFFFAOYSA-N 0 0 298.452 2.704 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1CCOCC1 ZINC000066096695 346747684 /nfs/dbraw/zinc/74/76/84/346747684.db2.gz FSFOWQOOPXWCPQ-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000092763977 347645529 /nfs/dbraw/zinc/64/55/29/347645529.db2.gz QLQVWPVVYUNNHF-MRVPVSSYSA-N 0 0 276.163 2.513 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccc1 ZINC000206094913 348155971 /nfs/dbraw/zinc/15/59/71/348155971.db2.gz GVTCNXABFJWQNV-MRXNPFEDSA-N 0 0 257.333 2.558 20 10 CFCDRN CC1(C)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269738136 540096930 /nfs/dbraw/zinc/09/69/30/540096930.db2.gz YVFMGEQBVDAJSU-HNNXBMFYSA-N 0 0 272.392 2.949 20 10 CFCDRN CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(F)cc1[O-] ZINC000287586802 540120325 /nfs/dbraw/zinc/12/03/25/540120325.db2.gz RJSRPPAMFBCRET-RBZFPXEDSA-N 0 0 299.411 2.873 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCC(O)CC1 ZINC000294333396 199002559 /nfs/dbraw/zinc/00/25/59/199002559.db2.gz RTDHKESGHJIUCN-UHFFFAOYSA-N 0 0 273.735 2.578 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276199443 299277313 /nfs/dbraw/zinc/27/73/13/299277313.db2.gz NIFYAFCRZDPUDU-VIFPVBQESA-N 0 0 272.339 2.661 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC000297079937 200079617 /nfs/dbraw/zinc/07/96/17/200079617.db2.gz DCQWOHLDCUMMBK-ZIAGYGMSSA-N 0 0 285.391 2.613 20 10 CFCDRN C[C@H]([NH2+]CCCn1cccn1)c1ccc(F)c(F)c1[O-] ZINC000191195056 299295626 /nfs/dbraw/zinc/29/56/26/299295626.db2.gz HGHMLBAVOZDFRS-JTQLQIEISA-N 0 0 281.306 2.608 20 10 CFCDRN C[C@H]([NH2+]CCNc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000276978285 299299096 /nfs/dbraw/zinc/29/90/96/299299096.db2.gz VMEJYTXGDVHJTA-JTQLQIEISA-N 0 0 293.317 2.828 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1F ZINC000299367403 200698289 /nfs/dbraw/zinc/69/82/89/200698289.db2.gz ZIDBOSQVWFTIGL-LBPRGKRZSA-N 0 0 276.355 2.864 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3CC3)CC2)cc1 ZINC001243028222 781939963 /nfs/dbraw/zinc/93/99/63/781939963.db2.gz PSXCXRFEHQGTHQ-UHFFFAOYSA-N 0 0 270.376 2.778 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnccc2Cl)nn1 ZINC001243044737 781949387 /nfs/dbraw/zinc/94/93/87/781949387.db2.gz XSLKCQGZQHEZIE-UHFFFAOYSA-N 0 0 285.738 2.901 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000278480174 299390412 /nfs/dbraw/zinc/39/04/12/299390412.db2.gz KMGMVVBRWNMOTF-HOTUBEGUSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000364801145 299400946 /nfs/dbraw/zinc/40/09/46/299400946.db2.gz XMCYGHRWNWQPDR-LOHPEHISSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000134926104 296147972 /nfs/dbraw/zinc/14/79/72/296147972.db2.gz MNBDASFTSWRPQP-NKWVEPMBSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000273391877 296149613 /nfs/dbraw/zinc/14/96/13/296149613.db2.gz KVHRDXUVRDOQQP-BDAKNGLRSA-N 0 0 250.298 2.750 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1cn[nH]c1 ZINC000276908149 296158712 /nfs/dbraw/zinc/15/87/12/296158712.db2.gz KGJCCSXYFNNTPC-HTQZYQBOSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(F)c(F)c1[O-] ZINC000276964051 299421187 /nfs/dbraw/zinc/42/11/87/299421187.db2.gz SIHICZCQAACRRM-CWSCBRNRSA-N 0 0 285.334 2.872 20 10 CFCDRN CS[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000032665910 372452924 /nfs/dbraw/zinc/45/29/24/372452924.db2.gz YVHCZJWBMUXCIR-LBPRGKRZSA-N 0 0 278.421 2.655 20 10 CFCDRN CCN(CC)c1ccc(CNc2ccn(C)n2)cc1 ZINC000057844052 373614140 /nfs/dbraw/zinc/61/41/40/373614140.db2.gz AYZUVRYFJFNGEJ-UHFFFAOYSA-N 0 0 258.369 2.878 20 10 CFCDRN COc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000092729527 375143871 /nfs/dbraw/zinc/14/38/71/375143871.db2.gz WFKBKDFCUXZMPR-CYBMUJFWSA-N 0 0 287.363 2.851 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1C1CC1 ZINC000093645479 375285493 /nfs/dbraw/zinc/28/54/93/375285493.db2.gz MVGACAJKCYGKNP-ZDUSSCGKSA-N 0 0 267.756 2.656 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCOc2ccc(F)cc21 ZINC000122402012 376927448 /nfs/dbraw/zinc/92/74/48/376927448.db2.gz LWIIYWQNIYLWNH-ZZXKWVIFSA-N 0 0 284.290 2.660 20 10 CFCDRN COC[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124600002 377068396 /nfs/dbraw/zinc/06/83/96/377068396.db2.gz VBHBXYMRUWBOGQ-JTQLQIEISA-N 0 0 255.745 2.514 20 10 CFCDRN CC1CCN(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000124707357 377079637 /nfs/dbraw/zinc/07/96/37/377079637.db2.gz VCOGAAKMKGUKNU-UHFFFAOYSA-N 0 0 282.815 2.867 20 10 CFCDRN COC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124731007 377081981 /nfs/dbraw/zinc/08/19/81/377081981.db2.gz HETWYOXBIYPXCA-CQSZACIVSA-N 0 0 280.387 2.750 20 10 CFCDRN CC[C@@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124859761 377096523 /nfs/dbraw/zinc/09/65/23/377096523.db2.gz RJOQSRDFXQWTLD-JTQLQIEISA-N 0 0 257.761 2.544 20 10 CFCDRN CC[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126434556 377228349 /nfs/dbraw/zinc/22/83/49/377228349.db2.gz UCYIOCOLCUHWCP-NSHDSACASA-N 0 0 263.337 2.750 20 10 CFCDRN CC[C@@H](C)CN(CC)C(=O)c1cccc(O)c1O ZINC000126476163 377231160 /nfs/dbraw/zinc/23/11/60/377231160.db2.gz PMGSAMWTJXCZOB-SNVBAGLBSA-N 0 0 251.326 2.606 20 10 CFCDRN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000128221632 377325384 /nfs/dbraw/zinc/32/53/84/377325384.db2.gz SBNDZJAGCNCDTJ-WDEREUQCSA-N 0 0 290.190 2.948 20 10 CFCDRN COc1ccc(N(C)CCCn2ccnc2C)cc1F ZINC000127403390 377280309 /nfs/dbraw/zinc/28/03/09/377280309.db2.gz WYVOMHJUGVLMCW-UHFFFAOYSA-N 0 0 277.343 2.866 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(OC)c1O ZINC000132288657 377823369 /nfs/dbraw/zinc/82/33/69/377823369.db2.gz JCBNDFOJJRDBEZ-DGCLKSJQSA-N 0 0 292.379 2.779 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000133361439 377924066 /nfs/dbraw/zinc/92/40/66/377924066.db2.gz NTFKNRBRNIJIDC-GFCCVEGCSA-N 0 0 264.369 2.968 20 10 CFCDRN C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134240955 377995204 /nfs/dbraw/zinc/99/52/04/377995204.db2.gz XFQJVMBZVWMOPK-WRWORJQWSA-N 0 0 276.163 2.966 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CO)cc1 ZINC000135338825 378119925 /nfs/dbraw/zinc/11/99/25/378119925.db2.gz JMUDFIQBOWOUOI-UHFFFAOYSA-N 0 0 286.375 2.595 20 10 CFCDRN O=C(CC[NH2+]Cc1cccc(Cl)c1[O-])N1CCCCC1 ZINC000135757167 378163086 /nfs/dbraw/zinc/16/30/86/378163086.db2.gz MFSBVZOAXDYTRW-UHFFFAOYSA-N 0 0 296.798 2.538 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2nccs2)cc1 ZINC000155196881 378615165 /nfs/dbraw/zinc/61/51/65/378615165.db2.gz BYQRJKLKDMGOLD-UHFFFAOYSA-N 0 0 261.394 2.841 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000175243749 380027181 /nfs/dbraw/zinc/02/71/81/380027181.db2.gz XDGXZMYDJZVCJP-CYBMUJFWSA-N 0 0 272.392 2.949 20 10 CFCDRN CC[C@@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192073 380419612 /nfs/dbraw/zinc/41/96/12/380419612.db2.gz VSEMQTMCFZPDCJ-CYBMUJFWSA-N 0 0 276.380 2.580 20 10 CFCDRN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000180208042 380634198 /nfs/dbraw/zinc/63/41/98/380634198.db2.gz VZNUOCUZXJUAFJ-CYBMUJFWSA-N 0 0 277.364 2.556 20 10 CFCDRN CCn1cc(CN(C)c2ccc(OC)c(F)c2)cn1 ZINC000180774790 380697800 /nfs/dbraw/zinc/69/78/00/380697800.db2.gz BKBXELKJMQKMAS-UHFFFAOYSA-N 0 0 263.316 2.687 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000180406235 380652636 /nfs/dbraw/zinc/65/26/36/380652636.db2.gz YIWMQSMVVNQANC-NSHDSACASA-N 0 0 295.688 2.545 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000180417901 380655698 /nfs/dbraw/zinc/65/56/98/380655698.db2.gz BKOBIEYHZPBTCU-UHFFFAOYSA-N 0 0 267.756 2.801 20 10 CFCDRN C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424109 380657972 /nfs/dbraw/zinc/65/79/72/380657972.db2.gz MNPFFCSHPLYERI-WCQYABFASA-N 0 0 282.815 2.960 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCCCCCO ZINC000181136925 380746591 /nfs/dbraw/zinc/74/65/91/380746591.db2.gz LWTUNIUXBIQFQO-UHFFFAOYSA-N 0 0 278.396 2.504 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)cc1[O-] ZINC000287591180 380877030 /nfs/dbraw/zinc/87/70/30/380877030.db2.gz ROIQYINPCMFVSY-CQSZACIVSA-N 0 0 277.343 2.814 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000287417231 380827955 /nfs/dbraw/zinc/82/79/55/380827955.db2.gz JYQIOQKCMUPRFQ-SUHUHFCYSA-N 0 0 267.344 2.733 20 10 CFCDRN COC(=O)c1cnc(SCCOC(C)(C)C)s1 ZINC000295428103 380849122 /nfs/dbraw/zinc/84/91/22/380849122.db2.gz YVGYGVVNVGPKFI-UHFFFAOYSA-N 0 0 275.395 2.837 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCOC2 ZINC000368095198 380921908 /nfs/dbraw/zinc/92/19/08/380921908.db2.gz WQQWNQQPRBZMLH-PBHICJAKSA-N 0 0 289.375 2.557 20 10 CFCDRN COc1ccc(N(C)CCOC2CCC2)c(OC)c1 ZINC000287893539 380965615 /nfs/dbraw/zinc/96/56/15/380965615.db2.gz UKASPOFIJGDXHQ-UHFFFAOYSA-N 0 0 265.353 2.709 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1nncn1C)c1cccc(Cl)c1[O-] ZINC000287789026 380940066 /nfs/dbraw/zinc/94/00/66/380940066.db2.gz SRHFQZKOFHDSEQ-BXKDBHETSA-N 0 0 294.786 2.976 20 10 CFCDRN COC(=O)C(C)(C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289344861 381031337 /nfs/dbraw/zinc/03/13/37/381031337.db2.gz IHIRDDOUWOGKIC-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN COc1ccc(N(CCC(C)C)Cc2cnnn2C)cc1 ZINC000289341135 381030636 /nfs/dbraw/zinc/03/06/36/381030636.db2.gz FZLPAVBZTBERKR-UHFFFAOYSA-N 0 0 288.395 2.876 20 10 CFCDRN Cc1csc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000295667712 381005204 /nfs/dbraw/zinc/00/52/04/381005204.db2.gz FQXFZNSYXWBRFP-SNVBAGLBSA-N 0 0 291.372 2.829 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c(O)c1O ZINC000182499747 381100679 /nfs/dbraw/zinc/10/06/79/381100679.db2.gz MZOZSMHCPARLRG-KOLCDFICSA-N 0 0 263.337 2.667 20 10 CFCDRN CCCC(CCC)C(=O)NCc1ccc(O)c(O)c1 ZINC000182513146 381103827 /nfs/dbraw/zinc/10/38/27/381103827.db2.gz KBSMFMLXXAGROE-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN CC[C@H](CSC)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182983943 381193537 /nfs/dbraw/zinc/19/35/37/381193537.db2.gz AFJDKZGADFIZAL-SNVBAGLBSA-N 0 0 283.393 2.620 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C(C)(C)C1(C)C ZINC000183441969 381273410 /nfs/dbraw/zinc/27/34/10/381273410.db2.gz JRZJTUDGEMQNOT-JTQLQIEISA-N 0 0 291.391 2.827 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2nnc(C3CC3)[nH]2)cc1 ZINC000296551356 381445308 /nfs/dbraw/zinc/44/53/08/381445308.db2.gz RNIPJLISMJDUEK-LBPRGKRZSA-N 0 0 299.422 2.989 20 10 CFCDRN Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000296559653 381448565 /nfs/dbraw/zinc/44/85/65/381448565.db2.gz PLWHQLKDWOEFSD-UHFFFAOYSA-N 0 0 298.342 2.609 20 10 CFCDRN COc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000184677691 381458042 /nfs/dbraw/zinc/45/80/42/381458042.db2.gz KMWHLKWMEIUFKO-FUNVUKJBSA-N 0 0 297.782 2.542 20 10 CFCDRN O=C1CCN(Cc2ccccc2O)c2ccc(F)cc2N1 ZINC000378126003 296323390 /nfs/dbraw/zinc/32/33/90/296323390.db2.gz GWOSALHRJJGOSL-UHFFFAOYSA-N 0 0 286.306 2.880 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185122249 381541435 /nfs/dbraw/zinc/54/14/35/381541435.db2.gz MLUSSKOYHZEIFV-GPNNCHTKSA-N 0 0 287.334 2.840 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc2c(n1)CCC2 ZINC000296860196 381546739 /nfs/dbraw/zinc/54/67/39/381546739.db2.gz XSOHAQYWIJIMHD-UHFFFAOYSA-N 0 0 283.331 2.598 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000297253696 381555755 /nfs/dbraw/zinc/55/57/55/381555755.db2.gz QXTQZBHKSWMMJS-HKUYNNGSSA-N 0 0 292.382 2.789 20 10 CFCDRN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC12CCC2 ZINC000297670043 381568841 /nfs/dbraw/zinc/56/88/41/381568841.db2.gz ZTKTXMUCGSKPKG-JTQLQIEISA-N 0 0 293.338 2.889 20 10 CFCDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC000298415876 381616799 /nfs/dbraw/zinc/61/67/99/381616799.db2.gz PKWLYXFJKDNNPZ-BXUZGUMPSA-N 0 0 283.375 2.875 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1cncc2nncn21 ZINC000359818946 381625350 /nfs/dbraw/zinc/62/53/50/381625350.db2.gz OZQUGCVZDNEAIZ-UHFFFAOYSA-N 0 0 292.346 2.537 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185438645 381632093 /nfs/dbraw/zinc/63/20/93/381632093.db2.gz UTSIAPFQFIGBPM-BHDSKKPTSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185540262 381661736 /nfs/dbraw/zinc/66/17/36/381661736.db2.gz GOYRPJNEUZYBTN-SNVBAGLBSA-N 0 0 283.343 2.914 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000185726219 381715647 /nfs/dbraw/zinc/71/56/47/381715647.db2.gz OZSRCXKFGWUIKY-AWEZNQCLSA-N 0 0 297.354 2.803 20 10 CFCDRN C[C@@H]1CCCCN1C(=O)CSc1nccs1 ZINC000298650950 381699370 /nfs/dbraw/zinc/69/93/70/381699370.db2.gz KBIRMCBIDFXLBG-SECBINFHSA-N 0 0 256.396 2.636 20 10 CFCDRN CCN(CC)c1ccc(CNc2ccc(C(N)=O)cn2)cc1 ZINC000298720954 381724975 /nfs/dbraw/zinc/72/49/75/381724975.db2.gz KBLMPVUFWWLYGX-UHFFFAOYSA-N 0 0 298.390 2.639 20 10 CFCDRN COCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186134726 381832242 /nfs/dbraw/zinc/83/22/42/381832242.db2.gz JXGWLULMSUZACC-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN CCO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299059095 381810630 /nfs/dbraw/zinc/81/06/30/381810630.db2.gz UZILSRZLPNDICJ-CQSZACIVSA-N 0 0 292.423 2.915 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292845589 381861801 /nfs/dbraw/zinc/86/18/01/381861801.db2.gz SPKRTQASUFYAIL-HNNXBMFYSA-N 0 0 291.391 2.649 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(F)c(F)c1[O-] ZINC000372980051 381902497 /nfs/dbraw/zinc/90/24/97/381902497.db2.gz MYWAFJJJIJDQAG-WPRPVWTQSA-N 0 0 293.317 2.602 20 10 CFCDRN Fc1cccc2c1[C@H](NCc1ccc3c(c1)CCO3)CO2 ZINC000373285910 381969714 /nfs/dbraw/zinc/96/97/14/381969714.db2.gz QKNWAQLSTROOPM-CQSZACIVSA-N 0 0 285.318 2.984 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373315223 381978576 /nfs/dbraw/zinc/97/85/76/381978576.db2.gz CKMKBCXWHFURMY-CQSZACIVSA-N 0 0 285.746 2.532 20 10 CFCDRN COc1ccc(O)c(CN2CCOC[C@H]2c2ccccc2)c1 ZINC000374997516 382063118 /nfs/dbraw/zinc/06/31/18/382063118.db2.gz KBHSDHMLCXCZIT-KRWDZBQOSA-N 0 0 299.370 2.974 20 10 CFCDRN CN1CCc2cc(CNC(=O)NC(C3CC3)C3CC3)ccc21 ZINC000373601148 382021149 /nfs/dbraw/zinc/02/11/49/382021149.db2.gz KNMMBHXBVOWBOI-UHFFFAOYSA-N 0 0 299.418 2.667 20 10 CFCDRN COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000375252479 382072766 /nfs/dbraw/zinc/07/27/66/382072766.db2.gz IPMIPJOUEMTUAU-LRDDRELGSA-N 0 0 277.364 2.574 20 10 CFCDRN COCc1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000301510166 382173803 /nfs/dbraw/zinc/17/38/03/382173803.db2.gz KINFPISDGUDVBX-UHFFFAOYSA-N 0 0 292.408 2.671 20 10 CFCDRN C[C@]1(C(=O)NCc2ccccc2O)[C@H]2Cc3ccccc3[C@H]21 ZINC000376744063 382171170 /nfs/dbraw/zinc/17/11/70/382171170.db2.gz PHNGIOLTHTYJLU-WDYCEAGBSA-N 0 0 293.366 2.984 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293622593 382201152 /nfs/dbraw/zinc/20/11/52/382201152.db2.gz MOADZNVXDPUWRC-PSASIEDQSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293622601 382201626 /nfs/dbraw/zinc/20/16/26/382201626.db2.gz MOADZNVXDPUWRC-WCBMZHEXSA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000187528774 382203204 /nfs/dbraw/zinc/20/32/04/382203204.db2.gz GWBBKQQQGZDFFW-LBPRGKRZSA-N 0 0 281.739 2.852 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)O ZINC000293635355 382206488 /nfs/dbraw/zinc/20/64/88/382206488.db2.gz LUBNVSBNFQIKTF-GFCCVEGCSA-N 0 0 275.751 2.824 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)O ZINC000293635357 382207592 /nfs/dbraw/zinc/20/75/92/382207592.db2.gz LUBNVSBNFQIKTF-LBPRGKRZSA-N 0 0 275.751 2.824 20 10 CFCDRN C[C@H](CO)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293711079 382245786 /nfs/dbraw/zinc/24/57/86/382245786.db2.gz USULUQASAMVINS-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000187700075 382251734 /nfs/dbraw/zinc/25/17/34/382251734.db2.gz KFAMBDBPLDCKNF-PWSUYJOCSA-N 0 0 263.337 2.540 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000293725789 382252395 /nfs/dbraw/zinc/25/23/95/382252395.db2.gz OBLBWIFVDLTQGF-UKRRQHHQSA-N 0 0 267.344 2.997 20 10 CFCDRN CN1CCc2cc(CNCc3noc4c3CCCC4)ccc21 ZINC000377407799 382267532 /nfs/dbraw/zinc/26/75/32/382267532.db2.gz MYKWAKGIXNHPCH-UHFFFAOYSA-N 0 0 297.402 2.836 20 10 CFCDRN CSC[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000187783244 382267595 /nfs/dbraw/zinc/26/75/95/382267595.db2.gz PDYJYYOCRMVNSK-LBPRGKRZSA-N 0 0 294.445 2.903 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](C2CC2)C1 ZINC000364514650 382322741 /nfs/dbraw/zinc/32/27/41/382322741.db2.gz YTPCZMAIPYFYJP-AWEZNQCLSA-N 0 0 267.756 2.656 20 10 CFCDRN COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000293965278 382356779 /nfs/dbraw/zinc/35/67/79/382356779.db2.gz RJXQIZIDOLTZCZ-MRXNPFEDSA-N 0 0 298.386 2.955 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)c2nccn21 ZINC000294138359 382430810 /nfs/dbraw/zinc/43/08/10/382430810.db2.gz PAYMOPHZMJYQDL-DOMZBBRYSA-N 0 0 270.380 2.745 20 10 CFCDRN O=S(=O)(CCCCF)Nc1ccc(O)c(Cl)c1 ZINC000294081494 382408373 /nfs/dbraw/zinc/40/83/73/382408373.db2.gz AFVQECONIRJFRY-UHFFFAOYSA-N 0 0 281.736 2.537 20 10 CFCDRN Oc1ccc(F)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000378490463 382471282 /nfs/dbraw/zinc/47/12/82/382471282.db2.gz CTKFAKQLHJCCFA-HNNXBMFYSA-N 0 0 278.371 2.592 20 10 CFCDRN COC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000378443372 382460629 /nfs/dbraw/zinc/46/06/29/382460629.db2.gz MVVFPURIKKIZEP-NSHDSACASA-N 0 0 297.782 2.677 20 10 CFCDRN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294713581 382525094 /nfs/dbraw/zinc/52/50/94/382525094.db2.gz OXSODFBTCCLWCQ-PRHODGIISA-N 0 0 273.735 2.699 20 10 CFCDRN Cc1nocc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000294771079 382527336 /nfs/dbraw/zinc/52/73/36/382527336.db2.gz AWWXPIOTXCMQTP-UHFFFAOYSA-N 0 0 259.353 2.681 20 10 CFCDRN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000294431667 382513065 /nfs/dbraw/zinc/51/30/65/382513065.db2.gz ZUCUZNYSTRHRJR-DGCLKSJQSA-N 0 0 283.375 2.970 20 10 CFCDRN COC(=O)c1cnc(SCc2csc(C)n2)s1 ZINC000294903130 382543456 /nfs/dbraw/zinc/54/34/56/382543456.db2.gz ASDSTPGYKODMIU-UHFFFAOYSA-N 0 0 286.403 2.987 20 10 CFCDRN Cn1ccnc1[C@@H]1N(Cc2ccccc2O)CC1(C)C ZINC000294907267 382543569 /nfs/dbraw/zinc/54/35/69/382543569.db2.gz XTVYEDTVKIOGQC-AWEZNQCLSA-N 0 0 271.364 2.709 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000295000619 382560095 /nfs/dbraw/zinc/56/00/95/382560095.db2.gz UUTGSEKHBRHTSF-SNVBAGLBSA-N 0 0 273.735 2.796 20 10 CFCDRN CC(C)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000294810317 382530857 /nfs/dbraw/zinc/53/08/57/382530857.db2.gz CMHYPJOHLOLLSB-UHFFFAOYSA-N 0 0 281.327 2.745 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@H]1CCCO1 ZINC000189785279 382640753 /nfs/dbraw/zinc/64/07/53/382640753.db2.gz AEIFYFXUIBOTOG-CQSZACIVSA-N 0 0 276.380 2.521 20 10 CFCDRN CN(C)c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000190306633 382661495 /nfs/dbraw/zinc/66/14/95/382661495.db2.gz PPXQXUIWOCSKCB-UHFFFAOYSA-N 0 0 278.337 2.729 20 10 CFCDRN C/C=C(\CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190591658 382674193 /nfs/dbraw/zinc/67/41/93/382674193.db2.gz UJGZTCKSUQAOIS-LFYBBSHMSA-N 0 0 264.344 2.864 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190639885 382676049 /nfs/dbraw/zinc/67/60/49/382676049.db2.gz ORSNGIXOLOSVIT-UHFFFAOYSA-N 0 0 299.374 2.656 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCCO2)c(OC)c1 ZINC000189746092 382639121 /nfs/dbraw/zinc/63/91/21/382639121.db2.gz BSXZXUHXIGTFOE-GFCCVEGCSA-N 0 0 265.353 2.709 20 10 CFCDRN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000248485982 383249838 /nfs/dbraw/zinc/24/98/38/383249838.db2.gz FIPYUZPCDNHHOP-GLZQIGESSA-N 0 0 287.334 2.840 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncc(F)c2)n1 ZINC000255137164 383476329 /nfs/dbraw/zinc/47/63/29/383476329.db2.gz FBCKQNRWDXTPPW-SREVYHEPSA-N 0 0 271.295 2.600 20 10 CFCDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000528823051 383647853 /nfs/dbraw/zinc/64/78/53/383647853.db2.gz FNZJVDVIAJHVAL-LKTVYLICSA-N 0 0 259.349 2.643 20 10 CFCDRN O=C(NCCCC(F)(F)F)NCc1ccccc1O ZINC000266474255 384182712 /nfs/dbraw/zinc/18/27/12/384182712.db2.gz JVAMCZFHZBMAMD-UHFFFAOYSA-N 0 0 276.258 2.534 20 10 CFCDRN CC(C)(C)c1cc(C(=O)NCc2ccccc2O)no1 ZINC000266497296 384186414 /nfs/dbraw/zinc/18/64/14/384186414.db2.gz FKUYHLYWMALEEI-UHFFFAOYSA-N 0 0 274.320 2.608 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCCS3)ccc21 ZINC000266564234 384199040 /nfs/dbraw/zinc/19/90/40/384199040.db2.gz NWMMNOHWEQTBBL-OAHLLOKOSA-N 0 0 290.432 2.581 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cncc(F)c2)cc1 ZINC000268426708 384619383 /nfs/dbraw/zinc/61/93/83/384619383.db2.gz MOWFQRCLRXFTBN-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1C ZINC000268850613 384675469 /nfs/dbraw/zinc/67/54/69/384675469.db2.gz PMQYAHLJJJNANC-CQSZACIVSA-N 0 0 271.364 2.894 20 10 CFCDRN COc1ccc(C(C)(C)C(=O)NCc2ccccc2O)cc1 ZINC000269092416 384726009 /nfs/dbraw/zinc/72/60/09/384726009.db2.gz CJQFXAUJPKIAAB-UHFFFAOYSA-N 0 0 299.370 2.995 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2nncn2C)cc1 ZINC000268934494 384696013 /nfs/dbraw/zinc/69/60/13/384696013.db2.gz UEWBIVNULWXZHK-CHWSQXEVSA-N 0 0 287.411 2.683 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nccc(N)n1 ZINC000269615839 384804621 /nfs/dbraw/zinc/80/46/21/384804621.db2.gz COSPJSMIPASBOP-UHFFFAOYSA-N 0 0 299.422 2.535 20 10 CFCDRN CC(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000282178754 385237234 /nfs/dbraw/zinc/23/72/34/385237234.db2.gz VPFPCJXGQMADJP-UHFFFAOYSA-N 0 0 288.391 2.613 20 10 CFCDRN CCOc1cccc(C[N@H+](CCO)C2CCCC2)c1O ZINC000270983092 385291139 /nfs/dbraw/zinc/29/11/39/385291139.db2.gz DWIIJNICHMECHQ-UHFFFAOYSA-N 0 0 279.380 2.528 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)s2)cc1F ZINC000271456594 385383203 /nfs/dbraw/zinc/38/32/03/385383203.db2.gz SQZCFOWZCJJHGU-UHFFFAOYSA-N 0 0 267.329 2.631 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271781970 385392222 /nfs/dbraw/zinc/39/22/22/385392222.db2.gz DWYWGVGRDCBPAU-GFCCVEGCSA-N 0 0 277.755 2.936 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000271781984 385392752 /nfs/dbraw/zinc/39/27/52/385392752.db2.gz DXEIAEUAJPDCIF-CQSZACIVSA-N 0 0 281.739 2.636 20 10 CFCDRN Cc1nccn1CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000272050705 385435519 /nfs/dbraw/zinc/43/55/19/385435519.db2.gz QGKHXTDEVCPESM-UHFFFAOYSA-N 0 0 279.771 2.730 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCCc2ccccc21 ZINC000283652934 385485045 /nfs/dbraw/zinc/48/50/45/385485045.db2.gz DDUCDFOZROINPR-CMDGGOBGSA-N 0 0 267.332 2.792 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000272411130 385530102 /nfs/dbraw/zinc/53/01/02/385530102.db2.gz KVWVDPKQVVACHO-IUODEOHRSA-N 0 0 297.395 2.676 20 10 CFCDRN COCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000284410684 385548923 /nfs/dbraw/zinc/54/89/23/385548923.db2.gz DMVPNWVZCHSBEF-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN CCc1[nH]ccc1C(=O)N(C)Cc1ccccc1O ZINC000285745303 385557158 /nfs/dbraw/zinc/55/71/58/385557158.db2.gz RPOGGQZLEGTQKI-UHFFFAOYSA-N 0 0 258.321 2.555 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000285939585 385558493 /nfs/dbraw/zinc/55/84/93/385558493.db2.gz FQWFRBYSSHJJPE-MJVIPROJSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286123809 385562003 /nfs/dbraw/zinc/56/20/03/385562003.db2.gz OEIRMKGXCJYGKC-GWCFXTLKSA-N 0 0 296.386 2.875 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000273406723 385681215 /nfs/dbraw/zinc/68/12/15/385681215.db2.gz ONQRUJVISHQADF-SNVBAGLBSA-N 0 0 275.304 2.623 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391879 385681305 /nfs/dbraw/zinc/68/13/05/385681305.db2.gz KVHRDXUVRDOQQP-IUCAKERBSA-N 0 0 250.298 2.750 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]CCn2ccnc2)c(O)c1C ZINC000273392052 385681346 /nfs/dbraw/zinc/68/13/46/385681346.db2.gz LBRLWVPFHAWTSX-ZDUSSCGKSA-N 0 0 259.353 2.556 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398337 385681468 /nfs/dbraw/zinc/68/14/68/385681468.db2.gz MLSSQRRLXIPPPX-PWSUYJOCSA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273472157 385684701 /nfs/dbraw/zinc/68/47/01/385684701.db2.gz JVUVSAFMCMMUPW-WDEREUQCSA-N 0 0 296.367 2.748 20 10 CFCDRN CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000273499730 385685748 /nfs/dbraw/zinc/68/57/48/385685748.db2.gz PVGSLRGHZQWMCU-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncnc1 ZINC000273584717 385689479 /nfs/dbraw/zinc/68/94/79/385689479.db2.gz GGEUMYZMTOJBHE-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000273602540 385691419 /nfs/dbraw/zinc/69/14/19/385691419.db2.gz SEHTVBICWUPZQB-IINYFYTJSA-N 0 0 279.311 2.817 20 10 CFCDRN CC[C@@H](C)CCC(=O)NCc1ccc(O)c(O)c1 ZINC000286711061 385693137 /nfs/dbraw/zinc/69/31/37/385693137.db2.gz IIBSTUOCXNXBKS-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccccc2O)C1(C)C ZINC000273764074 385694168 /nfs/dbraw/zinc/69/41/68/385694168.db2.gz VEZGBYMOUFUSCQ-KGLIPLIRSA-N 0 0 289.375 2.650 20 10 CFCDRN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000286867614 385727955 /nfs/dbraw/zinc/72/79/55/385727955.db2.gz HANSEDNNMJCJIE-BXKDBHETSA-N 0 0 284.787 2.611 20 10 CFCDRN COc1ccc(O)c(CN2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000179937898 393471829 /nfs/dbraw/zinc/47/18/29/393471829.db2.gz GSCZZGOKWHEFLV-AWEZNQCLSA-N 0 0 287.363 2.851 20 10 CFCDRN Cc1ccc(O)c(CN(C)Cc2cn3c(n2)CCCC3)c1 ZINC000373882398 393476126 /nfs/dbraw/zinc/47/61/26/393476126.db2.gz PUXOATKXWVUGDB-UHFFFAOYSA-N 0 0 285.391 2.865 20 10 CFCDRN Cc1noc2ncnc(NCc3ccc4c(c3)CCN4C)c12 ZINC000374489964 393497414 /nfs/dbraw/zinc/49/74/14/393497414.db2.gz UVLNLOBBIAYEAN-UHFFFAOYSA-N 0 0 295.346 2.531 20 10 CFCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1ccc(F)cc1 ZINC000181904172 393503802 /nfs/dbraw/zinc/50/38/02/393503802.db2.gz BTODOGSZBSFXQA-FARCUNLSSA-N 0 0 272.279 2.603 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H](C)C(C)C)c1O ZINC000105650020 393864505 /nfs/dbraw/zinc/86/45/05/393864505.db2.gz OKRSXQMDSZXYDD-LLVKDONJSA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1nn(C)c(Cl)c1CN(C)c1ccc2c(c1)OCO2 ZINC000121327645 393953276 /nfs/dbraw/zinc/95/32/76/393953276.db2.gz DNPBOHBYZVKIIC-UHFFFAOYSA-N 0 0 293.754 2.747 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2CCOC2=O)cc1Cl ZINC000121844583 393961592 /nfs/dbraw/zinc/96/15/92/393961592.db2.gz HQDPCKPGAQQWDF-SNVBAGLBSA-N 0 0 283.755 2.738 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ncccc1C ZINC000492568877 394071866 /nfs/dbraw/zinc/07/18/66/394071866.db2.gz TWKOZQCFWHGGMB-VOTSOKGWSA-N 0 0 285.322 2.990 20 10 CFCDRN COc1ncc(/C=C/C(=O)N(C)c2cccc(C)c2C)cn1 ZINC000492651299 394073698 /nfs/dbraw/zinc/07/36/98/394073698.db2.gz ORRGYKFJLLWLAM-CMDGGOBGSA-N 0 0 297.358 2.778 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CCC2)c2ccccc21 ZINC000492856315 394082890 /nfs/dbraw/zinc/08/28/90/394082890.db2.gz BQTMEYWQCNIPGP-VOTSOKGWSA-N 0 0 279.343 2.891 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281855089 394084251 /nfs/dbraw/zinc/08/42/51/394084251.db2.gz YQCPOHGLANTVMD-SECBINFHSA-N 0 0 286.278 2.825 20 10 CFCDRN C[C@](O)(COc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000281857162 394085023 /nfs/dbraw/zinc/08/50/23/394085023.db2.gz MQCBLYBZYDHQFA-ZDUSSCGKSA-N 0 0 289.297 2.979 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc(F)n1 ZINC000493084081 394143051 /nfs/dbraw/zinc/14/30/51/394143051.db2.gz KQKWREURNUQRGB-SOFGYWHQSA-N 0 0 291.713 2.945 20 10 CFCDRN CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000287783608 394210051 /nfs/dbraw/zinc/21/00/51/394210051.db2.gz SHQDYUMVWQPMFN-GFCCVEGCSA-N 0 0 298.770 2.537 20 10 CFCDRN Cn1ccc(/C=C\C(=O)N2CCCc3cccc(O)c32)c1 ZINC000493392863 394230142 /nfs/dbraw/zinc/23/01/42/394230142.db2.gz SPYRJSYFICNVKF-FPLPWBNLSA-N 0 0 282.343 2.723 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCOc2cc(F)ccc21 ZINC000493664073 394303730 /nfs/dbraw/zinc/30/37/30/394303730.db2.gz RCPYDUIKIXKQJW-DUXPYHPUSA-N 0 0 290.319 2.721 20 10 CFCDRN CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000296464393 394309396 /nfs/dbraw/zinc/30/93/96/394309396.db2.gz NLISVWYDUDVKSJ-QMMMGPOBSA-N 0 0 296.321 2.763 20 10 CFCDRN CCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000649572271 395528423 /nfs/dbraw/zinc/52/84/23/395528423.db2.gz QHPYFBPPXXEHJL-UHFFFAOYSA-N 0 0 286.375 2.665 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](CC(C)C)C2)c(O)c1O ZINC000179530855 292063779 /nfs/dbraw/zinc/06/37/79/292063779.db2.gz FZUMCVHRJGVAKF-GFCCVEGCSA-N 0 0 277.364 2.914 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nnc(C)o1 ZINC000270884866 286388854 /nfs/dbraw/zinc/38/88/54/286388854.db2.gz OCMRXJFJINDUBV-UHFFFAOYSA-N 0 0 273.336 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(F)c(F)c1[O-] ZINC000364797827 287061390 /nfs/dbraw/zinc/06/13/90/287061390.db2.gz IQFNXPDXEPOTCK-NXEZZACHSA-N 0 0 293.317 2.533 20 10 CFCDRN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F ZINC000005234377 170077939 /nfs/dbraw/zinc/07/79/39/170077939.db2.gz WVWICQONQMZYBX-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN Cc1ccc(F)cc1NC(=O)Cc1ccc(N)cc1 ZINC000022222352 171378618 /nfs/dbraw/zinc/37/86/18/171378618.db2.gz HNQMVYCVAGDXEG-UHFFFAOYSA-N 0 0 258.296 2.898 20 10 CFCDRN COC[C@H](COc1ccc2c(c1)c(C)c(C)n2C)OC ZINC000664097994 413566171 /nfs/dbraw/zinc/56/61/71/413566171.db2.gz IAFJXQCSDGHTQZ-CQSZACIVSA-N 0 0 277.364 2.835 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000042828411 174889632 /nfs/dbraw/zinc/88/96/32/174889632.db2.gz IEFAWWVQMRGIGK-OCCSQVGLSA-N 0 0 260.381 2.754 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](F)C1 ZINC000334682145 225248366 /nfs/dbraw/zinc/24/83/66/225248366.db2.gz BTSFMUPYDJZNJC-LBPRGKRZSA-N 0 0 289.354 2.740 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccn1 ZINC000348696756 226506887 /nfs/dbraw/zinc/50/68/87/226506887.db2.gz FKCAYWQFERNKFQ-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN COC(=O)c1cnc(-c2cc(C)cnc2F)c2ccn(C)c21 ZINC001243163987 782026712 /nfs/dbraw/zinc/02/67/12/782026712.db2.gz QPQAFPIEMSXSPO-UHFFFAOYSA-N 0 0 299.305 2.869 20 10 CFCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)c1cccs1 ZINC000152519130 261065093 /nfs/dbraw/zinc/06/50/93/261065093.db2.gz ITZHOYAYIZTHFA-LLVKDONJSA-N 0 0 274.389 2.793 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc(OC)cc1 ZINC000491169505 261357253 /nfs/dbraw/zinc/35/72/53/261357253.db2.gz YWJIBRVVIUWMMU-WTKPLQERSA-N 0 0 283.331 2.552 20 10 CFCDRN O=C(NCc1ccccc1O)[C@]1(c2ccccc2)CCCO1 ZINC000934935329 649858208 /nfs/dbraw/zinc/85/82/08/649858208.db2.gz IGWDMKRAWQXMCV-GOSISDBHSA-N 0 0 297.354 2.714 20 10 CFCDRN C[C@]1(C(=O)NCc2ccccc2O)CCOc2ccccc21 ZINC000934935897 649858594 /nfs/dbraw/zinc/85/85/94/649858594.db2.gz NTBHNJQQGNBQMX-SFHVURJKSA-N 0 0 297.354 2.749 20 10 CFCDRN Cc1ccccc1[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000934938381 649859039 /nfs/dbraw/zinc/85/90/39/649859039.db2.gz AMFMRJPUUSCZAG-CYBMUJFWSA-N 0 0 299.370 2.869 20 10 CFCDRN COc1cccc(CNC(=O)CCC2(C)CC2)c1O ZINC000934941503 649859314 /nfs/dbraw/zinc/85/93/14/649859314.db2.gz ZYKDYKVHDZTRRD-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCC2(C)CC2)c1 ZINC000934944050 649859879 /nfs/dbraw/zinc/85/98/79/649859879.db2.gz XHXOROKLNXQNJC-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN Cc1cccc(CN2CCOC[C@H]2c2ccco2)c1O ZINC000367740664 267114723 /nfs/dbraw/zinc/11/47/23/267114723.db2.gz MSKBLZMJLZFYRY-AWEZNQCLSA-N 0 0 273.332 2.867 20 10 CFCDRN OC[C@@H]1Cc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC000367795650 267118094 /nfs/dbraw/zinc/11/80/94/267118094.db2.gz HPAVQDYHCABAPP-GFCCVEGCSA-N 0 0 287.334 2.703 20 10 CFCDRN CN1CCc2cc(CNc3ccnc4c3cnn4C)ccc21 ZINC000367807629 267118774 /nfs/dbraw/zinc/11/87/74/267118774.db2.gz ZNGDYKOYHWSMRQ-UHFFFAOYSA-N 0 0 293.374 2.573 20 10 CFCDRN COc1ccc(O)c(CN2C[C@@H](CO)Cc3ccccc32)c1 ZINC000367798505 267118846 /nfs/dbraw/zinc/11/88/46/267118846.db2.gz QSWBDADQRJAQIF-ZDUSSCGKSA-N 0 0 299.370 2.572 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c(O)c1O ZINC000367879376 267124238 /nfs/dbraw/zinc/12/42/38/267124238.db2.gz PIRIIYRNOCRGEL-NSHDSACASA-N 0 0 287.315 2.629 20 10 CFCDRN Fc1cncc(C2=CCN(c3cncc(Cl)n3)CC2)c1 ZINC000369696694 267259307 /nfs/dbraw/zinc/25/93/07/267259307.db2.gz YFTSIFAMPXMUSK-UHFFFAOYSA-N 0 0 290.729 2.958 20 10 CFCDRN Cc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2C)c(O)c1O ZINC000370632343 267332452 /nfs/dbraw/zinc/33/24/52/267332452.db2.gz ZPPPUMOOIZTHND-NSHDSACASA-N 0 0 275.348 2.811 20 10 CFCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2c(O)cccc21 ZINC000283228937 274297523 /nfs/dbraw/zinc/29/75/23/274297523.db2.gz STLWQUCOWFMYRS-MVIFTORASA-N 0 0 283.331 2.669 20 10 CFCDRN COc1ccc(O)c(CN2CCOCc3ccccc32)c1 ZINC000291693515 277422355 /nfs/dbraw/zinc/42/23/55/277422355.db2.gz YGSBVGLSONSGIF-UHFFFAOYSA-N 0 0 285.343 2.938 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287113574 288041090 /nfs/dbraw/zinc/04/10/90/288041090.db2.gz QRWHMTWLJGCNRV-LBPRGKRZSA-N 0 0 256.777 2.648 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]1c1ccccc1 ZINC000187148246 288045694 /nfs/dbraw/zinc/04/56/94/288045694.db2.gz YUOHVNFKBPRYSY-ABAIWWIYSA-N 0 0 283.327 2.931 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(F)cc1[O-] ZINC000286310128 288077461 /nfs/dbraw/zinc/07/74/61/288077461.db2.gz XBRNZMHPGPDNQF-RISCZKNCSA-N 0 0 294.370 2.583 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])[C@@H](O)C(F)F ZINC000296269973 288081182 /nfs/dbraw/zinc/08/11/82/288081182.db2.gz DOVGKQOUZJSQMV-PUQNFTFYSA-N 0 0 295.276 2.726 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000282299395 279540243 /nfs/dbraw/zinc/54/02/43/279540243.db2.gz COXHYKTWWHHCQC-HZMBPMFUSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000294797443 281087339 /nfs/dbraw/zinc/08/73/39/281087339.db2.gz DUYAKXFYLUMHGK-WCQYABFASA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000126529551 289021664 /nfs/dbraw/zinc/02/16/64/289021664.db2.gz WLDMCNZQRSZEST-NEPJUHHUSA-N 0 0 266.360 2.501 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365440 293622847 /nfs/dbraw/zinc/62/28/47/293622847.db2.gz BFYPFJIQZRWENR-RIEGTJTDSA-N 0 0 294.351 2.909 20 10 CFCDRN Cc1ccc(C(=O)N2CCC23CCCCC3)c(O)c1O ZINC000364615651 301497094 /nfs/dbraw/zinc/49/70/94/301497094.db2.gz FWYSETIDQZSJCY-UHFFFAOYSA-N 0 0 275.348 2.955 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ncccc2F)s1 ZINC000255282514 326961570 /nfs/dbraw/zinc/96/15/70/326961570.db2.gz XZUOKJYHCFTODK-WAYWQWQTSA-N 0 0 277.324 2.662 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000255604581 326998230 /nfs/dbraw/zinc/99/82/30/326998230.db2.gz AWKXWLKVJCDYBK-HJWRWDBZSA-N 0 0 299.349 2.963 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCCc2cc(F)ccc21 ZINC000491120987 332152414 /nfs/dbraw/zinc/15/24/14/332152414.db2.gz RZRTZQSASIWCTR-GQCTYLIASA-N 0 0 283.306 2.608 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2cnccn2)c1 ZINC000491153092 332157216 /nfs/dbraw/zinc/15/72/16/332157216.db2.gz YIEANRFQWUXSCX-SNAWJCMRSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2cccc(F)c21 ZINC000492189878 332386437 /nfs/dbraw/zinc/38/64/37/332386437.db2.gz XQNLIJCYOZAWGG-SNAWJCMRSA-N 0 0 286.281 2.962 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1OC ZINC000492403864 332395818 /nfs/dbraw/zinc/39/58/18/332395818.db2.gz ZYLHVFOSJSKRLJ-CMDGGOBGSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2ncccc21 ZINC000492415641 332396444 /nfs/dbraw/zinc/39/64/44/332396444.db2.gz LBLHEUYSXZWCRL-SZZPACECSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ncccc1F ZINC000492416321 332396523 /nfs/dbraw/zinc/39/65/23/332396523.db2.gz MVYDMPRAAIBSLN-AATRIKPKSA-N 0 0 271.295 2.600 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1cccc(OC)c1 ZINC000492433811 332397245 /nfs/dbraw/zinc/39/72/45/332397245.db2.gz CJWVAFHIYPOXSP-FPLPWBNLSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc(Cl)nn1 ZINC000492455922 332398302 /nfs/dbraw/zinc/39/83/02/332398302.db2.gz LBHPIQSCKBLJIF-UTCJRWHESA-N 0 0 288.738 2.510 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccnc2N(C)C)cn1 ZINC000492466042 332398904 /nfs/dbraw/zinc/39/89/04/332398904.db2.gz ANLFBIKJJMOFFZ-KTKRTIGZSA-N 0 0 296.374 2.527 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528827024 333460641 /nfs/dbraw/zinc/46/06/41/333460641.db2.gz QLZXRLUZKMNWNE-ZDUSSCGKSA-N 0 0 291.391 2.944 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC12CC2 ZINC000528994700 333468063 /nfs/dbraw/zinc/46/80/63/333468063.db2.gz BWMCPKTVZIHWMS-YPMHNXCESA-N 0 0 289.375 2.725 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCC23CC3)c(O)c1 ZINC000529227808 333478277 /nfs/dbraw/zinc/47/82/77/333478277.db2.gz LUJYYBOXINEIQX-CYBMUJFWSA-N 0 0 275.348 2.597 20 10 CFCDRN O=C(NCC[C@H]1CC=CCC1)c1cccc(O)c1O ZINC000529868306 333512389 /nfs/dbraw/zinc/51/23/89/333512389.db2.gz QCCRRVZBVPUCDG-NSHDSACASA-N 0 0 261.321 2.574 20 10 CFCDRN CN1CCN(C(=O)/C=C/c2cccnc2)c2cc(F)ccc21 ZINC000081075217 334178071 /nfs/dbraw/zinc/17/80/71/334178071.db2.gz WTSJHOSQYBCSTP-QPJJXVBHSA-N 0 0 297.333 2.717 20 10 CFCDRN C[C@H]1C(=O)Nc2ncnc(-c3cc4ccccc4n3C)c21 ZINC001243351175 782151012 /nfs/dbraw/zinc/15/10/12/782151012.db2.gz CLJRQJICKRHMIV-SECBINFHSA-N 0 0 278.315 2.691 20 10 CFCDRN Cn1ccc(-c2ccc(-c3cccnc3)nc2)cc1=O ZINC001240985738 782151720 /nfs/dbraw/zinc/15/17/20/782151720.db2.gz IRWKOJRSJYVNGZ-UHFFFAOYSA-N 0 0 263.300 2.509 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286150854 522146546 /nfs/dbraw/zinc/14/65/46/522146546.db2.gz PKWIEYKBDASRMU-BXUZGUMPSA-N 0 0 269.360 2.981 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@@H]1C ZINC000350081796 533971260 /nfs/dbraw/zinc/97/12/60/533971260.db2.gz PMRVTRIOWNKOAK-GWCFXTLKSA-N 0 0 271.364 2.694 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CO)c1O ZINC000050152221 518279879 /nfs/dbraw/zinc/27/98/79/518279879.db2.gz SAEHNOHGQBCPNJ-CYBMUJFWSA-N 0 0 297.782 2.595 20 10 CFCDRN CC(C)(C)OC(=O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182445187 518788678 /nfs/dbraw/zinc/78/86/78/518788678.db2.gz HMHNXQWAKZOTFX-UHFFFAOYSA-N 0 0 285.771 2.867 20 10 CFCDRN CC(C)(F)C(=O)NCc1cccc(Br)c1O ZINC000277530753 519289864 /nfs/dbraw/zinc/28/98/64/519289864.db2.gz MMEBJWJCZFFBLB-UHFFFAOYSA-N 0 0 290.132 2.519 20 10 CFCDRN CC(=O)C(=O)COc1ccc(OCC2CC2)c(Cl)c1 ZINC000292778337 519357529 /nfs/dbraw/zinc/35/75/29/519357529.db2.gz YDQPRLQPJUFLGI-UHFFFAOYSA-N 0 0 282.723 2.666 20 10 CFCDRN CC(C)=CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276616359 519439570 /nfs/dbraw/zinc/43/95/70/519439570.db2.gz CYVZYEAAWRYJDJ-SNVBAGLBSA-N 0 0 250.298 2.917 20 10 CFCDRN CC(C)OCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745383 519764594 /nfs/dbraw/zinc/76/45/94/519764594.db2.gz MALAHOZOIXWBHK-LLVKDONJSA-N 0 0 255.333 2.997 20 10 CFCDRN CC(C)Oc1cc(NCc2ccccc2O)ncn1 ZINC000228428320 519778123 /nfs/dbraw/zinc/77/81/23/519778123.db2.gz UMHXPLPZIKUTLG-UHFFFAOYSA-N 0 0 259.309 2.582 20 10 CFCDRN CCCC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181196046 519888974 /nfs/dbraw/zinc/88/89/74/519888974.db2.gz ONAKGHPLMCJYCE-GQCTYLIASA-N 0 0 275.348 2.808 20 10 CFCDRN CCOC[C@H](NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000191826887 520142045 /nfs/dbraw/zinc/14/20/45/520142045.db2.gz OKKUWMFSXWLFCL-AWEZNQCLSA-N 0 0 294.395 2.595 20 10 CFCDRN CCOCc1cc(CNCC(F)(F)F)ccc1OC ZINC000276497499 520185903 /nfs/dbraw/zinc/18/59/03/520185903.db2.gz RGJRCHLDJVEQCX-UHFFFAOYSA-N 0 0 277.286 2.884 20 10 CFCDRN CCCOc1ccc(CNc2cnccn2)c(O)c1 ZINC000192152338 520377377 /nfs/dbraw/zinc/37/73/77/520377377.db2.gz RRPSYCPSMFOOON-UHFFFAOYSA-N 0 0 259.309 2.583 20 10 CFCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C1CC1 ZINC000291897874 520415357 /nfs/dbraw/zinc/41/53/57/520415357.db2.gz KMGAJZRIZLYFNZ-KZJSRBBCSA-N 0 0 287.359 2.758 20 10 CFCDRN CC1=CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000280727743 520856715 /nfs/dbraw/zinc/85/67/15/520856715.db2.gz VLXVAGOUARNNGF-UHFFFAOYSA-N 0 0 273.380 2.614 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NC(C)C)cc1 ZINC000055328989 520898134 /nfs/dbraw/zinc/89/81/34/520898134.db2.gz HVUKQQGUFCMVIA-UHFFFAOYSA-N 0 0 263.385 2.740 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCOC2)cc1 ZINC000170794328 520902977 /nfs/dbraw/zinc/90/29/77/520902977.db2.gz XDHACQZKSMRGPG-HNNXBMFYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCOC(=O)[C@@H](C)N(Cc1cc(C)ccc1O)C1CC1 ZINC000191708666 521010266 /nfs/dbraw/zinc/01/02/66/521010266.db2.gz KVHOKAWDBSPEPA-GFCCVEGCSA-N 0 0 277.364 2.617 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nnc(C)[nH]2)cc1 ZINC000292528748 521027812 /nfs/dbraw/zinc/02/78/12/521027812.db2.gz OVGVRAASNKCMSD-UHFFFAOYSA-N 0 0 260.341 2.538 20 10 CFCDRN CCCC[C@H](CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000158946653 521160957 /nfs/dbraw/zinc/16/09/57/521160957.db2.gz FQELESFCBOGSRK-LBPRGKRZSA-N 0 0 265.353 2.930 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC1CC1 ZINC000069238668 521289528 /nfs/dbraw/zinc/28/95/28/521289528.db2.gz MFUGWJFYCDDNAM-UHFFFAOYSA-N 0 0 265.328 2.966 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H](C)OC ZINC000272849807 521318460 /nfs/dbraw/zinc/31/84/60/521318460.db2.gz QAMZJRUVMYZIBM-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1 ZINC000052851225 521320898 /nfs/dbraw/zinc/32/08/98/521320898.db2.gz RVTBSNBJPJDOBC-UHFFFAOYSA-N 0 0 283.375 2.810 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncccn1 ZINC000301768635 521321030 /nfs/dbraw/zinc/32/10/30/521321030.db2.gz OMPLZMQDMKXYAI-UHFFFAOYSA-N 0 0 256.353 2.569 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1 ZINC000052851214 521321444 /nfs/dbraw/zinc/32/14/44/521321444.db2.gz DQHAQWUQLVCOAS-UHFFFAOYSA-N 0 0 283.375 2.810 20 10 CFCDRN CCCCc1nnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000236916279 521324560 /nfs/dbraw/zinc/32/45/60/521324560.db2.gz WHVKBZQFCFVEDU-UHFFFAOYSA-N 0 0 290.392 2.644 20 10 CFCDRN CCC(CC)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000049740522 521497485 /nfs/dbraw/zinc/49/74/85/521497485.db2.gz JWNXMKUCAIHCNB-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCCc1ncc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000236941682 521549897 /nfs/dbraw/zinc/54/98/97/521549897.db2.gz CXCMEWUCUSMPOF-UHFFFAOYSA-N 0 0 289.404 2.650 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000159173190 521626852 /nfs/dbraw/zinc/62/68/52/521626852.db2.gz GUEXJMNSIOQYRL-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC(C)C ZINC000264417919 521687665 /nfs/dbraw/zinc/68/76/65/521687665.db2.gz NEXLJMKVBWLMTQ-UHFFFAOYSA-N 0 0 250.342 2.722 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]1C ZINC000264494894 521688475 /nfs/dbraw/zinc/68/84/75/521688475.db2.gz FDMNBESWFWCWIQ-GXTWGEPZSA-N 0 0 276.380 2.970 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCOCC1 ZINC000366026252 521689055 /nfs/dbraw/zinc/68/90/55/521689055.db2.gz SZOOVCUEJWQVTR-CQSZACIVSA-N 0 0 291.391 2.948 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278616504 521873970 /nfs/dbraw/zinc/87/39/70/521873970.db2.gz FGQQIYHHERKPHE-UHFFFAOYSA-N 0 0 280.324 2.731 20 10 CFCDRN COc1c([O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278314566 521876739 /nfs/dbraw/zinc/87/67/39/521876739.db2.gz XEWNXYYKNISYIV-GHMZBOCLSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278274866 521877101 /nfs/dbraw/zinc/87/71/01/521877101.db2.gz SFRPVRGHEHOKOA-QWRGUYRKSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000278490791 521878632 /nfs/dbraw/zinc/87/86/32/521878632.db2.gz LGMSDMBUECMEIC-JTQLQIEISA-N 0 0 282.340 2.833 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000289660289 521881397 /nfs/dbraw/zinc/88/13/97/521881397.db2.gz CUPOXBTXCHBFOC-NSHDSACASA-N 0 0 280.324 2.587 20 10 CFCDRN CC[C@H](CC(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000182529927 522103632 /nfs/dbraw/zinc/10/36/32/522103632.db2.gz QHGVZIDONNKVGE-GFCCVEGCSA-N 0 0 265.353 2.786 20 10 CFCDRN CC[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483277 522180571 /nfs/dbraw/zinc/18/05/71/522180571.db2.gz SITHGSLFDBZYIU-GFCCVEGCSA-N 0 0 275.396 2.667 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc[nH]c2C2CC2)cc1 ZINC000284677244 522203288 /nfs/dbraw/zinc/20/32/88/522203288.db2.gz ZPQISUVRIPKCIA-UHFFFAOYSA-N 0 0 283.375 2.888 20 10 CFCDRN CN(C)c1ccc(CNc2ncnn2C)c(C(F)(F)F)c1 ZINC000280076419 522214355 /nfs/dbraw/zinc/21/43/55/522214355.db2.gz QPHQNINJXBIJAN-UHFFFAOYSA-N 0 0 299.300 2.512 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CC[C@@H](C)O2)s1 ZINC000295343818 522341967 /nfs/dbraw/zinc/34/19/67/522341967.db2.gz QDOWDQVYJGNONV-HTQZYQBOSA-N 0 0 273.379 2.589 20 10 CFCDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286299397 522396500 /nfs/dbraw/zinc/39/65/00/522396500.db2.gz WPFAMLDLJNOJRM-RIEGTJTDSA-N 0 0 269.360 2.979 20 10 CFCDRN COc1cc(N(C)CC[C@H]2CCCO2)cc(OC)c1OC ZINC000189398248 522619198 /nfs/dbraw/zinc/61/91/98/522619198.db2.gz ABIUIAIQKIIFHO-CYBMUJFWSA-N 0 0 295.379 2.718 20 10 CFCDRN CC[C@@H](N[C@H](C)c1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000275723348 522941353 /nfs/dbraw/zinc/94/13/53/522941353.db2.gz OBXNKBWTCNSYRW-IUODEOHRSA-N 0 0 287.411 2.683 20 10 CFCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000279711830 523183647 /nfs/dbraw/zinc/18/36/47/523183647.db2.gz AVOJNXYLOUWXTR-OLZOCXBDSA-N 0 0 277.364 2.930 20 10 CFCDRN COCc1nc(CNCc2cc(C)ccc2O)cs1 ZINC000289799669 523199601 /nfs/dbraw/zinc/19/96/01/523199601.db2.gz LZOOLKKXJFKCOW-UHFFFAOYSA-N 0 0 278.377 2.593 20 10 CFCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276184790 523445814 /nfs/dbraw/zinc/44/58/14/523445814.db2.gz VVRPIDXIJGWSHK-CIUDSAMLSA-N 0 0 259.296 2.744 20 10 CFCDRN CC[C@](C)(OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360311210 523515858 /nfs/dbraw/zinc/51/58/58/523515858.db2.gz STHLGGQSFPHUSA-KRWDZBQOSA-N 0 0 288.391 2.918 20 10 CFCDRN CCn1cnc2c1ncnc2NCc1ccc(N(C)C)cc1 ZINC000299646357 523572509 /nfs/dbraw/zinc/57/25/09/523572509.db2.gz UJFKPMFJXMTPJE-UHFFFAOYSA-N 0 0 296.378 2.524 20 10 CFCDRN CO[C@@H]1CCC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000279955074 523642340 /nfs/dbraw/zinc/64/23/40/523642340.db2.gz PGULDNYKDQDEEA-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN COCCN(Cc1c(O)cccc1Cl)CC(F)F ZINC000130217347 523739914 /nfs/dbraw/zinc/73/99/14/523739914.db2.gz GEVPYMWPICIRPD-UHFFFAOYSA-N 0 0 279.714 2.759 20 10 CFCDRN CC[C@H](C)CONC(=O)NCc1ccc(N(C)C)cc1 ZINC000291746959 523889020 /nfs/dbraw/zinc/88/90/20/523889020.db2.gz SRWJDEWXZONZEW-LBPRGKRZSA-N 0 0 279.384 2.530 20 10 CFCDRN COC(=O)[C@H](Cc1ccccc1)NCc1cccc(C)c1O ZINC000276500218 523911727 /nfs/dbraw/zinc/91/17/27/523911727.db2.gz RQFUTCPGNPBMBL-INIZCTEOSA-N 0 0 299.370 2.575 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000293520474 523950307 /nfs/dbraw/zinc/95/03/07/523950307.db2.gz CYBQNEWXXXJZOZ-CYBMUJFWSA-N 0 0 275.751 2.945 20 10 CFCDRN CC[C@H](C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191599627 523971119 /nfs/dbraw/zinc/97/11/19/523971119.db2.gz XKCDGVADCCNWQI-ZDUSSCGKSA-N 0 0 278.396 2.825 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172690834 523979018 /nfs/dbraw/zinc/97/90/18/523979018.db2.gz NHZBOBDUHAQVTF-ZDUSSCGKSA-N 0 0 273.380 2.661 20 10 CFCDRN COCCOc1ccc(NCc2cc(F)ccc2O)cn1 ZINC000226617328 524050248 /nfs/dbraw/zinc/05/02/48/524050248.db2.gz PKENRWOWQVWSEX-UHFFFAOYSA-N 0 0 292.310 2.564 20 10 CFCDRN C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1O ZINC000299539516 524258374 /nfs/dbraw/zinc/25/83/74/524258374.db2.gz VCWUUKISIFTEFM-GFCCVEGCSA-N 0 0 288.347 2.806 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CCCCO2)cc1F ZINC000193066001 524352388 /nfs/dbraw/zinc/35/23/88/524352388.db2.gz DHYVUJWJWNPZJQ-OAHLLOKOSA-N 0 0 283.343 2.814 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCC=CO2)cc1F ZINC000194602296 524353498 /nfs/dbraw/zinc/35/34/98/524353498.db2.gz TXRWLIWNARITQJ-GFCCVEGCSA-N 0 0 251.301 2.963 20 10 CFCDRN COc1ccccc1C(C)(C)C(=O)NCc1ccccc1O ZINC000269112774 524361914 /nfs/dbraw/zinc/36/19/14/524361914.db2.gz HYSXJNQXYXGKFR-UHFFFAOYSA-N 0 0 299.370 2.995 20 10 CFCDRN COc1ccc(N2CCC(Nc3cc(C)ncn3)CC2)cc1 ZINC000301278554 524404473 /nfs/dbraw/zinc/40/44/73/524404473.db2.gz XCTZTXRUEFLEMJ-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN COc1ccc(N2CCCN(CC(F)(F)F)CC2)cc1 ZINC000079944193 524406340 /nfs/dbraw/zinc/40/63/40/524406340.db2.gz CQITYXRRAXJEHR-UHFFFAOYSA-N 0 0 288.313 2.770 20 10 CFCDRN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000276106753 524466101 /nfs/dbraw/zinc/46/61/01/524466101.db2.gz HBXZPRXSBLOAFO-HNNXBMFYSA-N 0 0 289.350 2.533 20 10 CFCDRN Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000237515085 524778312 /nfs/dbraw/zinc/77/83/12/524778312.db2.gz VWMHQSAZQGOITA-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN C[C@H]1C[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000335834049 524952476 /nfs/dbraw/zinc/95/24/76/524952476.db2.gz LCZAZBZRZMNBSI-RYUDHWBXSA-N 0 0 274.364 2.524 20 10 CFCDRN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271883790 525183479 /nfs/dbraw/zinc/18/34/79/525183479.db2.gz RNIQNTBSNQOAPY-HIFRSBDPSA-N 0 0 290.407 2.526 20 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283.393 2.751 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280109345 525419046 /nfs/dbraw/zinc/41/90/46/525419046.db2.gz OUCLCJQBOWKAJW-VHSXEESVSA-N 0 0 282.365 2.704 20 10 CFCDRN Cc1c(/C=C/C(=O)N2C[C@@H](C)Oc3ccccc32)cnn1C ZINC000270241375 525517100 /nfs/dbraw/zinc/51/71/00/525517100.db2.gz SFWQSNRZIVWFOF-IDVQTMNDSA-N 0 0 297.358 2.556 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000164738663 525533118 /nfs/dbraw/zinc/53/31/18/525533118.db2.gz JLBWUHQYVQNZRE-KOLCDFICSA-N 0 0 255.745 2.560 20 10 CFCDRN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1ncn(C)n1 ZINC000275810447 525657144 /nfs/dbraw/zinc/65/71/44/525657144.db2.gz ZLOJHAMKOCXWOS-RKDXNWHRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@H](Nc1ncnc(N)c1Cl)c1ccc(N(C)C)cc1 ZINC000302826089 525685397 /nfs/dbraw/zinc/68/53/97/525685397.db2.gz HDQZAGQAXBAANZ-VIFPVBQESA-N 0 0 291.786 2.951 20 10 CFCDRN Cc1ccnc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000265546396 525696713 /nfs/dbraw/zinc/69/67/13/525696713.db2.gz PVSYSMJGSMBVGG-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273540866 525707535 /nfs/dbraw/zinc/70/75/35/525707535.db2.gz YEGQJABGCHHKSR-QWRGUYRKSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c(O)c1C ZINC000275726829 525741972 /nfs/dbraw/zinc/74/19/72/525741972.db2.gz ONLGKWJTQHKHTK-NEPJUHHUSA-N 0 0 274.368 2.549 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cccc(F)c1[O-])C1CCCCC1 ZINC000276807394 525776772 /nfs/dbraw/zinc/77/67/72/525776772.db2.gz NNSRXVYHWYJVKX-MRXNPFEDSA-N 0 0 281.371 2.952 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000276924162 525782855 /nfs/dbraw/zinc/78/28/55/525782855.db2.gz MZZASZKBFVCQAG-SKDRFNHKSA-N 0 0 297.301 2.956 20 10 CFCDRN Cc1ccsc1CNC(=O)CSc1nccs1 ZINC000096999744 525852908 /nfs/dbraw/zinc/85/29/08/525852908.db2.gz QGQLDEPRDLRBFO-UHFFFAOYSA-N 0 0 284.431 2.922 20 10 CFCDRN CS[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159832 525854645 /nfs/dbraw/zinc/85/46/45/525854645.db2.gz PZBQEBZBUAHCLM-SNVBAGLBSA-N 0 0 279.405 2.639 20 10 CFCDRN COc1cccc(CNC(=O)C(C)(C)c2ccccc2)c1O ZINC000131293228 525963525 /nfs/dbraw/zinc/96/35/25/525963525.db2.gz SNWIJBIVGXURSI-UHFFFAOYSA-N 0 0 299.370 2.995 20 10 CFCDRN COc1cccc(CNC(=O)NCC2(C(C)C)CC2)c1O ZINC000176351150 525985727 /nfs/dbraw/zinc/98/57/27/525985727.db2.gz WLARWPGRXIOWAR-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000302037425 526091905 /nfs/dbraw/zinc/09/19/05/526091905.db2.gz VHCSLHVHPMSKCP-UHFFFAOYSA-N 0 0 289.404 2.900 20 10 CFCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000174517600 526183428 /nfs/dbraw/zinc/18/34/28/526183428.db2.gz ZPTCGRSHMPMZKY-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN Cc1nn(Cc2ccc(N(C)C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000292559755 526292280 /nfs/dbraw/zinc/29/22/80/526292280.db2.gz BQKQCWPHLPHZJV-UHFFFAOYSA-N 0 0 288.351 2.831 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCSC1 ZINC000228559123 526328526 /nfs/dbraw/zinc/32/85/26/526328526.db2.gz HHYQWWNDUPDMAP-SECBINFHSA-N 0 0 257.786 2.888 20 10 CFCDRN Oc1cc2c(cc1CN[C@H](C1CC1)C(F)(F)F)OCO2 ZINC000288394170 526336893 /nfs/dbraw/zinc/33/68/93/526336893.db2.gz HIXKEBVQTDECME-GFCCVEGCSA-N 0 0 289.253 2.551 20 10 CFCDRN Oc1ccc(F)cc1CNCc1noc2c1CCCC2 ZINC000290071053 526350900 /nfs/dbraw/zinc/35/09/00/526350900.db2.gz FWCXDDUVJVJMFX-UHFFFAOYSA-N 0 0 276.311 2.688 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccnc1 ZINC000174513775 526636964 /nfs/dbraw/zinc/63/69/64/526636964.db2.gz URSNTQDPRUQWCX-UHFFFAOYSA-N 0 0 282.343 2.596 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccoc1 ZINC000075160142 526637020 /nfs/dbraw/zinc/63/70/20/526637020.db2.gz VRNYFMAZQYWAER-UHFFFAOYSA-N 0 0 271.316 2.794 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)C1CC=CC1 ZINC000277570817 526710525 /nfs/dbraw/zinc/71/05/25/526710525.db2.gz QOXCTCYGNDQYRP-UHFFFAOYSA-N 0 0 296.164 2.737 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@H]1CC=CCC1 ZINC000263773273 526754296 /nfs/dbraw/zinc/75/42/96/526754296.db2.gz UMXPVZBCOJYKLT-LBPRGKRZSA-N 0 0 260.337 2.548 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc([C@H]2CCOC2)c1 ZINC000270729536 526755210 /nfs/dbraw/zinc/75/52/10/526755210.db2.gz GYVRAOGMFYPHJB-INIZCTEOSA-N 0 0 297.354 2.826 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277610627 526771614 /nfs/dbraw/zinc/77/16/14/526771614.db2.gz PVXTVCXFFPVFOE-QMMMGPOBSA-N 0 0 289.253 2.512 20 10 CFCDRN Cc1ocnc1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378369059 526834166 /nfs/dbraw/zinc/83/41/66/526834166.db2.gz JLSICEQVSMEBSS-UHFFFAOYSA-N 0 0 297.358 2.588 20 10 CFCDRN O=C(N[C@H]1CCCc2occc21)c1c(F)ccc(O)c1O ZINC000276751287 527041640 /nfs/dbraw/zinc/04/16/40/527041640.db2.gz WBPHZJLRDRXAEY-JTQLQIEISA-N 0 0 291.278 2.637 20 10 CFCDRN O=[N+]([O-])c1cnc(Sc2nnc(C3CC3)s2)s1 ZINC000192474341 527412536 /nfs/dbraw/zinc/41/25/36/527412536.db2.gz HDPHDLWWRRCPRS-UHFFFAOYSA-N 0 0 286.363 2.931 20 10 CFCDRN Cc1nccn1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276941673 527432861 /nfs/dbraw/zinc/43/28/61/527432861.db2.gz POCSMSPVOMOTRB-SECBINFHSA-N 0 0 281.306 2.526 20 10 CFCDRN FC(F)Oc1ccc2c(c1)CCCN2CCn1cccn1 ZINC000064249386 527696478 /nfs/dbraw/zinc/69/64/78/527696478.db2.gz MVWBJKCUFSSQIH-UHFFFAOYSA-N 0 0 293.317 2.937 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000753897470 574052747 /nfs/dbraw/zinc/05/27/47/574052747.db2.gz VBUJUXCKOXOYGP-UHFFFAOYSA-N 0 0 272.348 2.513 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(Cl)nn2)cc1 ZINC000727856998 574068618 /nfs/dbraw/zinc/06/86/18/574068618.db2.gz ONUPVCNUETZKEA-UHFFFAOYSA-N 0 0 262.744 2.808 20 10 CFCDRN CN(CC[C@@H]1CCCCO1)c1ccc2c(c1)OCO2 ZINC000754076738 574069808 /nfs/dbraw/zinc/06/98/08/574069808.db2.gz WLVPLKCGPHZKTD-ZDUSSCGKSA-N 0 0 263.337 2.811 20 10 CFCDRN CCn1ccnc1CN1CCCc2cc(OC)ccc21 ZINC000728053236 574077913 /nfs/dbraw/zinc/07/79/13/574077913.db2.gz WQPSSQLDYFCVTC-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC(c2ccccn2)CC1 ZINC000754490496 574097924 /nfs/dbraw/zinc/09/79/24/574097924.db2.gz KQXHUQWKOZSRJI-UHFFFAOYSA-N 0 0 288.372 2.869 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cocn1 ZINC000731283518 574115174 /nfs/dbraw/zinc/11/51/74/574115174.db2.gz LJZVURLDMVLBQK-UHFFFAOYSA-N 0 0 289.335 2.502 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C)cc1F ZINC000731405230 574119985 /nfs/dbraw/zinc/11/99/85/574119985.db2.gz YOIZCJOMPURXOC-GFCCVEGCSA-N 0 0 293.386 2.976 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000731864574 574130740 /nfs/dbraw/zinc/13/07/40/574130740.db2.gz XKLMQVQFNJDASP-UHFFFAOYSA-N 0 0 290.388 2.792 20 10 CFCDRN C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC(=O)CS2)C1 ZINC000731870608 574131282 /nfs/dbraw/zinc/13/12/82/574131282.db2.gz RTFXZJWXGGLFIE-LLVKDONJSA-N 0 0 296.436 2.694 20 10 CFCDRN COCc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000731869628 574131328 /nfs/dbraw/zinc/13/13/28/574131328.db2.gz UMAOWWCVZHHULQ-UHFFFAOYSA-N 0 0 277.345 2.530 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)N(C)c1ccccc1 ZINC000731869377 574132568 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/nfs/dbraw/zinc/17/50/91/574175091.db2.gz IJHPFGQEZGFKFQ-UHFFFAOYSA-N 0 0 283.299 2.704 20 10 CFCDRN C[C@H](NC(=O)NCc1ccccc1O)c1cccc(O)c1 ZINC000732886594 574176830 /nfs/dbraw/zinc/17/68/30/574176830.db2.gz IVXQAZAFYZCMAL-NSHDSACASA-N 0 0 286.331 2.658 20 10 CFCDRN CSc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)cc1 ZINC000732940709 574179509 /nfs/dbraw/zinc/17/95/09/574179509.db2.gz XZODAGCJUFTGOL-RUDMXATFSA-N 0 0 287.388 2.818 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccon2)cc1 ZINC000747150160 574181926 /nfs/dbraw/zinc/18/19/26/574181926.db2.gz CHNWKHJTUXZROP-UHFFFAOYSA-N 0 0 287.363 2.793 20 10 CFCDRN COC[C@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000755826069 574190904 /nfs/dbraw/zinc/19/09/04/574190904.db2.gz YATRVRHLFQOGEJ-GFCCVEGCSA-N 0 0 291.391 2.560 20 10 CFCDRN CCc1ncsc1NC(=O)C1=CC(=O)CS1 ZINC000747617583 574203204 /nfs/dbraw/zinc/20/32/04/574203204.db2.gz QZKFIZLZGGCUOD-UHFFFAOYSA-N 0 0 254.336 2.725 20 10 CFCDRN COc1cccc(NC(=S)NCc2cccc(F)n2)c1 ZINC000747722329 574208175 /nfs/dbraw/zinc/20/81/75/574208175.db2.gz RUUSNVCCGVWIRT-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)C[C@@H](C)O2 ZINC000747890667 574218225 /nfs/dbraw/zinc/21/82/25/574218225.db2.gz BGWWGTRHJXBWAX-VUDGCMKMSA-N 0 0 297.358 2.556 20 10 CFCDRN COc1ccc(N(C)Cc2ccccn2)cc1OC ZINC000729542352 574222895 /nfs/dbraw/zinc/22/28/95/574222895.db2.gz GRMBQZCAMRCVCO-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN O=C([O-])c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000756303504 574223506 /nfs/dbraw/zinc/22/35/06/574223506.db2.gz WIHVWXVOTMMGEI-UHFFFAOYSA-N 0 0 283.327 2.610 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCOC1 ZINC000739706587 574223574 /nfs/dbraw/zinc/22/35/74/574223574.db2.gz NPYQEVDAOPPSAQ-HNNXBMFYSA-N 0 0 290.407 2.528 20 10 CFCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1ccccc1O ZINC000733360426 574224487 /nfs/dbraw/zinc/22/44/87/574224487.db2.gz JXZVDDCQUIJPPV-OAHLLOKOSA-N 0 0 277.364 2.746 20 10 CFCDRN Cc1noc([C@@H](C)NCc2cc(Cl)ccc2O)n1 ZINC000729683872 574228790 /nfs/dbraw/zinc/22/87/90/574228790.db2.gz DWHUUFYQWIVVQS-SSDOTTSWSA-N 0 0 267.716 2.588 20 10 CFCDRN COc1ncccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756392707 574233163 /nfs/dbraw/zinc/23/31/63/574233163.db2.gz IYYZZQXWDYYTGT-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN Oc1ccccc1CNC(=S)NCc1ccccc1 ZINC000748160002 574233421 /nfs/dbraw/zinc/23/34/21/574233421.db2.gz YQEGXPDZWBNFMY-UHFFFAOYSA-N 0 0 272.373 2.557 20 10 CFCDRN CC[C@@H](Nc1ccccc1)C(=O)NCc1ccccc1O ZINC000729860900 574233918 /nfs/dbraw/zinc/23/39/18/574233918.db2.gz VQXGFKOXYJRXDG-OAHLLOKOSA-N 0 0 284.359 2.899 20 10 CFCDRN C[C@@H]([NH2+]Cc1cscn1)c1cc(F)cc(F)c1[O-] ZINC000756507815 574242102 /nfs/dbraw/zinc/24/21/02/574242102.db2.gz FWOOWACNLCEOMO-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000756523164 574243493 /nfs/dbraw/zinc/24/34/93/574243493.db2.gz BHMRVFAPEMREGA-GFCCVEGCSA-N 0 0 268.376 2.912 20 10 CFCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756530489 574244249 /nfs/dbraw/zinc/24/42/49/574244249.db2.gz YSEZUKMBIHVNPO-RKDXNWHRSA-N 0 0 259.296 2.746 20 10 CFCDRN CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536900 574244525 /nfs/dbraw/zinc/24/45/25/574244525.db2.gz XEWLESMKFQKROK-RYUDHWBXSA-N 0 0 295.383 2.681 20 10 CFCDRN Cc1ncsc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547663 574245929 /nfs/dbraw/zinc/24/59/29/574245929.db2.gz FSKZHDBFZVDLQA-MRVPVSSYSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756550617 574246464 /nfs/dbraw/zinc/24/64/64/574246464.db2.gz JHAGYHHYEIMNJA-GWCFXTLKSA-N 0 0 296.361 2.805 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)nc1 ZINC000748324770 574247227 /nfs/dbraw/zinc/24/72/27/574247227.db2.gz HOSDXWZPPJOTFM-UHFFFAOYSA-N 0 0 277.711 2.762 20 10 CFCDRN O=C(CCc1cc(F)ccc1F)NCc1ccccc1O ZINC000748345879 574247833 /nfs/dbraw/zinc/24/78/33/574247833.db2.gz FOYXFEYWLSZSSP-UHFFFAOYSA-N 0 0 291.297 2.919 20 10 CFCDRN CCN(CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748345587 574247848 /nfs/dbraw/zinc/24/78/48/574247848.db2.gz NZJAODYPJYGQLV-UHFFFAOYSA-N 0 0 284.359 2.535 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]nc1-c1ccccc1 ZINC000748349151 574248236 /nfs/dbraw/zinc/24/82/36/574248236.db2.gz AOXCKTQINORLFV-UHFFFAOYSA-N 0 0 293.326 2.712 20 10 CFCDRN CCc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756575522 574249280 /nfs/dbraw/zinc/24/92/80/574249280.db2.gz VHOJZXOMCZCPGM-MRVPVSSYSA-N 0 0 281.306 2.807 20 10 CFCDRN C[C@H]([NH2+]CCOc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756574390 574249592 /nfs/dbraw/zinc/24/95/92/574249592.db2.gz VMBWBMMLEGJAJW-JTQLQIEISA-N 0 0 294.301 2.795 20 10 CFCDRN CC(C)[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000740475021 574250652 /nfs/dbraw/zinc/25/06/52/574250652.db2.gz RGZQSXLDZHNXQR-GFCCVEGCSA-N 0 0 295.402 2.983 20 10 CFCDRN O=C([O-])N(CCC[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000740489866 574251183 /nfs/dbraw/zinc/25/11/83/574251183.db2.gz SCJGLNWNPCANLU-UHFFFAOYSA-N 0 0 298.770 2.668 20 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/nfs/dbraw/zinc/25/48/12/574254812.db2.gz BZGWTQYPZWEYJZ-HFBDOXOYSA-N 0 0 296.361 2.804 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cnn(C)c1 ZINC000748578736 574259225 /nfs/dbraw/zinc/25/92/25/574259225.db2.gz WFIMMQBEDHUNRC-VUDGCMKMSA-N 0 0 297.358 2.556 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C2\CC[C@H](C)C2)c1 ZINC000756763610 574261207 /nfs/dbraw/zinc/26/12/07/574261207.db2.gz CQOGMDDWYCREIL-SERMCNLOSA-N 0 0 275.348 2.763 20 10 CFCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1ccc2ccccc2n1 ZINC000740670844 574261273 /nfs/dbraw/zinc/26/12/73/574261273.db2.gz OFLQKJYHDBBEOJ-YFHOEESVSA-N 0 0 292.342 2.645 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cn[nH]c1 ZINC000756776456 574261650 /nfs/dbraw/zinc/26/16/50/574261650.db2.gz PIUSIQZJLSOFHR-SFYZADRCSA-N 0 0 267.279 2.805 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756786403 574262849 /nfs/dbraw/zinc/26/28/49/574262849.db2.gz LCICPSBTVAMTPJ-FIXISWKDSA-N 0 0 267.344 2.997 20 10 CFCDRN 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MGUIZVZAWGRFDL-NLTNOIMHSA-N 0 0 265.328 2.579 20 10 CFCDRN Cc1nc(CNCc2c(O)cccc2F)cs1 ZINC000896640310 619781718 /nfs/dbraw/zinc/78/17/18/619781718.db2.gz JSZMCWYAYVWDFS-UHFFFAOYSA-N 0 0 252.314 2.586 20 10 CFCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)c(OC)c1 ZINC000896640952 619781782 /nfs/dbraw/zinc/78/17/82/619781782.db2.gz NEJLCGVZZQJDAI-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCn2cccc2C1 ZINC000896762195 619809556 /nfs/dbraw/zinc/80/95/56/619809556.db2.gz ZPLZLWJRWSKYKU-UHFFFAOYSA-N 0 0 262.740 2.863 20 10 CFCDRN CN(CCSC(F)(F)F)c1ccc(N)cc1 ZINC000123502560 619959912 /nfs/dbraw/zinc/95/99/12/619959912.db2.gz JDAHRTRKOCDKSZ-UHFFFAOYSA-N 0 0 250.289 2.958 20 10 CFCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000928705470 619995306 /nfs/dbraw/zinc/99/53/06/619995306.db2.gz KKLJXEGECSJWRZ-VIFPVBQESA-N 0 0 253.317 2.830 20 10 CFCDRN CCCC(O)(CCC)CC(=O)NCc1c(O)cccc1F ZINC000928705625 619995339 /nfs/dbraw/zinc/99/53/39/619995339.db2.gz MJMLJQHKWUSLEG-UHFFFAOYSA-N 0 0 297.370 2.869 20 10 CFCDRN CC(C)c1ocnc1C(=O)NCc1c(O)cccc1F ZINC000928706132 619995454 /nfs/dbraw/zinc/99/54/54/619995454.db2.gz RMVRZKWWQSFTLR-UHFFFAOYSA-N 0 0 278.283 2.573 20 10 CFCDRN C[C@H]1CC[C@@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928706789 619995969 /nfs/dbraw/zinc/99/59/69/619995969.db2.gz ZZXDUUFTIDRGGH-WDEREUQCSA-N 0 0 265.328 2.974 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928706786 619996027 /nfs/dbraw/zinc/99/60/27/619996027.db2.gz ZZXDUUFTIDRGGH-MNOVXSKESA-N 0 0 265.328 2.974 20 10 CFCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928707756 619996479 /nfs/dbraw/zinc/99/64/79/619996479.db2.gz HTGWZOJMQIWSQV-RYUDHWBXSA-N 0 0 295.354 2.743 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928708776 619996588 /nfs/dbraw/zinc/99/65/88/619996588.db2.gz TYSGKVZBVFXUPK-XHDPSFHLSA-N 0 0 265.328 2.830 20 10 CFCDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000897594751 620254283 /nfs/dbraw/zinc/25/42/83/620254283.db2.gz UTKNGYAEAJELJH-ICCCGROCSA-N 0 0 289.356 2.841 20 10 CFCDRN Cc1noc(C2(NCc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000897896392 620300195 /nfs/dbraw/zinc/30/01/95/620300195.db2.gz VSKMKQFCSLALKV-UHFFFAOYSA-N 0 0 293.754 2.824 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cncs1 ZINC000897930303 620305347 /nfs/dbraw/zinc/30/53/47/620305347.db2.gz MVYWAYZPXGVGRE-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000897967327 620314466 /nfs/dbraw/zinc/31/44/66/620314466.db2.gz NIOMDVLDUABWOY-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000898216531 620346697 /nfs/dbraw/zinc/34/66/97/620346697.db2.gz YEAPYUZPXJLDAF-UHFFFAOYSA-N 0 0 291.782 2.868 20 10 CFCDRN COc1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898218537 620347096 /nfs/dbraw/zinc/34/70/96/620347096.db2.gz JOGRJUVBGZSCBN-UHFFFAOYSA-N 0 0 284.768 2.801 20 10 CFCDRN C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218191 620347193 /nfs/dbraw/zinc/34/71/93/620347193.db2.gz AFAUHNJICRENAM-ZYHUDNBSSA-N 0 0 296.798 2.583 20 10 CFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cncs1 ZINC000898180232 620347718 /nfs/dbraw/zinc/34/77/18/620347718.db2.gz VTOFQJAEZKVEKT-SECBINFHSA-N 0 0 289.360 2.635 20 10 CFCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cncs1 ZINC000898180418 620348167 /nfs/dbraw/zinc/34/81/67/620348167.db2.gz ZGYYDURGZGMTIW-NXEZZACHSA-N 0 0 291.376 2.970 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000898259825 620359453 /nfs/dbraw/zinc/35/94/53/620359453.db2.gz SEVBJCSTUXYQPA-VHRBIJSZSA-N 0 0 272.348 2.606 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cccnc2)c1 ZINC000898313417 620371605 /nfs/dbraw/zinc/37/16/05/620371605.db2.gz VGCRDGYAYPUBAZ-ZDUSSCGKSA-N 0 0 299.374 2.526 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2cccnc2)c1 ZINC000898313416 620371731 /nfs/dbraw/zinc/37/17/31/620371731.db2.gz VGCRDGYAYPUBAZ-CYBMUJFWSA-N 0 0 299.374 2.526 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CO)CC1 ZINC000080247677 620380501 /nfs/dbraw/zinc/38/05/01/620380501.db2.gz BZTHSAFGPFWZTH-UHFFFAOYSA-N 0 0 276.163 2.561 20 10 CFCDRN CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040672181 620417973 /nfs/dbraw/zinc/41/79/73/620417973.db2.gz GPFUODHBOKJAGW-NSHDSACASA-N 0 0 289.206 2.883 20 10 CFCDRN O=C(CSc1nccs1)c1ccc2c(c1)OCO2 ZINC000040677231 620418175 /nfs/dbraw/zinc/41/81/75/620418175.db2.gz DXSVCFRZCOOXIZ-UHFFFAOYSA-N 0 0 279.342 2.847 20 10 CFCDRN Cc1ccc(NCC[NH2+][C@@H](C)c2c([O-])cccc2F)nc1 ZINC000927071657 620449008 /nfs/dbraw/zinc/44/90/08/620449008.db2.gz URYVBYLSUSMEAY-LBPRGKRZSA-N 0 0 289.354 2.997 20 10 CFCDRN CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000927082567 620450182 /nfs/dbraw/zinc/45/01/82/620450182.db2.gz XUZFLXQDFRGTQJ-FZMZJTMJSA-N 0 0 299.798 2.892 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1C ZINC000841793280 620450875 /nfs/dbraw/zinc/45/08/75/620450875.db2.gz CDBHGKRQVWGNPP-UHFFFAOYSA-N 0 0 275.304 2.585 20 10 CFCDRN C[C@@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccccc1O ZINC000899181931 620528475 /nfs/dbraw/zinc/52/84/75/620528475.db2.gz OROHWBNPBHFPFU-WDEREUQCSA-N 0 0 299.374 2.731 20 10 CFCDRN C[Si](C)(C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000899743184 620596696 /nfs/dbraw/zinc/59/66/96/620596696.db2.gz YRGRHUOZWALTGS-UHFFFAOYSA-N 0 0 290.443 2.778 20 10 CFCDRN Cc1cc(C(=O)N(C)CCCF)c(C)n1-c1ccccn1 ZINC000899818034 620604154 /nfs/dbraw/zinc/60/41/54/620604154.db2.gz XWLLJCUSBSQNFY-UHFFFAOYSA-N 0 0 289.354 2.921 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2COC2)cc1 ZINC000900025407 620625324 /nfs/dbraw/zinc/62/53/24/620625324.db2.gz FENLBBSCKBOOLE-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN Cc1nnc(CCSc2ncc(Cl)s2)o1 ZINC000901580778 620868649 /nfs/dbraw/zinc/86/86/49/620868649.db2.gz FPSDLNZHBYOVLX-UHFFFAOYSA-N 0 0 261.759 2.823 20 10 CFCDRN COc1cc(COc2ccc(N(C)C)cc2)sn1 ZINC000902357901 621051885 /nfs/dbraw/zinc/05/18/85/621051885.db2.gz CWMPHOZWMRICAE-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN C[C@H]([NH2+]CCCON)c1cc(Cl)c(Cl)cc1[O-] ZINC000902423877 621074265 /nfs/dbraw/zinc/07/42/65/621074265.db2.gz ISQCFONGSKNIPO-ZETCQYMHSA-N 0 0 279.167 2.630 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC[C@@H]3CCNC3=O)cc12 ZINC000902446155 621083857 /nfs/dbraw/zinc/08/38/57/621083857.db2.gz RSIYXUKBVZRLIO-ZDUSSCGKSA-N 0 0 286.375 2.700 20 10 CFCDRN Cn1c2ccc(OC[C@@H]3CNC(=O)C3)cc2c2c1CCCC2 ZINC000902460438 621095888 /nfs/dbraw/zinc/09/58/88/621095888.db2.gz VOKRKNRHMFWGNP-LBPRGKRZSA-N 0 0 298.386 2.572 20 10 CFCDRN CC[C@@H](Nc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000832658813 625465111 /nfs/dbraw/zinc/46/51/11/625465111.db2.gz CWQSLXIYTFDENG-QGZVFWFLSA-N 0 0 297.402 2.818 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(C)(C)OC)c1 ZINC000903332915 621342587 /nfs/dbraw/zinc/34/25/87/621342587.db2.gz VJDAQPJVZKUECA-QWRGUYRKSA-N 0 0 295.379 2.643 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903435651 621373447 /nfs/dbraw/zinc/37/34/47/621373447.db2.gz FKUWLRVFBFFDEC-FZZIBODNSA-N 0 0 265.328 2.607 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1c([O-])cccc1F ZINC000903439454 621375957 /nfs/dbraw/zinc/37/59/57/621375957.db2.gz FKARNDKTCHBTGK-UFGOTCBOSA-N 0 0 265.328 2.607 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSC(C)(C)C ZINC000183434780 625490533 /nfs/dbraw/zinc/49/05/33/625490533.db2.gz PHNZDMNMXVUZHO-JTQLQIEISA-N 0 0 297.420 2.677 20 10 CFCDRN C[C@@H](c1nc(Cc2ccc(N)cc2)no1)[C@H]1CCCO1 ZINC000904076507 621517414 /nfs/dbraw/zinc/51/74/14/621517414.db2.gz CMAPLFWVWYFIPH-ZWNOBZJWSA-N 0 0 273.336 2.525 20 10 CFCDRN C[C@H]1CSCCCN1C(=O)Nc1ccc(N)cc1 ZINC000904500093 621602661 /nfs/dbraw/zinc/60/26/61/621602661.db2.gz JZAHAIDZIPERSW-JTQLQIEISA-N 0 0 265.382 2.628 20 10 CFCDRN OC1CCN(c2ccc(/C=C\c3cnccn3)cc2)CC1 ZINC000905073889 621698023 /nfs/dbraw/zinc/69/80/23/621698023.db2.gz UDPLIZZDUHXEDO-RJRFIUFISA-N 0 0 281.359 2.608 20 10 CFCDRN C/C(=C\c1ccc(N2CCOCC2)cc1)c1ncccn1 ZINC000905076939 621699422 /nfs/dbraw/zinc/69/94/22/621699422.db2.gz OMICPXOWSDJRCI-BUHFOSPRSA-N 0 0 281.359 2.874 20 10 CFCDRN CCOc1ccccc1NC[C@H](O)CC1(O)CCCCC1 ZINC000905295303 621733629 /nfs/dbraw/zinc/73/36/29/621733629.db2.gz QGRIALMSBQYHEL-CQSZACIVSA-N 0 0 293.407 2.943 20 10 CFCDRN COc1ccccc1NC[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905298798 621744407 /nfs/dbraw/zinc/74/44/07/621744407.db2.gz GETPFDRIHWESSI-GDBMZVCRSA-N 0 0 287.359 2.592 20 10 CFCDRN CNC(=O)c1cccc(NCc2cc(C)ccc2O)c1C ZINC000071407764 625515238 /nfs/dbraw/zinc/51/52/38/625515238.db2.gz DXGUKTNBQPDKMQ-UHFFFAOYSA-N 0 0 284.359 2.981 20 10 CFCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1cccc(C)c1F ZINC000906107504 621931463 /nfs/dbraw/zinc/93/14/63/621931463.db2.gz DQFJIYBJBUWNGR-HJWRWDBZSA-N 0 0 287.338 2.934 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000183654893 625526128 /nfs/dbraw/zinc/52/61/28/625526128.db2.gz NCHSLAZPCUYEFR-LLVKDONJSA-N 0 0 271.316 2.518 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H]1CCCO1 ZINC000906994399 622074309 /nfs/dbraw/zinc/07/43/09/622074309.db2.gz QDRKNNPUNLZSKL-CZUORRHYSA-N 0 0 291.391 2.946 20 10 CFCDRN CC[C@@H](C)CS(=O)(=O)NCc1cccc(Cl)c1O ZINC000908330495 622216354 /nfs/dbraw/zinc/21/63/54/622216354.db2.gz ZROBIYOIBRTEPD-SECBINFHSA-N 0 0 291.800 2.511 20 10 CFCDRN CCCOCCOC(=O)NCc1cccc(Cl)c1O ZINC000908330480 622216420 /nfs/dbraw/zinc/21/64/20/622216420.db2.gz YZOXRUBVNAEXPT-UHFFFAOYSA-N 0 0 287.743 2.698 20 10 CFCDRN Cc1cc(C(=O)N2CC3(CC3)C2)c(C)n1-c1ccccn1 ZINC000833326657 625559973 /nfs/dbraw/zinc/55/99/73/625559973.db2.gz DMAAKCKQLOMPIO-UHFFFAOYSA-N 0 0 281.359 2.725 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H](c1ccccc1)C1CC1 ZINC000910949796 622488772 /nfs/dbraw/zinc/48/87/72/622488772.db2.gz PXRGIRHQLHEONK-QGZVFWFLSA-N 0 0 297.354 2.908 20 10 CFCDRN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(O)cc2O)C1(C)C ZINC000910951413 622489311 /nfs/dbraw/zinc/48/93/11/622489311.db2.gz IRKSXOMSOPWPRT-HIFRSBDPSA-N 0 0 289.375 2.952 20 10 CFCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910950818 622489341 /nfs/dbraw/zinc/48/93/41/622489341.db2.gz JQUYZVWMUNRNIQ-GHMZBOCLSA-N 0 0 263.337 2.540 20 10 CFCDRN CCC[C@H](CC)C(=O)NCc1ccc(O)cc1O ZINC000910955451 622489872 /nfs/dbraw/zinc/48/98/72/622489872.db2.gz FKXCDUPNUFLVMS-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN CC1(C(=O)NCc2ccc(O)cc2O)CCC(F)(F)CC1 ZINC000910957337 622489946 /nfs/dbraw/zinc/48/99/46/622489946.db2.gz RRBLDPVSICEVRY-UHFFFAOYSA-N 0 0 299.317 2.930 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC2(CC2)C1 ZINC000910942465 622491232 /nfs/dbraw/zinc/49/12/32/622491232.db2.gz COLCWQVEDAOXJL-LLVKDONJSA-N 0 0 275.348 2.684 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC2CCC1CC2 ZINC000910943769 622491430 /nfs/dbraw/zinc/49/14/30/622491430.db2.gz GVFSIIGFSGOSHV-QIMFLAQGSA-N 0 0 275.348 2.540 20 10 CFCDRN C/C(=C\C(=O)NCc1ccc(O)cc1O)C(C)(C)C ZINC000910944652 622491984 /nfs/dbraw/zinc/49/19/84/622491984.db2.gz WCPJCRRJMXRVHK-JXMROGBWSA-N 0 0 263.337 2.706 20 10 CFCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910947595 622492179 /nfs/dbraw/zinc/49/21/79/622492179.db2.gz IFLGRIBPGLPHHF-HAQNSBGRSA-N 0 0 277.364 2.930 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910947717 622492403 /nfs/dbraw/zinc/49/24/03/622492403.db2.gz KNZXAFCYQZLEFC-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN CCCCC1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911782449 622551309 /nfs/dbraw/zinc/55/13/09/622551309.db2.gz JLBWHEIUJGVUMK-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN CC(C)[C@H]1C[C@@H](CNC(=O)C2=CC(=O)CS2)CCO1 ZINC000833879142 625580731 /nfs/dbraw/zinc/58/07/31/625580731.db2.gz NJAOTLYSXIZODB-CMPLNLGQSA-N 0 0 283.393 2.635 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C(/C)Cl)C2)cc1 ZINC000912292690 622677330 /nfs/dbraw/zinc/67/73/30/622677330.db2.gz ORPTVLGGYVPWME-UCQJPZFISA-N 0 0 294.782 2.533 20 10 CFCDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820580777 622707277 /nfs/dbraw/zinc/70/72/77/622707277.db2.gz FYNYZHNRZVZIRS-VHSXEESVSA-N 0 0 274.324 2.720 20 10 CFCDRN CCOC(=O)CCCN(C)c1ccc(OCC)cc1 ZINC000150727530 622716593 /nfs/dbraw/zinc/71/65/93/622716593.db2.gz VZSCVIVTUSAFBA-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN CC[C@@H](C)N(OC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821035939 622827369 /nfs/dbraw/zinc/82/73/69/622827369.db2.gz AQOWISINJATINH-SECBINFHSA-N 0 0 278.312 2.651 20 10 CFCDRN CCC[C@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000821061128 622836493 /nfs/dbraw/zinc/83/64/93/622836493.db2.gz PRLJPTOBHDMRJN-LBPRGKRZSA-N 0 0 265.353 2.583 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC=CC12CCCC2 ZINC000913202616 622847262 /nfs/dbraw/zinc/84/72/62/622847262.db2.gz IYVQJQUQJNSPBI-ALCCZGGFSA-N 0 0 285.343 2.822 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000821452990 622925956 /nfs/dbraw/zinc/92/59/56/622925956.db2.gz JSLNTBOYUPYRQF-GHMZBOCLSA-N 0 0 288.351 2.967 20 10 CFCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1F ZINC000156610286 622948731 /nfs/dbraw/zinc/94/87/31/622948731.db2.gz ISONQKRNJHUHAZ-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN CCN(CC(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821893002 623003695 /nfs/dbraw/zinc/00/36/95/623003695.db2.gz BCBXXZGDKOFXGW-UHFFFAOYSA-N 0 0 284.266 2.576 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000224866946 623016651 /nfs/dbraw/zinc/01/66/51/623016651.db2.gz VDBPTSHPMQJFBW-JQWIXIFHSA-N 0 0 269.772 2.686 20 10 CFCDRN CC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000224897613 623018944 /nfs/dbraw/zinc/01/89/44/623018944.db2.gz ZDOIXRXQONQCBC-UHFFFAOYSA-N 0 0 269.772 2.952 20 10 CFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000045929070 623036224 /nfs/dbraw/zinc/03/62/24/623036224.db2.gz KELKTYYOFWFDTN-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN CCOc1cccc(CNc2ccc(F)nc2)c1O ZINC000226550553 623082223 /nfs/dbraw/zinc/08/22/23/623082223.db2.gz ZKIUJZXRDAMGMK-UHFFFAOYSA-N 0 0 262.284 2.937 20 10 CFCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000822520955 623120846 /nfs/dbraw/zinc/12/08/46/623120846.db2.gz UAFLWFCCFRGFKY-GXFFZTMASA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccccc2)c(O)c1O ZINC000060343463 623125151 /nfs/dbraw/zinc/12/51/51/623125151.db2.gz YVRCLVGIAPJPOG-UHFFFAOYSA-N 0 0 258.273 2.763 20 10 CFCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1O ZINC000228424695 623143546 /nfs/dbraw/zinc/14/35/46/623143546.db2.gz NEEPSBOFVYQRGK-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000228553203 623148936 /nfs/dbraw/zinc/14/89/36/623148936.db2.gz PBEPIBMFNKIQLO-ZJUUUORDSA-N 0 0 255.358 2.935 20 10 CFCDRN Cc1cc(C(=O)N2CCCC2)c(C)n1-c1ccccn1 ZINC000060847780 623161263 /nfs/dbraw/zinc/16/12/63/623161263.db2.gz VGQVLXKUZPANHZ-UHFFFAOYSA-N 0 0 269.348 2.725 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]cnc1C ZINC000822756428 623167804 /nfs/dbraw/zinc/16/78/04/623167804.db2.gz DRMVLSXFIRSLHL-UHFFFAOYSA-N 0 0 287.363 2.866 20 10 CFCDRN CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000170653333 623171685 /nfs/dbraw/zinc/17/16/85/623171685.db2.gz PUGAITGVYZXTOY-GFCCVEGCSA-N 0 0 296.386 2.964 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)OCC(F)(F)F)c1 ZINC000171720612 623239194 /nfs/dbraw/zinc/23/91/94/623239194.db2.gz ZCCQJSOWGSCUKF-ZETCQYMHSA-N 0 0 293.241 2.750 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1O ZINC000823203976 623261748 /nfs/dbraw/zinc/26/17/48/623261748.db2.gz SWHHRMFJPLENRM-CQSZACIVSA-N 0 0 292.379 2.635 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230393083 623273773 /nfs/dbraw/zinc/27/37/73/623273773.db2.gz FVPSZNWQIVJDGQ-SNVBAGLBSA-N 0 0 255.745 2.562 20 10 CFCDRN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000230392123 623273236 /nfs/dbraw/zinc/27/32/36/623273236.db2.gz PVAJXMDRBGHGBM-TVQRCGJNSA-N 0 0 255.745 2.703 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000062574837 623280614 /nfs/dbraw/zinc/28/06/14/623280614.db2.gz UILVJRBIPFOLTB-ZDUSSCGKSA-N 0 0 290.407 2.684 20 10 CFCDRN O=C(CSC1CC1)NCCCSc1nccs1 ZINC000823298094 623287291 /nfs/dbraw/zinc/28/72/91/623287291.db2.gz NVMTZOWNJZLSBG-UHFFFAOYSA-N 0 0 288.463 2.637 20 10 CFCDRN O=C(NCCCSc1nccs1)c1ccsn1 ZINC000823298445 623287775 /nfs/dbraw/zinc/28/77/75/623287775.db2.gz RZUAHGMUYPAXII-UHFFFAOYSA-N 0 0 285.419 2.512 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000063000750 623311999 /nfs/dbraw/zinc/31/19/99/623311999.db2.gz IPJYVHOYGRMZMW-NHYWBVRUSA-N 0 0 275.323 2.916 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C(C)C)n2)cc1OC ZINC000063618017 623367767 /nfs/dbraw/zinc/36/77/67/623367767.db2.gz JGCNMLNHZGBVMS-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN C[C@H]1[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000823689216 623377644 /nfs/dbraw/zinc/37/76/44/623377644.db2.gz FKOHEWZOKHVPNY-GMTAPVOTSA-N 0 0 288.351 2.966 20 10 CFCDRN O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(O)cc1 ZINC000244495362 623439970 /nfs/dbraw/zinc/43/99/70/623439970.db2.gz ZKBBRXIPZRGHIM-UHFFFAOYSA-N 0 0 297.763 2.988 20 10 CFCDRN C[C@H](CCO)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824517542 623515598 /nfs/dbraw/zinc/51/55/98/623515598.db2.gz YJNXFRHKWMTIGK-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824696186 623546933 /nfs/dbraw/zinc/54/69/33/623546933.db2.gz HTDXGNBFXNEXAZ-QMMMGPOBSA-N 0 0 275.751 2.824 20 10 CFCDRN Oc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824714419 623550352 /nfs/dbraw/zinc/55/03/52/623550352.db2.gz DUNMJVKXWUJNKG-IIAWOOMASA-N 0 0 261.365 2.518 20 10 CFCDRN Oc1c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc2ccccc21 ZINC000824726455 623552655 /nfs/dbraw/zinc/55/26/55/623552655.db2.gz MRJGZDBUKKXSGL-INIZCTEOSA-N 0 0 293.313 2.747 20 10 CFCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1nccs1 ZINC000913726599 623569962 /nfs/dbraw/zinc/56/99/62/623569962.db2.gz SMNYIYJIVRKHRB-UHFFFAOYSA-N 0 0 288.372 2.669 20 10 CFCDRN C/C(=C(/F)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000913726153 623570043 /nfs/dbraw/zinc/57/00/43/623570043.db2.gz JAXFQFGQFQVSKG-ZROIWOOFSA-N 0 0 261.296 2.888 20 10 CFCDRN CCc1nc(CN[C@H](C)c2cc(OC)ccc2O)co1 ZINC000825061156 623620265 /nfs/dbraw/zinc/62/02/65/623620265.db2.gz AUNGRDKACSARMD-SNVBAGLBSA-N 0 0 276.336 2.802 20 10 CFCDRN CCCCOCCCNC(=O)NCc1c(O)cccc1F ZINC000913855474 623621806 /nfs/dbraw/zinc/62/18/06/623621806.db2.gz KNXWZQVJSMKKLS-UHFFFAOYSA-N 0 0 298.358 2.537 20 10 CFCDRN Cc1ccc([C@H](C)NC(=O)NCc2c(O)cccc2F)o1 ZINC000913911073 623643944 /nfs/dbraw/zinc/64/39/44/623643944.db2.gz QFRAZGBGQAABDU-JTQLQIEISA-N 0 0 292.310 2.993 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1F ZINC000152131015 623653184 /nfs/dbraw/zinc/65/31/84/623653184.db2.gz WLNGNOGTAWHEOY-XBXARRHUSA-N 0 0 273.741 2.968 20 10 CFCDRN CC1(C)COC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000313018337 623655602 /nfs/dbraw/zinc/65/56/02/623655602.db2.gz HZPVSGULNLOQGB-LLVKDONJSA-N 0 0 255.745 2.560 20 10 CFCDRN CCOc1ccc(CNc2cccc(CCO)c2)c(O)c1 ZINC000825284004 623663269 /nfs/dbraw/zinc/66/32/69/623663269.db2.gz CQCXRZQPKAMJNF-UHFFFAOYSA-N 0 0 287.359 2.938 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1C(C)C ZINC000825480968 623700746 /nfs/dbraw/zinc/70/07/46/623700746.db2.gz FFSWKPTVXZRWTA-UHFFFAOYSA-N 0 0 287.363 2.750 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CC12CCSCC2 ZINC000825658065 623732006 /nfs/dbraw/zinc/73/20/06/623732006.db2.gz BGASFWBFTFTPDW-LBPRGKRZSA-N 0 0 277.389 2.542 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185028369 625674214 /nfs/dbraw/zinc/67/42/14/625674214.db2.gz HMVYPEVNIDMQKV-STQMWFEESA-N 0 0 280.387 2.914 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC000826131583 623796970 /nfs/dbraw/zinc/79/69/70/623796970.db2.gz XBDNMRZMLARFQY-PWSUYJOCSA-N 0 0 269.772 2.699 20 10 CFCDRN COC1CC(CC[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000826797550 623878562 /nfs/dbraw/zinc/87/85/62/623878562.db2.gz VUKCYYRNPKQZLZ-UHFFFAOYSA-N 0 0 269.772 2.950 20 10 CFCDRN Oc1c(CN2CC[C@@H](O)C(F)(F)C2)ccc2ccccc21 ZINC000826953001 623913593 /nfs/dbraw/zinc/91/35/93/623913593.db2.gz ZFBLPCCWHLJPJU-CQSZACIVSA-N 0 0 293.313 2.747 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC[C@@H](O)C(F)(F)C2)c1O ZINC000826958989 623914621 /nfs/dbraw/zinc/91/46/21/623914621.db2.gz WBYIJFYXSKJYAU-LLVKDONJSA-N 0 0 291.725 2.556 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC[C@H](O)C(F)(F)C2)c1O ZINC000826958991 623914866 /nfs/dbraw/zinc/91/48/66/623914866.db2.gz WBYIJFYXSKJYAU-NSHDSACASA-N 0 0 291.725 2.556 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/C1(C)CCOCC1 ZINC000827081461 623936914 /nfs/dbraw/zinc/93/69/14/623936914.db2.gz JZHRMXHFVDUXQL-BQYQJAHWSA-N 0 0 289.375 2.724 20 10 CFCDRN C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827282853 623981283 /nfs/dbraw/zinc/98/12/83/623981283.db2.gz NPZARANFNSFCOQ-QMTHXVAHSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827317051 623985963 /nfs/dbraw/zinc/98/59/63/623985963.db2.gz MMSYTDASSUFCDJ-ZUZCIYMTSA-N 0 0 263.337 2.540 20 10 CFCDRN COC(=O)CN(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827331935 623988517 /nfs/dbraw/zinc/98/85/17/623988517.db2.gz HDPCEICPIFNORC-UHFFFAOYSA-N 0 0 290.407 2.590 20 10 CFCDRN Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000072590656 625690572 /nfs/dbraw/zinc/69/05/72/625690572.db2.gz DCORHRJFDZUNDQ-UHFFFAOYSA-N 0 0 286.331 2.770 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827601672 624042551 /nfs/dbraw/zinc/04/25/51/624042551.db2.gz GWFFOLVEDZFUDW-NXEZZACHSA-N 0 0 285.746 2.653 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2cccnc21 ZINC000915524146 624075778 /nfs/dbraw/zinc/07/57/78/624075778.db2.gz ACCNRMQCWUQNOJ-CQSZACIVSA-N 0 0 297.358 2.664 20 10 CFCDRN Cc1nnc(CN(C)Cc2c(O)cccc2Cl)s1 ZINC000827806196 624098466 /nfs/dbraw/zinc/09/84/66/624098466.db2.gz QESXRKHJQCGMHK-UHFFFAOYSA-N 0 0 283.784 2.838 20 10 CFCDRN COc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c(O)c1 ZINC000153711654 624102185 /nfs/dbraw/zinc/10/21/85/624102185.db2.gz DMIFWGYMNMMWFX-INIZCTEOSA-N 0 0 298.342 2.906 20 10 CFCDRN C[C@@H](O)[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827855571 624111760 /nfs/dbraw/zinc/11/17/60/624111760.db2.gz FRQPXCGXBQUXPP-ABAIWWIYSA-N 0 0 275.323 2.743 20 10 CFCDRN CCOc1ccc(N(C)Cc2cn(CC3CC3)nn2)cc1 ZINC000827878181 624118125 /nfs/dbraw/zinc/11/81/25/624118125.db2.gz PDMLCVHQWUMJCM-UHFFFAOYSA-N 0 0 286.379 2.723 20 10 CFCDRN Cc1ccc(CC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827930573 624129651 /nfs/dbraw/zinc/12/96/51/624129651.db2.gz LIRAKAUDYCHYPY-GFCCVEGCSA-N 0 0 270.332 2.516 20 10 CFCDRN CCCCO[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930101 624129791 /nfs/dbraw/zinc/12/97/91/624129791.db2.gz BCJXPRWKJYNIQS-NEPJUHHUSA-N 0 0 265.353 2.775 20 10 CFCDRN COC1CCC(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827941671 624133330 /nfs/dbraw/zinc/13/33/30/624133330.db2.gz VPKRMQOJWTYPBE-PNESKVBLSA-N 0 0 277.364 2.775 20 10 CFCDRN CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940880 624133626 /nfs/dbraw/zinc/13/36/26/624133626.db2.gz JRMLMTREQWPTNO-JHJVBQTASA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCc2cccnc21)c1ccccc1O ZINC000827946314 624134961 /nfs/dbraw/zinc/13/49/61/624134961.db2.gz DGTFFXBYUPJTEK-RISCZKNCSA-N 0 0 282.343 2.694 20 10 CFCDRN CCc1c(C(=O)N[C@H](C)c2ccccc2O)ccn1C ZINC000827946956 624136204 /nfs/dbraw/zinc/13/62/04/624136204.db2.gz VTMSSQQFWPSQLN-LLVKDONJSA-N 0 0 272.348 2.784 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952038 624137124 /nfs/dbraw/zinc/13/71/24/624137124.db2.gz DTDPUOOBNMXUDX-UXIGCNINSA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000827952488 624137170 /nfs/dbraw/zinc/13/71/70/624137170.db2.gz VFBOHPQTSYAGLS-WDEREUQCSA-N 0 0 293.363 2.547 20 10 CFCDRN COc1cncc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827955872 624138192 /nfs/dbraw/zinc/13/81/92/624138192.db2.gz DWWMPCNYIJSWNO-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCCC1 ZINC000827960395 624139706 /nfs/dbraw/zinc/13/97/06/624139706.db2.gz OOOVHUWKAHSZAX-NHYWBVRUSA-N 0 0 277.364 2.775 20 10 CFCDRN Cc1cncc(CCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827964552 624141403 /nfs/dbraw/zinc/14/14/03/624141403.db2.gz PQERCHQUASGDST-ZDUSSCGKSA-N 0 0 284.359 2.906 20 10 CFCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cnn1C(C)C ZINC000827968978 624141733 /nfs/dbraw/zinc/14/17/33/624141733.db2.gz DPDRHQIGKXEUOP-NSHDSACASA-N 0 0 287.363 2.969 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1ccccc1O ZINC000827973679 624143834 /nfs/dbraw/zinc/14/38/34/624143834.db2.gz WNHGQFOYKCGKRG-GRYCIOLGSA-N 0 0 275.348 2.575 20 10 CFCDRN C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1O ZINC000827982228 624146059 /nfs/dbraw/zinc/14/60/59/624146059.db2.gz ORFQNJMBOMGHLD-RYUDHWBXSA-N 0 0 263.337 2.529 20 10 CFCDRN C[C@H](NC(=O)C1CC2(CSC2)C1)c1ccccc1O ZINC000827986289 624147788 /nfs/dbraw/zinc/14/77/88/624147788.db2.gz PCPHEJPDESITRH-JTQLQIEISA-N 0 0 277.389 2.713 20 10 CFCDRN Cc1nc(CC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000827985375 624148081 /nfs/dbraw/zinc/14/80/81/624148081.db2.gz JHHPMGPKARPKBM-VIFPVBQESA-N 0 0 276.361 2.577 20 10 CFCDRN CCCONC(=O)N(CCC)Cc1ccccc1O ZINC000828268180 624218307 /nfs/dbraw/zinc/21/83/07/624218307.db2.gz DPXRIHVKAHGYCO-UHFFFAOYSA-N 0 0 266.341 2.655 20 10 CFCDRN C[C@@H](CCC1CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000828712085 624289869 /nfs/dbraw/zinc/28/98/69/624289869.db2.gz YQZXMLUPXMLQJQ-QMMMGPOBSA-N 0 0 267.300 2.545 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCC[C@H]1C ZINC000828884457 624320913 /nfs/dbraw/zinc/32/09/13/624320913.db2.gz BWCABSQAPYINKS-PSTGCABASA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CC(F)(F)C1 ZINC000828884912 624321381 /nfs/dbraw/zinc/32/13/81/624321381.db2.gz OLQLQPJGQRZLMP-VIFPVBQESA-N 0 0 299.317 2.580 20 10 CFCDRN CC(C)CSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000072756182 625717405 /nfs/dbraw/zinc/71/74/05/625717405.db2.gz DSRJKSXYGWTTSA-UHFFFAOYSA-N 0 0 280.437 2.758 20 10 CFCDRN Clc1cnc(SCCO[C@H]2CCOC2)s1 ZINC000918089939 624414925 /nfs/dbraw/zinc/41/49/25/624414925.db2.gz YBKZVRBUWMYBNI-ZETCQYMHSA-N 0 0 265.787 2.694 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccn2)c(C)c1 ZINC000918170018 624422343 /nfs/dbraw/zinc/42/23/43/624422343.db2.gz PAYIPINBWISRFY-FNORWQNLSA-N 0 0 267.332 2.770 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C)cc1 ZINC000918216657 624428302 /nfs/dbraw/zinc/42/83/02/624428302.db2.gz SKRQGUXHVMYAFV-UKRRQHHQSA-N 0 0 289.423 2.988 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(-c3ccncc3)o2)c1 ZINC000154798994 624470954 /nfs/dbraw/zinc/47/09/54/624470954.db2.gz KBLLKOVEAOYHKS-UHFFFAOYSA-N 0 0 282.303 2.758 20 10 CFCDRN COC(=O)c1cnc(SCc2cnoc2C)s1 ZINC000829681278 624506095 /nfs/dbraw/zinc/50/60/95/624506095.db2.gz SPGZXTVHBCNKOD-UHFFFAOYSA-N 0 0 270.335 2.518 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1C ZINC000154888168 624520133 /nfs/dbraw/zinc/52/01/33/624520133.db2.gz CRRUIUVROGYNGJ-UHFFFAOYSA-N 0 0 288.351 2.570 20 10 CFCDRN Cc1ccc(N)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764056 624525870 /nfs/dbraw/zinc/52/58/70/624525870.db2.gz FIPRJTDIZILAPV-UHFFFAOYSA-N 0 0 297.402 2.882 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(N)c1 ZINC000829764835 624528043 /nfs/dbraw/zinc/52/80/43/624528043.db2.gz YPDAJOGEYKBZLP-UHFFFAOYSA-N 0 0 297.402 2.502 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1onc2c1CCCC2 ZINC000830140863 624640632 /nfs/dbraw/zinc/64/06/32/624640632.db2.gz JHHDEJOFDLRQHU-UHFFFAOYSA-N 0 0 286.331 2.531 20 10 CFCDRN O=C(C[C@H]1CC=CCC1)NCc1c(O)cccc1F ZINC000830179637 624659490 /nfs/dbraw/zinc/65/94/90/624659490.db2.gz BHZUXMZCKGHQHO-NSHDSACASA-N 0 0 263.312 2.894 20 10 CFCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920054346 624667759 /nfs/dbraw/zinc/66/77/59/624667759.db2.gz PJCQDAZMWXLZNT-CYBMUJFWSA-N 0 0 289.423 2.940 20 10 CFCDRN C[C@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000830474956 624755796 /nfs/dbraw/zinc/75/57/96/624755796.db2.gz RTQYXEYEZNICOQ-VIFPVBQESA-N 0 0 279.311 2.642 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)OC2CCC2)c1 ZINC000830623488 624793322 /nfs/dbraw/zinc/79/33/22/624793322.db2.gz UHBUIIBHKQZNSI-VIFPVBQESA-N 0 0 265.309 2.741 20 10 CFCDRN C[C@@]1(CNC(=O)NCc2c(O)cccc2F)CCCS1 ZINC000921439675 624889554 /nfs/dbraw/zinc/88/95/54/624889554.db2.gz HNRROEJGZHIEQS-AWEZNQCLSA-N 0 0 298.383 2.616 20 10 CFCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)oc1C ZINC000175030357 624923934 /nfs/dbraw/zinc/92/39/34/624923934.db2.gz LJJZIPBIHIBTPU-UHFFFAOYSA-N 0 0 287.363 2.756 20 10 CFCDRN C[C@@H](OCC1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000064461871 624937142 /nfs/dbraw/zinc/93/71/42/624937142.db2.gz WBUMYMXEVSODNQ-CYBMUJFWSA-N 0 0 290.407 2.526 20 10 CFCDRN CCc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180804556 625041761 /nfs/dbraw/zinc/04/17/61/625041761.db2.gz ZDULMZBVOZJPMP-CSKARUKUSA-N 0 0 297.354 2.990 20 10 CFCDRN COc1ccc(N(Cc2nnc(C)[nH]2)CC2CC2)cc1 ZINC000831593897 625065307 /nfs/dbraw/zinc/06/53/07/625065307.db2.gz PGPSURDMXIHUEP-UHFFFAOYSA-N 0 0 272.352 2.538 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)ccc1O ZINC000181265679 625094494 /nfs/dbraw/zinc/09/44/94/625094494.db2.gz QHTDZALLOIDMFR-QHHAFSJGSA-N 0 0 289.262 2.594 20 10 CFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1C(C)C ZINC000832244834 625251738 /nfs/dbraw/zinc/25/17/38/625251738.db2.gz ZMEUNFYSZREUIM-UHFFFAOYSA-N 0 0 258.325 2.607 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185433817 625726053 /nfs/dbraw/zinc/72/60/53/625726053.db2.gz CIYFYGMJPNKJBW-QMTHXVAHSA-N 0 0 255.333 2.589 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH+]1CCCC1 ZINC000101590292 625745019 /nfs/dbraw/zinc/74/50/19/625745019.db2.gz FNDFQEPJJPRLAG-UHFFFAOYSA-N 0 0 256.143 2.751 20 10 CFCDRN CCOC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000072952716 625746976 /nfs/dbraw/zinc/74/69/76/625746976.db2.gz NDRYXWCXRUVSKE-UHFFFAOYSA-N 0 0 289.331 2.551 20 10 CFCDRN CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000082700055 625767661 /nfs/dbraw/zinc/76/76/61/625767661.db2.gz SALSRALJUNJSBI-UHFFFAOYSA-N 0 0 297.358 2.717 20 10 CFCDRN CC(C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000185774572 625775651 /nfs/dbraw/zinc/77/56/51/625775651.db2.gz KJBHWJXBYZLPKX-NSHDSACASA-N 0 0 263.337 2.606 20 10 CFCDRN CC(C)OC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000186072539 625829001 /nfs/dbraw/zinc/82/90/01/625829001.db2.gz ZNCTVHQTGYPEJN-AWEZNQCLSA-N 0 0 279.380 2.673 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(F)cc1[O-] ZINC000834832592 625891325 /nfs/dbraw/zinc/89/13/25/625891325.db2.gz QQKNRYLRVYKCHJ-FZMZJTMJSA-N 0 0 269.360 2.981 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834885855 625909711 /nfs/dbraw/zinc/90/97/11/625909711.db2.gz FPSUPDWPQDZRQD-BZHVJNSISA-N 0 0 271.307 2.889 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000834904654 625917065 /nfs/dbraw/zinc/91/70/65/625917065.db2.gz APTZUHKXJLSUIJ-DGFSRKRXSA-N 0 0 289.375 2.876 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000834905071 625917451 /nfs/dbraw/zinc/91/74/51/625917451.db2.gz FFKBQIGJCNGOTJ-HLTSFMKQSA-N 0 0 275.270 2.585 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000834905072 625917654 /nfs/dbraw/zinc/91/76/54/625917654.db2.gz FFKBQIGJCNGOTJ-XHNCKOQMSA-N 0 0 275.270 2.585 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000834912292 625920689 /nfs/dbraw/zinc/92/06/89/625920689.db2.gz CDMFWOZZLQXXLV-JHJVBQTASA-N 0 0 269.772 3.000 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000770668065 625947057 /nfs/dbraw/zinc/94/70/57/625947057.db2.gz IUENHPCBKAIAIS-LBPRGKRZSA-N 0 0 283.780 2.930 20 10 CFCDRN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000057647430 626097510 /nfs/dbraw/zinc/09/75/10/626097510.db2.gz UIYSPOHANMNTAT-UHFFFAOYSA-N 0 0 279.359 2.586 20 10 CFCDRN FC(F)C1(NCc2ccc3c(c2)CCCO3)CC1 ZINC000922104325 626208682 /nfs/dbraw/zinc/20/86/82/626208682.db2.gz CRTFZFFQPCCAIG-UHFFFAOYSA-N 0 0 253.292 2.899 20 10 CFCDRN CC(C)c1nnc(CNCc2ccc3c(c2)CCCO3)[nH]1 ZINC000922154285 626219428 /nfs/dbraw/zinc/21/94/28/626219428.db2.gz MSLPTZPSOAKHQD-UHFFFAOYSA-N 0 0 286.379 2.543 20 10 CFCDRN CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000073721861 626315343 /nfs/dbraw/zinc/31/53/43/626315343.db2.gz UHLSLYIMQGFKGB-UHFFFAOYSA-N 0 0 287.407 2.981 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CNc1nncn1C1CC1 ZINC000922657816 626335511 /nfs/dbraw/zinc/33/55/11/626335511.db2.gz DYGLWPYDTDDRAJ-UHFFFAOYSA-N 0 0 282.706 2.723 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000922849505 626381396 /nfs/dbraw/zinc/38/13/96/626381396.db2.gz KWTFQTXDBVJUNN-HIFRSBDPSA-N 0 0 280.343 2.765 20 10 CFCDRN O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(O)c1O ZINC000186877571 626401684 /nfs/dbraw/zinc/40/16/84/626401684.db2.gz NVGUQKDUEVGLRP-OAHLLOKOSA-N 0 0 283.327 2.979 20 10 CFCDRN CCONC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000074003004 626403368 /nfs/dbraw/zinc/40/33/68/626403368.db2.gz KUFSXAHWMPZXGD-UHFFFAOYSA-N 0 0 276.311 2.915 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC1CC2(CCC2)C1 ZINC000923087830 626450669 /nfs/dbraw/zinc/45/06/69/626450669.db2.gz GOBYYKTXJTYTBQ-UHFFFAOYSA-N 0 0 278.327 2.663 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1N(C)C ZINC000923228623 626458203 /nfs/dbraw/zinc/45/82/03/626458203.db2.gz VZJQCAGIAMTUOY-AWEZNQCLSA-N 0 0 290.407 2.748 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253803 626459617 /nfs/dbraw/zinc/45/96/17/626459617.db2.gz KXRWFNBTDXLNTJ-DOMZBBRYSA-N 0 0 290.407 2.604 20 10 CFCDRN Cc1cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1N(C)C ZINC000923251624 626460021 /nfs/dbraw/zinc/46/00/21/626460021.db2.gz GCYGLUUCLYFROU-DZGCQCFKSA-N 0 0 290.407 2.746 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCCC12CC2 ZINC000923494669 626476876 /nfs/dbraw/zinc/47/68/76/626476876.db2.gz ZNSUTCLKDWKEEZ-LLVKDONJSA-N 0 0 292.354 2.911 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccccc1O ZINC000838060848 626485182 /nfs/dbraw/zinc/48/51/82/626485182.db2.gz LICARBGLRKNACK-HIFRSBDPSA-N 0 0 262.353 2.626 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(C2CCC2)CCC1 ZINC000838177093 626487353 /nfs/dbraw/zinc/48/73/53/626487353.db2.gz BZKKIOHUFILUCG-SOFGYWHQSA-N 0 0 287.359 2.950 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000838474543 626498945 /nfs/dbraw/zinc/49/89/45/626498945.db2.gz LVGSKRKMXSSCIS-BXUZGUMPSA-N 0 0 292.379 2.635 20 10 CFCDRN CC/C=C/CNC(=O)NCCCSc1nccs1 ZINC000838513877 626500036 /nfs/dbraw/zinc/50/00/36/626500036.db2.gz LGKNBTWEXWBYHJ-ONEGZZNKSA-N 0 0 285.438 2.891 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000121340193 626502980 /nfs/dbraw/zinc/50/29/80/626502980.db2.gz ZZOAOAVMXRYWBC-HUUCEWRRSA-N 0 0 284.359 2.766 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)C)c1O ZINC000838758766 626504868 /nfs/dbraw/zinc/50/48/68/626504868.db2.gz XOJOKYPMGCJDPN-CHWSQXEVSA-N 0 0 292.379 2.635 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCn1cc(Cl)cn1 ZINC000838790955 626506983 /nfs/dbraw/zinc/50/69/83/626506983.db2.gz MMEDURGYRJBVLD-UHFFFAOYSA-N 0 0 291.782 2.998 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191611 626530792 /nfs/dbraw/zinc/53/07/92/626530792.db2.gz ILQSTRBLWFNPJM-UWVGGRQHSA-N 0 0 255.770 2.735 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccn(C)n1 ZINC000839192695 626530932 /nfs/dbraw/zinc/53/09/32/626530932.db2.gz WAFVMTZVTAPJRZ-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840820295 626532756 /nfs/dbraw/zinc/53/27/56/626532756.db2.gz HFRTUXUBNPNSAL-IUPBHXKESA-N 0 0 280.324 2.519 20 10 CFCDRN Cc1cc(C(=O)N(C)CC(F)F)c(C)n1-c1ccccn1 ZINC000103436323 626534786 /nfs/dbraw/zinc/53/47/86/626534786.db2.gz SJDODGWREQNBOJ-UHFFFAOYSA-N 0 0 293.317 2.826 20 10 CFCDRN O=C(NCc1cc(Br)ccc1O)NC1CCC1 ZINC000805085688 626541995 /nfs/dbraw/zinc/54/19/95/626541995.db2.gz OEHBWZSMEAGCGA-UHFFFAOYSA-N 0 0 299.168 2.506 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CCCC2)c1 ZINC000103503293 626547511 /nfs/dbraw/zinc/54/75/11/626547511.db2.gz MJCNKDKCIAFRRC-JTQLQIEISA-N 0 0 278.352 2.704 20 10 CFCDRN CCCCCCO[C@H](C)C(=O)NCc1ccccc1O ZINC000839612234 626549340 /nfs/dbraw/zinc/54/93/40/626549340.db2.gz OCYNVZGTOHZMTB-CYBMUJFWSA-N 0 0 279.380 2.994 20 10 CFCDRN COCC(C)(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000839650904 626549564 /nfs/dbraw/zinc/54/95/64/626549564.db2.gz OLPIEOOMSOTFSX-LLVKDONJSA-N 0 0 295.379 2.641 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CCCOC1)CCC2 ZINC000839656406 626549664 /nfs/dbraw/zinc/54/96/64/626549664.db2.gz KDDPKUNPECZEAM-ZDUSSCGKSA-N 0 0 291.391 2.883 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)O1 ZINC000757384911 626550169 /nfs/dbraw/zinc/55/01/69/626550169.db2.gz 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/nfs/dbraw/zinc/26/37/89/631263789.db2.gz NXIKYTXRHWXUCK-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809692841 631265520 /nfs/dbraw/zinc/26/55/20/631265520.db2.gz ICHDOWBWGNCERG-DTORHVGOSA-N 0 0 273.735 2.794 20 10 CFCDRN COc1cc(NCc2c(O)cc(C)cc2Cl)nn1C ZINC000840937040 631268758 /nfs/dbraw/zinc/26/87/58/631268758.db2.gz FJFVLGMPNMJKOS-UHFFFAOYSA-N 0 0 281.743 2.708 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOC[C@H]1CC(F)F ZINC000809713138 631269097 /nfs/dbraw/zinc/26/90/97/631269097.db2.gz ZXELIBFGCVQHEH-LLVKDONJSA-N 0 0 291.725 2.902 20 10 CFCDRN COc1nn(C)cc1NCc1c(O)cc(C)cc1Cl ZINC000840941557 631273770 /nfs/dbraw/zinc/27/37/70/631273770.db2.gz CABKXVHUXLFSJQ-UHFFFAOYSA-N 0 0 281.743 2.708 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1CC(F)F ZINC000840947473 631276739 /nfs/dbraw/zinc/27/67/39/631276739.db2.gz UUJIUHDIFGAHLT-OAHLLOKOSA-N 0 0 298.377 2.917 20 10 CFCDRN COc1cccc(O)c1CNc1cccc2c1COC2=O ZINC000809791314 631291464 /nfs/dbraw/zinc/29/14/64/631291464.db2.gz JKWABVXBZOAIEA-UHFFFAOYSA-N 0 0 285.299 2.683 20 10 CFCDRN COc1ccc(CNC(=O)CC2(C)CCCC2)c(O)c1 ZINC000809802447 631293577 /nfs/dbraw/zinc/29/35/77/631293577.db2.gz XOHPPVJIIZOSGP-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN CCCCCN(C(=O)C(=O)Nc1ccc(N)cc1)C(C)C ZINC000841018438 631307612 /nfs/dbraw/zinc/30/76/12/631307612.db2.gz KOWSIIBSDLITLU-UHFFFAOYSA-N 0 0 291.395 2.635 20 10 CFCDRN CN(C)c1ccc(OCc2nc(-c3ccccn3)no2)cc1 ZINC000810000780 631311795 /nfs/dbraw/zinc/31/17/95/631311795.db2.gz NFBNSSKUARQCLZ-UHFFFAOYSA-N 0 0 296.330 2.777 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841036309 631315249 /nfs/dbraw/zinc/31/52/49/631315249.db2.gz RIRMJERGMPWWMZ-JTQLQIEISA-N 0 0 275.179 2.541 20 10 CFCDRN CCOc1cccc(CNc2ccc(OC)c(N)c2)c1O ZINC000841040778 631317496 /nfs/dbraw/zinc/31/74/96/631317496.db2.gz SQACEWWDOKOMMM-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCNC1 ZINC000841041605 631319058 /nfs/dbraw/zinc/31/90/58/631319058.db2.gz APNVQSAITGAKNI-SNVBAGLBSA-N 0 0 275.179 2.541 20 10 CFCDRN Cc1nnc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000810242987 631348616 /nfs/dbraw/zinc/34/86/16/631348616.db2.gz JWMFHIIPWUQLIR-ZETCQYMHSA-N 0 0 299.346 2.724 20 10 CFCDRN CSCc1cccnc1C(=O)NCc1ccccc1O ZINC000810275844 631354087 /nfs/dbraw/zinc/35/40/87/631354087.db2.gz VJMBXVDINPUBPO-UHFFFAOYSA-N 0 0 288.372 2.580 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCSC2)c1 ZINC000810347381 631365589 /nfs/dbraw/zinc/36/55/89/631365589.db2.gz BXDRMENFBHXRCQ-GHMZBOCLSA-N 0 0 295.404 2.721 20 10 CFCDRN Cc1csc([C@@H](C)CNC(=O)Nc2ccc(N)cc2)n1 ZINC000841296495 631376891 /nfs/dbraw/zinc/37/68/91/631376891.db2.gz UASWKSYLRBZCEM-VIFPVBQESA-N 0 0 290.392 2.959 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000841296214 631377020 /nfs/dbraw/zinc/37/70/20/631377020.db2.gz QSCHLUMFFGMYMG-CQSZACIVSA-N 0 0 296.374 2.760 20 10 CFCDRN CC(C)(C)c1cnc(CNC(=O)Nc2ccc(N)cc2)o1 ZINC000841298476 631377597 /nfs/dbraw/zinc/37/75/97/631377597.db2.gz AGGVTDKDTXEYFR-UHFFFAOYSA-N 0 0 288.351 2.876 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H]2CCCC23CCOCC3)cc1 ZINC000841299420 631377604 /nfs/dbraw/zinc/37/76/04/631377604.db2.gz KIEZTCLABWLXMK-CQSZACIVSA-N 0 0 289.379 2.740 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000841300283 631378303 /nfs/dbraw/zinc/37/83/03/631378303.db2.gz SWNXZQZVYHVYMJ-JTQLQIEISA-N 0 0 273.258 2.731 20 10 CFCDRN CO[C@]1(C)C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841300933 631378647 /nfs/dbraw/zinc/37/86/47/631378647.db2.gz XEOALKCEAQWEBV-XJKSGUPXSA-N 0 0 291.395 2.936 20 10 CFCDRN Cc1nc(C)c(CCNC(=O)Nc2ccc(N)cc2)s1 ZINC000841300278 631378916 /nfs/dbraw/zinc/37/89/16/631378916.db2.gz OVBNYSKMBLOKMZ-UHFFFAOYSA-N 0 0 290.392 2.706 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CC(C)C)OC)c1 ZINC000841405660 631401170 /nfs/dbraw/zinc/40/11/70/631401170.db2.gz NXMZLJZYYNOCBL-ABAIWWIYSA-N 0 0 295.379 2.639 20 10 CFCDRN Cc1nocc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000841497545 631417322 /nfs/dbraw/zinc/41/73/22/631417322.db2.gz IYNKPXPPLLXEAL-BJMVGYQFSA-N 0 0 280.374 2.737 20 10 CFCDRN CC(C)CC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841619331 631433578 /nfs/dbraw/zinc/43/35/78/631433578.db2.gz VMGDLQSCNFQGGF-CYBMUJFWSA-N 0 0 277.412 2.935 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841620739 631434186 /nfs/dbraw/zinc/43/41/86/631434186.db2.gz WNHIGDHCUCUNET-WWGRRREGSA-N 0 0 289.423 2.935 20 10 CFCDRN COC(=O)c1cnc(SCCc2cncs2)s1 ZINC000840209867 631445868 /nfs/dbraw/zinc/44/58/68/631445868.db2.gz FUKSFNUAISZWSZ-UHFFFAOYSA-N 0 0 286.403 2.721 20 10 CFCDRN C[C@H]([NH2+]C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841744357 631462616 /nfs/dbraw/zinc/46/26/16/631462616.db2.gz HBWZLZLGJAORMN-VIFPVBQESA-N 0 0 255.745 2.875 20 10 CFCDRN C[C@@H](NCc1cocn1)c1ccc(Cl)cc1O ZINC000841750238 631464033 /nfs/dbraw/zinc/46/40/33/631464033.db2.gz NNVOGFRMPRKTEN-MRVPVSSYSA-N 0 0 252.701 2.884 20 10 CFCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750883 631465230 /nfs/dbraw/zinc/46/52/30/631465230.db2.gz KBCDYPJSPVYRHA-WQAKAFBOSA-N 0 0 296.798 2.611 20 10 CFCDRN C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841752844 631466789 /nfs/dbraw/zinc/46/67/89/631466789.db2.gz QENIKVXHLJCUFJ-JTQLQIEISA-N 0 0 279.771 2.672 20 10 CFCDRN C[C@H](NCc1ccon1)c1ccc(Cl)cc1O ZINC000841755166 631467150 /nfs/dbraw/zinc/46/71/50/631467150.db2.gz OMYBQBZRYFVGSV-QMMMGPOBSA-N 0 0 252.701 2.884 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)cc1[O-] ZINC000841757162 631468025 /nfs/dbraw/zinc/46/80/25/631468025.db2.gz FHERBZCQBBJQEU-BXKDBHETSA-N 0 0 291.782 2.977 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758393 631468328 /nfs/dbraw/zinc/46/83/28/631468328.db2.gz SLWJYIADBHMPFF-WDEREUQCSA-N 0 0 271.788 2.961 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(Cl)cc1[O-] ZINC000841760581 631469049 /nfs/dbraw/zinc/46/90/49/631469049.db2.gz SSZBBLNWVKRACK-VHSXEESVSA-N 0 0 257.761 2.857 20 10 CFCDRN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n(C)n1 ZINC000841831844 631477605 /nfs/dbraw/zinc/47/76/05/631477605.db2.gz JHEPLQRSTLKMKY-UHFFFAOYSA-N 0 0 298.434 2.959 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841862955 631482816 /nfs/dbraw/zinc/48/28/16/631482816.db2.gz CUQDLFFFEPQYRJ-GFCCVEGCSA-N 0 0 263.385 2.545 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nn2C)cc1F ZINC000841868768 631485065 /nfs/dbraw/zinc/48/50/65/631485065.db2.gz XOFSCHCTTPCWFI-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN CCn1cncc1CN(C)c1ccc(OC)c(OC)c1 ZINC000841876231 631485693 /nfs/dbraw/zinc/48/56/93/631485693.db2.gz YHNITFYUYJMAFM-UHFFFAOYSA-N 0 0 275.352 2.557 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000841957169 631496228 /nfs/dbraw/zinc/49/62/28/631496228.db2.gz OTJCIEMWSKUYPA-INIZCTEOSA-N 0 0 287.407 2.785 20 10 CFCDRN CCN(C(=O)NCCc1ccc(N)cc1)[C@@H](C)C(C)C ZINC000841956768 631496307 /nfs/dbraw/zinc/49/63/07/631496307.db2.gz HIQQKHFRGKHJAI-ZDUSSCGKSA-N 0 0 277.412 2.887 20 10 CFCDRN C[C@H](N(C)C(=O)NCCc1ccc(N)cc1)C1(C)CC1 ZINC000841958838 631496754 /nfs/dbraw/zinc/49/67/54/631496754.db2.gz UEJYTGBBOHHXJX-LBPRGKRZSA-N 0 0 275.396 2.641 20 10 CFCDRN CCN(C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841961721 631496988 /nfs/dbraw/zinc/49/69/88/631496988.db2.gz GSCLRQUDTBXEFB-UHFFFAOYSA-N 0 0 275.396 2.785 20 10 CFCDRN CC(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960086 631497129 /nfs/dbraw/zinc/49/71/29/631497129.db2.gz UVSIDWPVONFPBE-HNNXBMFYSA-N 0 0 289.423 2.889 20 10 CFCDRN CC1(C)CCC[C@H](OC(=O)C2=CC(=O)CS2)C1=O ZINC000840229283 631540261 /nfs/dbraw/zinc/54/02/61/631540261.db2.gz XHMNKEFDBHTIIS-VIFPVBQESA-N 0 0 268.334 2.758 20 10 CFCDRN CC[C@H](CN(C)c1ccc(OC)cc1OC)OC ZINC000842152387 631554021 /nfs/dbraw/zinc/55/40/21/631554021.db2.gz GMODMUCWTAVSHA-LLVKDONJSA-N 0 0 253.342 2.565 20 10 CFCDRN COc1ccc(N(C)CCOCC2CCC2)c(OC)c1 ZINC000842154516 631555189 /nfs/dbraw/zinc/55/51/89/631555189.db2.gz ULGNKZHQUVSJRL-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)[C@H](C)O ZINC000842264967 631573301 /nfs/dbraw/zinc/57/33/01/631573301.db2.gz PFRHXSSYEQOQOL-DZGCQCFKSA-N 0 0 293.407 2.928 20 10 CFCDRN COc1cc(F)c(F)cc1NC(=O)C1=CC(=O)CS1 ZINC000811606103 631585736 /nfs/dbraw/zinc/58/57/36/631585736.db2.gz ZILBVQHLLODKAI-UHFFFAOYSA-N 0 0 285.271 2.993 20 10 CFCDRN O=[N+]([O-])c1sccc1NCCc1ccc(O)c(O)c1 ZINC000811811200 631625544 /nfs/dbraw/zinc/62/55/44/631625544.db2.gz PFPFYDUIOVAHEN-UHFFFAOYSA-N 0 0 280.305 2.722 20 10 CFCDRN COc1ccc(-n2c(C)cc(-c3nc(CN)no3)c2C)cc1 ZINC000842650813 631693295 /nfs/dbraw/zinc/69/32/95/631693295.db2.gz KSHQABDHGNFMFE-UHFFFAOYSA-N 0 0 298.346 2.611 20 10 CFCDRN Oc1ccccc1CNc1ncc2c(n1)CCCC2 ZINC000840252318 631698254 /nfs/dbraw/zinc/69/82/54/631698254.db2.gz AIDJAKYFOHAWQA-UHFFFAOYSA-N 0 0 255.321 2.673 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCCC2CC2)cc1 ZINC000812449369 631720273 /nfs/dbraw/zinc/72/02/73/631720273.db2.gz OHVKQBGOHRMDBW-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN COC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812544829 631731357 /nfs/dbraw/zinc/73/13/57/631731357.db2.gz VGQXKVGYJDIQDJ-MJBXVCDLSA-N 0 0 292.423 2.848 20 10 CFCDRN COC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812544826 631731862 /nfs/dbraw/zinc/73/18/62/631731862.db2.gz VGQXKVGYJDIQDJ-IHRRRGAJSA-N 0 0 292.423 2.848 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000843043489 631811276 /nfs/dbraw/zinc/81/12/76/631811276.db2.gz VIJOUWBOVXLNQU-SWLSCSKDSA-N 0 0 289.379 2.692 20 10 CFCDRN CCCN(Cc1cccc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843052164 631816941 /nfs/dbraw/zinc/81/69/41/631816941.db2.gz IWXVMAYKOLRUCD-GFCCVEGCSA-N 0 0 268.788 2.620 20 10 CFCDRN C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])[C@@H]1C[NH3+] ZINC000843052013 631817055 /nfs/dbraw/zinc/81/70/55/631817055.db2.gz OCFAFTWUKPTAQD-ZWNOBZJWSA-N 0 0 268.788 2.605 20 10 CFCDRN CCCc1cc(-c2nc(Cc3ccc(N)cc3)no2)n[nH]1 ZINC000843158259 631869439 /nfs/dbraw/zinc/86/94/39/631869439.db2.gz AQDWWXGMYALBIH-UHFFFAOYSA-N 0 0 283.335 2.585 20 10 CFCDRN Cc1nc(N[C@H](C)c2ccc(N(C)C)cc2)cc2nncn21 ZINC000840288118 631909549 /nfs/dbraw/zinc/90/95/49/631909549.db2.gz DXLVFEZJGIVSCX-LLVKDONJSA-N 0 0 296.378 2.672 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2(C(F)F)CCCC2)c1 ZINC000813489421 631926129 /nfs/dbraw/zinc/92/61/29/631926129.db2.gz YUOCBKKUCHPJIR-UHFFFAOYSA-N 0 0 299.317 2.843 20 10 CFCDRN CC[C@@H](C)C[C@@H](NCc1cccc(C)c1O)C(=O)OC ZINC000843414739 631947425 /nfs/dbraw/zinc/94/74/25/631947425.db2.gz CAPNWZMGZWJWPA-BXUZGUMPSA-N 0 0 279.380 2.768 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421431 631950879 /nfs/dbraw/zinc/95/08/79/631950879.db2.gz YZGYOWUSFSUJCH-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN Cc1nnsc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000813883504 631971942 /nfs/dbraw/zinc/97/19/42/631971942.db2.gz OILCHPDTJIKOMV-ZCFIWIBFSA-N 0 0 285.319 2.681 20 10 CFCDRN C[C@]1(C(=O)NCc2ccccc2O)CCc2ccccc21 ZINC000843831355 632063758 /nfs/dbraw/zinc/06/37/58/632063758.db2.gz FFIQVBSGHOBFNT-SFHVURJKSA-N 0 0 281.355 2.913 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1C1CCC1 ZINC000844124529 632123110 /nfs/dbraw/zinc/12/31/10/632123110.db2.gz USYYMUAKDIKAGF-ZDUSSCGKSA-N 0 0 275.348 2.893 20 10 CFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC2(CCCC2)O1 ZINC000844154379 632128774 /nfs/dbraw/zinc/12/87/74/632128774.db2.gz ZXMKHJVALWQWQE-SNVBAGLBSA-N 0 0 281.377 2.627 20 10 CFCDRN Oc1ccccc1CNc1nnc(C2CCOCC2)s1 ZINC000814836783 632135416 /nfs/dbraw/zinc/13/54/16/632135416.db2.gz ZYRXPMFYQDUPIH-UHFFFAOYSA-N 0 0 291.376 2.750 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844271020 632150534 /nfs/dbraw/zinc/15/05/34/632150534.db2.gz DSUUHXBRVADVEL-UHFFFAOYSA-N 0 0 298.434 2.917 20 10 CFCDRN CCN(C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(OC)cc1 ZINC000844302845 632162935 /nfs/dbraw/zinc/16/29/35/632162935.db2.gz BSFHKVJOFMXGDO-HNNXBMFYSA-N 0 0 290.363 2.505 20 10 CFCDRN CN(Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844307288 632163571 /nfs/dbraw/zinc/16/35/71/632163571.db2.gz OWCADEIIZCKAHY-UHFFFAOYSA-N 0 0 271.364 2.557 20 10 CFCDRN CSCC1(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000844307428 632163790 /nfs/dbraw/zinc/16/37/90/632163790.db2.gz QNIBUMGBSJLVOI-UHFFFAOYSA-N 0 0 292.448 2.902 20 10 CFCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000844352883 632176799 /nfs/dbraw/zinc/17/67/99/632176799.db2.gz BIDXTHSKVDCEPZ-CZUORRHYSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)CCCn2ccnc2C)cc1 ZINC000844352759 632176891 /nfs/dbraw/zinc/17/68/91/632176891.db2.gz GMZMBTYPWNRGDX-UHFFFAOYSA-N 0 0 259.353 2.727 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000844353394 632177683 /nfs/dbraw/zinc/17/76/83/632177683.db2.gz VSPAKDNHNRYLLK-INIZCTEOSA-N 0 0 271.360 2.735 20 10 CFCDRN CCCCCCNC(=O)CN(C)c1ccc(OC)cc1 ZINC000844353450 632177781 /nfs/dbraw/zinc/17/77/81/632177781.db2.gz ODFZOCHDWQWEAT-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN Cc1noc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000815088966 632199530 /nfs/dbraw/zinc/19/95/30/632199530.db2.gz MKHCJJIBRFEAGZ-LLVKDONJSA-N 0 0 274.368 2.603 20 10 CFCDRN CCN(C)c1ccc(CN2CCOC[C@@H]2CC(F)F)cc1 ZINC000815118275 632205846 /nfs/dbraw/zinc/20/58/46/632205846.db2.gz ZCQIZRUYQXTLKE-HNNXBMFYSA-N 0 0 298.377 2.999 20 10 CFCDRN CC[C@@H](C)NC(=S)NCc1cc(Cl)ccc1O ZINC000844583586 632254657 /nfs/dbraw/zinc/25/46/57/632254657.db2.gz DAXJJLAIHUWXDV-MRVPVSSYSA-N 0 0 272.801 2.808 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)OCC(F)(F)F ZINC000844777739 632305983 /nfs/dbraw/zinc/30/59/83/632305983.db2.gz POKUDILAXULYDV-UHFFFAOYSA-N 0 0 283.633 2.834 20 10 CFCDRN CCc1ccc(C(=O)NCc2cccc(OC)c2O)s1 ZINC000105652717 632325824 /nfs/dbraw/zinc/32/58/24/632325824.db2.gz PQBAHNCVPBJKGK-UHFFFAOYSA-N 0 0 291.372 2.955 20 10 CFCDRN C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844921174 632336501 /nfs/dbraw/zinc/33/65/01/632336501.db2.gz GMLMIKZCAIJURW-SECBINFHSA-N 0 0 282.771 2.891 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1F ZINC000816029247 632358804 /nfs/dbraw/zinc/35/88/04/632358804.db2.gz ZEMWJBROPXYVLT-MRVPVSSYSA-N 0 0 295.335 2.659 20 10 CFCDRN CC(C)=CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845146002 632375890 /nfs/dbraw/zinc/37/58/90/632375890.db2.gz AXBYBSOHHKOVEF-UHFFFAOYSA-N 0 0 268.744 2.811 20 10 CFCDRN C[C@H](NC(=O)c1cc(F)c[nH]1)c1ccc(N(C)C)cc1 ZINC000816180342 632387989 /nfs/dbraw/zinc/38/79/89/632387989.db2.gz MFIWDRZNLXVCBV-JTQLQIEISA-N 0 0 275.327 2.711 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000816553566 632483155 /nfs/dbraw/zinc/48/31/55/632483155.db2.gz ZSTAXHBYOOFDFI-ONGXEEELSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000816557717 632484127 /nfs/dbraw/zinc/48/41/27/632484127.db2.gz YTERBOKMQNUAGO-JGZJWPJOSA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816567736 632486949 /nfs/dbraw/zinc/48/69/49/632486949.db2.gz KNXOJHSNRZVQBJ-ISVAXAHUSA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CO)CCCC1 ZINC000816571120 632488072 /nfs/dbraw/zinc/48/80/72/632488072.db2.gz SLKQEHXIZAMTHQ-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN COc1ccc(N(C)Cc2conc2C)cc1OC ZINC000816569203 632488150 /nfs/dbraw/zinc/48/81/50/632488150.db2.gz CBAKZCGIMCWLTD-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1O ZINC000816586193 632490066 /nfs/dbraw/zinc/49/00/66/632490066.db2.gz CFVICAXQSCAMJH-CYBMUJFWSA-N 0 0 287.762 2.778 20 10 CFCDRN Oc1c(CN2C[C@@H](O)CC(F)(F)C2)ccc2ccccc21 ZINC000816589415 632490735 /nfs/dbraw/zinc/49/07/35/632490735.db2.gz XMEHHBJJKHKCQI-ZDUSSCGKSA-N 0 0 293.313 2.747 20 10 CFCDRN OCCc1ccc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000816612712 632494326 /nfs/dbraw/zinc/49/43/26/632494326.db2.gz WTYWLASGXRLSMH-UHFFFAOYSA-N 0 0 296.729 2.727 20 10 CFCDRN CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816660352 632506091 /nfs/dbraw/zinc/50/60/91/632506091.db2.gz AJGBPIVPZJYVQR-GFCCVEGCSA-N 0 0 286.778 2.711 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]1C1CCCC1 ZINC000845833476 632577620 /nfs/dbraw/zinc/57/76/20/632577620.db2.gz GQWPDHMDQWKMGS-STQMWFEESA-N 0 0 275.348 2.540 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845832589 632577719 /nfs/dbraw/zinc/57/77/19/632577719.db2.gz DGIPNJWHPXUUHJ-ZIAGYGMSSA-N 0 0 289.375 2.583 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)OC1CCC1 ZINC000845995716 632610094 /nfs/dbraw/zinc/61/00/94/632610094.db2.gz FHUHUUZKRIELDB-UHFFFAOYSA-N 0 0 255.701 2.824 20 10 CFCDRN CCc1nn(C)cc1CN(C)c1ccc(OC)cc1 ZINC000845998266 632611198 /nfs/dbraw/zinc/61/11/98/632611198.db2.gz KPGVOIDUXKTFTR-UHFFFAOYSA-N 0 0 259.353 2.628 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCC1(O)CCC1 ZINC000817414756 632626389 /nfs/dbraw/zinc/62/63/89/632626389.db2.gz NRELETAKPMILIE-UHFFFAOYSA-N 0 0 269.772 2.830 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@H](F)C2)cc1F ZINC000846121382 632640825 /nfs/dbraw/zinc/64/08/25/632640825.db2.gz YXVXWQZRSIRVKA-LBPRGKRZSA-N 0 0 254.324 2.826 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000846185789 632656105 /nfs/dbraw/zinc/65/61/05/632656105.db2.gz XOMCMTYRZBHNQM-WDMOLILDSA-N 0 0 269.360 2.979 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CC2 ZINC000817525923 632657419 /nfs/dbraw/zinc/65/74/19/632657419.db2.gz WRQDTBCHZYVZII-HNNXBMFYSA-N 0 0 272.392 2.901 20 10 CFCDRN CCN1C[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000846207504 632660680 /nfs/dbraw/zinc/66/06/80/632660680.db2.gz CJXTWIANMXKJPN-MNOVXSKESA-N 0 0 296.798 2.565 20 10 CFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CC12CC2 ZINC000817602799 632674659 /nfs/dbraw/zinc/67/46/59/632674659.db2.gz LJROUYBJXUNBBX-SNVBAGLBSA-N 0 0 296.164 2.571 20 10 CFCDRN CC1(C)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474185 632715092 /nfs/dbraw/zinc/71/50/92/632715092.db2.gz RYHDSFCMNZQAJM-GFCCVEGCSA-N 0 0 283.755 2.619 20 10 CFCDRN O=C(CC[C@@H]1CCCO1)NCc1cc(Cl)ccc1O ZINC000846473752 632715453 /nfs/dbraw/zinc/71/54/53/632715453.db2.gz WGDRTPNCWGTJRR-LBPRGKRZSA-N 0 0 283.755 2.621 20 10 CFCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C(F)F ZINC000846473634 632715584 /nfs/dbraw/zinc/71/55/84/632715584.db2.gz NOHKOHQNGSBWIJ-UHFFFAOYSA-N 0 0 277.698 2.953 20 10 CFCDRN CC[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846474249 632716021 /nfs/dbraw/zinc/71/60/21/632716021.db2.gz SNBWNOQYXFQXPO-MFKMUULPSA-N 0 0 297.782 2.867 20 10 CFCDRN CC(C)(C)C[C@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476228 632716746 /nfs/dbraw/zinc/71/67/46/632716746.db2.gz KGONJQMTNHRDLN-GFCCVEGCSA-N 0 0 299.798 2.849 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476669 632717206 /nfs/dbraw/zinc/71/72/06/632717206.db2.gz OIYGEHIIZWZYDX-MRVPVSSYSA-N 0 0 273.785 2.803 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(C2CC2)no1 ZINC000846477108 632717322 /nfs/dbraw/zinc/71/73/22/632717322.db2.gz QBBRZNIKZCOPOL-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN O=C(/C=C\C1CCOCC1)NCc1cc(Cl)ccc1O ZINC000846477462 632717699 /nfs/dbraw/zinc/71/76/99/632717699.db2.gz UEEUCGXIGKJONG-RJRFIUFISA-N 0 0 295.766 2.645 20 10 CFCDRN CCNCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000817951216 632751624 /nfs/dbraw/zinc/75/16/24/632751624.db2.gz BRIKYXTYGGUVLF-GFCCVEGCSA-N 0 0 256.777 2.696 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CC2(CCC2)C1 ZINC000846607911 632757820 /nfs/dbraw/zinc/75/78/20/632757820.db2.gz SLGVOGDPNJMLBI-HYXAFXHYSA-N 0 0 273.332 2.560 20 10 CFCDRN C[C@@H](NCC(F)(F)CN)c1cc2c(cc1O)CCCC2 ZINC000817966777 632766161 /nfs/dbraw/zinc/76/61/61/632766161.db2.gz VJEQXRSQSJQYNT-SNVBAGLBSA-N 0 0 284.350 2.516 20 10 CFCDRN Nc1ccc(CCNC(=O)/C=C\C2CCCC2)cc1 ZINC000846665298 632768676 /nfs/dbraw/zinc/76/86/76/632768676.db2.gz IVUVLYJWONMBEI-YFHOEESVSA-N 0 0 258.365 2.674 20 10 CFCDRN CCN1C[C@H](CN(C)c2ccc(OC)c(Cl)c2)OC1=O ZINC000846816048 632809155 /nfs/dbraw/zinc/80/91/55/632809155.db2.gz UENFAWWTHODNIE-NSHDSACASA-N 0 0 298.770 2.626 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H]2CN(CC)C(=O)O2)cc1 ZINC000846823668 632811234 /nfs/dbraw/zinc/81/12/34/632811234.db2.gz VIVQXJONHNLFSP-HNNXBMFYSA-N 0 0 292.379 2.752 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(COCCO)cc2)c1 ZINC000818233967 632817721 /nfs/dbraw/zinc/81/77/21/632817721.db2.gz RNMQEMYTQAOSPD-UHFFFAOYSA-N 0 0 287.359 2.822 20 10 CFCDRN Cc1cc(C(=O)NCC[C@@H](C)F)c(C)n1-c1ccccn1 ZINC000818297597 632824726 /nfs/dbraw/zinc/82/47/26/632824726.db2.gz JNYFYEJIUFHKSN-LLVKDONJSA-N 0 0 289.354 2.967 20 10 CFCDRN CCn1nc(C)c(CN[C@H](C)c2ccc(Cl)cc2O)n1 ZINC000818346850 632834451 /nfs/dbraw/zinc/83/44/51/632834451.db2.gz VHPCEHCHWLCADV-SECBINFHSA-N 0 0 294.786 2.816 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000818357702 632837215 /nfs/dbraw/zinc/83/72/15/632837215.db2.gz HYANYWDXRUXRPE-AVPPRXQKSA-N 0 0 275.270 2.585 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(OC)cc1O ZINC000846950471 632856752 /nfs/dbraw/zinc/85/67/52/632856752.db2.gz OXXOJNQNQZGUFC-HNNXBMFYSA-N 0 0 283.343 2.935 20 10 CFCDRN CCc1cccc(CC(=O)NCCc2ccc(N)cc2)c1 ZINC000818544760 632863197 /nfs/dbraw/zinc/86/31/97/632863197.db2.gz MQKYSIRQQHEMOS-UHFFFAOYSA-N 0 0 282.387 2.733 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)CCOCC ZINC000819398322 633147343 /nfs/dbraw/zinc/14/73/43/633147343.db2.gz LBKSHLZACLKALM-CYBMUJFWSA-N 0 0 267.369 2.675 20 10 CFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000819398915 633147822 /nfs/dbraw/zinc/14/78/22/633147822.db2.gz QMJYGEXECQVBGZ-JQWIXIFHSA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1CO ZINC000857060506 635921317 /nfs/dbraw/zinc/92/13/17/635921317.db2.gz AMMZXLYXGIMRNT-ZJUUUORDSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1CO ZINC000857061557 635921758 /nfs/dbraw/zinc/92/17/58/635921758.db2.gz RYJJRPYCEYLHMU-KOLCDFICSA-N 0 0 287.762 2.635 20 10 CFCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CCCCO1 ZINC000848391959 633247256 /nfs/dbraw/zinc/24/72/56/633247256.db2.gz RPTYKIPJKMXWIP-MNOVXSKESA-N 0 0 269.366 2.531 20 10 CFCDRN Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848639088 633305425 /nfs/dbraw/zinc/30/54/25/633305425.db2.gz FQBVCAIHFMSSOQ-KWCYVHTRSA-N 0 0 291.391 2.926 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc3[nH]ccc3c2)c1O ZINC000107767051 633316170 /nfs/dbraw/zinc/31/61/70/633316170.db2.gz FEXBRCKXXNVZOC-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN C/C=C\C[C@@H](NCc1cccc(CC)c1O)C(=O)OCC ZINC000848904790 633390562 /nfs/dbraw/zinc/39/05/62/633390562.db2.gz BJKHRLHPPUMADW-IJVDHGTGSA-N 0 0 291.391 2.942 20 10 CFCDRN C/C=C\C[C@H](NCc1cccc(CC)c1O)C(=O)OCC ZINC000848904793 633390963 /nfs/dbraw/zinc/39/09/63/633390963.db2.gz BJKHRLHPPUMADW-QZDDGCDVSA-N 0 0 291.391 2.942 20 10 CFCDRN CCc1cccc(CNc2cccc3c2CCNC3=O)c1O ZINC000848916108 633400921 /nfs/dbraw/zinc/40/09/21/633400921.db2.gz CUZJITBDQOGSRR-UHFFFAOYSA-N 0 0 296.370 2.853 20 10 CFCDRN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000848923613 633406166 /nfs/dbraw/zinc/40/61/66/633406166.db2.gz OGEFLFUWVUBAKX-UHFFFAOYSA-N 0 0 282.340 2.929 20 10 CFCDRN O=C1CC[C@H](CSc2ncc(Cl)s2)CCN1 ZINC000850002291 633787593 /nfs/dbraw/zinc/78/75/93/633787593.db2.gz ZOLLAPYTWKJNCG-ZETCQYMHSA-N 0 0 276.814 2.805 20 10 CFCDRN CCN(CC)c1ccc(CNCc2cc3n(n2)CCC3)cc1 ZINC000850034065 633796656 /nfs/dbraw/zinc/79/66/56/633796656.db2.gz GWPHPOZHJCGOAG-UHFFFAOYSA-N 0 0 298.434 2.965 20 10 CFCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850351263 633950536 /nfs/dbraw/zinc/95/05/36/633950536.db2.gz YTESBXRRNGQFFP-ZDUSSCGKSA-N 0 0 294.351 2.595 20 10 CFCDRN CC[C@@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850355070 633951545 /nfs/dbraw/zinc/95/15/45/633951545.db2.gz CRYCMOCMVBXRQE-SNVBAGLBSA-N 0 0 252.314 2.826 20 10 CFCDRN CCn1ccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000850364084 633956345 /nfs/dbraw/zinc/95/63/45/633956345.db2.gz VWLMHLILJGXUDA-UHFFFAOYSA-N 0 0 262.332 2.720 20 10 CFCDRN CC(C)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850404909 633980189 /nfs/dbraw/zinc/98/01/89/633980189.db2.gz VPALMLOBUKQBIK-UHFFFAOYSA-N 0 0 264.325 2.969 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850482646 634012596 /nfs/dbraw/zinc/01/25/96/634012596.db2.gz QNHNCJWUIWVATI-NXEZZACHSA-N 0 0 280.324 2.519 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850514085 634026244 /nfs/dbraw/zinc/02/62/44/634026244.db2.gz LGGXSGUDZJCXLA-NHCYSSNCSA-N 0 0 280.324 2.519 20 10 CFCDRN CC[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850528070 634035986 /nfs/dbraw/zinc/03/59/86/634035986.db2.gz FBYGWFVIQKBZRS-RKDXNWHRSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545476 634046259 /nfs/dbraw/zinc/04/62/59/634046259.db2.gz OWDMIXSEAFQYFU-CMPLNLGQSA-N 0 0 267.344 2.591 20 10 CFCDRN Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1 ZINC000109770925 634233571 /nfs/dbraw/zinc/23/35/71/634233571.db2.gz WPPOCJVVXWTQPE-UHFFFAOYSA-N 0 0 284.359 2.771 20 10 CFCDRN COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000852771633 634830681 /nfs/dbraw/zinc/83/06/81/634830681.db2.gz AIVIIDSEWZVMDD-UHFFFAOYSA-N 0 0 294.351 2.739 20 10 CFCDRN CCN(C)c1ccc(CN2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000852784961 634835897 /nfs/dbraw/zinc/83/58/97/634835897.db2.gz VOBIKTBQYUOFIQ-MRXNPFEDSA-N 0 0 298.377 2.999 20 10 CFCDRN [NH3+][C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1F ZINC000853248431 634951492 /nfs/dbraw/zinc/95/14/92/634951492.db2.gz TZSNUSUUKWUNER-GHMZBOCLSA-N 0 0 293.169 2.570 20 10 CFCDRN CN(CC(=O)OCc1ccccc1)Cc1ccccc1O ZINC000111235966 634963245 /nfs/dbraw/zinc/96/32/45/634963245.db2.gz UDRQLDXJIIPSCW-UHFFFAOYSA-N 0 0 285.343 2.567 20 10 CFCDRN COCC1(NC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000853320486 634967611 /nfs/dbraw/zinc/96/76/11/634967611.db2.gz BXYGEJFUQSYMKY-UHFFFAOYSA-N 0 0 277.368 2.740 20 10 CFCDRN Cc1cc(CO)cc(NCCCSc2nccs2)n1 ZINC000853326482 634969837 /nfs/dbraw/zinc/96/98/37/634969837.db2.gz BHVSVIMJIMXSMV-UHFFFAOYSA-N 0 0 295.433 2.933 20 10 CFCDRN CCCN(Cc1ccccc1O)c1ccc(C)nn1 ZINC000853450584 635003064 /nfs/dbraw/zinc/00/30/64/635003064.db2.gz DMJBMAXPNCAMMK-UHFFFAOYSA-N 0 0 257.337 2.907 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(F)ncn1 ZINC000853451080 635003418 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ZINC000877194502 643198128 /nfs/dbraw/zinc/19/81/28/643198128.db2.gz OZXCIKGHOCFMON-UHFFFAOYSA-N 0 0 287.359 2.992 20 10 CFCDRN CC(C)CC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126424862 643211157 /nfs/dbraw/zinc/21/11/57/643211157.db2.gz ZKTKFHHIJFXXKF-SNVBAGLBSA-N 0 0 251.326 2.652 20 10 CFCDRN C[C@H]1CC(NC(=O)c2cccc(O)c2O)C[C@H](C)C1 ZINC000126448567 643227546 /nfs/dbraw/zinc/22/75/46/643227546.db2.gz KEROQGFGWUWBOA-NXEZZACHSA-N 0 0 263.337 2.652 20 10 CFCDRN CC[C@H](C)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126457522 643231667 /nfs/dbraw/zinc/23/16/67/643231667.db2.gz LRWSELMQAHPTBV-UWVGGRQHSA-N 0 0 251.326 2.652 20 10 CFCDRN COc1ccc(N(C)Cc2ccns2)cc1OC ZINC000877343220 643243954 /nfs/dbraw/zinc/24/39/54/643243954.db2.gz WCZRMTZSWNQIGO-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN CCOC(=O)[C@@H](NCc1ccc(C)cc1O)C(C)(C)C ZINC000877378794 643251127 /nfs/dbraw/zinc/25/11/27/643251127.db2.gz ZYQFQUVIGPNCSD-CQSZACIVSA-N 0 0 279.380 2.768 20 10 CFCDRN CCOC(CC[NH2+]Cc1ccc(F)c(F)c1[O-])OCC ZINC000877466725 643287272 /nfs/dbraw/zinc/28/72/72/643287272.db2.gz PNODJERFVHOFMF-UHFFFAOYSA-N 0 0 289.322 2.549 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877506656 643316490 /nfs/dbraw/zinc/31/64/90/643316490.db2.gz BCILPBSHJHRFGC-QWHCGFSZSA-N 0 0 283.318 2.814 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H](O)c2ccccc2)ccc(F)c1F ZINC000877527765 643331125 /nfs/dbraw/zinc/33/11/25/643331125.db2.gz RAYNVGUFFPCKEM-AWEZNQCLSA-N 0 0 293.313 2.884 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@H](CO)Cc2ccccc21 ZINC000877543341 643345127 /nfs/dbraw/zinc/34/51/27/643345127.db2.gz DTXDAEOJMMGTMO-CQSZACIVSA-N 0 0 283.371 2.872 20 10 CFCDRN Cc1ccc(CN2C[C@@H](CO)c3ccccc32)c(O)c1 ZINC000877549819 643350382 /nfs/dbraw/zinc/35/03/82/643350382.db2.gz IUCBEDDVIUHGGA-AWEZNQCLSA-N 0 0 269.344 2.797 20 10 CFCDRN CCc1ncc(C[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000877573093 643371380 /nfs/dbraw/zinc/37/13/80/643371380.db2.gz NOHZHBWIDTZSBS-UHFFFAOYSA-N 0 0 268.263 2.511 20 10 CFCDRN [O-]c1c(C[NH+]2CC(CC(F)F)C2)ccc(F)c1F ZINC000877598458 643389175 /nfs/dbraw/zinc/38/91/75/643389175.db2.gz GDBIJFRDCYPRHP-UHFFFAOYSA-N 0 0 263.234 2.757 20 10 CFCDRN Cc1cccc(O)c1CN1CCc2cc(Cl)nnc2C1 ZINC000877603758 643392259 /nfs/dbraw/zinc/39/22/59/643392259.db2.gz BEODRGCLCIAUEE-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN Cc1ccc(C[N@@H+]2CCCCCCNC(=O)CC2)c(O)c1 ZINC000877684979 643453572 /nfs/dbraw/zinc/45/35/72/643453572.db2.gz GSUMWCPQAHYQIY-UHFFFAOYSA-N 0 0 290.407 2.583 20 10 CFCDRN CC[C@]1(O)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877691307 643457977 /nfs/dbraw/zinc/45/79/77/643457977.db2.gz MKMRFONRBIGPPZ-AWEZNQCLSA-N 0 0 269.772 2.783 20 10 CFCDRN COc1cccc(CN2Cc3cccc(O)c3C2)c1OC ZINC000877703759 643469043 /nfs/dbraw/zinc/46/90/43/643469043.db2.gz SUJXVMLREKOVLV-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN CCc1cnc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703127 643469339 /nfs/dbraw/zinc/46/93/39/643469339.db2.gz SHMCAVZBZFSDSU-UHFFFAOYSA-N 0 0 260.362 2.927 20 10 CFCDRN Cn1nc2c(c1CN1Cc3cccc(O)c3C1)CCCC2 ZINC000877703191 643469551 /nfs/dbraw/zinc/46/95/51/643469551.db2.gz VNGSLCJJIIUABC-UHFFFAOYSA-N 0 0 283.375 2.520 20 10 CFCDRN COC(=O)c1csc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703124 643469711 /nfs/dbraw/zinc/46/97/11/643469711.db2.gz SFGOHBODWZVYDF-UHFFFAOYSA-N 0 0 289.356 2.756 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877778593 643554201 /nfs/dbraw/zinc/55/42/01/643554201.db2.gz RZXWBUURMJZYHH-PSASIEDQSA-N 0 0 275.751 2.824 20 10 CFCDRN Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877829354 643594680 /nfs/dbraw/zinc/59/46/80/643594680.db2.gz ZXXORCFQHGBZTL-SECBINFHSA-N 0 0 279.290 2.620 20 10 CFCDRN CC1(C)N[C@@H](c2ccc(O)c(O)c2)N(c2ccccc2)C1=O ZINC000877856566 643608742 /nfs/dbraw/zinc/60/87/42/643608742.db2.gz DWUONXMRNFWCGR-OAHLLOKOSA-N 0 0 298.342 2.511 20 10 CFCDRN COc1ccc([C@H]2Nc3cc(C)ccc3C(=O)N2)c(O)c1 ZINC000877863627 643611645 /nfs/dbraw/zinc/61/16/45/643611645.db2.gz IUQFJTGOCUJRRH-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN CCOc1ccc([C@H]2Nc3cc(C)ccc3C(=O)N2)c(O)c1 ZINC000877863907 643612495 /nfs/dbraw/zinc/61/24/95/643612495.db2.gz LFZGWPNUSOJUAQ-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H]2C)cc1OC ZINC000877995651 643686116 /nfs/dbraw/zinc/68/61/16/643686116.db2.gz IZJROESTSLWJCZ-VXGBXAGGSA-N 0 0 265.353 2.565 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CC(C)C)c1 ZINC000126878687 643708925 /nfs/dbraw/zinc/70/89/25/643708925.db2.gz VCPGAVSLQUCBTI-LLVKDONJSA-N 0 0 280.368 2.635 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)Nc2ccccn2)cc1 ZINC000878126292 643749395 /nfs/dbraw/zinc/74/93/95/643749395.db2.gz WPUVKEAGEFINRI-UHFFFAOYSA-N 0 0 285.347 2.555 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2CC(F)F)cc1F ZINC000878186909 643783255 /nfs/dbraw/zinc/78/32/55/643783255.db2.gz PEXNEBXWQUXTNF-UHFFFAOYSA-N 0 0 299.296 2.932 20 10 CFCDRN COc1ccc(N(C)Cc2nocc2C)c(OC)c1 ZINC000878294374 643825931 /nfs/dbraw/zinc/82/59/31/643825931.db2.gz IVJVLJUDAXFIDS-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C3CC3)ccc21 ZINC000246595105 650875941 /nfs/dbraw/zinc/87/59/41/650875941.db2.gz VIYVUEOBFUQCLS-JKSUJKDBSA-N 0 0 284.403 2.731 20 10 CFCDRN Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC000878515448 643923492 /nfs/dbraw/zinc/92/34/92/643923492.db2.gz CHLFZJKBVFRVAN-QMMMGPOBSA-N 0 0 275.308 2.880 20 10 CFCDRN COc1cccc(CNC(=O)c2c[nH]cc2C2CC2)c1O ZINC000878667558 643984562 /nfs/dbraw/zinc/98/45/62/643984562.db2.gz ULVUIYTYECWAEM-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(F)n2)cc1 ZINC000127307219 644009898 /nfs/dbraw/zinc/00/98/98/644009898.db2.gz VCLBUQSKGUCASE-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN C[C@@H](NCc1noc(C(C)(C)C)n1)c1ccccc1O ZINC000879649981 644363429 /nfs/dbraw/zinc/36/34/29/644363429.db2.gz WIZOWRDFUFYSDY-SNVBAGLBSA-N 0 0 275.352 2.924 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC(C)(C)CO2)c1 ZINC000880836772 644846797 /nfs/dbraw/zinc/84/67/97/644846797.db2.gz BYGWDVZBYYEOBL-AWEZNQCLSA-N 0 0 291.391 2.912 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc2c(n1)CCCC2 ZINC000880952275 644883107 /nfs/dbraw/zinc/88/31/07/644883107.db2.gz OOLWVOWSXZLRJM-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C(F)F ZINC000881282398 644942707 /nfs/dbraw/zinc/94/27/07/644942707.db2.gz HUIWONHJXPUGAW-LLVKDONJSA-N 0 0 295.333 2.516 20 10 CFCDRN O=C(NCCCCC1CC1)c1c(F)ccc(O)c1O ZINC000881435989 644974022 /nfs/dbraw/zinc/97/40/22/644974022.db2.gz OBHIWKBDJDBACO-UHFFFAOYSA-N 0 0 267.300 2.547 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)c1ccccc1O ZINC000881440703 644975646 /nfs/dbraw/zinc/97/56/46/644975646.db2.gz MBRBXNJOYKGDPP-USBNGQNGSA-N 0 0 299.374 2.659 20 10 CFCDRN Cc1ncnc(NCc2ccc(N3CCOCC3)cc2)c1C ZINC000881837534 645137763 /nfs/dbraw/zinc/13/77/63/645137763.db2.gz HYGZAFGJPLQWOP-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cc(CO)ccn1 ZINC000881987725 645169492 /nfs/dbraw/zinc/16/94/92/645169492.db2.gz DYKYMFXKEKMLKO-UHFFFAOYSA-N 0 0 271.364 2.560 20 10 CFCDRN CC[C@H](C)[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000252409306 651003360 /nfs/dbraw/zinc/00/33/60/651003360.db2.gz KFHWQSOZKXTCAH-MISXGVKJSA-N 0 0 265.353 2.631 20 10 CFCDRN O=C(Cc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000130162819 645465328 /nfs/dbraw/zinc/46/53/28/645465328.db2.gz JVUDPZURAAIGIL-UHFFFAOYSA-N 0 0 291.734 2.610 20 10 CFCDRN C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882936135 645517013 /nfs/dbraw/zinc/51/70/13/645517013.db2.gz MKWDXTNDOPBISI-SSDOTTSWSA-N 0 0 299.239 2.727 20 10 CFCDRN CC[C@H](SC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000130656513 645545702 /nfs/dbraw/zinc/54/57/02/645545702.db2.gz ZXSVGZYIPPPCJG-AWEZNQCLSA-N 0 0 280.437 2.819 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000883026374 645568109 /nfs/dbraw/zinc/56/81/09/645568109.db2.gz QSURFDCIADJDQX-GFCCVEGCSA-N 0 0 273.323 2.821 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC[C@@H]1O ZINC000883027401 645569388 /nfs/dbraw/zinc/56/93/88/645569388.db2.gz AEMUYWJQGPVSLF-DZGCQCFKSA-N 0 0 285.334 2.701 20 10 CFCDRN COC1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883029104 645570601 /nfs/dbraw/zinc/57/06/01/645570601.db2.gz FZUNSFQHXWGMFG-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883050783 645583105 /nfs/dbraw/zinc/58/31/05/645583105.db2.gz ZUZDUFNQIGGDAN-GFCCVEGCSA-N 0 0 283.318 2.862 20 10 CFCDRN COCCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883108956 645607615 /nfs/dbraw/zinc/60/76/15/645607615.db2.gz ZRNQFYPRQLTHIE-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000131045831 645616714 /nfs/dbraw/zinc/61/67/14/645616714.db2.gz ZJSOWFSGTRRRHO-LBPRGKRZSA-N 0 0 295.452 2.693 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCC1CCOCC1 ZINC000883131752 645618118 /nfs/dbraw/zinc/61/81/18/645618118.db2.gz QJQICBYZWSBHEN-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CCn1cc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000883137457 645620975 /nfs/dbraw/zinc/62/09/75/645620975.db2.gz FTWTYFPYNLPAFV-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000883197195 645657190 /nfs/dbraw/zinc/65/71/90/645657190.db2.gz FRQWCNGPNAWLAC-IAQYHMDHSA-N 0 0 297.345 2.965 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(F)cc1[O-] ZINC000883272498 645714000 /nfs/dbraw/zinc/71/40/00/645714000.db2.gz OAOUBHZDGDIUNL-JKOKRWQUSA-N 0 0 267.344 2.997 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)c2cccs2)c1 ZINC000131481124 645735232 /nfs/dbraw/zinc/73/52/32/645735232.db2.gz OKLBVJFUIQTMKG-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(CO)CC2)cc1 ZINC000305063051 651044093 /nfs/dbraw/zinc/04/40/93/651044093.db2.gz GZNQWAHUJKHHFN-UHFFFAOYSA-N 0 0 298.386 2.596 20 10 CFCDRN COc1ccc(N2CCC(N[C@H](C)C(F)F)CC2)cc1 ZINC000883398993 645795528 /nfs/dbraw/zinc/79/55/28/645795528.db2.gz AFSRNAZFICOLSZ-LLVKDONJSA-N 0 0 284.350 2.907 20 10 CFCDRN Nc1ccc(NC(=O)NCC2(CC3CC3)CC2)cc1 ZINC000883569757 645892448 /nfs/dbraw/zinc/89/24/48/645892448.db2.gz IYGAJEPTDRDOGD-UHFFFAOYSA-N 0 0 259.353 2.971 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc2occc2[nH]1 ZINC000133159823 646041245 /nfs/dbraw/zinc/04/12/45/646041245.db2.gz ROEYXPSYBPDBPF-UHFFFAOYSA-N 0 0 270.288 2.739 20 10 CFCDRN O=C(Nc1cnn(C2CCC2)c1)C1=CC(=O)CS1 ZINC000889053922 646050088 /nfs/dbraw/zinc/05/00/88/646050088.db2.gz AQAHJZWGAWTYNA-UHFFFAOYSA-N 0 0 263.322 2.628 20 10 CFCDRN Oc1ccccc1CNc1nccc(C(F)(F)F)n1 ZINC000133736592 646219115 /nfs/dbraw/zinc/21/91/15/646219115.db2.gz GZRYHXBJGJSYPN-UHFFFAOYSA-N 0 0 269.226 2.813 20 10 CFCDRN O=C(/C=C/c1cccs1)NCc1ccccc1O ZINC000133937605 646256554 /nfs/dbraw/zinc/25/65/54/646256554.db2.gz SKIWWICHLWJTIZ-BQYQJAHWSA-N 0 0 259.330 2.783 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(F)n2)cc1 ZINC000134240127 646310527 /nfs/dbraw/zinc/31/05/27/646310527.db2.gz COHCKORKVPUWNY-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN CN(C(=O)C[C@H]1CCC2(CCC2)CO1)c1ccc(N)cc1 ZINC000884441165 646359383 /nfs/dbraw/zinc/35/93/83/646359383.db2.gz BAJFYICWHDNKPE-OAHLLOKOSA-N 0 0 288.391 2.971 20 10 CFCDRN CCC(C)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000134977797 646422398 /nfs/dbraw/zinc/42/23/98/646422398.db2.gz YANNHNVLRUUUPY-UHFFFAOYSA-N 0 0 265.353 2.583 20 10 CFCDRN COCCOC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000885251464 646647394 /nfs/dbraw/zinc/64/73/94/646647394.db2.gz JINWHMXUQARLPS-UHFFFAOYSA-N 0 0 277.320 2.957 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1c([O-])cccc1F ZINC000886489936 647017379 /nfs/dbraw/zinc/01/73/79/647017379.db2.gz VJFXUNRHSCORIC-SNVBAGLBSA-N 0 0 254.349 2.522 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886493505 647018938 /nfs/dbraw/zinc/01/89/38/647018938.db2.gz ODTRICJAALZQBX-QWHCGFSZSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1c([O-])cccc1F ZINC000886507241 647023363 /nfs/dbraw/zinc/02/33/63/647023363.db2.gz BKUHHFYQVXOZRO-ZWNOBZJWSA-N 0 0 266.360 2.522 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886511522 647024491 /nfs/dbraw/zinc/02/44/91/647024491.db2.gz WGMJUIKLFIDKKN-MNOVXSKESA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H](NCc1cscn1)c1c(O)cccc1F ZINC000886518782 647025609 /nfs/dbraw/zinc/02/56/09/647025609.db2.gz GGFGVXZOFHZDOU-QMMMGPOBSA-N 0 0 252.314 2.839 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886524974 647028955 /nfs/dbraw/zinc/02/89/55/647028955.db2.gz UWQVOIDMVNZWSH-TZMCWYRMSA-N 0 0 289.350 2.786 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526646 647030110 /nfs/dbraw/zinc/03/01/10/647030110.db2.gz PGSSQVSZZUIBPR-QMTHXVAHSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C[C@H](C)O ZINC000886530832 647031755 /nfs/dbraw/zinc/03/17/55/647031755.db2.gz RFXWXEUHRSVTOJ-OUAUKWLOSA-N 0 0 255.333 2.589 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886530929 647031804 /nfs/dbraw/zinc/03/18/04/647031804.db2.gz STICBSCEAGYEOJ-GXFFZTMASA-N 0 0 279.311 2.817 20 10 CFCDRN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886533006 647033294 /nfs/dbraw/zinc/03/32/94/647033294.db2.gz SOLBVUWQJZFBBC-JTQLQIEISA-N 0 0 283.343 2.914 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1c([O-])cccc1F ZINC000886534855 647034087 /nfs/dbraw/zinc/03/40/87/647034087.db2.gz QCWDPUBGIKKUBC-SNVBAGLBSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1c([O-])cccc1F ZINC000886551631 647043955 /nfs/dbraw/zinc/04/39/55/647043955.db2.gz LFOJINDMZOVQPM-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886561520 647048269 /nfs/dbraw/zinc/04/82/69/647048269.db2.gz AMBXKGIXOTYDKH-ABAIWWIYSA-N 0 0 281.371 2.979 20 10 CFCDRN CCc1nnc(CN[C@@H](C)c2c(O)cccc2F)s1 ZINC000886612634 647067358 /nfs/dbraw/zinc/06/73/58/647067358.db2.gz QFJJVEBEEDPCLC-QMMMGPOBSA-N 0 0 281.356 2.796 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886616187 647068815 /nfs/dbraw/zinc/06/88/15/647068815.db2.gz WNCHYUSJJJJGKF-CABZTGNLSA-N 0 0 255.333 2.731 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886615769 647068998 /nfs/dbraw/zinc/06/89/98/647068998.db2.gz NHQXNGROIWUNPG-RNCFNFMXSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@@H](N[C@@H]1CCn2ccnc21)c1c(O)cccc1F ZINC000886615414 647069141 /nfs/dbraw/zinc/06/91/41/647069141.db2.gz FUIDKPFOKCPHHL-MWLCHTKSSA-N 0 0 261.300 2.523 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886620558 647072436 /nfs/dbraw/zinc/07/24/36/647072436.db2.gz MZAWGFYBPDQMEB-MNOVXSKESA-N 0 0 277.343 2.547 20 10 CFCDRN CCc1nc(CN[C@@H](C)c2c(O)cccc2F)co1 ZINC000886620661 647072519 /nfs/dbraw/zinc/07/25/19/647072519.db2.gz PNUXJRIENPGDAN-VIFPVBQESA-N 0 0 264.300 2.933 20 10 CFCDRN Cc1cnc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886623538 647073604 /nfs/dbraw/zinc/07/36/04/647073604.db2.gz GMSZPPDYAVLWCY-LLVKDONJSA-N 0 0 275.327 2.523 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1c([O-])cccc1F ZINC000886634434 647080152 /nfs/dbraw/zinc/08/01/52/647080152.db2.gz DRTAVQLNWHMTEL-UWVGGRQHSA-N 0 0 253.317 2.749 20 10 CFCDRN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886641495 647082951 /nfs/dbraw/zinc/08/29/51/647082951.db2.gz KYHUSIUJLFWHOK-NWDGAFQWSA-N 0 0 269.360 2.979 20 10 CFCDRN CSCc1nnc(C[NH2+][C@@H](C)c2cc(C)ccc2O)[n-]1 ZINC000886757378 647127551 /nfs/dbraw/zinc/12/75/51/647127551.db2.gz FEOFHGOEZBTAHV-JTQLQIEISA-N 0 0 292.408 2.533 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@H](CCO)C(F)(F)F)c(O)c1C ZINC000886802066 647144823 /nfs/dbraw/zinc/14/48/23/647144823.db2.gz YELKLTIGEKVGLZ-ZYHUDNBSSA-N 0 0 291.313 2.973 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000300045673 647300622 /nfs/dbraw/zinc/30/06/22/647300622.db2.gz NESAHECIIHYVTE-SNVBAGLBSA-N 0 0 276.163 2.920 20 10 CFCDRN CC1(c2nccc(NC(=O)NCc3ccccc3O)n2)CC1 ZINC000888043775 647473554 /nfs/dbraw/zinc/47/35/54/647473554.db2.gz HYAQLUTZEQRZRB-UHFFFAOYSA-N 0 0 298.346 2.555 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890469115 647806927 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648944581 /nfs/dbraw/zinc/94/45/81/648944581.db2.gz JMYBOWUUEYFNER-SSDOTTSWSA-N 0 0 279.233 2.736 20 10 CFCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928706784 648945377 /nfs/dbraw/zinc/94/53/77/648945377.db2.gz ZZXDUUFTIDRGGH-GHMZBOCLSA-N 0 0 265.328 2.974 20 10 CFCDRN CC[C@@H](C)CC[C@H](O)CC(=O)NCc1c(O)cccc1F ZINC000928708262 648945680 /nfs/dbraw/zinc/94/56/80/648945680.db2.gz JLKNUGROWLBNJY-NEPJUHHUSA-N 0 0 297.370 2.725 20 10 CFCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928708774 648946067 /nfs/dbraw/zinc/94/60/67/648946067.db2.gz TYSGKVZBVFXUPK-IAQYHMDHSA-N 0 0 265.328 2.830 20 10 CFCDRN CC(C)C(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928708700 648946195 /nfs/dbraw/zinc/94/61/95/648946195.db2.gz QWKSJHMIFXNHHO-UHFFFAOYSA-N 0 0 253.317 2.830 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nn(C)cc1C ZINC000929238419 649010953 /nfs/dbraw/zinc/01/09/53/649010953.db2.gz UZBWNBQFWQFKMZ-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN CCN(Cc1cnn(CCF)c1)c1ccc(OC)cc1 ZINC000929903920 649147407 /nfs/dbraw/zinc/14/74/07/649147407.db2.gz IPDBGXZJCOTUOI-UHFFFAOYSA-N 0 0 277.343 2.888 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C)o2)c(OC)c1 ZINC000930076604 649179476 /nfs/dbraw/zinc/17/94/76/649179476.db2.gz KVQIZHJCLHCBKI-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ncccn2)c1 ZINC000930215614 649207765 /nfs/dbraw/zinc/20/77/65/649207765.db2.gz VSJKBJBSRNVRNN-GHMZBOCLSA-N 0 0 273.336 2.603 20 10 CFCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cn(C)cn2)c1 ZINC000930316688 649229325 /nfs/dbraw/zinc/22/93/25/649229325.db2.gz VGRJTKXCGYCPCA-FPLPWBNLSA-N 0 0 269.348 2.713 20 10 CFCDRN CCc1onc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930573596 649277211 /nfs/dbraw/zinc/27/72/11/649277211.db2.gz MWFYGORPNAEDLI-UHFFFAOYSA-N 0 0 287.319 2.799 20 10 CFCDRN Cc1cc(CN2CCC[C@H]2c2nc[nH]n2)ccc1N(C)C ZINC000931140346 649385756 /nfs/dbraw/zinc/38/57/56/649385756.db2.gz LINFQONNDXQMPG-HNNXBMFYSA-N 0 0 285.395 2.516 20 10 CFCDRN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000187416272 649522060 /nfs/dbraw/zinc/52/20/60/649522060.db2.gz CVZXXJDXYBIFJG-CABZTGNLSA-N 0 0 263.337 2.667 20 10 CFCDRN CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000187416218 649522087 /nfs/dbraw/zinc/52/20/87/649522087.db2.gz CVZXXJDXYBIFJG-BXKDBHETSA-N 0 0 263.337 2.667 20 10 CFCDRN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000187416236 649522212 /nfs/dbraw/zinc/52/22/12/649522212.db2.gz CVZXXJDXYBIFJG-SKDRFNHKSA-N 0 0 263.337 2.667 20 10 CFCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000932014845 649524853 /nfs/dbraw/zinc/52/48/53/649524853.db2.gz ZTSCMPPFDFGKIC-MEJMFZKBSA-N 0 0 281.359 2.659 20 10 CFCDRN Cc1cc(F)cc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000933150418 649675623 /nfs/dbraw/zinc/67/56/23/649675623.db2.gz RPCSAZCTEVOCNI-WAYWQWQTSA-N 0 0 299.349 2.860 20 10 CFCDRN CC[C@](C)(NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000933534385 649699735 /nfs/dbraw/zinc/69/97/35/649699735.db2.gz MYWHBVHMQDGLAG-LBPRGKRZSA-N 0 0 290.285 2.922 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000934624924 649806558 /nfs/dbraw/zinc/80/65/58/649806558.db2.gz OSORVSPMXFZRRN-ZWNOBZJWSA-N 0 0 262.309 2.745 20 10 CFCDRN Oc1cccc(CN2CCc3cccc(O)c3C2)c1F ZINC001233057398 777784207 /nfs/dbraw/zinc/78/42/07/777784207.db2.gz LGRITCSWJCSCKM-UHFFFAOYSA-N 0 0 273.307 2.795 20 10 CFCDRN COc1cc(O)c(CN2CC=CC2)cc1Br ZINC001233134979 777804370 /nfs/dbraw/zinc/80/43/70/777804370.db2.gz IQCCOGJKLYJRIC-UHFFFAOYSA-N 0 0 284.153 2.535 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](C2CCC2)C1 ZINC000692936490 769831009 /nfs/dbraw/zinc/83/10/09/769831009.db2.gz YBPLMGOZVLFVRV-LBPRGKRZSA-N 0 0 275.348 2.750 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2ccc(C=O)cc2)c1 ZINC001167293771 770226834 /nfs/dbraw/zinc/22/68/34/770226834.db2.gz RYUBMQUKVNQAMY-CLFYSBASSA-N 0 0 295.338 2.843 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2nncc3ccccc32)c1 ZINC001167293386 770226873 /nfs/dbraw/zinc/22/68/73/770226873.db2.gz ALNJPGAKIQXHPM-UHFFFAOYSA-N 0 0 293.326 2.574 20 10 CFCDRN CCc1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588406672 770536965 /nfs/dbraw/zinc/53/69/65/770536965.db2.gz YNZCIFIYOQQIGL-XQRVVYSFSA-N 0 0 290.344 2.769 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccc(O)c2)cc1 ZINC000588414418 770567475 /nfs/dbraw/zinc/56/74/75/770567475.db2.gz WRNQKHYARJBYJY-FLIBITNWSA-N 0 0 296.370 2.788 20 10 CFCDRN COC(=O)c1cc(Nc2ccc(N)cc2)ccc1F ZINC001215854572 770580730 /nfs/dbraw/zinc/58/07/30/770580730.db2.gz NVOFHXUVJMMGEI-UHFFFAOYSA-N 0 0 260.268 2.938 20 10 CFCDRN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466967 770701646 /nfs/dbraw/zinc/70/16/46/770701646.db2.gz NZUMJWZWXVRXFZ-PWSUYJOCSA-N 0 0 297.782 2.819 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485163 770721527 /nfs/dbraw/zinc/72/15/27/770721527.db2.gz RSISGEGPUXGISE-UWVGGRQHSA-N 0 0 283.755 2.588 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCOC1 ZINC000724015123 770752405 /nfs/dbraw/zinc/75/24/05/770752405.db2.gz UORNFAXEAHUWQB-YPMHNXCESA-N 0 0 285.334 2.965 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CCc3cccc(Cl)c32)c1 ZINC001125559790 770797226 /nfs/dbraw/zinc/79/72/26/770797226.db2.gz HLKALOAWCUFJLD-AATRIKPKSA-N 0 0 287.750 2.676 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582506 770959977 /nfs/dbraw/zinc/95/99/77/770959977.db2.gz JMKLZTITJKSPJM-MEBBXXQBSA-N 0 0 285.334 2.653 20 10 CFCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@H]1CCCCO1 ZINC001140583538 770964982 /nfs/dbraw/zinc/96/49/82/770964982.db2.gz KKKUDWKGQLDVKI-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140584595 770970575 /nfs/dbraw/zinc/97/05/75/770970575.db2.gz YBVTXQKHBTUCGX-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](CCO)C2CCCC2)ccc(F)c1F ZINC000725118980 775277346 /nfs/dbraw/zinc/27/73/46/775277346.db2.gz DMUUWYOPIKLRFV-CYBMUJFWSA-N 0 0 285.334 2.701 20 10 CFCDRN CCOC(=O)c1cnc(S[C@@H]2CCO[C@H]2C)s1 ZINC000383384117 775301993 /nfs/dbraw/zinc/30/19/93/775301993.db2.gz HELKLTZXIYMXMA-JGVFFNPUSA-N 0 0 273.379 2.589 20 10 CFCDRN CCOC(=O)c1cnc(S[C@H]2CCO[C@H]2C)s1 ZINC000383384120 775302523 /nfs/dbraw/zinc/30/25/23/775302523.db2.gz HELKLTZXIYMXMA-YUMQZZPRSA-N 0 0 273.379 2.589 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724813343 775337655 /nfs/dbraw/zinc/33/76/55/775337655.db2.gz AQWHJNKVNAMHLX-QMTHXVAHSA-N 0 0 267.756 2.656 20 10 CFCDRN CN(C)c1ccc(CN2C[C@@H](F)[C@H](F)C2)c(Cl)c1 ZINC001140922031 775651085 /nfs/dbraw/zinc/65/10/85/775651085.db2.gz FGCCHUJFCVJYCK-CHWSQXEVSA-N 0 0 274.742 2.898 20 10 CFCDRN Cn1c(Sc2nccs2)nnc1C1CCC1 ZINC000893121109 775810311 /nfs/dbraw/zinc/81/03/11/775810311.db2.gz MOFRKGCFNNPPOC-UHFFFAOYSA-N 0 0 252.368 2.690 20 10 CFCDRN CC1(C)CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226465672 775834804 /nfs/dbraw/zinc/83/48/04/775834804.db2.gz WFGNQZRCTWHGGS-UHFFFAOYSA-N 0 0 284.308 2.562 20 10 CFCDRN CC(C)=CCC[C@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468428 775835025 /nfs/dbraw/zinc/83/50/25/775835025.db2.gz NODYBYBDRSTHNH-QMMMGPOBSA-N 0 0 284.308 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YEHCWTCVIYKDMJ-UHFFFAOYSA-N 0 0 286.778 2.578 20 10 CFCDRN CC(C)c1ccc(CN2CCn3ccnc3C2)c(O)c1 ZINC001237051922 779001113 /nfs/dbraw/zinc/00/11/13/779001113.db2.gz ONTPBJNZQGRSDL-UHFFFAOYSA-N 0 0 271.364 2.728 20 10 CFCDRN COc1cc(O)c(CN(C)CCF)c(Br)c1 ZINC001237069131 779004106 /nfs/dbraw/zinc/00/41/06/779004106.db2.gz ZAVRZJZRBIFRKN-UHFFFAOYSA-N 0 0 292.148 2.565 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC(F)C1 ZINC001237077108 779004707 /nfs/dbraw/zinc/00/47/07/779004707.db2.gz CXKABIDZUNDAKT-UHFFFAOYSA-N 0 0 250.100 2.853 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(CC(O)C2)C1 ZINC001237078637 779006722 /nfs/dbraw/zinc/00/67/22/779006722.db2.gz VSPYDHSXJYORCW-UHFFFAOYSA-N 0 0 288.174 2.656 20 10 CFCDRN C[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CCCC1=O ZINC001237119125 779016124 /nfs/dbraw/zinc/01/61/24/779016124.db2.gz BCVWHPNGAKVQAH-VIFPVBQESA-N 0 0 285.746 2.986 20 10 CFCDRN CN(Cc1c(O)cccc1OC(F)(F)F)C1(C)COC1 ZINC001237123323 779019413 /nfs/dbraw/zinc/01/94/13/779019413.db2.gz PFBXYOPOLLASSK-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CCOCC12CC2 ZINC001237143550 779024601 /nfs/dbraw/zinc/02/46/01/779024601.db2.gz LOPGTYAOKGNWAP-UHFFFAOYSA-N 0 0 287.281 2.776 20 10 CFCDRN CC(=O)[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237143174 779025172 /nfs/dbraw/zinc/02/51/72/779025172.db2.gz KBTVVFMKTVMQMI-SNVBAGLBSA-N 0 0 287.281 2.822 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418262 779104850 /nfs/dbraw/zinc/10/48/50/779104850.db2.gz XJPWXLPRCNLSDD-QMTHXVAHSA-N 0 0 298.789 2.759 20 10 CFCDRN Cc1cccc(O)c1CN1CC(F)(F)C[C@H]1CF ZINC001237484343 779116578 /nfs/dbraw/zinc/11/65/78/779116578.db2.gz CHQUGEIMSPRLJR-JTQLQIEISA-N 0 0 259.271 2.880 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237616365 779143938 /nfs/dbraw/zinc/14/39/38/779143938.db2.gz BSMVJCVKCKCECA-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237616914 779144233 /nfs/dbraw/zinc/14/42/33/779144233.db2.gz JQDVTFZZQZJBQG-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1CO ZINC001237618840 779145717 /nfs/dbraw/zinc/14/57/17/779145717.db2.gz JNDJPPOASDIRSM-LLVKDONJSA-N 0 0 273.735 2.532 20 10 CFCDRN CC[NH+]1C[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2C1 ZINC001237624455 779147498 /nfs/dbraw/zinc/14/74/98/779147498.db2.gz UKLZNTWZCXVRBE-RYUDHWBXSA-N 0 0 298.789 2.568 20 10 CFCDRN COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c(O)c(OC)c1 ZINC001237670303 779158749 /nfs/dbraw/zinc/15/87/49/779158749.db2.gz SAQXFBYAKXKQGM-JQWIXIFHSA-N 0 0 283.343 2.589 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001237798282 779180422 /nfs/dbraw/zinc/18/04/22/779180422.db2.gz CXRWICUKFYNIKJ-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237798734 779180553 /nfs/dbraw/zinc/18/05/53/779180553.db2.gz MBJBSARIFXPFKF-ZDUSSCGKSA-N 0 0 298.789 2.855 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237801736 779181285 /nfs/dbraw/zinc/18/12/85/779181285.db2.gz VEKQEMZWGKOMAU-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001237801676 779181341 /nfs/dbraw/zinc/18/13/41/779181341.db2.gz UBWGODJBSRCDLO-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC001237802735 779182958 /nfs/dbraw/zinc/18/29/58/779182958.db2.gz OGRPIHRVHKFPMN-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN CC[N@H+](CCN(C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237805021 779183028 /nfs/dbraw/zinc/18/30/28/779183028.db2.gz DFLCQDQXTCRFBR-UHFFFAOYSA-N 0 0 274.767 2.568 20 10 CFCDRN C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804806 779183046 /nfs/dbraw/zinc/18/30/46/779183046.db2.gz HASVBOGXGMIXSL-ZDUSSCGKSA-N 0 0 298.789 2.853 20 10 CFCDRN COC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804768 779183328 /nfs/dbraw/zinc/18/33/28/779183328.db2.gz GEQKEQLPIKRYST-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933457 779209709 /nfs/dbraw/zinc/20/97/09/779209709.db2.gz CCMBRSUVYCYIFE-PSASIEDQSA-N 0 0 273.735 2.530 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237935398 779211759 /nfs/dbraw/zinc/21/17/59/779211759.db2.gz DRSXCLAOTGMKEG-GFCCVEGCSA-N 0 0 298.789 2.855 20 10 CFCDRN C[N@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCOCC1 ZINC001237942836 779212734 /nfs/dbraw/zinc/21/27/34/779212734.db2.gz DNDMCVTWYQLQHG-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC[C@]12CCOC2 ZINC001237941424 779212958 /nfs/dbraw/zinc/21/29/58/779212958.db2.gz VPWBJYSMXIJPEV-CYBMUJFWSA-N 0 0 271.719 2.550 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@H]2C1 ZINC001237948619 779214259 /nfs/dbraw/zinc/21/42/59/779214259.db2.gz FNODBEYZBYVNNN-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001238057709 779240658 /nfs/dbraw/zinc/24/06/58/779240658.db2.gz LKPAVUYSMSNARK-OAHLLOKOSA-N 0 0 267.344 2.577 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3ccc(C4CC4)nc3)cc21 ZINC001238854096 779404143 /nfs/dbraw/zinc/40/41/43/779404143.db2.gz UZQWGFXZXNKMIY-UHFFFAOYSA-N 0 0 277.327 2.873 20 10 CFCDRN CCOCc1cncc(-c2nc(C)nc3c2ccn3C)c1 ZINC001238912196 779415476 /nfs/dbraw/zinc/41/54/76/779415476.db2.gz HEXWQTOTJZOLCM-UHFFFAOYSA-N 0 0 282.347 2.875 20 10 CFCDRN Cc1ccc(-c2ccn(CC3CC3)c(=O)c2)c(C)n1 ZINC001239469247 779580111 /nfs/dbraw/zinc/58/01/11/779580111.db2.gz YPJWITXAVPYWKO-UHFFFAOYSA-N 0 0 254.333 2.937 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC001236794767 779639163 /nfs/dbraw/zinc/63/91/63/779639163.db2.gz UNRBJYQVXLGTMN-VIFPVBQESA-N 0 0 290.190 2.903 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC001237618372 779700502 /nfs/dbraw/zinc/70/05/02/779700502.db2.gz ZFNIGBXNGHOCMM-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN COC(=O)c1cc2ccc(-c3ccc(N)nc3F)cc2n1C ZINC001239823671 779802688 /nfs/dbraw/zinc/80/26/88/779802688.db2.gz YCEUGLNOGDJUHS-UHFFFAOYSA-N 0 0 299.305 2.748 20 10 CFCDRN COc1cc(F)c(-c2noc(-c3csnn3)n2)cc1F ZINC001212361695 779993278 /nfs/dbraw/zinc/99/32/78/779993278.db2.gz BCRPDXYFLNECBT-UHFFFAOYSA-N 0 0 296.258 2.542 20 10 CFCDRN Cc1cc(-c2noc(-c3csnn3)n2)ccc1F ZINC001212362453 779994934 /nfs/dbraw/zinc/99/49/34/779994934.db2.gz VLHFIMBTCBCCLB-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN Cc1ncc(Cl)cc1-c1noc(-c2csnn2)n1 ZINC001212364111 779998503 /nfs/dbraw/zinc/99/85/03/779998503.db2.gz FCZFKMWVUCDSRV-UHFFFAOYSA-N 0 0 279.712 2.612 20 10 CFCDRN O=c1cc(-c2cnc3[nH]ccc3c2)ccn1CC(F)(F)F ZINC001240394331 780136091 /nfs/dbraw/zinc/13/60/91/780136091.db2.gz CCQCNMGIGBPMGQ-UHFFFAOYSA-N 0 0 293.248 2.906 20 10 CFCDRN CCOc1ncccc1-c1nnc(C)cc1-c1nccn1C ZINC001240493209 780199737 /nfs/dbraw/zinc/19/97/37/780199737.db2.gz UVWIHRDTPDNVDJ-UHFFFAOYSA-N 0 0 295.346 2.646 20 10 CFCDRN Cn1ccc2ccc(-c3cccn4c(=O)ccnc34)cc21 ZINC001240574871 780265547 /nfs/dbraw/zinc/26/55/47/780265547.db2.gz HVVWQZSGQYJSKP-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN Cn1ccc2ccc(-c3cnc4c(c3)CC(=O)N4)cc21 ZINC001240574439 780265788 /nfs/dbraw/zinc/26/57/88/780265788.db2.gz LKWGTPBHLZHVCU-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN Cn1ccc2ccc(-c3ncnc4c3NC(=O)CS4)cc21 ZINC001240573851 780266233 /nfs/dbraw/zinc/26/62/33/780266233.db2.gz LYWGRNIRZODFSV-UHFFFAOYSA-N 0 0 296.355 2.680 20 10 CFCDRN CC(C)n1nccc(-c2ccc3ccn(C)c3c2)c1=O ZINC001240575749 780267156 /nfs/dbraw/zinc/26/71/56/780267156.db2.gz ABYVDFWAWQGBAD-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN CC(C)Cn1ccc(-c2cncc(C(C)(C)O)c2)cc1=O ZINC001240670251 780343942 /nfs/dbraw/zinc/34/39/42/780343942.db2.gz UVRYJKAFXGHXOU-UHFFFAOYSA-N 0 0 286.375 2.794 20 10 CFCDRN CCC(CC)NC(=O)[C@H](C)Sc1nccs1 ZINC000133243658 780438535 /nfs/dbraw/zinc/43/85/35/780438535.db2.gz OBQDIOUHTSYGNY-QMMMGPOBSA-N 0 0 258.412 2.929 20 10 CFCDRN CSCCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494305 780450307 /nfs/dbraw/zinc/45/03/07/780450307.db2.gz FLDMQVZNOOVIDL-UHFFFAOYSA-N 0 0 261.337 2.903 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnc3c(ccn3C)c2)n1 ZINC001240826338 780465434 /nfs/dbraw/zinc/46/54/34/780465434.db2.gz SGEDIAYNPOZBLU-UHFFFAOYSA-N 0 0 277.331 2.830 20 10 CFCDRN O=c1cc(-c2ccc[nH]c2=O)ccn1Cc1cccc(F)c1 ZINC001241121261 780650038 /nfs/dbraw/zinc/65/00/38/780650038.db2.gz FOPVOIOOFNLKRU-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000700716203 780713095 /nfs/dbraw/zinc/71/30/95/780713095.db2.gz QTJXAUMFXLUYIM-BXKDBHETSA-N 0 0 273.323 2.821 20 10 CFCDRN O=C1Cc2ccnc(C3=CCN(c4ccccc4)CC3)c2N1 ZINC001241347231 780801005 /nfs/dbraw/zinc/80/10/05/780801005.db2.gz PXKRZFOFCGXZEI-UHFFFAOYSA-N 0 0 291.354 2.870 20 10 CFCDRN O=C1Cc2c(cncc2C2=CCN(c3ccccc3)CC2)N1 ZINC001241356210 780804816 /nfs/dbraw/zinc/80/48/16/780804816.db2.gz WHMPRETYAYPHQB-UHFFFAOYSA-N 0 0 291.354 2.870 20 10 CFCDRN COc1cc(Cl)cc(CN2CC[C@H](F)C2)c1O ZINC000701655978 780823335 /nfs/dbraw/zinc/82/33/35/780823335.db2.gz DVXGNUNIGNGVIU-JTQLQIEISA-N 0 0 259.708 2.598 20 10 CFCDRN CCc1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001241379909 780833686 /nfs/dbraw/zinc/83/36/86/780833686.db2.gz LCCXVPILXGRHRW-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001137831652 780856917 /nfs/dbraw/zinc/85/69/17/780856917.db2.gz IOUAPLNFKDPXLI-NHYWBVRUSA-N 0 0 265.328 2.532 20 10 CFCDRN COc1ccc(O)c(CNc2cccc3c2CCO3)c1 ZINC000701961350 780857099 /nfs/dbraw/zinc/85/70/99/780857099.db2.gz MBXRCQTYMSYOEV-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN COc1ncc(-c2ccn(CC(C)C)c(=O)c2)s1 ZINC001241417822 780863262 /nfs/dbraw/zinc/86/32/62/780863262.db2.gz MWKJLJSMJXSZPR-UHFFFAOYSA-N 0 0 264.350 2.636 20 10 CFCDRN Cn1cc2cccc(-c3ccn(CC4CC4)c(=O)c3)c2n1 ZINC001241470942 780922994 /nfs/dbraw/zinc/92/29/94/780922994.db2.gz NFTRAVCMEHQQJY-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703272886 781001507 /nfs/dbraw/zinc/00/15/07/781001507.db2.gz IDNAZHSJJMASDM-ONGXEEELSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cscn1 ZINC000703286715 781003385 /nfs/dbraw/zinc/00/33/85/781003385.db2.gz PXTSOEFKVCUWHA-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN [O-]c1c(C[NH2+]CC2CCSCC2)ccc(F)c1F ZINC000703256447 781004456 /nfs/dbraw/zinc/00/44/56/781004456.db2.gz KDWBZPZBYFRLTM-UHFFFAOYSA-N 0 0 273.348 2.903 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](CO)C2CCCCC2)ccc(F)c1F ZINC000703296955 781006173 /nfs/dbraw/zinc/00/61/73/781006173.db2.gz XPUNBSIEQMAHFU-ZDUSSCGKSA-N 0 0 285.334 2.701 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000703349037 781008215 /nfs/dbraw/zinc/00/82/15/781008215.db2.gz VNQFZZIBIOKHLL-VIFPVBQESA-N 0 0 271.307 2.575 20 10 CFCDRN CCCCOCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703362565 781010311 /nfs/dbraw/zinc/01/03/11/781010311.db2.gz BGIATTUXSUQDPK-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703364306 781010988 /nfs/dbraw/zinc/01/09/88/781010988.db2.gz KNQJTOJYYVYHLB-SNVBAGLBSA-N 0 0 271.307 2.718 20 10 CFCDRN CC[NH+](CC)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703491127 781017049 /nfs/dbraw/zinc/01/70/49/781017049.db2.gz PUHRTVOVBWKUDZ-GFCCVEGCSA-N 0 0 284.350 2.587 20 10 CFCDRN CCOC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703502448 781017237 /nfs/dbraw/zinc/01/72/37/781017237.db2.gz NRCJMPFMDBBJHB-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN COCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703530073 781026741 /nfs/dbraw/zinc/02/67/41/781026741.db2.gz LUSHGXZBYVHQJS-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN O=c1cc(-c2cccc3c[nH]nc32)ccn1CC1CC1 ZINC001241624465 781026864 /nfs/dbraw/zinc/02/68/64/781026864.db2.gz BLDLQYKHANTXBR-UHFFFAOYSA-N 0 0 265.316 2.802 20 10 CFCDRN COc1cc(C)c(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001241772827 781120462 /nfs/dbraw/zinc/12/04/62/781120462.db2.gz QAOJDHGMZDIQOZ-UHFFFAOYSA-N 0 0 270.332 2.637 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)CN(C)C2=O ZINC001241821194 781143729 /nfs/dbraw/zinc/14/37/29/781143729.db2.gz AIQQQZDMDXBUJO-UHFFFAOYSA-N 0 0 277.327 2.826 20 10 CFCDRN CCNC(=O)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241822853 781144382 /nfs/dbraw/zinc/14/43/82/781144382.db2.gz PXGOZFMGRZNXPX-UHFFFAOYSA-N 0 0 279.343 2.990 20 10 CFCDRN CNC(=O)c1ncc(-c2cccc3c2ccn3C)cc1C ZINC001241823559 781144737 /nfs/dbraw/zinc/14/47/37/781144737.db2.gz UJBRCZQXOFXREH-UHFFFAOYSA-N 0 0 279.343 2.908 20 10 CFCDRN COc1ncnc(C)c1-c1cccc2c1ccn2C ZINC001241823145 781144876 /nfs/dbraw/zinc/14/48/76/781144876.db2.gz UYBHMOTVADFCQA-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Cn1ccc2c1cccc2-c1cncc(S(C)(=O)=O)c1 ZINC001241821864 781144879 /nfs/dbraw/zinc/14/48/79/781144879.db2.gz MRABOUTVKAIHAT-UHFFFAOYSA-N 0 0 286.356 2.644 20 10 CFCDRN Cn1ccc2c1cccc2-c1ncnc2c1NC(=O)CS2 ZINC001241821952 781144934 /nfs/dbraw/zinc/14/49/34/781144934.db2.gz LTORGRMNZHWQDS-UHFFFAOYSA-N 0 0 296.355 2.680 20 10 CFCDRN CCN(Cc1c(O)cccc1F)CC(F)(F)F ZINC001137839077 781164242 /nfs/dbraw/zinc/16/42/42/781164242.db2.gz QJCSNBAZGHYREF-UHFFFAOYSA-N 0 0 251.223 2.916 20 10 CFCDRN CCOC(=O)[C@H]1CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137839130 781169718 /nfs/dbraw/zinc/16/97/18/781169718.db2.gz SLTFCTSNYZCTQU-LBPRGKRZSA-N 0 0 295.354 2.697 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2nocc2C)c1 ZINC000708225169 781267189 /nfs/dbraw/zinc/26/71/89/781267189.db2.gz DWEOZZBZDOJTJV-JTQLQIEISA-N 0 0 262.309 2.548 20 10 CFCDRN C[N@H+](CCOC(C)(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708386895 781271781 /nfs/dbraw/zinc/27/17/81/781271781.db2.gz YFAPYLMSDOOMIJ-UHFFFAOYSA-N 0 0 273.323 2.917 20 10 CFCDRN CN(C)C1(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708434801 781275126 /nfs/dbraw/zinc/27/51/26/781275126.db2.gz UPJKUIYVBSZUCM-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN COCCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708503868 781290972 /nfs/dbraw/zinc/29/09/72/781290972.db2.gz QKJLEQJNGPIRIO-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708503072 781291534 /nfs/dbraw/zinc/29/15/34/781291534.db2.gz NNIFRJZKSUOXRU-NSHDSACASA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000708535185 781292049 /nfs/dbraw/zinc/29/20/49/781292049.db2.gz JEVAFCYRBBJSEC-AWEZNQCLSA-N 0 0 285.334 2.701 20 10 CFCDRN CO[C@@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517633 781292521 /nfs/dbraw/zinc/29/25/21/781292521.db2.gz RBUDOCQZLLSNJI-AWEZNQCLSA-N 0 0 271.307 2.575 20 10 CFCDRN CCc1cnc(C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708548446 781292759 /nfs/dbraw/zinc/29/27/59/781292759.db2.gz FSNYETHFWURQEJ-UHFFFAOYSA-N 0 0 284.331 2.979 20 10 CFCDRN CCOC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000708535207 781292926 /nfs/dbraw/zinc/29/29/26/781292926.db2.gz JMIWVLFXHVNQQF-CYBMUJFWSA-N 0 0 273.323 2.821 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCN1CCCCCC1 ZINC000708557743 781293897 /nfs/dbraw/zinc/29/38/97/781293897.db2.gz AATGAFJAXPJUCC-UHFFFAOYSA-N 0 0 284.350 2.636 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1SCCS1 ZINC000708555549 781294082 /nfs/dbraw/zinc/29/40/82/781294082.db2.gz OFSHQNOYFSWQMO-UHFFFAOYSA-N 0 0 277.361 2.566 20 10 CFCDRN C[C@]1(C(F)(F)F)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000709629204 781316499 /nfs/dbraw/zinc/31/64/99/781316499.db2.gz KEKZZNQACHVIQJ-ZDUSSCGKSA-N 0 0 286.297 2.612 20 10 CFCDRN C[C@@]1(C(F)(F)F)CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000709629203 781317316 /nfs/dbraw/zinc/31/73/16/781317316.db2.gz KEKZZNQACHVIQJ-CYBMUJFWSA-N 0 0 286.297 2.612 20 10 CFCDRN COCCn1ccc(-c2cccc3cc[nH]c32)cc1=O ZINC001242361644 781436185 /nfs/dbraw/zinc/43/61/85/781436185.db2.gz OZEJPEQWZLXKDX-UHFFFAOYSA-N 0 0 268.316 2.643 20 10 CFCDRN CC(=O)c1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001242404193 781469184 /nfs/dbraw/zinc/46/91/84/781469184.db2.gz VRWDGWNKZXHFEW-UHFFFAOYSA-N 0 0 278.311 2.803 20 10 CFCDRN COc1ncc(-c2ccnc3c2ccn3C)cc1C ZINC001242431840 781496795 /nfs/dbraw/zinc/49/67/95/781496795.db2.gz BWYBYSSHHVQABW-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnn(C(C)C)c1 ZINC001242435112 781500829 /nfs/dbraw/zinc/50/08/29/781500829.db2.gz YHUDBWLRPWVQCF-UHFFFAOYSA-N 0 0 285.351 2.522 20 10 CFCDRN O=c1cc(-c2cccnc2OC(F)F)ccn1CC1CC1 ZINC001242631892 781660745 /nfs/dbraw/zinc/66/07/45/781660745.db2.gz QLKBTHPWFZSEOA-UHFFFAOYSA-N 0 0 292.285 2.922 20 10 CFCDRN CCOc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001242659260 781676653 /nfs/dbraw/zinc/67/66/53/781676653.db2.gz ICQVDFVDOPWSMW-UHFFFAOYSA-N 0 0 270.332 2.719 20 10 CFCDRN Nc1ccc(CC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000716072674 781781481 /nfs/dbraw/zinc/78/14/81/781781481.db2.gz DEEGRPKWPCVIKM-LQDVMPOASA-N 0 0 290.432 2.602 20 10 CFCDRN C[C@H](CCCC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001120087629 781908078 /nfs/dbraw/zinc/90/80/78/781908078.db2.gz ONOZOUXGLPNWSU-GFCCVEGCSA-N 0 0 277.364 2.745 20 10 CFCDRN COc1cccc(CNc2ncc(C)s2)c1O ZINC000083382625 178383356 /nfs/dbraw/zinc/38/33/56/178383356.db2.gz HLCNUAOSSQJSGZ-UHFFFAOYSA-N 0 0 250.323 2.778 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185424499 282242304 /nfs/dbraw/zinc/24/23/04/282242304.db2.gz BYKXTZOFTSNMAP-BONVTDFDSA-N 0 0 269.360 2.979 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)C ZINC000173185742 282295176 /nfs/dbraw/zinc/29/51/76/282295176.db2.gz RSZAABBGXFVDKC-UHFFFAOYSA-N 0 0 276.380 2.914 20 10 CFCDRN C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031726393 346296196 /nfs/dbraw/zinc/29/61/96/346296196.db2.gz QXQNTZRNRIYOIV-ZDUSSCGKSA-N 0 0 275.396 2.694 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCCCC2)cc1OC ZINC000032265274 346301456 /nfs/dbraw/zinc/30/14/56/346301456.db2.gz CJLYSJKEHBTPKL-UHFFFAOYSA-N 0 0 266.297 2.602 20 10 CFCDRN CN(C)c1ccc(CNc2cc(Cl)nc(N)n2)cc1F ZINC000058545513 346646295 /nfs/dbraw/zinc/64/62/95/346646295.db2.gz UWYISHCTSJSGOM-UHFFFAOYSA-N 0 0 295.749 2.529 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000058769330 346649890 /nfs/dbraw/zinc/64/98/90/346649890.db2.gz NQFCTERPPKOPSV-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN CC1(C)CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000078363098 347246646 /nfs/dbraw/zinc/24/66/46/347246646.db2.gz JMYDNHYVYWULHC-ZDUSSCGKSA-N 0 0 262.353 2.770 20 10 CFCDRN CC(C)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cn1 ZINC000081943166 347440279 /nfs/dbraw/zinc/44/02/79/347440279.db2.gz ZBKVCCHDPZWTFJ-UHFFFAOYSA-N 0 0 299.374 2.880 20 10 CFCDRN COc1cccc(CNc2nc(N)c3ccccc3n2)c1O ZINC000091479325 347589026 /nfs/dbraw/zinc/58/90/26/347589026.db2.gz FLFUZWLSSLDDCX-UHFFFAOYSA-N 0 0 296.330 2.538 20 10 CFCDRN COc1cccc(CNc2nc(C3CC3)ns2)c1O ZINC000092649005 347636443 /nfs/dbraw/zinc/63/64/43/347636443.db2.gz AIBDNFMAPLBNTR-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(C)(F)F ZINC000608250309 351416571 /nfs/dbraw/zinc/41/65/71/351416571.db2.gz MWJGIPHHUAKFFW-UHFFFAOYSA-N 0 0 298.333 2.913 20 10 CFCDRN CCC(=O)CCCSc1ncc(C(=O)OC)s1 ZINC000295351148 199471285 /nfs/dbraw/zinc/47/12/85/199471285.db2.gz QRSDLNYMIMEBLY-UHFFFAOYSA-N 0 0 273.379 2.781 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCOCC2)cc1 ZINC000373350898 540342620 /nfs/dbraw/zinc/34/26/20/540342620.db2.gz QPQLBKHXDZLDGM-HNNXBMFYSA-N 0 0 290.407 2.528 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](SC)C2)cc1OC ZINC000294877865 199226638 /nfs/dbraw/zinc/22/66/38/199226638.db2.gz BSLXVMYDZSWKFO-VIFPVBQESA-N 0 0 298.364 2.554 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CCC[C@H](O)C2)s1 ZINC000294899891 199238389 /nfs/dbraw/zinc/23/83/89/199238389.db2.gz ALBMOCJJYKPQRY-IUCAKERBSA-N 0 0 287.406 2.573 20 10 CFCDRN C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185121301 295975327 /nfs/dbraw/zinc/97/53/27/295975327.db2.gz MSOYKJBPLGPWOH-SFYZADRCSA-N 0 0 278.179 2.978 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)nc(C)n1 ZINC000359845148 540971513 /nfs/dbraw/zinc/97/15/13/540971513.db2.gz LWBGNQGKSIZWFO-UHFFFAOYSA-N 0 0 280.375 2.928 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000279015625 299320125 /nfs/dbraw/zinc/32/01/25/299320125.db2.gz UFIJPJMZUNWAOL-NWDGAFQWSA-N 0 0 289.354 2.641 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187732489 296133193 /nfs/dbraw/zinc/13/31/93/296133193.db2.gz MDRQGMCQQIKJFR-BREBYQMCSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276865249 296165038 /nfs/dbraw/zinc/16/50/38/296165038.db2.gz DCMVDNHYWXFZTM-BBBLOLIVSA-N 0 0 271.307 2.889 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc(F)n2)s1 ZINC000493480912 246600328 /nfs/dbraw/zinc/60/03/28/246600328.db2.gz GOVHZLGJXIEPPM-VOTSOKGWSA-N 0 0 277.324 2.662 20 10 CFCDRN CCCOc1ccc(CN(C)Cc2cnccn2)c(O)c1 ZINC000092591485 375128341 /nfs/dbraw/zinc/12/83/41/375128341.db2.gz CCVMXQIDXRUZPL-UHFFFAOYSA-N 0 0 287.363 2.603 20 10 CFCDRN CCOc1ccc(O)c(CN(C)[C@H](C)C(=O)OC(C)C)c1 ZINC000093773301 375311558 /nfs/dbraw/zinc/31/15/58/375311558.db2.gz BLXDQQSWCMLCNJ-GFCCVEGCSA-N 0 0 295.379 2.563 20 10 CFCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1C ZINC000098076927 375600356 /nfs/dbraw/zinc/60/03/56/375600356.db2.gz DAXIIXHYFZUXPQ-UHFFFAOYSA-N 0 0 291.372 2.749 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000529513802 383714981 /nfs/dbraw/zinc/71/49/81/383714981.db2.gz UFKRGMXOTBSKLO-LFNDISMMSA-N 0 0 297.782 2.721 20 10 CFCDRN C[NH+](C)[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000124586482 377066962 /nfs/dbraw/zinc/06/69/62/377066962.db2.gz JTMXNOICOFTPJO-GFCCVEGCSA-N 0 0 268.788 2.572 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC(C2CCCCC2)C1 ZINC000294314045 296253992 /nfs/dbraw/zinc/25/39/92/296253992.db2.gz OWCWSOOTSQGGPA-UHFFFAOYSA-N 0 0 275.348 2.750 20 10 CFCDRN CNC(=O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000125933972 377201907 /nfs/dbraw/zinc/20/19/07/377201907.db2.gz ZLJRCJYLVJLELD-UHFFFAOYSA-N 0 0 290.388 2.509 20 10 CFCDRN C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126006172 377206380 /nfs/dbraw/zinc/20/63/80/377206380.db2.gz WLLVKDNQMXSBSI-CXAGYDPISA-N 0 0 297.402 2.630 20 10 CFCDRN COc1ccc(N(C)Cc2ccnn2C)cc1Cl ZINC000130271146 377530416 /nfs/dbraw/zinc/53/04/16/377530416.db2.gz GLTRTEDUMWGUCE-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000130949937 377635009 /nfs/dbraw/zinc/63/50/09/377635009.db2.gz FSUFVVHBEMOGCX-MLCYQJTMSA-N 0 0 289.828 2.553 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCCO2)c(OC)c1 ZINC000131694142 377748072 /nfs/dbraw/zinc/74/80/72/377748072.db2.gz AKFNQWJXHWRGNQ-ZDUSSCGKSA-N 0 0 265.353 2.709 20 10 CFCDRN CCCOc1ccc(C[N@@H+]2CCO[C@H](CC)C2)c(O)c1 ZINC000132020305 377792012 /nfs/dbraw/zinc/79/20/12/377792012.db2.gz IBDIFGHBSKEXBY-CQSZACIVSA-N 0 0 279.380 2.792 20 10 CFCDRN CC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132011605 377792176 /nfs/dbraw/zinc/79/21/76/377792176.db2.gz ABIAKNKENFOWIQ-JTQLQIEISA-N 0 0 255.745 2.656 20 10 CFCDRN C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCCO1 ZINC000132959398 377890806 /nfs/dbraw/zinc/89/08/06/377890806.db2.gz ZFYOGIBWOQXIMA-JTQLQIEISA-N 0 0 255.745 2.656 20 10 CFCDRN CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134696880 378044525 /nfs/dbraw/zinc/04/45/25/378044525.db2.gz LTIGNZLUHGGRKH-NSHDSACASA-N 0 0 278.179 2.806 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000150821024 378274516 /nfs/dbraw/zinc/27/45/16/378274516.db2.gz JKXQDHDSTADEIB-HUUCEWRRSA-N 0 0 287.407 2.694 20 10 CFCDRN Cc1ccc(O[C@H](C)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000151722929 378353298 /nfs/dbraw/zinc/35/32/98/378353298.db2.gz PPXAWOFXMPKHNB-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN CCC(=CC(=O)NCc1cccc(OC)c1O)CC ZINC000154427632 378566145 /nfs/dbraw/zinc/56/61/45/378566145.db2.gz VEJWYUCQCVEAHE-UHFFFAOYSA-N 0 0 263.337 2.763 20 10 CFCDRN CCN(CC)c1ccc(CN2CCOCC2)cc1F ZINC000154519518 378574945 /nfs/dbraw/zinc/57/49/45/378574945.db2.gz QWEAPWAWUDNTRZ-UHFFFAOYSA-N 0 0 266.360 2.504 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c(O)c1O ZINC000529577130 383734138 /nfs/dbraw/zinc/73/41/38/383734138.db2.gz JIEOEGCMTZCYKA-GRYCIOLGSA-N 0 0 275.348 2.572 20 10 CFCDRN COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CCO2 ZINC000173218783 379714582 /nfs/dbraw/zinc/71/45/82/379714582.db2.gz JGYLIAMXRCFRON-QPJJXVBHSA-N 0 0 296.326 2.529 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000175391354 380056084 /nfs/dbraw/zinc/05/60/84/380056084.db2.gz MRDQYODQLVFIHN-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN CO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177112987 380305767 /nfs/dbraw/zinc/30/57/67/380305767.db2.gz WOSLJXXLNDFUNL-CYBMUJFWSA-N 0 0 297.782 2.859 20 10 CFCDRN CCc1ccc(/C=C2\SC(=S)N(C)C2=O)o1 ZINC000177641004 380362243 /nfs/dbraw/zinc/36/22/43/380362243.db2.gz LKBLEAXFPKNNLF-TWGQIWQCSA-N 0 0 253.348 2.673 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c(O)c1O ZINC000179460548 380547017 /nfs/dbraw/zinc/54/70/17/380547017.db2.gz UQPWROMJPUZWNP-NSHDSACASA-N 0 0 286.331 2.634 20 10 CFCDRN C[C@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179660999 380568906 /nfs/dbraw/zinc/56/89/06/380568906.db2.gz CUISMPOEVHVMGD-LBPRGKRZSA-N 0 0 250.411 2.690 20 10 CFCDRN CC(C)CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180273915 380642070 /nfs/dbraw/zinc/64/20/70/380642070.db2.gz BGVGYQUCDRCQHN-CQSZACIVSA-N 0 0 267.344 2.778 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000180028203 380611595 /nfs/dbraw/zinc/61/15/95/380611595.db2.gz RLJDBGDMADULSF-NSHDSACASA-N 0 0 269.772 2.965 20 10 CFCDRN CC(C)Cn1ncnc1CSc1nccs1 ZINC000180040630 380613413 /nfs/dbraw/zinc/61/34/13/380613413.db2.gz ZTZXVLIFAKUFCB-UHFFFAOYSA-N 0 0 254.384 2.683 20 10 CFCDRN C[C@@H](C1CC1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180712442 380692791 /nfs/dbraw/zinc/69/27/91/380692791.db2.gz PDWBIDLQDXNSFL-BWLWAFFFSA-N 0 0 287.359 2.901 20 10 CFCDRN Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000180719506 380693731 /nfs/dbraw/zinc/69/37/31/380693731.db2.gz MHBURWIVCZGLOK-XJKSGUPXSA-N 0 0 285.391 2.980 20 10 CFCDRN CCn1nc(C)c(CN(C)c2ccc3c(c2)OCO3)c1C ZINC000180760684 380696077 /nfs/dbraw/zinc/69/60/77/380696077.db2.gz LLGHAVBVJIIYDB-UHFFFAOYSA-N 0 0 287.363 2.885 20 10 CFCDRN COc1cccc(CN(C)c2ccc3c(c2)OCO3)c1O ZINC000180759070 380696572 /nfs/dbraw/zinc/69/65/72/380696572.db2.gz YPQYASMEPAVKHZ-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424146 380657344 /nfs/dbraw/zinc/65/73/44/380657344.db2.gz MNPFFCSHPLYERI-AAEUAGOBSA-N 0 0 282.815 2.960 20 10 CFCDRN CC(C)(C)OCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000181357716 380780938 /nfs/dbraw/zinc/78/09/38/380780938.db2.gz XZNBXAUVQOISOR-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CCCCO2)s1 ZINC000295389103 380824499 /nfs/dbraw/zinc/82/44/99/380824499.db2.gz UWXIXPJBYJMUFM-QMMMGPOBSA-N 0 0 273.379 2.591 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CCCCC2(F)F)c1O ZINC000295377081 380819130 /nfs/dbraw/zinc/81/91/30/380819130.db2.gz XGONIVYFFIUXSD-NSHDSACASA-N 0 0 299.317 2.843 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000287595165 380878387 /nfs/dbraw/zinc/87/83/87/380878387.db2.gz RTGMTVVWHYFTHT-KWBADKCTSA-N 0 0 255.333 2.995 20 10 CFCDRN CC[C@H]([NH2+]CCC[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000287522054 380854191 /nfs/dbraw/zinc/85/41/91/380854191.db2.gz ONVPUHWDKGVHEM-MFKMUULPSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(F)cc1[O-] ZINC000287668339 380904369 /nfs/dbraw/zinc/90/43/69/380904369.db2.gz VRDHKWVQHFDJFH-CQSZACIVSA-N 0 0 297.370 2.504 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1[O-] ZINC000368098927 380921226 /nfs/dbraw/zinc/92/12/26/380921226.db2.gz DAWCDNUWLARPFE-AAEUAGOBSA-N 0 0 289.354 2.853 20 10 CFCDRN CCOc1cccc(CN[C@@H](C)C(F)(F)F)c1O ZINC000288477065 381013133 /nfs/dbraw/zinc/01/31/33/381013133.db2.gz PKSRSDIJTLKLNQ-QMMMGPOBSA-N 0 0 263.259 2.831 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncs1 ZINC000289149748 381026511 /nfs/dbraw/zinc/02/65/11/381026511.db2.gz RQGCXUJUBIFFGL-UHFFFAOYSA-N 0 0 289.404 2.871 20 10 CFCDRN COCc1noc(CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000182455533 381091391 /nfs/dbraw/zinc/09/13/91/381091391.db2.gz ZEVWXWGIMVCAHN-UHFFFAOYSA-N 0 0 297.742 2.514 20 10 CFCDRN Cc1ccc(C(=O)N(C)CCc2cccs2)c(O)c1O ZINC000182524274 381106852 /nfs/dbraw/zinc/10/68/52/381106852.db2.gz VPAHQKZDYRXZBH-UHFFFAOYSA-N 0 0 291.372 2.782 20 10 CFCDRN CC[C@@H](CSC)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182983922 381193324 /nfs/dbraw/zinc/19/33/24/381193324.db2.gz AFJDKZGADFIZAL-JTQLQIEISA-N 0 0 283.393 2.620 20 10 CFCDRN Cc1nc(NCc2c(C)c3ccccc3n2C)n[nH]1 ZINC000295994183 381202997 /nfs/dbraw/zinc/20/29/97/381202997.db2.gz NVVAVQMQTRAOSL-UHFFFAOYSA-N 0 0 255.325 2.525 20 10 CFCDRN COc1c(O)c(CN2CCC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000296119847 381263070 /nfs/dbraw/zinc/26/30/70/381263070.db2.gz SYBCMIQDBZKZRV-CQSZACIVSA-N 0 0 298.314 2.633 20 10 CFCDRN Cc1nc(Cl)cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000183599938 381292987 /nfs/dbraw/zinc/29/29/87/381292987.db2.gz VBTOMPUCBYVZHV-QMMMGPOBSA-N 0 0 293.754 2.893 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C[C@H]1C ZINC000296530176 381435588 /nfs/dbraw/zinc/43/55/88/381435588.db2.gz NFSJICKVLADLJS-NQBHXWOUSA-N 0 0 277.364 2.786 20 10 CFCDRN CC[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000296541764 381441340 /nfs/dbraw/zinc/44/13/40/381441340.db2.gz RALNKBNDWGSNBX-OAHLLOKOSA-N 0 0 299.422 2.989 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C)[C@H]2C)c1O ZINC000184694221 381462552 /nfs/dbraw/zinc/46/25/52/381462552.db2.gz FTNALIUTKIMRFU-ZJUUUORDSA-N 0 0 285.771 2.663 20 10 CFCDRN CCS[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000297296515 381556741 /nfs/dbraw/zinc/55/67/41/381556741.db2.gz VEHZMWRLFPVJOG-CYBMUJFWSA-N 0 0 266.410 2.663 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NCCC(C)(F)F)cc1 ZINC000297288280 381556909 /nfs/dbraw/zinc/55/69/09/381556909.db2.gz VXQXLLSHRHIWQR-UHFFFAOYSA-N 0 0 299.365 2.939 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185349476 381607785 /nfs/dbraw/zinc/60/77/85/381607785.db2.gz LFJBXCFSVBBZIE-UWVGGRQHSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185512925 381655081 /nfs/dbraw/zinc/65/50/81/381655081.db2.gz QMKMWRSUCXWLRB-XPTSAGLGSA-N 0 0 281.352 2.977 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H](Cc2ccccc2)C1 ZINC000185726246 381716384 /nfs/dbraw/zinc/71/63/84/381716384.db2.gz OZSRCXKFGWUIKY-CQSZACIVSA-N 0 0 297.354 2.803 20 10 CFCDRN Oc1ccccc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185637076 381689834 /nfs/dbraw/zinc/68/98/34/381689834.db2.gz GZILWYVFQSRSHL-UHFFFAOYSA-N 0 0 283.371 2.876 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1COc2ccccc2C1 ZINC000298768453 381743689 /nfs/dbraw/zinc/74/36/89/381743689.db2.gz BLFYTAHPAIUJAN-HNNXBMFYSA-N 0 0 297.354 2.602 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000186153519 381836345 /nfs/dbraw/zinc/83/63/45/381836345.db2.gz HXXZSBDLPFOHFO-RNCFNFMXSA-N 0 0 253.317 2.607 20 10 CFCDRN Oc1ccc(F)cc1CN1CCOC[C@H]1c1ccco1 ZINC000373120894 381932623 /nfs/dbraw/zinc/93/26/23/381932623.db2.gz HXZDFKCVFUOQNE-ZDUSSCGKSA-N 0 0 277.295 2.698 20 10 CFCDRN CN(C)c1ccc(C2=CCN(Cc3ccon3)C2)cc1 ZINC000373127454 381932999 /nfs/dbraw/zinc/93/29/99/381932999.db2.gz WYMJJIKJUXSXEZ-UHFFFAOYSA-N 0 0 269.348 2.640 20 10 CFCDRN Cc1noc2ncnc(N3CC=C(c4cccnc4)CC3)c12 ZINC000375600550 382092483 /nfs/dbraw/zinc/09/24/83/382092483.db2.gz UYXSXLHQUBTGSS-UHFFFAOYSA-N 0 0 293.330 2.615 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293622597 382201703 /nfs/dbraw/zinc/20/17/03/382201703.db2.gz MOADZNVXDPUWRC-SCZZXKLOSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293658875 382220531 /nfs/dbraw/zinc/22/05/31/382220531.db2.gz PIJJNNKEXATHHW-DTWKUNHWSA-N 0 0 275.751 2.681 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000293688190 382233082 /nfs/dbraw/zinc/23/30/82/382233082.db2.gz SBUPKRDPHQIZPO-CYBMUJFWSA-N 0 0 299.729 2.909 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000377236947 382240182 /nfs/dbraw/zinc/24/01/82/382240182.db2.gz GWXLGRCVXJWKNJ-UKRRQHHQSA-N 0 0 291.391 2.649 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C[C@H](C)O ZINC000187730699 382258495 /nfs/dbraw/zinc/25/84/95/382258495.db2.gz PKGPBVDTWSDKIW-UTLUCORTSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)c(F)c1[O-] ZINC000187796341 382270598 /nfs/dbraw/zinc/27/05/98/382270598.db2.gz UFACEQNTWLAMKW-WPRPVWTQSA-N 0 0 293.317 2.602 20 10 CFCDRN Cc1c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000187807723 382273745 /nfs/dbraw/zinc/27/37/45/382273745.db2.gz LHDIARYKNKFIEX-QMMMGPOBSA-N 0 0 281.306 2.563 20 10 CFCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]1c1ccncc1 ZINC000293849099 382304837 /nfs/dbraw/zinc/30/48/37/382304837.db2.gz JAQFEQNLOFVAHH-OAHLLOKOSA-N 0 0 298.342 2.716 20 10 CFCDRN Cc1cccc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000293855228 382307452 /nfs/dbraw/zinc/30/74/52/382307452.db2.gz HZJPSJKSSYCZGU-CQSZACIVSA-N 0 0 269.344 2.797 20 10 CFCDRN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377890500 382365977 /nfs/dbraw/zinc/36/59/77/382365977.db2.gz VWADLTFEXSTLHF-GFCCVEGCSA-N 0 0 291.782 2.769 20 10 CFCDRN Cc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000293989697 382367828 /nfs/dbraw/zinc/36/78/28/382367828.db2.gz RYWOZUWIMBGFBA-AWEZNQCLSA-N 0 0 261.365 2.580 20 10 CFCDRN O=C1OCCC12CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC000378442182 382461351 /nfs/dbraw/zinc/46/13/51/382461351.db2.gz JAJSANWYXKYUKN-UHFFFAOYSA-N 0 0 295.766 2.575 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000378496852 382473041 /nfs/dbraw/zinc/47/30/41/382473041.db2.gz NQYOCPHSSLIONM-LLVKDONJSA-N 0 0 275.327 2.634 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CSC(F)F)cc1 ZINC000294277280 382490497 /nfs/dbraw/zinc/49/04/97/382490497.db2.gz FEVAKMUAZIBTRK-UHFFFAOYSA-N 0 0 288.363 2.667 20 10 CFCDRN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294713588 382525384 /nfs/dbraw/zinc/52/53/84/382525384.db2.gz OXSODFBTCCLWCQ-UFBFGSQYSA-N 0 0 273.735 2.699 20 10 CFCDRN Cn1cc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294808782 382529479 /nfs/dbraw/zinc/52/94/79/382529479.db2.gz DVWFSRWBKWIHJR-UHFFFAOYSA-N 0 0 283.734 2.550 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294320842 382508309 /nfs/dbraw/zinc/50/83/09/382508309.db2.gz QYDVWNXULUNVOP-UHFFFAOYSA-N 0 0 297.761 2.939 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294391229 382511828 /nfs/dbraw/zinc/51/18/28/382511828.db2.gz VITYZYYGZZCPMG-SECBINFHSA-N 0 0 283.734 2.560 20 10 CFCDRN CN(C)CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000294522932 382516170 /nfs/dbraw/zinc/51/61/70/382516170.db2.gz CPWKKUGNSOCZTB-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN CC[N@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000294889057 382540062 /nfs/dbraw/zinc/54/00/62/382540062.db2.gz LMTRASFPBTVARS-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN CCC[C@H](OC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294979321 382558531 /nfs/dbraw/zinc/55/85/31/382558531.db2.gz NUKAYTPVNGZOFY-INIZCTEOSA-N 0 0 291.391 2.702 20 10 CFCDRN CCC[C@@H](OC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000294979323 382558783 /nfs/dbraw/zinc/55/87/83/382558783.db2.gz NUKAYTPVNGZOFY-MRXNPFEDSA-N 0 0 291.391 2.702 20 10 CFCDRN CC[C@@H]([NH2+]CCc1nccnc1C)c1ccc(F)cc1[O-] ZINC000295033597 382563706 /nfs/dbraw/zinc/56/37/06/382563706.db2.gz OUEYYHNYTCTCGH-CQSZACIVSA-N 0 0 289.354 2.913 20 10 CFCDRN CC(C)(C[NH2+]Cc1cc(F)ccc1O)c1ccccn1 ZINC000294884654 382538084 /nfs/dbraw/zinc/53/80/84/382538084.db2.gz VYKJWXZUCODMDN-UHFFFAOYSA-N 0 0 274.339 2.994 20 10 CFCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295249683 382598734 /nfs/dbraw/zinc/59/87/34/382598734.db2.gz GSJGZRDFWCDTJU-KBPBESRZSA-N 0 0 291.391 2.973 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC000191175550 382694267 /nfs/dbraw/zinc/69/42/67/382694267.db2.gz LJTTVZNBENZDHY-PRHODGIISA-N 0 0 290.190 2.902 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000248527922 383253613 /nfs/dbraw/zinc/25/36/13/383253613.db2.gz IFEKNVZZPZUSNS-CHWSQXEVSA-N 0 0 278.396 2.536 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCOc2cccc(F)c21 ZINC000254930269 383472074 /nfs/dbraw/zinc/47/20/74/383472074.db2.gz QGQLOYFMMUNZEH-SREVYHEPSA-N 0 0 284.290 2.660 20 10 CFCDRN CN(C(=O)/C=C\c1cccnc1)c1ccccc1F ZINC000255564860 383484449 /nfs/dbraw/zinc/48/44/49/383484449.db2.gz NNYQBGBYPMMMSZ-HJWRWDBZSA-N 0 0 256.280 2.897 20 10 CFCDRN Cc1nccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000266342894 384153953 /nfs/dbraw/zinc/15/39/53/384153953.db2.gz IMKKJLLHISZLGW-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(F)c1 ZINC000268477095 384624738 /nfs/dbraw/zinc/62/47/38/384624738.db2.gz XSCSKQLLHJUFNM-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN O=C(C=C1CCCCC1)NCCc1ccc(O)c(O)c1 ZINC000269225080 384738164 /nfs/dbraw/zinc/73/81/64/384738164.db2.gz RVAWHMIMUWRKAD-UHFFFAOYSA-N 0 0 275.348 2.647 20 10 CFCDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269256140 384741272 /nfs/dbraw/zinc/74/12/72/384741272.db2.gz OZGJUMTUBXYTHU-QGZVFWFLSA-N 0 0 280.371 2.923 20 10 CFCDRN CCN(C[C@@H](O)COCC(C)C)c1ccc(OC)cc1 ZINC000269659892 384825738 /nfs/dbraw/zinc/82/57/38/384825738.db2.gz XKFJTADLALSSTD-OAHLLOKOSA-N 0 0 281.396 2.555 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccc(OC)cc1 ZINC000270097370 384975431 /nfs/dbraw/zinc/97/54/31/384975431.db2.gz DNAVMCVLWIYLDW-IZZDOVSWSA-N 0 0 299.374 2.803 20 10 CFCDRN O=C(NC[C@@H]1CCCC(F)(F)C1)c1cccc(O)c1O ZINC000282295978 385275544 /nfs/dbraw/zinc/27/55/44/385275544.db2.gz RZQRVERIGRSXRP-SECBINFHSA-N 0 0 285.290 2.653 20 10 CFCDRN CCCCN(Cc1nnc(C)o1)Cc1ccccc1O ZINC000282386165 385298367 /nfs/dbraw/zinc/29/83/67/385298367.db2.gz GKQJGKQGVHIIKI-UHFFFAOYSA-N 0 0 275.352 2.886 20 10 CFCDRN CCN(Cc1cc(OC)c(OC)cc1O)CC(F)(F)F ZINC000271089486 385333848 /nfs/dbraw/zinc/33/38/48/385333848.db2.gz KIORGCJVGSGCRR-UHFFFAOYSA-N 0 0 293.285 2.794 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCC(F)(F)C1 ZINC000282524874 385334387 /nfs/dbraw/zinc/33/43/87/385334387.db2.gz PTTPWTRSAKMBFW-NSHDSACASA-N 0 0 299.317 2.582 20 10 CFCDRN Cc1nccc(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000271509314 385384543 /nfs/dbraw/zinc/38/45/43/385384543.db2.gz YKCNYBKUBTVJJY-OAHLLOKOSA-N 0 0 299.374 2.676 20 10 CFCDRN CC(C)(C)n1ncnc1CNCc1c(O)cccc1Cl ZINC000282775492 385386568 /nfs/dbraw/zinc/38/65/68/385386568.db2.gz VFXXCUUPVIVQFM-UHFFFAOYSA-N 0 0 294.786 2.682 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000271874443 385395362 /nfs/dbraw/zinc/39/53/62/385395362.db2.gz SSXVDOQBEPBXIG-GXFFZTMASA-N 0 0 269.772 2.638 20 10 CFCDRN COc1ccc(N(C)CCc2ccnn2C)cc1Cl ZINC000284471596 385548598 /nfs/dbraw/zinc/54/85/98/385548598.db2.gz SQMAMEWZOVLMHB-UHFFFAOYSA-N 0 0 279.771 2.761 20 10 CFCDRN CCN(CCc1cnn(CC)c1)c1ccc(OC)cc1 ZINC000285030603 385551344 /nfs/dbraw/zinc/55/13/44/385551344.db2.gz NAZRRQXTJIQINF-UHFFFAOYSA-N 0 0 273.380 2.981 20 10 CFCDRN CC[C@@H]([NH2+]CCN(C)CCCOC)c1ccc(F)cc1[O-] ZINC000285897910 385557735 /nfs/dbraw/zinc/55/77/35/385557735.db2.gz COJINBAPMFAEFR-OAHLLOKOSA-N 0 0 298.402 2.540 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000286244581 385576842 /nfs/dbraw/zinc/57/68/42/385576842.db2.gz UDNOVSOVCHARAX-WCQYABFASA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000286244578 385576903 /nfs/dbraw/zinc/57/69/03/385576903.db2.gz UDNOVSOVCHARAX-DGCLKSJQSA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@@H](O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286256138 385578304 /nfs/dbraw/zinc/57/83/04/385578304.db2.gz UOKGHGULOMHYSK-YPMHNXCESA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H](O)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286256133 385578675 /nfs/dbraw/zinc/57/86/75/385578675.db2.gz UOKGHGULOMHYSK-DGCLKSJQSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CCN1CCSCC1)c1ccc(F)cc1[O-] ZINC000286294908 385584075 /nfs/dbraw/zinc/58/40/75/385584075.db2.gz WITMJSREQRGZHX-CQSZACIVSA-N 0 0 298.427 2.621 20 10 CFCDRN CCc1cc(NCc2cccc(OC)c2O)nc(C)n1 ZINC000272932822 385658850 /nfs/dbraw/zinc/65/88/50/385658850.db2.gz VPSYTRPGJQCREN-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCC2)c1 ZINC000273301125 385675745 /nfs/dbraw/zinc/67/57/45/385675745.db2.gz BJQABVNVMSYQIH-JTQLQIEISA-N 0 0 263.337 2.630 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273480035 385684341 /nfs/dbraw/zinc/68/43/41/385684341.db2.gz LVDZBYDJRGWPTG-JFGNBEQYSA-N 0 0 253.317 2.749 20 10 CFCDRN CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273613438 385690864 /nfs/dbraw/zinc/69/08/64/385690864.db2.gz WUEJELBHLSHDPP-FNBIGBAISA-N 0 0 294.370 2.629 20 10 CFCDRN CCc1nc(C)cc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000286743251 385701414 /nfs/dbraw/zinc/70/14/14/385701414.db2.gz GJYTWFKJYAKNOO-SNVBAGLBSA-N 0 0 287.363 2.802 20 10 CFCDRN CCN(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000286747587 385702229 /nfs/dbraw/zinc/70/22/29/385702229.db2.gz UQVNYDQXQQHIJY-UHFFFAOYSA-N 0 0 263.385 2.646 20 10 CFCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000286867622 385728139 /nfs/dbraw/zinc/72/81/39/385728139.db2.gz HANSEDNNMJCJIE-SKDRFNHKSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@@H]([NH2+]CCn1ccnc1)c1cccc(Cl)c1[O-] ZINC000286977630 385753309 /nfs/dbraw/zinc/75/33/09/385753309.db2.gz OEZPDGCGLIANLD-CYBMUJFWSA-N 0 0 279.771 2.983 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000287053761 385771159 /nfs/dbraw/zinc/77/11/59/385771159.db2.gz NAVFDENJVVBQIG-DJSGYFEHSA-N 0 0 279.380 2.745 20 10 CFCDRN COc1cccc(CNC(=O)c2cc[nH]c2C(C)C)c1O ZINC000286849998 385722305 /nfs/dbraw/zinc/72/23/05/385722305.db2.gz WWFKVFFTKFRUHF-UHFFFAOYSA-N 0 0 288.347 2.782 20 10 CFCDRN C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000287183082 385798558 /nfs/dbraw/zinc/79/85/58/385798558.db2.gz VIIKRFNAXUIKEK-SECBINFHSA-N 0 0 269.291 2.668 20 10 CFCDRN CCC(C)(C)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372444773 393450006 /nfs/dbraw/zinc/45/00/06/393450006.db2.gz BFQSNKOWWBTOJO-UHFFFAOYSA-N 0 0 275.396 2.667 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@H]1C ZINC000372454049 393450187 /nfs/dbraw/zinc/45/01/87/393450187.db2.gz LFIQKKCQRLWNFB-OLZOCXBDSA-N 0 0 287.407 2.619 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1(C2CC2)CCOCC1 ZINC000372529021 393450955 /nfs/dbraw/zinc/45/09/55/393450955.db2.gz LYHMGBZRMSQCRC-UHFFFAOYSA-N 0 0 289.375 2.557 20 10 CFCDRN CCc1ccsc1C(=O)NCc1cccc(OC)c1O ZINC000105650181 393864328 /nfs/dbraw/zinc/86/43/28/393864328.db2.gz URJHILFDXLLWHL-UHFFFAOYSA-N 0 0 291.372 2.955 20 10 CFCDRN COc1cccc(CNC(=O)CSC(C)(C)C)c1O ZINC000105651986 393864760 /nfs/dbraw/zinc/86/47/60/393864760.db2.gz KHWBJTIQRVNMQM-UHFFFAOYSA-N 0 0 283.393 2.549 20 10 CFCDRN CN(Cc1nc(C(C)(C)C)no1)Cc1ccccc1O ZINC000109769678 393879660 /nfs/dbraw/zinc/87/96/60/393879660.db2.gz RGWWCMMIUQFQAZ-UHFFFAOYSA-N 0 0 275.352 2.705 20 10 CFCDRN C[C@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1O ZINC000109771173 393879729 /nfs/dbraw/zinc/87/97/29/393879729.db2.gz WVPXDNSYPHVCKT-SNVBAGLBSA-N 0 0 273.336 2.846 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)COC(C)(C)C ZINC000348663324 393955549 /nfs/dbraw/zinc/95/55/49/393955549.db2.gz SILDRWBTYILTLT-UHFFFAOYSA-N 0 0 288.391 2.918 20 10 CFCDRN CCc1ocnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348634574 393955772 /nfs/dbraw/zinc/95/57/72/393955772.db2.gz JQAUJCZJHILQGM-UHFFFAOYSA-N 0 0 297.358 2.967 20 10 CFCDRN CO[C@H](C)CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348635955 393955853 /nfs/dbraw/zinc/95/58/53/393955853.db2.gz PFFOBMXGARBRNZ-GFCCVEGCSA-N 0 0 288.391 2.918 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)COCC1CC1 ZINC000348637142 393955886 /nfs/dbraw/zinc/95/58/86/393955886.db2.gz UORYHYWFIXWZNY-UHFFFAOYSA-N 0 0 286.375 2.530 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CCOC1 ZINC000348671801 393956481 /nfs/dbraw/zinc/95/64/81/393956481.db2.gz ZAMIZAPCVCWQPK-CYBMUJFWSA-N 0 0 286.375 2.530 20 10 CFCDRN CCn1cc(C(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000348701310 393956613 /nfs/dbraw/zinc/95/66/13/393956613.db2.gz QAMMQGZNIDWGTG-UHFFFAOYSA-N 0 0 296.374 2.633 20 10 CFCDRN CCS[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000122064592 393964236 /nfs/dbraw/zinc/96/42/36/393964236.db2.gz SKIAPRPXHGLXIC-AWEZNQCLSA-N 0 0 297.420 2.534 20 10 CFCDRN CCN(C)C(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000263647047 393965190 /nfs/dbraw/zinc/96/51/90/393965190.db2.gz AKYNTZFEFIANFC-UHFFFAOYSA-N 0 0 282.359 2.527 20 10 CFCDRN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccccc1O ZINC000274371879 394041943 /nfs/dbraw/zinc/04/19/43/394041943.db2.gz KWYOTBVNBXWLQF-LLVKDONJSA-N 0 0 289.404 2.588 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000492499387 394069515 /nfs/dbraw/zinc/06/95/15/394069515.db2.gz GCKIXONSWXAZEZ-BJMVGYQFSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCOCc3ccccc32)cn1 ZINC000492705730 394074870 /nfs/dbraw/zinc/07/48/70/394074870.db2.gz MIUZBKAMECIVHP-HJWRWDBZSA-N 0 0 294.354 2.967 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cncs2)c2ccccc21 ZINC000493050930 394134569 /nfs/dbraw/zinc/13/45/69/394134569.db2.gz FUBNHEMDBUSUQR-SREVYHEPSA-N 0 0 285.372 2.639 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2cc(F)ccc21 ZINC000493167922 394167861 /nfs/dbraw/zinc/16/78/61/394167861.db2.gz QPGLILWLGBZYTF-RJRFIUFISA-N 0 0 286.281 2.962 20 10 CFCDRN CC[C@@H]([NH2+]CCCC(=O)NC)c1cccc(Cl)c1[O-] ZINC000287697892 394208458 /nfs/dbraw/zinc/20/84/58/394208458.db2.gz NNBHZSWANXZXBP-GFCCVEGCSA-N 0 0 284.787 2.613 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1ccccc1F ZINC000493321862 394210407 /nfs/dbraw/zinc/21/04/07/394210407.db2.gz MPTULARBZAUGFP-VOTSOKGWSA-N 0 0 262.309 2.958 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C\c1ccn(C)c1 ZINC000493846023 394328785 /nfs/dbraw/zinc/32/87/85/394328785.db2.gz CCCWWAXALKARJQ-KTKRTIGZSA-N 0 0 283.375 2.767 20 10 CFCDRN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287604885 286902066 /nfs/dbraw/zinc/90/20/66/286902066.db2.gz ITOVKGQJJCASCA-GFCCVEGCSA-N 0 0 284.787 2.565 20 10 CFCDRN C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134899678 287098880 /nfs/dbraw/zinc/09/88/80/287098880.db2.gz SJXSAVLYCZQYMM-RQJHMYQMSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@H](NCc1nnc(C2CC2)[nH]1)c1cc(Cl)ccc1O ZINC000296228221 263187717 /nfs/dbraw/zinc/18/77/17/263187717.db2.gz BXOWRZSASRXFBH-QMMMGPOBSA-N 0 0 292.770 2.892 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cnn(C)c2)cc1 ZINC000299572874 263248457 /nfs/dbraw/zinc/24/84/57/263248457.db2.gz NPGGFTPCQIOUCF-UHFFFAOYSA-N 0 0 259.353 2.845 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367738662 267114614 /nfs/dbraw/zinc/11/46/14/267114614.db2.gz BRXSQNLMCKRPIB-YPMHNXCESA-N 0 0 281.783 2.904 20 10 CFCDRN C[C@H]1C[C@H]1c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC000368034847 267138947 /nfs/dbraw/zinc/13/89/47/267138947.db2.gz GCDHPEZBZVHACP-GXSJLCMTSA-N 0 0 287.315 2.744 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2ccco2)cc1 ZINC000369769875 267265347 /nfs/dbraw/zinc/26/53/47/267265347.db2.gz BMPJWLVRZVHLLG-MRXNPFEDSA-N 0 0 286.375 2.919 20 10 CFCDRN CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273350619 279918860 /nfs/dbraw/zinc/91/88/60/279918860.db2.gz BOYCXSGRCMNUSC-XHDPSFHLSA-N 0 0 281.371 2.979 20 10 CFCDRN C[C@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)c2nccn21 ZINC000295272744 280011835 /nfs/dbraw/zinc/01/18/35/280011835.db2.gz SDGAPRUBTNRZLM-FZMZJTMJSA-N 0 0 288.370 2.884 20 10 CFCDRN CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171419 280102813 /nfs/dbraw/zinc/10/28/13/280102813.db2.gz GWRAGJIWTDSRLB-SNVBAGLBSA-N 0 0 285.771 2.819 20 10 CFCDRN C[C@@H]1COc2ccccc2CN1C(=O)c1cccc(O)c1O ZINC000365623696 288398489 /nfs/dbraw/zinc/39/84/89/288398489.db2.gz CQPLZJCNGSRDBH-LLVKDONJSA-N 0 0 299.326 2.521 20 10 CFCDRN CO[C@@](C)(C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000291009758 294075366 /nfs/dbraw/zinc/07/53/66/294075366.db2.gz DVZYWXAJMPYZBS-AWEZNQCLSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(O)c1O ZINC000187100248 300453085 /nfs/dbraw/zinc/45/30/85/300453085.db2.gz BFSVGSOHRQQEHW-GVXVVHGQSA-N 0 0 275.348 2.891 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCOC[C@H]2C)c1O ZINC000271696098 301286585 /nfs/dbraw/zinc/28/65/85/301286585.db2.gz AZNWKNKUHVZTMD-SNVBAGLBSA-N 0 0 255.745 2.575 20 10 CFCDRN C[C@@H](CC(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000413530825 328148818 /nfs/dbraw/zinc/14/88/18/328148818.db2.gz KKQRPTLQHBHTOB-JTQLQIEISA-N 0 0 298.333 2.769 20 10 CFCDRN Cc1cc(CNCc2c(C)c3ccccc3n2C)nn1C ZINC000414450133 328177143 /nfs/dbraw/zinc/17/71/43/328177143.db2.gz WGZFIDDHWOATJB-UHFFFAOYSA-N 0 0 282.391 2.818 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)cc1[O-] ZINC000296583752 327108005 /nfs/dbraw/zinc/10/80/05/327108005.db2.gz UNJYYAQJOPLLGQ-WDEREUQCSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000296583747 327108100 /nfs/dbraw/zinc/10/81/00/327108100.db2.gz UNJYYAQJOPLLGQ-MNOVXSKESA-N 0 0 255.333 2.733 20 10 CFCDRN COc1nc(C)cc(NCc2c(C)c3ccccc3n2C)n1 ZINC000359839222 328899621 /nfs/dbraw/zinc/89/96/21/328899621.db2.gz ATMBXKIUJJZWER-UHFFFAOYSA-N 0 0 296.374 2.628 20 10 CFCDRN CCn1nncc1COc1ccc2c(c1)c(C)c(C)n2C ZINC000421199134 329807541 /nfs/dbraw/zinc/80/75/41/329807541.db2.gz MFPNWZNBGKBYFK-UHFFFAOYSA-N 0 0 284.363 2.986 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000278773049 330120324 /nfs/dbraw/zinc/12/03/24/330120324.db2.gz XZOQXVOIRKSJCB-NRUUGDAUSA-N 0 0 253.317 2.607 20 10 CFCDRN CC[C@@H](C)Oc1nccnc1N(C)Cc1ccccc1O ZINC000527942298 330293973 /nfs/dbraw/zinc/29/39/73/330293973.db2.gz UNNZXRYRZRYCOS-GFCCVEGCSA-N 0 0 287.363 2.996 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1cccc(Cl)c1[O-] ZINC000527923062 330295959 /nfs/dbraw/zinc/29/59/59/330295959.db2.gz IRDDSHMWARNABW-CYBMUJFWSA-N 0 0 294.786 2.898 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCSc2ccccc21 ZINC000491149883 332157083 /nfs/dbraw/zinc/15/70/83/332157083.db2.gz BREKQVAYDKGBLI-AATRIKPKSA-N 0 0 283.356 2.629 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C/c1cnccn1)CC2 ZINC000491292171 332182933 /nfs/dbraw/zinc/18/29/33/332182933.db2.gz WACFZPPBWXWRIQ-VOTSOKGWSA-N 0 0 279.343 2.642 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCc2c1cccc2Cl ZINC000492113691 332383475 /nfs/dbraw/zinc/38/34/75/332383475.db2.gz XOWPUEXWJLDLIQ-PLNGDYQASA-N 0 0 285.734 2.733 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCc2c1cccc2Cl ZINC000492113692 332383491 /nfs/dbraw/zinc/38/34/91/332383491.db2.gz XOWPUEXWJLDLIQ-SNAWJCMRSA-N 0 0 285.734 2.733 20 10 CFCDRN CN(C(=O)/C=C/c1cnccn1)c1ccc(F)c(Cl)c1 ZINC000492387030 332395146 /nfs/dbraw/zinc/39/51/46/332395146.db2.gz ONQKUNYEMCKNMZ-GORDUTHDSA-N 0 0 291.713 2.945 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc(OC)cc1 ZINC000492397893 332395672 /nfs/dbraw/zinc/39/56/72/332395672.db2.gz KRKZTOMLIIPFSC-RUDMXATFSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2cnccc2C)cn1 ZINC000492584733 332404382 /nfs/dbraw/zinc/40/43/82/332404382.db2.gz BVZGGJFAAXVNSO-VOTSOKGWSA-N 0 0 267.332 2.770 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1 ZINC000492676255 332409241 /nfs/dbraw/zinc/40/92/41/332409241.db2.gz IEFIQBJQAVXLAH-KTKRTIGZSA-N 0 0 283.331 2.552 20 10 CFCDRN CN1CCN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc21 ZINC000174460662 332999427 /nfs/dbraw/zinc/99/94/27/332999427.db2.gz ATCHYXVWGAKFHS-QPJJXVBHSA-N 0 0 297.333 2.717 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC12CC2 ZINC000528994440 333468094 /nfs/dbraw/zinc/46/80/94/333468094.db2.gz BWMCPKTVZIHWMS-AAEUAGOBSA-N 0 0 289.375 2.725 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCSc3ccncc32)c1 ZINC000132689901 334000882 /nfs/dbraw/zinc/00/08/82/334000882.db2.gz VTCDOFYEPNLKQJ-NSCUHMNNSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2ncccc2F)c1 ZINC000134107537 334080519 /nfs/dbraw/zinc/08/05/19/334080519.db2.gz FQVIBCZDOUEJDV-AATRIKPKSA-N 0 0 271.295 2.600 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000230664153 519814000 /nfs/dbraw/zinc/81/40/00/519814000.db2.gz NFAOOGXJJSVEBX-MFKMUULPSA-N 0 0 255.333 2.589 20 10 CFCDRN CCCC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180998396 519881549 /nfs/dbraw/zinc/88/15/49/519881549.db2.gz ZTNVSSSHYDWJQD-SOFGYWHQSA-N 0 0 263.337 2.806 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnn(C(C)C)c2)SC1=S ZINC000264726271 521516516 /nfs/dbraw/zinc/51/65/16/521516516.db2.gz AVRJDGSKTBVBQM-BJMVGYQFSA-N 0 0 281.406 2.685 20 10 CFCDRN CC(C)(C)C1=CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000162492714 518599839 /nfs/dbraw/zinc/59/98/39/518599839.db2.gz YSMLFGSFJGSKOA-UHFFFAOYSA-N 0 0 275.348 2.916 20 10 CFCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224823561 518682564 /nfs/dbraw/zinc/68/25/64/518682564.db2.gz MLUXXQPYEPEEQJ-LLVKDONJSA-N 0 0 271.788 2.932 20 10 CFCDRN CC(C)(C)SCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272551903 518908819 /nfs/dbraw/zinc/90/88/19/518908819.db2.gz ZBUWICNHUXUEPD-FNORWQNLSA-N 0 0 295.404 2.759 20 10 CFCDRN CC(C)(O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000274776698 519349475 /nfs/dbraw/zinc/34/94/75/519349475.db2.gz UCPSOLNANJGCSD-UHFFFAOYSA-N 0 0 278.179 2.950 20 10 CFCDRN CC(C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298708317 519709985 /nfs/dbraw/zinc/70/99/85/519709985.db2.gz GSTSDGBPOMGGLL-UHFFFAOYSA-N 0 0 275.396 2.835 20 10 CFCDRN CC(C)Oc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000151033435 519784212 /nfs/dbraw/zinc/78/42/12/519784212.db2.gz AIYQMJSWKYEBSN-UHFFFAOYSA-N 0 0 298.386 2.915 20 10 CFCDRN CC(C)c1nc(Sc2nccs2)nc(N(C)C)n1 ZINC000271039614 519865767 /nfs/dbraw/zinc/86/57/67/519865767.db2.gz FJAASHKBSSRNLL-UHFFFAOYSA-N 0 0 281.410 2.669 20 10 CFCDRN CCCC(=O)NCc1cccc(Br)c1O ZINC000277616076 519874138 /nfs/dbraw/zinc/87/41/38/519874138.db2.gz VSIWFJVGTMMSKY-UHFFFAOYSA-N 0 0 272.142 2.571 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000292517435 520101265 /nfs/dbraw/zinc/10/12/65/520101265.db2.gz BLYXMXCARSNOTI-LLVKDONJSA-N 0 0 293.363 2.518 20 10 CFCDRN CC(F)(F)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000277342845 520161046 /nfs/dbraw/zinc/16/10/46/520161046.db2.gz NEWDWYDNFCZYIS-UHFFFAOYSA-N 0 0 283.318 2.933 20 10 CFCDRN CCCOCC(=O)N(CCC)Cc1ccccc1O ZINC000066097133 520230592 /nfs/dbraw/zinc/23/05/92/520230592.db2.gz HOIBPPYKQRCNCH-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CC1(C)CN(Cc2ccccc2O)C[C@@H](C(F)(F)F)O1 ZINC000292740978 520484083 /nfs/dbraw/zinc/48/40/83/520484083.db2.gz HLMJIQDOCCDRGH-LBPRGKRZSA-N 0 0 289.297 2.934 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccon1 ZINC000282475577 520547561 /nfs/dbraw/zinc/54/75/61/520547561.db2.gz LCYVWBYUIRXTJJ-UHFFFAOYSA-N 0 0 274.320 2.823 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156630812 520623822 /nfs/dbraw/zinc/62/38/22/520623822.db2.gz UMMFGWRYRRVAHZ-LLVKDONJSA-N 0 0 265.353 2.583 20 10 CFCDRN CCOC(=O)CCCN(C)c1ccc(OC)c(F)c1 ZINC000121745155 520636282 /nfs/dbraw/zinc/63/62/82/520636282.db2.gz RLMUNTGOFWAMEB-UHFFFAOYSA-N 0 0 269.316 2.614 20 10 CFCDRN CC1CCC(=CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182529589 520908646 /nfs/dbraw/zinc/90/86/46/520908646.db2.gz WIPZHDSWVPGYOJ-UHFFFAOYSA-N 0 0 275.348 2.851 20 10 CFCDRN CCC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000264989113 521003066 /nfs/dbraw/zinc/00/30/66/521003066.db2.gz JPVMCTMIIJJRAT-AWEZNQCLSA-N 0 0 290.407 2.576 20 10 CFCDRN CCC[C@H]1SCCN1C(=O)c1ccc(C)c(O)c1O ZINC000179501600 521257594 /nfs/dbraw/zinc/25/75/94/521257594.db2.gz YCOXXCAYBKOGLG-LLVKDONJSA-N 0 0 281.377 2.721 20 10 CFCDRN CCN(Cc1cc(C)ncn1)c1ccc(OC)cc1 ZINC000292535241 521289214 /nfs/dbraw/zinc/28/92/14/521289214.db2.gz PIRYOWHUQJBHJU-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CCOc1cccc(CN(CCOC)CC(F)F)c1O ZINC000092966041 521332614 /nfs/dbraw/zinc/33/26/14/521332614.db2.gz ZWFHFXIGQPQFBN-UHFFFAOYSA-N 0 0 289.322 2.504 20 10 CFCDRN CCOc1cccc(CNc2cnn(CC)c2)c1O ZINC000035780698 521378158 /nfs/dbraw/zinc/37/81/58/521378158.db2.gz FCOLTGRXLHWUBH-UHFFFAOYSA-N 0 0 261.325 2.619 20 10 CFCDRN CCCc1nnc(Sc2ncc([N+](=O)[O-])s2)o1 ZINC000192493930 521572816 /nfs/dbraw/zinc/57/28/16/521572816.db2.gz NGXFWQZXBMIWLS-UHFFFAOYSA-N 0 0 272.311 2.538 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224831859 521608482 /nfs/dbraw/zinc/60/84/82/521608482.db2.gz QFHZGDFKECMACP-ZDUSSCGKSA-N 0 0 271.788 2.932 20 10 CFCDRN CCC1(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000291254343 521680282 /nfs/dbraw/zinc/68/02/82/521680282.db2.gz CHAZHQRXWRWKTJ-UHFFFAOYSA-N 0 0 293.386 2.833 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C=Cc1c[nH]cn1 ZINC000276524643 521686712 /nfs/dbraw/zinc/68/67/12/521686712.db2.gz DAVGELSMBLJWGJ-BQYQJAHWSA-N 0 0 285.347 2.567 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cncnc1 ZINC000293424439 521687844 /nfs/dbraw/zinc/68/78/44/521687844.db2.gz PWAZAJHEYLQICK-UHFFFAOYSA-N 0 0 299.374 2.554 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)OC ZINC000291582566 521688516 /nfs/dbraw/zinc/68/85/16/521688516.db2.gz ZAXBOGSSPJJHQA-OLZOCXBDSA-N 0 0 294.395 2.737 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cncs1 ZINC000264156105 521689909 /nfs/dbraw/zinc/68/99/09/521689909.db2.gz XCJKECOGASINOO-UHFFFAOYSA-N 0 0 276.361 2.901 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cccnc1F ZINC000279283863 521689954 /nfs/dbraw/zinc/68/99/54/521689954.db2.gz XXJDIBLRLDAHGW-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN CCSCCCNC(=O)N(C)Cc1ccccc1O ZINC000282506886 521698050 /nfs/dbraw/zinc/69/80/50/521698050.db2.gz PKIXCUSSKTUNIC-UHFFFAOYSA-N 0 0 282.409 2.677 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000278553065 521872220 /nfs/dbraw/zinc/87/22/20/521872220.db2.gz ZLDNJSUJDYPRBK-UHFFFAOYSA-N 0 0 292.335 2.685 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC=C(C)C)ccc1[N+](=O)[O-] ZINC000278382584 521876928 /nfs/dbraw/zinc/87/69/28/521876928.db2.gz LYRZZNLKFDLIAY-UHFFFAOYSA-N 0 0 280.324 2.755 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278922707 521881501 /nfs/dbraw/zinc/88/15/01/521881501.db2.gz UZTYGXIQILRVEQ-KOLCDFICSA-N 0 0 280.324 2.587 20 10 CFCDRN CCc1cnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000230706244 522036204 /nfs/dbraw/zinc/03/62/04/522036204.db2.gz FRWZIHQSNAUIKB-UHFFFAOYSA-N 0 0 274.389 2.930 20 10 CFCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295361220 522097470 /nfs/dbraw/zinc/09/74/70/522097470.db2.gz NUWLXBUESCNEAS-NSHDSACASA-N 0 0 286.778 2.711 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094949411 522146715 /nfs/dbraw/zinc/14/67/15/522146715.db2.gz USBOCNLHWAUECM-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000294334926 522163493 /nfs/dbraw/zinc/16/34/93/522163493.db2.gz LAVXIJOHCXEGDL-AWEZNQCLSA-N 0 0 294.345 2.899 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2cc[nH]c2)C2CC2)cc1 ZINC000264578946 522163557 /nfs/dbraw/zinc/16/35/57/522163557.db2.gz IGNSKTXOCFFQFV-UHFFFAOYSA-N 0 0 283.375 2.886 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ccc3nccnc3n2)cc1 ZINC000301095418 522172937 /nfs/dbraw/zinc/17/29/37/522172937.db2.gz IXGXESBVLTWBBS-UHFFFAOYSA-N 0 0 293.374 2.727 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])s2)cc1 ZINC000195506393 522173578 /nfs/dbraw/zinc/17/35/78/522173578.db2.gz SJURNILIMDCHRZ-UHFFFAOYSA-N 0 0 292.364 2.754 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC(C)(F)F)cc1F ZINC000277149383 522188287 /nfs/dbraw/zinc/18/82/87/522188287.db2.gz CZBBQOYFRWOFBQ-UHFFFAOYSA-N 0 0 274.286 2.553 20 10 CFCDRN CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC000108649058 522201136 /nfs/dbraw/zinc/20/11/36/522201136.db2.gz CVGRTYKFENERKR-UHFFFAOYSA-N 0 0 268.332 2.916 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507909 522212481 /nfs/dbraw/zinc/21/24/81/522212481.db2.gz MRPQGJUFPVUIHF-MRXNPFEDSA-N 0 0 284.359 2.668 20 10 CFCDRN CN(C)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000277873048 522239472 /nfs/dbraw/zinc/23/94/72/522239472.db2.gz PDJOYOPDYXXWKI-UHFFFAOYSA-N 0 0 296.370 2.721 20 10 CFCDRN COC(=O)c1cnc(SCC[C@H]2CCCO2)s1 ZINC000295412223 522342083 /nfs/dbraw/zinc/34/20/83/522342083.db2.gz XKLNXUCWWHCMSK-MRVPVSSYSA-N 0 0 273.379 2.591 20 10 CFCDRN COC(=O)c1cnc(Sc2ccnc(C3CC3)n2)s1 ZINC000295065361 522342225 /nfs/dbraw/zinc/34/22/25/522342225.db2.gz ZECFYSGLINMEGY-UHFFFAOYSA-N 0 0 293.373 2.748 20 10 CFCDRN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278887923 522359679 /nfs/dbraw/zinc/35/96/79/522359679.db2.gz PBSFXBSOJNIDMJ-ZJUUUORDSA-N 0 0 282.340 2.833 20 10 CFCDRN COC(C)(C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000074735782 522508681 /nfs/dbraw/zinc/50/86/81/522508681.db2.gz PTNLBGHSZLERJF-LBPRGKRZSA-N 0 0 294.395 2.737 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H]3CCC[C@@H]32)c1O ZINC000230929783 522536549 /nfs/dbraw/zinc/53/65/49/522536549.db2.gz AFQCENVBOJPSGX-STQMWFEESA-N 0 0 297.782 2.808 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000293947267 522548519 /nfs/dbraw/zinc/54/85/19/522548519.db2.gz OSTLVWPCCPYWGV-VIFPVBQESA-N 0 0 261.724 2.699 20 10 CFCDRN COc1cc(N(C)CC2CCOCC2)cc(OC)c1OC ZINC000172895692 522619397 /nfs/dbraw/zinc/61/93/97/522619397.db2.gz RGNWOHUGVNWRLM-UHFFFAOYSA-N 0 0 295.379 2.575 20 10 CFCDRN CC[C@H](N[C@@H](C)c1ncn(C)n1)c1ccc(C)cc1O ZINC000280158759 522703718 /nfs/dbraw/zinc/70/37/18/522703718.db2.gz QOBVCJWNTDGOQZ-AAEUAGOBSA-N 0 0 274.368 2.631 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000287338074 522726855 /nfs/dbraw/zinc/72/68/55/522726855.db2.gz GFHWXZKQYFQKSR-IACUBPJLSA-N 0 0 267.344 2.731 20 10 CFCDRN CCc1nnc(CNCc2cc(C)c(C)cc2O)s1 ZINC000289843178 522740826 /nfs/dbraw/zinc/74/08/26/522740826.db2.gz PAANGBHNYYFVSL-UHFFFAOYSA-N 0 0 277.393 2.713 20 10 CFCDRN CC[C@H](N[C@H](C)c1ncnn1C)c1ccc(N(C)C)cc1 ZINC000276642106 522743670 /nfs/dbraw/zinc/74/36/70/522743670.db2.gz OYMOERYTPWSPFF-DOMZBBRYSA-N 0 0 287.411 2.683 20 10 CFCDRN COCC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000160316870 522797586 /nfs/dbraw/zinc/79/75/86/522797586.db2.gz DRZMJRNAVNIKOH-UHFFFAOYSA-N 0 0 291.391 2.560 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000282812049 522905839 /nfs/dbraw/zinc/90/58/39/522905839.db2.gz RHXHQABAVGFLGO-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000285511878 522908581 /nfs/dbraw/zinc/90/85/81/522908581.db2.gz ARHAGPBVZYXVAN-GXFFZTMASA-N 0 0 255.333 2.997 20 10 CFCDRN CCc1occc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000280794318 523017448 /nfs/dbraw/zinc/01/74/48/523017448.db2.gz LIIKRZQMAZMULD-JTQLQIEISA-N 0 0 289.331 2.614 20 10 CFCDRN COCCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000224911431 523062991 /nfs/dbraw/zinc/06/29/91/523062991.db2.gz JKLVTUOXCUGAPA-UHFFFAOYSA-N 0 0 269.772 2.952 20 10 CFCDRN CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278849129 523166299 /nfs/dbraw/zinc/16/62/99/523166299.db2.gz KTWGAJJXGRYBKW-JTQLQIEISA-N 0 0 280.324 2.541 20 10 CFCDRN CC[C@H]1CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000292216984 523178365 /nfs/dbraw/zinc/17/83/65/523178365.db2.gz HUMXVHXWZIHAFW-PZBABLGHSA-N 0 0 290.319 2.770 20 10 CFCDRN COCc1nc(C)cc(NCc2ccc(N(C)C)cc2)n1 ZINC000266044308 523190032 /nfs/dbraw/zinc/19/00/32/523190032.db2.gz VKVJIGOKTXTEJS-UHFFFAOYSA-N 0 0 286.379 2.610 20 10 CFCDRN COCc1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000191579974 523258611 /nfs/dbraw/zinc/25/86/11/523258611.db2.gz NSLNPQOAMWXQAF-UHFFFAOYSA-N 0 0 291.351 2.640 20 10 CFCDRN C[N@@H+](Cc1cccc(F)c1[O-])C[C@H]1CCCCO1 ZINC000160205642 523313163 /nfs/dbraw/zinc/31/31/63/523313163.db2.gz IOXYAUCQDVUKFI-GFCCVEGCSA-N 0 0 253.317 2.532 20 10 CFCDRN CN(Cc1ccccc1O)c1noc(C(C)(C)C)n1 ZINC000302657974 523388789 /nfs/dbraw/zinc/38/87/89/523388789.db2.gz OKAGDOJYNQUNPK-UHFFFAOYSA-N 0 0 261.325 2.709 20 10 CFCDRN CC[C@](C)(CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224907631 523460361 /nfs/dbraw/zinc/46/03/61/523460361.db2.gz XMLSOVQEQRSOMJ-CYBMUJFWSA-N 0 0 257.761 2.686 20 10 CFCDRN CCn1ccnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000274858025 523538596 /nfs/dbraw/zinc/53/85/96/523538596.db2.gz ZCKBYGDKOKLCMJ-CYBMUJFWSA-N 0 0 272.396 2.820 20 10 CFCDRN CN(Cc1ncc(C2CC2)o1)c1ccc2c(c1)OCO2 ZINC000270484895 523578715 /nfs/dbraw/zinc/57/87/15/523578715.db2.gz FHUXHTVCSGGVTJ-UHFFFAOYSA-N 0 0 272.304 2.917 20 10 CFCDRN CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000291350258 523799219 /nfs/dbraw/zinc/79/92/19/523799219.db2.gz XIFZBUQDFGILMF-BONVTDFDSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188483093 523846017 /nfs/dbraw/zinc/84/60/17/523846017.db2.gz RWQGSKDDHOHJRZ-LBPRGKRZSA-N 0 0 276.380 2.914 20 10 CFCDRN CN1CCCc2cc(CNC(=O)Nc3ccncc3)ccc21 ZINC000058516764 523861143 /nfs/dbraw/zinc/86/11/43/523861143.db2.gz LDUVERZMHIPVBP-UHFFFAOYSA-N 0 0 296.374 2.786 20 10 CFCDRN COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000237122440 523928774 /nfs/dbraw/zinc/92/87/74/523928774.db2.gz MDEQTGYZIYSWAT-QGZVFWFLSA-N 0 0 297.354 2.625 20 10 CFCDRN CN(C)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164341937 523997932 /nfs/dbraw/zinc/99/79/32/523997932.db2.gz GIYBYVUATAPSHR-UHFFFAOYSA-N 0 0 258.412 2.621 20 10 CFCDRN COCCOCCN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000175660755 524001326 /nfs/dbraw/zinc/00/13/26/524001326.db2.gz LMQPZUOHTUEBHM-CQSZACIVSA-N 0 0 293.407 2.963 20 10 CFCDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC000075517009 524136754 /nfs/dbraw/zinc/13/67/54/524136754.db2.gz HDORBCKIQKBGQS-QMTHXVAHSA-N 0 0 269.348 2.627 20 10 CFCDRN C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC000181119126 524181399 /nfs/dbraw/zinc/18/13/99/524181399.db2.gz VLLFDGPLKKFIRG-OWVOXGNYSA-N 0 0 275.348 2.758 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000265504476 524216584 /nfs/dbraw/zinc/21/65/84/524216584.db2.gz QMPGKVZDXCUEAI-CQSZACIVSA-N 0 0 286.375 2.595 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CCO)cc1 ZINC000156394640 524216997 /nfs/dbraw/zinc/21/69/97/524216997.db2.gz SCUKUGIXEZKKAG-GFCCVEGCSA-N 0 0 286.375 2.595 20 10 CFCDRN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000040313883 524243888 /nfs/dbraw/zinc/24/38/88/524243888.db2.gz OTRKYNAXPHRETR-CQSZACIVSA-N 0 0 282.387 2.949 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CCCCO2)c(OC)c1 ZINC000193076947 524352913 /nfs/dbraw/zinc/35/29/13/524352913.db2.gz PUDYZVGHCMZLLA-INIZCTEOSA-N 0 0 295.379 2.683 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCCCO2)cc1F ZINC000121786722 524353235 /nfs/dbraw/zinc/35/32/35/524353235.db2.gz QDBDPKYRORFCBB-GFCCVEGCSA-N 0 0 253.317 2.840 20 10 CFCDRN COc1ccc(N2CCCN(c3cc(C)ncn3)CC2)cc1 ZINC000301257320 524404960 /nfs/dbraw/zinc/40/49/60/524404960.db2.gz RGEBVXKABWMHQE-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN COc1ccccc1N(CCO)Cc1cc(F)ccc1O ZINC000290273770 524531326 /nfs/dbraw/zinc/53/13/26/524531326.db2.gz YFIWJJIVDTZTAW-UHFFFAOYSA-N 0 0 291.322 2.539 20 10 CFCDRN C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192721274 524566593 /nfs/dbraw/zinc/56/65/93/524566593.db2.gz OTHFDRWYCVMLRJ-RQJHMYQMSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F ZINC000292791118 524737836 /nfs/dbraw/zinc/73/78/36/524737836.db2.gz UFZRJGRJBKLROH-RXNUUUNCSA-N 0 0 297.301 2.615 20 10 CFCDRN C[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289500645 524785720 /nfs/dbraw/zinc/78/57/20/524785720.db2.gz SVFYNHYJPNKKBV-ZETCQYMHSA-N 0 0 264.152 2.512 20 10 CFCDRN Cc1ccccc1C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000037767079 525195038 /nfs/dbraw/zinc/19/50/38/525195038.db2.gz JATSBOHTYGOUGI-AWEZNQCLSA-N 0 0 282.387 2.867 20 10 CFCDRN Cc1cc(O)c(CN2CCOC[C@@H]2CC(F)F)cc1C ZINC000284976993 525319655 /nfs/dbraw/zinc/31/96/55/525319655.db2.gz BNUPSHOMGNJGDP-ZDUSSCGKSA-N 0 0 285.334 2.865 20 10 CFCDRN C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185266938 525354228 /nfs/dbraw/zinc/35/42/28/525354228.db2.gz CKFLYKTVDSEPID-JTQLQIEISA-N 0 0 298.358 2.707 20 10 CFCDRN Cc1ccc(O)c(CNc2cccnc2-n2cccn2)c1 ZINC000071407786 525354960 /nfs/dbraw/zinc/35/49/60/525354960.db2.gz KWRZZNHDLQKCGJ-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN CSCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186404945 525405693 /nfs/dbraw/zinc/40/56/93/525405693.db2.gz NBHVGKOGNPQAGQ-LLVKDONJSA-N 0 0 297.420 2.678 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362424 525423507 /nfs/dbraw/zinc/42/35/07/525423507.db2.gz DDZKCNFXJHNLGG-KXUCPTDWSA-N 0 0 250.298 2.607 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276402804 525446431 /nfs/dbraw/zinc/44/64/31/525446431.db2.gz AJFBMKYROUPTEE-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CC1)c1ccc(F)cc1[O-] ZINC000230661273 525453468 /nfs/dbraw/zinc/45/34/68/525453468.db2.gz MENUIBLROCHPTQ-SNVBAGLBSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000164738541 525456746 /nfs/dbraw/zinc/45/67/46/525456746.db2.gz JLBWUHQYVQNZRE-ONGXEEELSA-N 0 0 255.745 2.560 20 10 CFCDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193162348 525468884 /nfs/dbraw/zinc/46/88/84/525468884.db2.gz MVRIXIFCHUFARA-BXUZGUMPSA-N 0 0 298.342 2.716 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192724308 525489788 /nfs/dbraw/zinc/48/97/88/525489788.db2.gz DZCQCLSQEWQJMD-JGVFFNPUSA-N 0 0 278.179 2.978 20 10 CFCDRN Cc1cccnc1CN1CCOc2cc(N(C)C)ccc21 ZINC000181133122 525512478 /nfs/dbraw/zinc/51/24/78/525512478.db2.gz KQWQJHYYIGSEJB-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000276933598 525525100 /nfs/dbraw/zinc/52/51/00/525525100.db2.gz ONORHLINLKEREC-LPEHRKFASA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ncc[nH]1 ZINC000138958016 525525828 /nfs/dbraw/zinc/52/58/28/525525828.db2.gz FTHRZNJQAWBEAC-CYBMUJFWSA-N 0 0 270.380 2.861 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1[O-] ZINC000191200911 525601843 /nfs/dbraw/zinc/60/18/43/525601843.db2.gz SERYWVZPVHGMQM-PTRXPTGYSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1cnn(C)c1 ZINC000276883675 525607539 /nfs/dbraw/zinc/60/75/39/525607539.db2.gz GLAHPHFDXODQHI-BDAKNGLRSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000277004675 525607793 /nfs/dbraw/zinc/60/77/93/525607793.db2.gz ZZPMHPJFSGNOSS-IUCAKERBSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCOC1 ZINC000168799493 525608444 /nfs/dbraw/zinc/60/84/44/525608444.db2.gz OECFDFXMDCVVAO-OUAUKWLOSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000278480175 525622238 /nfs/dbraw/zinc/62/22/38/525622238.db2.gz KMGMVVBRWNMOTF-PTRXPTGYSA-N 0 0 271.307 2.746 20 10 CFCDRN Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301287797 525701931 /nfs/dbraw/zinc/70/19/31/525701931.db2.gz RKXBNMUZRVRAOO-CQSZACIVSA-N 0 0 298.390 2.795 20 10 CFCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)o1 ZINC000290268058 525849320 /nfs/dbraw/zinc/84/93/20/525849320.db2.gz UACFVAAJWKFXNL-UHFFFAOYSA-N 0 0 298.346 2.726 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000161613900 525866577 /nfs/dbraw/zinc/86/65/77/525866577.db2.gz PTOQFICUHBOEGY-SNVBAGLBSA-N 0 0 284.400 2.650 20 10 CFCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000265398892 525909556 /nfs/dbraw/zinc/90/95/56/525909556.db2.gz VKZAJLSVBUBHFH-STQMWFEESA-N 0 0 294.420 2.866 20 10 CFCDRN Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])cc1 ZINC000276950938 525969033 /nfs/dbraw/zinc/96/90/33/525969033.db2.gz DUTNGBFHBCJZQA-KRWDZBQOSA-N 0 0 297.354 2.845 20 10 CFCDRN COc1cccc(CNc2ccc(C(F)(F)F)nn2)c1O ZINC000302003520 526041559 /nfs/dbraw/zinc/04/15/59/526041559.db2.gz RKQCEMUDLOKXQX-UHFFFAOYSA-N 0 0 299.252 2.822 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000289785225 526324015 /nfs/dbraw/zinc/32/40/15/526324015.db2.gz JTUJNGGKBPSARU-UHFFFAOYSA-N 0 0 286.162 2.754 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000289914928 526325524 /nfs/dbraw/zinc/32/55/24/526325524.db2.gz VFWYPZMPULUANB-CQSZACIVSA-N 0 0 291.778 2.739 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365156050 526346485 /nfs/dbraw/zinc/34/64/85/526346485.db2.gz LGKCVCZOBCAFID-SMDDNHRTSA-N 0 0 285.746 2.842 20 10 CFCDRN Cc1cscc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183480178 526461967 /nfs/dbraw/zinc/46/19/67/526461967.db2.gz SCNNWVKHFCAFLS-JTQLQIEISA-N 0 0 291.372 2.829 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CCCCCCC1 ZINC000276739995 526576798 /nfs/dbraw/zinc/57/67/98/526576798.db2.gz UXHXWXUDLXXHJH-UHFFFAOYSA-N 0 0 267.300 2.643 20 10 CFCDRN c1csc(Sc2ncnc3c2ncn3C2CC2)n1 ZINC000292738530 526584292 /nfs/dbraw/zinc/58/42/92/526584292.db2.gz MROWZYGAAUWCAZ-UHFFFAOYSA-N 0 0 275.362 2.769 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccn1 ZINC000075160016 526636978 /nfs/dbraw/zinc/63/69/78/526636978.db2.gz GEXKNDRNZZGQMT-UHFFFAOYSA-N 0 0 282.343 2.596 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCc2ccccc2C1 ZINC000299511930 526753369 /nfs/dbraw/zinc/75/33/69/526753369.db2.gz BRIOKNQZXGYVRD-MRXNPFEDSA-N 0 0 296.370 2.749 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CC=CCC1 ZINC000263773271 526754225 /nfs/dbraw/zinc/75/42/25/526754225.db2.gz UMXPVZBCOJYKLT-GFCCVEGCSA-N 0 0 260.337 2.548 20 10 CFCDRN Nc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 ZINC000237898937 527476311 /nfs/dbraw/zinc/47/63/11/527476311.db2.gz HGXUFSZLHWLJGG-UHFFFAOYSA-N 0 0 298.361 2.798 20 10 CFCDRN Nc1ccc(CC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000037030181 527477102 /nfs/dbraw/zinc/47/71/02/527477102.db2.gz KLVKJIYCYKIXMW-UHFFFAOYSA-N 0 0 284.403 2.752 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000237914430 527477885 /nfs/dbraw/zinc/47/78/85/527477885.db2.gz LXHFDUDNPWMOSX-GOSISDBHSA-N 0 0 294.398 2.949 20 10 CFCDRN Nc1ccc(CCNC(=O)CC2CCCCC2)cc1 ZINC000040675666 527479690 /nfs/dbraw/zinc/47/96/90/527479690.db2.gz OZNWQGCJAQGOQQ-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C1CC1 ZINC000361103480 527612180 /nfs/dbraw/zinc/61/21/80/527612180.db2.gz IACBOMHTTCDKOE-FLUIGGAXSA-N 0 0 273.332 2.512 20 10 CFCDRN O=C([O-])Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000276927540 527639304 /nfs/dbraw/zinc/63/93/04/527639304.db2.gz AWTFOCQXIKQDMO-UHFFFAOYSA-N 0 0 297.354 2.538 20 10 CFCDRN Cc1ncc(-c2ccc3ccc(=O)n(C)c3c2)s1 ZINC001243385246 782175069 /nfs/dbraw/zinc/17/50/69/782175069.db2.gz JQHUOICSDWBZKI-UHFFFAOYSA-N 0 0 256.330 2.970 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccoc1 ZINC000727434617 574050062 /nfs/dbraw/zinc/05/00/62/574050062.db2.gz MZEBWCORZABCKT-FLIBITNWSA-N 0 0 262.334 2.736 20 10 CFCDRN COc1cc(N(C)C[C@@H]2C[C@@H]2C)cc(OC)c1OC ZINC000754142433 574077000 /nfs/dbraw/zinc/07/70/00/574077000.db2.gz FXOMYLFGFVSUBK-QWRGUYRKSA-N 0 0 265.353 2.805 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1C[C@@H]1C ZINC000754120262 574090355 /nfs/dbraw/zinc/09/03/55/574090355.db2.gz BLCMBTZJMAFZRD-WDEREUQCSA-N 0 0 297.782 2.677 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1C[C@@H]1C ZINC000754120261 574090560 /nfs/dbraw/zinc/09/05/60/574090560.db2.gz BLCMBTZJMAFZRD-QWRGUYRKSA-N 0 0 297.782 2.677 20 10 CFCDRN COc1ccc(N(CCCS(C)(=O)=O)CC(C)C)cc1 ZINC000728569848 574100083 /nfs/dbraw/zinc/10/00/83/574100083.db2.gz RBKADBNMEHQMST-UHFFFAOYSA-N 0 0 299.436 2.592 20 10 CFCDRN CNC(=S)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000730953344 574104521 /nfs/dbraw/zinc/10/45/21/574104521.db2.gz VPSXYGIFBRDWLU-UHFFFAOYSA-N 0 0 277.437 2.517 20 10 CFCDRN CC(=O)c1ccnc(NCc2ccc(N(C)C)cc2)c1 ZINC000754617983 574109196 /nfs/dbraw/zinc/10/91/96/574109196.db2.gz WMNQMTDJPFOJMB-UHFFFAOYSA-N 0 0 269.348 2.962 20 10 CFCDRN O=C1/C(=C/c2cn[nH]c2)SC(=S)N1c1ccccc1 ZINC000751527635 574112441 /nfs/dbraw/zinc/11/24/41/574112441.db2.gz XEZQHIXOCCNLNV-WDZFZDKYSA-N 0 0 287.369 2.816 20 10 CFCDRN CCN(CC)c1ccc(CNC(=S)NC2CC2)cc1F ZINC000731317361 574116346 /nfs/dbraw/zinc/11/63/46/574116346.db2.gz DSWVQCZCTWFGFO-UHFFFAOYSA-N 0 0 295.427 2.798 20 10 CFCDRN C[C@H](C(=O)NCc1ccccc1O)c1ccccc1F ZINC000731366375 574118369 /nfs/dbraw/zinc/11/83/69/574118369.db2.gz MVAZTDVNQRHNMN-NSHDSACASA-N 0 0 273.307 2.951 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C)cc1F ZINC000731405235 574119919 /nfs/dbraw/zinc/11/99/19/574119919.db2.gz YOIZCJOMPURXOC-LBPRGKRZSA-N 0 0 293.386 2.976 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756733414 574128845 /nfs/dbraw/zinc/12/88/45/574128845.db2.gz QZLRGSMJIOKYSK-CBAPKCEASA-N 0 0 259.321 2.827 20 10 CFCDRN O=C(NCCOc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000731863767 574130632 /nfs/dbraw/zinc/13/06/32/574130632.db2.gz CMMWSIQGSJREMU-UHFFFAOYSA-N 0 0 297.763 2.916 20 10 CFCDRN Cc1ccc(CN(C)C(=O)C2=CC(=O)CS2)o1 ZINC000731863777 574130731 /nfs/dbraw/zinc/13/07/31/574130731.db2.gz DHWZIYHXWOQMHM-UHFFFAOYSA-N 0 0 251.307 2.627 20 10 CFCDRN O=C(OCc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731912273 574133543 /nfs/dbraw/zinc/13/35/43/574133543.db2.gz SWEKDFLIIKGMCB-UHFFFAOYSA-N 0 0 252.266 2.950 20 10 CFCDRN Cc1cccc(OCCOC(=O)C2=CC(=O)CS2)c1 ZINC000731912255 574133850 /nfs/dbraw/zinc/13/38/50/574133850.db2.gz SFXFDTMXFBSEIV-UHFFFAOYSA-N 0 0 278.329 2.998 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CCC2)c1 ZINC000728947896 574141348 /nfs/dbraw/zinc/14/13/48/574141348.db2.gz FPOIERHKGBGOEI-JTQLQIEISA-N 0 0 278.352 2.561 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737493504 574144817 /nfs/dbraw/zinc/14/48/17/574144817.db2.gz BTHDLUMTKOIKJV-HNNXBMFYSA-N 0 0 271.316 2.650 20 10 CFCDRN Clc1cc(-c2nn[nH]n2)cnc1Sc1nccs1 ZINC000737558565 574147204 /nfs/dbraw/zinc/14/72/04/574147204.db2.gz NOBNPAUQWXFWIP-UHFFFAOYSA-N 0 0 296.768 2.523 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1ccncc1 ZINC000732265675 574147860 /nfs/dbraw/zinc/14/78/60/574147860.db2.gz FPQYVEWTEMADEG-GFCCVEGCSA-N 0 0 274.345 2.826 20 10 CFCDRN COc1ccc(C)cc1CNC(=O)C1=CC(=O)CS1 ZINC000732267984 574148096 /nfs/dbraw/zinc/14/80/96/574148096.db2.gz ASOXZTLPVCLKMU-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN O=C(Nc1ccc(-n2cccn2)cc1)C1=CC(=O)CS1 ZINC000732271695 574148477 /nfs/dbraw/zinc/14/84/77/574148477.db2.gz PBIBCVDYWDMYHX-UHFFFAOYSA-N 0 0 285.328 2.892 20 10 CFCDRN CC(C)COC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732275474 574149468 /nfs/dbraw/zinc/14/94/68/574149468.db2.gz XTPPVHGONHYEBE-UHFFFAOYSA-N 0 0 283.393 2.731 20 10 CFCDRN Cc1csc([C@H](C)NC(=O)C2=CC(=O)CS2)n1 ZINC000732284089 574149842 /nfs/dbraw/zinc/14/98/42/574149842.db2.gz JPRUUGQXGDCPHD-ZETCQYMHSA-N 0 0 268.363 2.710 20 10 CFCDRN O=C(NCCOc1ccc(F)c(F)c1)C1=CC(=O)CS1 ZINC000732289868 574150578 /nfs/dbraw/zinc/15/05/78/574150578.db2.gz YIJFDRSLPNTGDG-UHFFFAOYSA-N 0 0 299.298 2.541 20 10 CFCDRN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1=CC(=O)CS1 ZINC000755297404 574153054 /nfs/dbraw/zinc/15/30/54/574153054.db2.gz SJEVQKPOGJBFIP-RAIGVLPGSA-N 0 0 293.388 2.531 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C\c1cnn(C)c1)CC2 ZINC000746790403 574166393 /nfs/dbraw/zinc/16/63/93/574166393.db2.gz OHNORCWXTXYBIE-FPLPWBNLSA-N 0 0 281.359 2.585 20 10 CFCDRN CC(C)=CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746809408 574166800 /nfs/dbraw/zinc/16/68/00/574166800.db2.gz YHVVQYBILPWRCU-UHFFFAOYSA-N 0 0 258.365 2.651 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3C4CCC3CC4)ccc21 ZINC000746981155 574174057 /nfs/dbraw/zinc/17/40/57/574174057.db2.gz MEXOBQRFMNVKFO-UHFFFAOYSA-N 0 0 299.418 2.905 20 10 CFCDRN CC1(C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000747587356 574202475 /nfs/dbraw/zinc/20/24/75/574202475.db2.gz UYASOWCWRWWJKD-UHFFFAOYSA-N 0 0 285.391 2.757 20 10 CFCDRN CCOc1ccc(N(C)C[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739503912 574215930 /nfs/dbraw/zinc/21/59/30/574215930.db2.gz CGILJCNJDBLXPW-GFCCVEGCSA-N 0 0 278.352 2.521 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccccc1O ZINC000733360291 574224400 /nfs/dbraw/zinc/22/44/00/574224400.db2.gz GYZLPSIMDJSXST-SWLSCSKDSA-N 0 0 277.364 2.604 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnn3ccccc23)SC1=S ZINC000729641232 574225731 /nfs/dbraw/zinc/22/57/31/574225731.db2.gz FMHBFNVKBLIZRT-YRNVUSSQSA-N 0 0 289.385 2.555 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356655 574228782 /nfs/dbraw/zinc/22/87/82/574228782.db2.gz HONOQDPHXWBNAW-PWSUYJOCSA-N 0 0 284.350 2.805 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000748099320 574229150 /nfs/dbraw/zinc/22/91/50/574229150.db2.gz SEDMMSBKYCRORA-UHFFFAOYSA-N 0 0 295.180 2.783 20 10 CFCDRN O=C([O-])[C@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756385153 574231692 /nfs/dbraw/zinc/23/16/92/574231692.db2.gz CSSIPAUHKTWAFE-HNNXBMFYSA-N 0 0 289.375 2.745 20 10 CFCDRN CC(C)(C)CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756387386 574232328 /nfs/dbraw/zinc/23/23/28/574232328.db2.gz XDXWSOWLAKOJMS-CQSZACIVSA-N 0 0 291.391 2.991 20 10 CFCDRN Oc1ccccc1CNC(=S)NCCc1ccccc1 ZINC000748157215 574233352 /nfs/dbraw/zinc/23/33/52/574233352.db2.gz KAUMSBBIIRTAAW-UHFFFAOYSA-N 0 0 286.400 2.599 20 10 CFCDRN Cc1nccn1CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756432596 574236674 /nfs/dbraw/zinc/23/66/74/574236674.db2.gz JRYZWOSUYNKVLA-LLVKDONJSA-N 0 0 277.343 2.777 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000756483887 574240489 /nfs/dbraw/zinc/24/04/89/574240489.db2.gz YYJOXTGLJZEAQV-ZJUUUORDSA-N 0 0 264.325 2.997 20 10 CFCDRN C[N@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000739631849 574241267 /nfs/dbraw/zinc/24/12/67/574241267.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N 0 0 285.299 2.808 20 10 CFCDRN Cc1nc(NC(=O)NCc2ccccc2O)sc1C ZINC000748324907 574247246 /nfs/dbraw/zinc/24/72/46/574247246.db2.gz JPMFCNZWMQMYJK-UHFFFAOYSA-N 0 0 277.349 2.787 20 10 CFCDRN Cc1ccccc1CCNC(=O)NCc1ccccc1O ZINC000748324407 574247301 /nfs/dbraw/zinc/24/73/01/574247301.db2.gz CQIKYHUAYOPUNJ-UHFFFAOYSA-N 0 0 284.359 2.743 20 10 CFCDRN O=C(NCc1ccccc1O)NCc1ccccc1F ZINC000748324722 574247364 /nfs/dbraw/zinc/24/73/64/574247364.db2.gz HGKNLVBJKBDFAB-UHFFFAOYSA-N 0 0 274.295 2.531 20 10 CFCDRN CCO[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000748345962 574247703 /nfs/dbraw/zinc/24/77/03/574247703.db2.gz HXRCWLKGTBIGEW-MRXNPFEDSA-N 0 0 285.343 2.786 20 10 CFCDRN O=C(CCCOc1ccccc1)NCc1ccccc1O ZINC000748354341 574248958 /nfs/dbraw/zinc/24/89/58/574248958.db2.gz KLNAPPQSSFFCEC-UHFFFAOYSA-N 0 0 285.343 2.868 20 10 CFCDRN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000748353498 574249050 /nfs/dbraw/zinc/24/90/50/574249050.db2.gz ANDDRSUYBQVBAI-CYBMUJFWSA-N 0 0 285.343 2.784 20 10 CFCDRN C[C@H]([NH2+]CC1(O)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756575392 574249275 /nfs/dbraw/zinc/24/92/75/574249275.db2.gz PZPPHFIYEXCCRQ-VIFPVBQESA-N 0 0 271.307 2.626 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574649 574249516 /nfs/dbraw/zinc/24/95/16/574249516.db2.gz FGUHYBHBHBWIDE-RWSFTLGLSA-N 0 0 296.367 2.748 20 10 CFCDRN CCn1ccnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000730081464 574251640 /nfs/dbraw/zinc/25/16/40/574251640.db2.gz UTGKJKGGSUGUJF-UHFFFAOYSA-N 0 0 272.396 2.601 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756611912 574251993 /nfs/dbraw/zinc/25/19/93/574251993.db2.gz KFQWBZZOSWJGJB-JFGNBEQYSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000756628038 574253302 /nfs/dbraw/zinc/25/33/02/574253302.db2.gz KHEXOHGQFIVLSL-VXGBXAGGSA-N 0 0 266.360 2.524 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756627408 574253367 /nfs/dbraw/zinc/25/33/67/574253367.db2.gz IEVVIVPRIWOXNA-MNOVXSKESA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756644462 574254485 /nfs/dbraw/zinc/25/44/85/574254485.db2.gz AOPQCMBPLHFANL-UTUOFQBUSA-N 0 0 294.351 2.502 20 10 CFCDRN O=C(Nc1ccc(Cl)nc1)C1=CC(=O)CS1 ZINC000733805569 574256798 /nfs/dbraw/zinc/25/67/98/574256798.db2.gz WFZLUTOEUSODLK-UHFFFAOYSA-N 0 0 254.698 2.754 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cnccn1 ZINC000748578338 574258596 /nfs/dbraw/zinc/25/85/96/574258596.db2.gz PJWIIAGEKGELRE-DIECRNLCSA-N 0 0 295.342 2.612 20 10 CFCDRN COC1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000733881689 574260140 /nfs/dbraw/zinc/26/01/40/574260140.db2.gz VGJPHAFPWATTGH-UHFFFAOYSA-N 0 0 298.386 2.873 20 10 CFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1ccc2ccccc2n1 ZINC000740670842 574261221 /nfs/dbraw/zinc/26/12/21/574261221.db2.gz OFLQKJYHDBBEOJ-JXMROGBWSA-N 0 0 292.342 2.645 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(F)cc(F)c1[O-] ZINC000756761023 574261178 /nfs/dbraw/zinc/26/11/78/574261178.db2.gz QTRKFUNUSUGSMC-GZMMTYOYSA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(F)cc1[O-] ZINC000756758997 574261364 /nfs/dbraw/zinc/26/13/64/574261364.db2.gz GZOYJDYPFJYFKN-JTQLQIEISA-N 0 0 294.301 2.795 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756784964 574262774 /nfs/dbraw/zinc/26/27/74/574262774.db2.gz RDEOFAAYMQDVCW-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756786406 574262919 /nfs/dbraw/zinc/26/29/19/574262919.db2.gz LCICPSBTVAMTPJ-UEKVPHQBSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C\c1cnn(C)c1 ZINC000733944622 574264508 /nfs/dbraw/zinc/26/45/08/574264508.db2.gz LFTCVYFRGQOZAJ-HJWRWDBZSA-N 0 0 281.359 2.721 20 10 CFCDRN 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CN1CCCc2cc(CNC(=O)CCc3ccoc3)ccc21 ZINC000177197396 618371307 /nfs/dbraw/zinc/37/13/07/618371307.db2.gz UCOAIWUISPLHHY-UHFFFAOYSA-N 0 0 298.386 2.911 20 10 CFCDRN Cc1noc(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000192751667 618436976 /nfs/dbraw/zinc/43/69/76/618436976.db2.gz WPKGMJRMWVJNGC-WQLSENKSSA-N 0 0 291.376 2.748 20 10 CFCDRN CC[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000177549932 618446439 /nfs/dbraw/zinc/44/64/39/618446439.db2.gz WUEQDOQZHDCRGJ-SECBINFHSA-N 0 0 273.427 2.723 20 10 CFCDRN COc1c(C)ccc(NC(=O)c2cccc(O)c2O)c1C ZINC000192981952 618446819 /nfs/dbraw/zinc/44/68/19/618446819.db2.gz OXCINKHSNIXUHW-UHFFFAOYSA-N 0 0 287.315 2.976 20 10 CFCDRN CCOc1ccc(N(CC)CCn2ccccc2=O)cc1 ZINC000726186330 618451618 /nfs/dbraw/zinc/45/16/18/618451618.db2.gz UDQRZVISGUNEML-UHFFFAOYSA-N 0 0 286.375 2.774 20 10 CFCDRN CN(Cc1cc(Cl)ccc1O)[C@H]1CC(C)(C)OC1=O ZINC000814181201 618459153 /nfs/dbraw/zinc/45/91/53/618459153.db2.gz XKUICLXXPOYVRL-NSHDSACASA-N 0 0 283.755 2.572 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)C(=O)OC(C)C ZINC000840916925 618474006 /nfs/dbraw/zinc/47/40/06/618474006.db2.gz NYWZEFXLGFKAOI-CQSZACIVSA-N 0 0 292.423 2.833 20 10 CFCDRN Cc1ccc(CN2c3ccccc3C[C@@H]2CO)c(O)c1 ZINC000895241123 618493144 /nfs/dbraw/zinc/49/31/44/618493144.db2.gz CKDAFKPAMBSBNC-OAHLLOKOSA-N 0 0 269.344 2.624 20 10 CFCDRN OC[C@@H]1Cc2ccccc2N1Cc1cc(F)cc(F)c1O ZINC000895241534 618493989 /nfs/dbraw/zinc/49/39/89/618493989.db2.gz MFXZSPQZKIYASN-ZDUSSCGKSA-N 0 0 291.297 2.594 20 10 CFCDRN CCOc1cccc(CN2c3ccccc3C[C@@H]2CO)c1O ZINC000895244826 618495142 /nfs/dbraw/zinc/49/51/42/618495142.db2.gz QRLSEYFJBCJVNW-OAHLLOKOSA-N 0 0 299.370 2.715 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CSC1 ZINC000895422011 618582842 /nfs/dbraw/zinc/58/28/42/618582842.db2.gz RDADQEWCISECTG-UHFFFAOYSA-N 0 0 261.749 2.637 20 10 CFCDRN CC(C)(O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895460701 618597455 /nfs/dbraw/zinc/59/74/55/618597455.db2.gz SEHMCUDNWYUABN-UHFFFAOYSA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1nc(NCCCSc2nccs2)cc(=O)[nH]1 ZINC000892515331 618604663 /nfs/dbraw/zinc/60/46/63/618604663.db2.gz MXCYXFWJYWPGGY-UHFFFAOYSA-N 0 0 282.394 2.541 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H](c1ccncc1)C1CC1 ZINC000892527401 618609515 /nfs/dbraw/zinc/60/95/15/618609515.db2.gz PIRTVKZYJUXFEC-INIZCTEOSA-N 0 0 297.358 2.738 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H](c1ccncc1)C1CC1 ZINC000892527402 618609568 /nfs/dbraw/zinc/60/95/68/618609568.db2.gz PIRTVKZYJUXFEC-MRXNPFEDSA-N 0 0 297.358 2.738 20 10 CFCDRN CCC(C)(C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178191395 618635042 /nfs/dbraw/zinc/63/50/42/618635042.db2.gz XBYFCJITZCZSOV-UHFFFAOYSA-N 0 0 290.407 2.970 20 10 CFCDRN CNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000007404403 618638098 /nfs/dbraw/zinc/63/80/98/618638098.db2.gz OZCGPMUTQBRDCS-UHFFFAOYSA-N 0 0 277.437 2.613 20 10 CFCDRN COc1ccc(CNc2ncccc2C)c(O)c1OC ZINC000892612706 618654866 /nfs/dbraw/zinc/65/48/66/618654866.db2.gz MGBKGWOYYIIQNZ-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CNc2ccccc2)cc1 ZINC000314049040 618774160 /nfs/dbraw/zinc/77/41/60/618774160.db2.gz OKWHYVHQCRJDTC-UHFFFAOYSA-N 0 0 297.402 2.823 20 10 CFCDRN C[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718402 618866958 /nfs/dbraw/zinc/86/69/58/618866958.db2.gz WNEIIEJINGZADA-FUEXJSSKSA-N 0 0 298.342 2.726 20 10 CFCDRN COCCOc1ccc(C#N)cc1NCc1ccccc1O ZINC000184320301 618914192 /nfs/dbraw/zinc/91/41/92/618914192.db2.gz BMJCGFKLSCMCQK-UHFFFAOYSA-N 0 0 298.342 2.901 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000185523257 618927244 /nfs/dbraw/zinc/92/72/44/618927244.db2.gz ZIJGYRYOIKOCIW-QWHCGFSZSA-N 0 0 297.370 2.625 20 10 CFCDRN Cc1ccc(O)c(CNc2ncn(-c3ccccc3)n2)c1 ZINC000195046332 618945295 /nfs/dbraw/zinc/94/52/95/618945295.db2.gz GDLHRTCVEWBAJT-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN COc1ccc(N(C)Cc2c3c(nn2C)CCC3)cc1F ZINC000893462769 619006654 /nfs/dbraw/zinc/00/66/54/619006654.db2.gz COYIZORADRUHNK-UHFFFAOYSA-N 0 0 289.354 2.693 20 10 CFCDRN CO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000055054014 619057612 /nfs/dbraw/zinc/05/76/12/619057612.db2.gz MNXXBCKYYYKNMV-CQSZACIVSA-N 0 0 290.407 2.670 20 10 CFCDRN CO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000055054008 619057864 /nfs/dbraw/zinc/05/78/64/619057864.db2.gz MNXXBCKYYYKNMV-AWEZNQCLSA-N 0 0 290.407 2.670 20 10 CFCDRN CC(C)CCO[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000070822447 619122728 /nfs/dbraw/zinc/12/27/28/619122728.db2.gz FDSIEGXMWSLJJU-CYBMUJFWSA-N 0 0 279.380 2.802 20 10 CFCDRN COCC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000840955867 619138437 /nfs/dbraw/zinc/13/84/37/619138437.db2.gz YXLVYYXHJOMOMO-SNVBAGLBSA-N 0 0 257.761 2.808 20 10 CFCDRN O=C(NC/C=C\Cl)NCCCSc1nccs1 ZINC000893646813 619142663 /nfs/dbraw/zinc/14/26/63/619142663.db2.gz WFABDEQLRWUUCK-IWQZZHSRSA-N 0 0 291.829 2.677 20 10 CFCDRN Oc1ccccc1CNc1c(F)c(F)nc(F)c1F ZINC000229051897 619161859 /nfs/dbraw/zinc/16/18/59/619161859.db2.gz RJSQQVZXRVYCEF-UHFFFAOYSA-N 0 0 272.201 2.956 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CNOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925870633 619192452 /nfs/dbraw/zinc/19/24/52/619192452.db2.gz ZEJAOCYEYUBEKN-OIBJUYFYSA-N 0 0 291.178 2.643 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1[nH]nc(C)c1C ZINC000893864404 619230665 /nfs/dbraw/zinc/23/06/65/619230665.db2.gz ALURUJOIKXGVCN-UHFFFAOYSA-N 0 0 257.337 2.598 20 10 CFCDRN COc1ccc(N2CCC(NC(=O)CC(C)C)CC2)cc1 ZINC000726562659 619252110 /nfs/dbraw/zinc/25/21/10/619252110.db2.gz SBYRRHRHOHDHDL-UHFFFAOYSA-N 0 0 290.407 2.826 20 10 CFCDRN Cc1cc2c[nH]nc2c(C(=O)NCc2ccccc2O)c1 ZINC000726622365 619254062 /nfs/dbraw/zinc/25/40/62/619254062.db2.gz JAFMVMQNXJTLQD-UHFFFAOYSA-N 0 0 281.315 2.507 20 10 CFCDRN Cc1cc2cn[nH]c2c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000726622280 619254247 /nfs/dbraw/zinc/25/42/47/619254247.db2.gz UVZXWWJSZRZSCX-UHFFFAOYSA-N 0 0 295.342 2.849 20 10 CFCDRN C[C@H](NC(=O)CCCF)c1ccc(N(C)C)cc1 ZINC000832431341 625331800 /nfs/dbraw/zinc/33/18/00/625331800.db2.gz NRYSPQFUZVCKFT-NSHDSACASA-N 0 0 252.333 2.680 20 10 CFCDRN CCc1nocc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832436915 625335880 /nfs/dbraw/zinc/33/58/80/625335880.db2.gz SWLHDYIDEJBMBG-NSHDSACASA-N 0 0 287.363 2.794 20 10 CFCDRN COCC1(C)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894425504 619381278 /nfs/dbraw/zinc/38/12/78/619381278.db2.gz WRIUYMRNFKIACY-UHFFFAOYSA-N 0 0 285.334 2.919 20 10 CFCDRN CC[C@]1(C)COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894483306 619395396 /nfs/dbraw/zinc/39/53/96/619395396.db2.gz HUTUWESOWBJFHU-MRXNPFEDSA-N 0 0 279.380 2.710 20 10 CFCDRN CCOCc1nc(C)cc(NCc2cc(C)ccc2O)n1 ZINC000894725692 619454446 /nfs/dbraw/zinc/45/44/46/619454446.db2.gz LCCCPNSSYDVSEO-UHFFFAOYSA-N 0 0 287.363 2.948 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000894777797 619463800 /nfs/dbraw/zinc/46/38/00/619463800.db2.gz MDNFIXRMGQVWNP-HNNXBMFYSA-N 0 0 293.313 2.884 20 10 CFCDRN CC[C@@H](C)CONC(=O)NCc1cccc(Cl)c1O ZINC000895013617 619526537 /nfs/dbraw/zinc/52/65/37/619526537.db2.gz VRBIBFIACVQTCX-SECBINFHSA-N 0 0 286.759 2.823 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000841299649 619541507 /nfs/dbraw/zinc/54/15/07/619541507.db2.gz HIYVFODYXKIQTE-LLVKDONJSA-N 0 0 271.320 2.883 20 10 CFCDRN CCCCCOC1CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300080 619549221 /nfs/dbraw/zinc/54/92/21/619549221.db2.gz MILIHKXCPVAZMS-UHFFFAOYSA-N 0 0 277.368 2.692 20 10 CFCDRN C=C/C=C\CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000895540288 619550391 /nfs/dbraw/zinc/55/03/91/619550391.db2.gz BDLBDRSLMORMCY-PLNGDYQASA-N 0 0 278.308 2.531 20 10 CFCDRN Oc1cccc2c1CN(Cc1nnc(C3CC3)s1)C2 ZINC000895784962 619606335 /nfs/dbraw/zinc/60/63/35/619606335.db2.gz NECWCBLKINITQG-UHFFFAOYSA-N 0 0 273.361 2.637 20 10 CFCDRN COC(=O)c1sccc1CN1Cc2cccc(O)c2C1 ZINC000895785781 619606667 /nfs/dbraw/zinc/60/66/67/619606667.db2.gz SXORMKMKSKOZGY-UHFFFAOYSA-N 0 0 289.356 2.756 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843828 619617343 /nfs/dbraw/zinc/61/73/43/619617343.db2.gz DAJOLPFMSVXNRW-BBRMVZONSA-N 0 0 261.365 2.702 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895843829 619617556 /nfs/dbraw/zinc/61/75/56/619617556.db2.gz DAJOLPFMSVXNRW-CJNGLKHVSA-N 0 0 261.365 2.702 20 10 CFCDRN O=C(NCC1=CCCC1)NCc1cccc(Cl)c1O ZINC000895845219 619618356 /nfs/dbraw/zinc/61/83/56/619618356.db2.gz MFJQZMZJNLUYOW-UHFFFAOYSA-N 0 0 280.755 2.955 20 10 CFCDRN CC(C)c1nnc(NCc2c(O)cccc2F)o1 ZINC000895832369 619619271 /nfs/dbraw/zinc/61/92/71/619619271.db2.gz FTZSTPHCYBXTSQ-UHFFFAOYSA-N 0 0 251.261 2.650 20 10 CFCDRN CCOC(=O)[C@](C)(NCc1ccccc1O)c1ccccc1 ZINC000895894753 619629383 /nfs/dbraw/zinc/62/93/83/619629383.db2.gz QXPKLDXUAABSAK-GOSISDBHSA-N 0 0 299.370 2.960 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896049278 619660527 /nfs/dbraw/zinc/66/05/27/619660527.db2.gz SKGLNGPMMXLTRN-MRVPVSSYSA-N 0 0 277.345 2.795 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)CO1 ZINC000896056366 619662844 /nfs/dbraw/zinc/66/28/44/619662844.db2.gz DITHCBPTSADGOI-SWLSCSKDSA-N 0 0 277.364 2.556 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C3CC3)CC2)c1 ZINC000896162748 619684351 /nfs/dbraw/zinc/68/43/51/619684351.db2.gz GXQHLEISTQGCGY-SNVBAGLBSA-N 0 0 275.348 2.768 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)c1cccc(F)c1 ZINC000896563764 619763306 /nfs/dbraw/zinc/76/33/06/619763306.db2.gz MSPOFKFXXJZCBY-INIZCTEOSA-N 0 0 293.313 2.668 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](c2ncccn2)C2CC2)ccc(F)c1F ZINC000896596060 619771136 /nfs/dbraw/zinc/77/11/36/619771136.db2.gz BUSNCNGSVVRKTM-ZDUSSCGKSA-N 0 0 291.301 2.701 20 10 CFCDRN Oc1cccc(F)c1CNCc1nnc(C2CC2)s1 ZINC000896642932 619777881 /nfs/dbraw/zinc/77/78/81/619777881.db2.gz SKUYVVQJNHPXCY-UHFFFAOYSA-N 0 0 279.340 2.550 20 10 CFCDRN Cc1ncsc1C[NH2+]Cc1c([O-])cccc1F ZINC000896641078 619781326 /nfs/dbraw/zinc/78/13/26/619781326.db2.gz OREUBAQHGFMGFN-UHFFFAOYSA-N 0 0 252.314 2.586 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000896640816 619781529 /nfs/dbraw/zinc/78/15/29/619781529.db2.gz KAQIRNOATWJQND-UVBJJODRSA-N 0 0 291.366 2.969 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1CCOC2 ZINC000896641882 619781993 /nfs/dbraw/zinc/78/19/93/619781993.db2.gz OLSATZFYUUUHAA-UHFFFAOYSA-N 0 0 287.334 2.894 20 10 CFCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000896641194 619782141 /nfs/dbraw/zinc/78/21/41/619782141.db2.gz LZQXFFXVNMWNLW-IINYFYTJSA-N 0 0 253.317 2.579 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)ccc(F)c1F ZINC000897082929 619926380 /nfs/dbraw/zinc/92/63/80/619926380.db2.gz YIDOTTQSFLKJQS-DOMZBBRYSA-N 0 0 297.345 2.965 20 10 CFCDRN CS[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897168449 619943438 /nfs/dbraw/zinc/94/34/38/619943438.db2.gz MIBQDZIAFJYVJF-ZETCQYMHSA-N 0 0 297.401 2.794 20 10 CFCDRN COC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000897221740 619953326 /nfs/dbraw/zinc/95/33/26/619953326.db2.gz ONXFJSUTIFQVNJ-LLVKDONJSA-N 0 0 273.323 2.679 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(O)c2)c1 ZINC000182836841 625385800 /nfs/dbraw/zinc/38/58/00/625385800.db2.gz WMMGMFXSEHQNRO-JTQLQIEISA-N 0 0 287.315 2.597 20 10 CFCDRN C[C@@H]1CCC[C@@H](OCC(=O)NCc2c(O)cccc2F)C1 ZINC000928706733 619995990 /nfs/dbraw/zinc/99/59/90/619995990.db2.gz YPPNYIJBPSXOLG-VXGBXAGGSA-N 0 0 295.354 2.743 20 10 CFCDRN CC1CCC(OCC(=O)NCc2c(O)cccc2F)CC1 ZINC000928709206 619996169 /nfs/dbraw/zinc/99/61/69/619996169.db2.gz YMSRXHMKLCDYCY-UHFFFAOYSA-N 0 0 295.354 2.743 20 10 CFCDRN CS[C@H](C)CCC(=O)NCc1c(O)cccc1F ZINC000928708521 619996256 /nfs/dbraw/zinc/99/62/56/619996256.db2.gz NLGUVCYFBFOFPK-SECBINFHSA-N 0 0 271.357 2.679 20 10 CFCDRN CCn1ccc(C(=O)NCc2c(O)cccc2F)c1C ZINC000928708275 619996314 /nfs/dbraw/zinc/99/63/14/619996314.db2.gz FDKCZEMSHCYNAX-UHFFFAOYSA-N 0 0 276.311 2.591 20 10 CFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928712231 619996783 /nfs/dbraw/zinc/99/67/83/619996783.db2.gz PBAWDJVTEASEIZ-VIFPVBQESA-N 0 0 251.301 2.584 20 10 CFCDRN CCC[C@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928712632 619997184 /nfs/dbraw/zinc/99/71/84/619997184.db2.gz UXRYGRYJCCDWHN-JTQLQIEISA-N 0 0 253.317 2.974 20 10 CFCDRN COc1ccc(CNC(=O)Nc2ccsc2)c(O)c1 ZINC000797633545 620012184 /nfs/dbraw/zinc/01/21/84/620012184.db2.gz AECNMYSGYCLOEJ-UHFFFAOYSA-N 0 0 278.333 2.784 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H](C)CC(F)(F)F)c(O)c1O ZINC000840517090 620040503 /nfs/dbraw/zinc/04/05/03/620040503.db2.gz KRDBCDVQQAWLJW-SSDOTTSWSA-N 0 0 291.269 2.725 20 10 CFCDRN C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000841956594 620102124 /nfs/dbraw/zinc/10/21/24/620102124.db2.gz CUYWBLIZAPVWAB-ZDUSSCGKSA-N 0 0 289.423 2.889 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)cc1[O-] ZINC000841744126 620183281 /nfs/dbraw/zinc/18/32/81/620183281.db2.gz FHQFTEJGFQSASS-ZYHUDNBSSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000237383925 620215033 /nfs/dbraw/zinc/21/50/33/620215033.db2.gz GFRZLLBYKGCAAG-MWLCHTKSSA-N 0 0 250.298 2.579 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(F)cc1[O-] ZINC000841765155 620264386 /nfs/dbraw/zinc/26/43/86/620264386.db2.gz NHYOVDHLWZCXSD-ONGXEEELSA-N 0 0 288.313 2.521 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(F)cc1[O-] ZINC000841765153 620264527 /nfs/dbraw/zinc/26/45/27/620264527.db2.gz NHYOVDHLWZCXSD-KOLCDFICSA-N 0 0 288.313 2.521 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cncs1 ZINC000897929850 620305441 /nfs/dbraw/zinc/30/54/41/620305441.db2.gz BZHPRMQDHDNPEO-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206478 620344954 /nfs/dbraw/zinc/34/49/54/620344954.db2.gz PIUDRSNBCGMIFB-GFCCVEGCSA-N 0 0 290.190 2.950 20 10 CFCDRN CC(C)n1cc(C[NH2+]Cc2cccc(Cl)c2[O-])nn1 ZINC000898218551 620347118 /nfs/dbraw/zinc/34/71/18/620347118.db2.gz JTUMIAVEDJOIOF-UHFFFAOYSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cncs1 ZINC000898180419 620347982 /nfs/dbraw/zinc/34/79/82/620347982.db2.gz ZGYYDURGZGMTIW-UWVGGRQHSA-N 0 0 291.376 2.970 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898254151 620357707 /nfs/dbraw/zinc/35/77/07/620357707.db2.gz ASWAJAXADRANAI-GIPNMCIBSA-N 0 0 278.327 2.519 20 10 CFCDRN CC1(C)CO[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000898277500 620363414 /nfs/dbraw/zinc/36/34/14/620363414.db2.gz OHNACKXUGNGRNP-LBPRGKRZSA-N 0 0 297.782 2.867 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898286836 620364636 /nfs/dbraw/zinc/36/46/36/620364636.db2.gz MQLYYKVHZDNQDJ-KWCYVHTRSA-N 0 0 274.364 2.722 20 10 CFCDRN COc1ccc(N(CC[S@](C)=O)[C@@H](C)C2CC2)cc1 ZINC000787728114 620415926 /nfs/dbraw/zinc/41/59/26/620415926.db2.gz BSRTWKUQLAFVMA-BUXKBTBVSA-N 0 0 281.421 2.679 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(F)cc(F)c1[O-] ZINC000926936448 620427458 /nfs/dbraw/zinc/42/74/58/620427458.db2.gz KDTYKXPXSNJOSQ-XZUYRWCXSA-N 0 0 295.329 2.912 20 10 CFCDRN CN(C)c1cc(F)c(C[NH2+]C/C=C/Cl)cc1F ZINC000898428495 620461150 /nfs/dbraw/zinc/46/11/50/620461150.db2.gz IQFJSQYXUFXSOE-ONEGZZNKSA-N 0 0 260.715 2.873 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC/C=C\Cl)c1 ZINC000899054433 620517818 /nfs/dbraw/zinc/51/78/18/620517818.db2.gz YVCSCEQDXMSXRK-RWIWAZIYSA-N 0 0 284.743 2.514 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC000899134418 620523320 /nfs/dbraw/zinc/52/33/20/620523320.db2.gz WUSAWEPMGQWTEB-CQSZACIVSA-N 0 0 289.375 2.809 20 10 CFCDRN O=C(N[C@H]1CC12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899199354 620530177 /nfs/dbraw/zinc/53/01/77/620530177.db2.gz HEEBANYFYNFZOV-ZDUSSCGKSA-N 0 0 289.356 2.985 20 10 CFCDRN CC(C)Cc1ccc(C=C2SC(=S)NC2=O)cn1 ZINC000899341076 620546949 /nfs/dbraw/zinc/54/69/49/620546949.db2.gz SMKGYINPLJURCI-IZZDOVSWSA-N 0 0 278.402 2.769 20 10 CFCDRN Clc1cnc(SC[C@@H]2C[C@@H]3COC[C@H]3O2)s1 ZINC000901583559 620869394 /nfs/dbraw/zinc/86/93/94/620869394.db2.gz UEMBINFUAOFVLY-GJMOJQLCSA-N 0 0 277.798 2.693 20 10 CFCDRN COCc1cc(NCc2c(O)cc(C)cc2Cl)ncn1 ZINC000902089758 620976200 /nfs/dbraw/zinc/97/62/00/620976200.db2.gz HWBRYTQMIKTLHU-UHFFFAOYSA-N 0 0 293.754 2.903 20 10 CFCDRN CCn1cccc(NCc2cc(C)c(C)cc2O)c1=O ZINC000902122039 620982790 /nfs/dbraw/zinc/98/27/90/620982790.db2.gz LWZGUKBQOSCPRF-UHFFFAOYSA-N 0 0 272.348 2.803 20 10 CFCDRN c1nnc(COc2ccc(N3CCCC3)cc2)s1 ZINC000902284481 621014447 /nfs/dbraw/zinc/01/44/47/621014447.db2.gz XSZRMUQIJMZWKO-UHFFFAOYSA-N 0 0 261.350 2.717 20 10 CFCDRN C[C@H]1CCC[C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000237531291 621075171 /nfs/dbraw/zinc/07/51/71/621075171.db2.gz UFNNSOSCWKALJL-JSGCOSHPSA-N 0 0 260.381 2.754 20 10 CFCDRN C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000902482388 621109831 /nfs/dbraw/zinc/10/98/31/621109831.db2.gz KPFUMGNMHHLAPN-PWSUYJOCSA-N 0 0 284.350 2.853 20 10 CFCDRN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000903130156 621263245 /nfs/dbraw/zinc/26/32/45/621263245.db2.gz HIXYCZVHSSVZPL-AXFHLTTASA-N 0 0 281.327 2.524 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1[O-] ZINC000903209841 621289060 /nfs/dbraw/zinc/28/90/60/621289060.db2.gz GDDOPWFWKPCZDF-GHMZBOCLSA-N 0 0 296.798 2.565 20 10 CFCDRN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000903274682 621310074 /nfs/dbraw/zinc/31/00/74/621310074.db2.gz QIIHHXIHIYWDSF-JTQLQIEISA-N 0 0 281.306 2.548 20 10 CFCDRN C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(F)cc(F)c1[O-] ZINC000903274246 621310170 /nfs/dbraw/zinc/31/01/70/621310170.db2.gz KIJJMNCQCPROIQ-SECBINFHSA-N 0 0 299.296 2.687 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1c([O-])cccc1F ZINC000903391438 621350611 /nfs/dbraw/zinc/35/06/11/621350611.db2.gz YKOFTNBUYDSQQM-BXUZGUMPSA-N 0 0 295.354 2.520 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccc(F)cc1[O-] ZINC000903390158 621360402 /nfs/dbraw/zinc/36/04/02/621360402.db2.gz ZGFFUQWFPXAEQA-UONOGXRCSA-N 0 0 294.370 2.583 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903435653 621373657 /nfs/dbraw/zinc/37/36/57/621373657.db2.gz FKUWLRVFBFFDEC-QCZZGDTMSA-N 0 0 265.328 2.607 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000903451661 621386999 /nfs/dbraw/zinc/38/69/99/621386999.db2.gz WBZJZQWMPGAJCU-WZRBSPASSA-N 0 0 295.354 2.914 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCOc3ccc(N)cc3C2)cc1C ZINC000903947468 621485165 /nfs/dbraw/zinc/48/51/65/621485165.db2.gz WAMVRIDANTUBDD-UHFFFAOYSA-N 0 0 298.386 2.986 20 10 CFCDRN Oc1cc2c(cc1CNc1ccc(F)cc1)OCO2 ZINC000042879251 621541865 /nfs/dbraw/zinc/54/18/65/621541865.db2.gz FHXGLCJINIHCKJ-UHFFFAOYSA-N 0 0 261.252 2.872 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431756 621595220 /nfs/dbraw/zinc/59/52/20/621595220.db2.gz ZPQBKLGFNLMDAV-OAHLLOKOSA-N 0 0 280.799 2.764 20 10 CFCDRN C[C@]12CN(C(=O)Nc3ccc(N)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904501601 621602722 /nfs/dbraw/zinc/60/27/22/621602722.db2.gz USSSJWFKSRIRFA-IUPKNAOTSA-N 0 0 283.375 2.945 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2ccc(C3CC3)cn2)cc1 ZINC000904549601 621607273 /nfs/dbraw/zinc/60/72/73/621607273.db2.gz UVNIOVZAILISPN-UHFFFAOYSA-N 0 0 296.374 2.905 20 10 CFCDRN C/C(=C/c1ccc(N2CCOCC2)cc1)c1ncccn1 ZINC000905076940 621699264 /nfs/dbraw/zinc/69/92/64/621699264.db2.gz OMICPXOWSDJRCI-YPKPFQOOSA-N 0 0 281.359 2.874 20 10 CFCDRN C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O ZINC000183648586 625525279 /nfs/dbraw/zinc/52/52/79/625525279.db2.gz HVWYTVCBHABWKH-CYBMUJFWSA-N 0 0 299.374 2.797 20 10 CFCDRN C[C@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000906112029 621931917 /nfs/dbraw/zinc/93/19/17/621931917.db2.gz SNBRXZHQCZBLBZ-DGMVEKRQSA-N 0 0 299.349 2.798 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cn(C2CC2)nn1 ZINC000906281369 621966315 /nfs/dbraw/zinc/96/63/15/621966315.db2.gz SQAIBYQGSDGMDW-UHFFFAOYSA-N 0 0 298.390 2.965 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCOC2(CCCC2)C1 ZINC000907055676 622080887 /nfs/dbraw/zinc/08/08/87/622080887.db2.gz GUONAAOSKRXNCL-CYBMUJFWSA-N 0 0 289.375 2.748 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000043430152 622103366 /nfs/dbraw/zinc/10/33/66/622103366.db2.gz CAAPBSROTGDNNF-INIZCTEOSA-N 0 0 290.407 2.876 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC=C(C)C)cc1 ZINC000183805384 625542708 /nfs/dbraw/zinc/54/27/08/625542708.db2.gz QLYHURKVFGJJEC-UHFFFAOYSA-N 0 0 263.337 2.641 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000907271670 622104173 /nfs/dbraw/zinc/10/41/73/622104173.db2.gz BSQXYEQDPOVPTE-SWHYSGLUSA-N 0 0 289.375 2.581 20 10 CFCDRN C=COCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000183772892 625538237 /nfs/dbraw/zinc/53/82/37/625538237.db2.gz SKABOVNMMLIMOW-UHFFFAOYSA-N 0 0 286.331 2.806 20 10 CFCDRN CCC/C=C\[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907492335 622131794 /nfs/dbraw/zinc/13/17/94/622131794.db2.gz IVMMEOHASPNPKK-XURSXEJRSA-N 0 0 290.407 2.647 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CC(=O)C2)cc1 ZINC000908476913 622236451 /nfs/dbraw/zinc/23/64/51/622236451.db2.gz WJFOXYFXXXQVHM-UHFFFAOYSA-N 0 0 282.343 2.555 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841091298 622358900 /nfs/dbraw/zinc/35/89/00/622358900.db2.gz XJAIFXNHJAEADT-OAHLLOKOSA-N 0 0 296.386 2.569 20 10 CFCDRN COCCC(C)(C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000183976349 625565891 /nfs/dbraw/zinc/56/58/91/625565891.db2.gz PUWBSHVJHBXRPL-NSHDSACASA-N 0 0 295.379 2.641 20 10 CFCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1 ZINC000910350573 622437788 /nfs/dbraw/zinc/43/77/88/622437788.db2.gz YZEJMEGFDGMIJQ-LBPRGKRZSA-N 0 0 286.331 2.682 20 10 CFCDRN Cc1ccc(C[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910949976 622488924 /nfs/dbraw/zinc/48/89/24/622488924.db2.gz RJJHEPOMUYMVKW-ZDUSSCGKSA-N 0 0 299.370 2.901 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccc(O)cc2O)c(C)c1 ZINC000910952165 622489407 /nfs/dbraw/zinc/48/94/07/622489407.db2.gz RASVCOFQHAUOMC-UHFFFAOYSA-N 0 0 299.370 2.964 20 10 CFCDRN CC1=CC[C@@](C)(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944116 622491374 /nfs/dbraw/zinc/49/13/74/622491374.db2.gz RRAUNNWUUQQYBH-MRXNPFEDSA-N 0 0 275.348 2.851 20 10 CFCDRN CCC(C)(C)C(=O)C(=O)NCc1cc(Cl)ccc1O ZINC000911899543 622566285 /nfs/dbraw/zinc/56/62/85/622566285.db2.gz ZDXDPZMNCJWUHN-UHFFFAOYSA-N 0 0 283.755 2.667 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3nccnc3C)C2)cc1 ZINC000819935707 622576629 /nfs/dbraw/zinc/57/66/29/622576629.db2.gz TVZANEMAKONMGO-AWEZNQCLSA-N 0 0 298.390 2.732 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)N2CCCCCC2)cc1 ZINC000150728398 622716572 /nfs/dbraw/zinc/71/65/72/622716572.db2.gz VHYFQILZBAMCQC-UHFFFAOYSA-N 0 0 290.407 2.924 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000820634499 622721211 /nfs/dbraw/zinc/72/12/11/622721211.db2.gz NSGOBAXXMJJXSD-UHFFFAOYSA-N 0 0 291.326 2.571 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC2(C)C)c1 ZINC000840409423 622850325 /nfs/dbraw/zinc/85/03/25/622850325.db2.gz JNLXPBFNKWCSIV-ZANVPECISA-N 0 0 278.352 2.560 20 10 CFCDRN CCC(CC)CS(=O)(=O)N(C)Cc1ccccc1O ZINC000151260619 622876897 /nfs/dbraw/zinc/87/68/97/622876897.db2.gz HKZKIGMVZNAQRT-UHFFFAOYSA-N 0 0 285.409 2.590 20 10 CFCDRN CC(C)CCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000056343773 622979382 /nfs/dbraw/zinc/97/93/82/622979382.db2.gz JJKHRFPQIVDCPJ-UHFFFAOYSA-N 0 0 277.412 2.940 20 10 CFCDRN CN(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057660790 623007972 /nfs/dbraw/zinc/00/79/72/623007972.db2.gz GSJDBQMXLYRJFT-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN CCC(C)(C)[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000822082383 623030702 /nfs/dbraw/zinc/03/07/02/623030702.db2.gz MARBKMJWYPQPCU-IUODEOHRSA-N 0 0 292.423 2.727 20 10 CFCDRN CCc1cccc(N(C)C(=O)/C=C\c2cn(C)cn2)c1 ZINC000822321647 623080915 /nfs/dbraw/zinc/08/09/15/623080915.db2.gz CHWWRBVSLHWTGY-HJWRWDBZSA-N 0 0 269.348 2.659 20 10 CFCDRN CNC(=O)c1cccc(NCc2cccc(C)c2O)c1 ZINC000158055052 623088048 /nfs/dbraw/zinc/08/80/48/623088048.db2.gz GLLMNHLDWCVWAN-UHFFFAOYSA-N 0 0 270.332 2.672 20 10 CFCDRN O=C(NC[C@@H]1C[C@H]1C1CCC1)C1=CC(=O)CS1 ZINC000822376339 623091419 /nfs/dbraw/zinc/09/14/19/623091419.db2.gz RKGTVHZXGMOQCY-ONGXEEELSA-N 0 0 251.351 2.620 20 10 CFCDRN COc1cccc(CNC(=O)NCCCC2CCC2)c1O ZINC000822444845 623104508 /nfs/dbraw/zinc/10/45/08/623104508.db2.gz JOAWXKNMKQQREL-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000227535388 623112156 /nfs/dbraw/zinc/11/21/56/623112156.db2.gz OJJXXHIYISDEGM-WDEREUQCSA-N 0 0 263.337 2.796 20 10 CFCDRN CCC[C@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000822611997 623136092 /nfs/dbraw/zinc/13/60/92/623136092.db2.gz JRJXXGIAJMYPQD-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000822717886 623159210 /nfs/dbraw/zinc/15/92/10/623159210.db2.gz SCOCGMOTRJCFAS-MUJYYYPQSA-N 0 0 299.418 2.885 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC23CC3)cc1 ZINC000822717822 623159549 /nfs/dbraw/zinc/15/95/49/623159549.db2.gz PLKWOANURHRBCR-OAHLLOKOSA-N 0 0 287.407 2.885 20 10 CFCDRN CC[C@H](C)NC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000170653335 623171844 /nfs/dbraw/zinc/17/18/44/623171844.db2.gz PUGAITGVYZXTOY-LBPRGKRZSA-N 0 0 296.386 2.964 20 10 CFCDRN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000230153199 623255849 /nfs/dbraw/zinc/25/58/49/623255849.db2.gz JOKNVXNVOHEZOE-NOZJJQNGSA-N 0 0 255.745 2.703 20 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625032475 /nfs/dbraw/zinc/03/24/75/625032475.db2.gz JDDKHLUZERDFDR-SOFGYWHQSA-N 0 0 299.326 2.896 20 10 CFCDRN CN(Cc1cnn2ccccc12)c1ccc2c(c1)OCO2 ZINC000180761160 625037982 /nfs/dbraw/zinc/03/79/82/625037982.db2.gz VPWYFWDMQHJBNQ-UHFFFAOYSA-N 0 0 281.315 2.699 20 10 CFCDRN CSCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000068997648 625044872 /nfs/dbraw/zinc/04/48/72/625044872.db2.gz KHSIXYHFWWALEO-UHFFFAOYSA-N 0 0 290.226 2.997 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1O ZINC000180864210 625045876 /nfs/dbraw/zinc/04/58/76/625045876.db2.gz PCSXCGYQNUPIJJ-UHFFFAOYSA-N 0 0 271.316 2.678 20 10 CFCDRN COc1ccc(N(CCn2cccn2)CC2CC2)cc1 ZINC000831587783 625061609 /nfs/dbraw/zinc/06/16/09/625061609.db2.gz LTNJXFDLZGAWIT-UHFFFAOYSA-N 0 0 271.364 2.808 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC1(C)C ZINC000831930867 625182780 /nfs/dbraw/zinc/18/27/80/625182780.db2.gz JXTLIAHUQIRHGC-CMPLNLGQSA-N 0 0 277.364 2.581 20 10 CFCDRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(O)c1O ZINC000181763806 625213362 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625828053 /nfs/dbraw/zinc/82/80/53/625828053.db2.gz ZNCTVHQTGYPEJN-CQSZACIVSA-N 0 0 279.380 2.673 20 10 CFCDRN Cc1cc(F)ccc1/C=C1\SC(=S)N(C)C1=O ZINC000101683937 625843620 /nfs/dbraw/zinc/84/36/20/625843620.db2.gz HWIFAKZKTDSDIR-POHAHGRESA-N 0 0 267.350 2.965 20 10 CFCDRN CCC[C@@H](NC(=O)c1cccc(O)c1O)C1CCC1 ZINC000325205420 625890181 /nfs/dbraw/zinc/89/01/81/625890181.db2.gz IWVNRBWEWHOJAQ-GFCCVEGCSA-N 0 0 263.337 2.796 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)cc1[O-] ZINC000834831934 625890284 /nfs/dbraw/zinc/89/02/84/625890284.db2.gz LTTHTTJJTDVCKI-OLZOCXBDSA-N 0 0 275.327 2.914 20 10 CFCDRN CC[C@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000834882645 625908281 /nfs/dbraw/zinc/90/82/81/625908281.db2.gz SJNNSQLLRCGVHY-QMTHXVAHSA-N 0 0 282.340 2.766 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000834882560 625908397 /nfs/dbraw/zinc/90/83/97/625908397.db2.gz RPXATEINTANMDP-BZNIZROVSA-N 0 0 295.379 2.645 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834896050 625912724 /nfs/dbraw/zinc/91/27/24/625912724.db2.gz HOXYNCUDRHIBSR-GYSYKLTISA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834903180 625916679 /nfs/dbraw/zinc/91/66/79/625916679.db2.gz GADZRYGDSYNINI-JTQLQIEISA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000834915269 625921181 /nfs/dbraw/zinc/92/11/81/625921181.db2.gz PMSFMAIBVNDXMK-YWVKMMECSA-N 0 0 271.307 2.889 20 10 CFCDRN Cc1cc(C)cc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000851665232 634475424 /nfs/dbraw/zinc/47/54/24/634475424.db2.gz STMQUXWMGLHLPC-UHFFFAOYSA-N 0 0 297.402 2.928 20 10 CFCDRN CCOc1ccc(NC(=O)Cc2ccc(N)cc2)nc1C ZINC000851648010 634473019 /nfs/dbraw/zinc/47/30/19/634473019.db2.gz VXXVTEFCTQNMQS-UHFFFAOYSA-N 0 0 285.347 2.552 20 10 CFCDRN Cc1cc(C[N@H+](CC(=O)[O-])C2CCCC2)ccc1N(C)C ZINC000851706490 634479353 /nfs/dbraw/zinc/47/93/53/634479353.db2.gz AWTDEXAKMTZNOF-UHFFFAOYSA-N 0 0 290.407 2.890 20 10 CFCDRN Cn1cccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073955068 626400861 /nfs/dbraw/zinc/40/08/61/626400861.db2.gz LGGATTXXUHFKOO-UHFFFAOYSA-N 0 0 283.375 2.555 20 10 CFCDRN Cc1cc(C(=O)NCCCSc2nccs2)co1 ZINC000186903362 626403186 /nfs/dbraw/zinc/40/31/86/626403186.db2.gz MZEIHJQQHPIVLZ-UHFFFAOYSA-N 0 0 282.390 2.957 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253804 626459592 /nfs/dbraw/zinc/45/95/92/626459592.db2.gz KXRWFNBTDXLNTJ-IUODEOHRSA-N 0 0 290.407 2.604 20 10 CFCDRN Cc1cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1N(C)C ZINC000923251626 626460120 /nfs/dbraw/zinc/46/01/20/626460120.db2.gz GCYGLUUCLYFROU-HIFRSBDPSA-N 0 0 290.407 2.746 20 10 CFCDRN Cc1cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)ccc1N(C)C ZINC000923261038 626460511 /nfs/dbraw/zinc/46/05/11/626460511.db2.gz XCRNKJBSICWPLN-UHFFFAOYSA-N 0 0 292.423 2.994 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCC12CC2 ZINC000923508676 626477954 /nfs/dbraw/zinc/47/79/54/626477954.db2.gz LYEICNTYCGTAOG-CYBMUJFWSA-N 0 0 278.327 2.663 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000838474219 626498935 /nfs/dbraw/zinc/49/89/35/626498935.db2.gz HGMXLARCGCCLTH-HOCLYGCPSA-N 0 0 292.379 2.635 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2C[C@]2(C)C(C)C)c1 ZINC000838474217 626498972 /nfs/dbraw/zinc/49/89/72/626498972.db2.gz HGMXLARCGCCLTH-GOEBONIOSA-N 0 0 292.379 2.635 20 10 CFCDRN COC1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000840793408 626500104 /nfs/dbraw/zinc/50/01/04/626500104.db2.gz ZYNCXYBQPKPJRR-XSRFYTQQSA-N 0 0 294.351 2.909 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C(C)C)c1 ZINC000838761015 626504797 /nfs/dbraw/zinc/50/47/97/626504797.db2.gz JXMHJFQKCUIJBC-SCDSUCTJSA-N 0 0 292.379 2.806 20 10 CFCDRN Oc1cccc(Cl)c1CN1CC(OCC(F)F)C1 ZINC000839138834 626528343 /nfs/dbraw/zinc/52/83/43/626528343.db2.gz UNEOMPZOTMYOLX-UHFFFAOYSA-N 0 0 277.698 2.512 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000839191836 626530802 /nfs/dbraw/zinc/53/08/02/626530802.db2.gz KIQXJQUITVXTEM-NEPJUHHUSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000804966939 626540610 /nfs/dbraw/zinc/54/06/10/626540610.db2.gz GWEWOCOBLMXCBG-CJNGLKHVSA-N 0 0 287.407 2.885 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)O1 ZINC000757384913 626550185 /nfs/dbraw/zinc/55/01/85/626550185.db2.gz WCVZIRDBXBAHPP-HFAKWTLXSA-N 0 0 293.363 2.536 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2cnco2)C2CC2)cc1 ZINC000758284020 626587030 /nfs/dbraw/zinc/58/70/30/626587030.db2.gz DGJLUVVTUYVVQL-UHFFFAOYSA-N 0 0 285.347 2.545 20 10 CFCDRN CCOC(=O)c1ccc(NCc2cc(C)ccc2O)cn1 ZINC000758448783 626594096 /nfs/dbraw/zinc/59/40/96/626594096.db2.gz LXXARPWJEWTKSN-UHFFFAOYSA-N 0 0 286.331 2.884 20 10 CFCDRN O=C(OCc1c(F)cccc1F)c1cccc(O)c1O ZINC000758559455 626598435 /nfs/dbraw/zinc/59/84/35/626598435.db2.gz KALXAOCQGZHVKM-UHFFFAOYSA-N 0 0 280.226 2.733 20 10 CFCDRN O=C(OCCOC1CCCCCC1)c1cccc(O)c1O ZINC000758578234 626598940 /nfs/dbraw/zinc/59/89/40/626598940.db2.gz CDWYKQQFCPRYEZ-UHFFFAOYSA-N 0 0 294.347 2.994 20 10 CFCDRN CCCCCS(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000759024350 626625297 /nfs/dbraw/zinc/62/52/97/626625297.db2.gz LUAHJQSCTHAALR-UHFFFAOYSA-N 0 0 298.452 2.671 20 10 CFCDRN COc1ccc(N(C)Cc2cnc3ccccn23)cc1OC ZINC000759331216 626645562 /nfs/dbraw/zinc/64/55/62/626645562.db2.gz XGTNZTHZBJRTFI-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@H]1CCCCO1 ZINC000759590822 626674420 /nfs/dbraw/zinc/67/44/20/626674420.db2.gz XXTFOHBRKVHALF-SCXUMTSISA-N 0 0 292.331 2.613 20 10 CFCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCc2ncccc21 ZINC000759624441 626677301 /nfs/dbraw/zinc/67/73/01/626677301.db2.gz YNJFHUXIJHPWMJ-GQCTYLIASA-N 0 0 285.734 2.733 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC23CCC3)cc1 ZINC000759691512 626684006 /nfs/dbraw/zinc/68/40/06/626684006.db2.gz SXAKTKKGUQITOE-OAHLLOKOSA-N 0 0 272.392 2.901 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC23CCC3)c1 ZINC000760123255 626714822 /nfs/dbraw/zinc/71/48/22/626714822.db2.gz UMPHJZDPHHINSV-MFKMUULPSA-N 0 0 275.348 2.768 20 10 CFCDRN Cc1cc(C2CCN(C(=O)C3=CC(=O)CS3)CC2)[nH]n1 ZINC000760427426 626745279 /nfs/dbraw/zinc/74/52/79/626745279.db2.gz MMYIPZRPBVSAND-UHFFFAOYSA-N 0 0 291.376 2.505 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)nc(OC)n2)c1 ZINC000760526145 626753494 /nfs/dbraw/zinc/75/34/94/626753494.db2.gz VKHLXNSUZTXKOH-JTQLQIEISA-N 0 0 289.335 2.681 20 10 CFCDRN CCc1onc(C)c1NC(=O)C1=CC(=O)CS1 ZINC000760890234 626782658 /nfs/dbraw/zinc/78/26/58/626782658.db2.gz SKRAHQKMUOMCDI-UHFFFAOYSA-N 0 0 252.295 2.565 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(C1)CCCCC2 ZINC000761183208 626813675 /nfs/dbraw/zinc/81/36/75/626813675.db2.gz LFUOAWFRXZTUPR-UHFFFAOYSA-N 0 0 251.351 2.860 20 10 CFCDRN CC[C@@H](CC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000761222239 626817224 /nfs/dbraw/zinc/81/72/24/626817224.db2.gz RTAMEHLYSIEAHT-LURJTMIESA-N 0 0 267.272 2.915 20 10 CFCDRN CCCC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000762267437 626908405 /nfs/dbraw/zinc/90/84/05/626908405.db2.gz MOYSVPMTUGLADK-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN Cc1sc(Cl)nc1C(=O)NCc1ccccc1O ZINC000762865563 626945555 /nfs/dbraw/zinc/94/55/55/626945555.db2.gz RELZQMUWJIUQRF-UHFFFAOYSA-N 0 0 282.752 2.741 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)c(OC)c2)ccn1 ZINC000762916196 626949277 /nfs/dbraw/zinc/94/92/77/626949277.db2.gz GHDRPIJOWOKQPO-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1coc(C2CC2)n1 ZINC000763251691 626973113 /nfs/dbraw/zinc/97/31/13/626973113.db2.gz RSTQARBDKVJZOG-UHFFFAOYSA-N 0 0 272.304 2.530 20 10 CFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)CO2 ZINC000763653314 627003316 /nfs/dbraw/zinc/00/33/16/627003316.db2.gz HBCVJJSSIGALGW-AWEZNQCLSA-N 0 0 298.342 2.634 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000764376983 627054302 /nfs/dbraw/zinc/05/43/02/627054302.db2.gz ROCYNXRQBGYTDY-NSHDSACASA-N 0 0 284.306 2.721 20 10 CFCDRN 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627206842 /nfs/dbraw/zinc/20/68/42/627206842.db2.gz BXYFFDQHFPMEFV-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000766660804 627213412 /nfs/dbraw/zinc/21/34/12/627213412.db2.gz WTEMMHBFDARPNC-QMMMGPOBSA-N 0 0 276.258 2.532 20 10 CFCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)cc2n[nH]cc21 ZINC000767152962 627236848 /nfs/dbraw/zinc/23/68/48/627236848.db2.gz ISYDQPDVWHXSNK-UHFFFAOYSA-N 0 0 273.317 2.891 20 10 CFCDRN c1csc(SCCCNc2nnc(C3CC3)o2)n1 ZINC000767220129 627239929 /nfs/dbraw/zinc/23/99/29/627239929.db2.gz ZKZNRASUMYJWCN-UHFFFAOYSA-N 0 0 282.394 2.998 20 10 CFCDRN CCC(=O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000768369806 627337408 /nfs/dbraw/zinc/33/74/08/627337408.db2.gz VVKGAZLKGNGSFY-UHFFFAOYSA-N 0 0 290.388 2.865 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2cccc(F)c2C1 ZINC000768622906 627359120 /nfs/dbraw/zinc/35/91/20/627359120.db2.gz MUDKPXYFCBCQLL-UHFFFAOYSA-N 0 0 277.320 2.791 20 10 CFCDRN Cc1oc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000768900657 627385525 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627469258 /nfs/dbraw/zinc/46/92/58/627469258.db2.gz KTTOVMQWAIYFDY-YRNVUSSQSA-N 0 0 289.385 2.545 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000769989962 627494736 /nfs/dbraw/zinc/49/47/36/627494736.db2.gz SSOSBZPDTXMQSX-RNCFNFMXSA-N 0 0 281.352 2.977 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000769992836 627494808 /nfs/dbraw/zinc/49/48/08/627494808.db2.gz DTJFDJUUKKYLRN-IDFWJGBYSA-N 0 0 271.307 2.648 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(O)c1)CC2 ZINC000770493729 627526200 /nfs/dbraw/zinc/52/62/00/627526200.db2.gz HUPKTDGRQVSUPH-HYXAFXHYSA-N 0 0 280.327 2.698 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(CO)CCCC1 ZINC000770665348 627538630 /nfs/dbraw/zinc/53/86/30/627538630.db2.gz JFOCBRDYQZNQLE-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN O=C(NCCC[C@H]1CCCC[C@H]1O)C1=CC(=O)CS1 ZINC000771062759 627574179 /nfs/dbraw/zinc/57/41/79/627574179.db2.gz KDLLFRKEHVWRQI-ZYHUDNBSSA-N 0 0 283.393 2.515 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C(C)C ZINC000771289889 627590821 /nfs/dbraw/zinc/59/08/21/627590821.db2.gz ZFWWLZHQCDONHH-MRXNPFEDSA-N 0 0 292.423 2.772 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000771415846 627603348 /nfs/dbraw/zinc/60/33/48/627603348.db2.gz CTKCILXWSPHDFJ-VIFPVBQESA-N 0 0 262.334 2.648 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)NCc1ccccc1O ZINC000771429113 627604388 /nfs/dbraw/zinc/60/43/88/627604388.db2.gz BFTVMPLBQDEFAT-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN Cc1nonc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771792194 627630873 /nfs/dbraw/zinc/63/08/73/627630873.db2.gz XEKNWUYXLYDIIL-UHFFFAOYSA-N 0 0 286.379 2.609 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cscc1Cl ZINC000771837745 627635942 /nfs/dbraw/zinc/63/59/42/627635942.db2.gz MATJKHRJFAIKEQ-LZCJLJQNSA-N 0 0 261.780 2.890 20 10 CFCDRN C[C@H](Nc1ncnc2c1ncn2C)c1ccc(N(C)C)cc1 ZINC000772296250 627698365 /nfs/dbraw/zinc/69/83/65/627698365.db2.gz JDZHDOOVILCSIA-NSHDSACASA-N 0 0 296.378 2.602 20 10 CFCDRN Cc1nnc2c(N[C@H](C)c3ccc(N(C)C)cc3)nccn12 ZINC000772302019 627699218 /nfs/dbraw/zinc/69/92/18/627699218.db2.gz ZLQJSHSHNDSNFX-LLVKDONJSA-N 0 0 296.378 2.672 20 10 CFCDRN C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(N(C)C)cc1 ZINC000772300164 627699225 /nfs/dbraw/zinc/69/92/25/627699225.db2.gz ZCCIUASCPKEVOU-JTQLQIEISA-N 0 0 289.339 2.567 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccc2c1OCO2 ZINC000772598163 627725607 /nfs/dbraw/zinc/72/56/07/627725607.db2.gz ILSBZJUGFNEJOQ-UHFFFAOYSA-N 0 0 283.327 2.987 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc(F)c1 ZINC000772776761 627743849 /nfs/dbraw/zinc/74/38/49/627743849.db2.gz RPKFYXOUPJAAMQ-FNORWQNLSA-N 0 0 288.274 2.994 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 ZINC000772998286 627766083 /nfs/dbraw/zinc/76/60/83/627766083.db2.gz IWUVZWIBBCUMIR-WQVCFCJDSA-N 0 0 290.407 2.887 20 10 CFCDRN C[C@@H](NC(=O)c1cccn1C)c1ccc(N(C)C)cc1 ZINC000772996898 627766372 /nfs/dbraw/zinc/76/63/72/627766372.db2.gz TVOOVRWCFUAPHV-GFCCVEGCSA-N 0 0 271.364 2.582 20 10 CFCDRN COCCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772999810 627766685 /nfs/dbraw/zinc/76/66/85/627766685.db2.gz MNIQGOJGQDRRBM-CYBMUJFWSA-N 0 0 292.423 2.993 20 10 CFCDRN CSC[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016233 627769341 /nfs/dbraw/zinc/76/93/41/627769341.db2.gz UDZNOEODOZNQPB-NWDGAFQWSA-N 0 0 280.437 2.929 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773018801 627769551 /nfs/dbraw/zinc/76/95/51/627769551.db2.gz XISKZYRGXPFMIP-IUIKQTSFSA-N 0 0 272.392 2.976 20 10 CFCDRN CCc1ncncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773016734 627769715 /nfs/dbraw/zinc/76/97/15/627769715.db2.gz AXEDNIJHWBIKEO-LBPRGKRZSA-N 0 0 298.390 2.596 20 10 CFCDRN CC(C)COCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020796 627770175 /nfs/dbraw/zinc/77/01/75/627770175.db2.gz WFYKMURFOONGIR-CQSZACIVSA-N 0 0 292.423 2.993 20 10 CFCDRN CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021135 627770295 /nfs/dbraw/zinc/77/02/95/627770295.db2.gz YXBKKPJWDPSTAP-KGLIPLIRSA-N 0 0 292.423 2.991 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(F)CCCC1 ZINC000773215764 627796820 /nfs/dbraw/zinc/79/68/20/627796820.db2.gz URAAVFKYEOVSSB-UHFFFAOYSA-N 0 0 292.354 2.760 20 10 CFCDRN CC[C@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773315791 627805289 /nfs/dbraw/zinc/80/52/89/627805289.db2.gz LENPMYKRBSRGHH-GXTWGEPZSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@H](NC(=O)NCC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000773347757 627808565 /nfs/dbraw/zinc/80/85/65/627808565.db2.gz DAJIAXRSFRLJJR-LBPRGKRZSA-N 0 0 275.396 2.913 20 10 CFCDRN CCC/C=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773769437 627857750 /nfs/dbraw/zinc/85/77/50/627857750.db2.gz VBQNHLYQHUHIFS-QRGHLMKCSA-N 0 0 263.337 2.501 20 10 CFCDRN C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774233734 627907217 /nfs/dbraw/zinc/90/72/17/627907217.db2.gz RLZVPQIAQFCDGY-RNFRBKRXSA-N 0 0 291.178 2.614 20 10 CFCDRN CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774911074 627978153 /nfs/dbraw/zinc/97/81/53/627978153.db2.gz WUNHHFFWMBFLHT-OAHLLOKOSA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c(O)c(CNc2ccc(C)cn2)ccc1[N+](=O)[O-] ZINC000774978516 627983137 /nfs/dbraw/zinc/98/31/37/627983137.db2.gz VENJPPASWLYFKP-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN C=Cn1cc(CN2CCCc3cc(OC)ccc32)cn1 ZINC000775056757 627988705 /nfs/dbraw/zinc/98/87/05/627988705.db2.gz MARJCSXIBMKVHT-UHFFFAOYSA-N 0 0 269.348 2.945 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775097765 627993767 /nfs/dbraw/zinc/99/37/67/627993767.db2.gz MRAAIIIYNUVFAL-GXSJLCMTSA-N 0 0 280.324 2.587 20 10 CFCDRN C[C@H](NC(=O)CCn1cccc1)c1ccc(N(C)C)cc1 ZINC000775404809 628021919 /nfs/dbraw/zinc/02/19/19/628021919.db2.gz OQCUZBFZXCVWPF-AWEZNQCLSA-N 0 0 285.391 2.822 20 10 CFCDRN CCOc1ccc(N(C)CCCn2ccnc2)cc1 ZINC000775620453 628046721 /nfs/dbraw/zinc/04/67/21/628046721.db2.gz ZFDYITGBQGZFEL-UHFFFAOYSA-N 0 0 259.353 2.808 20 10 CFCDRN CCCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638485 628048476 /nfs/dbraw/zinc/04/84/76/628048476.db2.gz FENUVSJADQNFDU-UHFFFAOYSA-N 0 0 275.751 2.779 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(CCO)CC1 ZINC000775647934 628049574 /nfs/dbraw/zinc/04/95/74/628049574.db2.gz IEYHCMBMIPXFCQ-UHFFFAOYSA-N 0 0 269.772 2.640 20 10 CFCDRN CC(C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647933 628049630 /nfs/dbraw/zinc/04/96/30/628049630.db2.gz IDUUKENCIAEBDU-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CCC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775716792 628058313 /nfs/dbraw/zinc/05/83/13/628058313.db2.gz GLZYISVUBXCSND-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H](COC)OC ZINC000852018302 634628060 /nfs/dbraw/zinc/62/80/60/634628060.db2.gz LJQKAJIHKOQEID-HNNXBMFYSA-N 0 0 281.396 2.656 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCCn1ccnc1 ZINC000775936725 628085512 /nfs/dbraw/zinc/08/55/12/628085512.db2.gz XSPONVVKTZJBKU-UHFFFAOYSA-N 0 0 271.364 2.735 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776064983 628098633 /nfs/dbraw/zinc/09/86/33/628098633.db2.gz BYPMBRVKGAHDKW-SNVBAGLBSA-N 0 0 277.755 2.556 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776065964 628098708 /nfs/dbraw/zinc/09/87/08/628098708.db2.gz MTRUQCNETRJVHK-VIFPVBQESA-N 0 0 295.745 2.696 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000776247636 628121711 /nfs/dbraw/zinc/12/17/11/628121711.db2.gz GCJNWLXXWMXIOK-LLVKDONJSA-N 0 0 295.766 2.579 20 10 CFCDRN CCOc1cccc(NCc2c(O)cccc2OC)n1 ZINC000776249966 628122289 /nfs/dbraw/zinc/12/22/89/628122289.db2.gz ARPSRHULWVDEDJ-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000776474257 628152931 /nfs/dbraw/zinc/15/29/31/628152931.db2.gz NSBKYZBPLSQRTN-UONOGXRCSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(O)c1O ZINC000776663084 628167145 /nfs/dbraw/zinc/16/71/45/628167145.db2.gz FKRCCBDHRDZXML-CHWSQXEVSA-N 0 0 275.348 2.796 20 10 CFCDRN COc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000776747830 628174281 /nfs/dbraw/zinc/17/42/81/628174281.db2.gz NEXRGZZTNHYBJX-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2cocn2)cc1 ZINC000777034877 628193325 /nfs/dbraw/zinc/19/33/25/628193325.db2.gz BPLVGJYWTNRINM-LBPRGKRZSA-N 0 0 259.353 2.982 20 10 CFCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1C1CC1 ZINC000777403642 628222943 /nfs/dbraw/zinc/22/29/43/628222943.db2.gz JPPFQNUXBXUPJW-UITAMQMPSA-N 0 0 280.349 2.584 20 10 CFCDRN COC(=O)CC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000777482851 628229602 /nfs/dbraw/zinc/22/96/02/628229602.db2.gz CBHZUTQMDCUIMO-UHFFFAOYSA-N 0 0 289.734 2.616 20 10 CFCDRN CCOc1ccc(CNc2nnc(CC)s2)c(O)c1 ZINC000777505225 628231133 /nfs/dbraw/zinc/23/11/33/628231133.db2.gz MZVFIIORSVNICR-UHFFFAOYSA-N 0 0 279.365 2.817 20 10 CFCDRN CCOc1ccc(CNc2nc(C(C)C)no2)c(O)c1 ZINC000777520517 628232036 /nfs/dbraw/zinc/23/20/36/628232036.db2.gz PMHKFWDEUSBVJV-UHFFFAOYSA-N 0 0 277.324 2.909 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1F ZINC000778073470 628275902 /nfs/dbraw/zinc/27/59/02/628275902.db2.gz OTTHPGMJHOMJFO-WFASDCNBSA-N 0 0 293.386 2.642 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000778239813 628291113 /nfs/dbraw/zinc/29/11/13/628291113.db2.gz VBVBPDKIMDNWGM-XPTSAGLGSA-N 0 0 283.318 2.914 20 10 CFCDRN CC[C@@H](C)n1nc(C(=O)NCc2ccccc2O)cc1C ZINC000778390255 628303570 /nfs/dbraw/zinc/30/35/70/628303570.db2.gz ZLVYCWDJTJCFBH-LLVKDONJSA-N 0 0 287.363 2.798 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cncc(F)c1 ZINC000779169723 628357578 /nfs/dbraw/zinc/35/75/78/628357578.db2.gz RWLFFQLSESFHEF-UHFFFAOYSA-N 0 0 287.338 2.686 20 10 CFCDRN CCN(Cc1ccoc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779481068 628384522 /nfs/dbraw/zinc/38/45/22/628384522.db2.gz JVFSKIHZRNADQG-XQRVVYSFSA-N 0 0 287.315 2.753 20 10 CFCDRN CCN(Cc1ccncc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779509153 628386041 /nfs/dbraw/zinc/38/60/41/628386041.db2.gz KRZHAFBUANRUED-GQCTYLIASA-N 0 0 298.342 2.555 20 10 CFCDRN CC1(C)C(NC(=O)/C=C\c2ccc(O)c(O)c2)C1(C)C ZINC000779529447 628386359 /nfs/dbraw/zinc/38/63/59/628386359.db2.gz CJFIBOCAFLYAPP-VURMDHGXSA-N 0 0 275.348 2.662 20 10 CFCDRN C[C@H]1CCCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779522520 628386646 /nfs/dbraw/zinc/38/66/46/628386646.db2.gz TZXGBXKFHSHLAT-UPZNUWHASA-N 0 0 275.348 2.902 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC2CCC1CC2 ZINC000779534506 628386956 /nfs/dbraw/zinc/38/69/56/628386956.db2.gz GTTFOWHXKRUXQT-ZEZOWPMWSA-N 0 0 287.359 2.806 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC2CCC1CC2 ZINC000779534503 628387057 /nfs/dbraw/zinc/38/70/57/628387057.db2.gz GTTFOWHXKRUXQT-XOXYAJBSSA-N 0 0 287.359 2.806 20 10 CFCDRN CC1(C)CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779547034 628387421 /nfs/dbraw/zinc/38/74/21/628387421.db2.gz IMKXRXTUAXWZEG-FVOPLDGLSA-N 0 0 275.348 2.806 20 10 CFCDRN CC1(C)CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779547037 628387536 /nfs/dbraw/zinc/38/75/36/628387536.db2.gz IMKXRXTUAXWZEG-TXNVCOODSA-N 0 0 275.348 2.806 20 10 CFCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000779665265 628392622 /nfs/dbraw/zinc/39/26/22/628392622.db2.gz FULAXWUXKWVCKF-RUDMXATFSA-N 0 0 298.342 2.862 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnc(N(C)C)nc1 ZINC000780767191 628496032 /nfs/dbraw/zinc/49/60/32/628496032.db2.gz QMZJGFHBVAHUSP-UHFFFAOYSA-N 0 0 298.390 2.504 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000780783453 628496809 /nfs/dbraw/zinc/49/68/09/628496809.db2.gz CPZBHPZCKRAZSH-SRVKXCTJSA-N 0 0 292.379 2.950 20 10 CFCDRN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892909 628503103 /nfs/dbraw/zinc/50/31/03/628503103.db2.gz RDVKHTHAJLZRSE-GHMZBOCLSA-N 0 0 269.772 2.638 20 10 CFCDRN CN(C)c1ccc(CN2CCC=C(F)C2)cc1F ZINC000780894561 628503192 /nfs/dbraw/zinc/50/31/92/628503192.db2.gz HVCRRIQHQNELOR-UHFFFAOYSA-N 0 0 252.308 2.951 20 10 CFCDRN Cc1ccc(C(=O)Nc2scnc2C2CC2)c(O)c1O ZINC000780996362 628511623 /nfs/dbraw/zinc/51/16/23/628511623.db2.gz CFKZNHWGEKPSNX-UHFFFAOYSA-N 0 0 290.344 2.992 20 10 CFCDRN O=C1/C(=C\c2cncnc2)SC(=S)N1c1ccccc1 ZINC000781107023 628522221 /nfs/dbraw/zinc/52/22/21/628522221.db2.gz OMDJTNBPQGOLBH-WUXMJOGZSA-N 0 0 299.380 2.882 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CCCOC2)cc1 ZINC000781135883 628525261 /nfs/dbraw/zinc/52/52/61/628525261.db2.gz BOLFMDBEOZANGT-QGZVFWFLSA-N 0 0 290.407 2.528 20 10 CFCDRN Cc1nscc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000781338654 628540973 /nfs/dbraw/zinc/54/09/73/628540973.db2.gz YSUOJJBCPRYSRA-UHFFFAOYSA-N 0 0 289.404 2.756 20 10 CFCDRN CCOc1nccnc1NCc1ccc(N(C)C)cc1C ZINC000781386156 628545171 /nfs/dbraw/zinc/54/51/71/628545171.db2.gz SQODYDCANUUECE-UHFFFAOYSA-N 0 0 286.379 2.862 20 10 CFCDRN Cc1cc2c(cc1NC(=O)C1=CC(=O)CS1)OCO2 ZINC000781436811 628548088 /nfs/dbraw/zinc/54/80/88/628548088.db2.gz RHZIFVASEXOZHX-UHFFFAOYSA-N 0 0 277.301 2.743 20 10 CFCDRN CC1(C)CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000782015740 628596954 /nfs/dbraw/zinc/59/69/54/628596954.db2.gz VNFYADYSSLWGTE-LBPRGKRZSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000782013122 628597104 /nfs/dbraw/zinc/59/71/04/628597104.db2.gz GBSAYLDQMWXEIR-NSHDSACASA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@H]1COc2ccccc2CN1C(=O)C1=CC(=O)CS1 ZINC000782881557 628661267 /nfs/dbraw/zinc/66/12/67/628661267.db2.gz ZNEUDUUWKMJMLU-JTQLQIEISA-N 0 0 289.356 2.877 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cc(Cl)cc2c1OCC2 ZINC000782881456 628661537 /nfs/dbraw/zinc/66/15/37/628661537.db2.gz UOWFWXXQXPSLLY-WEVVVXLNSA-N 0 0 297.788 2.764 20 10 CFCDRN CC[C@H]([NH2+]CCN1CCC1)c1cccc(Cl)c1[O-] ZINC000806149270 628664676 /nfs/dbraw/zinc/66/46/76/628664676.db2.gz RJKHZRFLPYABAH-ZDUSSCGKSA-N 0 0 268.788 2.792 20 10 CFCDRN CCN(CC)c1ccc(CNc2cncc3ncnn32)cc1 ZINC000782949848 628665222 /nfs/dbraw/zinc/66/52/22/628665222.db2.gz OBZSMELEXIJHRB-UHFFFAOYSA-N 0 0 296.378 2.583 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCCS1 ZINC000783051278 628671888 /nfs/dbraw/zinc/67/18/88/628671888.db2.gz PORROERCDVUDGY-HNNXBMFYSA-N 0 0 292.448 2.963 20 10 CFCDRN Cc1cc(C(=O)OC2CC2)c(C)n1-c1ccccn1 ZINC000783218931 628686826 /nfs/dbraw/zinc/68/68/26/628686826.db2.gz BPEWSJDWKKQZNP-UHFFFAOYSA-N 0 0 256.305 2.808 20 10 CFCDRN O=C(CCCc1ccsc1)NCc1ccc(O)c(O)c1 ZINC000783590098 628724585 /nfs/dbraw/zinc/72/45/85/628724585.db2.gz UUTHRELBOUNGOK-UHFFFAOYSA-N 0 0 291.372 2.798 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCOC2)cc1OC ZINC000783668751 628732846 /nfs/dbraw/zinc/73/28/46/628732846.db2.gz ZBZYNSCSESJDLX-LBPRGKRZSA-N 0 0 265.353 2.567 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC23CCC(CC2)C3)cc1 ZINC000783927712 628756195 /nfs/dbraw/zinc/75/61/95/628756195.db2.gz AGOHBZUAZQXZIX-UHFFFAOYSA-N 0 0 287.407 2.885 20 10 CFCDRN CC(C(=O)OCC(=O)c1ccc(O)c(O)c1)=C1CCCC1 ZINC000784071513 628772032 /nfs/dbraw/zinc/77/20/32/628772032.db2.gz SACLGDUEXFXRJG-UHFFFAOYSA-N 0 0 290.315 2.714 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CO[C@H](C)C1 ZINC000784365600 628810650 /nfs/dbraw/zinc/81/06/50/628810650.db2.gz MDMRNTLIAGYMJT-HIFRSBDPSA-N 0 0 290.407 2.526 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@H]2C(F)F)cc1 ZINC000785770703 628912973 /nfs/dbraw/zinc/91/29/73/628912973.db2.gz ZHFLVXMERYWUSM-ZDUSSCGKSA-N 0 0 254.324 2.982 20 10 CFCDRN O=C(NCc1cccc2cc[nH]c21)NCc1ccccc1O ZINC000786228579 628944117 /nfs/dbraw/zinc/94/41/17/628944117.db2.gz XDXDUVRQDPYDFS-UHFFFAOYSA-N 0 0 295.342 2.873 20 10 CFCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])s1 ZINC000786793028 628979603 /nfs/dbraw/zinc/97/96/03/628979603.db2.gz IZDOAHVQYMVPGP-UHFFFAOYSA-N 0 0 264.306 2.998 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCC(C)(C)O)cc1 ZINC000787054572 628990715 /nfs/dbraw/zinc/99/07/15/628990715.db2.gz PWALYPHNEZKYJA-UHFFFAOYSA-N 0 0 292.423 2.700 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCCO2)cc1OC ZINC000787187101 628997941 /nfs/dbraw/zinc/99/79/41/628997941.db2.gz NVTNPEGIKMFUTA-CYBMUJFWSA-N 0 0 265.353 2.709 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@@H](C)O)cc1 ZINC000787584096 629020659 /nfs/dbraw/zinc/02/06/59/629020659.db2.gz GLQCYWZNHNWLNR-CYBMUJFWSA-N 0 0 273.332 2.632 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2nonc21 ZINC000787792247 629036390 /nfs/dbraw/zinc/03/63/90/629036390.db2.gz ZVNBRYAOJNDRFZ-UHFFFAOYSA-N 0 0 298.302 2.592 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CC(C)(C)C3)ccc21 ZINC000788929304 629109633 /nfs/dbraw/zinc/10/96/33/629109633.db2.gz SFINEKYEINVKED-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncnn1C ZINC000788982352 629113241 /nfs/dbraw/zinc/11/32/41/629113241.db2.gz HPURVYDRXQFQGZ-FXPVBKGRSA-N 0 0 290.342 2.559 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ncnn2C)cc1 ZINC000788984792 629113720 /nfs/dbraw/zinc/11/37/20/629113720.db2.gz UBDKAWMOLNPMCI-OLZOCXBDSA-N 0 0 287.411 2.683 20 10 CFCDRN COC(=O)[C@@H](NCc1cc(F)ccc1O)c1cccs1 ZINC000789573385 629167527 /nfs/dbraw/zinc/16/75/27/629167527.db2.gz WPDMJKZLZGUYON-ZDUSSCGKSA-N 0 0 295.335 2.597 20 10 CFCDRN O=C(CCCF)NCc1cc(Br)ccc1O ZINC000854442815 635305841 /nfs/dbraw/zinc/30/58/41/635305841.db2.gz YLKUNMIKAAGJAZ-UHFFFAOYSA-N 0 0 290.132 2.521 20 10 CFCDRN Oc1ccc(Cl)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761235 629186253 /nfs/dbraw/zinc/18/62/53/629186253.db2.gz DHESMZUYYIWYQG-AWEZNQCLSA-N 0 0 289.762 2.969 20 10 CFCDRN CCN(Cc1cccs1)C(=O)c1c(F)ccc(O)c1O ZINC000789955249 629199729 /nfs/dbraw/zinc/19/97/29/629199729.db2.gz WCKULDVMRALPGO-UHFFFAOYSA-N 0 0 295.335 2.961 20 10 CFCDRN CC(C)CC1(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000790071202 629208215 /nfs/dbraw/zinc/20/82/15/629208215.db2.gz QDMXDPHVOMKNCE-UHFFFAOYSA-N 0 0 281.327 2.793 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccsc1Cl ZINC000790100792 629210810 /nfs/dbraw/zinc/21/08/10/629210810.db2.gz IILFJUKJFICAJS-HYXAFXHYSA-N 0 0 261.780 2.890 20 10 CFCDRN CCOc1ccc(CNC(C)(C)c2nc(C)no2)c(O)c1 ZINC000790623193 629252848 /nfs/dbraw/zinc/25/28/48/629252848.db2.gz PMFIINUJYKDDPV-UHFFFAOYSA-N 0 0 291.351 2.507 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1(O)CCC1 ZINC000790638090 629254336 /nfs/dbraw/zinc/25/43/36/629254336.db2.gz TVMARHPDSWCEQG-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN CCC[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1 ZINC000790647866 629254769 /nfs/dbraw/zinc/25/47/69/629254769.db2.gz CICKCRVJCQEESO-ZDUSSCGKSA-N 0 0 286.331 2.764 20 10 CFCDRN O=C(NC1(c2ccccc2)CC1)c1cccc(O)c1O ZINC000790673492 629256842 /nfs/dbraw/zinc/25/68/42/629256842.db2.gz WBTCCRGQTHXVID-UHFFFAOYSA-N 0 0 269.300 2.517 20 10 CFCDRN O=C(N[C@@H]1CSc2ccccc21)c1cccc(O)c1O ZINC000790739530 629259243 /nfs/dbraw/zinc/25/92/43/629259243.db2.gz DBTOVQJPMBSLFN-LLVKDONJSA-N 0 0 287.340 2.675 20 10 CFCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1 ZINC000790754627 629260014 /nfs/dbraw/zinc/26/00/14/629260014.db2.gz QTAXJBHFDCELAH-AWEZNQCLSA-N 0 0 286.331 2.620 20 10 CFCDRN CN(C)C(C)(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790947146 629272882 /nfs/dbraw/zinc/27/28/82/629272882.db2.gz JLLHKDSVKGSIGI-UHFFFAOYSA-N 0 0 274.767 2.615 20 10 CFCDRN C[C@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCOC1 ZINC000790958657 629274269 /nfs/dbraw/zinc/27/42/69/629274269.db2.gz KGCGSHBVTJEGNC-CYBMUJFWSA-N 0 0 273.735 2.701 20 10 CFCDRN C[C@H]1CCCN1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970651 629275480 /nfs/dbraw/zinc/27/54/80/629275480.db2.gz MTNFGRNSWHBABT-JTQLQIEISA-N 0 0 286.778 2.759 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000790970633 629275705 /nfs/dbraw/zinc/27/57/05/629275705.db2.gz ASKDQPUSAUKFGC-LBPRGKRZSA-N 0 0 299.729 2.909 20 10 CFCDRN CC[C@H](O)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790973380 629276252 /nfs/dbraw/zinc/27/62/52/629276252.db2.gz NBYLLFDNOQMKAW-VIFPVBQESA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976876 629276690 /nfs/dbraw/zinc/27/66/90/629276690.db2.gz OJHYNYGIMVNWAN-NOZJJQNGSA-N 0 0 298.789 2.757 20 10 CFCDRN COc1nn(C)cc1NCc1c(O)ccc(Cl)c1F ZINC000790990563 629278355 /nfs/dbraw/zinc/27/83/55/629278355.db2.gz GBGKWOONNKOSRE-UHFFFAOYSA-N 0 0 285.706 2.539 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1nccn1CC ZINC000791389887 629307882 /nfs/dbraw/zinc/30/78/82/629307882.db2.gz ZBFWKZUSXNWSQH-UHFFFAOYSA-N 0 0 287.363 2.661 20 10 CFCDRN CC[C@@H](C)n1ncc(NC(=O)c2cccc(O)c2O)c1C ZINC000791569037 629334634 /nfs/dbraw/zinc/33/46/34/629334634.db2.gz PVAKGISWFOABET-SECBINFHSA-N 0 0 289.335 2.826 20 10 CFCDRN CCOCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045523 629341801 /nfs/dbraw/zinc/34/18/01/629341801.db2.gz VXBXEFVODFRVLX-SREVYHEPSA-N 0 0 262.397 2.734 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OC[C@@H](C)O ZINC000791793338 629358584 /nfs/dbraw/zinc/35/85/84/629358584.db2.gz AWWBIRJJWKRVAJ-CQSZACIVSA-N 0 0 287.359 2.940 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)CC(C)(C)O)cc1 ZINC000792034312 629390981 /nfs/dbraw/zinc/39/09/81/629390981.db2.gz FFHWAPRGFPMGDO-UHFFFAOYSA-N 0 0 292.423 2.652 20 10 CFCDRN C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792173853 629405347 /nfs/dbraw/zinc/40/53/47/629405347.db2.gz DPMCGKGFLXKNHX-UWVGGRQHSA-N 0 0 286.778 2.709 20 10 CFCDRN CC1(C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1O ZINC000792178364 629405468 /nfs/dbraw/zinc/40/54/68/629405468.db2.gz DBIFUFARJYVWTL-LBPRGKRZSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2(C)CC2)c1 ZINC000792199057 629409514 /nfs/dbraw/zinc/40/95/14/629409514.db2.gz PSOQUFXMIKSNHI-NSHDSACASA-N 0 0 292.379 2.951 20 10 CFCDRN Cc1nc2ccc(C(=O)NCc3ccccc3O)cc2o1 ZINC000792239991 629413615 /nfs/dbraw/zinc/41/36/15/629413615.db2.gz PFSWUJKQNOZZDH-UHFFFAOYSA-N 0 0 282.299 2.772 20 10 CFCDRN C[C@@](O)(CNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000792511262 629429723 /nfs/dbraw/zinc/42/97/23/629429723.db2.gz ALPNMNFSUVDUJJ-CQSZACIVSA-N 0 0 283.393 2.515 20 10 CFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1ccc2cc[nH]c2c1 ZINC000792573431 629435264 /nfs/dbraw/zinc/43/52/64/629435264.db2.gz LFGKUXIYBCSTGD-ZZXKWVIFSA-N 0 0 280.331 2.578 20 10 CFCDRN O=C(NCc1ccc2ncccc2c1)C1=CC(=O)CS1 ZINC000792687539 629445230 /nfs/dbraw/zinc/44/52/30/629445230.db2.gz RNHRQYOWMNEXPU-UHFFFAOYSA-N 0 0 284.340 2.932 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H](C)C2CCCC2)c(O)c1 ZINC000792937978 629468311 /nfs/dbraw/zinc/46/83/11/629468311.db2.gz AXZMMFNDFBPDRE-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220224 629507675 /nfs/dbraw/zinc/50/76/75/629507675.db2.gz LZSNYICUXLSQQU-HTQZYQBOSA-N 0 0 270.716 2.937 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000793275715 629518134 /nfs/dbraw/zinc/51/81/34/629518134.db2.gz YDMRCIULKFEGGW-NEPJUHHUSA-N 0 0 292.379 2.636 20 10 CFCDRN COc1cc(CN2CCO[C@@H]3C[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000793616057 629579162 /nfs/dbraw/zinc/57/91/62/629579162.db2.gz JEBUVZPCENKXJN-LSDHHAIUSA-N 0 0 291.391 2.671 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H]3C[C@H]32)cc1C(C)C ZINC000793621337 629579858 /nfs/dbraw/zinc/57/98/58/629579858.db2.gz PVQPVVVBVDZIQE-ZBFHGGJFSA-N 0 0 261.365 2.797 20 10 CFCDRN COc1ccc(CNC(=O)CC2CCCC2)c(O)c1 ZINC000794376090 629641536 /nfs/dbraw/zinc/64/15/36/629641536.db2.gz BXAYZIBXQQBATM-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)c2cccs2)c(O)c1 ZINC000794377017 629641564 /nfs/dbraw/zinc/64/15/64/629641564.db2.gz KHWQXYZBJGPXTC-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN COc1ccc(CNC(=O)C=C2CCCCC2)c(O)c1 ZINC000794370554 629641606 /nfs/dbraw/zinc/64/16/06/629641606.db2.gz PDCREIONAFCHTK-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(F)cc2C)c(O)c1 ZINC000794382206 629641995 /nfs/dbraw/zinc/64/19/95/629641995.db2.gz ZHSKRNKMCAORLM-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc3c2CCC3)c(O)c1 ZINC000794379569 629642232 /nfs/dbraw/zinc/64/22/32/629642232.db2.gz QIGWNAARTJZQCB-UHFFFAOYSA-N 0 0 297.354 2.820 20 10 CFCDRN COc1ccc(CNC(=O)C2=C(C)CCC2)c(O)c1 ZINC000794379278 629642317 /nfs/dbraw/zinc/64/23/17/629642317.db2.gz KNNRIHQBBNMXCZ-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc(F)c2F)c(O)c1 ZINC000794391190 629642890 /nfs/dbraw/zinc/64/28/90/629642890.db2.gz UYZQGILDIYEUGW-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN CN(C)c1ccc(CN2C[C@H](CO)Cc3ccccc32)cc1 ZINC000794581056 629664615 /nfs/dbraw/zinc/66/46/15/629664615.db2.gz XTPXLNXDEJFLCO-MRXNPFEDSA-N 0 0 296.414 2.924 20 10 CFCDRN CC[C@@H](NCc1ncnn1CC)c1ccc(N(C)C)cc1 ZINC000794842045 629693063 /nfs/dbraw/zinc/69/30/63/629693063.db2.gz PDALNSIHBOYJAU-OAHLLOKOSA-N 0 0 287.411 2.605 20 10 CFCDRN CCOC(=O)C(CC)(CC)NCc1ccc(N(C)C)cc1 ZINC000795747694 629829704 /nfs/dbraw/zinc/82/97/04/629829704.db2.gz UWVODTVABOLBSQ-UHFFFAOYSA-N 0 0 292.423 2.964 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2C=CCC2)cc1 ZINC000852513906 634768860 /nfs/dbraw/zinc/76/88/60/634768860.db2.gz WMYBBBFDCXEYHT-AWEZNQCLSA-N 0 0 273.380 2.613 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1ccc(F)cc1[O-] ZINC000796702624 629952930 /nfs/dbraw/zinc/95/29/30/629952930.db2.gz LZHBHPVXYUUFQB-ZFWWWQNUSA-N 0 0 299.386 2.606 20 10 CFCDRN CC[C@H]([NH2+]CC1(O)CCCC1)c1ccc(F)cc1[O-] ZINC000796758232 629961413 /nfs/dbraw/zinc/96/14/13/629961413.db2.gz BSNUCFABLFIFLS-ZDUSSCGKSA-N 0 0 267.344 2.877 20 10 CFCDRN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(F)cc1[O-] ZINC000796764987 629962504 /nfs/dbraw/zinc/96/25/04/629962504.db2.gz VKXKOVHOXCNWGT-HIFRSBDPSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796774993 629964161 /nfs/dbraw/zinc/96/41/61/629964161.db2.gz BEHPQTAHGSMKSC-OCCSQVGLSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(F)cc1[O-] ZINC000796779588 629965433 /nfs/dbraw/zinc/96/54/33/629965433.db2.gz PNAWQDJFAIXXBF-AAEUAGOBSA-N 0 0 287.400 2.686 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)COCCOC)c1ccc(F)cc1[O-] ZINC000796828732 629974456 /nfs/dbraw/zinc/97/44/56/629974456.db2.gz UIWVBRKAOYXWQT-FZMZJTMJSA-N 0 0 285.359 2.624 20 10 CFCDRN CC[C@@H]([NH2+]CCc1ccnn1C)c1ccc(F)cc1[O-] ZINC000796940858 629992498 /nfs/dbraw/zinc/99/24/98/629992498.db2.gz XNLQDAYGVZBIRB-CQSZACIVSA-N 0 0 277.343 2.548 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797077831 630013621 /nfs/dbraw/zinc/01/36/21/630013621.db2.gz HBUJPOTWJWWOPO-GARJFASQSA-N 0 0 285.334 2.994 20 10 CFCDRN Cc1cc[nH]c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797993171 630139466 /nfs/dbraw/zinc/13/94/66/630139466.db2.gz PQAHUDBSWOEFDT-LBPRGKRZSA-N 0 0 271.364 2.880 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000808549496 630144342 /nfs/dbraw/zinc/14/43/42/630144342.db2.gz DXQFWPOJAXVUBP-GFCCVEGCSA-N 0 0 290.359 2.690 20 10 CFCDRN Cc1cc(NCc2cc(F)ccc2O)ccc1C(N)=O ZINC000798084672 630147791 /nfs/dbraw/zinc/14/77/91/630147791.db2.gz FISBQTQZZXSQSR-UHFFFAOYSA-N 0 0 274.295 2.551 20 10 CFCDRN c1csc(Sc2nnc3n2CCCCC3)n1 ZINC000798189784 630163079 /nfs/dbraw/zinc/16/30/79/630163079.db2.gz LHZKLNUDZGJRKI-UHFFFAOYSA-N 0 0 252.368 2.612 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C)c(O)c1O ZINC000799063412 630272409 /nfs/dbraw/zinc/27/24/09/630272409.db2.gz WEFABIRETWJTLO-GXSJLCMTSA-N 0 0 263.337 2.572 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)CSC)c1 ZINC000800518389 630394152 /nfs/dbraw/zinc/39/41/52/630394152.db2.gz ANTFIWWRYHRWEO-JTQLQIEISA-N 0 0 297.420 2.967 20 10 CFCDRN Oc1cc2c(cc1CN1CCCC[C@@H]1C(F)F)OCO2 ZINC000800533148 630394651 /nfs/dbraw/zinc/39/46/51/630394651.db2.gz IAWROKYPCJTKAS-SNVBAGLBSA-N 0 0 285.290 2.741 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)c1cccnc1 ZINC000839910095 630398560 /nfs/dbraw/zinc/39/85/60/630398560.db2.gz LHNFOQIUIKFIHZ-UHFFFAOYSA-N 0 0 276.361 2.556 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1 ZINC000839912151 630398879 /nfs/dbraw/zinc/39/88/79/630398879.db2.gz BYHCEHGONDQYKZ-AWEZNQCLSA-N 0 0 297.402 2.817 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@](F)(CO)C2)cc1F ZINC000802661957 630536959 /nfs/dbraw/zinc/53/69/59/630536959.db2.gz YPFVJGTWTCTOSA-MRXNPFEDSA-N 0 0 298.377 2.578 20 10 CFCDRN O=C(Cc1coc2ccccc12)NCc1ccc(O)c(O)c1 ZINC000802785256 630547090 /nfs/dbraw/zinc/54/70/90/630547090.db2.gz ZSWOPQLVSQDJOU-UHFFFAOYSA-N 0 0 297.310 2.703 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806137018 630771524 /nfs/dbraw/zinc/77/15/24/630771524.db2.gz GBIZJAACTKOWQW-ZWNOBZJWSA-N 0 0 268.788 2.790 20 10 CFCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)F ZINC000836223458 630774464 /nfs/dbraw/zinc/77/44/64/630774464.db2.gz YMCKDTLZSMRKGJ-GFCCVEGCSA-N 0 0 285.338 2.596 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(F)cc1[O-] ZINC000806170178 630779243 /nfs/dbraw/zinc/77/92/43/630779243.db2.gz WQNXUWMWMVPOMS-RISCZKNCSA-N 0 0 269.360 2.837 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000806169978 630779720 /nfs/dbraw/zinc/77/97/20/630779720.db2.gz UDICXLILNPHUPB-UWVGGRQHSA-N 0 0 273.323 2.586 20 10 CFCDRN C[C@H](F)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836481518 630830685 /nfs/dbraw/zinc/83/06/85/630830685.db2.gz HYMKBEUMDVFUTO-LBPRGKRZSA-N 0 0 281.375 2.642 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000836590690 630855608 /nfs/dbraw/zinc/85/56/08/630855608.db2.gz PRHSODWSAPRJTM-HIFRSBDPSA-N 0 0 289.423 2.906 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCCC2(F)F)c(O)c1O ZINC000836832597 630895782 /nfs/dbraw/zinc/89/57/82/630895782.db2.gz BBGFVGIBIKKPNQ-SECBINFHSA-N 0 0 285.290 2.571 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1O ZINC000836882639 630907753 /nfs/dbraw/zinc/90/77/53/630907753.db2.gz AVOKQRGCFPYRNT-ZIAGYGMSSA-N 0 0 287.359 2.667 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCc2ccccc2CC1 ZINC000836922681 630917929 /nfs/dbraw/zinc/91/79/29/630917929.db2.gz PPGBBHMCUOYXPH-UHFFFAOYSA-N 0 0 297.354 2.729 20 10 CFCDRN CC1(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1 ZINC000837033937 630940684 /nfs/dbraw/zinc/94/06/84/630940684.db2.gz HZBHCFZOQQSHCB-HYXAFXHYSA-N 0 0 273.332 2.560 20 10 CFCDRN CCC[C@H](C)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC000808094179 630950177 /nfs/dbraw/zinc/95/01/77/630950177.db2.gz DUBDINKYIKORFC-NSHDSACASA-N 0 0 270.369 2.930 20 10 CFCDRN Oc1cc2c(cc1CN1CCOCC(F)(F)C1)CCCC2 ZINC000808234610 630970387 /nfs/dbraw/zinc/97/03/87/630970387.db2.gz JZWJUMZNDRHAMH-UHFFFAOYSA-N 0 0 297.345 2.739 20 10 CFCDRN O=C1NCc2c1cccc2NCc1c(O)cccc1Cl ZINC000808419534 630989504 /nfs/dbraw/zinc/98/95/04/630989504.db2.gz JEIBEIWVBGWTQZ-UHFFFAOYSA-N 0 0 288.734 2.901 20 10 CFCDRN CCOc1ccc(CN[C@@H](C)C(F)(F)F)c(O)c1 ZINC000808436014 630990634 /nfs/dbraw/zinc/99/06/34/630990634.db2.gz HTGUUZMYONCNBX-QMMMGPOBSA-N 0 0 263.259 2.831 20 10 CFCDRN COc1cccc(O)c1CN[C@@H]1CCCC1(F)F ZINC000808429986 630990650 /nfs/dbraw/zinc/99/06/50/630990650.db2.gz AOLOJEOCTXGNGW-GFCCVEGCSA-N 0 0 257.280 2.678 20 10 CFCDRN Nc1ccc(CNC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000837302793 630993066 /nfs/dbraw/zinc/99/30/66/630993066.db2.gz HFHNVRRKALKUAY-UHFFFAOYSA-N 0 0 284.363 2.510 20 10 CFCDRN CC(=O)C(=O)COC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000808484365 631001028 /nfs/dbraw/zinc/00/10/28/631001028.db2.gz BRLGEDCIEOBKDF-TWDRJXRQSA-N 0 0 292.375 2.684 20 10 CFCDRN CCC(=CC(=O)OCC(=O)C(C)=O)c1cccc(Cl)c1 ZINC000808523656 631007246 /nfs/dbraw/zinc/00/72/46/631007246.db2.gz IIDWWWCKLKZKDO-DHZHZOJOSA-N 0 0 294.734 2.835 20 10 CFCDRN CC(C)c1nnc(COC(=O)C2=CC(=O)CS2)s1 ZINC000837514734 631052136 /nfs/dbraw/zinc/05/21/36/631052136.db2.gz PJPQWYZOXFOBKS-UHFFFAOYSA-N 0 0 284.362 2.786 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000840763902 631220433 /nfs/dbraw/zinc/22/04/33/631220433.db2.gz LGGXSGUDZJCXLA-FOGDFJRCSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840851382 631241098 /nfs/dbraw/zinc/24/10/98/631241098.db2.gz JFZLAGBQRPKFKD-PELKAZGASA-N 0 0 250.298 2.750 20 10 CFCDRN COC1([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000840884752 631250646 /nfs/dbraw/zinc/25/06/46/631250646.db2.gz PLLGHAHZOLOVNL-QWRGUYRKSA-N 0 0 294.351 2.909 20 10 CFCDRN COC1([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000840884750 631251210 /nfs/dbraw/zinc/25/12/10/631251210.db2.gz PLLGHAHZOLOVNL-MNOVXSKESA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1[O-] ZINC000840886963 631252413 /nfs/dbraw/zinc/25/24/13/631252413.db2.gz PGSGNXPBHZIVHR-KDDOJWQBSA-N 0 0 289.297 2.731 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc(F)cc(F)c1[O-] ZINC000840895822 631254735 /nfs/dbraw/zinc/25/47/35/631254735.db2.gz XQEKQYBTPIYKGH-UMNHJUIQSA-N 0 0 285.334 2.872 20 10 CFCDRN CCCN(CC(=O)OC)Cc1c(O)cc(C)cc1Cl ZINC000840907345 631258667 /nfs/dbraw/zinc/25/86/67/631258667.db2.gz CXJPRYFTAGKVCU-UHFFFAOYSA-N 0 0 285.771 2.739 20 10 CFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(F)ccc1O ZINC000809696122 631266586 /nfs/dbraw/zinc/26/65/86/631266586.db2.gz CLWSJIFBPLUODX-PELKAZGASA-N 0 0 293.260 2.683 20 10 CFCDRN CCOCCOC1CN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840936321 631269256 /nfs/dbraw/zinc/26/92/56/631269256.db2.gz JIZOZKREQUOAKD-UHFFFAOYSA-N 0 0 299.798 2.591 20 10 CFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000840938190 631271197 /nfs/dbraw/zinc/27/11/97/631271197.db2.gz YTUKDCUXVCDCJZ-HNNXBMFYSA-N 0 0 292.423 2.738 20 10 CFCDRN COC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@@H](C)O1 ZINC000840940411 631271642 /nfs/dbraw/zinc/27/16/42/631271642.db2.gz YRBHYUGIGFMSGC-NEPJUHHUSA-N 0 0 299.798 2.590 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000840939598 631272333 /nfs/dbraw/zinc/27/23/33/631272333.db2.gz ZSFUJHZRSOQAKH-HNNXBMFYSA-N 0 0 281.783 2.965 20 10 CFCDRN Cc1cc(O)c(CN(CC(F)F)C[C@H](C)O)c(Cl)c1 ZINC000840950361 631279212 /nfs/dbraw/zinc/27/92/12/631279212.db2.gz JGMMLTQAYFRNJA-VIFPVBQESA-N 0 0 293.741 2.802 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cncnc1 ZINC000809775858 631287101 /nfs/dbraw/zinc/28/71/01/631287101.db2.gz MDGXKTSJGFTXPC-UHFFFAOYSA-N 0 0 284.146 2.779 20 10 CFCDRN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975952 631291687 /nfs/dbraw/zinc/29/16/87/631291687.db2.gz ATDQTUAROMQRDZ-VHSXEESVSA-N 0 0 287.762 2.778 20 10 CFCDRN CCCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999898 631299234 /nfs/dbraw/zinc/29/92/34/631299234.db2.gz QLVBBIMAKZDNBU-GFCCVEGCSA-N 0 0 291.395 2.682 20 10 CFCDRN Cc1nn(C)c(Cl)c1CNc1ccc(N)cc1 ZINC000841040298 631317973 /nfs/dbraw/zinc/31/79/73/631317973.db2.gz NRAJBAFSBVVBPT-UHFFFAOYSA-N 0 0 250.733 2.576 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CO)C(C)C)c1[O-] ZINC000810075282 631322773 /nfs/dbraw/zinc/32/27/73/631322773.db2.gz JIVLVFXLPPLMBP-HNNXBMFYSA-N 0 0 299.798 2.745 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1conc1C1CC1 ZINC000810411037 631369038 /nfs/dbraw/zinc/36/90/38/631369038.db2.gz HLRNSCPWLWMVPC-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN COCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000841298149 631377217 /nfs/dbraw/zinc/37/72/17/631377217.db2.gz MSVXDYVXHDQBIP-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN Cc1cnc([C@H](C)CNC(=O)Nc2ccc(N)cc2)s1 ZINC000841296811 631377461 /nfs/dbraw/zinc/37/74/61/631377461.db2.gz ZIEAOTKTURQDAN-SECBINFHSA-N 0 0 290.392 2.959 20 10 CFCDRN C[C@](O)(CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841297062 631377483 /nfs/dbraw/zinc/37/74/83/631377483.db2.gz MOSZKACARMPDJU-INIZCTEOSA-N 0 0 291.395 2.722 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000841300286 631377696 /nfs/dbraw/zinc/37/76/96/631377696.db2.gz SWNXZQZVYHVYMJ-SNVBAGLBSA-N 0 0 273.258 2.731 20 10 CFCDRN CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300122 631378159 /nfs/dbraw/zinc/37/81/59/631378159.db2.gz OBVJPQQPHRGWRY-CQSZACIVSA-N 0 0 277.368 2.548 20 10 CFCDRN CC(C)c1cc(CNC(=O)Nc2ccc(N)cc2)on1 ZINC000841299871 631378201 /nfs/dbraw/zinc/37/82/01/631378201.db2.gz JGDTUPLNCWZFRW-UHFFFAOYSA-N 0 0 274.324 2.702 20 10 CFCDRN Nc1ccc(NC(=O)NCCCOC2CCCC2)cc1 ZINC000841301695 631379282 /nfs/dbraw/zinc/37/92/82/631379282.db2.gz VZXCIYVWUWWWRQ-UHFFFAOYSA-N 0 0 277.368 2.740 20 10 CFCDRN COC(=O)c1cnc(SCCOCC2CCC2)s1 ZINC000841671071 631449114 /nfs/dbraw/zinc/44/91/14/631449114.db2.gz QOFAPPAWCNKYQB-UHFFFAOYSA-N 0 0 287.406 2.839 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841709119 631457071 /nfs/dbraw/zinc/45/70/71/631457071.db2.gz CBZKVPQWSXBJJY-DOMZBBRYSA-N 0 0 275.396 2.689 20 10 CFCDRN COC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744699 631462992 /nfs/dbraw/zinc/46/29/92/631462992.db2.gz KBVRCAVFAGDJRJ-VHSXEESVSA-N 0 0 257.761 2.979 20 10 CFCDRN CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841744526 631463297 /nfs/dbraw/zinc/46/32/97/631463297.db2.gz PCDXTRFNRNYISG-JTQLQIEISA-N 0 0 296.798 2.707 20 10 CFCDRN CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748522 631463384 /nfs/dbraw/zinc/46/33/84/631463384.db2.gz AGHSFZLBAHHQAK-ONGXEEELSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747424 631464267 /nfs/dbraw/zinc/46/42/67/631464267.db2.gz AVVQLPMMCSLBTN-AUSHCKSDSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754178 631467205 /nfs/dbraw/zinc/46/72/05/631467205.db2.gz IJEUOMCZXIQMQF-NXEZZACHSA-N 0 0 257.761 2.715 20 10 CFCDRN C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760582 631468891 /nfs/dbraw/zinc/46/88/91/631468891.db2.gz SSZBBLNWVKRACK-ZJUUUORDSA-N 0 0 257.761 2.857 20 10 CFCDRN COc1ccc(C[NH2+]Cc2ccccc2CC(=O)[O-])cc1C ZINC000841795378 631472913 /nfs/dbraw/zinc/47/29/13/631472913.db2.gz QIJQFJFETPQKOY-UHFFFAOYSA-N 0 0 299.370 2.921 20 10 CFCDRN CC(C)C1(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841854629 631481144 /nfs/dbraw/zinc/48/11/44/631481144.db2.gz SPXVMUKDYHADTI-UHFFFAOYSA-N 0 0 275.396 2.547 20 10 CFCDRN Cc1cccc(C)c1CNC(=O)NCCc1ccc(N)cc1 ZINC000841861880 631482752 /nfs/dbraw/zinc/48/27/52/631482752.db2.gz OPYSVAWUKKBQBL-UHFFFAOYSA-N 0 0 297.402 2.928 20 10 CFCDRN C[C@@H]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841889309 631488349 /nfs/dbraw/zinc/48/83/49/631488349.db2.gz BCXGYUXTCPFTMX-OCCSQVGLSA-N 0 0 275.396 2.547 20 10 CFCDRN C[C@H]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841896521 631490400 /nfs/dbraw/zinc/49/04/00/631490400.db2.gz PAOXGTIOOHJJOO-GXTWGEPZSA-N 0 0 275.396 2.547 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCC2CC(F)(F)C2)cc1 ZINC000841915120 631492962 /nfs/dbraw/zinc/49/29/62/631492962.db2.gz MDKOHUDRSYAQNL-UHFFFAOYSA-N 0 0 297.349 2.546 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000841915756 631493618 /nfs/dbraw/zinc/49/36/18/631493618.db2.gz UCDBUXUZIBFRKX-MRXNPFEDSA-N 0 0 287.407 2.689 20 10 CFCDRN Cc1cccc2c1CCN2C(=O)NCCc1ccc(N)cc1 ZINC000841956325 631496311 /nfs/dbraw/zinc/49/63/11/631496311.db2.gz CGJMNENILPBPAY-UHFFFAOYSA-N 0 0 295.386 2.892 20 10 CFCDRN CN(C(=O)NCCc1ccc(N)cc1)C(C1CC1)C1CC1 ZINC000841956854 631496636 /nfs/dbraw/zinc/49/66/36/631496636.db2.gz KPFABZNTORXALV-UHFFFAOYSA-N 0 0 287.407 2.641 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000841959031 631496838 /nfs/dbraw/zinc/49/68/38/631496838.db2.gz JMWXSKJMCMEPHP-CYBMUJFWSA-N 0 0 297.349 2.641 20 10 CFCDRN CCCCN(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841962802 631496947 /nfs/dbraw/zinc/49/69/47/631496947.db2.gz SVOUURRQUSCPCK-UHFFFAOYSA-N 0 0 275.396 2.785 20 10 CFCDRN CCC[C@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841961691 631497596 /nfs/dbraw/zinc/49/75/96/631497596.db2.gz GOBVDPBZRDKXND-LBPRGKRZSA-N 0 0 263.385 2.641 20 10 CFCDRN CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(C)C ZINC000842086347 631532336 /nfs/dbraw/zinc/53/23/36/631532336.db2.gz BTNRZCXUFBZYOM-IYNGYCSASA-N 0 0 294.347 2.715 20 10 CFCDRN CC[C@@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC000842149749 631553424 /nfs/dbraw/zinc/55/34/24/631553424.db2.gz OWSQLYRBPGOHCF-LBPRGKRZSA-N 0 0 253.342 2.565 20 10 CFCDRN CC(C)(C)OC(=O)N1CCCN1Cc1cc(F)ccc1O ZINC000811503106 631572767 /nfs/dbraw/zinc/57/27/67/631572767.db2.gz VLRSITSCNASPQU-UHFFFAOYSA-N 0 0 296.342 2.889 20 10 CFCDRN Cc1nccnc1NCCCSc1nccs1 ZINC000811805991 631623858 /nfs/dbraw/zinc/62/38/58/631623858.db2.gz WUWKRMYKCWBVSR-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@H]1C1CC1 ZINC000812270043 631684492 /nfs/dbraw/zinc/68/44/92/631684492.db2.gz ZJIQWAZXRQDKBL-NSHDSACASA-N 0 0 251.351 2.714 20 10 CFCDRN COc1cccc(CNC(=O)c2ccccc2C(C)=O)c1O ZINC000155448928 650021560 /nfs/dbraw/zinc/02/15/60/650021560.db2.gz ZIKJUZXGEXXCRX-UHFFFAOYSA-N 0 0 299.326 2.533 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000812357679 631695101 /nfs/dbraw/zinc/69/51/01/631695101.db2.gz RVAXZNVXGXTIGL-AAEUAGOBSA-N 0 0 293.388 2.627 20 10 CFCDRN Cn1ncc(COc2ccc3c(c2)c2c(n3C)CCCC2)n1 ZINC000842661403 631695421 /nfs/dbraw/zinc/69/54/21/631695421.db2.gz HWQBMRNKTKOFJI-UHFFFAOYSA-N 0 0 296.374 2.765 20 10 CFCDRN Cc1cc(O)c(CNc2ccc3c(c2)nnn3C)cc1C ZINC000842741570 631724643 /nfs/dbraw/zinc/72/46/43/631724643.db2.gz HJMPPLUHPVKVSB-UHFFFAOYSA-N 0 0 282.347 2.903 20 10 CFCDRN COc1ccc(CNC(=O)CCCC2CC2)c(O)c1 ZINC000812561782 631734134 /nfs/dbraw/zinc/73/41/34/631734134.db2.gz XCNUYIAWBPIGHK-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN O=C(Nc1cc2c(cn1)CCCC2)c1cccc(O)c1O ZINC000812735612 631765162 /nfs/dbraw/zinc/76/51/62/631765162.db2.gz DMLOFGUEYMOKHM-UHFFFAOYSA-N 0 0 284.315 2.624 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927416 631784352 /nfs/dbraw/zinc/78/43/52/631784352.db2.gz DMOSEYPZHLWIPW-HOTUBEGUSA-N 0 0 282.365 2.845 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000843037690 631808458 /nfs/dbraw/zinc/80/84/58/631808458.db2.gz AWFYBUCPBCCAIG-HNNXBMFYSA-N 0 0 276.380 2.630 20 10 CFCDRN Nc1ccc(NC(=O)NCC2CCC(F)CC2)cc1 ZINC000843043417 631810460 /nfs/dbraw/zinc/81/04/60/631810460.db2.gz RLDQFMSGNOZLHO-UHFFFAOYSA-N 0 0 265.332 2.919 20 10 CFCDRN C[C@@H]([NH3+])[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000843045930 631813921 /nfs/dbraw/zinc/81/39/21/631813921.db2.gz MDEZKEJYIMVHRH-BXKDBHETSA-N 0 0 286.778 2.886 20 10 CFCDRN C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1C[NH3+] ZINC000843052513 631816022 /nfs/dbraw/zinc/81/60/22/631816022.db2.gz VFGSJDPDDVUWPL-ZANVPECISA-N 0 0 286.778 2.744 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc3ccccc3[nH]2)c1 ZINC000155964562 650038637 /nfs/dbraw/zinc/03/86/37/650038637.db2.gz KWLHFTXAKDMYSA-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN C[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158732 631870105 /nfs/dbraw/zinc/87/01/05/631870105.db2.gz INGJRPRJIPQEKX-ZYHUDNBSSA-N 0 0 273.336 2.525 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159951 631871039 /nfs/dbraw/zinc/87/10/39/631871039.db2.gz DHTJSFQCMZQJCB-GPCCPHFNSA-N 0 0 273.336 2.729 20 10 CFCDRN CC[C@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159447 631871291 /nfs/dbraw/zinc/87/12/91/631871291.db2.gz PMOUQODGGBGSGY-STQMWFEESA-N 0 0 273.336 2.873 20 10 CFCDRN CC(C)OCCCc1noc(Cc2ccc(N)cc2)n1 ZINC000843190897 631892933 /nfs/dbraw/zinc/89/29/33/631892933.db2.gz VLILCLJUDVIWSG-UHFFFAOYSA-N 0 0 275.352 2.600 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813333577 631906161 /nfs/dbraw/zinc/90/61/61/631906161.db2.gz OFQTVENFIJRNNE-CYBMUJFWSA-N 0 0 285.771 2.678 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc(N)cc2)CCc2ccccc21 ZINC000843257593 631912083 /nfs/dbraw/zinc/91/20/83/631912083.db2.gz ROQTUFXOALYFIS-GOSISDBHSA-N 0 0 280.371 2.789 20 10 CFCDRN CN1CCN(Cc2ccccc2O)c2ccccc21 ZINC000156025195 650040714 /nfs/dbraw/zinc/04/07/14/650040714.db2.gz QPTSCKNLVJACME-UHFFFAOYSA-N 0 0 254.333 2.849 20 10 CFCDRN Cc1cc(O)c(CNCc2ccno2)c(Cl)c1 ZINC000843402393 631945499 /nfs/dbraw/zinc/94/54/99/631945499.db2.gz GUAKEEYNVNRTPS-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN Cc1cccc(CN2CCc3cc(Cl)nnc3C2)c1O ZINC000843418571 631949506 /nfs/dbraw/zinc/94/95/06/631949506.db2.gz NUAKJGSDMPKIGG-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1cccc(C)c1O ZINC000843423836 631953283 /nfs/dbraw/zinc/95/32/83/631953283.db2.gz RTIHVFOYNQCBCB-CYBMUJFWSA-N 0 0 279.380 2.768 20 10 CFCDRN CC[C@@H](C)CONC(=O)N(C)Cc1ccccc1O ZINC000813830277 631964269 /nfs/dbraw/zinc/96/42/69/631964269.db2.gz UALZRMBWEJFFJC-LLVKDONJSA-N 0 0 266.341 2.511 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(F)F)CC1 ZINC000843559460 631986877 /nfs/dbraw/zinc/98/68/77/631986877.db2.gz VPRXQSQLJZTXQZ-UHFFFAOYSA-N 0 0 296.317 2.523 20 10 CFCDRN C[C@H](NC(=O)C1(C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000843579305 631994550 /nfs/dbraw/zinc/99/45/50/631994550.db2.gz AIADNIUXOFXOSW-JTQLQIEISA-N 0 0 282.334 2.975 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(C(F)F)CC1 ZINC000843765057 632051903 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/nfs/dbraw/zinc/17/79/68/632177968.db2.gz ANXLPMYEZQDNKC-UHFFFAOYSA-N 0 0 269.410 2.901 20 10 CFCDRN CCS(=O)(=O)CCCCCN(C)c1ccc(OC)cc1 ZINC000844353008 632178043 /nfs/dbraw/zinc/17/80/43/632178043.db2.gz NRFYIKZTHMSVCA-UHFFFAOYSA-N 0 0 299.436 2.736 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C3CC3)o2)cc1 ZINC000844353746 632178050 /nfs/dbraw/zinc/17/80/50/632178050.db2.gz YUZHOXWJYQVCNZ-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN COC1(CCOC(=O)/C=C\c2ccc(O)c(O)c2)CCC1 ZINC000815222108 632232627 /nfs/dbraw/zinc/23/26/27/632232627.db2.gz MMROKOFUGZTWRT-XQRVVYSFSA-N 0 0 292.331 2.613 20 10 CFCDRN CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552737 632288240 /nfs/dbraw/zinc/28/82/40/632288240.db2.gz JGEUGMIEEHTESW-DTWKUNHWSA-N 0 0 277.286 2.833 20 10 CFCDRN COc1cc(C)cc(CN2CCCC(F)(F)C2)c1O ZINC000844716970 632288662 /nfs/dbraw/zinc/28/86/62/632288662.db2.gz WJTARMHSVNERDW-UHFFFAOYSA-N 0 0 271.307 2.940 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC000844825380 632318004 /nfs/dbraw/zinc/31/80/04/632318004.db2.gz JXQHQJAEUMQOEK-QPJJXVBHSA-N 0 0 299.349 2.897 20 10 CFCDRN CCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844853976 632323189 /nfs/dbraw/zinc/32/31/89/632323189.db2.gz IJTNWSSRPIPKQC-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844856220 632323675 /nfs/dbraw/zinc/32/36/75/632323675.db2.gz GPCMHGDAUJEKFL-CZUORRHYSA-N 0 0 290.407 2.636 20 10 CFCDRN C/C=C(\CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844856831 632324013 /nfs/dbraw/zinc/32/40/13/632324013.db2.gz VMNCIAFCTOAURY-MKMNVTDBSA-N 0 0 290.407 2.946 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](F)C2)cc1F ZINC000844935675 632342114 /nfs/dbraw/zinc/34/21/14/632342114.db2.gz UMZDHABYHHVSLV-GFCCVEGCSA-N 0 0 297.349 2.535 20 10 CFCDRN NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816498176 632471666 /nfs/dbraw/zinc/47/16/66/632471666.db2.gz JSIRFTHGRBUWRC-HNNXBMFYSA-N 0 0 298.386 2.775 20 10 CFCDRN COC(=O)CN(Cc1ccc2ccccc2c1O)C1CC1 ZINC000816520410 632477949 /nfs/dbraw/zinc/47/79/49/632477949.db2.gz OHQQPFWMNSFRDP-UHFFFAOYSA-N 0 0 285.343 2.683 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549294 632481753 /nfs/dbraw/zinc/48/17/53/632481753.db2.gz JNJBZVKCFWRPLM-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000816549152 632481766 /nfs/dbraw/zinc/48/17/66/632481766.db2.gz GFJZOPQTUBLXOA-LBPRGKRZSA-N 0 0 298.789 2.759 20 10 CFCDRN CC1(O)CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816554548 632482497 /nfs/dbraw/zinc/48/24/97/632482497.db2.gz BIOJAYHEDOUHHR-UHFFFAOYSA-N 0 0 287.762 2.968 20 10 CFCDRN COC(=O)CC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816563297 632485120 /nfs/dbraw/zinc/48/51/20/632485120.db2.gz SDLHKBWCVINDPK-UHFFFAOYSA-N 0 0 289.734 2.616 20 10 CFCDRN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1O ZINC000816586194 632490009 /nfs/dbraw/zinc/49/00/09/632490009.db2.gz CFVICAXQSCAMJH-ZDUSSCGKSA-N 0 0 287.762 2.778 20 10 CFCDRN OCc1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC000816598464 632491904 /nfs/dbraw/zinc/49/19/04/632491904.db2.gz CZPFZGLQKUCSSS-UHFFFAOYSA-N 0 0 282.702 2.684 20 10 CFCDRN CCOc1ccc(CN2C[C@@H](CO)c3ccccc32)c(O)c1 ZINC000816636648 632498317 /nfs/dbraw/zinc/49/83/17/632498317.db2.gz DAAIEMIITMHXIP-AWEZNQCLSA-N 0 0 299.370 2.887 20 10 CFCDRN C=C=CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000816698969 632513039 /nfs/dbraw/zinc/51/30/39/632513039.db2.gz SPRHJQBEIHETJD-UHFFFAOYSA-N 0 0 298.386 2.975 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/OCC ZINC000816914296 632534470 /nfs/dbraw/zinc/53/44/70/632534470.db2.gz LTSGXIWZBCCKIV-PKNBQFBNSA-N 0 0 263.337 2.681 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845930159 632599316 /nfs/dbraw/zinc/59/93/16/632599316.db2.gz IVULVDKYJFGEBX-DDTOSNHZSA-N 0 0 289.375 2.581 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000845999275 632611216 /nfs/dbraw/zinc/61/12/16/632611216.db2.gz VVCLQQVRFXVNNO-UHFFFAOYSA-N 0 0 298.390 2.722 20 10 CFCDRN CN1CCC[C@H]1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000817417111 632627280 /nfs/dbraw/zinc/62/72/80/632627280.db2.gz DABIGHGAWVBCBK-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN C[C@@H](NC(=O)[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000817445847 632637619 /nfs/dbraw/zinc/63/76/19/632637619.db2.gz QJSIBIKQGJWSFU-QMTHXVAHSA-N 0 0 282.334 2.975 20 10 CFCDRN COc1cccc([C@H](C)Nc2c(C)nn(C)c2C)c1O ZINC000846160443 632649604 /nfs/dbraw/zinc/64/96/04/632649604.db2.gz TZBPZCIHZIAZNE-VIFPVBQESA-N 0 0 275.352 2.924 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817515971 632655147 /nfs/dbraw/zinc/65/51/47/632655147.db2.gz RMWSUQRSRBBYDI-AWEZNQCLSA-N 0 0 258.365 2.511 20 10 CFCDRN CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(Cl)c1[O-] ZINC000846193536 632658818 /nfs/dbraw/zinc/65/88/18/632658818.db2.gz NHGQFOOGJKKLBI-ZFWWWQNUSA-N 0 0 299.798 2.628 20 10 CFCDRN C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F ZINC000817548866 632660552 /nfs/dbraw/zinc/66/05/52/632660552.db2.gz FCXXVNGONWUWOG-OAHLLOKOSA-N 0 0 295.329 2.933 20 10 CFCDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817585201 632671236 /nfs/dbraw/zinc/67/12/36/632671236.db2.gz CHRHJGBVVIISAY-NSHDSACASA-N 0 0 294.351 2.646 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])ccc1N(C)C ZINC000846274521 632681503 /nfs/dbraw/zinc/68/15/03/632681503.db2.gz LWENTUHCSQRWOD-CQSZACIVSA-N 0 0 276.380 2.500 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846281399 632683980 /nfs/dbraw/zinc/68/39/80/632683980.db2.gz XKHCAFCYRUZGFH-WBMJQRKESA-N 0 0 290.407 2.746 20 10 CFCDRN C[C@@]1(CCNC(=O)c2cccc(O)c2O)C[C@@]1(F)Cl ZINC000846413023 632706682 /nfs/dbraw/zinc/70/66/82/632706682.db2.gz SFUIBNSXRSLAHD-OLZOCXBDSA-N 0 0 287.718 2.532 20 10 CFCDRN C[C@]1(CCNC(=O)c2cccc(O)c2O)C[C@]1(F)Cl ZINC000846413024 632706875 /nfs/dbraw/zinc/70/68/75/632706875.db2.gz SFUIBNSXRSLAHD-QWHCGFSZSA-N 0 0 287.718 2.532 20 10 CFCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)nn1C(C)C ZINC000817770697 632710083 /nfs/dbraw/zinc/71/00/83/632710083.db2.gz HBHTVCLXINJAOF-UHFFFAOYSA-N 0 0 265.338 2.792 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(C2CC2)on1 ZINC000846474090 632715680 /nfs/dbraw/zinc/71/56/80/632715680.db2.gz YUYPGINKDYTJKL-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN CC(C)CO[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472394 632715698 /nfs/dbraw/zinc/71/56/98/632715698.db2.gz JIILMHLYEGBFOM-SNVBAGLBSA-N 0 0 285.771 2.723 20 10 CFCDRN CSC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846472608 632715751 /nfs/dbraw/zinc/71/57/51/632715751.db2.gz BRGWXESDQOTGMP-UHFFFAOYSA-N 0 0 285.796 2.948 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1CCSCC1 ZINC000846475287 632716603 /nfs/dbraw/zinc/71/66/03/632716603.db2.gz FKBZTLXETYAXIG-UHFFFAOYSA-N 0 0 285.796 2.805 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881440 632717361 /nfs/dbraw/zinc/71/73/61/632717361.db2.gz SJWABOVLZAWCPN-MWLCHTKSSA-N 0 0 283.755 2.731 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)N3CCCC3)cs2)cc1 ZINC000817903296 632727041 /nfs/dbraw/zinc/72/70/41/632727041.db2.gz MFSUBAJNMRVHDK-UHFFFAOYSA-N 0 0 287.388 2.552 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c(O)c1O ZINC000846579886 632749710 /nfs/dbraw/zinc/74/97/10/632749710.db2.gz XZNWNJUEIDQQTA-AWEZNQCLSA-N 0 0 297.301 2.668 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817959092 632757166 /nfs/dbraw/zinc/75/71/66/632757166.db2.gz BYNVXGNKZKGVEP-PELKAZGASA-N 0 0 288.313 2.799 20 10 CFCDRN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959511 632757779 /nfs/dbraw/zinc/75/77/79/632757779.db2.gz SFBFSCBDKNUJPY-GXSJLCMTSA-N 0 0 272.339 2.694 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1cccc(Cl)c1[O-] ZINC000817960088 632758319 /nfs/dbraw/zinc/75/83/19/632758319.db2.gz KKMXYUWTJJXHSG-STQMWFEESA-N 0 0 268.788 2.824 20 10 CFCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)cn2ccnc12 ZINC000818058042 632793285 /nfs/dbraw/zinc/79/32/85/632793285.db2.gz ZLIQWMRPJYRGAC-UHFFFAOYSA-N 0 0 297.314 2.615 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000840353683 632804263 /nfs/dbraw/zinc/80/42/63/632804263.db2.gz FCYKZLPOXAYDBO-FZMZJTMJSA-N 0 0 275.396 2.911 20 10 CFCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000818544783 632863286 /nfs/dbraw/zinc/86/32/86/632863286.db2.gz NROROMLCYMXFNT-GFCCVEGCSA-N 0 0 260.381 2.754 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)NCCc1ccc(N)cc1 ZINC000818546342 632863542 /nfs/dbraw/zinc/86/35/42/632863542.db2.gz POZFIXZRGVJGBS-UHFFFAOYSA-N 0 0 287.363 2.661 20 10 CFCDRN CCOc1ccc(C[NH2+]CC(CC)(CC)C(=O)[O-])c(O)c1 ZINC000818631259 632884398 /nfs/dbraw/zinc/88/43/98/632884398.db2.gz DMSQITDSVUQYNQ-UHFFFAOYSA-N 0 0 295.379 2.772 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2(C)CC=CC2)cc1F ZINC000847303307 632970117 /nfs/dbraw/zinc/97/01/17/632970117.db2.gz SEMHREPGKVCUDA-UHFFFAOYSA-N 0 0 291.370 2.800 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000819398342 633147425 /nfs/dbraw/zinc/14/74/25/633147425.db2.gz LEVKDXAHXMCXSV-FZMZJTMJSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639756 633305571 /nfs/dbraw/zinc/30/55/71/633305571.db2.gz LAGDJBUOVIUHCI-JIMOISOXSA-N 0 0 295.354 2.756 20 10 CFCDRN COc1c(C)ncnc1NCc1ccc(N(C)C)cc1C ZINC000848665902 633313154 /nfs/dbraw/zinc/31/31/54/633313154.db2.gz PPSNSDSDGQUCQO-UHFFFAOYSA-N 0 0 286.379 2.780 20 10 CFCDRN C/C=C(\C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585157 633394679 /nfs/dbraw/zinc/39/46/79/633394679.db2.gz XCCAGNKCKNHVHF-HIICFIELSA-N 0 0 288.391 2.604 20 10 CFCDRN CC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582068 633395044 /nfs/dbraw/zinc/39/50/44/633395044.db2.gz DCZULUZUFGGQGB-KGLIPLIRSA-N 0 0 290.407 2.684 20 10 CFCDRN CC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582070 633395696 /nfs/dbraw/zinc/39/56/96/633395696.db2.gz DCZULUZUFGGQGB-UONOGXRCSA-N 0 0 290.407 2.684 20 10 CFCDRN CCc1cccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000848919292 633401628 /nfs/dbraw/zinc/40/16/28/633401628.db2.gz JGPPJSLLDPGNHH-MRXNPFEDSA-N 0 0 293.432 2.663 20 10 CFCDRN Cc1ccc(O)c(CN[C@@H](C)C(=O)OCc2ccccc2)c1 ZINC000848920509 633403139 /nfs/dbraw/zinc/40/31/39/633403139.db2.gz HTXFXUZLOUTFOJ-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN COCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000848924226 633407586 /nfs/dbraw/zinc/40/75/86/633407586.db2.gz XWNQOOLCNJXSMV-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2cc(Cl)ccc2O)n1 ZINC000848925543 633408708 /nfs/dbraw/zinc/40/87/08/633408708.db2.gz HAFFBVAEFWBKRG-MRVPVSSYSA-N 0 0 281.743 2.930 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC3(CCCC3)C(=O)N2C)cc1Cl ZINC000849182012 633580304 /nfs/dbraw/zinc/58/03/04/633580304.db2.gz BQFCVVWLZSKQAR-CYBMUJFWSA-N 0 0 294.782 2.727 20 10 CFCDRN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000849231712 633586926 /nfs/dbraw/zinc/58/69/26/633586926.db2.gz FTXZOHUBMHWCRB-SHTZXODSSA-N 0 0 288.391 2.630 20 10 CFCDRN Cn1c(NCc2c(O)ccc(Cl)c2F)nnc1C1CC1 ZINC000849347252 633624799 /nfs/dbraw/zinc/62/47/99/633624799.db2.gz YYZAHNCDTUVBEB-UHFFFAOYSA-N 0 0 296.733 2.803 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)NCC1CCC1 ZINC000849999393 633786473 /nfs/dbraw/zinc/78/64/73/633786473.db2.gz QMIAMPWRATVBMN-UHFFFAOYSA-N 0 0 276.814 2.805 20 10 CFCDRN CS(=O)(=O)CC1(CSc2ncc(Cl)s2)CC1 ZINC000850000257 633786707 /nfs/dbraw/zinc/78/67/07/633786707.db2.gz OCHWPHBFZHMQIE-UHFFFAOYSA-N 0 0 297.854 2.713 20 10 CFCDRN C[C@@H](CSc1ncc(Cl)s1)CS(C)(=O)=O ZINC000850000148 633786988 /nfs/dbraw/zinc/78/69/88/633786988.db2.gz KYPLNPKQQRJBJO-LURJTMIESA-N 0 0 285.843 2.569 20 10 CFCDRN CO[C@@H](CSc1ncc(Cl)s1)[C@@H]1CCOC1 ZINC000850002064 633787874 /nfs/dbraw/zinc/78/78/74/633787874.db2.gz RAZBKMPGMSNJGS-SFYZADRCSA-N 0 0 279.814 2.940 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850351399 633950487 /nfs/dbraw/zinc/95/04/87/633950487.db2.gz AZSIOYPCGDTGEJ-XJKSGUPXSA-N 0 0 299.422 2.920 20 10 CFCDRN CSCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850356006 633952539 /nfs/dbraw/zinc/95/25/39/633952539.db2.gz NTZJWOIAGCTDLI-UHFFFAOYSA-N 0 0 296.392 2.923 20 10 CFCDRN CCCN1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850394754 633975402 /nfs/dbraw/zinc/97/54/02/633975402.db2.gz BSQZPFXUNVTOGC-SNVBAGLBSA-N 0 0 286.778 2.759 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(F)cc1[O-] ZINC000850490204 634015957 /nfs/dbraw/zinc/01/59/57/634015957.db2.gz WXWRXPRFMALSHJ-UONOGXRCSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(F)cc1[O-] ZINC000850490203 634015973 /nfs/dbraw/zinc/01/59/73/634015973.db2.gz WXWRXPRFMALSHJ-KGLIPLIRSA-N 0 0 267.344 2.733 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000850492787 634016984 /nfs/dbraw/zinc/01/69/84/634016984.db2.gz DKBVKLPQRUKFOJ-XHDPSFHLSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H]([NH2+]C/C=C\CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506663 634022722 /nfs/dbraw/zinc/02/27/22/634022722.db2.gz BSVDEECWWNTZMS-KZUAUGPASA-N 0 0 276.163 2.898 20 10 CFCDRN CC[C@@H]([NH2+]C/C=C/CO)c1cccc(Cl)c1[O-] ZINC000850510343 634023856 /nfs/dbraw/zinc/02/38/56/634023856.db2.gz XOMLTOJZTABUFU-AAOUONPWSA-N 0 0 255.745 2.635 20 10 CFCDRN CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000850520340 634028523 /nfs/dbraw/zinc/02/85/23/634028523.db2.gz ADGJUBPGUNQJJE-YPMHNXCESA-N 0 0 289.297 2.996 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccoc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850530845 634037309 /nfs/dbraw/zinc/03/73/09/634037309.db2.gz FBIHUOWENZAZMB-SNVBAGLBSA-N 0 0 276.292 2.787 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccoc2)c1 ZINC000850531039 634037628 /nfs/dbraw/zinc/03/76/28/634037628.db2.gz GNJDFMKMMXTBEF-LLVKDONJSA-N 0 0 289.331 2.665 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850533864 634040293 /nfs/dbraw/zinc/04/02/93/634040293.db2.gz CRPDQOMQEGRELO-NTZNESFSSA-N 0 0 294.351 2.909 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545273 634046591 /nfs/dbraw/zinc/04/65/91/634046591.db2.gz NZBDZWNSADTAHU-IUODEOHRSA-N 0 0 281.371 2.981 20 10 CFCDRN C[C@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(F)F ZINC000850751036 634078535 /nfs/dbraw/zinc/07/85/35/634078535.db2.gz SSHIFOVZJSEETR-LBPRGKRZSA-N 0 0 269.295 2.826 20 10 CFCDRN CN(Cc1nc(-c2ccco2)no1)Cc1ccccc1O ZINC000109772312 634234617 /nfs/dbraw/zinc/23/46/17/634234617.db2.gz RNTYIEVMDLAQOS-UHFFFAOYSA-N 0 0 285.303 2.667 20 10 CFCDRN Cc1cc(C)cc(CC(=O)NCCc2ccc(N)cc2)c1 ZINC000852797420 634838589 /nfs/dbraw/zinc/83/85/89/634838589.db2.gz RVSZQCKDUJUOBJ-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN Cc1cccc(NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000111235174 634962407 /nfs/dbraw/zinc/96/24/07/634962407.db2.gz WZSRQKSFUKPEJD-UHFFFAOYSA-N 0 0 284.359 2.771 20 10 CFCDRN C[C@@H](Nc1cc(CO)c(F)cn1)c1ccc(N(C)C)cc1 ZINC000853484412 635013070 /nfs/dbraw/zinc/01/30/70/635013070.db2.gz IRVKGSAFLXKFSO-LLVKDONJSA-N 0 0 289.354 2.952 20 10 CFCDRN C[C@H](Nc1cc(F)ncn1)c1ccc(N(C)C)cc1 ZINC000853484319 635013089 /nfs/dbraw/zinc/01/30/89/635013089.db2.gz GABOUUUAWHHPEB-JTQLQIEISA-N 0 0 260.316 2.855 20 10 CFCDRN CCOC(=O)c1cnc(SCCC(C)(C)O)s1 ZINC000853714979 635082478 /nfs/dbraw/zinc/08/24/78/635082478.db2.gz FJYTTYIYXXKYTK-UHFFFAOYSA-N 0 0 275.395 2.573 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ncc(C)c(C)n3)C2)cc1 ZINC000853758787 635096782 /nfs/dbraw/zinc/09/67/82/635096782.db2.gz KMYCARAJPSOOEJ-CQSZACIVSA-N 0 0 298.390 2.793 20 10 CFCDRN C[C@H](Cc1nc(Cc2ccc(N)cc2)no1)[C@H]1CCCO1 ZINC000854133568 635222082 /nfs/dbraw/zinc/22/20/82/635222082.db2.gz GCMSBWKVPHUGCJ-BXUZGUMPSA-N 0 0 287.363 2.600 20 10 CFCDRN CO[C@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000854135341 635222772 /nfs/dbraw/zinc/22/27/72/635222772.db2.gz ZYQVSMXLAZSGCE-AAEUAGOBSA-N 0 0 273.336 2.525 20 10 CFCDRN Cc1cccc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1O ZINC000854240688 635269594 /nfs/dbraw/zinc/26/95/94/635269594.db2.gz CTNMTZZDJUPBON-UHFFFAOYSA-N 0 0 277.364 2.777 20 10 CFCDRN COc1ccc(O)c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000854244155 635270629 /nfs/dbraw/zinc/27/06/29/635270629.db2.gz SAHRAXUOLDJNNM-LBPRGKRZSA-N 0 0 295.379 2.627 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1nccnc1C ZINC000854374070 635296945 /nfs/dbraw/zinc/29/69/45/635296945.db2.gz ONCRZAZQDQBAEI-UHFFFAOYSA-N 0 0 299.374 2.933 20 10 CFCDRN C[C@H]1CCC[C@H](OCC(=O)N(C)Cc2ccccc2O)C1 ZINC000112724695 635411719 /nfs/dbraw/zinc/41/17/19/635411719.db2.gz FETIPSJWHYPLJA-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCn1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC000855023275 635444117 /nfs/dbraw/zinc/44/41/17/635444117.db2.gz WYGYONIVGUPFTR-UHFFFAOYSA-N 0 0 293.754 2.582 20 10 CFCDRN CC[C@@H](C)N(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855146651 635468881 /nfs/dbraw/zinc/46/88/81/635468881.db2.gz YQKFPVGDHVIWPE-MXMFLMJRSA-N 0 0 263.337 2.758 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(O)c1O ZINC000855566856 635585022 /nfs/dbraw/zinc/58/50/22/635585022.db2.gz WXMVZFCAQGCUBJ-XHDPSFHLSA-N 0 0 297.354 2.864 20 10 CFCDRN COc1ccccc1[C@@H]1C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000855944964 635695497 /nfs/dbraw/zinc/69/54/97/635695497.db2.gz YHUSEDOGCUVZAY-NWDGAFQWSA-N 0 0 289.356 2.748 20 10 CFCDRN Cc1ccc(C(=O)NCCCSc2nccs2)n1C ZINC000114139753 635787368 /nfs/dbraw/zinc/78/73/68/635787368.db2.gz GOFSMNKEAOTUDN-UHFFFAOYSA-N 0 0 295.433 2.702 20 10 CFCDRN COc1cccc(CNC(=O)Nc2ccsc2)c1O ZINC000157234216 650214911 /nfs/dbraw/zinc/21/49/11/650214911.db2.gz CQFJOJYSEXLBGC-UHFFFAOYSA-N 0 0 278.333 2.784 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H](O)COCC(C)C)cc1 ZINC000157307954 650215723 /nfs/dbraw/zinc/21/57/23/650215723.db2.gz NNGRIFPDZUVGFN-OAHLLOKOSA-N 0 0 281.396 2.555 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC2CC1(c1ccccc1)C2 ZINC000856441548 635810859 /nfs/dbraw/zinc/81/08/59/635810859.db2.gz CFAGWYIYMMJFHW-UHFFFAOYSA-N 0 0 295.338 2.859 20 10 CFCDRN CN(C[C@H]1CC1(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856458249 635815756 /nfs/dbraw/zinc/81/57/56/635815756.db2.gz IIRYWLYOWGKTNT-SMYYYNMVSA-N 0 0 275.348 2.616 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000114540503 635837132 /nfs/dbraw/zinc/83/71/32/635837132.db2.gz ALPOYDYBJODOCX-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(F)cc(F)c2)c1 ZINC000114541773 635837497 /nfs/dbraw/zinc/83/74/97/635837497.db2.gz ODWQXTNFMUBFSM-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2cccc(C)c2)c1 ZINC000114543134 635838135 /nfs/dbraw/zinc/83/81/35/635838135.db2.gz YDACEKWGBBFUMW-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000114582374 635848312 /nfs/dbraw/zinc/84/83/12/635848312.db2.gz MOIVWSYOBXEJOW-RISCZKNCSA-N 0 0 292.379 2.779 20 10 CFCDRN CCCCCCNC(=O)NCc1cc(OC)ccc1O ZINC000114581960 635848320 /nfs/dbraw/zinc/84/83/20/635848320.db2.gz KYAVEZQADJKAAN-UHFFFAOYSA-N 0 0 280.368 2.780 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000114582377 635848499 /nfs/dbraw/zinc/84/84/99/635848499.db2.gz MOIVWSYOBXEJOW-BXUZGUMPSA-N 0 0 292.379 2.779 20 10 CFCDRN CCC[C@H](CC)NC(=O)NCc1cc(OC)ccc1O ZINC000114592621 635848833 /nfs/dbraw/zinc/84/88/33/635848833.db2.gz HJLAHZVZYJYTER-LBPRGKRZSA-N 0 0 280.368 2.779 20 10 CFCDRN Cc1cccc(CNc2ccc(-n3nccn3)cc2)c1O ZINC000158061172 650221237 /nfs/dbraw/zinc/22/12/37/650221237.db2.gz HBHBVZNWGQSCCV-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN Cn1cc(/C=C2/c3cccc4c3N(CCC4)C2=O)c(Cl)n1 ZINC000857203179 635945561 /nfs/dbraw/zinc/94/55/61/635945561.db2.gz YXIZPUSCMISJBJ-JYRVWZFOSA-N 0 0 299.761 2.907 20 10 CFCDRN O=C(NCC[C@@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000857376841 635970105 /nfs/dbraw/zinc/97/01/05/635970105.db2.gz JZXGWWYMTDSYDE-ZCFIWIBFSA-N 0 0 280.176 2.767 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc(C(F)(F)F)n1 ZINC000857472473 635979067 /nfs/dbraw/zinc/97/90/67/635979067.db2.gz VEAOWZDDMSJBMG-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1c(O)cccc1F ZINC000857548404 635983441 /nfs/dbraw/zinc/98/34/41/635983441.db2.gz LVMBSOLSDUQAEI-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN Cc1csc(NC(=O)CSc2nccs2)n1 ZINC000047240416 650227729 /nfs/dbraw/zinc/22/77/29/650227729.db2.gz USGKFSDVRMNQES-UHFFFAOYSA-N 0 0 271.392 2.639 20 10 CFCDRN c1[nH]nc2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000857875311 636044550 /nfs/dbraw/zinc/04/45/50/636044550.db2.gz JSKKPKXIHXZAIS-UHFFFAOYSA-N 0 0 296.418 2.958 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccccn2)c1 ZINC000858124855 636134405 /nfs/dbraw/zinc/13/44/05/636134405.db2.gz RFIQYAQSSIIZBF-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccn(C)n1 ZINC000858176779 636148480 /nfs/dbraw/zinc/14/84/80/636148480.db2.gz AMLROPCZMUYWDR-JTQLQIEISA-N 0 0 294.349 2.615 20 10 CFCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1csnn1 ZINC000858178501 636148510 /nfs/dbraw/zinc/14/85/10/636148510.db2.gz NOWUNTAJHJTWPE-QMMMGPOBSA-N 0 0 298.362 2.733 20 10 CFCDRN CCO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858199504 636154298 /nfs/dbraw/zinc/15/42/98/636154298.db2.gz KVHZLZWKDVZHTO-INIZCTEOSA-N 0 0 290.407 2.526 20 10 CFCDRN CCOc1cccc(CNc2cnn(CCF)c2)c1O ZINC000858245818 636162833 /nfs/dbraw/zinc/16/28/33/636162833.db2.gz OSFWSGDGDCJRAM-UHFFFAOYSA-N 0 0 279.315 2.569 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1F ZINC000158868137 650238900 /nfs/dbraw/zinc/23/89/00/650238900.db2.gz LUUGMXAUVKNWHZ-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN Fc1nccnc1NCCCSc1nccs1 ZINC000858408082 636223997 /nfs/dbraw/zinc/22/39/97/636223997.db2.gz KQAYYFSCVHWTPZ-UHFFFAOYSA-N 0 0 270.358 2.667 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCC2(C)C)c1 ZINC000858458016 636249950 /nfs/dbraw/zinc/24/99/50/636249950.db2.gz WJTOSGWDAQLSNQ-ZDUSSCGKSA-N 0 0 262.353 2.688 20 10 CFCDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)cnc1OC ZINC000858482652 636266659 /nfs/dbraw/zinc/26/66/59/636266659.db2.gz RQUPXIMWRIRIHA-GFCCVEGCSA-N 0 0 286.331 2.904 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc2ccccn12 ZINC000158969962 650243644 /nfs/dbraw/zinc/24/36/44/650243644.db2.gz PLIHBOWFTMZALP-UHFFFAOYSA-N 0 0 279.343 2.906 20 10 CFCDRN Cc1ncccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858518537 636280453 /nfs/dbraw/zinc/28/04/53/636280453.db2.gz IZOBCWLBSYGDGQ-NSHDSACASA-N 0 0 287.319 2.855 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]1 ZINC000159000215 650244276 /nfs/dbraw/zinc/24/42/76/650244276.db2.gz SOAKNBWWIGJZDO-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(C)c(C)n2)c1 ZINC000858534061 636284641 /nfs/dbraw/zinc/28/46/41/636284641.db2.gz ZEJWGFOJOASMRZ-UHFFFAOYSA-N 0 0 299.374 2.712 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(F)cc1[O-] ZINC000858592914 636303266 /nfs/dbraw/zinc/30/32/66/636303266.db2.gz OAOUBHZDGDIUNL-SUHUHFCYSA-N 0 0 267.344 2.997 20 10 CFCDRN COCCN(C[C@H]1C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000859195943 636498885 /nfs/dbraw/zinc/49/88/85/636498885.db2.gz FSOGLFLQNFAZRN-QWHCGFSZSA-N 0 0 279.380 2.813 20 10 CFCDRN COc1cc(C(=O)N(C)Cc2ccccc2O)ccc1F ZINC000159640108 650270285 /nfs/dbraw/zinc/27/02/85/650270285.db2.gz LHVLPSLJLAVHBW-UHFFFAOYSA-N 0 0 289.306 2.812 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)c(C)c1 ZINC000048657981 650275075 /nfs/dbraw/zinc/27/50/75/650275075.db2.gz BWJKYNUILWWZQL-VURMDHGXSA-N 0 0 269.348 2.713 20 10 CFCDRN CN1CCCc2cc(C=C3SC(=S)NC3=O)ccc21 ZINC000194574787 636791186 /nfs/dbraw/zinc/79/11/86/636791186.db2.gz SWTUPVMZHSVNNH-XYOKQWHBSA-N 0 0 290.413 2.558 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860232922 636834517 /nfs/dbraw/zinc/83/45/17/636834517.db2.gz GDLYXJLYXCWWDJ-USXIJHARSA-N 0 0 279.339 2.594 20 10 CFCDRN Cc1ccnn1CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000860833796 636984885 /nfs/dbraw/zinc/98/48/85/636984885.db2.gz GRARJASRKQKIFO-UHFFFAOYSA-N 0 0 297.358 2.906 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)C1 ZINC000861333925 637168387 /nfs/dbraw/zinc/16/83/87/637168387.db2.gz XWOITEUIRBALQY-UHFFFAOYSA-N 0 0 296.370 2.999 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C12CC(C1)C2 ZINC000862002299 637263428 /nfs/dbraw/zinc/26/34/28/637263428.db2.gz PZYLPMRIUJLVSU-WRSVWVKZSA-N 0 0 286.419 2.908 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1(F)CCCC1 ZINC000862027054 637266587 /nfs/dbraw/zinc/26/65/87/637266587.db2.gz HYIVBBXMUGQCEZ-UHFFFAOYSA-N 0 0 288.322 2.839 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1CC(F)(F)C1 ZINC000862026872 637266741 /nfs/dbraw/zinc/26/67/41/637266741.db2.gz BCZDYJLNJGGZQV-UHFFFAOYSA-N 0 0 292.285 2.602 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1=CCCC1 ZINC000862027583 637266833 /nfs/dbraw/zinc/26/68/33/637266833.db2.gz XOLOWRZVQNDMRB-UHFFFAOYSA-N 0 0 268.316 2.667 20 10 CFCDRN CCC1(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862027486 637266840 /nfs/dbraw/zinc/26/68/40/637266840.db2.gz UNECKXXGKGFCOM-UHFFFAOYSA-N 0 0 270.332 2.747 20 10 CFCDRN CC[C@@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862228884 637291998 /nfs/dbraw/zinc/29/19/98/637291998.db2.gz ZMHXSBQVVVFNAF-GFCCVEGCSA-N 0 0 284.350 2.642 20 10 CFCDRN CC(C)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H](C)O ZINC000862241402 637296268 /nfs/dbraw/zinc/29/62/68/637296268.db2.gz UWTUALBRALPSBS-NSHDSACASA-N 0 0 286.366 2.622 20 10 CFCDRN C[C@H]1OCCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC000862245182 637297714 /nfs/dbraw/zinc/29/77/14/637297714.db2.gz JMRBFHDDDYVHFE-WDEREUQCSA-N 0 0 284.350 2.640 20 10 CFCDRN CN(C)c1cc(F)c(CN2CC=CCC2)cc1F ZINC000862300847 637318041 /nfs/dbraw/zinc/31/80/41/637318041.db2.gz SAEVNVRCHLLKSW-UHFFFAOYSA-N 0 0 252.308 2.793 20 10 CFCDRN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)C1=CC(=O)CS1 ZINC000862373849 637343705 /nfs/dbraw/zinc/34/37/05/637343705.db2.gz GWUGSXNLRSDESU-KXUCPTDWSA-N 0 0 251.351 2.620 20 10 CFCDRN COc1cccc(O)c1CNc1cccc2c1OCC2 ZINC000862468052 637394425 /nfs/dbraw/zinc/39/44/25/637394425.db2.gz ANPVHQLWBYWJCW-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC2)c1 ZINC000075463087 650332300 /nfs/dbraw/zinc/33/23/00/650332300.db2.gz BRNWBAXGLFNMKM-JTQLQIEISA-N 0 0 278.352 2.561 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC2)c1 ZINC000075463090 650332407 /nfs/dbraw/zinc/33/24/07/650332407.db2.gz BRNWBAXGLFNMKM-SNVBAGLBSA-N 0 0 278.352 2.561 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(O)CCCC(C)(C)C2)c1 ZINC000862753138 637478282 /nfs/dbraw/zinc/47/82/82/637478282.db2.gz BXODHFCOBYCBNG-QGZVFWFLSA-N 0 0 291.391 2.648 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000862753752 637478847 /nfs/dbraw/zinc/47/88/47/637478847.db2.gz GOVYLKRMCUCFNQ-GFCCVEGCSA-N 0 0 297.354 2.954 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2SCCCS2)c1 ZINC000862754930 637479743 /nfs/dbraw/zinc/47/97/43/637479743.db2.gz LMVFTCVTNUXZCW-UHFFFAOYSA-N 0 0 283.418 2.513 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2Cc3ccccc3C2)c1 ZINC000862757279 637481176 /nfs/dbraw/zinc/48/11/76/637481176.db2.gz NNLOEELZRKEGGT-UHFFFAOYSA-N 0 0 281.355 2.732 20 10 CFCDRN Cc1noc(C)c1CCC(=O)NCc1cc(C)ccc1O ZINC000862761280 637483534 /nfs/dbraw/zinc/48/35/34/637483534.db2.gz MAHGTRBSPBGAID-UHFFFAOYSA-N 0 0 288.347 2.554 20 10 CFCDRN COc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761174 637483574 /nfs/dbraw/zinc/48/35/74/637483574.db2.gz HXMQEYISBKQNFZ-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccnc(F)c1 ZINC000863180424 637580639 /nfs/dbraw/zinc/58/06/39/637580639.db2.gz NPTQPAFMDMHFBF-FLIBITNWSA-N 0 0 291.351 2.677 20 10 CFCDRN CC(C)(C)OC(=O)C(=O)CSc1ncc(Cl)s1 ZINC000863347383 637634609 /nfs/dbraw/zinc/63/46/09/637634609.db2.gz FRCZMYBCZAABEH-UHFFFAOYSA-N 0 0 293.797 2.799 20 10 CFCDRN CN(CC(=O)NCCC1CCCCC1)c1ccc(N)cc1 ZINC000863557848 637696097 /nfs/dbraw/zinc/69/60/97/637696097.db2.gz XUJDKUOLQQWWCY-UHFFFAOYSA-N 0 0 289.423 2.792 20 10 CFCDRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863558003 637696351 /nfs/dbraw/zinc/69/63/51/637696351.db2.gz ZDJXIWQLHUUCIW-CQSZACIVSA-N 0 0 297.402 2.925 20 10 CFCDRN C[C@]12CCCC[C@H]1CN2C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000863588164 637703849 /nfs/dbraw/zinc/70/38/49/637703849.db2.gz FGMOXMMUSGZCCL-VOACFVOZSA-N 0 0 287.359 2.902 20 10 CFCDRN CSCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000119584690 637741159 /nfs/dbraw/zinc/74/11/59/637741159.db2.gz AOBXNVYLQFASSZ-UHFFFAOYSA-N 0 0 292.448 2.828 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863739009 637765688 /nfs/dbraw/zinc/76/56/88/637765688.db2.gz GSMUEMFZXFSKQA-GXFFZTMASA-N 0 0 297.782 2.897 20 10 CFCDRN O=C(NC[C@@H]1CCCC12CC2)c1c(F)ccc(O)c1O ZINC000863945609 637820392 /nfs/dbraw/zinc/82/03/92/637820392.db2.gz KZRVEZRBWYVGCS-VIFPVBQESA-N 0 0 279.311 2.547 20 10 CFCDRN COc1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000120092176 638014798 /nfs/dbraw/zinc/01/47/98/638014798.db2.gz AQLLXVMJNHGTLQ-UHFFFAOYSA-N 0 0 299.374 2.539 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573443 638030684 /nfs/dbraw/zinc/03/06/84/638030684.db2.gz LXYJHSPANCXWIQ-CAPXZKIUSA-N 0 0 272.392 2.661 20 10 CFCDRN CC/C=C(\F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000864574490 638031176 /nfs/dbraw/zinc/03/11/76/638031176.db2.gz BARBVWFBVOHENW-ACAGNQJTSA-N 0 0 250.317 2.632 20 10 CFCDRN Nc1ccc(OCc2cn(C3CCCCC3)nn2)cc1 ZINC000864623723 638050994 /nfs/dbraw/zinc/05/09/94/638050994.db2.gz ZMBFCIVXOXEONQ-UHFFFAOYSA-N 0 0 272.352 2.945 20 10 CFCDRN CCOC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864633745 638054431 /nfs/dbraw/zinc/05/44/31/638054431.db2.gz KLHRHYRPCYFKBR-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1 ZINC000015249121 638069684 /nfs/dbraw/zinc/06/96/84/638069684.db2.gz OBOLDOBYCINSDN-MRXNPFEDSA-N 0 0 281.359 2.949 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2nccnc2c1 ZINC000120265371 638108773 /nfs/dbraw/zinc/10/87/73/638108773.db2.gz MHNBKXFJWJYYIO-UHFFFAOYSA-N 0 0 293.326 2.608 20 10 CFCDRN CCOC1CC(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000189902722 650399726 /nfs/dbraw/zinc/39/97/26/650399726.db2.gz FHWZVHAFRGPXHS-UHFFFAOYSA-N 0 0 290.407 2.574 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccnn1 ZINC000120408945 638213005 /nfs/dbraw/zinc/21/30/05/638213005.db2.gz GMSJZXWHSZMVLA-UHFFFAOYSA-N 0 0 286.335 2.626 20 10 CFCDRN CCOc1ccc(CNc2nnc([C@@H]3C[C@@H]3C)o2)c(O)c1 ZINC000865296548 638262766 /nfs/dbraw/zinc/26/27/66/638262766.db2.gz ZLQANLLZLZZUNS-JOYOIKCWSA-N 0 0 289.335 2.909 20 10 CFCDRN COc1ccc([C@H]2Nc3cccc(C)c3C(=O)N2)c(O)c1 ZINC000077429991 650424332 /nfs/dbraw/zinc/42/43/32/650424332.db2.gz NSPSHVMOEUKJNE-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC=CCC2)c1 ZINC000077643054 650437673 /nfs/dbraw/zinc/43/76/73/650437673.db2.gz VIEZNUMOVHDRIL-VXGBXAGGSA-N 0 0 290.363 2.870 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC(C)(F)CC2)cc1OC ZINC000866099991 638737198 /nfs/dbraw/zinc/73/71/98/638737198.db2.gz CEVDWYODPDWFMF-UHFFFAOYSA-N 0 0 298.314 2.940 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866416086 638817692 /nfs/dbraw/zinc/81/76/92/638817692.db2.gz MIAIACVHNWXWNZ-LPEHRKFASA-N 0 0 289.297 2.833 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000866443268 638821877 /nfs/dbraw/zinc/82/18/77/638821877.db2.gz IWLXGGQKLYSZLV-LHGDZMGGSA-N 0 0 271.307 2.887 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866442825 638821938 /nfs/dbraw/zinc/82/19/38/638821938.db2.gz CGFYGBDYXVVJCZ-DNJQJEMRSA-N 0 0 280.324 2.517 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)O[C@H](C)COC)cc1 ZINC000866538409 638838360 /nfs/dbraw/zinc/83/83/60/638838360.db2.gz RVRCNPUMMIIPMO-CYBMUJFWSA-N 0 0 294.395 2.794 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC000866597665 638851528 /nfs/dbraw/zinc/85/15/28/638851528.db2.gz WTJKJSPTYIOVEO-OAHLLOKOSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnn(CC2CCCC2)c1 ZINC000866756168 638874030 /nfs/dbraw/zinc/87/40/30/638874030.db2.gz RPFSXSHIPDVIGO-UHFFFAOYSA-N 0 0 299.374 2.709 20 10 CFCDRN O=C(OCCC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000867691260 638892755 /nfs/dbraw/zinc/89/27/55/638892755.db2.gz SYHCZRIBALWTBF-UHFFFAOYSA-N 0 0 275.226 2.797 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1F ZINC000121781318 638894350 /nfs/dbraw/zinc/89/43/50/638894350.db2.gz YOFWJBITFMAFAH-UHFFFAOYSA-N 0 0 296.386 2.823 20 10 CFCDRN CCCCCCNC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000121825898 638897915 /nfs/dbraw/zinc/89/79/15/638897915.db2.gz 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/nfs/dbraw/zinc/61/79/46/642617946.db2.gz COPWQQIBAFRVCL-LLVKDONJSA-N 0 0 296.317 2.995 20 10 CFCDRN Cc1cnccc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000875424357 642620440 /nfs/dbraw/zinc/62/04/40/642620440.db2.gz JFBRHJLFDHMHEI-CYBMUJFWSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000875423688 642620553 /nfs/dbraw/zinc/62/05/53/642620553.db2.gz PMMRNJRYPNBLQL-JTQLQIEISA-N 0 0 260.337 2.606 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cnccc2C)c1 ZINC000875446397 642623789 /nfs/dbraw/zinc/62/37/89/642623789.db2.gz BIVPECHRHOKFFZ-ZDUSSCGKSA-N 0 0 299.374 2.964 20 10 CFCDRN CCC(C)(C)OCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875654963 642659792 /nfs/dbraw/zinc/65/97/92/642659792.db2.gz BGEFCCMPXFMYHO-UHFFFAOYSA-N 0 0 292.379 2.623 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCS1 ZINC000876053383 642760380 /nfs/dbraw/zinc/76/03/80/642760380.db2.gz SLZXJUOJPYKDIK-CYBMUJFWSA-N 0 0 294.420 2.819 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cnccn1)c1ccccn1 ZINC000876083689 642770416 /nfs/dbraw/zinc/77/04/16/642770416.db2.gz IXVOQHNSURAQQO-FPLPWBNLSA-N 0 0 282.347 2.718 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cnccn1)c1ccccn1 ZINC000876083688 642770867 /nfs/dbraw/zinc/77/08/67/642770867.db2.gz IXVOQHNSURAQQO-BQYQJAHWSA-N 0 0 282.347 2.718 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cnn(C)c1)c1ccncc1 ZINC000876288576 642811210 /nfs/dbraw/zinc/81/12/10/642811210.db2.gz SGCXLEZJUSXDIO-AATRIKPKSA-N 0 0 284.363 2.662 20 10 CFCDRN Nc1ccc(NC(=O)Cc2csc(C3CC3)n2)cc1 ZINC000876503684 642896241 /nfs/dbraw/zinc/89/62/41/642896241.db2.gz CRTKGAZZJRWWND-UHFFFAOYSA-N 0 0 273.361 2.784 20 10 CFCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000876528227 642905509 /nfs/dbraw/zinc/90/55/09/642905509.db2.gz TZAFRVMRLOKJTG-LBPRGKRZSA-N 0 0 272.348 2.714 20 10 CFCDRN C[C@@H]1SCC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000876751075 642994183 /nfs/dbraw/zinc/99/41/83/642994183.db2.gz UGAVRKVZALBVCX-IUCAKERBSA-N 0 0 273.348 2.996 20 10 CFCDRN Cn1cccc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876757672 642996568 /nfs/dbraw/zinc/99/65/68/642996568.db2.gz CLTRJEODOFVXIH-UHFFFAOYSA-N 0 0 266.291 2.641 20 10 CFCDRN CCC1(CO)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876757864 642996764 /nfs/dbraw/zinc/99/67/64/642996764.db2.gz BZUGCGARHRHKAN-UHFFFAOYSA-N 0 0 285.334 2.655 20 10 CFCDRN Cc1ccc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000876771017 643003657 /nfs/dbraw/zinc/00/36/57/643003657.db2.gz STBSSCMWXRXGOQ-GXFFZTMASA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(CCO)cc1 ZINC000876836965 643033820 /nfs/dbraw/zinc/03/38/20/643033820.db2.gz MHJBKMZXNOEYFU-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCCCO2)c1 ZINC000088360187 650811628 /nfs/dbraw/zinc/81/16/28/650811628.db2.gz WUKDFFHCAMGPJX-WCQYABFASA-N 0 0 293.363 2.537 20 10 CFCDRN CCCCC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126297583 643109389 /nfs/dbraw/zinc/10/93/89/643109389.db2.gz DOJWKYAYNSGWFY-SNVBAGLBSA-N 0 0 251.326 2.796 20 10 CFCDRN CC(C)c1csc(NC(=O)c2cccc(O)c2O)n1 ZINC000126307491 643112288 /nfs/dbraw/zinc/11/22/88/643112288.db2.gz RGGVUEIGMCCDBF-UHFFFAOYSA-N 0 0 278.333 2.930 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](CCO)c2cccs2)ccc(F)c1F ZINC000877051722 643122638 /nfs/dbraw/zinc/12/26/38/643122638.db2.gz ZDHHBRNSNCHCQN-NSHDSACASA-N 0 0 299.342 2.945 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](CCO)c2ccccc2)ccc(F)c1F ZINC000877053588 643123216 /nfs/dbraw/zinc/12/32/16/643123216.db2.gz SIYCDVVTKYLLSH-CQSZACIVSA-N 0 0 293.313 2.884 20 10 CFCDRN Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877056470 643124578 /nfs/dbraw/zinc/12/45/78/643124578.db2.gz RZQDMNPQKHEXNP-QMMMGPOBSA-N 0 0 296.317 2.996 20 10 CFCDRN CO[C@@H](C(=O)N(C)c1ccc(N)cc1)C1CCCCC1 ZINC000877074383 643136398 /nfs/dbraw/zinc/13/63/98/643136398.db2.gz IIUTZZDWIWFTAO-OAHLLOKOSA-N 0 0 276.380 2.827 20 10 CFCDRN CN(C(=O)c1c(C2CCC2)cnn1C)c1ccc(N)cc1 ZINC000877074496 643136488 /nfs/dbraw/zinc/13/64/88/643136488.db2.gz MBQJNLCJUKHDIG-UHFFFAOYSA-N 0 0 284.363 2.546 20 10 CFCDRN CN(C(=O)c1ccnn1C1CCCC1)c1ccc(N)cc1 ZINC000877075288 643137654 /nfs/dbraw/zinc/13/76/54/643137654.db2.gz CCBTYRWIZJKZKP-UHFFFAOYSA-N 0 0 284.363 2.857 20 10 CFCDRN CC(C)Nc1ncccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077340 643138212 /nfs/dbraw/zinc/13/82/12/643138212.db2.gz DSAIPXIBNNLWEP-UHFFFAOYSA-N 0 0 284.363 2.761 20 10 CFCDRN CCOCCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877076464 643138370 /nfs/dbraw/zinc/13/83/70/643138370.db2.gz MWWMDGDGXALDRX-UHFFFAOYSA-N 0 0 264.369 2.829 20 10 CFCDRN CN(C(=O)c1csc(NC2CC2)n1)c1ccc(N)cc1 ZINC000877076342 643138618 /nfs/dbraw/zinc/13/86/18/643138618.db2.gz LFVZCEZQZSEVAY-UHFFFAOYSA-N 0 0 288.376 2.576 20 10 CFCDRN Cc1cc(C)n([C@@H](C)CC(=O)N(C)c2ccc(N)cc2)n1 ZINC000877077948 643139385 /nfs/dbraw/zinc/13/93/85/643139385.db2.gz WYKZCYABLWPBMS-ZDUSSCGKSA-N 0 0 286.379 2.696 20 10 CFCDRN CC(C)CN(C(=O)c1cccc(O)c1O)C(C)C ZINC000126335859 643151608 /nfs/dbraw/zinc/15/16/08/643151608.db2.gz ZDQXHHFXAVWVIP-UHFFFAOYSA-N 0 0 251.326 2.604 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000126346107 643153407 /nfs/dbraw/zinc/15/34/07/643153407.db2.gz VKBPLVAFCNIYFO-GHMZBOCLSA-N 0 0 263.337 2.654 20 10 CFCDRN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000126351041 643155719 /nfs/dbraw/zinc/15/57/19/643155719.db2.gz YMDMBZYTKKUUJE-LBPRGKRZSA-N 0 0 285.343 2.849 20 10 CFCDRN [O-]c1c(CNc2cnn(CC3CC3)c2)ccc(F)c1F ZINC000877122286 643161428 /nfs/dbraw/zinc/16/14/28/643161428.db2.gz OGCODNPRJFPWHY-UHFFFAOYSA-N 0 0 279.290 2.889 20 10 CFCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877124291 643164147 /nfs/dbraw/zinc/16/41/47/643164147.db2.gz VAIQJKJHTMSFSR-CQSZACIVSA-N 0 0 287.350 2.803 20 10 CFCDRN CN(Cc1c2c(nn1C)CCCC2)c1ccc2c(c1)OCO2 ZINC000877179634 643191704 /nfs/dbraw/zinc/19/17/04/643191704.db2.gz DWVXDIRPZSHEAI-UHFFFAOYSA-N 0 0 299.374 2.664 20 10 CFCDRN COc1ccc(N(C)C[C@]2(OC)CCOC2)cc1Cl ZINC000877181299 643192517 /nfs/dbraw/zinc/19/25/17/643192517.db2.gz LADIHYTZLLJXOF-CQSZACIVSA-N 0 0 285.771 2.590 20 10 CFCDRN Cc1nnc([C@@H](C)NCc2ccc(C)cc2O)s1 ZINC000877345545 643244141 /nfs/dbraw/zinc/24/41/41/643244141.db2.gz GIRGWSMKXFEQDY-SECBINFHSA-N 0 0 263.366 2.711 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCC[C@H]1CCO1 ZINC000877372922 643249002 /nfs/dbraw/zinc/24/90/02/643249002.db2.gz KCTMUDDZYLQBKO-AWEZNQCLSA-N 0 0 276.380 2.521 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@H]1C1CC1 ZINC000877394581 643257296 /nfs/dbraw/zinc/25/72/96/643257296.db2.gz FHSJQXYIUFWGJP-HOTGVXAUSA-N 0 0 297.345 2.965 20 10 CFCDRN Cc1nocc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000888747582 643275491 /nfs/dbraw/zinc/27/54/91/643275491.db2.gz CJHIEDGSSSWNKT-UHFFFAOYSA-N 0 0 292.314 2.510 20 10 CFCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126539990 643290304 /nfs/dbraw/zinc/29/03/04/643290304.db2.gz ZPXLNFVQRGAZGK-NSHDSACASA-N 0 0 271.316 2.631 20 10 CFCDRN CC[C@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000126540656 643290723 /nfs/dbraw/zinc/29/07/23/643290723.db2.gz LBZPSNHNMAOCMS-NSHDSACASA-N 0 0 263.337 2.893 20 10 CFCDRN C/C=C\C[C@@H](NCc1ccc(C)cc1O)C(=O)OCC ZINC000877476636 643294406 /nfs/dbraw/zinc/29/44/06/643294406.db2.gz JPSJFNOPWRXKGJ-KXQLTZBTSA-N 0 0 277.364 2.688 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000877555027 643355640 /nfs/dbraw/zinc/35/56/40/643355640.db2.gz RWIBEQKXJLFIHK-LLVKDONJSA-N 0 0 296.361 2.587 20 10 CFCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(C)C ZINC000877592624 643386061 /nfs/dbraw/zinc/38/60/61/643386061.db2.gz IVLWIHSTNSCKCY-NSHDSACASA-N 0 0 273.323 2.821 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(COCCO)cc1 ZINC000877598444 643389846 /nfs/dbraw/zinc/38/98/46/643389846.db2.gz FOWJFVHLOXMTPI-UHFFFAOYSA-N 0 0 287.359 2.822 20 10 CFCDRN COCC1(C2CCC2)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877624434 643409995 /nfs/dbraw/zinc/40/99/95/643409995.db2.gz BEUVBOYCMLLRTH-UHFFFAOYSA-N 0 0 297.345 2.919 20 10 CFCDRN Cc1cccc(O)c1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000877639247 643423853 /nfs/dbraw/zinc/42/38/53/643423853.db2.gz DIZRVLWKSVNJGH-LLVKDONJSA-N 0 0 289.297 2.854 20 10 CFCDRN C[C@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877641805 643425306 /nfs/dbraw/zinc/42/53/06/643425306.db2.gz AZSGPRDIHCGAAA-BONVTDFDSA-N 0 0 293.313 2.882 20 10 CFCDRN C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877641804 643425679 /nfs/dbraw/zinc/42/56/79/643425679.db2.gz AZSGPRDIHCGAAA-BMIGLBTASA-N 0 0 293.313 2.882 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877680847 643449828 /nfs/dbraw/zinc/44/98/28/643449828.db2.gz AVSIWESROZACKB-HTJAIIGDSA-N 0 0 297.757 2.698 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877680848 643450356 /nfs/dbraw/zinc/45/03/56/643450356.db2.gz AVSIWESROZACKB-NGJSEKSISA-N 0 0 297.757 2.698 20 10 CFCDRN COc1cc(CN2Cc3cccc(O)c3C2)cc(OC)c1 ZINC000877703336 643468636 /nfs/dbraw/zinc/46/86/36/643468636.db2.gz BYYLBFSOAKNZHM-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN COc1ccc(CN2Cc3cccc(O)c3C2)cc1OC ZINC000877703698 643468654 /nfs/dbraw/zinc/46/86/54/643468654.db2.gz QBBOBBGBTCEOEO-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN O=C([O-])[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089445385 650843298 /nfs/dbraw/zinc/84/32/98/650843298.db2.gz QOLRQBAESRHPPO-HUUCEWRRSA-N 0 0 289.375 2.602 20 10 CFCDRN CC1(C)C[C@@H](O)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877751320 643527773 /nfs/dbraw/zinc/52/77/73/643527773.db2.gz BJVBLJZNMXCIDF-SECBINFHSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccnn1C ZINC000877763427 643544535 /nfs/dbraw/zinc/54/45/35/643544535.db2.gz XVYUMHDCGBECHK-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)ccc(F)c1F ZINC000877805483 643567395 /nfs/dbraw/zinc/56/73/95/643567395.db2.gz JXHPILSBOKNTAA-SUZMYJTESA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1ccc2c(c1)N[C@H](c1cc(F)ccc1O)NC2=O ZINC000877865284 643613262 /nfs/dbraw/zinc/61/32/62/643613262.db2.gz ZUSYMVPAWGSGQF-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H]2C)c(OC)c1 ZINC000878295222 643825790 /nfs/dbraw/zinc/82/57/90/643825790.db2.gz XDHIJKVQYPIXFW-VXGBXAGGSA-N 0 0 265.353 2.565 20 10 CFCDRN Cc1noc(C)c1NC(=O)N[C@H](C)c1ccccc1O ZINC000878515447 643923370 /nfs/dbraw/zinc/92/33/70/643923370.db2.gz CHLFZJKBVFRVAN-MRVPVSSYSA-N 0 0 275.308 2.880 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)co2)c1 ZINC000878730269 644010193 /nfs/dbraw/zinc/01/01/93/644010193.db2.gz FSHIHIFBOXWDTI-JTQLQIEISA-N 0 0 275.304 2.793 20 10 CFCDRN CCc1cc(NC(=O)N[C@H](C)c2ccccc2O)no1 ZINC000878781808 644024488 /nfs/dbraw/zinc/02/44/88/644024488.db2.gz PCVUVAJVINYJHJ-SECBINFHSA-N 0 0 275.308 2.825 20 10 CFCDRN CCOc1ccc(N(CC2CC2)C[C@H]2COCCO2)cc1 ZINC000879117145 644149280 /nfs/dbraw/zinc/14/92/80/644149280.db2.gz KCHQXFMLCYVQDU-KRWDZBQOSA-N 0 0 291.391 2.717 20 10 CFCDRN C[C@H](NCc1noc(C(C)(C)C)n1)c1ccccc1O ZINC000879652131 644366205 /nfs/dbraw/zinc/36/62/05/644366205.db2.gz WIZOWRDFUFYSDY-JTQLQIEISA-N 0 0 275.352 2.924 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2OC3CCC2CC3)c1O ZINC000879799164 644429530 /nfs/dbraw/zinc/42/95/30/644429530.db2.gz AGKUPVKIJMNUHJ-UHFFFAOYSA-N 0 0 279.311 2.792 20 10 CFCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000128015687 644433495 /nfs/dbraw/zinc/43/34/95/644433495.db2.gz SOCLSFSYLQCMCV-UHFFFAOYSA-N 0 0 283.375 2.839 20 10 CFCDRN CC1(C)C[C@H](NC(=O)C2=CC(=O)CS2)CCS1 ZINC000888799177 644521110 /nfs/dbraw/zinc/52/11/10/644521110.db2.gz XKYRRRSZBZORJF-MRVPVSSYSA-N 0 0 271.407 2.858 20 10 CFCDRN CSCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000128502832 644772774 /nfs/dbraw/zinc/77/27/74/644772774.db2.gz IRLUYSMVAWGVOD-UHFFFAOYSA-N 0 0 266.410 2.512 20 10 CFCDRN COCC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000880594570 644782978 /nfs/dbraw/zinc/78/29/78/644782978.db2.gz UJHJXSOJOPTFNE-UHFFFAOYSA-N 0 0 298.386 2.813 20 10 CFCDRN CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C ZINC000249266304 650956996 /nfs/dbraw/zinc/95/69/96/650956996.db2.gz ZNPXZZLDUDCYSQ-ZWNOBZJWSA-N 0 0 269.772 2.902 20 10 CFCDRN Cc1ccc(C(=O)NCCCSc2nccs2)nc1 ZINC000128819148 644912804 /nfs/dbraw/zinc/91/28/04/644912804.db2.gz QXPWELHPNZKQEF-UHFFFAOYSA-N 0 0 293.417 2.759 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(F)F)cc1 ZINC000881283082 644942729 /nfs/dbraw/zinc/94/27/29/644942729.db2.gz WNDYDTRFFGDGSA-LLVKDONJSA-N 0 0 299.365 2.986 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)c1ccccc1O ZINC000881440698 644975304 /nfs/dbraw/zinc/97/53/04/644975304.db2.gz MBRBXNJOYKGDPP-GDLVEWKHSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440476 644975493 /nfs/dbraw/zinc/97/54/93/644975493.db2.gz CQASDTDFHBVMPT-GYSYKLTISA-N 0 0 299.374 2.659 20 10 CFCDRN CC[C@H](C)[C@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000252409307 651003559 /nfs/dbraw/zinc/00/35/59/651003559.db2.gz KFHWQSOZKXTCAH-WDMOLILDSA-N 0 0 265.353 2.631 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 ZINC000025450071 645419034 /nfs/dbraw/zinc/41/90/34/645419034.db2.gz HCWFDQWITKPXHK-UHFFFAOYSA-N 0 0 278.739 2.929 20 10 CFCDRN C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000130739350 645561930 /nfs/dbraw/zinc/56/19/30/645561930.db2.gz FJQKXGXKZOLVIU-SSDOTTSWSA-N 0 0 264.152 2.512 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000883028844 645570258 /nfs/dbraw/zinc/57/02/58/645570258.db2.gz WDHLMBKUZWLXGJ-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C2CCC2)c1 ZINC000130858587 645584464 /nfs/dbraw/zinc/58/44/64/645584464.db2.gz DIRWSBNIACVWAI-MNOVXSKESA-N 0 0 292.379 2.950 20 10 CFCDRN C=C/C=C\CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000883077845 645594591 /nfs/dbraw/zinc/59/45/91/645594591.db2.gz YHAGMIFDIMGVNW-WAYWQWQTSA-N 0 0 273.380 2.684 20 10 CFCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000883146333 645625000 /nfs/dbraw/zinc/62/50/00/645625000.db2.gz IZLJRLVWUXHHNS-RFAUZJTJSA-N 0 0 285.334 2.964 20 10 CFCDRN CCc1cc(NCc2cc(F)cc(F)c2O)nn1C ZINC000883147234 645625973 /nfs/dbraw/zinc/62/59/73/645625973.db2.gz OUEFNSXHNIMVGS-UHFFFAOYSA-N 0 0 267.279 2.578 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000883197196 645657411 /nfs/dbraw/zinc/65/74/11/645657411.db2.gz FRQWCNGPNAWLAC-NHYWBVRUSA-N 0 0 297.345 2.965 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2ccsc2)c1 ZINC000131477955 645730671 /nfs/dbraw/zinc/73/06/71/645730671.db2.gz ZYKQJWOWMQWECB-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN COc1ccc(CNC2(c3ncccn3)CCC2)cc1C ZINC000883308530 645730757 /nfs/dbraw/zinc/73/07/57/645730757.db2.gz RSRVQTQEVVUMQK-UHFFFAOYSA-N 0 0 283.375 2.963 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCN1CC)c1ccc(F)cc1[O-] ZINC000883355185 645760015 /nfs/dbraw/zinc/76/00/15/645760015.db2.gz LBQRCIPUGKXQOZ-JSGCOSHPSA-N 0 0 266.360 2.666 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccc(N)cc2)s1 ZINC000883509075 645865721 /nfs/dbraw/zinc/86/57/21/645865721.db2.gz MMXFFNMQKVUTAM-UHFFFAOYSA-N 0 0 274.389 2.806 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC2(C)CC(F)(F)C2)c1 ZINC000883810611 645980773 /nfs/dbraw/zinc/98/07/73/645980773.db2.gz QZSXHCZQMNNUTM-UHFFFAOYSA-N 0 0 298.333 2.935 20 10 CFCDRN O=C(COc1ccc(Cl)cc1)NCc1ccccc1O ZINC000133781238 646227241 /nfs/dbraw/zinc/22/72/41/646227241.db2.gz VDPALAFCRDCHQA-UHFFFAOYSA-N 0 0 291.734 2.741 20 10 CFCDRN Cc1ccc(C)c(C(=O)NCc2ccccc2O)c1 ZINC000133780827 646227804 /nfs/dbraw/zinc/22/78/04/646227804.db2.gz JUJPNIMKFHWDKL-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccccc2O)cc1C ZINC000133794918 646228871 /nfs/dbraw/zinc/22/88/71/646228871.db2.gz IPBSNMHLGMTGBQ-UHFFFAOYSA-N 0 0 269.344 2.868 20 10 CFCDRN COc1ccc(Cl)cc1C(=O)NCc1ccccc1O ZINC000133798545 646229636 /nfs/dbraw/zinc/22/96/36/646229636.db2.gz XUYANYUOTKFJLP-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN C[C@H](NC(=O)N(C)CCCF)c1ccc(N(C)C)cc1 ZINC000884276264 646287513 /nfs/dbraw/zinc/28/75/13/646287513.db2.gz KLNIBTIRCXPEOX-LBPRGKRZSA-N 0 0 281.375 2.815 20 10 CFCDRN COCCOC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000884969068 646572436 /nfs/dbraw/zinc/57/24/36/646572436.db2.gz YTHFQXVIKXRQIC-UHFFFAOYSA-N 0 0 294.395 2.746 20 10 CFCDRN C[C@H](NS(=O)(=O)CCCC1CC1)c1ccccc1O ZINC000885343972 646666197 /nfs/dbraw/zinc/66/61/97/646666197.db2.gz SXQRJGGPLXWTRT-NSHDSACASA-N 0 0 283.393 2.563 20 10 CFCDRN Cc1[nH]nc(C(C)C)c1C(=O)N(C)Cc1ccccc1O ZINC000136460787 646808201 /nfs/dbraw/zinc/80/82/01/646808201.db2.gz XVOPBVCEAGZHLE-UHFFFAOYSA-N 0 0 287.363 2.819 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCC=CCC1 ZINC000886019904 646822411 /nfs/dbraw/zinc/82/24/11/646822411.db2.gz IJRHAJLBGNOJEL-CSKARUKUSA-N 0 0 287.359 2.974 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886285244 646952854 /nfs/dbraw/zinc/95/28/54/646952854.db2.gz CIWDYTOQGOWXHB-GFCCVEGCSA-N 0 0 283.318 2.719 20 10 CFCDRN CC(C)OCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489695 647016028 /nfs/dbraw/zinc/01/60/28/647016028.db2.gz OSSDTUWXOLFUFU-LLVKDONJSA-N 0 0 255.333 2.997 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886498804 647020371 /nfs/dbraw/zinc/02/03/71/647020371.db2.gz QLRWKSMAPBQARG-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886504230 647021676 /nfs/dbraw/zinc/02/16/76/647021676.db2.gz XMQYFDWVYQMKMC-LBPRGKRZSA-N 0 0 296.386 2.831 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886520520 647026977 /nfs/dbraw/zinc/02/69/77/647026977.db2.gz GQOLLHHJMJWUBW-SNVBAGLBSA-N 0 0 277.343 2.732 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886524973 647028973 /nfs/dbraw/zinc/02/89/73/647028973.db2.gz UWQVOIDMVNZWSH-OCCSQVGLSA-N 0 0 289.350 2.786 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526398 647030121 /nfs/dbraw/zinc/03/01/21/647030121.db2.gz LPLSSTRDJNQQGI-HZMBPMFUSA-N 0 0 255.333 2.733 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886535418 647035084 /nfs/dbraw/zinc/03/50/84/647035084.db2.gz ZXBNVAMAJSHNPX-GWCFXTLKSA-N 0 0 255.333 2.853 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886540939 647037884 /nfs/dbraw/zinc/03/78/84/647037884.db2.gz NEIKTOPTLJCQJA-RISCZKNCSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1c([O-])cccc1F ZINC000886560011 647047014 /nfs/dbraw/zinc/04/70/14/647047014.db2.gz LCRXHRNTWGOGQK-MQIPJXDCSA-N 0 0 295.354 2.520 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CCC1)c1c([O-])cccc1F ZINC000886589774 647057701 /nfs/dbraw/zinc/05/77/01/647057701.db2.gz FJAXVJJWQKLNHX-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1c([O-])cccc1F ZINC000886596908 647060666 /nfs/dbraw/zinc/06/06/66/647060666.db2.gz RMITTZDXNYGKIB-GHMZBOCLSA-N 0 0 251.301 2.875 20 10 CFCDRN Cc1nnc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886611206 647066148 /nfs/dbraw/zinc/06/61/48/647066148.db2.gz WCLLKBXVHROCFK-QMMMGPOBSA-N 0 0 281.356 2.585 20 10 CFCDRN CO[C@](C)(C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886612469 647066626 /nfs/dbraw/zinc/06/66/26/647066626.db2.gz LVYMZQPCEJSIKW-ZUZCIYMTSA-N 0 0 267.344 2.997 20 10 CFCDRN CO[C@](C)(C[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886612468 647067282 /nfs/dbraw/zinc/06/72/82/647067282.db2.gz LVYMZQPCEJSIKW-MEBBXXQBSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](N[C@H]1CCn2ccnc21)c1c(O)cccc1F ZINC000886615415 647068940 /nfs/dbraw/zinc/06/89/40/647068940.db2.gz FUIDKPFOKCPHHL-ONGXEEELSA-N 0 0 261.300 2.523 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886625707 647075415 /nfs/dbraw/zinc/07/54/15/647075415.db2.gz XYAWUWMBPPENHN-NDMJEZRESA-N 0 0 253.317 2.749 20 10 CFCDRN COC1CC(CC[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886634997 647079987 /nfs/dbraw/zinc/07/99/87/647079987.db2.gz SCEQCBVUTSHUGG-UNXYVOJBSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1c([O-])cccc1F ZINC000886638262 647081896 /nfs/dbraw/zinc/08/18/96/647081896.db2.gz PDLRXYSMYOAUJU-ZYHUDNBSSA-N 0 0 267.344 2.591 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1c([O-])cccc1F ZINC000886638631 647082258 /nfs/dbraw/zinc/08/22/58/647082258.db2.gz YVBRAHHAJWDGQY-GHMZBOCLSA-N 0 0 265.328 2.894 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886641887 647084067 /nfs/dbraw/zinc/08/40/67/647084067.db2.gz UVJKMMJYFQIYNZ-VXGBXAGGSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886648079 647087295 /nfs/dbraw/zinc/08/72/95/647087295.db2.gz LDEAZTBRSLVWMN-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1c([O-])cccc1F ZINC000886650042 647088707 /nfs/dbraw/zinc/08/87/07/647088707.db2.gz NYWXBIPOHKYWRI-MNOVXSKESA-N 0 0 281.327 2.525 20 10 CFCDRN CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccccc1O ZINC000886801846 647144752 /nfs/dbraw/zinc/14/47/52/647144752.db2.gz TYMVGLQYYAWTKQ-ZYHUDNBSSA-N 0 0 277.286 2.746 20 10 CFCDRN CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccccc1O ZINC000886801843 647144869 /nfs/dbraw/zinc/14/48/69/647144869.db2.gz TYMVGLQYYAWTKQ-CMPLNLGQSA-N 0 0 277.286 2.746 20 10 CFCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](CCO)C(F)(F)F)c1 ZINC000886801546 647144915 /nfs/dbraw/zinc/14/49/15/647144915.db2.gz OROVNNCIRLWDAE-SKDRFNHKSA-N 0 0 277.286 2.665 20 10 CFCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000887375357 647292068 /nfs/dbraw/zinc/29/20/68/647292068.db2.gz OBSBRBBULLEQGP-XBXARRHUSA-N 0 0 275.348 2.663 20 10 CFCDRN CCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000302370848 647406302 /nfs/dbraw/zinc/40/63/02/647406302.db2.gz ZRKZXURSJOZENY-UHFFFAOYSA-N 0 0 251.717 2.874 20 10 CFCDRN Cc1coc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000889294905 647538546 /nfs/dbraw/zinc/53/85/46/647538546.db2.gz AZBBMZFCDDSZAT-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890238069 647768491 /nfs/dbraw/zinc/76/84/91/647768491.db2.gz JWJACEKADUEWDO-REPZICSESA-N 0 0 273.332 2.512 20 10 CFCDRN CCO[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])CN(C)C ZINC000926958373 648670543 /nfs/dbraw/zinc/67/05/43/648670543.db2.gz GRNNWJXSBPZUJT-ZFWWWQNUSA-N 0 0 298.402 2.539 20 10 CFCDRN CC[C@H]([NH2+]CCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000927076984 648699432 /nfs/dbraw/zinc/69/94/32/648699432.db2.gz PXRDEJZOJSCENT-HNNXBMFYSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000927228548 648741428 /nfs/dbraw/zinc/74/14/28/648741428.db2.gz PUWSVSDTUPILMP-UWVGGRQHSA-N 0 0 298.383 2.615 20 10 CFCDRN CC(C)(C)OC[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000928234045 648881412 /nfs/dbraw/zinc/88/14/12/648881412.db2.gz DEMDBJDSXFUDRB-SNVBAGLBSA-N 0 0 283.393 2.873 20 10 CFCDRN C[C@H]1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928705201 648943951 /nfs/dbraw/zinc/94/39/51/648943951.db2.gz HFCLIAAQGYQBTH-WDEREUQCSA-N 0 0 265.328 2.974 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)C1CCC1 ZINC000928705323 648944747 /nfs/dbraw/zinc/94/47/47/648944747.db2.gz GMHHRHGMBYIDLG-UHFFFAOYSA-N 0 0 265.328 2.974 20 10 CFCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928707755 648945307 /nfs/dbraw/zinc/94/53/07/648945307.db2.gz HTGWZOJMQIWSQV-NWDGAFQWSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@]12C[C@@H]1CCCC2 ZINC000928710977 648946470 /nfs/dbraw/zinc/94/64/70/648946470.db2.gz YVBQXILAXMQWDS-BONVTDFDSA-N 0 0 263.312 2.728 20 10 CFCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000928712689 648946699 /nfs/dbraw/zinc/94/66/99/648946699.db2.gz UIDUSVAMFDMIOM-SNVBAGLBSA-N 0 0 277.295 2.934 20 10 CFCDRN Cc1cc(CN2CCOc3cc(N(C)C)ccc32)c(C)nn1 ZINC000930125991 649190220 /nfs/dbraw/zinc/19/02/20/649190220.db2.gz HONVWRVSEMHNCI-UHFFFAOYSA-N 0 0 298.390 2.558 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2c(F)cncc2F)c1 ZINC000930217215 649207866 /nfs/dbraw/zinc/20/78/66/649207866.db2.gz TWKGFWKAIAECDT-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)c(C)c1 ZINC000930299301 649225155 /nfs/dbraw/zinc/22/51/55/649225155.db2.gz XZPWMKVLFRHFOC-SOFGYWHQSA-N 0 0 269.348 2.713 20 10 CFCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](CC)CO ZINC000930350697 649235475 /nfs/dbraw/zinc/23/54/75/649235475.db2.gz JDPMVZXXXDOIBX-CQSZACIVSA-N 0 0 251.370 2.765 20 10 CFCDRN CCc1noc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930545396 649270960 /nfs/dbraw/zinc/27/09/60/649270960.db2.gz JXGSYFVBVSMOKL-UHFFFAOYSA-N 0 0 287.319 2.799 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@H]2C(F)F)c1O ZINC000931424661 649424082 /nfs/dbraw/zinc/42/40/82/649424082.db2.gz MRAGDWXDLQAYNV-NSHDSACASA-N 0 0 273.254 2.573 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000932014844 649525165 /nfs/dbraw/zinc/52/51/65/649525165.db2.gz ZTSCMPPFDFGKIC-GWJCSSMESA-N 0 0 281.359 2.659 20 10 CFCDRN COc1ccc(C(=O)N(C)Cc2ccccc2O)c(F)c1 ZINC000119968434 651301781 /nfs/dbraw/zinc/30/17/81/651301781.db2.gz KMQBGPMHFNSRDO-UHFFFAOYSA-N 0 0 289.306 2.812 20 10 CFCDRN COc1cc(O)c(CN2CCCCO2)c(Cl)c1 ZINC001236799119 778942397 /nfs/dbraw/zinc/94/23/97/778942397.db2.gz RPXJUBZUJVMGSP-UHFFFAOYSA-N 0 0 257.717 2.582 20 10 CFCDRN COc1ccc(C)cc1CC(=O)Nc1ccc(N)cc1 ZINC000700933104 780743585 /nfs/dbraw/zinc/74/35/85/780743585.db2.gz ZOFCMVLYXONPIQ-UHFFFAOYSA-N 0 0 270.332 2.767 20 10 CFCDRN CCCC[C@@H](O)CCC(=O)NCc1cc(C)ccc1O ZINC001167293711 770227123 /nfs/dbraw/zinc/22/71/23/770227123.db2.gz OZMMYENFLBZADR-CQSZACIVSA-N 0 0 279.380 2.648 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cc(O)ccc2Cl)c1 ZINC001167293898 770227326 /nfs/dbraw/zinc/22/73/26/770227326.db2.gz SZUPHMPJXYPCNR-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cc(Cl)ncc2F)c1 ZINC001167293376 770227596 /nfs/dbraw/zinc/22/75/96/770227596.db2.gz ACWMTZRUGJPFLR-UHFFFAOYSA-N 0 0 294.713 2.818 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccncn1 ZINC000588393852 770503550 /nfs/dbraw/zinc/50/35/50/770503550.db2.gz FIAAATKNDFEEKN-FPLPWBNLSA-N 0 0 297.358 2.634 20 10 CFCDRN Cc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)sc1C ZINC000588403524 770532359 /nfs/dbraw/zinc/53/23/59/770532359.db2.gz NYMVRJWIICCCCX-XQRVVYSFSA-N 0 0 290.344 2.823 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccc(F)cc21 ZINC000588405556 770534741 /nfs/dbraw/zinc/53/47/41/770534741.db2.gz HPEOJBNCDYQTOJ-KXFIGUGUSA-N 0 0 299.301 2.839 20 10 CFCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1O ZINC000588407399 770545525 /nfs/dbraw/zinc/54/55/25/770545525.db2.gz ZSCYASOYUKSJRV-CLTKARDFSA-N 0 0 285.299 2.764 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000723960003 770721762 /nfs/dbraw/zinc/72/17/62/770721762.db2.gz VGCFPUDKKGZHNJ-YGRLFVJLSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485165 770721842 /nfs/dbraw/zinc/72/18/42/770721842.db2.gz RSISGEGPUXGISE-VHSXEESVSA-N 0 0 283.755 2.588 20 10 CFCDRN Cc1[nH]c(C[N@@H+](C)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC001140497877 770765401 /nfs/dbraw/zinc/76/54/01/770765401.db2.gz VHCCVDXTMPZVHD-UHFFFAOYSA-N 0 0 288.347 2.667 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CCc3cccc(Cl)c32)c1 ZINC001125559791 770797100 /nfs/dbraw/zinc/79/71/00/770797100.db2.gz HLKALOAWCUFJLD-WAYWQWQTSA-N 0 0 287.750 2.676 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CCC[C@@H]1c1cnccn1 ZINC001140583556 770964680 /nfs/dbraw/zinc/96/46/80/770964680.db2.gz LHLFLJRDNATJPI-CQSZACIVSA-N 0 0 291.301 2.798 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)[C@H](C)C1 ZINC001140584647 770970634 /nfs/dbraw/zinc/97/06/34/770970634.db2.gz ACIHOIZFMAYEFY-KOLCDFICSA-N 0 0 271.307 2.670 20 10 CFCDRN COCOc1ccccc1Nc1cccc(O)c1O ZINC001211562348 773207255 /nfs/dbraw/zinc/20/72/55/773207255.db2.gz HNCLRWMUTBUDNB-UHFFFAOYSA-N 0 0 261.277 2.824 20 10 CFCDRN Nc1ccc(N(CCO)c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC001213088231 775101175 /nfs/dbraw/zinc/10/11/75/775101175.db2.gz XEKAGWIINVLUIK-UHFFFAOYSA-N 0 0 294.358 2.789 20 10 CFCDRN CCCCC[C@@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464281 775833769 /nfs/dbraw/zinc/83/37/69/775833769.db2.gz GLHNZSGLTIRZQT-SSDOTTSWSA-N 0 0 272.297 2.562 20 10 CFCDRN CC(C)C[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)C ZINC001226464287 775833931 /nfs/dbraw/zinc/83/39/31/775833931.db2.gz GLTJNAQCLZTKFQ-MRVPVSSYSA-N 0 0 286.324 2.664 20 10 CFCDRN CC[C@H]1CCCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465253 775835077 /nfs/dbraw/zinc/83/50/77/775835077.db2.gz RBJAJUIBNDKPIK-JGVFFNPUSA-N 0 0 284.308 2.562 20 10 CFCDRN Cc1cc(C(=O)NN2CCCCC2)c(C)n1-c1ccccn1 ZINC000123473602 776085888 /nfs/dbraw/zinc/08/58/88/776085888.db2.gz PNFFWUGKYIPNON-UHFFFAOYSA-N 0 0 298.390 2.620 20 10 CFCDRN COC[C@@H](C)OC[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939261 776334499 /nfs/dbraw/zinc/33/44/99/776334499.db2.gz QCUHOMQUCPLIAN-CHWSQXEVSA-N 0 0 267.369 2.571 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCO3)cccc21 ZINC001228072797 776385056 /nfs/dbraw/zinc/38/50/56/776385056.db2.gz FRJOMOAJHNRURO-LLVKDONJSA-N 0 0 294.306 2.630 20 10 CFCDRN CC(=O)N1CCN(c2ccc(O[C@@H](C)C(C)C)cc2)CC1 ZINC001228200537 776421396 /nfs/dbraw/zinc/42/13/96/776421396.db2.gz HKJHCBGIJMFDDW-AWEZNQCLSA-N 0 0 290.407 2.778 20 10 CFCDRN CC(C)Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001228210458 776422621 /nfs/dbraw/zinc/42/26/21/776422621.db2.gz GQGVHGFEOLHKOE-UHFFFAOYSA-N 0 0 282.295 2.955 20 10 CFCDRN COc1ccc(N(CCO)CCc2ccccc2)cc1 ZINC001167881748 776715050 /nfs/dbraw/zinc/71/50/50/776715050.db2.gz RESUPZOXBDTBGO-UHFFFAOYSA-N 0 0 271.360 2.737 20 10 CFCDRN CC(C)Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196829 776749460 /nfs/dbraw/zinc/74/94/60/776749460.db2.gz IWILYLCWTFTGCI-UHFFFAOYSA-N 0 0 298.294 2.660 20 10 CFCDRN CO[C@H](C)CCOc1cc(N(C)C)ccc1N=O ZINC001231286427 777184989 /nfs/dbraw/zinc/18/49/89/777184989.db2.gz DFEUHLXFPYBVEF-SNVBAGLBSA-N 0 0 252.314 2.954 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001231448773 777221128 /nfs/dbraw/zinc/22/11/28/777221128.db2.gz BBQGDYHHYJMATP-YPMHNXCESA-N 0 0 275.348 2.712 20 10 CFCDRN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231455280 777222584 /nfs/dbraw/zinc/22/25/84/777222584.db2.gz MGNXMKQALDLKLQ-GHMZBOCLSA-N 0 0 263.337 2.568 20 10 CFCDRN CCC(CC)[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231453317 777222603 /nfs/dbraw/zinc/22/26/03/777222603.db2.gz GKTYHSNFEFMJKH-UHFFFAOYSA-N 0 0 251.326 2.711 20 10 CFCDRN C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231452048 777222742 /nfs/dbraw/zinc/22/27/42/777222742.db2.gz BQEISWDMCZPWHB-UHFFFAOYSA-N 0 0 277.345 2.784 20 10 CFCDRN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CCCC1 ZINC001231455504 777222775 /nfs/dbraw/zinc/22/27/75/777222775.db2.gz QHAOKGGGQZYJPA-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001231455915 777223996 /nfs/dbraw/zinc/22/39/96/777223996.db2.gz XLYDYYLCLPKJGF-SMDDNHRTSA-N 0 0 275.348 2.855 20 10 CFCDRN CC(=O)CN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231468512 777229292 /nfs/dbraw/zinc/22/92/92/777229292.db2.gz XKGVPTSFZONQPU-UHFFFAOYSA-N 0 0 299.370 2.992 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001231560746 777259677 /nfs/dbraw/zinc/25/96/77/777259677.db2.gz LKTWTAVLJKFQTD-PWSUYJOCSA-N 0 0 297.301 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC001231564969 777261299 /nfs/dbraw/zinc/26/12/99/777261299.db2.gz LURGUXXRQWZPPO-UHFFFAOYSA-N 0 0 285.290 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001231566328 777262209 /nfs/dbraw/zinc/26/22/09/777262209.db2.gz XXHHKCUKARXYOB-UHFFFAOYSA-N 0 0 275.348 2.857 20 10 CFCDRN Cc1cc(C)c(CN(C)Cc2nnc3ccccn32)c(O)c1 ZINC001231843323 777346792 /nfs/dbraw/zinc/34/67/92/777346792.db2.gz VVROBKZDJIOSCA-UHFFFAOYSA-N 0 0 296.374 2.684 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCCC(F)(F)C1 ZINC001231849570 777349887 /nfs/dbraw/zinc/34/98/87/777349887.db2.gz WETQIVAZKRGTNQ-UHFFFAOYSA-N 0 0 284.350 2.992 20 10 CFCDRN CC[NH+](CC)CCN(C)Cc1cccc(Cl)c1[O-] ZINC001231909261 777377931 /nfs/dbraw/zinc/37/79/31/777377931.db2.gz FBASLLHYCWGHFL-UHFFFAOYSA-N 0 0 270.804 2.819 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1CO ZINC001231909411 777378059 /nfs/dbraw/zinc/37/80/59/777378059.db2.gz MSYPFZKRMBWFJK-MFKMUULPSA-N 0 0 269.772 2.638 20 10 CFCDRN O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)O1 ZINC001231912850 777380678 /nfs/dbraw/zinc/38/06/78/777380678.db2.gz BKJCCMHIPCMAFK-HNNXBMFYSA-N 0 0 295.766 2.717 20 10 CFCDRN CCC[N@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC001231909709 777381242 /nfs/dbraw/zinc/38/12/42/777381242.db2.gz NWFSPOPDWBNYHC-UHFFFAOYSA-N 0 0 257.761 2.904 20 10 CFCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]12 ZINC001231912615 777381443 /nfs/dbraw/zinc/38/14/43/777381443.db2.gz RJCJKDCEFWNORG-IRUJWGPZSA-N 0 0 267.756 2.512 20 10 CFCDRN CCC[NH+]1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC001231914565 777382843 /nfs/dbraw/zinc/38/28/43/777382843.db2.gz OECVVHSJPJRZKP-ZIAGYGMSSA-N 0 0 294.826 2.819 20 10 CFCDRN C[N@H+](Cc1ccno1)Cc1cccc(Cl)c1[O-] ZINC001231914224 777382877 /nfs/dbraw/zinc/38/28/77/777382877.db2.gz IXEHQBWHIBEYGD-UHFFFAOYSA-N 0 0 252.701 2.666 20 10 CFCDRN CN(Cc1cnn(C(C)(C)C)c1)c1ccc(N)cc1 ZINC000696469220 777481473 /nfs/dbraw/zinc/48/14/73/777481473.db2.gz UCQLJYKKQYMOEF-UHFFFAOYSA-N 0 0 258.369 2.857 20 10 CFCDRN Oc1cc(O)c(CN2CCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232260988 777496512 /nfs/dbraw/zinc/49/65/12/777496512.db2.gz UPZCWFOLUKLHGR-LLVKDONJSA-N 0 0 295.688 2.930 20 10 CFCDRN COc1cc(O)c(CN2CCC[C@@H]2CF)cc1Cl ZINC001232271234 777501024 /nfs/dbraw/zinc/50/10/24/777501024.db2.gz SFPBFZVUTYQPFV-SNVBAGLBSA-N 0 0 273.735 2.988 20 10 CFCDRN COc1cccc(F)c1NCCc1cc(O)c(O)cc1O ZINC001168005535 777577388 /nfs/dbraw/zinc/57/73/88/777577388.db2.gz JINLTSPZUQYEJM-UHFFFAOYSA-N 0 0 293.294 2.606 20 10 CFCDRN Oc1cc(O)c(CCNc2ncccc2C(F)F)cc1O ZINC001168006431 777581705 /nfs/dbraw/zinc/58/17/05/777581705.db2.gz OMPGEHAWIZKKRV-UHFFFAOYSA-N 0 0 296.273 2.791 20 10 CFCDRN CN(Cc1ccc(F)cc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010197 777762287 /nfs/dbraw/zinc/76/22/87/777762287.db2.gz NGNRXVWJSIVKJZ-UHFFFAOYSA-N 0 0 277.295 2.575 20 10 CFCDRN Oc1cc(CN2CCC[C@@H]2c2cccnc2)cc(O)c1O ZINC001233010719 777764228 /nfs/dbraw/zinc/76/42/28/777764228.db2.gz UDCJXLIWTSJSIO-CYBMUJFWSA-N 0 0 286.331 2.536 20 10 CFCDRN CC1(C)CN(Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233014533 777764606 /nfs/dbraw/zinc/76/46/06/777764606.db2.gz UTHAJEXPIVNFIB-UHFFFAOYSA-N 0 0 287.306 2.671 20 10 CFCDRN C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCc2ccccc21 ZINC001233017012 777765975 /nfs/dbraw/zinc/76/59/75/777765975.db2.gz BZYGMRJRPILXNV-AWEZNQCLSA-N 0 0 285.343 2.923 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc(F)c1F ZINC001233076037 777789293 /nfs/dbraw/zinc/78/92/93/777789293.db2.gz KEAYKKMNIOBXNU-ZWNOBZJWSA-N 0 0 283.318 2.671 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001233332541 777890143 /nfs/dbraw/zinc/89/01/43/777890143.db2.gz OOBGSEDNSWMOJG-OAHLLOKOSA-N 0 0 283.318 2.815 20 10 CFCDRN CCO[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334884 777893336 /nfs/dbraw/zinc/89/33/36/777893336.db2.gz YIESXILKMKJLMB-JTQLQIEISA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC001233335425 777894762 /nfs/dbraw/zinc/89/47/62/777894762.db2.gz UTKPNNWAARNIRD-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN CCCCOC1CN(Cc2c(O)ccc(F)c2F)C1 ZINC001233334362 777895013 /nfs/dbraw/zinc/89/50/13/777895013.db2.gz CULWKPPCHQMMKA-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN CN1CC[C@@H]([N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418785 777943008 /nfs/dbraw/zinc/94/30/08/777943008.db2.gz WMYVCDLANXUSOG-LLVKDONJSA-N 0 0 288.313 2.547 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H](O)CC2)cccc1C(F)(F)F ZINC001233415805 777943290 /nfs/dbraw/zinc/94/32/90/777943290.db2.gz IVFHXMYXCKNJAL-LLVKDONJSA-N 0 0 289.297 2.758 20 10 CFCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418636 777943982 /nfs/dbraw/zinc/94/39/82/777943982.db2.gz PEXWNAYCEDBVRV-KOLCDFICSA-N 0 0 289.297 2.756 20 10 CFCDRN C[C@H]1CC(=O)CCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233451874 777958274 /nfs/dbraw/zinc/95/82/74/777958274.db2.gz CGADJHGWXKGBND-VIFPVBQESA-N 0 0 287.281 2.964 20 10 CFCDRN CN(Cc1cnccn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454299 777959136 /nfs/dbraw/zinc/95/91/36/777959136.db2.gz OZYPSGZHPMTGJT-UHFFFAOYSA-N 0 0 297.280 2.833 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1CCn2cncc2C1 ZINC001233454813 777960077 /nfs/dbraw/zinc/96/00/77/777960077.db2.gz KVTZMXUXIMYGCV-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCOC[C@@H]1C ZINC001233495955 777968434 /nfs/dbraw/zinc/96/84/34/777968434.db2.gz OAYDRSADZPYJLR-ZUZCIYMTSA-N 0 0 294.347 2.884 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](CC)COC ZINC001233497648 777968843 /nfs/dbraw/zinc/96/88/43/777968843.db2.gz QKMXEYSBQZKZQB-JTQLQIEISA-N 0 0 282.336 2.884 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCCOC1 ZINC001233497751 777971142 /nfs/dbraw/zinc/97/11/42/777971142.db2.gz QZVIMOVDVFKEJU-JTQLQIEISA-N 0 0 280.320 2.638 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3CCOC[C@H]3F)ccc21 ZINC001233601033 778006471 /nfs/dbraw/zinc/00/64/71/778006471.db2.gz FWTTWYALUJJWKD-UKRRQHHQSA-N 0 0 265.328 2.575 20 10 CFCDRN CCOC(=O)[C@H]1C[C@@H](Oc2ccc3c(c2)CCN3CC)C1 ZINC001233602440 778007936 /nfs/dbraw/zinc/00/79/36/778007936.db2.gz UZHNQEDLITUAIX-OTVXOJSOSA-N 0 0 289.375 2.790 20 10 CFCDRN CCN1CCc2cc(O[C@H]3CCOC[C@@H]3F)ccc21 ZINC001233601034 778008118 /nfs/dbraw/zinc/00/81/18/778008118.db2.gz FWTTWYALUJJWKD-ZFWWWQNUSA-N 0 0 265.328 2.575 20 10 CFCDRN Oc1c(CN2C[C@@H](F)[C@@H](F)C2)cccc1OC(F)(F)F ZINC001233727648 778055776 /nfs/dbraw/zinc/05/57/76/778055776.db2.gz NUJGXBDRJHPDON-DTORHVGOSA-N 0 0 297.223 2.783 20 10 CFCDRN C[C@H]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950235 778120112 /nfs/dbraw/zinc/12/01/12/778120112.db2.gz SXHGHQGTLNHYCP-DTWKUNHWSA-N 0 0 260.293 2.608 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)O ZINC000387386063 778233093 /nfs/dbraw/zinc/23/30/93/778233093.db2.gz ZEMALJJVGZEWDX-CPCISQLKSA-N 0 0 278.179 2.948 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1nccs1 ZINC001234475059 778233393 /nfs/dbraw/zinc/23/33/93/778233393.db2.gz COOWUXXZMLSQNC-MRVPVSSYSA-N 0 0 279.317 2.897 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCc2cccnc21 ZINC001234473335 778234129 /nfs/dbraw/zinc/23/41/29/778234129.db2.gz DCUMTEQGNSJFQV-AWEZNQCLSA-N 0 0 285.299 2.762 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001234476609 778235334 /nfs/dbraw/zinc/23/53/34/778235334.db2.gz NBOVOSNGTPMXLT-ISTVAULSSA-N 0 0 262.305 2.868 20 10 CFCDRN CCNC(=O)C[N@H+](C)Cc1cccc(-c2ccccc2)c1O ZINC001234992787 778347378 /nfs/dbraw/zinc/34/73/78/778347378.db2.gz RNQLZIHQWLWABZ-UHFFFAOYSA-N 0 0 298.386 2.627 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001142508893 778395120 /nfs/dbraw/zinc/39/51/20/778395120.db2.gz PAOKVGKMSIZDQD-ZUZCIYMTSA-N 0 0 283.318 2.671 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001142509103 778395644 /nfs/dbraw/zinc/39/56/44/778395644.db2.gz WXVKPIHKGCBFKL-NSHDSACASA-N 0 0 281.224 2.850 20 10 CFCDRN CCO[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520109 778399233 /nfs/dbraw/zinc/39/92/33/778399233.db2.gz BKLYCKMBEUCRCZ-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCc2occc2C1 ZINC001142527410 778402554 /nfs/dbraw/zinc/40/25/54/778402554.db2.gz UCCABEZRUGNWKO-UHFFFAOYSA-N 0 0 265.259 2.822 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534406 778403755 /nfs/dbraw/zinc/40/37/55/778403755.db2.gz IKKLVMCKLXZHOO-KOLCDFICSA-N 0 0 271.307 2.670 20 10 CFCDRN Cc1ncccc1/C=C\C(=O)N(C)c1cccnc1N(C)C ZINC001126896940 778530339 /nfs/dbraw/zinc/53/03/39/778530339.db2.gz DWEHKNLFTZJCDW-KTKRTIGZSA-N 0 0 296.374 2.527 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000031728424 778705911 /nfs/dbraw/zinc/70/59/11/778705911.db2.gz YFGHTGVGFHISHZ-CYBMUJFWSA-N 0 0 298.390 2.708 20 10 CFCDRN CCC[C@@H]1C[NH2+]CCN1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236133515 778708423 /nfs/dbraw/zinc/70/84/23/778708423.db2.gz XEOUTCKQIUHVBC-GFCCVEGCSA-N 0 0 298.814 2.628 20 10 CFCDRN CCC[C@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CC[NH2+]1 ZINC001236177547 778725477 /nfs/dbraw/zinc/72/54/77/778725477.db2.gz CGVPPKCWAZZCNW-LBPRGKRZSA-N 0 0 298.814 2.628 20 10 CFCDRN COc1cccc(O)c1Nc1ccncc1Cl ZINC001212157495 778772352 /nfs/dbraw/zinc/77/23/52/778772352.db2.gz NYXXGHFHOKPVRK-UHFFFAOYSA-N 0 0 250.685 2.615 20 10 CFCDRN Nc1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001236315138 778774042 /nfs/dbraw/zinc/77/40/42/778774042.db2.gz DCIDVOKPADOILI-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN O=C(N[C@@H]1CCCC2(CC2)C1)c1cccc(O)c1O ZINC000696165055 778856809 /nfs/dbraw/zinc/85/68/09/778856809.db2.gz VYXMCQKWYGQKMM-SNVBAGLBSA-N 0 0 261.321 2.550 20 10 CFCDRN Cc1cc(C)c(CN2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001231845604 778875443 /nfs/dbraw/zinc/87/54/43/778875443.db2.gz CFYSFVCOHNKZSQ-ZDUSSCGKSA-N 0 0 289.297 2.772 20 10 CFCDRN CCN(Cc1ccccc1O)Cc1nccnc1Cl ZINC001236622079 778897649 /nfs/dbraw/zinc/89/76/49/778897649.db2.gz SFLJLEINOWDZDF-UHFFFAOYSA-N 0 0 277.755 2.858 20 10 CFCDRN CC[C@H](F)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001120585009 778930451 /nfs/dbraw/zinc/93/04/51/778930451.db2.gz VRJMGSYZHCJVCK-AWEZNQCLSA-N 0 0 266.360 2.897 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001236790283 778937012 /nfs/dbraw/zinc/93/70/12/778937012.db2.gz UYPFEOBVVKGFDS-UHFFFAOYSA-N 0 0 275.392 2.957 20 10 CFCDRN CCc1ccc(CN2CCO[C@H](c3ccccn3)C2)c(O)c1 ZINC001236787287 778937218 /nfs/dbraw/zinc/93/72/18/778937218.db2.gz ASPJWUOAVGXGHY-SFHVURJKSA-N 0 0 298.386 2.923 20 10 CFCDRN CCc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001236793496 778938587 /nfs/dbraw/zinc/93/85/87/778938587.db2.gz XBZXCPCDHYKANG-UHFFFAOYSA-N 0 0 298.386 2.656 20 10 CFCDRN COc1cc(O)c(CN2CCn3cccc3C2)c(Cl)c1 ZINC001236798814 778943467 /nfs/dbraw/zinc/94/34/67/778943467.db2.gz IMVFNNSLSOOIJX-UHFFFAOYSA-N 0 0 292.766 2.872 20 10 CFCDRN COc1cc(O)c(CN(C)Cc2ccon2)c(Cl)c1 ZINC001236800655 778943881 /nfs/dbraw/zinc/94/38/81/778943881.db2.gz ARHXSVDQNVMBNF-UHFFFAOYSA-N 0 0 282.727 2.674 20 10 CFCDRN COC[C@H]1CCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236805222 778946220 /nfs/dbraw/zinc/94/62/20/778946220.db2.gz XROGGFUDBFYYQK-SECBINFHSA-N 0 0 276.163 2.920 20 10 CFCDRN COc1cc(C)c(C[N@H+]2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001236807330 778946530 /nfs/dbraw/zinc/94/65/30/778946530.db2.gz FXMZBYDGUHVWCD-LLVKDONJSA-N 0 0 277.364 2.510 20 10 CFCDRN COc1cc(O)c(CN2CC(C(F)F)C2)c(Cl)c1 ZINC001236806201 778946608 /nfs/dbraw/zinc/94/66/08/778946608.db2.gz QCPZAEMKAAYBRB-UHFFFAOYSA-N 0 0 277.698 2.751 20 10 CFCDRN COc1cc(C)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001236809230 778948265 /nfs/dbraw/zinc/94/82/65/778948265.db2.gz UVQUQJLTVIDIPZ-MFKMUULPSA-N 0 0 283.318 2.796 20 10 CFCDRN COCC1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236825642 778955377 /nfs/dbraw/zinc/95/53/77/778955377.db2.gz AQUFMKMWUWTKFS-UHFFFAOYSA-N 0 0 257.333 2.624 20 10 CFCDRN CC(C)c1ccc(CN2C[C@@H](CO)CC(F)(F)C2)c(O)c1 ZINC001237046002 778997784 /nfs/dbraw/zinc/99/77/84/778997784.db2.gz OYBRCAQZQXNPHY-LBPRGKRZSA-N 0 0 299.361 2.965 20 10 CFCDRN CC(C)c1ccc(CN2CC(O)(C(F)(F)F)C2)c(O)c1 ZINC001237046965 778999135 /nfs/dbraw/zinc/99/91/35/778999135.db2.gz XWQOIZFKWVFTAR-UHFFFAOYSA-N 0 0 289.297 2.625 20 10 CFCDRN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001237049760 779000950 /nfs/dbraw/zinc/00/09/50/779000950.db2.gz IXRBPWCRAHVTFC-FPMFFAJLSA-N 0 0 265.328 2.581 20 10 CFCDRN COc1cc(O)c(CN2CC=CC2)c(Br)c1 ZINC001237062909 779002630 /nfs/dbraw/zinc/00/26/30/779002630.db2.gz OZXYYPQNYGSZAW-UHFFFAOYSA-N 0 0 284.153 2.535 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCO1 ZINC001237078564 779006258 /nfs/dbraw/zinc/00/62/58/779006258.db2.gz USFHRCUZGKTGQT-MRVPVSSYSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078361 779006351 /nfs/dbraw/zinc/00/63/51/779006351.db2.gz QAMABOSWIZPMKX-LDYMZIIASA-N 0 0 290.190 2.902 20 10 CFCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CCOC1 ZINC001237083057 779006576 /nfs/dbraw/zinc/00/65/76/779006576.db2.gz XOBJHVFRQFXOEE-MRVPVSSYSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078358 779007013 /nfs/dbraw/zinc/00/70/13/779007013.db2.gz QAMABOSWIZPMKX-GZMMTYOYSA-N 0 0 290.190 2.902 20 10 CFCDRN CC1(F)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237117365 779015807 /nfs/dbraw/zinc/01/58/07/779015807.db2.gz PBQMUACCZZSFQQ-UHFFFAOYSA-N 0 0 279.233 2.835 20 10 CFCDRN CN(Cc1cnn(C)c1)Cc1c(O)ccc(F)c1Cl ZINC001237122052 779017428 /nfs/dbraw/zinc/01/74/28/779017428.db2.gz RFDDOMHVNKITBS-UHFFFAOYSA-N 0 0 283.734 2.550 20 10 CFCDRN C[N@H+](Cc1c(O)ccc(F)c1Cl)[C@@H]1CCCOC1 ZINC001237125289 779018536 /nfs/dbraw/zinc/01/85/36/779018536.db2.gz CEUJYJUCSIKMLX-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCSCC1 ZINC001237125035 779020086 /nfs/dbraw/zinc/02/00/86/779020086.db2.gz VHPNDTGKGFAQPG-UHFFFAOYSA-N 0 0 261.749 2.734 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1CC(C(F)F)C1 ZINC001237126282 779020976 /nfs/dbraw/zinc/02/09/76/779020976.db2.gz XKNHNJAHVBVWBW-UHFFFAOYSA-N 0 0 297.223 2.988 20 10 CFCDRN CN(Cc1ccon1)Cc1c(O)ccc(F)c1Cl ZINC001237127251 779021758 /nfs/dbraw/zinc/02/17/58/779021758.db2.gz XSGLURQCQKTXQA-UHFFFAOYSA-N 0 0 270.691 2.805 20 10 CFCDRN COC1(C)CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237138307 779022391 /nfs/dbraw/zinc/02/23/91/779022391.db2.gz WVVYYTPIIZCWFT-UHFFFAOYSA-N 0 0 275.270 2.632 20 10 CFCDRN O=C1CCCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237136963 779023310 /nfs/dbraw/zinc/02/33/10/779023310.db2.gz XZPRFENDSQOLCA-UHFFFAOYSA-N 0 0 287.281 2.966 20 10 CFCDRN CO[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1F ZINC001237135676 779023565 /nfs/dbraw/zinc/02/35/65/779023565.db2.gz KOZUNIQWQXZZTC-JQWIXIFHSA-N 0 0 293.260 2.580 20 10 CFCDRN CCN1CCc2cc(O[C@@H](C)CC(OC)OC)ccc21 ZINC001233600672 779058326 /nfs/dbraw/zinc/05/83/26/779058326.db2.gz AATUYOGOFRMKRM-LBPRGKRZSA-N 0 0 279.380 2.845 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418254 779104544 /nfs/dbraw/zinc/10/45/44/779104544.db2.gz XJPWXLPRCNLSDD-IINYFYTJSA-N 0 0 298.789 2.759 20 10 CFCDRN Cc1cccc(O)c1CN1CCOC[C@H]1c1cccnc1 ZINC001237491095 779119517 /nfs/dbraw/zinc/11/95/17/779119517.db2.gz GSNZCPZGHRDAGV-INIZCTEOSA-N 0 0 284.359 2.669 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(COC2)CC1 ZINC001237618598 779145586 /nfs/dbraw/zinc/14/55/86/779145586.db2.gz GNUSTSUGFPPKQQ-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237620253 779145745 /nfs/dbraw/zinc/14/57/45/779145745.db2.gz LXTZPTQCZKOWAX-ZDUSSCGKSA-N 0 0 298.789 2.855 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237624638 779147040 /nfs/dbraw/zinc/14/70/40/779147040.db2.gz XDIZCUKCXHZURR-CABZTGNLSA-N 0 0 297.757 2.986 20 10 CFCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622600 779147228 /nfs/dbraw/zinc/14/72/28/779147228.db2.gz VGASCDIKHLAZTF-GZMMTYOYSA-N 0 0 273.735 2.530 20 10 CFCDRN CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237690695 779162928 /nfs/dbraw/zinc/16/29/28/779162928.db2.gz ZQVNQHKIRBHRMO-CYBMUJFWSA-N 0 0 269.772 2.965 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798212 779180190 /nfs/dbraw/zinc/18/01/90/779180190.db2.gz AQNHOEUYVJCGLS-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@H](C)C1 ZINC001237801254 779181304 /nfs/dbraw/zinc/18/13/04/779181304.db2.gz GBRXRYYELVSYIO-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN CC[N@H+](CCn1ccnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237802761 779182780 /nfs/dbraw/zinc/18/27/80/779182780.db2.gz OUUMMBOEDDEUQG-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN CC(C)[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807511 779184390 /nfs/dbraw/zinc/18/43/90/779184390.db2.gz KWYOFBSGRLTDKV-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CO[C@H]([C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000388262370 779193828 /nfs/dbraw/zinc/19/38/28/779193828.db2.gz DKQLNTIBIBPWKU-YMTOWFKASA-N 0 0 269.772 2.949 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237935206 779211466 /nfs/dbraw/zinc/21/14/66/779211466.db2.gz RIRJVMCETLVJGG-QMMMGPOBSA-N 0 0 271.719 2.596 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000699248772 779228223 /nfs/dbraw/zinc/22/82/23/779228223.db2.gz XGGXOHOUGQCCDH-QWRGUYRKSA-N 0 0 263.312 2.576 20 10 CFCDRN CC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001235768467 779372355 /nfs/dbraw/zinc/37/23/55/779372355.db2.gz GXNUUAMHMHCEAF-LLVKDONJSA-N 0 0 289.206 2.883 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(F)cn2)s1 ZINC001272643699 779379426 /nfs/dbraw/zinc/37/94/26/779379426.db2.gz IIWUROBXPQPKLO-GQCTYLIASA-N 0 0 277.324 2.662 20 10 CFCDRN CC(C)C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC001235882434 779389029 /nfs/dbraw/zinc/38/90/29/779389029.db2.gz RNUWUHOHNNLPJU-ZDUSSCGKSA-N 0 0 282.815 2.866 20 10 CFCDRN CC(C)Oc1ncc(Cl)cc1-c1ccn(C)c(=O)c1 ZINC001239319758 779512366 /nfs/dbraw/zinc/51/23/66/779512366.db2.gz YVHHNFKSBABPBQ-UHFFFAOYSA-N 0 0 278.739 2.888 20 10 CFCDRN CNc1ccc(-c2cc(=O)n(C)c3ccccc23)c(F)n1 ZINC001239436440 779565748 /nfs/dbraw/zinc/56/57/48/779565748.db2.gz LTNOYMDSWJMKOP-UHFFFAOYSA-N 0 0 283.306 2.781 20 10 CFCDRN COc1ccc(CN2CCC[C@H]([NH+](C)C)C2)c([O-])c1Cl ZINC001236810939 779642271 /nfs/dbraw/zinc/64/22/71/779642271.db2.gz BVKGDGNIGLXHOO-LBPRGKRZSA-N 0 0 298.814 2.580 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237622323 779700776 /nfs/dbraw/zinc/70/07/76/779700776.db2.gz QODWOAPRGUACPA-RTCCRHLQSA-N 0 0 273.710 2.832 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC(=O)[C@H](F)C2)c1O ZINC001237680371 779705761 /nfs/dbraw/zinc/70/57/61/779705761.db2.gz AJPCFCIWLXLHJB-GFCCVEGCSA-N 0 0 285.746 2.857 20 10 CFCDRN Cc1cnc(C)c(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001239901832 779852823 /nfs/dbraw/zinc/85/28/23/779852823.db2.gz YTAWNWUHNBXUNC-UHFFFAOYSA-N 0 0 279.347 2.864 20 10 CFCDRN COc1c(F)ccc(-c2noc(-c3csnn3)n2)c1F ZINC001212362684 779994223 /nfs/dbraw/zinc/99/42/23/779994223.db2.gz WWCLBHUPGSEQHN-UHFFFAOYSA-N 0 0 296.258 2.542 20 10 CFCDRN FC(F)(F)c1ccncc1-c1noc(-c2csnn2)n1 ZINC001212364447 779998534 /nfs/dbraw/zinc/99/85/34/779998534.db2.gz PPDUAKQXXXWQHW-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN c1snnc1-c1nc(-c2cncc3ccccc32)no1 ZINC001212364361 779998674 /nfs/dbraw/zinc/99/86/74/779998674.db2.gz NAINTHJIWZRIHV-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN c1n[nH]cc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001240240702 780021724 /nfs/dbraw/zinc/02/17/24/780021724.db2.gz XHBBKKGXPOIQPL-UHFFFAOYSA-N 0 0 263.304 2.561 20 10 CFCDRN Cc1snnc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001212405390 780094660 /nfs/dbraw/zinc/09/46/60/780094660.db2.gz RESMIVIMMMNTAN-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN Cc1snnc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001212405126 780095132 /nfs/dbraw/zinc/09/51/32/780095132.db2.gz IOPYTBMVLDRNRS-UHFFFAOYSA-N 0 0 299.359 2.837 20 10 CFCDRN Cc1c(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cnn1C ZINC001240382726 780126075 /nfs/dbraw/zinc/12/60/75/780126075.db2.gz OPAGWRWUJFKVAA-UHFFFAOYSA-N 0 0 297.333 2.745 20 10 CFCDRN CC(C)Cn1ccc(-c2cnc3[nH]ccc3c2)cc1=O ZINC001240393897 780136660 /nfs/dbraw/zinc/13/66/60/780136660.db2.gz DBTDPUMZLZVECF-UHFFFAOYSA-N 0 0 267.332 2.999 20 10 CFCDRN Cc1cc2cc(-c3ncnc4c3ccn4C)cnc2[nH]1 ZINC001240467339 780184406 /nfs/dbraw/zinc/18/44/06/780184406.db2.gz FXXYHOSCSHCUNG-UHFFFAOYSA-N 0 0 263.304 2.820 20 10 CFCDRN COc1ncc(-c2cccc3c2cc(C)n3C)cn1 ZINC001239849704 780203697 /nfs/dbraw/zinc/20/36/97/780203697.db2.gz UXWPBKJPAVIFMD-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(CC3CC3)c2)n1 ZINC001240511863 780217062 /nfs/dbraw/zinc/21/70/62/780217062.db2.gz OOBMVYKGAPZIMV-UHFFFAOYSA-N 0 0 267.336 2.550 20 10 CFCDRN Cn1ccc2ccc(-c3cnc4c(c3)OCC(=O)N4C)cc21 ZINC001240573835 780266318 /nfs/dbraw/zinc/26/63/18/780266318.db2.gz LUEURYDSSQTYHV-UHFFFAOYSA-N 0 0 293.326 2.596 20 10 CFCDRN COCCOc1cnc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576143 780267083 /nfs/dbraw/zinc/26/70/83/780267083.db2.gz NCDJMTHVZSIPQQ-UHFFFAOYSA-N 0 0 283.331 2.661 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn([C@H]3CCCCO3)c2)n1 ZINC001240672746 780346103 /nfs/dbraw/zinc/34/61/03/780346103.db2.gz DPZCWIVTSYMUAG-CQSZACIVSA-N 0 0 297.362 2.839 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnc(C4CC4)nc3)cc21 ZINC001240687304 780360500 /nfs/dbraw/zinc/36/05/00/780360500.db2.gz YIIJZXDLIVIMOZ-UHFFFAOYSA-N 0 0 277.327 2.873 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)OCC(=O)N2C ZINC001240870536 780489900 /nfs/dbraw/zinc/48/99/00/780489900.db2.gz WLGFMBDQSPAHPF-UHFFFAOYSA-N 0 0 293.326 2.596 20 10 CFCDRN CC(C)Cn1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001240892457 780501625 /nfs/dbraw/zinc/50/16/25/780501625.db2.gz YNCZPUMYJQRMIS-UHFFFAOYSA-N 0 0 299.296 2.930 20 10 CFCDRN CCOc1ccc2cc(-c3ccn(C)c(=O)c3)cnc2c1 ZINC001240991223 780577517 /nfs/dbraw/zinc/57/75/17/780577517.db2.gz DQCSIKIWFQYROA-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN Cc1ncc2ccccc2c1-c1ccn(C)c(=O)c1 ZINC001240998318 780581613 /nfs/dbraw/zinc/58/16/13/780581613.db2.gz RTQHCIIZIJRSPA-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cc1c(-c2ccncc2)cncc1-c1ccn(C)c(=O)c1 ZINC001240998391 780581860 /nfs/dbraw/zinc/58/18/60/780581860.db2.gz UDPNDGODWZAOSQ-UHFFFAOYSA-N 0 0 277.327 2.818 20 10 CFCDRN Cn1c2ccccc2c(-c2ccccc2N)cc1=O ZINC001241079447 780629149 /nfs/dbraw/zinc/62/91/49/780629149.db2.gz QEYCHVKWGWNAFM-UHFFFAOYSA-N 0 0 250.301 2.788 20 10 CFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ncccc1F ZINC001128604556 780664002 /nfs/dbraw/zinc/66/40/02/780664002.db2.gz XORUFKBZRXXOQP-UHFFFAOYSA-N 0 0 292.657 2.663 20 10 CFCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000700716212 780713091 /nfs/dbraw/zinc/71/30/91/780713091.db2.gz QTJXAUMFXLUYIM-SKDRFNHKSA-N 0 0 273.323 2.821 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N(C)C ZINC000700764966 780722519 /nfs/dbraw/zinc/72/25/19/780722519.db2.gz NQFSVHJTKRZODN-LBPRGKRZSA-N 0 0 286.366 2.736 20 10 CFCDRN COc1nccc(C2=CCN(c3ccccc3)CC2)c1N ZINC001241351908 780803502 /nfs/dbraw/zinc/80/35/02/780803502.db2.gz IOVKDAGMGRGSMT-UHFFFAOYSA-N 0 0 281.359 2.966 20 10 CFCDRN COc1cc(Cl)cc(CN2CC[C@@H](F)C2)c1O ZINC000701655980 780823103 /nfs/dbraw/zinc/82/31/03/780823103.db2.gz DVXGNUNIGNGVIU-SNVBAGLBSA-N 0 0 259.708 2.598 20 10 CFCDRN CC(C)Cn1ccc(-c2ccc(N(C)C)nc2)cc1=O ZINC001241372457 780826737 /nfs/dbraw/zinc/82/67/37/780826737.db2.gz OVCPFMJEQMRFPQ-UHFFFAOYSA-N 0 0 271.364 2.632 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCCSC2)ccc(F)c1F ZINC000703257462 781005765 /nfs/dbraw/zinc/00/57/65/781005765.db2.gz PWGUUDFDAIRBQL-SECBINFHSA-N 0 0 259.321 2.656 20 10 CFCDRN CSCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259851 781000428 /nfs/dbraw/zinc/00/04/28/781000428.db2.gz JTQHZMZWSNIWNO-QMMMGPOBSA-N 0 0 261.337 2.902 20 10 CFCDRN [O-]c1c(C[NH2+]C2Cc3ccccc3C2)ccc(F)c1F ZINC000703233124 781000530 /nfs/dbraw/zinc/00/05/30/781000530.db2.gz KDYYYWKESZRNJM-UHFFFAOYSA-N 0 0 275.298 2.927 20 10 CFCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703261000 781000975 /nfs/dbraw/zinc/00/09/75/781000975.db2.gz MZZNUJCSMZICOP-JTQLQIEISA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cccc3c[nH]nc32)n1 ZINC001241620982 781023712 /nfs/dbraw/zinc/02/37/12/781023712.db2.gz WRFJIFBSSYGLJN-UHFFFAOYSA-N 0 0 263.304 2.820 20 10 CFCDRN COc1cc(C)c(-c2ccnc3c2ccn3C)cn1 ZINC001241772858 781121671 /nfs/dbraw/zinc/12/16/71/781121671.db2.gz RLXSREHOCYPZQJ-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Cn1ccc2c1cccc2-c1cncc(-n2ccnc2)n1 ZINC001241819961 781142969 /nfs/dbraw/zinc/14/29/69/781142969.db2.gz GNTALBUOEOVSIN-UHFFFAOYSA-N 0 0 275.315 2.821 20 10 CFCDRN CCOC(=O)Cc1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241821550 781144883 /nfs/dbraw/zinc/14/48/83/781144883.db2.gz HSSQYXQNHFFQQD-UHFFFAOYSA-N 0 0 295.342 2.741 20 10 CFCDRN C[C@@H](NCc1c(O)cccc1Br)C(F)F ZINC000706868870 781206844 /nfs/dbraw/zinc/20/68/44/781206844.db2.gz TVLYXHBGWQNJJI-ZCFIWIBFSA-N 0 0 280.112 2.898 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000708414363 781273450 /nfs/dbraw/zinc/27/34/50/781273450.db2.gz RIOFNFPNZGTFPV-SKDRFNHKSA-N 0 0 271.307 2.670 20 10 CFCDRN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414216 781273860 /nfs/dbraw/zinc/27/38/60/781273860.db2.gz PKUOOBTWVOFSDV-BXKDBHETSA-N 0 0 271.307 2.670 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000708445666 781274518 /nfs/dbraw/zinc/27/45/18/781274518.db2.gz VYZFQHPHAXITBZ-SECBINFHSA-N 0 0 273.348 2.903 20 10 CFCDRN CC1(C)SC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708518051 781292436 /nfs/dbraw/zinc/29/24/36/781292436.db2.gz YVGMMUWPPHMRCK-JTQLQIEISA-N 0 0 259.321 2.654 20 10 CFCDRN CO[C@H]([C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517684 781292699 /nfs/dbraw/zinc/29/26/99/781292699.db2.gz RXHJYMMRFPEOMM-XLKFXECMSA-N 0 0 271.307 2.574 20 10 CFCDRN CCC[C@H](CCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708536301 781292746 /nfs/dbraw/zinc/29/27/46/781292746.db2.gz YYYVLSCOTADIRB-SNVBAGLBSA-N 0 0 273.323 2.559 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(F)F ZINC000708517878 781292949 /nfs/dbraw/zinc/29/29/49/781292949.db2.gz XBDPFPIIVHCGHJ-NSHDSACASA-N 0 0 263.234 2.805 20 10 CFCDRN C[C@@H]1CC([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000708556839 781293836 /nfs/dbraw/zinc/29/38/36/781293836.db2.gz YMTYYKVJONZPOY-RKDXNWHRSA-N 0 0 271.307 2.716 20 10 CFCDRN CCOC(=O)c1cnc(Sc2nccn2CC)s1 ZINC000709754803 781306805 /nfs/dbraw/zinc/30/68/05/781306805.db2.gz MQQNKAASWHQHLM-UHFFFAOYSA-N 0 0 283.378 2.687 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](CF)C2)ccc(F)c1F ZINC000711497196 781446519 /nfs/dbraw/zinc/44/65/19/781446519.db2.gz KGRJTCVUOSDIFO-VIFPVBQESA-N 0 0 259.271 2.852 20 10 CFCDRN CC(C)n1cc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001242438555 781504485 /nfs/dbraw/zinc/50/44/85/781504485.db2.gz FUINNSSREOUCIM-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN CCOc1cncc(-c2ccn(CC(C)C)c(=O)c2)c1 ZINC001242659100 781676853 /nfs/dbraw/zinc/67/68/53/781676853.db2.gz FFQVBLXEYCHQSY-UHFFFAOYSA-N 0 0 272.348 2.965 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn3ccccc23)n1 ZINC001242964997 781885157 /nfs/dbraw/zinc/88/51/57/781885157.db2.gz ZLNXZDPVIZBJMJ-UHFFFAOYSA-N 0 0 263.304 2.591 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000345269575 290625494 /nfs/dbraw/zinc/62/54/94/290625494.db2.gz PYVBBOYDSMLQKV-STQMWFEESA-N 0 0 288.391 2.914 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295326955 290636358 /nfs/dbraw/zinc/63/63/58/290636358.db2.gz TUTWVRVCRRLAKO-KYZUINATSA-N 0 0 267.300 2.545 20 10 CFCDRN CCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)[nH]n1 ZINC000352128390 529517965 /nfs/dbraw/zinc/51/79/65/529517965.db2.gz DEBVHUAFKSBXBV-UHFFFAOYSA-N 0 0 296.374 2.702 20 10 CFCDRN COc1cccc(CNC(=O)CCCC(C)C)c1O ZINC000295026039 199306884 /nfs/dbraw/zinc/30/68/84/199306884.db2.gz HXAQLFDUHFHMAA-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1cccc(CNc2cc(C)c([N+](=O)[O-])cn2)c1O ZINC000074746821 347030375 /nfs/dbraw/zinc/03/03/75/347030375.db2.gz VIGHZXWUNVXAMI-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCc2ccccc2)cc1 ZINC000031726688 346296325 /nfs/dbraw/zinc/29/63/25/346296325.db2.gz USZAUIUKVFOSBH-UHFFFAOYSA-N 0 0 297.402 2.795 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)[nH]n1 ZINC000044944937 346401351 /nfs/dbraw/zinc/40/13/51/346401351.db2.gz YLEKRDXBNNZFIQ-UHFFFAOYSA-N 0 0 286.379 2.529 20 10 CFCDRN C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646597 346633709 /nfs/dbraw/zinc/63/37/09/346633709.db2.gz LGHOSOLTUADZAX-LBPRGKRZSA-N 0 0 293.386 2.976 20 10 CFCDRN COc1cccc(CNc2nccc(C(F)(F)F)n2)c1O ZINC000066812706 346780658 /nfs/dbraw/zinc/78/06/58/346780658.db2.gz WQNJDQSBUFTKGS-UHFFFAOYSA-N 0 0 299.252 2.822 20 10 CFCDRN CC1(C)CCC[C@H]1NC(=O)NCc1ccccc1O ZINC000078363099 347246708 /nfs/dbraw/zinc/24/67/08/347246708.db2.gz JMYDNHYVYWULHC-CYBMUJFWSA-N 0 0 262.353 2.770 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/C2CC2)cc1 ZINC000079366782 347300766 /nfs/dbraw/zinc/30/07/66/347300766.db2.gz NFGULEXNICVNFZ-DHZHZOJOSA-N 0 0 258.365 2.677 20 10 CFCDRN Fc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000084484723 347465620 /nfs/dbraw/zinc/46/56/20/347465620.db2.gz YBJZWHTVAJYQND-UHFFFAOYSA-N 0 0 287.338 2.669 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccccc1O ZINC000088348278 347502205 /nfs/dbraw/zinc/50/22/05/347502205.db2.gz AVHHXFBGLBAMOO-ZDUSSCGKSA-N 0 0 279.380 2.850 20 10 CFCDRN Cc1cc([N+](=O)[O-])cnc1Sc1nccs1 ZINC000092621821 347635254 /nfs/dbraw/zinc/63/52/54/347635254.db2.gz XBOONMGRJZYONI-UHFFFAOYSA-N 0 0 253.308 2.906 20 10 CFCDRN COc1cccc(CNc2nc(C(C)C)ns2)c1O ZINC000092649014 347636575 /nfs/dbraw/zinc/63/65/75/347636575.db2.gz IXZMMGSFMFSHMA-UHFFFAOYSA-N 0 0 279.365 2.988 20 10 CFCDRN COc1cccc(CN(CC(F)F)C(C)C)c1O ZINC000092045277 347607904 /nfs/dbraw/zinc/60/79/04/347607904.db2.gz VNVAOJUXARXCII-UHFFFAOYSA-N 0 0 259.296 2.876 20 10 CFCDRN Cc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000267352422 540094395 /nfs/dbraw/zinc/09/43/95/540094395.db2.gz MDVJBFKRXWIKRI-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN C[C@H]([NH2+]C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405818 299271089 /nfs/dbraw/zinc/27/10/89/299271089.db2.gz OHYWIECZLJSHAG-VIFPVBQESA-N 0 0 250.298 2.894 20 10 CFCDRN CC(C)(CO)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294759434 199170002 /nfs/dbraw/zinc/17/00/02/199170002.db2.gz IYLSXGUKVDGEHL-UHFFFAOYSA-N 0 0 275.751 2.683 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)c2cccnc2)cc1Cl ZINC000296805270 200003036 /nfs/dbraw/zinc/00/30/36/200003036.db2.gz PLRLCENDPQDVKP-AWEZNQCLSA-N 0 0 292.766 2.913 20 10 CFCDRN Nc1ccc(CNC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000297337954 200154099 /nfs/dbraw/zinc/15/40/99/200154099.db2.gz YFPJIAVRMPEUOY-UHFFFAOYSA-N 0 0 256.349 2.631 20 10 CFCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000297407430 200179466 /nfs/dbraw/zinc/17/94/66/200179466.db2.gz SWZMQWNHELFYJJ-JQWIXIFHSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273558617 299307115 /nfs/dbraw/zinc/30/71/15/299307115.db2.gz HOXYNCUDRHIBSR-COPLHBTASA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)c(F)c1[O-] ZINC000187796301 299395913 /nfs/dbraw/zinc/39/59/13/299395913.db2.gz UFACEQNTWLAMKW-WCBMZHEXSA-N 0 0 293.317 2.602 20 10 CFCDRN CC(C)CN(CC(C)C)C(=O)Cc1ccc(N)cc1 ZINC000036195726 372566745 /nfs/dbraw/zinc/56/67/45/372566745.db2.gz XIXXHACFXSTXPO-UHFFFAOYSA-N 0 0 262.397 2.952 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000042828407 372960861 /nfs/dbraw/zinc/96/08/61/372960861.db2.gz IEFAWWVQMRGIGK-TZMCWYRMSA-N 0 0 260.381 2.754 20 10 CFCDRN Cc1noc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000065597472 373893684 /nfs/dbraw/zinc/89/36/84/373893684.db2.gz KXABOKSVNBNZBY-UHFFFAOYSA-N 0 0 295.289 2.932 20 10 CFCDRN CN(C)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000097929411 375587924 /nfs/dbraw/zinc/58/79/24/375587924.db2.gz IBRHJORLTOVXAA-UHFFFAOYSA-N 0 0 268.788 2.620 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000273364157 284566083 /nfs/dbraw/zinc/56/60/83/284566083.db2.gz AXIVCQRVAXWMCK-JTQLQIEISA-N 0 0 297.420 2.971 20 10 CFCDRN CC[C@@H](SC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000123952192 376998883 /nfs/dbraw/zinc/99/88/83/376998883.db2.gz DGZZNPMIXDSJEN-CYBMUJFWSA-N 0 0 266.410 2.510 20 10 CFCDRN CCN1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000124656718 377074682 /nfs/dbraw/zinc/07/46/82/377074682.db2.gz ZFSNJXHEWNKOFB-UHFFFAOYSA-N 0 0 268.788 2.620 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCCO1 ZINC000124739700 377082083 /nfs/dbraw/zinc/08/20/83/377082083.db2.gz UVCONCLFOJIPBA-LLVKDONJSA-N 0 0 255.745 2.704 20 10 CFCDRN FC(F)Oc1ccc2c(c1)CCCN2CCC1OCCO1 ZINC000124814765 377092325 /nfs/dbraw/zinc/09/23/25/377092325.db2.gz KXXUQTQLIYQJIZ-UHFFFAOYSA-N 0 0 299.317 2.804 20 10 CFCDRN CC(C)(C)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126372732 377223849 /nfs/dbraw/zinc/22/38/49/377223849.db2.gz IHQUXIFOJVIGRD-UHFFFAOYSA-N 0 0 277.364 2.996 20 10 CFCDRN Cc1cccc2c1C(=O)N[C@H](c1ccc3c(c1)CCN3C)N2 ZINC000130186361 377517985 /nfs/dbraw/zinc/51/79/85/377517985.db2.gz WREYBSRVKBOGRC-QGZVFWFLSA-N 0 0 293.370 2.841 20 10 CFCDRN CC(C)N(Cc1cc2c(cc1O)OCO2)CC(F)F ZINC000130876431 377624723 /nfs/dbraw/zinc/62/47/23/377624723.db2.gz HEMUWOAKRRTZAZ-UHFFFAOYSA-N 0 0 273.279 2.596 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C(C)C)n2)c(OC)c1 ZINC000131638586 377737833 /nfs/dbraw/zinc/73/78/33/377737833.db2.gz MPEWJYNDAMBQKZ-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCC[C@@H](C)C2)cc1F ZINC000131436730 377711147 /nfs/dbraw/zinc/71/11/47/377711147.db2.gz CIUDVAJLCMHBAP-GFCCVEGCSA-N 0 0 294.370 2.529 20 10 CFCDRN CNc1c(Cl)ncnc1NCc1ccc(N(C)C)cc1 ZINC000136000007 378175115 /nfs/dbraw/zinc/17/51/15/378175115.db2.gz MQFNGHSOQXFTKB-UHFFFAOYSA-N 0 0 291.786 2.850 20 10 CFCDRN CN(C(=O)/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000158467086 378669748 /nfs/dbraw/zinc/66/97/48/378669748.db2.gz ABYNYPNWNCHGSJ-BQYQJAHWSA-N 0 0 283.287 2.666 20 10 CFCDRN CCN(Cc1cc(Br)ccc1O)C(C)=O ZINC000175844107 380142879 /nfs/dbraw/zinc/14/28/79/380142879.db2.gz LVQQOHGJMDWBMM-UHFFFAOYSA-N 0 0 272.142 2.523 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000175665723 380108530 /nfs/dbraw/zinc/10/85/30/380108530.db2.gz IPDQSUYFRPUTBB-IINYFYTJSA-N 0 0 295.354 2.733 20 10 CFCDRN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000175665743 380109389 /nfs/dbraw/zinc/10/93/89/380109389.db2.gz IPDQSUYFRPUTBB-HZMBPMFUSA-N 0 0 295.354 2.733 20 10 CFCDRN CC[C@@H](C)NC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000177072142 380301008 /nfs/dbraw/zinc/30/10/08/380301008.db2.gz INPOZEBAUJQRQZ-SNVBAGLBSA-N 0 0 284.787 2.700 20 10 CFCDRN CS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000177686753 380367393 /nfs/dbraw/zinc/36/73/93/380367393.db2.gz RZQQHLMFAGOXJQ-QWRGUYRKSA-N 0 0 295.404 2.810 20 10 CFCDRN Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000177412744 380340231 /nfs/dbraw/zinc/34/02/31/380340231.db2.gz GZVAMMQYLSTENS-CYBMUJFWSA-N 0 0 286.375 2.547 20 10 CFCDRN Oc1ccc(F)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529666556 383745424 /nfs/dbraw/zinc/74/54/24/383745424.db2.gz VWBCYXNFJAOYLB-UHFFFAOYSA-N 0 0 299.349 2.757 20 10 CFCDRN CCN(CC)C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178195569 380419803 /nfs/dbraw/zinc/41/98/03/380419803.db2.gz KGABCRJBAUAHHN-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CCN(CC(C)C)C(=O)c1ccc(C)c(O)c1O ZINC000179424792 380541595 /nfs/dbraw/zinc/54/15/95/380541595.db2.gz TYMWEGVZAHQYKY-UHFFFAOYSA-N 0 0 251.326 2.524 20 10 CFCDRN Cc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)c(O)c1O ZINC000179457080 380545349 /nfs/dbraw/zinc/54/53/49/380545349.db2.gz MSQWGGWGURPFAD-JTQLQIEISA-N 0 0 275.348 2.809 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c(O)c1O ZINC000179519984 380552266 /nfs/dbraw/zinc/55/22/66/380552266.db2.gz KEQPEFZCJFPVFD-WCQYABFASA-N 0 0 275.348 2.811 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(O)c1O ZINC000179519963 380552709 /nfs/dbraw/zinc/55/27/09/380552709.db2.gz KEQPEFZCJFPVFD-AAEUAGOBSA-N 0 0 275.348 2.811 20 10 CFCDRN Oc1ccc(F)cc1CN1CCO[C@H](c2ccco2)C1 ZINC000180243283 380638444 /nfs/dbraw/zinc/63/84/44/380638444.db2.gz VYBXPPAJZLWABW-HNNXBMFYSA-N 0 0 277.295 2.698 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179875066 380589758 /nfs/dbraw/zinc/58/97/58/380589758.db2.gz OOAQJIFXKZTODD-XJKSGUPXSA-N 0 0 296.370 2.848 20 10 CFCDRN COCCN(Cc1cccc(C)c1O)CC(F)(F)F ZINC000179900747 380594364 /nfs/dbraw/zinc/59/43/64/380594364.db2.gz RRJKMGUVTWPYPI-UHFFFAOYSA-N 0 0 277.286 2.711 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000180624703 380682298 /nfs/dbraw/zinc/68/22/98/380682298.db2.gz RCBLIQXRAAJOPA-SNVBAGLBSA-N 0 0 255.745 2.514 20 10 CFCDRN C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180720075 380693607 /nfs/dbraw/zinc/69/36/07/380693607.db2.gz QUCSNWFLVMXUCV-PZBABLGHSA-N 0 0 275.348 2.760 20 10 CFCDRN CC1(C)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180813440 380703212 /nfs/dbraw/zinc/70/32/12/380703212.db2.gz PJAQYOXMYHXTCP-FNORWQNLSA-N 0 0 261.321 2.512 20 10 CFCDRN CCSCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180830290 380704076 /nfs/dbraw/zinc/70/40/76/380704076.db2.gz XZMZRGPKTYCQCB-ZRQQLDRUSA-N 0 0 295.404 2.759 20 10 CFCDRN C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424090 380656727 /nfs/dbraw/zinc/65/67/27/380656727.db2.gz MNPFFCSHPLYERI-DGCLKSJQSA-N 0 0 282.815 2.960 20 10 CFCDRN CO[C@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000181258919 380766012 /nfs/dbraw/zinc/76/60/12/380766012.db2.gz GFKKCJNBZXMIRT-CYBMUJFWSA-N 0 0 290.407 2.500 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC=CCC1 ZINC000180983660 380720953 /nfs/dbraw/zinc/72/09/53/380720953.db2.gz MVESNEJMFOVCHF-BUUCAEBMSA-N 0 0 273.332 2.584 20 10 CFCDRN CC1(C)CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181167304 380752003 /nfs/dbraw/zinc/75/20/03/380752003.db2.gz ATLGTRQPJOZRSR-IZPAUZPXSA-N 0 0 275.348 2.806 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@@H]1C ZINC000181297349 380772302 /nfs/dbraw/zinc/77/23/02/380772302.db2.gz SIKFVZYNBJFBEA-JZYUNNQISA-N 0 0 275.348 2.616 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CC[C@@H](C)O2)s1 ZINC000295343823 380800581 /nfs/dbraw/zinc/80/05/81/380800581.db2.gz QDOWDQVYJGNONV-SFYZADRCSA-N 0 0 273.379 2.589 20 10 CFCDRN COC(=O)c1cnc(SCc2nc(C(C)C)no2)s1 ZINC000295376234 380816391 /nfs/dbraw/zinc/81/63/91/380816391.db2.gz STHZIWZXSUKNPL-UHFFFAOYSA-N 0 0 299.377 2.728 20 10 CFCDRN C[C@H](OCCc1ccccc1)C(=O)NCc1ccccc1O ZINC000295375022 380816402 /nfs/dbraw/zinc/81/64/02/380816402.db2.gz WYZFGBJCUKTSPD-AWEZNQCLSA-N 0 0 299.370 2.656 20 10 CFCDRN CC(C)Oc1ncccc1C(=O)NCc1ccccc1O ZINC000287423766 380827472 /nfs/dbraw/zinc/82/74/72/380827472.db2.gz RXGUNGHGTWQCBH-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000287524482 380856714 /nfs/dbraw/zinc/85/67/14/380856714.db2.gz OSEJPFMKLHAMQC-ZDUSSCGKSA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000287690505 380909529 /nfs/dbraw/zinc/90/95/29/380909529.db2.gz WRIUZZNIPSFAIQ-VWYCJHECSA-N 0 0 285.334 2.994 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2conc2C2CC2)cc1 ZINC000289290843 381031461 /nfs/dbraw/zinc/03/14/61/381031461.db2.gz BCRPCOAVJYGNBC-UHFFFAOYSA-N 0 0 285.347 2.548 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(C(C)C)CC2)c(O)c1O ZINC000182513522 381105111 /nfs/dbraw/zinc/10/51/11/381105111.db2.gz JVUDSJHDVNLMLO-UHFFFAOYSA-N 0 0 277.364 2.914 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c(O)c1O ZINC000182534500 381106597 /nfs/dbraw/zinc/10/65/97/381106597.db2.gz JPBCNPMGPSSAIL-GXSJLCMTSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1cnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000182566157 381114064 /nfs/dbraw/zinc/11/40/64/381114064.db2.gz JVLMEJMOPMTTRW-SECBINFHSA-N 0 0 292.360 2.662 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c(O)c1O ZINC000182964970 381191214 /nfs/dbraw/zinc/19/12/14/381191214.db2.gz VJUOADXRHMLUPQ-KOLCDFICSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1nc(NCc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000296138477 381270343 /nfs/dbraw/zinc/27/03/43/381270343.db2.gz WDFFBFDQLIURNC-UHFFFAOYSA-N 0 0 271.368 2.716 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCC(C)(F)F)cc1 ZINC000296134761 381270476 /nfs/dbraw/zinc/27/04/76/381270476.db2.gz CKNHVKSOWVWCMJ-UHFFFAOYSA-N 0 0 285.338 2.597 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C2CC2)n1 ZINC000183599603 381293205 /nfs/dbraw/zinc/29/32/05/381293205.db2.gz BVOOMCXDZRTSCX-SNVBAGLBSA-N 0 0 285.347 2.808 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccccc1 ZINC000183428220 381271867 /nfs/dbraw/zinc/27/18/67/381271867.db2.gz HIVGAGYQSMSGEJ-CYBMUJFWSA-N 0 0 299.370 2.778 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C(C)(C)C ZINC000183460742 381273715 /nfs/dbraw/zinc/27/37/15/381273715.db2.gz PSJBFUBLTWLKEQ-WSKFYRRCSA-N 0 0 277.364 2.747 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCCC1 ZINC000183481441 381276667 /nfs/dbraw/zinc/27/66/67/381276667.db2.gz HURBUFLDUDSPEJ-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000184821079 381483709 /nfs/dbraw/zinc/48/37/09/381483709.db2.gz KJDYAVBCJUMIKG-CABCVRRESA-N 0 0 260.381 2.661 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000184694282 381462798 /nfs/dbraw/zinc/46/27/98/381462798.db2.gz FTNALIUTKIMRFU-VHSXEESVSA-N 0 0 285.771 2.663 20 10 CFCDRN CCC[C@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000297192133 381552888 /nfs/dbraw/zinc/55/28/88/381552888.db2.gz FMIYLNFFLPVSJB-WCQYABFASA-N 0 0 295.379 2.645 20 10 CFCDRN CCOCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185070968 381528175 /nfs/dbraw/zinc/52/81/75/381528175.db2.gz NPTGWTVIWCYORB-NSHDSACASA-N 0 0 255.333 2.999 20 10 CFCDRN CCCCSCCC(=O)NCc1ccc(N)cc1 ZINC000297223556 381553290 /nfs/dbraw/zinc/55/32/90/381553290.db2.gz OFULMSRWDJGULO-UHFFFAOYSA-N 0 0 266.410 2.808 20 10 CFCDRN CC[C@H](C)Oc1cc(C(=O)NCc2ccc(N)cc2)ccn1 ZINC000297245608 381555331 /nfs/dbraw/zinc/55/53/31/381555331.db2.gz QFNKFCAIKZSHRQ-LBPRGKRZSA-N 0 0 299.374 2.771 20 10 CFCDRN Cc1ccc(OCCC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC000297349340 381560013 /nfs/dbraw/zinc/56/00/13/381560013.db2.gz ZBXBLDKEMGDNFO-UHFFFAOYSA-N 0 0 298.386 2.971 20 10 CFCDRN CCOCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298329967 381583312 /nfs/dbraw/zinc/58/33/12/381583312.db2.gz HHNBZYRUEOIUQM-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNCc1csnn1 ZINC000355110623 381618127 /nfs/dbraw/zinc/61/81/27/381618127.db2.gz BUYUZVJXCCPPOY-UHFFFAOYSA-N 0 0 272.377 2.628 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000371412334 381619297 /nfs/dbraw/zinc/61/92/97/381619297.db2.gz UPUPKDSPYIDETE-INIZCTEOSA-N 0 0 296.418 2.922 20 10 CFCDRN COc1cc(NCc2c(C)c3ccccc3n2C)ncn1 ZINC000359831839 381631589 /nfs/dbraw/zinc/63/15/89/381631589.db2.gz MZJAJWZAUDSLLA-UHFFFAOYSA-N 0 0 282.347 2.897 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1O ZINC000371469082 381633603 /nfs/dbraw/zinc/63/36/03/381633603.db2.gz CYEXEZWVCCBBIA-IMJJTQAJSA-N 0 0 275.392 2.946 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185512964 381655009 /nfs/dbraw/zinc/65/50/09/381655009.db2.gz QMKMWRSUCXWLRB-LKFCYVNXSA-N 0 0 281.352 2.977 20 10 CFCDRN CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000185579575 381670789 /nfs/dbraw/zinc/67/07/89/381670789.db2.gz IXKCBEDRPXLRKJ-AWEZNQCLSA-N 0 0 291.391 2.946 20 10 CFCDRN COCC1=CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000185893833 381771893 /nfs/dbraw/zinc/77/18/93/381771893.db2.gz YJYMTUMFMAFDPZ-UHFFFAOYSA-N 0 0 293.338 2.512 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000186179223 381843564 /nfs/dbraw/zinc/84/35/64/381843564.db2.gz HCJAJDLUIQNGHC-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN CCOc1ccc(N(CC)CCN2CCCC2=O)cc1 ZINC000299385048 381919813 /nfs/dbraw/zinc/91/98/13/381919813.db2.gz IEAQKIHLIKCSOY-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ccco2)C1 ZINC000373124775 381933615 /nfs/dbraw/zinc/93/36/15/381933615.db2.gz QPEJOUWIZLNXNR-DIECRNLCSA-N 0 0 299.326 2.720 20 10 CFCDRN O=C(C[C@H]1C=CCCC1)NCCc1ccc(O)c(O)c1 ZINC000186824952 382025427 /nfs/dbraw/zinc/02/54/27/382025427.db2.gz VSSSOJBVLJLJRH-LBPRGKRZSA-N 0 0 275.348 2.503 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000375883503 382109472 /nfs/dbraw/zinc/10/94/72/382109472.db2.gz CJXCOUKMDJIKQX-TZMCWYRMSA-N 0 0 289.354 2.853 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1[O-] ZINC000376306882 382129011 /nfs/dbraw/zinc/12/90/11/382129011.db2.gz VUUXIOKNZDECTA-RBOXIYTFSA-N 0 0 295.354 2.520 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC2(CC2)c2ccccc21 ZINC000376558195 382146074 /nfs/dbraw/zinc/14/60/74/382146074.db2.gz WTDDFEJKKWCKCH-UHFFFAOYSA-N 0 0 281.311 2.790 20 10 CFCDRN CCc1nc([C@@H](C)NC(=O)c2cccc(O)c2O)cs1 ZINC000187513559 382200103 /nfs/dbraw/zinc/20/01/03/382200103.db2.gz FSRRFNPINQVPQW-MRVPVSSYSA-N 0 0 292.360 2.608 20 10 CFCDRN CC1(CO)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293657204 382219016 /nfs/dbraw/zinc/21/90/16/382219016.db2.gz PFZVDMSUOLSHKG-UHFFFAOYSA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccc(N2CCCN(c3cncc(C)n3)CC2)cc1 ZINC000302241150 382229113 /nfs/dbraw/zinc/22/91/13/382229113.db2.gz XTYGTPLDLXMYCM-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000293684868 382233447 /nfs/dbraw/zinc/23/34/47/382233447.db2.gz RTDHKESGHJIUCN-MGCOHNPYSA-N 0 0 273.735 2.578 20 10 CFCDRN COc1cc(N(C)Cc2conc2C)cc(OC)c1OC ZINC000293588868 382187324 /nfs/dbraw/zinc/18/73/24/382187324.db2.gz KGJKHNQGZTWOLK-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nccc(OC)n1 ZINC000301793691 382193812 /nfs/dbraw/zinc/19/38/12/382193812.db2.gz XQVRRSRLTBACFB-UHFFFAOYSA-N 0 0 273.336 2.607 20 10 CFCDRN Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000363860446 382249808 /nfs/dbraw/zinc/24/98/08/382249808.db2.gz USMRUFITRDBJDM-AAEUAGOBSA-N 0 0 289.354 2.702 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187753604 382263199 /nfs/dbraw/zinc/26/31/99/382263199.db2.gz JWBUOCCCBGHOJZ-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)c(F)c1[O-] ZINC000187758514 382264276 /nfs/dbraw/zinc/26/42/76/382264276.db2.gz LVTBATYRYZUHDA-MXWKQRLJSA-N 0 0 285.334 2.872 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]n1 ZINC000187798987 382270577 /nfs/dbraw/zinc/27/05/77/382270577.db2.gz ZAADEQUCFNUQDC-PSASIEDQSA-N 0 0 295.333 2.984 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000377633980 382307850 /nfs/dbraw/zinc/30/78/50/382307850.db2.gz WESRWBMANAPYOP-CXAGYDPISA-N 0 0 291.391 2.964 20 10 CFCDRN Oc1ccc2c(c1)OCCN(Cc1cc(F)ccc1O)C2 ZINC000377710193 382327492 /nfs/dbraw/zinc/32/74/92/382327492.db2.gz WBQNQDIXMJVEBR-UHFFFAOYSA-N 0 0 289.306 2.632 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000345269559 382294229 /nfs/dbraw/zinc/29/42/29/382294229.db2.gz PYVBBOYDSMLQKV-CHWSQXEVSA-N 0 0 288.391 2.914 20 10 CFCDRN Cc1nc([C@@H](C)N2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000377827609 382353109 /nfs/dbraw/zinc/35/31/09/382353109.db2.gz YILXCXHXBYFHMW-GFCCVEGCSA-N 0 0 298.390 2.904 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294138130 382431033 /nfs/dbraw/zinc/43/10/33/382431033.db2.gz HGCQVBHRZOYKBO-SNVBAGLBSA-N 0 0 275.751 2.681 20 10 CFCDRN COc1cccc(CN2CCOC[C@@H]2c2ccco2)c1O ZINC000378343710 382441079 /nfs/dbraw/zinc/44/10/79/382441079.db2.gz VXQVXHSNIFVWIZ-CYBMUJFWSA-N 0 0 289.331 2.567 20 10 CFCDRN CC(C)[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378127076 382403223 /nfs/dbraw/zinc/40/32/23/382403223.db2.gz FYKVTCXUFRWJKM-OAHLLOKOSA-N 0 0 283.799 2.886 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000378371897 382449311 /nfs/dbraw/zinc/44/93/11/382449311.db2.gz AIBBFVNHBRACCI-YUELXQCFSA-N 0 0 261.365 2.638 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000378439184 382461485 /nfs/dbraw/zinc/46/14/85/382461485.db2.gz MSWFRWPWJMIHKM-NSHDSACASA-N 0 0 269.772 2.640 20 10 CFCDRN CC(C)c1nnc(C[NH2+]Cc2cccc(Cl)c2[O-])[nH]1 ZINC000294762654 382527138 /nfs/dbraw/zinc/52/71/38/382527138.db2.gz JFJGTBWUMHLPJT-UHFFFAOYSA-N 0 0 280.759 2.577 20 10 CFCDRN CCOC(=O)c1csc(N(C)Cc2ccccc2O)n1 ZINC000294757134 382527392 /nfs/dbraw/zinc/52/73/92/382527392.db2.gz XWVGNVBSUAFLFZ-UHFFFAOYSA-N 0 0 292.360 2.662 20 10 CFCDRN Cc1ccn(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000188940382 382508557 /nfs/dbraw/zinc/50/85/57/382508557.db2.gz DQQSLVOXTYOLEB-UHFFFAOYSA-N 0 0 285.391 2.672 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367048724 382556106 /nfs/dbraw/zinc/55/61/06/382556106.db2.gz XZRBCPKSQJNJQO-AWEZNQCLSA-N 0 0 267.756 2.801 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367048725 382556795 /nfs/dbraw/zinc/55/67/95/382556795.db2.gz XZRBCPKSQJNJQO-CQSZACIVSA-N 0 0 267.756 2.801 20 10 CFCDRN COC(=O)c1cnc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000295263667 382602219 /nfs/dbraw/zinc/60/22/19/382602219.db2.gz IZAWPJVLOMGGOF-BRPSZJMVSA-N 0 0 287.406 2.978 20 10 CFCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000189876510 382643626 /nfs/dbraw/zinc/64/36/26/382643626.db2.gz ZAHLPFZUYJFHCR-SNVBAGLBSA-N 0 0 297.704 2.791 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(F)cn1 ZINC000337076982 382758424 /nfs/dbraw/zinc/75/84/24/382758424.db2.gz CLZQBGGZIRCUMZ-UHFFFAOYSA-N 0 0 297.333 2.951 20 10 CFCDRN CCOC[C@@H](O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000246972833 383127234 /nfs/dbraw/zinc/12/72/34/383127234.db2.gz VNMUKHXPLXUVGJ-CJNGLKHVSA-N 0 0 293.407 2.698 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCCc3cc(F)ccc32)cnn1C ZINC000255163441 383477127 /nfs/dbraw/zinc/47/71/27/383477127.db2.gz UYQPMLUSOZPSFI-YVMONPNESA-N 0 0 299.349 2.860 20 10 CFCDRN Cc1n[nH]cc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264736468 383778100 /nfs/dbraw/zinc/77/81/00/383778100.db2.gz FUZKAVUBNPNBOC-UHFFFAOYSA-N 0 0 298.390 2.589 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCS1 ZINC000266562634 384198781 /nfs/dbraw/zinc/19/87/81/384198781.db2.gz NRXXBOMFGRSVRP-OAHLLOKOSA-N 0 0 290.432 2.799 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C)CCC2)cc1F ZINC000267395782 384378454 /nfs/dbraw/zinc/37/84/54/384378454.db2.gz WECQUHJIEIWYLV-UHFFFAOYSA-N 0 0 264.344 2.698 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cncn2C)cc1 ZINC000267649598 384432561 /nfs/dbraw/zinc/43/25/61/384432561.db2.gz XGWLKJMLEBDULC-UHFFFAOYSA-N 0 0 259.353 2.845 20 10 CFCDRN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccccc1O ZINC000269120288 384728020 /nfs/dbraw/zinc/72/80/20/384728020.db2.gz FREIUDRHKLUVFH-SCLBCKFNSA-N 0 0 299.370 2.563 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000269250522 384741373 /nfs/dbraw/zinc/74/13/73/384741373.db2.gz XDUVPIZMJPMXAJ-LLVKDONJSA-N 0 0 297.420 2.678 20 10 CFCDRN CC(C)(C)c1nsc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000269250741 384741781 /nfs/dbraw/zinc/74/17/81/384741781.db2.gz SQKBJGDYXAJYEA-UHFFFAOYSA-N 0 0 290.392 2.599 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc(F)cn1 ZINC000269470363 384762300 /nfs/dbraw/zinc/76/23/00/384762300.db2.gz IYNJZWAUZPLWKT-UHFFFAOYSA-N 0 0 274.343 2.708 20 10 CFCDRN O=C(NCCC1=CCCC1)NCc1ccccc1O ZINC000269920139 384905597 /nfs/dbraw/zinc/90/55/97/384905597.db2.gz GCNJKSPIAUMYIT-UHFFFAOYSA-N 0 0 260.337 2.692 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@](C)(O)C1CC1 ZINC000270165657 385000151 /nfs/dbraw/zinc/00/01/51/385000151.db2.gz BOHLMSKUQBZIOR-QGZVFWFLSA-N 0 0 291.391 2.682 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000281197527 385187817 /nfs/dbraw/zinc/18/78/17/385187817.db2.gz RSUWFEDPVFZTNF-MWLCHTKSSA-N 0 0 285.334 2.872 20 10 CFCDRN CCCCN(Cc1nonc1C)Cc1ccccc1O ZINC000282330360 385285510 /nfs/dbraw/zinc/28/55/10/385285510.db2.gz AWHBVTZISGPBRX-UHFFFAOYSA-N 0 0 275.352 2.886 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncnc1C ZINC000282347622 385289235 /nfs/dbraw/zinc/28/92/35/385289235.db2.gz AIYOIMOAVFLOGH-UHFFFAOYSA-N 0 0 299.374 2.933 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnns1 ZINC000282378611 385296889 /nfs/dbraw/zinc/29/68/89/385296889.db2.gz COHFMITXGJUNAS-UHFFFAOYSA-N 0 0 291.376 2.686 20 10 CFCDRN CCCC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000282722733 385377016 /nfs/dbraw/zinc/37/70/16/385377016.db2.gz LQTGGRFCVUBAPA-RYUDHWBXSA-N 0 0 279.380 2.971 20 10 CFCDRN CCOc1ccc(O)c(CNc2cn(C)nc2CC)c1 ZINC000271871477 385395007 /nfs/dbraw/zinc/39/50/07/385395007.db2.gz XXJQLSSBNGZEGG-UHFFFAOYSA-N 0 0 275.352 2.699 20 10 CFCDRN CCSCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000282844688 385399013 /nfs/dbraw/zinc/39/90/13/385399013.db2.gz SXQKSEJOVIRGSJ-NSHDSACASA-N 0 0 297.420 2.973 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ccn(C)n2)cc1 ZINC000272013097 385425548 /nfs/dbraw/zinc/42/55/48/385425548.db2.gz UFDWEZKIPPTNGR-UHFFFAOYSA-N 0 0 259.353 2.845 20 10 CFCDRN C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492134 385551562 /nfs/dbraw/zinc/55/15/62/385551562.db2.gz DXRVIPGVYURWLV-BDAKNGLRSA-N 0 0 290.190 2.902 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000285833819 385558035 /nfs/dbraw/zinc/55/80/35/385558035.db2.gz XWVVXTDGBSSSKY-TZMCWYRMSA-N 0 0 259.349 2.953 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)C(C)C)c1ccc(F)cc1[O-] ZINC000286005696 385559608 /nfs/dbraw/zinc/55/96/08/385559608.db2.gz IYJQPHPJQRFBQV-QWHCGFSZSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1ccc(F)cc1[O-] ZINC000286193432 385569459 /nfs/dbraw/zinc/56/94/59/385569459.db2.gz QXBNNHPVSNQOKO-KBPBESRZSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H](O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286256131 385578291 /nfs/dbraw/zinc/57/82/91/385578291.db2.gz UOKGHGULOMHYSK-AAEUAGOBSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272876821 385638948 /nfs/dbraw/zinc/63/89/48/385638948.db2.gz UUKSCOURDXPZFE-HIFRSBDPSA-N 0 0 291.391 2.946 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000273372568 385678777 /nfs/dbraw/zinc/67/87/77/385678777.db2.gz GJKIZNAMHTZUGR-ZJUUUORDSA-N 0 0 263.337 2.628 20 10 CFCDRN CCCc1nc(C(=O)NCc2ccc(N(C)C)cc2)co1 ZINC000273495151 385685472 /nfs/dbraw/zinc/68/54/72/385685472.db2.gz LIXQPHAVNOBGBR-UHFFFAOYSA-N 0 0 287.363 2.623 20 10 CFCDRN C[C@H]([NH2+]CCc1ccncc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273603168 385690629 /nfs/dbraw/zinc/69/06/29/385690629.db2.gz SLTHVRPHJOQLFN-NSHDSACASA-N 0 0 287.319 2.589 20 10 CFCDRN CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000286867620 385727735 /nfs/dbraw/zinc/72/77/35/385727735.db2.gz HANSEDNNMJCJIE-JOYOIKCWSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000286952305 385747990 /nfs/dbraw/zinc/74/79/90/385747990.db2.gz BPTJZGOWVDEROM-MGPQQGTHSA-N 0 0 267.344 2.876 20 10 CFCDRN CN(C)c1ccc(CN[C@H](CCO)c2ccco2)cc1F ZINC000274453436 385802226 /nfs/dbraw/zinc/80/22/26/385802226.db2.gz WPEZWRBVMKTKAG-CQSZACIVSA-N 0 0 292.354 2.698 20 10 CFCDRN CN(C)c1ccc(CN[C@@H](CCO)c2ccco2)cc1F ZINC000274453434 385802502 /nfs/dbraw/zinc/80/25/02/385802502.db2.gz WPEZWRBVMKTKAG-AWEZNQCLSA-N 0 0 292.354 2.698 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cn(C)nc1C(F)F ZINC000274514880 385816586 /nfs/dbraw/zinc/81/65/86/385816586.db2.gz WNYAEOIITJALBR-UHFFFAOYSA-N 0 0 293.317 2.929 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976625 386097828 /nfs/dbraw/zinc/09/78/28/386097828.db2.gz VDSVLNBZPDUDFU-KPXOXKRLSA-N 0 0 271.307 2.625 20 10 CFCDRN Oc1ccccc1CN1CCOCc2ccccc21 ZINC000291435958 285398585 /nfs/dbraw/zinc/39/85/85/285398585.db2.gz BNVUYDOPIPRLBJ-UHFFFAOYSA-N 0 0 255.317 2.929 20 10 CFCDRN CSCC(C)(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000367124833 533521982 /nfs/dbraw/zinc/52/19/82/533521982.db2.gz KXEBYHDBYFGWOM-UHFFFAOYSA-N 0 0 292.448 2.684 20 10 CFCDRN CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372447763 393449468 /nfs/dbraw/zinc/44/94/68/393449468.db2.gz UEFBGSMIWGNYEZ-CYBMUJFWSA-N 0 0 287.407 2.620 20 10 CFCDRN CC1=CCN(C(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000372461846 393450163 /nfs/dbraw/zinc/45/01/63/393450163.db2.gz ARSCQZRHHOFVFY-UHFFFAOYSA-N 0 0 285.391 2.541 20 10 CFCDRN Cc1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000301923351 393482434 /nfs/dbraw/zinc/48/24/34/393482434.db2.gz HDOJLHSWMFHJMF-UHFFFAOYSA-N 0 0 262.382 2.549 20 10 CFCDRN CC(C)c1nccc(NCCc2ccc(O)c(O)c2)n1 ZINC000301543610 393474966 /nfs/dbraw/zinc/47/49/66/393474966.db2.gz DDUYMEIQWYRXLU-UHFFFAOYSA-N 0 0 273.336 2.666 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])CC1(O)CCCC1 ZINC000180314798 393478659 /nfs/dbraw/zinc/47/86/59/393478659.db2.gz TZNPUONXAUYNOZ-UHFFFAOYSA-N 0 0 269.772 2.783 20 10 CFCDRN CC(C)(O)C[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000189945380 393575666 /nfs/dbraw/zinc/57/56/66/393575666.db2.gz QBHFZPLDRMVQBC-UHFFFAOYSA-N 0 0 269.772 2.781 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000237883133 393795802 /nfs/dbraw/zinc/79/58/02/393795802.db2.gz VRCVHTRJZNZKKU-HNNXBMFYSA-N 0 0 258.365 2.602 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)C)[C@@H](C)C2CC2)cc1 ZINC000109774284 393879783 /nfs/dbraw/zinc/87/97/83/393879783.db2.gz ARGVLJGBFDTWTC-ZDUSSCGKSA-N 0 0 290.407 2.825 20 10 CFCDRN CCCCCOCC(=O)NCc1ccc(N(C)C)cc1 ZINC000120828301 393941649 /nfs/dbraw/zinc/94/16/49/393941649.db2.gz WRYFYRNCZQNWRI-UHFFFAOYSA-N 0 0 278.396 2.576 20 10 CFCDRN CCCCOC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000121150242 393949297 /nfs/dbraw/zinc/94/92/97/393949297.db2.gz ZGDRZTQJWNBBHH-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccn1C ZINC000348663888 393955642 /nfs/dbraw/zinc/95/56/42/393955642.db2.gz GJTMIJWHTNSLIU-UHFFFAOYSA-N 0 0 281.359 2.755 20 10 CFCDRN Cc1cc(O)c(CN(C)[C@@H](C)C(=O)OC(C)C)cc1C ZINC000121534120 393956492 /nfs/dbraw/zinc/95/64/92/393956492.db2.gz FCAITWSZSAPLLL-ZDUSSCGKSA-N 0 0 279.380 2.781 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000281956923 394101112 /nfs/dbraw/zinc/10/11/12/394101112.db2.gz FWCDOVPCNULLTE-ZENOOKHLSA-N 0 0 290.407 2.525 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2cc(Cl)ccc21 ZINC000492930845 394101518 /nfs/dbraw/zinc/10/15/18/394101518.db2.gz WIGBGOSNMUQYGW-DUXPYHPUSA-N 0 0 273.723 2.666 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)Oc3ncccc32)cn1 ZINC000492546335 394070997 /nfs/dbraw/zinc/07/09/97/394070997.db2.gz JCLHZXGKPUUDGN-MEJMFZKBSA-N 0 0 295.342 2.612 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(OC)c1)c1ncccc1C ZINC000492565554 394071297 /nfs/dbraw/zinc/07/12/97/394071297.db2.gz LWPLTSJKXMKDSJ-BQYQJAHWSA-N 0 0 297.358 2.860 20 10 CFCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccncc1 ZINC000492552356 394071471 /nfs/dbraw/zinc/07/14/71/394071471.db2.gz VOQKIFAXXULZKJ-VOTSOKGWSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C\c2cnccn2)c2c(O)cccc21 ZINC000492568008 394071529 /nfs/dbraw/zinc/07/15/29/394071529.db2.gz RHESTTNDMRHUJK-FOQNGQEVSA-N 0 0 295.342 2.736 20 10 CFCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1cnccn1 ZINC000492974986 394113357 /nfs/dbraw/zinc/11/33/57/394113357.db2.gz SPAKEIKEOGXEIJ-BQYQJAHWSA-N 0 0 292.342 2.645 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCc2cccc(F)c21 ZINC000493091996 394146094 /nfs/dbraw/zinc/14/60/94/394146094.db2.gz MLOIIGBHBACQIW-SNAWJCMRSA-N 0 0 274.320 2.885 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc(F)n2)cn1 ZINC000493097851 394147929 /nfs/dbraw/zinc/14/79/29/394147929.db2.gz YINDOQGSTAEPDL-HJWRWDBZSA-N 0 0 271.295 2.600 20 10 CFCDRN CC[C@@H]([NH2+]CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000286867692 394200422 /nfs/dbraw/zinc/20/04/22/394200422.db2.gz HCAHMAVFSMYHJQ-SNVBAGLBSA-N 0 0 264.152 2.732 20 10 CFCDRN CC[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000286961082 394201486 /nfs/dbraw/zinc/20/14/86/394201486.db2.gz NEECHUVDMBRLKX-BXKDBHETSA-N 0 0 257.761 2.857 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365232420 394230121 /nfs/dbraw/zinc/23/01/21/394230121.db2.gz COQBCHYKJRTSKL-LLVKDONJSA-N 0 0 298.789 2.855 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CCO2)CC1 ZINC000367094083 394251635 /nfs/dbraw/zinc/25/16/35/394251635.db2.gz WSDUUSDDEXBPFI-UHFFFAOYSA-N 0 0 267.756 2.801 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2ccc(F)cc21 ZINC000171480193 335066794 /nfs/dbraw/zinc/06/67/94/335066794.db2.gz JMAKJBLOPMQOEL-DAFODLJHSA-N 0 0 286.281 2.962 20 10 CFCDRN COC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000293778878 292108537 /nfs/dbraw/zinc/10/85/37/292108537.db2.gz SSUKEOMICBXNSR-NSHDSACASA-N 0 0 294.351 2.910 20 10 CFCDRN COCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293796181 292198809 /nfs/dbraw/zinc/19/88/09/292198809.db2.gz UTEXHZKCSHPEKD-SNVBAGLBSA-N 0 0 282.340 2.624 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)Cc1ccc(N)cc1 ZINC000237588737 292342856 /nfs/dbraw/zinc/34/28/56/292342856.db2.gz OJHPXCROKAANCT-CYBMUJFWSA-N 0 0 296.370 2.934 20 10 CFCDRN CCn1cc(N[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000035780516 172414179 /nfs/dbraw/zinc/41/41/79/172414179.db2.gz FNJKBRHDUYAVSU-JTQLQIEISA-N 0 0 261.325 2.790 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1 ZINC000040631845 174358326 /nfs/dbraw/zinc/35/83/26/174358326.db2.gz WWYUUQYLTXYLBK-VQHVLOKHSA-N 0 0 255.273 2.750 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(C)c1 ZINC000348662885 226505733 /nfs/dbraw/zinc/50/57/33/226505733.db2.gz RWEREWCXEDSSGG-UHFFFAOYSA-N 0 0 281.359 2.755 20 10 CFCDRN Cc1cnc(F)c(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001243166646 782028809 /nfs/dbraw/zinc/02/88/09/782028809.db2.gz MYVAMXUTWJFSKZ-UHFFFAOYSA-N 0 0 286.228 2.920 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000152547427 261065411 /nfs/dbraw/zinc/06/54/11/261065411.db2.gz VJFMQVNZGOQBNU-JSGCOSHPSA-N 0 0 260.381 2.754 20 10 CFCDRN CCN(Cc1cn2cccnc2n1)c1ccc(OC)cc1 ZINC000299334054 263239475 /nfs/dbraw/zinc/23/94/75/263239475.db2.gz CUUGKHBTOBWKEF-UHFFFAOYSA-N 0 0 282.347 2.764 20 10 CFCDRN C[C@@H]1CCOCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367701182 267111055 /nfs/dbraw/zinc/11/10/55/267111055.db2.gz FPNDYRFAIBUMCK-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN CCCOc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(O)c1 ZINC000369677894 267259669 /nfs/dbraw/zinc/25/96/69/267259669.db2.gz ZPZZBTPTKCMEPI-KRWDZBQOSA-N 0 0 291.391 2.528 20 10 CFCDRN CC1CCN(C(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000369821553 267270019 /nfs/dbraw/zinc/27/00/19/267270019.db2.gz ZFRRVYSOGGEGHH-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)NC3CCC3)C2)cc1 ZINC000369981315 267280283 /nfs/dbraw/zinc/28/02/83/267280283.db2.gz CCZQYJBJKAFLAW-UHFFFAOYSA-N 0 0 285.391 2.714 20 10 CFCDRN C[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374282414 267773633 /nfs/dbraw/zinc/77/36/33/267773633.db2.gz GWHCWQSELOOHSS-MLGOLLRUSA-N 0 0 270.376 2.634 20 10 CFCDRN CCN(CC)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000375195096 267838391 /nfs/dbraw/zinc/83/83/91/267838391.db2.gz VVKFUQRXSJDLHT-UHFFFAOYSA-N 0 0 287.407 2.913 20 10 CFCDRN CC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187728574 287889597 /nfs/dbraw/zinc/88/95/97/287889597.db2.gz MTYYUMLUEHSYCY-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cncs2)c2ccccc2C1 ZINC000493758028 277088133 /nfs/dbraw/zinc/08/81/33/277088133.db2.gz RJCNANNDNITHIE-SREVYHEPSA-N 0 0 299.399 2.635 20 10 CFCDRN CN1CCc2cc([C@@H]3Nc4ccccc4C(=O)N3C)ccc21 ZINC000178892815 277187547 /nfs/dbraw/zinc/18/75/47/277187547.db2.gz QGUIQPDTJKZKOC-QGZVFWFLSA-N 0 0 293.370 2.875 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286270046 288080271 /nfs/dbraw/zinc/08/02/71/288080271.db2.gz VHQFTTYJDROIDG-SUNKGSAMSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(F)F ZINC000295028500 280946323 /nfs/dbraw/zinc/94/63/23/280946323.db2.gz LIYHWRYMYQPTGW-ONGXEEELSA-N 0 0 279.714 2.540 20 10 CFCDRN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000283129068 294325699 /nfs/dbraw/zinc/32/56/99/294325699.db2.gz VYUIMDBBEOQBNY-CYBMUJFWSA-N 0 0 291.782 2.946 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000036826032 295352474 /nfs/dbraw/zinc/35/24/74/295352474.db2.gz QJMYFHAIZKIBKX-HOCLYGCPSA-N 0 0 272.392 2.993 20 10 CFCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(O)c1O ZINC000187100266 297481660 /nfs/dbraw/zinc/48/16/60/297481660.db2.gz BFSVGSOHRQQEHW-WZRBSPASSA-N 0 0 275.348 2.891 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000193130429 304549259 /nfs/dbraw/zinc/54/92/59/304549259.db2.gz FYVBZUPMVKFQGP-WCQYABFASA-N 0 0 293.388 2.598 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@H]2CCCCC[C@H]21 ZINC000370492280 304549298 /nfs/dbraw/zinc/54/92/98/304549298.db2.gz PUGHLASQWUYGIS-ZYHUDNBSSA-N 0 0 261.321 2.503 20 10 CFCDRN C[C@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185121284 298796375 /nfs/dbraw/zinc/79/63/75/298796375.db2.gz MSOYKJBPLGPWOH-YUMQZZPRSA-N 0 0 278.179 2.978 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1cccnc1 ZINC000112244139 328392867 /nfs/dbraw/zinc/39/28/67/328392867.db2.gz QZUXYPVWWFUFLX-VOTSOKGWSA-N 0 0 273.361 2.913 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccnc1 ZINC000255293129 326962210 /nfs/dbraw/zinc/96/22/10/326962210.db2.gz HUUGBGKDBDXCGM-ALCCZGGFSA-N 0 0 273.723 2.806 20 10 CFCDRN Cc1c(/C=C\C(=O)N2C[C@@H](C)c3ccccc32)cnn1C ZINC000255385482 326968679 /nfs/dbraw/zinc/96/86/79/326968679.db2.gz KVVBEJUNRBDIAI-JLVNDZCYSA-N 0 0 281.359 2.892 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccc(F)cc1 ZINC000255491946 326984606 /nfs/dbraw/zinc/98/46/06/326984606.db2.gz FAOSHGWNYKVBQC-YHYXMXQVSA-N 0 0 287.338 2.934 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000296583744 327108087 /nfs/dbraw/zinc/10/80/87/327108087.db2.gz UNJYYAQJOPLLGQ-GHMZBOCLSA-N 0 0 255.333 2.733 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NCC(C)C)cc12 ZINC000421183321 329806884 /nfs/dbraw/zinc/80/68/84/329806884.db2.gz AAZAQWMNLDWXRQ-UHFFFAOYSA-N 0 0 288.391 2.946 20 10 CFCDRN C[C@@H]([NH2+]CC1COC1)c1cccc(C(F)(F)F)c1[O-] ZINC000528026171 330305015 /nfs/dbraw/zinc/30/50/15/330305015.db2.gz JZTNXNHWZFHKSR-MRVPVSSYSA-N 0 0 275.270 2.708 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc(F)cc1 ZINC000491150369 332157085 /nfs/dbraw/zinc/15/70/85/332157085.db2.gz FNBGQXTXSVQSFX-YVMONPNESA-N 0 0 271.295 2.682 20 10 CFCDRN CN(C(=O)/C=C\c1cnccn1)c1ccc2cc[nH]c2c1 ZINC000491981012 332378027 /nfs/dbraw/zinc/37/80/27/332378027.db2.gz GYFAGLHJEANDGH-HYXAFXHYSA-N 0 0 278.315 2.634 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc[nH]1 ZINC000492009627 332379067 /nfs/dbraw/zinc/37/90/67/332379067.db2.gz MKYDFCMJLUGAPT-YVMONPNESA-N 0 0 297.358 2.520 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccc(OC)cc1 ZINC000492246870 332388823 /nfs/dbraw/zinc/38/88/23/332388823.db2.gz DNAVMCVLWIYLDW-WDZFZDKYSA-N 0 0 299.374 2.803 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3nc(C)ccc32)c1 ZINC000492321366 332392352 /nfs/dbraw/zinc/39/23/52/332392352.db2.gz JUEPCNPTYSWMRY-XQRVVYSFSA-N 0 0 295.342 2.532 20 10 CFCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cncc(O)c1 ZINC000492397895 332395618 /nfs/dbraw/zinc/39/56/18/332395618.db2.gz KRNQMYCOXHOMSW-HJWRWDBZSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2cc(F)ccc21 ZINC000492413718 332396348 /nfs/dbraw/zinc/39/63/48/332396348.db2.gz HNDVMJWDNBMXLA-GORDUTHDSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2cccc(F)c21 ZINC000492461038 332398562 /nfs/dbraw/zinc/39/85/62/332398562.db2.gz OTDCFPFZXSXGKW-AATRIKPKSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2ccccc21 ZINC000492504382 332400720 /nfs/dbraw/zinc/40/07/20/332400720.db2.gz SEXGZUAUAZNHEG-SREVYHEPSA-N 0 0 280.327 2.829 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000492585003 332404346 /nfs/dbraw/zinc/40/43/46/332404346.db2.gz CHAGGSMIKLLTGJ-ARJAWSKDSA-N 0 0 271.295 2.600 20 10 CFCDRN COc1ncc(/C=C\C(=O)N(C)c2cc(C)ccc2C)cn1 ZINC000492648771 332408149 /nfs/dbraw/zinc/40/81/49/332408149.db2.gz LOTSFDHALLIPEL-FPLPWBNLSA-N 0 0 297.358 2.778 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1C ZINC000492733523 332411518 /nfs/dbraw/zinc/41/15/18/332411518.db2.gz HNCBQDJWGXWPHY-KTKRTIGZSA-N 0 0 297.358 2.860 20 10 CFCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc2cc[nH]c2c1 ZINC000492866532 332416780 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CC(=O)c1cc(Cl)cc(CN2CCC(=O)[C@H](C)C2)c1O ZINC000169140204 518277740 /nfs/dbraw/zinc/27/77/40/518277740.db2.gz SNKPGWVXIURQCI-SECBINFHSA-N 0 0 295.766 2.659 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cccnc2)c1O ZINC000050134335 518284570 /nfs/dbraw/zinc/28/45/70/518284570.db2.gz MSHWOOXWGDUYDI-UHFFFAOYSA-N 0 0 288.322 2.761 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccco2)c1O ZINC000050133933 518284602 /nfs/dbraw/zinc/28/46/02/518284602.db2.gz HMIABLWUHUOJQZ-UHFFFAOYSA-N 0 0 277.295 2.959 20 10 CFCDRN CC(C)(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(=O)[O-] ZINC000277504282 518957953 /nfs/dbraw/zinc/95/79/53/518957953.db2.gz XSWHMYAWEASIRE-AWEZNQCLSA-N 0 0 291.391 2.848 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)C(F)(F)F ZINC000280443397 519190937 /nfs/dbraw/zinc/19/09/37/519190937.db2.gz BEOBSHZBOIKXGL-UHFFFAOYSA-N 0 0 291.269 2.693 20 10 CFCDRN CC(C)(CO)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000290886888 519283527 /nfs/dbraw/zinc/28/35/27/519283527.db2.gz LCPXCDRLWKQNJF-CQSZACIVSA-N 0 0 283.799 2.932 20 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CFCDRN CCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173204068 519909049 /nfs/dbraw/zinc/90/90/49/519909049.db2.gz WJXGLWHFRDEDHO-UHFFFAOYSA-N 0 0 262.353 2.668 20 10 CFCDRN CCCCN(CC(F)(F)F)C(=O)c1cccc(O)c1O ZINC000274974955 520444686 /nfs/dbraw/zinc/44/46/86/520444686.db2.gz KURUYENDBOBTEJ-UHFFFAOYSA-N 0 0 291.269 2.902 20 10 CFCDRN CCOc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000302310103 520761273 /nfs/dbraw/zinc/76/12/73/520761273.db2.gz SFWDDSOEXGUYIQ-UHFFFAOYSA-N 0 0 286.379 2.862 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCO2)cc1 ZINC000178509423 520899929 /nfs/dbraw/zinc/89/99/29/520899929.db2.gz ICKCGEMSKDYIQI-INIZCTEOSA-N 0 0 290.407 2.718 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC2(F)F)cc1 ZINC000294463350 520903879 /nfs/dbraw/zinc/90/38/79/520903879.db2.gz MWVXBGJKHFEYKE-CYBMUJFWSA-N 0 0 282.334 2.804 20 10 CFCDRN CC1CCC(OCC(=O)N(C)Cc2ccccc2O)CC1 ZINC000279846405 520957543 /nfs/dbraw/zinc/95/75/43/520957543.db2.gz JTRFULNOYPIQAW-UHFFFAOYSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000282722747 520991829 /nfs/dbraw/zinc/99/18/29/520991829.db2.gz LQTGGRFCVUBAPA-VXGBXAGGSA-N 0 0 279.380 2.971 20 10 CFCDRN CCOc1ccc(N(CC)Cc2noc(C)n2)cc1 ZINC000299446846 521027851 /nfs/dbraw/zinc/02/78/51/521027851.db2.gz YIHPMQRTSGQHRW-UHFFFAOYSA-N 0 0 261.325 2.803 20 10 CFCDRN CCC[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000213135549 521201229 /nfs/dbraw/zinc/20/12/29/521201229.db2.gz YFCZVNDXKSUKOS-HNNXBMFYSA-N 0 0 260.381 2.993 20 10 CFCDRN CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278153902 521303155 /nfs/dbraw/zinc/30/31/55/521303155.db2.gz CSTSDSMLDJPHAR-UHFFFAOYSA-N 0 0 282.340 2.929 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC(C)(C)C ZINC000164735815 521317809 /nfs/dbraw/zinc/31/78/09/521317809.db2.gz DKZONVBZVLUMDA-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CC1 ZINC000297346817 521318040 /nfs/dbraw/zinc/31/80/40/521318040.db2.gz NSFHHZIEKKZLOK-UHFFFAOYSA-N 0 0 291.395 2.626 20 10 CFCDRN 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CCCN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCC2 ZINC000263998724 521690149 /nfs/dbraw/zinc/69/01/49/521690149.db2.gz GEFRMPFIAMCFQH-UHFFFAOYSA-N 0 0 299.374 2.656 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000278928125 521870878 /nfs/dbraw/zinc/87/08/78/521870878.db2.gz VVGLHZOTNWAJDE-JTQLQIEISA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278236324 521873751 /nfs/dbraw/zinc/87/37/51/521873751.db2.gz NKCVXSGCJUHCOV-UWVGGRQHSA-N 0 0 280.324 2.539 20 10 CFCDRN CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278887917 521936091 /nfs/dbraw/zinc/93/60/91/521936091.db2.gz PBSFXBSOJNIDMJ-UWVGGRQHSA-N 0 0 282.340 2.833 20 10 CFCDRN CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000277865904 521971049 /nfs/dbraw/zinc/97/10/49/521971049.db2.gz DHUZPYGAAYSPFB-CPCISQLKSA-N 0 0 291.269 2.805 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cccn3C)C2)cc1 ZINC000364720053 522155875 /nfs/dbraw/zinc/15/58/75/522155875.db2.gz 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GGWSKKGTFUFKRI-AWEZNQCLSA-N 0 0 292.423 2.979 20 10 CFCDRN CN(C)c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000277767381 522239941 /nfs/dbraw/zinc/23/99/41/522239941.db2.gz KWLUURMPOKZBTL-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(C)CC1 ZINC000336117872 522252964 /nfs/dbraw/zinc/25/29/64/522252964.db2.gz KCJACHKDTKUYNH-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN COc1cc(CCO)ccc1NCc1cc(F)ccc1O ZINC000289692954 522338184 /nfs/dbraw/zinc/33/81/84/522338184.db2.gz NFRMFSLHBNQIMS-UHFFFAOYSA-N 0 0 291.322 2.687 20 10 CFCDRN COc1cc(N(C)C[C@H]2CCSC2)cc(OC)c1OC ZINC000278544971 522621660 /nfs/dbraw/zinc/62/16/60/522621660.db2.gz CYQBGQSDYGMTRJ-LLVKDONJSA-N 0 0 297.420 2.902 20 10 CFCDRN CN(CC1CCCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000278685156 522654126 /nfs/dbraw/zinc/65/41/26/522654126.db2.gz QQIPBOIVISOXHI-UHFFFAOYSA-N 0 0 281.327 2.889 20 10 CFCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000080254031 522696847 /nfs/dbraw/zinc/69/68/47/522696847.db2.gz XBIRZDGIRRLRAR-GFCCVEGCSA-N 0 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CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000280506239 523382340 /nfs/dbraw/zinc/38/23/40/523382340.db2.gz FBNMFTNRXCDMBF-LLVKDONJSA-N 0 0 298.333 2.969 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)s1 ZINC000302677538 523387095 /nfs/dbraw/zinc/38/70/95/523387095.db2.gz VBQHPGLTHZOPHP-UHFFFAOYSA-N 0 0 298.371 2.942 20 10 CFCDRN CC[C@](C)(OC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000280071449 523517199 /nfs/dbraw/zinc/51/71/99/523517199.db2.gz PVSLBCLJUWOVFJ-KRWDZBQOSA-N 0 0 290.407 2.718 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000281000487 523584024 /nfs/dbraw/zinc/58/40/24/523584024.db2.gz NUHDWGRUWXDXEE-GDBMZVCRSA-N 0 0 285.391 2.661 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000284983732 523663335 /nfs/dbraw/zinc/66/33/35/523663335.db2.gz MFZUOTQKLOTPMF-UHFFFAOYSA-N 0 0 271.364 2.573 20 10 CFCDRN CC[C@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000190476574 523846435 /nfs/dbraw/zinc/84/64/35/523846435.db2.gz CKVCQDIGTMRBAF-AWEZNQCLSA-N 0 0 290.407 2.780 20 10 CFCDRN COc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1C ZINC000237262568 523995953 /nfs/dbraw/zinc/99/59/53/523995953.db2.gz JFROKIPXJOQOSK-UHFFFAOYSA-N 0 0 298.386 2.787 20 10 CFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000289534586 524023890 /nfs/dbraw/zinc/02/38/90/524023890.db2.gz HSSPUYNEPUIYBF-UQJZFXKTSA-N 0 0 293.794 2.901 20 10 CFCDRN CO[C@](C)(C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000291350261 524027394 /nfs/dbraw/zinc/02/73/94/524027394.db2.gz XIFZBUQDFGILMF-ZUZCIYMTSA-N 0 0 267.344 2.997 20 10 CFCDRN COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000263384926 524090231 /nfs/dbraw/zinc/09/02/31/524090231.db2.gz CQPDSHOTVXJRAN-MRXNPFEDSA-N 0 0 299.370 2.789 20 10 CFCDRN Cc1ccc(C)c(CC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000156654454 524090885 /nfs/dbraw/zinc/09/08/85/524090885.db2.gz JGDGLJRJTZOWBM-UHFFFAOYSA-N 0 0 299.370 2.616 20 10 CFCDRN COc1ccc(CSCC(=O)C(C)=O)cc1Cl ZINC000289692816 524123213 /nfs/dbraw/zinc/12/32/13/524123213.db2.gz QJUXLKWYGYVWNI-UHFFFAOYSA-N 0 0 272.753 2.740 20 10 CFCDRN C[C@H](CCCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294887949 524142040 /nfs/dbraw/zinc/14/20/40/524142040.db2.gz WFZRUZPAEZKKGN-SNVBAGLBSA-N 0 0 257.761 2.544 20 10 CFCDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(N(C)C)cc1 ZINC000277956315 524185748 /nfs/dbraw/zinc/18/57/48/524185748.db2.gz WKGXSJVQEMVUAL-KBPBESRZSA-N 0 0 290.407 2.921 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)O ZINC000265618892 524220186 /nfs/dbraw/zinc/22/01/86/524220186.db2.gz PYIQOFRENOQYOY-GFCCVEGCSA-N 0 0 292.404 2.656 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)s1 ZINC000292061459 524297115 /nfs/dbraw/zinc/29/71/15/524297115.db2.gz GHQRRYMBRLSGFK-UHFFFAOYSA-N 0 0 291.372 2.717 20 10 CFCDRN COc1ccc(N(C)CC2CCC(=O)CC2)c(OC)c1 ZINC000289499376 524350972 /nfs/dbraw/zinc/35/09/72/524350972.db2.gz DHIBMVWHEFRKEO-UHFFFAOYSA-N 0 0 277.364 2.899 20 10 CFCDRN COc1ccc(N(C)CCn2c(C)csc2=O)cc1F ZINC000177065820 524353285 /nfs/dbraw/zinc/35/32/85/524353285.db2.gz BAMKFODHHDRTMJ-UHFFFAOYSA-N 0 0 296.367 2.502 20 10 CFCDRN COc1ccc(N(C)Cc2csnn2)cc1Cl ZINC000180770326 524355141 /nfs/dbraw/zinc/35/51/41/524355141.db2.gz UVZXQMVVUPPEHY-UHFFFAOYSA-N 0 0 269.757 2.837 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)(C)C)[nH]2)cc1F ZINC000292572523 524355408 /nfs/dbraw/zinc/35/54/08/524355408.db2.gz IYLFCBWHCZZIHZ-UHFFFAOYSA-N 0 0 292.358 2.886 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C3CC3)n2)cc1F ZINC000121728407 524355455 /nfs/dbraw/zinc/35/54/55/524355455.db2.gz NTQNGEZVEXUKJV-UHFFFAOYSA-N 0 0 277.299 2.731 20 10 CFCDRN Cc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)s1 ZINC000237083864 524368204 /nfs/dbraw/zinc/36/82/04/524368204.db2.gz YRFDEPXYLJFJLP-UHFFFAOYSA-N 0 0 274.389 2.840 20 10 CFCDRN COc1ccc(N(Cc2cnnn2C)[C@H](C)C2CC2)cc1 ZINC000289425980 524370964 /nfs/dbraw/zinc/37/09/64/524370964.db2.gz WXDLXLWRIRSMSY-GFCCVEGCSA-N 0 0 286.379 2.629 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000301174813 524775141 /nfs/dbraw/zinc/77/51/41/524775141.db2.gz FXCZZGNPHWQJEC-VIFPVBQESA-N 0 0 289.291 2.877 20 10 CFCDRN COc1ccnc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000131432501 524829112 /nfs/dbraw/zinc/82/91/12/524829112.db2.gz QIGGZSQXAXPZKE-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193162388 524833935 /nfs/dbraw/zinc/83/39/35/524833935.db2.gz MVRIXIFCHUFARA-FZMZJTMJSA-N 0 0 298.342 2.716 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC(F)(F)C[C@@H]2CO)c1O ZINC000364843376 524861272 /nfs/dbraw/zinc/86/12/72/524861272.db2.gz LFUOJFOFSQHUFT-LLVKDONJSA-N 0 0 291.725 2.556 20 10 CFCDRN C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168168098 524872789 /nfs/dbraw/zinc/87/27/89/524872789.db2.gz RALBGVLPUGCILH-SKLCBMLGSA-N 0 0 296.219 2.556 20 10 CFCDRN C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168167889 524882587 /nfs/dbraw/zinc/88/25/87/524882587.db2.gz RALBGVLPUGCILH-BWKAKNAASA-N 0 0 296.219 2.556 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC000301243379 525280297 /nfs/dbraw/zinc/28/02/97/525280297.db2.gz NFFZOYCYRWFQGF-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@H]([NH2+]CCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192592786 525338402 /nfs/dbraw/zinc/33/84/02/525338402.db2.gz FHWATTRVSPXNSJ-ZETCQYMHSA-N 0 0 264.152 2.732 20 10 CFCDRN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccc(N(C)C)cc2)C1 ZINC000277881195 525376958 /nfs/dbraw/zinc/37/69/58/525376958.db2.gz PSOCDYLWZNZZMA-OKILXGFUSA-N 0 0 290.407 2.636 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276863537 525412551 /nfs/dbraw/zinc/41/25/51/525412551.db2.gz CYPGRWSNRQYYNQ-VHSXEESVSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000164738332 525457198 /nfs/dbraw/zinc/45/71/98/525457198.db2.gz JLBWUHQYVQNZRE-GXSJLCMTSA-N 0 0 255.745 2.560 20 10 CFCDRN CSCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000077668587 525462342 /nfs/dbraw/zinc/46/23/42/525462342.db2.gz AESRRKZVWRCYBK-UHFFFAOYSA-N 0 0 295.452 2.647 20 10 CFCDRN Cc1[nH]nc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000265208446 525467299 /nfs/dbraw/zinc/46/72/99/525467299.db2.gz KSDUTJWTMZOLBX-UHFFFAOYSA-N 0 0 298.390 2.557 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cn[nH]c1 ZINC000224935874 525532570 /nfs/dbraw/zinc/53/25/70/525532570.db2.gz XCNUKFJBRKWPAF-MRVPVSSYSA-N 0 0 251.717 2.620 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000290128319 525541383 /nfs/dbraw/zinc/54/13/83/525541383.db2.gz JUEIOVSBWDUSGG-ZANVPECISA-N 0 0 285.334 2.872 20 10 CFCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccccc1O)CC2 ZINC000277627857 525571332 /nfs/dbraw/zinc/57/13/32/525571332.db2.gz JZDIQPNFWVGMCZ-HNNXBMFYSA-N 0 0 297.354 2.747 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000278480176 525572698 /nfs/dbraw/zinc/57/26/98/525572698.db2.gz KMGMVVBRWNMOTF-VDDIYKPWSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280865289 525595669 /nfs/dbraw/zinc/59/56/69/525595669.db2.gz CKWGSPNVLDVSGL-JQWIXIFHSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976630 525604814 /nfs/dbraw/zinc/60/48/14/525604814.db2.gz VDSVLNBZPDUDFU-UWJYBYFXSA-N 0 0 271.307 2.625 20 10 CFCDRN Cc1ccnc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000265181859 525696694 /nfs/dbraw/zinc/69/66/94/525696694.db2.gz JDVVXQZLTSFAGP-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000161613826 525792254 /nfs/dbraw/zinc/79/22/54/525792254.db2.gz PTOQFICUHBOEGY-JTQLQIEISA-N 0 0 284.400 2.650 20 10 CFCDRN C[C@@H](OCc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000077258398 525911433 /nfs/dbraw/zinc/91/14/33/525911433.db2.gz XAVOKMXSOZXEOR-CQSZACIVSA-N 0 0 299.370 2.956 20 10 CFCDRN Cc1ccc([C@H](C)N[C@@H](C)c2ncn(C)n2)c(O)c1C ZINC000275726833 525936864 /nfs/dbraw/zinc/93/68/64/525936864.db2.gz ONLGKWJTQHKHTK-RYUDHWBXSA-N 0 0 274.368 2.549 20 10 CFCDRN Cc1cncc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000293303284 526184835 /nfs/dbraw/zinc/18/48/35/526184835.db2.gz HZYNKGDQMUZAIZ-UHFFFAOYSA-N 0 0 284.359 2.687 20 10 CFCDRN Cc1cncc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000302244522 526209734 /nfs/dbraw/zinc/20/97/34/526209734.db2.gz ZNHGYZBHSRQZDF-CQSZACIVSA-N 0 0 298.390 2.795 20 10 CFCDRN Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccccc1 ZINC000078467775 526264081 /nfs/dbraw/zinc/26/40/81/526264081.db2.gz RMEMNQCQVDHPNW-UHFFFAOYSA-N 0 0 299.399 2.927 20 10 CFCDRN O=C(C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247905002 526293062 /nfs/dbraw/zinc/29/30/62/526293062.db2.gz LXPJWYLIYYEHTI-OAHLLOKOSA-N 0 0 289.375 2.700 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228003996 526328823 /nfs/dbraw/zinc/32/88/23/526328823.db2.gz JTAKNAGFTQEZMZ-KGLIPLIRSA-N 0 0 265.328 2.675 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000361070226 526329503 /nfs/dbraw/zinc/32/95/03/526329503.db2.gz WEIDGMRTPOQXSL-ZDUSSCGKSA-N 0 0 275.327 2.565 20 10 CFCDRN Cc1nnc(CN(C)c2ccc(OC(C)C)cc2)n1C ZINC000191598105 526333444 /nfs/dbraw/zinc/33/34/44/526333444.db2.gz YPRSXGOVEMZKMO-UHFFFAOYSA-N 0 0 274.368 2.547 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365839747 526344819 /nfs/dbraw/zinc/34/48/19/526344819.db2.gz VOQWQGGAUMHXOI-JTQLQIEISA-N 0 0 295.745 2.828 20 10 CFCDRN Cc1nnc2ccc(N[C@H](C)c3ccc(N(C)C)cc3)nn12 ZINC000302428159 526414759 /nfs/dbraw/zinc/41/47/59/526414759.db2.gz PGVUJORFWDBNJH-LLVKDONJSA-N 0 0 296.378 2.672 20 10 CFCDRN Cc1noc(-c2ccc(N(C)Cc3ccccc3O)nc2)n1 ZINC000364951550 526450401 /nfs/dbraw/zinc/45/04/01/526450401.db2.gz HEMHEGCEBBCCBH-UHFFFAOYSA-N 0 0 296.330 2.782 20 10 CFCDRN c1ncn2c1CN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000291498855 526617850 /nfs/dbraw/zinc/61/78/50/526617850.db2.gz HEHGKOJKHQAVNW-UHFFFAOYSA-N 0 0 296.418 2.889 20 10 CFCDRN Cn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000041158854 527217976 /nfs/dbraw/zinc/21/79/76/527217976.db2.gz VNLBUOHOXHIACR-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN Cc1nccc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000266201439 527351139 /nfs/dbraw/zinc/35/11/39/527351139.db2.gz DEBSXGCNSVJRFS-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2cccnc2)cc1 ZINC000036798377 527475699 /nfs/dbraw/zinc/47/56/99/527475699.db2.gz YUZUPDRLHSNSKA-INIZCTEOSA-N 0 0 281.359 2.570 20 10 CFCDRN Nc1ccc(CC(=O)N2C[C@@H]3CCCCC[C@H]32)cc1 ZINC000366343704 527476438 /nfs/dbraw/zinc/47/64/38/527476438.db2.gz CHHWTPDBRVYLNZ-DZGCQCFKSA-N 0 0 258.365 2.602 20 10 CFCDRN Cc1ncc(-c2cc(=O)n(C)c3ccccc23)s1 ZINC001243386815 782176018 /nfs/dbraw/zinc/17/60/18/782176018.db2.gz SPMVXWDPQCYMLD-UHFFFAOYSA-N 0 0 256.330 2.970 20 10 CFCDRN COC(=O)/C=C\c1ccc(N(C)CC(C)C)c([N+](=O)[O-])c1 ZINC000744170941 574058439 /nfs/dbraw/zinc/05/84/39/574058439.db2.gz VDENPHSEZRHYEG-VURMDHGXSA-N 0 0 292.335 2.873 20 10 CFCDRN Oc1ccccc1CNC(=S)NCCc1cccs1 ZINC000727700842 574061738 /nfs/dbraw/zinc/06/17/38/574061738.db2.gz CDKIDVJGVWVCHP-UHFFFAOYSA-N 0 0 292.429 2.661 20 10 CFCDRN CCc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000736682462 574065544 /nfs/dbraw/zinc/06/55/44/574065544.db2.gz IKBSJOWQUCJOKO-UHFFFAOYSA-N 0 0 275.373 2.989 20 10 CFCDRN COC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000754309039 574098060 /nfs/dbraw/zinc/09/80/60/574098060.db2.gz CDGIQKUFORPOPA-CYBMUJFWSA-N 0 0 290.407 2.889 20 10 CFCDRN COc1cc(C)cc(CN(C)Cc2cc(C)on2)c1O ZINC000754725757 574117003 /nfs/dbraw/zinc/11/70/03/574117003.db2.gz CNFLYIABDSEYOC-UHFFFAOYSA-N 0 0 276.336 2.638 20 10 CFCDRN Cc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000745767133 574125428 /nfs/dbraw/zinc/12/54/28/574125428.db2.gz GYQGPDIMPDCFHK-UHFFFAOYSA-N 0 0 299.374 2.854 20 10 CFCDRN COCc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000731872036 574131245 /nfs/dbraw/zinc/13/12/45/574131245.db2.gz UNTQUYPRUWAEAE-UHFFFAOYSA-N 0 0 277.345 2.530 20 10 CFCDRN O=C(NCCCSc1nccs1)C1CCC(=O)CC1 ZINC000746020542 574131610 /nfs/dbraw/zinc/13/16/10/574131610.db2.gz YNLSTLNQAANEPJ-UHFFFAOYSA-N 0 0 298.433 2.501 20 10 CFCDRN CN(CCOc1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000731866697 574132297 /nfs/dbraw/zinc/13/22/97/574132297.db2.gz YLEPWLSYGVDGJA-UHFFFAOYSA-N 0 0 295.335 2.744 20 10 CFCDRN O=C(Nc1ccc2n[nH]cc2c1)C1=CC(=O)CS1 ZINC000731867393 574132309 /nfs/dbraw/zinc/13/23/09/574132309.db2.gz IRIMMDUJFBVLET-UHFFFAOYSA-N 0 0 259.290 2.582 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)OCO2 ZINC000731869309 574132682 /nfs/dbraw/zinc/13/26/82/574132682.db2.gz PMPYOIPBOXNKHU-MRVPVSSYSA-N 0 0 291.328 2.673 20 10 CFCDRN CCN(Cc1cccc(C(N)=O)c1)c1ccc(OC)cc1 ZINC000746109510 574134391 /nfs/dbraw/zinc/13/43/91/574134391.db2.gz RMTUHDQYCVSLCG-UHFFFAOYSA-N 0 0 284.359 2.821 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N(C)CC2CC2)cc1 ZINC000746158720 574137910 /nfs/dbraw/zinc/13/79/10/574137910.db2.gz FWYRJCQCOQUVET-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSC(C)C)c1 ZINC000728978274 574143143 /nfs/dbraw/zinc/14/31/43/574143143.db2.gz NORNKYHXOMDUME-SNVBAGLBSA-N 0 0 283.393 2.720 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccco2)c1 ZINC000728979803 574143250 /nfs/dbraw/zinc/14/32/50/574143250.db2.gz NJYRLJWPFHGBNJ-LLVKDONJSA-N 0 0 289.331 2.804 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccccc2)C1 ZINC000732266389 574148040 /nfs/dbraw/zinc/14/80/40/574148040.db2.gz APEVWJLPZFNRQD-CYBMUJFWSA-N 0 0 289.356 2.667 20 10 CFCDRN Cn1cccc1[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732267364 574148253 /nfs/dbraw/zinc/14/82/53/574148253.db2.gz ZGGXXHIZVCEMFE-GFCCVEGCSA-N 0 0 276.361 2.770 20 10 CFCDRN O=C(NC[C@H]1Cc2ccccc21)C1=CC(=O)CS1 ZINC000732273749 574148461 /nfs/dbraw/zinc/14/84/61/574148461.db2.gz BIERDXQJWIPMPK-SNVBAGLBSA-N 0 0 259.330 2.523 20 10 CFCDRN O=C(Nc1ccc2c[nH]nc2c1)C1=CC(=O)CS1 ZINC000732269425 574148586 /nfs/dbraw/zinc/14/85/86/574148586.db2.gz XRZMIPIVCYCQAA-UHFFFAOYSA-N 0 0 259.290 2.582 20 10 CFCDRN O=C(NCc1ccc2ccccc2n1)C1=CC(=O)CS1 ZINC000732270712 574148621 /nfs/dbraw/zinc/14/86/21/574148621.db2.gz GBHIHHLLNCOHAF-UHFFFAOYSA-N 0 0 284.340 2.932 20 10 CFCDRN C[C@H](Cc1ccsc1)NC(=O)C1=CC(=O)CS1 ZINC000732276912 574149145 /nfs/dbraw/zinc/14/91/45/574149145.db2.gz WOARRYKGHCDDFU-MRVPVSSYSA-N 0 0 267.375 2.876 20 10 CFCDRN Cc1cccc(OC[C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732276052 574149518 /nfs/dbraw/zinc/14/95/18/574149518.db2.gz DYRWLKKJRSBDEV-NSHDSACASA-N 0 0 291.372 2.959 20 10 CFCDRN COc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1F ZINC000732286329 574149851 /nfs/dbraw/zinc/14/98/51/574149851.db2.gz QWGWQUXSZQSYIC-UHFFFAOYSA-N 0 0 295.335 2.574 20 10 CFCDRN O=C(N[C@@H]1CCOc2ccc(F)cc21)C1=CC(=O)CS1 ZINC000732291339 574150574 /nfs/dbraw/zinc/15/05/74/574150574.db2.gz VUQWOXZLIAVJPY-LLVKDONJSA-N 0 0 293.319 2.846 20 10 CFCDRN CCCOc1ccc(CNC(=O)C2=CC(=O)CS2)cn1 ZINC000732289977 574150848 /nfs/dbraw/zinc/15/08/48/574150848.db2.gz NXGBUFKJDMRMMI-UHFFFAOYSA-N 0 0 292.360 2.568 20 10 CFCDRN CC(C)C[C@H](C)N(C)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353166 574152772 /nfs/dbraw/zinc/15/27/72/574152772.db2.gz MZSAOMRUKJSJCV-JTQLQIEISA-N 0 0 299.392 2.504 20 10 CFCDRN Cc1cccc2nc(COC(=O)C3=CC(=O)CS3)cn21 ZINC000732353970 574153238 /nfs/dbraw/zinc/15/32/38/574153238.db2.gz XJYPRQMVBRKYMR-UHFFFAOYSA-N 0 0 288.328 2.767 20 10 CFCDRN COc1ccc(CCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732354343 574153250 /nfs/dbraw/zinc/15/32/50/574153250.db2.gz JWROHCKDWNIVCQ-UHFFFAOYSA-N 0 0 278.329 2.862 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3cccs3)ccc21 ZINC000169815281 574156392 /nfs/dbraw/zinc/15/63/92/574156392.db2.gz OWALMDKEVRMGAZ-UHFFFAOYSA-N 0 0 272.373 2.670 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@H]1CCc2ccccc21 ZINC000732458749 574157997 /nfs/dbraw/zinc/15/79/97/574157997.db2.gz MASNZBIVNZIDAN-CQSZACIVSA-N 0 0 296.370 2.921 20 10 CFCDRN CO[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732574857 574161163 /nfs/dbraw/zinc/16/11/63/574161163.db2.gz DDUUAKNIRKEAED-LBPRGKRZSA-N 0 0 277.345 2.571 20 10 CFCDRN C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1O ZINC000732578813 574161931 /nfs/dbraw/zinc/16/19/31/574161931.db2.gz SIBIKBSPLZTZBR-ZDUSSCGKSA-N 0 0 269.344 2.887 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CCCCC3)ccc21 ZINC000746706323 574164056 /nfs/dbraw/zinc/16/40/56/574164056.db2.gz OWBPRZKUOYHFOL-UHFFFAOYSA-N 0 0 287.407 2.765 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2CC2(C)C)cc1F ZINC000732825969 574173911 /nfs/dbraw/zinc/17/39/11/574173911.db2.gz DMAIQQKQEOPEJP-LBPRGKRZSA-N 0 0 293.386 2.737 20 10 CFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccon1 ZINC000747164071 574184210 /nfs/dbraw/zinc/18/42/10/574184210.db2.gz HXCVGVQOGXYUBB-UHFFFAOYSA-N 0 0 285.347 2.595 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCCc2ccccn2)cc1 ZINC000729257350 574192887 /nfs/dbraw/zinc/19/28/87/574192887.db2.gz DXOYSGUUAVBOSN-UHFFFAOYSA-N 0 0 297.402 2.787 20 10 CFCDRN O=C(CSc1ccc(Cl)nn1)c1ccc(O)c(O)c1 ZINC000747806556 574213188 /nfs/dbraw/zinc/21/31/88/574213188.db2.gz TUNOWVLATXRIQJ-UHFFFAOYSA-N 0 0 296.735 2.516 20 10 CFCDRN CCN(CCC[NH2+]Cc1c(O)cccc1Cl)C(=O)[O-] ZINC000739422020 574213347 /nfs/dbraw/zinc/21/33/47/574213347.db2.gz SRXUFFJNJIDUPU-UHFFFAOYSA-N 0 0 286.759 2.525 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 ZINC000729422481 574214721 /nfs/dbraw/zinc/21/47/21/574214721.db2.gz CNBHNPGNVRYOCV-YBJDMEARSA-N 0 0 279.343 2.715 20 10 CFCDRN Oc1ccc2ccncc2c1C[NH+]1CCN(C2CCC2)CC1 ZINC000733296326 574218842 /nfs/dbraw/zinc/21/88/42/574218842.db2.gz LEYFDPFFCCDOBX-UHFFFAOYSA-N 0 0 297.402 2.611 20 10 CFCDRN CN(C)c1ccc(C[NH2+]CCCCCCC(=O)[O-])cc1 ZINC000756280327 574220787 /nfs/dbraw/zinc/22/07/87/574220787.db2.gz AIBKSPZCZUUERU-UHFFFAOYSA-N 0 0 278.396 2.877 20 10 CFCDRN COc1cccc(CNC(=S)Nc2cccc(C)c2)n1 ZINC000748044438 574226518 /nfs/dbraw/zinc/22/65/18/574226518.db2.gz AHRHQMLRNSTANL-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN COc1ccc(C[NH2+][C@@](C)(CNC(=O)[O-])C(C)C)cc1C ZINC000739904947 574228041 /nfs/dbraw/zinc/22/80/41/574228041.db2.gz YSBHFRILCDGNLI-INIZCTEOSA-N 0 0 294.395 2.776 20 10 CFCDRN COc1ccc(C[NH2+]CCCN(C(=O)[O-])C2CC2)cc1C ZINC000739904099 574228135 /nfs/dbraw/zinc/22/81/35/574228135.db2.gz STUJYPODJUZDDY-UHFFFAOYSA-N 0 0 292.379 2.626 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756383249 574231631 /nfs/dbraw/zinc/23/16/31/574231631.db2.gz XBVXRAODWZJWSD-PRHODGIISA-N 0 0 283.274 2.648 20 10 CFCDRN Cc1ccc(C(=O)OCCOCCC(C)C)c(O)c1O ZINC000733476359 574242804 /nfs/dbraw/zinc/24/28/04/574242804.db2.gz OSQQASKEHLHQDV-UHFFFAOYSA-N 0 0 282.336 2.626 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756524529 574243738 /nfs/dbraw/zinc/24/37/38/574243738.db2.gz KCCGVKXHLLJIEY-LBPRGKRZSA-N 0 0 295.383 2.681 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756542641 574244743 /nfs/dbraw/zinc/24/47/43/574244743.db2.gz CGXPDAOIGJUESP-MRVPVSSYSA-N 0 0 268.263 2.818 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2ccccc2[nH]c1=O ZINC000748345313 574247599 /nfs/dbraw/zinc/24/75/99/574247599.db2.gz FFKGEDNKCCPTLG-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN CCC(=O)Nc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000748346494 574247618 /nfs/dbraw/zinc/24/76/18/574247618.db2.gz YPLKHNIPHUURPQ-UHFFFAOYSA-N 0 0 298.342 2.671 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccccc1-n1cccn1 ZINC000748345841 574247828 /nfs/dbraw/zinc/24/78/28/574247828.db2.gz PMGOTGFSATXQND-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1[O-] ZINC000756571612 574248746 /nfs/dbraw/zinc/24/87/46/574248746.db2.gz HKGURCFLYFYSGR-LLVKDONJSA-N 0 0 276.311 2.656 20 10 CFCDRN O=C(CCc1ccccc1F)NCc1ccccc1O ZINC000748354027 574249024 /nfs/dbraw/zinc/24/90/24/574249024.db2.gz VHNZZKHMBACSSP-UHFFFAOYSA-N 0 0 273.307 2.780 20 10 CFCDRN CCN(Cc1nccc(C)n1)c1ccc(OC)cc1 ZINC000756578946 574249837 /nfs/dbraw/zinc/24/98/37/574249837.db2.gz JSCSJMROCXNSTO-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CC[C@H](COC)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756589943 574250994 /nfs/dbraw/zinc/25/09/94/574250994.db2.gz BZICGYIQVMNILA-PSASIEDQSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756605261 574251822 /nfs/dbraw/zinc/25/18/22/574251822.db2.gz RRRZQVOJPHDMCK-GUBZILKMSA-N 0 0 273.323 2.728 20 10 CFCDRN O=C([O-])N1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000740512911 574252130 /nfs/dbraw/zinc/25/21/30/574252130.db2.gz QTDODEBPPWLQIX-JTQLQIEISA-N 0 0 298.770 2.525 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756623189 574252275 /nfs/dbraw/zinc/25/22/75/574252275.db2.gz AXFOLJVRVPDNEN-IJLUTSLNSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756644308 574254737 /nfs/dbraw/zinc/25/47/37/574254737.db2.gz FBBIXTVWSUXQKN-QMTHXVAHSA-N 0 0 280.324 2.520 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756647164 574255425 /nfs/dbraw/zinc/25/54/25/574255425.db2.gz QYKFBENUCKRGHH-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756647166 574255457 /nfs/dbraw/zinc/25/54/57/574255457.db2.gz QYKFBENUCKRGHH-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN CN(C[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 ZINC000756653331 574255732 /nfs/dbraw/zinc/25/57/32/574255732.db2.gz HBNWBYZBHCZANY-CYBMUJFWSA-N 0 0 299.326 2.692 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756710250 574257694 /nfs/dbraw/zinc/25/76/94/574257694.db2.gz AKXHYYUGRDFELW-ZJUUUORDSA-N 0 0 264.325 2.997 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000756735572 574260183 /nfs/dbraw/zinc/26/01/83/574260183.db2.gz FOVRNVBZHQZABV-JTQLQIEISA-N 0 0 263.337 2.630 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768020 574261355 /nfs/dbraw/zinc/26/13/55/574261355.db2.gz IBVOMOOMXPJVQH-VIFPVBQESA-N 0 0 291.282 2.685 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756778045 574262380 /nfs/dbraw/zinc/26/23/80/574262380.db2.gz LVHWVDCJSNMUEI-RKDXNWHRSA-N 0 0 278.331 2.624 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnc3ccccn23)SC1=S ZINC000740764583 574266434 /nfs/dbraw/zinc/26/64/34/574266434.db2.gz YTEVSEFLSCRYNG-JXMROGBWSA-N 0 0 289.385 2.555 20 10 CFCDRN CCc1ccc(O)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000748840501 574271206 /nfs/dbraw/zinc/27/12/06/574271206.db2.gz LULIDRGZNNGNRM-UHFFFAOYSA-N 0 0 285.343 2.932 20 10 CFCDRN O=C(Nc1cc(F)ccc1O)C1=CC(=O)CS1 ZINC000748854781 574272095 /nfs/dbraw/zinc/27/20/95/574272095.db2.gz ZHOSISNLKQSDRK-UHFFFAOYSA-N 0 0 253.254 2.551 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc2c(cc1O)CCC2 ZINC000756908963 574272830 /nfs/dbraw/zinc/27/28/30/574272830.db2.gz NBEVNUKXEYDUPI-UHFFFAOYSA-N 0 0 291.391 2.656 20 10 CFCDRN C/C=C/C=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000734406539 574285436 /nfs/dbraw/zinc/28/54/36/574285436.db2.gz UQSAAKNYPFRNGN-MDAAKZFYSA-N 0 0 258.365 2.810 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)C(C)(C)C)c1 ZINC000734550572 574292207 /nfs/dbraw/zinc/29/22/07/574292207.db2.gz SBHFWBZTLDYXFP-JTQLQIEISA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(F)(F)C(F)F ZINC000749391646 574292770 /nfs/dbraw/zinc/29/27/70/574292770.db2.gz NDTWNMAVFPDOCL-UHFFFAOYSA-N 0 0 292.276 2.578 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2nccc(N)n2)cc1 ZINC000749513888 574298524 /nfs/dbraw/zinc/29/85/24/574298524.db2.gz GLZADWVDNHOFAG-UHFFFAOYSA-N 0 0 299.422 2.537 20 10 CFCDRN CO[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749585554 574300995 /nfs/dbraw/zinc/30/09/95/574300995.db2.gz BPRPHKIFZGFGFT-CQSZACIVSA-N 0 0 290.407 2.718 20 10 CFCDRN CO[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749585551 574301245 /nfs/dbraw/zinc/30/12/45/574301245.db2.gz BPRPHKIFZGFGFT-AWEZNQCLSA-N 0 0 290.407 2.718 20 10 CFCDRN Cc1ccc([C@@H]2COCCN2C(=O)C2=CC(=O)CS2)o1 ZINC000735124943 574313869 /nfs/dbraw/zinc/31/38/69/574313869.db2.gz GVWFYXGOBXNBIF-NSHDSACASA-N 0 0 293.344 2.569 20 10 CFCDRN COC1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000749922666 574316162 /nfs/dbraw/zinc/31/61/62/574316162.db2.gz ITGZNJBIYXHEKT-UHFFFAOYSA-N 0 0 294.351 2.595 20 10 CFCDRN Cc1nccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000742397788 574327551 /nfs/dbraw/zinc/32/75/51/574327551.db2.gz VBSMNCHYSSGKQS-CYBMUJFWSA-N 0 0 298.390 2.795 20 10 CFCDRN O=C(NCCOC1CCCCCC1)C1=CC(=O)CS1 ZINC000735702901 574333595 /nfs/dbraw/zinc/33/35/95/574333595.db2.gz SEQDLOZLBMLCQY-UHFFFAOYSA-N 0 0 283.393 2.923 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccc(F)cc2)c(O)c1O ZINC000750618672 574349590 /nfs/dbraw/zinc/34/95/90/574349590.db2.gz JVNSUKROJDEHAV-UHFFFAOYSA-N 0 0 276.263 2.902 20 10 CFCDRN Cc1ccc(F)c(NC(=S)NCc2cccn2C)c1 ZINC000743061277 574352931 /nfs/dbraw/zinc/35/29/31/574352931.db2.gz HHHSDQQBKUUIBJ-UHFFFAOYSA-N 0 0 277.368 2.959 20 10 CFCDRN CCCC(O)(CCC)CNC(=O)C1=CC(=O)CS1 ZINC000743716376 574371444 /nfs/dbraw/zinc/37/14/44/574371444.db2.gz YBWBDWZMARVQHK-UHFFFAOYSA-N 0 0 271.382 2.515 20 10 CFCDRN C/C=C(/C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751361778 574375307 /nfs/dbraw/zinc/37/53/07/574375307.db2.gz RGPYBUSOWNZPLR-HNFXJGKRSA-N 0 0 288.391 2.667 20 10 CFCDRN CNC(=O)c1cnc(/C=C\c2ccc3c(c2)CCN3C)s1 ZINC000751535934 574378775 /nfs/dbraw/zinc/37/87/75/574378775.db2.gz RKONGHHKIAUFBF-XQRVVYSFSA-N 0 0 299.399 2.665 20 10 CFCDRN CC1(C)C(NC(=O)NCc2ccccc2O)C1(C)C ZINC000752019484 574386783 /nfs/dbraw/zinc/38/67/83/574386783.db2.gz KKPKUKRYSYZOFT-UHFFFAOYSA-N 0 0 262.353 2.626 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N(C)c1ccc(OC)cc1OC ZINC000752126855 574388285 /nfs/dbraw/zinc/38/82/85/574388285.db2.gz WAAVYUOSIULJRM-GFCCVEGCSA-N 0 0 295.379 2.872 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccnc1C1CC1 ZINC000752595576 574393008 /nfs/dbraw/zinc/39/30/08/574393008.db2.gz GSYNOHZGBLQHSJ-UHFFFAOYSA-N 0 0 268.316 2.595 20 10 CFCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000752816361 574395468 /nfs/dbraw/zinc/39/54/68/574395468.db2.gz SIVCBFLQYDMWBY-GWCFXTLKSA-N 0 0 283.393 2.635 20 10 CFCDRN CN(C[C@H]1CC=CCC1)C(=O)C1=CC(=O)CS1 ZINC000753504081 574403463 /nfs/dbraw/zinc/40/34/63/574403463.db2.gz QXMVZIKVTJRPNA-JTQLQIEISA-N 0 0 251.351 2.882 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(C)c(C)cc1O ZINC000753571080 574404922 /nfs/dbraw/zinc/40/49/22/574404922.db2.gz ZJGTZGKOPWRCHP-HNNXBMFYSA-N 0 0 291.391 2.830 20 10 CFCDRN CC(C)C1CN(C(=O)NCCCSc2nccs2)C1 ZINC000753654894 574407603 /nfs/dbraw/zinc/40/76/03/574407603.db2.gz DOHCMKWOMKIQNI-UHFFFAOYSA-N 0 0 299.465 2.923 20 10 CFCDRN O=C([O-])CC1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000833205598 601562322 /nfs/dbraw/zinc/56/23/22/601562322.db2.gz IIGPMZQCZJZWJX-UHFFFAOYSA-N 0 0 263.337 2.659 20 10 CFCDRN CC[C@H]([NH2+]CCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000818143598 597247919 /nfs/dbraw/zinc/24/79/19/597247919.db2.gz DPTYERFINLFNSY-AWEZNQCLSA-N 0 0 264.369 2.658 20 10 CFCDRN C[C@H]([NH2+]CCCCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000820142463 598171474 /nfs/dbraw/zinc/17/14/74/598171474.db2.gz VVHIRBSOAPLLQT-LBPRGKRZSA-N 0 0 264.369 2.658 20 10 CFCDRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)o1 ZINC000740133064 600525345 /nfs/dbraw/zinc/52/53/45/600525345.db2.gz TURQOXKEKOVIAW-UHFFFAOYSA-N 0 0 281.695 2.627 20 10 CFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000833249493 601007084 /nfs/dbraw/zinc/00/70/84/601007084.db2.gz RUCJFARCEODQEW-UHFFFAOYSA-N 0 0 283.755 2.732 20 10 CFCDRN CCC(CC)(CNC(=O)[O-])[NH2+]Cc1cc(C)ccc1O ZINC000739253055 602876562 /nfs/dbraw/zinc/87/65/62/602876562.db2.gz AOEBDMYJNUTQJB-UHFFFAOYSA-N 0 0 280.368 2.617 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCF)cc1 ZINC000900261696 620655751 /nfs/dbraw/zinc/65/57/51/620655751.db2.gz WKWRZUBKRCABPL-UHFFFAOYSA-N 0 0 252.333 2.509 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c(O)c1 ZINC000935770610 649941507 /nfs/dbraw/zinc/94/15/07/649941507.db2.gz HPJQZCBXUPHXDG-TUKIKUTGSA-N 0 0 289.375 2.843 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825490174 604294905 /nfs/dbraw/zinc/29/49/05/604294905.db2.gz IKPVHEKYQVSTKV-IUODEOHRSA-N 0 0 291.395 2.546 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])o2)c1 ZINC000833734035 605124750 /nfs/dbraw/zinc/12/47/50/605124750.db2.gz ZUYIHWJJGNIMDX-SECBINFHSA-N 0 0 291.303 2.543 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CC1(C)COC1 ZINC000935854742 649955768 /nfs/dbraw/zinc/95/57/68/649955768.db2.gz FWYHHYZQCRLETD-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN C[N@H+](Cc1cc(F)ccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694100 605482887 /nfs/dbraw/zinc/48/28/87/605482887.db2.gz KDRCNDLWKPKGHF-OAHLLOKOSA-N 0 0 289.306 2.789 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1C ZINC000833746996 605930014 /nfs/dbraw/zinc/93/00/14/605930014.db2.gz NSOXBTBCFQGXLF-AWEZNQCLSA-N 0 0 277.364 2.838 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1=CC(=O)CS1 ZINC000935945599 649963891 /nfs/dbraw/zinc/96/38/91/649963891.db2.gz DBYUFFQCJGBUFL-UHFFFAOYSA-N 0 0 298.360 2.575 20 10 CFCDRN C[C@@H]1OCCN(Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093418110 623713707 /nfs/dbraw/zinc/71/37/07/623713707.db2.gz NWHOMKMZDSJMOJ-UWVGGRQHSA-N 0 0 255.745 2.655 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759353 617836595 /nfs/dbraw/zinc/83/65/95/617836595.db2.gz AFVUQUBPVTWYBE-MRVPVSSYSA-N 0 0 273.785 2.803 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890759959 617838535 /nfs/dbraw/zinc/83/85/35/617838535.db2.gz XFLWCIBCECQYTD-GHMZBOCLSA-N 0 0 267.756 2.954 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1O ZINC000890760888 617838587 /nfs/dbraw/zinc/83/85/87/617838587.db2.gz CYYRWIIWSUQTDV-GFCCVEGCSA-N 0 0 285.771 2.723 20 10 CFCDRN C[C@H](CC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000890761746 617840938 /nfs/dbraw/zinc/84/09/38/617840938.db2.gz WJFURBUTNXAQPX-MFKMUULPSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(F)c1 ZINC000049802854 617969885 /nfs/dbraw/zinc/96/98/85/617969885.db2.gz PXFQYERIXZVNLU-FNORWQNLSA-N 0 0 273.263 2.889 20 10 CFCDRN COc1cc(O)c(CN2Cc3ccccc3C2)cc1OC ZINC000160155880 617604905 /nfs/dbraw/zinc/60/49/05/617604905.db2.gz PSBUKUKVTGHYFV-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN COc1cccc(CNC(=O)OCCC(C)C)c1O ZINC000859006655 617653318 /nfs/dbraw/zinc/65/33/18/617653318.db2.gz RJETYXKTLGPDFJ-UHFFFAOYSA-N 0 0 267.325 2.673 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C\c1cncc(O)c1)CC2 ZINC000255369425 617682803 /nfs/dbraw/zinc/68/28/03/617682803.db2.gz VHPYDSXWKXJDCB-WAYWQWQTSA-N 0 0 280.327 2.698 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CNc1ccccn1 ZINC000901053438 620747620 /nfs/dbraw/zinc/74/76/20/620747620.db2.gz PFWLWHDAHVHZAY-UHFFFAOYSA-N 0 0 299.374 2.638 20 10 CFCDRN COc1ccc(CNc2ncc(SC)cn2)c(O)c1 ZINC000804681623 617801499 /nfs/dbraw/zinc/80/14/99/617801499.db2.gz ALQZWFQXXOAJBB-UHFFFAOYSA-N 0 0 277.349 2.525 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CC3)C2)cc1OC ZINC000804688213 617812371 /nfs/dbraw/zinc/81/23/71/617812371.db2.gz HGLPARYEQJGELM-UHFFFAOYSA-N 0 0 278.308 2.602 20 10 CFCDRN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc(O)c1O ZINC000308721308 617827586 /nfs/dbraw/zinc/82/75/86/617827586.db2.gz CUBYCYNETYRRKE-ZUZCIYMTSA-N 0 0 263.337 2.796 20 10 CFCDRN CC1(C(=O)NCc2cccc(Cl)c2O)CCC(=O)CC1 ZINC000890760951 617839499 /nfs/dbraw/zinc/83/94/99/617839499.db2.gz GGVDBVJHEMDMPH-UHFFFAOYSA-N 0 0 295.766 2.811 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@]12CCC[C@H]1OCC2 ZINC000890763641 617843580 /nfs/dbraw/zinc/84/35/80/617843580.db2.gz ZGRJVOBTDPOKTH-DOMZBBRYSA-N 0 0 295.766 2.621 20 10 CFCDRN CCC1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804739906 617859331 /nfs/dbraw/zinc/85/93/31/617859331.db2.gz YCHVPDQWJFWYAO-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN Cc1ccc(C(=O)N2CCCc3ccccc32)c(O)c1O ZINC000179379120 620757869 /nfs/dbraw/zinc/75/78/69/620757869.db2.gz GJBNRWQKRBMUPU-UHFFFAOYSA-N 0 0 283.327 2.999 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC000924044698 617918946 /nfs/dbraw/zinc/91/89/46/617918946.db2.gz XDONNLDETAKXLG-WYUUTHIRSA-N 0 0 292.354 2.623 20 10 CFCDRN COC1(CNC(=O)C2=CC(=O)CS2)CCCCCC1 ZINC000890838778 617922330 /nfs/dbraw/zinc/92/23/30/617922330.db2.gz ATAKXDUZZQKJLP-UHFFFAOYSA-N 0 0 283.393 2.923 20 10 CFCDRN CCC(C)(C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000892038927 617922654 /nfs/dbraw/zinc/92/26/54/617922654.db2.gz KROLGPBGCCAVDG-UHFFFAOYSA-N 0 0 277.412 2.937 20 10 CFCDRN CC/C=C(/C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000255059084 617936526 /nfs/dbraw/zinc/93/65/26/617936526.db2.gz KQLXNJDJHZLGQH-SDQBBNPISA-N 0 0 274.364 2.834 20 10 CFCDRN O=C1NC(=S)SC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000255491201 617997111 /nfs/dbraw/zinc/99/71/11/617997111.db2.gz VGNKVALBVHLGPK-UXBLZVDNSA-N 0 0 287.369 2.566 20 10 CFCDRN Cc1cc(C(N)=O)c(C)n1-c1ccccc1Br ZINC000046701668 618057634 /nfs/dbraw/zinc/05/76/34/618057634.db2.gz QPVJMYSRSMOKGM-UHFFFAOYSA-N 0 0 293.164 2.956 20 10 CFCDRN CCc1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000049157494 618079322 /nfs/dbraw/zinc/07/93/22/618079322.db2.gz VWIAXKUMYSIYIO-UHFFFAOYSA-N 0 0 289.404 2.702 20 10 CFCDRN CC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000135594047 618093148 /nfs/dbraw/zinc/09/31/48/618093148.db2.gz IWTMCINVMBRXHJ-UHFFFAOYSA-N 0 0 299.374 2.540 20 10 CFCDRN CC[C@H](Nc1cnn(CCO)c1)c1cccc(Cl)c1O ZINC000806155145 618107524 /nfs/dbraw/zinc/10/75/24/618107524.db2.gz NPMAFRGWHTTXCW-ZDUSSCGKSA-N 0 0 295.770 2.798 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]1CO ZINC000889136760 618111021 /nfs/dbraw/zinc/11/10/21/618111021.db2.gz NZFCBFDJYDVTSN-OAHLLOKOSA-N 0 0 298.386 2.609 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840860228 618140783 /nfs/dbraw/zinc/14/07/83/618140783.db2.gz QUEMSZCLKJEYOH-OPRDCNLKSA-N 0 0 282.365 2.845 20 10 CFCDRN CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000177886639 618148083 /nfs/dbraw/zinc/14/80/83/618148083.db2.gz GCUCFZVAJZFARM-UHFFFAOYSA-N 0 0 258.365 2.703 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)C[C@@H]2C)c(O)c1O ZINC000840530745 618209961 /nfs/dbraw/zinc/20/99/61/618209961.db2.gz HLRSEQNFGIHCQV-JTQLQIEISA-N 0 0 263.337 2.667 20 10 CFCDRN COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1OC ZINC000891449186 618213887 /nfs/dbraw/zinc/21/38/87/618213887.db2.gz NUFXXLVVPHQMQU-RYUDHWBXSA-N 0 0 279.380 2.887 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000894021166 618272587 /nfs/dbraw/zinc/27/25/87/618272587.db2.gz PPQCHWFDGQXVFG-CYBMUJFWSA-N 0 0 295.285 2.837 20 10 CFCDRN C[C@H]1SCC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894035224 618277698 /nfs/dbraw/zinc/27/76/98/618277698.db2.gz WRNNQNLJYRYPHF-RKDXNWHRSA-N 0 0 273.348 2.996 20 10 CFCDRN Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2n1 ZINC000178980104 618280334 /nfs/dbraw/zinc/28/03/34/618280334.db2.gz XYNZKPDGDJKHTA-UHFFFAOYSA-N 0 0 294.358 2.770 20 10 CFCDRN COc1ccccc1COC(=O)c1ccc(C)c(O)c1O ZINC000727003723 618286304 /nfs/dbraw/zinc/28/63/04/618286304.db2.gz DCTOJRIQNIWHAJ-UHFFFAOYSA-N 0 0 288.299 2.772 20 10 CFCDRN COCc1cccc(C(=O)Nc2ccc(N)cc2)c1 ZINC000237226125 618298570 /nfs/dbraw/zinc/29/85/70/618298570.db2.gz XRKAZVWSEOKRFB-UHFFFAOYSA-N 0 0 256.305 2.668 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(=O)OC ZINC000895128346 618348362 /nfs/dbraw/zinc/34/83/62/618348362.db2.gz XHKIVDJHBQOWJL-JTQLQIEISA-N 0 0 285.771 2.643 20 10 CFCDRN CC[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)C(=O)OC ZINC000895128347 618348785 /nfs/dbraw/zinc/34/87/85/618348785.db2.gz XHKIVDJHBQOWJL-SNVBAGLBSA-N 0 0 285.771 2.643 20 10 CFCDRN CCCn1cc(NCc2cc(C)cc(OC)c2O)cn1 ZINC000894136706 618383198 /nfs/dbraw/zinc/38/31/98/618383198.db2.gz BZDRHYGNYOTCEA-UHFFFAOYSA-N 0 0 275.352 2.928 20 10 CFCDRN Oc1ccccc1CNC(=S)Nc1ccc(Cl)nc1 ZINC000727083100 618428583 /nfs/dbraw/zinc/42/85/83/618428583.db2.gz XQKGKDDPJHCLAK-UHFFFAOYSA-N 0 0 293.779 2.927 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCCCC2)c1[O-] ZINC000092107051 618433025 /nfs/dbraw/zinc/43/30/25/618433025.db2.gz MLKHNDVFOGGNMM-UHFFFAOYSA-N 0 0 270.716 2.940 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NCCSC)cc1 ZINC000726234974 618457042 /nfs/dbraw/zinc/45/70/42/618457042.db2.gz QHTYFEMWPVXLLO-UHFFFAOYSA-N 0 0 295.452 2.695 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCSC ZINC000726278940 618460685 /nfs/dbraw/zinc/46/06/85/618460685.db2.gz PCUVPWSSPNULBQ-UHFFFAOYSA-N 0 0 295.452 2.647 20 10 CFCDRN CCc1cnc(NC(=O)NCCc2ccc(N)cc2)s1 ZINC000841131088 618460750 /nfs/dbraw/zinc/46/07/50/618460750.db2.gz WURWZSUTNDZBLS-UHFFFAOYSA-N 0 0 290.392 2.652 20 10 CFCDRN Cc1ccc(C(=O)NC2CCCCCC2)c(O)c1O ZINC000177658017 618465996 /nfs/dbraw/zinc/46/59/96/618465996.db2.gz OMVIDUWIZHXBCW-UHFFFAOYSA-N 0 0 263.337 2.859 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)C ZINC000193777866 618471067 /nfs/dbraw/zinc/47/10/67/618471067.db2.gz XZIXYSVZXKSOMZ-UHFFFAOYSA-N 0 0 250.342 2.580 20 10 CFCDRN CN(C)c1ccc(CN2CC[C@@H]2C(F)F)cc1F ZINC000895430719 618578500 /nfs/dbraw/zinc/57/85/00/618578500.db2.gz HCLDNDSTOGVYPL-GFCCVEGCSA-N 0 0 258.287 2.731 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000895461033 618597087 /nfs/dbraw/zinc/59/70/87/618597087.db2.gz KPVAGVUVBGXZMK-GXSJLCMTSA-N 0 0 285.359 2.855 20 10 CFCDRN Cc1cnnc(NCCCSc2nccs2)c1 ZINC000892515479 618604837 /nfs/dbraw/zinc/60/48/37/618604837.db2.gz SSGVAJCOXQVCDK-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN CC(C)(CNC(=O)NCc1ccccc1O)C1CC1 ZINC000892527569 618609695 /nfs/dbraw/zinc/60/96/95/618609695.db2.gz RPMUGSNUINKLTA-UHFFFAOYSA-N 0 0 262.353 2.628 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(F)n1 ZINC000901436748 620820280 /nfs/dbraw/zinc/82/02/80/620820280.db2.gz ZZRLDSGXIINWNY-LUAWRHEFSA-N 0 0 291.351 2.677 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)C1CCC1 ZINC000935945396 618714087 /nfs/dbraw/zinc/71/40/87/618714087.db2.gz VXQPTESUFMKICE-LLVKDONJSA-N 0 0 282.380 2.930 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)F)ncn1 ZINC000893111912 618835699 /nfs/dbraw/zinc/83/56/99/618835699.db2.gz KAYKAWCSOJJYPA-QMMMGPOBSA-N 0 0 295.289 2.869 20 10 CFCDRN C[C@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718624 618866888 /nfs/dbraw/zinc/86/68/88/618866888.db2.gz CYVVAXLAZDOVPD-WAFBPQNNSA-N 0 0 298.342 2.726 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 ZINC000182509909 618897664 /nfs/dbraw/zinc/89/76/64/618897664.db2.gz JKFYQTBVXONMSV-UHFFFAOYSA-N 0 0 283.327 2.517 20 10 CFCDRN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000197359636 618963011 /nfs/dbraw/zinc/96/30/11/618963011.db2.gz KRYUKQGITRWYEQ-HNNXBMFYSA-N 0 0 278.396 2.684 20 10 CFCDRN C=Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000199460058 618975999 /nfs/dbraw/zinc/97/59/99/618975999.db2.gz LYZDFEFVBHGZEB-UHFFFAOYSA-N 0 0 275.329 2.836 20 10 CFCDRN Cc1cccc(CN2CC(F)(F)C(F)(F)C2)c1O ZINC000313357594 618981755 /nfs/dbraw/zinc/98/17/55/618981755.db2.gz XSJZEZZGQPYFNU-UHFFFAOYSA-N 0 0 263.234 2.787 20 10 CFCDRN CCn1cc(CN(C)c2ccc(OC)c(F)c2)c(C)n1 ZINC000893461939 619006010 /nfs/dbraw/zinc/00/60/10/619006010.db2.gz AMCSVYSBCPKLKV-UHFFFAOYSA-N 0 0 277.343 2.996 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CSC)c1 ZINC000066928262 619058404 /nfs/dbraw/zinc/05/84/04/619058404.db2.gz WAWSLMLVRCUBLL-VHSXEESVSA-N 0 0 283.393 2.577 20 10 CFCDRN COCc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053914868 619077430 /nfs/dbraw/zinc/07/74/30/619077430.db2.gz RBGKTQKFTJFTGH-UHFFFAOYSA-N 0 0 285.343 2.811 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(O)c1C ZINC000053916596 619078567 /nfs/dbraw/zinc/07/85/67/619078567.db2.gz LZGLEYBAQFIXFF-UHFFFAOYSA-N 0 0 285.343 2.987 20 10 CFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OC(C)C ZINC000053920979 619079049 /nfs/dbraw/zinc/07/90/49/619079049.db2.gz OTNABQVGPQLDPQ-UHFFFAOYSA-N 0 0 258.277 2.816 20 10 CFCDRN Cc1cccc2c1CCN(C(=O)Cc1ccc(N)cc1)C2 ZINC000178532850 619120194 /nfs/dbraw/zinc/12/01/94/619120194.db2.gz NZXJWJQENHWVKT-UHFFFAOYSA-N 0 0 280.371 2.705 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CNOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925864926 619189681 /nfs/dbraw/zinc/18/96/81/619189681.db2.gz CSCCRCQJQHVBFZ-GZMMTYOYSA-N 0 0 291.178 2.643 20 10 CFCDRN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980310 619209659 /nfs/dbraw/zinc/20/96/59/619209659.db2.gz WVYKLYBWOXOCCT-ZYHUDNBSSA-N 0 0 269.772 2.638 20 10 CFCDRN CCOC(=O)CCCN1CCCc2cc(OC)ccc21 ZINC000726596362 619253156 /nfs/dbraw/zinc/25/31/56/619253156.db2.gz INHOENIGNZWKPZ-UHFFFAOYSA-N 0 0 277.364 2.791 20 10 CFCDRN CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000726871449 619266625 /nfs/dbraw/zinc/26/66/25/619266625.db2.gz AGIMRQZGONZYQU-INIZCTEOSA-N 0 0 298.342 2.987 20 10 CFCDRN Cc1ccncc1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000832430457 625331530 /nfs/dbraw/zinc/33/15/30/625331530.db2.gz DTZJGOYCOFAISC-CQSZACIVSA-N 0 0 297.402 2.876 20 10 CFCDRN COc1cc(C)cc(CNc2ccn(CC(F)F)n2)c1O ZINC000894329786 619336077 /nfs/dbraw/zinc/33/60/77/619336077.db2.gz KOHFWHSHIFXYMT-UHFFFAOYSA-N 0 0 297.305 2.783 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1c(C)ccnc1N ZINC000894429405 619382437 /nfs/dbraw/zinc/38/24/37/619382437.db2.gz SBQNEXDNMKDKPD-UHFFFAOYSA-N 0 0 283.375 2.934 20 10 CFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)cc1F ZINC000748325410 619394256 /nfs/dbraw/zinc/39/42/56/619394256.db2.gz PMVFEDKTRQJPKC-UHFFFAOYSA-N 0 0 288.322 2.839 20 10 CFCDRN CN(Cc1ncc[nH]1)Cc1c(O)cccc1Br ZINC000894586358 619424785 /nfs/dbraw/zinc/42/47/85/619424785.db2.gz CQIKBCGSEFGBII-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894747280 619454595 /nfs/dbraw/zinc/45/45/95/619454595.db2.gz FZNURYPDTFLKQG-FZMZJTMJSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1nnc([C@@H](C)NCc2cc(Cl)c(C)cc2O)[nH]1 ZINC000894777402 619463154 /nfs/dbraw/zinc/46/31/54/619463154.db2.gz JMZNCLPZVIDWLO-MRVPVSSYSA-N 0 0 280.759 2.631 20 10 CFCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894779246 619464011 /nfs/dbraw/zinc/46/40/11/619464011.db2.gz DZIHJFYSCIQNKE-HNNXBMFYSA-N 0 0 285.334 2.797 20 10 CFCDRN COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c(O)cc1C ZINC000159942102 619504348 /nfs/dbraw/zinc/50/43/48/619504348.db2.gz JMFVZBAYEQKRBN-GFCCVEGCSA-N 0 0 279.380 2.709 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000049023620 619504564 /nfs/dbraw/zinc/50/45/64/619504564.db2.gz BZIANDPMPZADPP-UHFFFAOYSA-N 0 0 288.416 2.981 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C)n1 ZINC000182591154 625354889 /nfs/dbraw/zinc/35/48/89/625354889.db2.gz RXINSOYHFNIBEC-UHFFFAOYSA-N 0 0 272.304 2.670 20 10 CFCDRN CCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000895485612 619542131 /nfs/dbraw/zinc/54/21/31/619542131.db2.gz ZKRHTNDJAWCFNP-UHFFFAOYSA-N 0 0 287.363 2.575 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841300034 619548935 /nfs/dbraw/zinc/54/89/35/619548935.db2.gz QQPPDZVRHXQPGX-WFASDCNBSA-N 0 0 291.395 2.842 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895623321 619570305 /nfs/dbraw/zinc/57/03/05/619570305.db2.gz NOINANKACWREIW-DKTWLAJQSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895723228 619591295 /nfs/dbraw/zinc/59/12/95/619591295.db2.gz RSNSGRPXQVEMJE-IONNQARKSA-N 0 0 277.345 2.698 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000895755304 619600067 /nfs/dbraw/zinc/60/00/67/619600067.db2.gz GZOGBXRLDVUUBC-CQSZACIVSA-N 0 0 289.375 2.842 20 10 CFCDRN Cc1nc(C)c(CC(=O)N(C)Cc2ccccc2O)s1 ZINC000895755760 619600364 /nfs/dbraw/zinc/60/03/64/619600364.db2.gz OTZMUOUMBPCLSU-UHFFFAOYSA-N 0 0 290.388 2.667 20 10 CFCDRN CC(C)(F)CCNC(=O)NCc1cccc(Cl)c1O ZINC000895775669 619603982 /nfs/dbraw/zinc/60/39/82/619603982.db2.gz RULJORSABYAWOA-UHFFFAOYSA-N 0 0 288.750 2.983 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CC3(CCC3)CO2)ccc(F)c1F ZINC000895788732 619607132 /nfs/dbraw/zinc/60/71/32/619607132.db2.gz FUXXFEQEVOIFRX-LLVKDONJSA-N 0 0 283.318 2.719 20 10 CFCDRN Cc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000895817200 619614193 /nfs/dbraw/zinc/61/41/93/619614193.db2.gz HAJZANDGEJGBPV-UKPHBRMFSA-N 0 0 291.391 2.517 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc(F)c1F ZINC000895841351 619617138 /nfs/dbraw/zinc/61/71/38/619617138.db2.gz BSNIVBMPHRVPDT-MFKMUULPSA-N 0 0 283.318 2.671 20 10 CFCDRN CCOC(=O)[C@@](C)(NCc1ccccc1O)c1ccccc1 ZINC000895894754 619629413 /nfs/dbraw/zinc/62/94/13/619629413.db2.gz QXPKLDXUAABSAK-SFHVURJKSA-N 0 0 299.370 2.960 20 10 CFCDRN CN(CC(F)F)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896155808 619681648 /nfs/dbraw/zinc/68/16/48/619681648.db2.gz AOEOKPMUAREOBV-UHFFFAOYSA-N 0 0 287.287 2.650 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2F)[C@@H]1C ZINC000896636669 619779907 /nfs/dbraw/zinc/77/99/07/619779907.db2.gz FABZYXUFIGJLMJ-SUNKGSAMSA-N 0 0 295.354 2.599 20 10 CFCDRN COc1cccc(C[C@H](C)[NH2+]Cc2c([O-])cccc2F)n1 ZINC000896636479 619779943 /nfs/dbraw/zinc/77/99/43/619779943.db2.gz DCLDSFGOHJXJNC-NSHDSACASA-N 0 0 290.338 2.656 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1c([O-])cccc1F)CC(C)C ZINC000896636325 619780062 /nfs/dbraw/zinc/78/00/62/619780062.db2.gz BGSLUSOLPVECLP-LLVKDONJSA-N 0 0 255.333 2.682 20 10 CFCDRN CC1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896826558 619831761 /nfs/dbraw/zinc/83/17/61/619831761.db2.gz ZOTOVKNSPNEBCD-UHFFFAOYSA-N 0 0 277.345 2.841 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896854394 619843669 /nfs/dbraw/zinc/84/36/69/619843669.db2.gz FJPFGEIDYSLRLE-NDMJEZRESA-N 0 0 297.757 2.865 20 10 CFCDRN CC1(C)CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000179091964 619981211 /nfs/dbraw/zinc/98/12/11/619981211.db2.gz NGVURUYSAQGAJJ-CYBMUJFWSA-N 0 0 291.391 2.973 20 10 CFCDRN C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(Cl)cc1[O-] ZINC000841747441 620189058 /nfs/dbraw/zinc/18/90/58/620189058.db2.gz QZJBFFCYDDCDJJ-SNVBAGLBSA-N 0 0 298.770 2.539 20 10 CFCDRN Clc1cnc(SC[C@@H]2CCc3ncnn32)s1 ZINC000865372865 620242423 /nfs/dbraw/zinc/24/24/23/620242423.db2.gz YKHPPPQVPVRNIL-LURJTMIESA-N 0 0 272.786 2.668 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897634871 620264829 /nfs/dbraw/zinc/26/48/29/620264829.db2.gz QZRWIZGUZASIKH-VHSXEESVSA-N 0 0 289.356 2.841 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000897684507 620271408 /nfs/dbraw/zinc/27/14/08/620271408.db2.gz QKKXVWHWZOEOAC-RDDDGLTNSA-N 0 0 276.163 2.512 20 10 CFCDRN CCOc1ccc(C[NH2+][C@@H](CCO)C2CCCC2)c(O)c1 ZINC000897884984 620297815 /nfs/dbraw/zinc/29/78/15/620297815.db2.gz BNRIAYWDHREYDF-INIZCTEOSA-N 0 0 293.407 2.822 20 10 CFCDRN O=C(N[C@H]1CC12CC2)c1cc2cc(O)c(O)cc2s1 ZINC000898009155 620316392 /nfs/dbraw/zinc/31/63/92/620316392.db2.gz HVYNFHYIMHPFGO-LBPRGKRZSA-N 0 0 275.329 2.595 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206479 620344825 /nfs/dbraw/zinc/34/48/25/620344825.db2.gz PIUDRSNBCGMIFB-LBPRGKRZSA-N 0 0 290.190 2.950 20 10 CFCDRN CC(C)n1ncnc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218704 620347178 /nfs/dbraw/zinc/34/71/78/620347178.db2.gz NDAYIBVYICKSSL-UHFFFAOYSA-N 0 0 280.759 2.508 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898254153 620357953 /nfs/dbraw/zinc/35/79/53/620357953.db2.gz ASWAJAXADRANAI-OUJBWJOFSA-N 0 0 278.327 2.519 20 10 CFCDRN Nc1ccc(NCc2ccc(N3CCCC3)nc2)cc1 ZINC000841040491 620382689 /nfs/dbraw/zinc/38/26/89/620382689.db2.gz RTWJNJSMTLMBEW-UHFFFAOYSA-N 0 0 268.364 2.876 20 10 CFCDRN CC[C@](C)(C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000322501824 620383746 /nfs/dbraw/zinc/38/37/46/620383746.db2.gz GHCREIDOBSZTCG-CYBMUJFWSA-N 0 0 257.761 2.950 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCC[C@H]1CCOC1 ZINC000787776802 620418806 /nfs/dbraw/zinc/41/88/06/620418806.db2.gz PGQJGTMNUNDRJT-AWEZNQCLSA-N 0 0 290.407 2.768 20 10 CFCDRN Cc1cc(O)c(CNC(C)(C)C(=O)OC(C)C)cc1C ZINC000898506319 620472353 /nfs/dbraw/zinc/47/23/53/620472353.db2.gz JCQIXWBTRWNGOA-UHFFFAOYSA-N 0 0 279.380 2.829 20 10 CFCDRN C[C@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccccc1O ZINC000899181929 620528339 /nfs/dbraw/zinc/52/83/39/620528339.db2.gz OROHWBNPBHFPFU-MNOVXSKESA-N 0 0 299.374 2.731 20 10 CFCDRN O=C([C@H]1CCOC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000899174799 620528749 /nfs/dbraw/zinc/52/87/49/620528749.db2.gz ZSZUSMYNTZKTFM-LBPRGKRZSA-N 0 0 287.359 2.584 20 10 CFCDRN COCC(COC)Sc1ncc(Cl)s1 ZINC000901582513 620869295 /nfs/dbraw/zinc/86/92/95/620869295.db2.gz MCDNELHVEICSPC-UHFFFAOYSA-N 0 0 253.776 2.550 20 10 CFCDRN COc1cc(O)ccc1NS(=O)(=O)CCC1CCCC1 ZINC000901703669 620889805 /nfs/dbraw/zinc/88/98/05/620889805.db2.gz YETHSQPESRGXRK-UHFFFAOYSA-N 0 0 299.392 2.723 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000902211985 620994098 /nfs/dbraw/zinc/99/40/98/620994098.db2.gz VSWLXDCKUNSVLZ-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@H]([NH2+]Cc1csc(N)n1)c1cc(F)cc(F)c1[O-] ZINC000902500851 621105920 /nfs/dbraw/zinc/10/59/20/621105920.db2.gz XYXBFRLJKZTGJU-LURJTMIESA-N 0 0 285.319 2.560 20 10 CFCDRN COC[C@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000902562521 621122312 /nfs/dbraw/zinc/12/23/12/621122312.db2.gz HTNUDAFIKDLBSG-HNNXBMFYSA-N 0 0 293.407 2.671 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1cn(C)nn1 ZINC000902780208 621172313 /nfs/dbraw/zinc/17/23/13/621172313.db2.gz DCUYWQXKABEMHO-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(F)cc(F)c1[O-] ZINC000903274247 621309880 /nfs/dbraw/zinc/30/98/80/621309880.db2.gz KIJJMNCQCPROIQ-VIFPVBQESA-N 0 0 299.296 2.687 20 10 CFCDRN COc1cccc([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c1O ZINC000903322238 621322592 /nfs/dbraw/zinc/32/25/92/621322592.db2.gz HGAIPLGJCJOTAY-IAQYHMDHSA-N 0 0 299.374 2.993 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000903352939 621344293 /nfs/dbraw/zinc/34/42/93/621344293.db2.gz XDIYVIHFKZGYAD-CYBMUJFWSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(F)cc1[O-] ZINC000903406997 621362522 /nfs/dbraw/zinc/36/25/22/621362522.db2.gz LPXKOIQAEGFFSX-KGLIPLIRSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(F)cc1[O-] ZINC000903406996 621362764 /nfs/dbraw/zinc/36/27/64/621362764.db2.gz LPXKOIQAEGFFSX-KBPBESRZSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903436849 621374114 /nfs/dbraw/zinc/37/41/14/621374114.db2.gz LDKCXYXSTYAHSJ-ILXRZTDVSA-N 0 0 279.355 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000903439450 621376174 /nfs/dbraw/zinc/37/61/74/621376174.db2.gz FIPYUZPCDNHHOP-IGGJQXEISA-N 0 0 287.334 2.840 20 10 CFCDRN CCC1([NH3+])CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000903946628 621484617 /nfs/dbraw/zinc/48/46/17/621484617.db2.gz XJSZZJHUWBZEDW-UHFFFAOYSA-N 0 0 286.778 2.888 20 10 CFCDRN C[C@@H]1CSCCCN1C(=O)Nc1ccc(N)cc1 ZINC000904500094 621602752 /nfs/dbraw/zinc/60/27/52/621602752.db2.gz JZAHAIDZIPERSW-SNVBAGLBSA-N 0 0 265.382 2.628 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](c2ccncc2)C2CC2)cc1 ZINC000904499215 621604712 /nfs/dbraw/zinc/60/47/12/621604712.db2.gz CVQRWESRLBCCIC-OAHLLOKOSA-N 0 0 282.347 2.937 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)NCc1cccc(Cl)c1O ZINC000908327293 622220007 /nfs/dbraw/zinc/22/00/07/622220007.db2.gz GTSMDRBEEMBPQA-VIFPVBQESA-N 0 0 291.800 2.654 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]CCC2(C)OCCO2)c(O)c1 ZINC000183889675 625555091 /nfs/dbraw/zinc/55/50/91/625555091.db2.gz BUAXSTFNHJDWOZ-LBPRGKRZSA-N 0 0 265.353 2.504 20 10 CFCDRN CCc1csc([C@H](C)NC(=O)c2cccc(O)c2O)n1 ZINC000910733393 622471539 /nfs/dbraw/zinc/47/15/39/622471539.db2.gz CJQXCCDNUNTTKO-QMMMGPOBSA-N 0 0 292.360 2.608 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1CCC(F)(F)CC1 ZINC000910948800 622488776 /nfs/dbraw/zinc/48/87/76/622488776.db2.gz AMTBWLVTBHCBQK-UHFFFAOYSA-N 0 0 285.290 2.540 20 10 CFCDRN CC(C)(C(=O)NCc1ccc(O)cc1O)C1CCCC1 ZINC000910949350 622488940 /nfs/dbraw/zinc/48/89/40/622488940.db2.gz JVGGCVHKTNIAPA-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN CCCCCCC(=O)NCc1ccc(O)cc1O ZINC000910952790 622489359 /nfs/dbraw/zinc/48/93/59/622489359.db2.gz ZHNYNOAOKUXBKH-UHFFFAOYSA-N 0 0 251.326 2.684 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944157 622491341 /nfs/dbraw/zinc/49/13/41/622491341.db2.gz LRZGZRQSCQTSOK-MFKMUULPSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(O)cc1O ZINC000910943707 622491482 /nfs/dbraw/zinc/49/14/82/622491482.db2.gz FVTZYWBGSNVXPL-UHFFFAOYSA-N 0 0 298.342 2.609 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000910945824 622491860 /nfs/dbraw/zinc/49/18/60/622491860.db2.gz ZQBVFSDMRGKDAP-LSDHHAIUSA-N 0 0 289.375 2.930 20 10 CFCDRN CCCC(C)(C)CC(=O)NCc1ccc(O)cc1O ZINC000910947005 622492387 /nfs/dbraw/zinc/49/23/87/622492387.db2.gz YTPSYDLNZKCWRF-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910947764 622492408 /nfs/dbraw/zinc/49/24/08/622492408.db2.gz MHURLRHMBLSREW-CSKARUKUSA-N 0 0 263.337 2.706 20 10 CFCDRN CCn1nc(C2CC2)cc1C(=O)Nc1ccc(N)cc1 ZINC000911660905 622531725 /nfs/dbraw/zinc/53/17/25/622531725.db2.gz OJIVKXBQMOUTDJ-UHFFFAOYSA-N 0 0 270.336 2.615 20 10 CFCDRN CCn1nc(C(=O)Nc2ccc(N)cc2)cc1C1CC1 ZINC000911661504 622532035 /nfs/dbraw/zinc/53/20/35/622532035.db2.gz VVLUDHBWLFRZIB-UHFFFAOYSA-N 0 0 270.336 2.615 20 10 CFCDRN CN(C[Si](C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000911722327 622540131 /nfs/dbraw/zinc/54/01/31/622540131.db2.gz BTWCZHLITNXRLB-UHFFFAOYSA-N 0 0 292.415 2.798 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000911783264 622551286 /nfs/dbraw/zinc/55/12/86/622551286.db2.gz SPMOPRRCKIRNGJ-QDMKHBRRSA-N 0 0 272.392 2.754 20 10 CFCDRN CC[C@](O)(CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000840397872 622557430 /nfs/dbraw/zinc/55/74/30/622557430.db2.gz CGXJTNIOFMMQKN-SFHVURJKSA-N 0 0 299.370 2.696 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3ccnc(C)n3)C2)cc1 ZINC000819936046 622576847 /nfs/dbraw/zinc/57/68/47/622576847.db2.gz QOSQZDMPSGCARQ-AWEZNQCLSA-N 0 0 298.390 2.732 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c1cccc2F ZINC000184291870 625587834 /nfs/dbraw/zinc/58/78/34/625587834.db2.gz BIMQEYCBXQLVPZ-FNORWQNLSA-N 0 0 299.301 2.839 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)NCc2ccccc2)cc1 ZINC000150729221 622717511 /nfs/dbraw/zinc/71/75/11/622717511.db2.gz OWFXWOKRUJFTMW-UHFFFAOYSA-N 0 0 298.386 2.838 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1coc(C(C)(C)C)n1 ZINC000820879031 622780741 /nfs/dbraw/zinc/78/07/41/622780741.db2.gz NRTCUVCDVMTOMZ-UHFFFAOYSA-N 0 0 288.347 2.950 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C(F)(F)F ZINC000913017397 622824723 /nfs/dbraw/zinc/82/47/23/622824723.db2.gz AQBODLNDEVRHAK-QMMMGPOBSA-N 0 0 265.256 2.621 20 10 CFCDRN Cc1cc(CNC(=O)CC2COC2)c(C)n1-c1ccccc1 ZINC000913166937 622843536 /nfs/dbraw/zinc/84/35/36/622843536.db2.gz KIDOSFUZDQDAPI-UHFFFAOYSA-N 0 0 298.386 2.747 20 10 CFCDRN CN(Cc1ccc2nonc2c1)c1ccc2c(c1)OCO2 ZINC000821396722 622913834 /nfs/dbraw/zinc/91/38/34/622913834.db2.gz UKMBLAQPRQJCSD-UHFFFAOYSA-N 0 0 283.287 2.588 20 10 CFCDRN Cc1cccc(CNC(=S)Nc2ccccc2)n1 ZINC000054969184 622927457 /nfs/dbraw/zinc/92/74/57/622927457.db2.gz XNLCTPQVWMXPHJ-UHFFFAOYSA-N 0 0 257.362 2.877 20 10 CFCDRN CC(C)(C)c1cnc(SCC(=O)NC2CC2)s1 ZINC000164099322 622937804 /nfs/dbraw/zinc/93/78/04/622937804.db2.gz NZKAGMXCVRSNBP-UHFFFAOYSA-N 0 0 270.423 2.811 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc(C)cc(C)c1O ZINC000156868776 622972524 /nfs/dbraw/zinc/97/25/24/622972524.db2.gz CXESMNASVTVLTF-UHFFFAOYSA-N 0 0 279.380 2.784 20 10 CFCDRN Cc1nn(C)c2ncc(NCc3cccc(C)c3O)cc12 ZINC000164990044 622977756 /nfs/dbraw/zinc/97/77/56/622977756.db2.gz GKUCSTFLIOEGLW-UHFFFAOYSA-N 0 0 282.347 2.903 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822278435 623069626 /nfs/dbraw/zinc/06/96/26/623069626.db2.gz WPDZISFYOGDCLN-CABZTGNLSA-N 0 0 274.324 2.767 20 10 CFCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227374853 623108370 /nfs/dbraw/zinc/10/83/70/623108370.db2.gz SSUYHMMHQAOCSS-GFCCVEGCSA-N 0 0 271.788 2.932 20 10 CFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495795 623116355 /nfs/dbraw/zinc/11/63/55/623116355.db2.gz PLJWYVJRWYSTKO-INIZCTEOSA-N 0 0 290.407 2.718 20 10 CFCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000822572455 623128715 /nfs/dbraw/zinc/12/87/15/623128715.db2.gz MDEABJTXSPAVDI-CYBMUJFWSA-N 0 0 262.353 2.722 20 10 CFCDRN CCCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000169582026 623128884 /nfs/dbraw/zinc/12/88/84/623128884.db2.gz ULPIXLKKVGJPCT-VURMDHGXSA-N 0 0 250.294 2.844 20 10 CFCDRN CCN(CC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000060847792 623161199 /nfs/dbraw/zinc/16/11/99/623161199.db2.gz CGPVVKNHCLBDHT-UHFFFAOYSA-N 0 0 271.364 2.971 20 10 CFCDRN COCCN(Cc1cc2c(cc1O)CCC2)CC(F)F ZINC000170639146 623169756 /nfs/dbraw/zinc/16/97/56/623169756.db2.gz NVDCDIHKFHEQMN-UHFFFAOYSA-N 0 0 285.334 2.594 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1F ZINC000822862699 623191740 /nfs/dbraw/zinc/19/17/40/623191740.db2.gz KPTFCZRSNXFBMA-MELADBBJSA-N 0 0 290.382 2.944 20 10 CFCDRN CSCC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000834349328 625628842 /nfs/dbraw/zinc/62/88/42/625628842.db2.gz TYTQBUQWXJTPMV-UHFFFAOYSA-N 0 0 271.407 2.669 20 10 CFCDRN CCC(CC)(CNC(=O)c1cccc(O)c1O)SC ZINC000229412914 623202640 /nfs/dbraw/zinc/20/26/40/623202640.db2.gz ABOAYWFHVLKRHW-UHFFFAOYSA-N 0 0 283.393 2.749 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822971985 623212333 /nfs/dbraw/zinc/21/23/33/623212333.db2.gz LHGUAGXYUCGUDP-ZSBIGDGJSA-N 0 0 275.348 2.540 20 10 CFCDRN Cc1ccc(C=C2SC(=S)NC2=O)cc1F ZINC000171764707 623242240 /nfs/dbraw/zinc/24/22/40/623242240.db2.gz JVVRNSXIANJHJP-WEVVVXLNSA-N 0 0 253.323 2.623 20 10 CFCDRN C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000062748377 623296029 /nfs/dbraw/zinc/29/60/29/623296029.db2.gz NOMIQBGXRABLKA-LBPRGKRZSA-N 0 0 277.343 2.859 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000823482892 623332330 /nfs/dbraw/zinc/33/23/30/623332330.db2.gz ZYODUNPSJFUBSJ-FZMZJTMJSA-N 0 0 273.380 2.665 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC2CCOCC2)cc1 ZINC000173112289 623334182 /nfs/dbraw/zinc/33/41/82/623334182.db2.gz LJCPXOWEHJUPOJ-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCOC(=O)CN(C/C=C/Cl)Cc1ccccc1O ZINC000823581229 623351931 /nfs/dbraw/zinc/35/19/31/623351931.db2.gz GMALWCWMVFYLFN-VMPITWQZSA-N 0 0 283.755 2.510 20 10 CFCDRN CCOC(=O)CN(CCCCF)Cc1ccccc1O ZINC000823576330 623351987 /nfs/dbraw/zinc/35/19/87/623351987.db2.gz MWQGMFNLFUCSKS-UHFFFAOYSA-N 0 0 283.343 2.507 20 10 CFCDRN CCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840480780 623353182 /nfs/dbraw/zinc/35/31/82/623353182.db2.gz YIJFBROEEHLSLU-CYBMUJFWSA-N 0 0 277.412 2.653 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccc3cc[nH]c32)c1 ZINC000173578889 623358591 /nfs/dbraw/zinc/35/85/91/623358591.db2.gz WRWIPIZBRHKXRI-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)Nc1ccc(F)cc1 ZINC000174373222 623412227 /nfs/dbraw/zinc/41/22/27/623412227.db2.gz NLXAALAOPYLWAB-UHFFFAOYSA-N 0 0 276.267 2.559 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527361 623517326 /nfs/dbraw/zinc/51/73/26/623517326.db2.gz USGPOUHHIGQKPO-LLVKDONJSA-N 0 0 281.718 2.616 20 10 CFCDRN CCOC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000312517993 623526958 /nfs/dbraw/zinc/52/69/58/623526958.db2.gz GOGJYHNCEOSBRF-UHFFFAOYSA-N 0 0 277.368 2.740 20 10 CFCDRN CC(C)c1nnc(CNCc2c(O)cccc2Cl)[nH]1 ZINC000824603360 623531378 /nfs/dbraw/zinc/53/13/78/623531378.db2.gz QGJTYFRZVYTRJM-UHFFFAOYSA-N 0 0 280.759 2.577 20 10 CFCDRN C[C@@H](CCCO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824609235 623532113 /nfs/dbraw/zinc/53/21/13/623532113.db2.gz XCMWGLDAXJYHJJ-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)C(F)F ZINC000824644981 623538537 /nfs/dbraw/zinc/53/85/37/623538537.db2.gz VROSRSIQGRTBII-KCJUWKMLSA-N 0 0 297.704 2.679 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000029932105 623540469 /nfs/dbraw/zinc/54/04/69/623540469.db2.gz HXJGKPBWFPCVMK-LLVKDONJSA-N 0 0 287.190 2.563 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000824725227 623552858 /nfs/dbraw/zinc/55/28/58/623552858.db2.gz TUVSYWWXLUVWDH-GJZGRUSLSA-N 0 0 288.391 2.970 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]1C ZINC000840490280 623564587 /nfs/dbraw/zinc/56/45/87/623564587.db2.gz YWZWPTLQRKPCFI-UONOGXRCSA-N 0 0 289.423 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846270 623576073 /nfs/dbraw/zinc/57/60/73/623576073.db2.gz QPTDLISAPLBRKL-UKRRQHHQSA-N 0 0 295.810 2.932 20 10 CFCDRN CCn1nc(C2CC2)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC000913763851 623581531 /nfs/dbraw/zinc/58/15/31/623581531.db2.gz SZWZGLWWYMACFP-NSHDSACASA-N 0 0 299.374 2.977 20 10 CFCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000824878629 623583485 /nfs/dbraw/zinc/58/34/85/623583485.db2.gz SSHADOFNPACIKV-UHFFFAOYSA-N 0 0 264.325 2.969 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2(OC(C)C)CCC2)c1 ZINC000824903848 623584913 /nfs/dbraw/zinc/58/49/13/623584913.db2.gz DZUYHLXSWNDCBW-UHFFFAOYSA-N 0 0 277.364 2.665 20 10 CFCDRN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825045735 623615902 /nfs/dbraw/zinc/61/59/02/623615902.db2.gz KENAVXZCGXHJJI-VIFPVBQESA-N 0 0 297.761 2.639 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000825061537 623620325 /nfs/dbraw/zinc/62/03/25/623620325.db2.gz HXXKLSSQDXUNQO-TVQRCGJNSA-N 0 0 287.762 2.825 20 10 CFCDRN CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825090628 623626826 /nfs/dbraw/zinc/62/68/26/623626826.db2.gz CPMYKLJLSWTDAX-NSHDSACASA-N 0 0 273.735 2.699 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2F)cc1 ZINC000825243967 623657938 /nfs/dbraw/zinc/65/79/38/623657938.db2.gz CSXXACNGRCQBKQ-NWDGAFQWSA-N 0 0 292.314 2.860 20 10 CFCDRN Cc1cc(O)c(CNCc2ccon2)cc1Cl ZINC000825325488 623672482 /nfs/dbraw/zinc/67/24/82/623672482.db2.gz GQWPZFSQSGRWHX-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn(C2CCC2)nn1 ZINC000825462022 623698552 /nfs/dbraw/zinc/69/85/52/623698552.db2.gz XCHZGLYRNZUXCS-UHFFFAOYSA-N 0 0 298.390 2.965 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CCCSc3ccccc32)c1 ZINC000929795766 623712318 /nfs/dbraw/zinc/71/23/18/623712318.db2.gz LOLPORSCUDKWAM-FPLPWBNLSA-N 0 0 299.399 2.962 20 10 CFCDRN C[C@@]1(CC(=O)NCc2ccccc2O)CC1(Cl)Cl ZINC000825658607 623732124 /nfs/dbraw/zinc/73/21/24/623732124.db2.gz LFGGKPDIODAWBR-GFCCVEGCSA-N 0 0 288.174 2.982 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000914201046 623733427 /nfs/dbraw/zinc/73/34/27/623733427.db2.gz VNIDJDDAROZLID-WDEREUQCSA-N 0 0 280.343 2.909 20 10 CFCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)F ZINC000914372862 623778212 /nfs/dbraw/zinc/77/82/12/623778212.db2.gz LIAWCCHXMHJISL-XQRVVYSFSA-N 0 0 299.317 2.909 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccoc2)cc1 ZINC000185050645 625677679 /nfs/dbraw/zinc/67/76/79/625677679.db2.gz RCRAMYBFDPLEHV-UHFFFAOYSA-N 0 0 286.375 2.985 20 10 CFCDRN COc1ccccc1NC[C@H](O)COc1ccccc1F ZINC000032148896 623919833 /nfs/dbraw/zinc/91/98/33/623919833.db2.gz MHXOJIGUUDVIFI-LBPRGKRZSA-N 0 0 291.322 2.686 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827007057 623923008 /nfs/dbraw/zinc/92/30/08/623923008.db2.gz YWRIPZCSBXQFBR-MGCOHNPYSA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000827073571 623935903 /nfs/dbraw/zinc/93/59/03/623935903.db2.gz YBDUPCVEVLWBIH-JTQLQIEISA-N 0 0 295.688 2.699 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151627 623954978 /nfs/dbraw/zinc/95/49/78/623954978.db2.gz GWUBDIBAADZGEM-OAHLLOKOSA-N 0 0 299.773 2.922 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279993 623980344 /nfs/dbraw/zinc/98/03/44/623980344.db2.gz COJSOLATAGPMKK-IUODEOHRSA-N 0 0 281.783 2.822 20 10 CFCDRN C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CC=CCC1 ZINC000827294696 623983264 /nfs/dbraw/zinc/98/32/64/623983264.db2.gz MFKXZZDJUZZIMQ-MRXNPFEDSA-N 0 0 275.348 2.503 20 10 CFCDRN COc1cccc(CNC(=O)[C@@]2(C)CCC[C@H]2C)c1O ZINC000827303606 623984141 /nfs/dbraw/zinc/98/41/41/623984141.db2.gz LKRWSQAQAHNNKS-BZNIZROVSA-N 0 0 277.364 2.843 20 10 CFCDRN CC/C(C)=C\C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000827304302 623985267 /nfs/dbraw/zinc/98/52/67/623985267.db2.gz XUDKQUIAJMYMEG-IEHMKBBKSA-N 0 0 263.337 2.934 20 10 CFCDRN CC(C)CNC(=S)NCc1ccc(N2CCCC2)cc1 ZINC000915125527 623986157 /nfs/dbraw/zinc/98/61/57/623986157.db2.gz AMKJMFQVDGILBQ-UHFFFAOYSA-N 0 0 291.464 2.907 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000827366649 623993855 /nfs/dbraw/zinc/99/38/55/623993855.db2.gz YLZXKXGEZDQJKW-CHWSQXEVSA-N 0 0 285.746 2.578 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CNc1nc2n(n1)CCCC2 ZINC000834482922 625693279 /nfs/dbraw/zinc/69/32/79/625693279.db2.gz WCGTUCFPDYOLEV-UHFFFAOYSA-N 0 0 296.733 2.725 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)CO ZINC000827699127 624069562 /nfs/dbraw/zinc/06/95/62/624069562.db2.gz FKTMIXODYSZWJK-XPTSAGLGSA-N 0 0 287.762 2.635 20 10 CFCDRN COc1ccc(O)c([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000153688733 624092767 /nfs/dbraw/zinc/09/27/67/624092767.db2.gz RRFAHYQHLRSGSC-INIZCTEOSA-N 0 0 298.342 2.906 20 10 CFCDRN CCCCO[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930102 624130012 /nfs/dbraw/zinc/13/00/12/624130012.db2.gz BCJXPRWKJYNIQS-VXGBXAGGSA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccccc1O ZINC000827930889 624130148 /nfs/dbraw/zinc/13/01/48/624130148.db2.gz SZZKXELJFHUOSP-SNVBAGLBSA-N 0 0 287.363 2.904 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1O ZINC000827936862 624131633 /nfs/dbraw/zinc/13/16/33/624131633.db2.gz DQDRQXKEIXPXFS-JGVFFNPUSA-N 0 0 261.243 2.768 20 10 CFCDRN C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1O ZINC000827936885 624131787 /nfs/dbraw/zinc/13/17/87/624131787.db2.gz FFJCAZKQHWZSES-OLZOCXBDSA-N 0 0 277.364 2.919 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccccc1O ZINC000827940525 624132640 /nfs/dbraw/zinc/13/26/40/624132640.db2.gz FEXCTNLSUTVTDB-SJKOYZFVSA-N 0 0 297.354 2.883 20 10 CFCDRN CSC[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827937390 624132713 /nfs/dbraw/zinc/13/27/13/624132713.db2.gz VDGWRWBFNPLXAK-VHSXEESVSA-N 0 0 253.367 2.569 20 10 CFCDRN CC(C)OCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827940511 624132800 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298.390 2.908 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCc1cccc(OC)c1O ZINC000830540435 624775647 /nfs/dbraw/zinc/77/56/47/624775647.db2.gz JTRBHAMCKNKCFH-HNNXBMFYSA-N 0 0 283.343 2.935 20 10 CFCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1ccc(F)cc1 ZINC000921414425 624875340 /nfs/dbraw/zinc/87/53/40/624875340.db2.gz MEGDBFZTKNSJPJ-UHFFFAOYSA-N 0 0 291.322 2.772 20 10 CFCDRN Nc1ccc(CCNC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000237930393 624989926 /nfs/dbraw/zinc/98/99/26/624989926.db2.gz OKTZJKAXGZPRHP-UHFFFAOYSA-N 0 0 298.361 2.798 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1cccc(O)c1 ZINC000180162464 625001189 /nfs/dbraw/zinc/00/11/89/625001189.db2.gz RGUGJHIPSPTGCH-MDZDMXLPSA-N 0 0 283.327 2.770 20 10 CFCDRN COc1cccc(CNC(=O)c2ccccc2Cl)c1O ZINC000068488767 625002396 /nfs/dbraw/zinc/00/23/96/625002396.db2.gz LGDKHCGBOCUHCV-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN CC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000180586873 625029116 /nfs/dbraw/zinc/02/91/16/625029116.db2.gz SOIFHTDFCDOYHA-SOFGYWHQSA-N 0 0 297.310 2.952 20 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CCN(C(=O)c1cccc(O)c1O)c1nc(C)cs1 ZINC000185744090 625771535 /nfs/dbraw/zinc/77/15/35/625771535.db2.gz ORMVADMJRGTUPJ-UHFFFAOYSA-N 0 0 278.333 2.529 20 10 CFCDRN CCS[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185798073 625779464 /nfs/dbraw/zinc/77/94/64/625779464.db2.gz WLPHHOVLWGRJEG-QWRGUYRKSA-N 0 0 295.404 2.892 20 10 CFCDRN CC(C)OC[C@H](O)CNc1ccccc1OCC(F)F ZINC000186076398 625830388 /nfs/dbraw/zinc/83/03/88/625830388.db2.gz QTTKXZUVDSNGAD-LLVKDONJSA-N 0 0 289.322 2.528 20 10 CFCDRN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000840762886 625900111 /nfs/dbraw/zinc/90/01/11/625900111.db2.gz FODMLWSCRLNLOU-GMXVVIOVSA-N 0 0 294.351 2.907 20 10 CFCDRN CC(C)OC(=O)[C@@H](N[C@@H]1CCc2cccc(O)c21)C(C)C ZINC000834886286 625909616 /nfs/dbraw/zinc/90/96/16/625909616.db2.gz RIMMMOKXNWNQJP-CJNGLKHVSA-N 0 0 291.391 2.945 20 10 CFCDRN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(F)cc1[O-] ZINC000834887200 625909830 /nfs/dbraw/zinc/90/98/30/625909830.db2.gz YWWPYXVEKITZCM-LLVKDONJSA-N 0 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256.143 2.749 20 10 CFCDRN CC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773082767 626099975 /nfs/dbraw/zinc/09/99/75/626099975.db2.gz AJFXHHKAYUFBKF-QWHCGFSZSA-N 0 0 298.452 2.779 20 10 CFCDRN CCN(C)c1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851707478 634481638 /nfs/dbraw/zinc/48/16/38/634481638.db2.gz DJNCZZLLEUOAJI-ZDUSSCGKSA-N 0 0 290.407 2.970 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2cnon2)cc1 ZINC000851716076 634485246 /nfs/dbraw/zinc/48/52/46/634485246.db2.gz HWKHFDJHRCJYJF-UHFFFAOYSA-N 0 0 274.368 2.548 20 10 CFCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922508862 626299935 /nfs/dbraw/zinc/29/99/35/626299935.db2.gz CIXFAXPNTSDREE-DRYIUFOISA-N 0 0 253.292 2.805 20 10 CFCDRN CN(C)c1ccc(CN[C@H](c2ncccn2)C2CC2)cc1 ZINC000922582439 626317131 /nfs/dbraw/zinc/31/71/31/626317131.db2.gz MZUYXHJQNNRDML-INIZCTEOSA-N 0 0 282.391 2.784 20 10 CFCDRN O=C(NCCSc1ccccc1)c1cccc(O)c1O ZINC000186791812 626399361 /nfs/dbraw/zinc/39/93/61/626399361.db2.gz OWEFUURZCCXZKH-UHFFFAOYSA-N 0 0 289.356 2.620 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C1CC1 ZINC000840740601 626415712 /nfs/dbraw/zinc/41/57/12/626415712.db2.gz UYDDFVJJXWJSJU-CQSZACIVSA-N 0 0 274.389 2.950 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCCC[C@H]1F ZINC000922897534 626422472 /nfs/dbraw/zinc/42/24/72/626422472.db2.gz UMRHHZNUZGMYRT-VXGBXAGGSA-N 0 0 284.306 2.611 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc[nH]2)c(C)n1-c1ccccn1 ZINC000074121452 626440527 /nfs/dbraw/zinc/44/05/27/626440527.db2.gz SHXKXPLXYXHZJY-UHFFFAOYSA-N 0 0 294.358 2.747 20 10 CFCDRN C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000187128462 626459888 /nfs/dbraw/zinc/45/98/88/626459888.db2.gz NERXSJSLHIPYPS-MNOVXSKESA-N 0 0 263.337 2.749 20 10 CFCDRN C[C@]1(CNC(=O)NCc2c(O)cccc2F)C[C@H]2C[C@H]2C1 ZINC000923458313 626473806 /nfs/dbraw/zinc/47/38/06/626473806.db2.gz OAIMIJYQFAFEJV-CDMJZVDBSA-N 0 0 292.354 2.767 20 10 CFCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000838060273 626485208 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/nfs/dbraw/zinc/52/80/67/626528067.db2.gz GVSXFSRYXSWBPJ-UHFFFAOYSA-N 0 0 279.380 2.792 20 10 CFCDRN CCCCCOC1CN(Cc2c(O)cccc2OC)C1 ZINC000839134696 626528183 /nfs/dbraw/zinc/52/81/83/626528183.db2.gz TZNADYGIZJEXMV-UHFFFAOYSA-N 0 0 279.380 2.792 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC2(C1)CCOCC2 ZINC000839141224 626528574 /nfs/dbraw/zinc/52/85/74/626528574.db2.gz MOKCEVHIDZULLC-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)nn1 ZINC000839475076 626537704 /nfs/dbraw/zinc/53/77/04/626537704.db2.gz YCTIAQFNYJVOFV-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886550335 626539662 /nfs/dbraw/zinc/53/96/62/626539662.db2.gz XOYIVWZUXALGIL-WDEREUQCSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000806140811 626541968 /nfs/dbraw/zinc/54/19/68/626541968.db2.gz BXBFSPUCOATLTA-QWHCGFSZSA-N 0 0 296.798 2.707 20 10 CFCDRN Cc1nc(C)c(NC(=O)C2=CC(=O)CS2)s1 ZINC000757390199 626550420 /nfs/dbraw/zinc/55/04/20/626550420.db2.gz CEAKKAJJOPMWTP-UHFFFAOYSA-N 0 0 254.336 2.779 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000839783440 626555297 /nfs/dbraw/zinc/55/52/97/626555297.db2.gz ZEDNRBLUVNDHRV-AAEUAGOBSA-N 0 0 263.362 2.714 20 10 CFCDRN CC(C)OCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000757687554 626558327 /nfs/dbraw/zinc/55/83/27/626558327.db2.gz QZZRTFGJNSSURI-VIFPVBQESA-N 0 0 259.296 2.746 20 10 CFCDRN CCN(Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000757939959 626569190 /nfs/dbraw/zinc/56/91/90/626569190.db2.gz ZRUBHNIAAKAWNB-UHFFFAOYSA-N 0 0 260.303 2.979 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnco1 ZINC000758159817 626579365 /nfs/dbraw/zinc/57/93/65/626579365.db2.gz RXJOKMPCOQSWFL-UHFFFAOYSA-N 0 0 299.374 2.937 20 10 CFCDRN CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758169638 626579848 /nfs/dbraw/zinc/57/98/48/626579848.db2.gz VYKAHLYYVFTTNN-UHFFFAOYSA-N 0 0 295.335 2.895 20 10 CFCDRN CCNc1nc(C)c(C(=O)NCc2ccccc2O)s1 ZINC000759238042 626638533 /nfs/dbraw/zinc/63/85/33/626638533.db2.gz SXWRVUOSMUTAKO-UHFFFAOYSA-N 0 0 291.376 2.519 20 10 CFCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC000759587765 626673750 /nfs/dbraw/zinc/67/37/50/626673750.db2.gz FEBXBTLTNOMLIB-XOIDGJRKSA-N 0 0 285.299 2.810 20 10 CFCDRN COC1CCC(CC(=O)NCc2ccccc2O)CC1 ZINC000759608605 626675162 /nfs/dbraw/zinc/67/51/62/626675162.db2.gz OIIUJVOFGBHADY-UHFFFAOYSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1cc(C(=O)NCc2ccccc2O)ccc1Cl ZINC000759608617 626675512 /nfs/dbraw/zinc/67/55/12/626675512.db2.gz OZHFEHFGEFCSJH-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@@H]1CC12CCC2 ZINC000759790079 626691300 /nfs/dbraw/zinc/69/13/00/626691300.db2.gz LVZRGQYMXHHMCP-JTQLQIEISA-N 0 0 282.434 2.932 20 10 CFCDRN COc1cccc2c1CC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000760150503 626716725 /nfs/dbraw/zinc/71/67/25/626716725.db2.gz RZZHOAUGFMURAX-GFCCVEGCSA-N 0 0 289.356 2.880 20 10 CFCDRN CC(F)(F)CC(=O)NCCCSc1nccs1 ZINC000760333886 626735750 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/nfs/dbraw/zinc/05/71/77/628057177.db2.gz APRJNNKILRBEIW-LLVKDONJSA-N 0 0 269.772 2.965 20 10 CFCDRN CCCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775832365 628073723 /nfs/dbraw/zinc/07/37/23/628073723.db2.gz ZRXHWUGQHQRGMI-GFCCVEGCSA-N 0 0 288.395 2.939 20 10 CFCDRN CCOC(=O)[C@H](CC)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833618 628074139 /nfs/dbraw/zinc/07/41/39/628074139.db2.gz FLUJNEQZZRIUMX-DOMZBBRYSA-N 0 0 278.396 2.745 20 10 CFCDRN C[C@H](NCc1nc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000775838394 628074840 /nfs/dbraw/zinc/07/48/40/628074840.db2.gz YCKSIYSBBCNTSP-NSHDSACASA-N 0 0 286.379 2.864 20 10 CFCDRN CO[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776153896 628107418 /nfs/dbraw/zinc/10/74/18/628107418.db2.gz IOXSBACHSILIPW-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000776174137 628111561 /nfs/dbraw/zinc/11/15/61/628111561.db2.gz JBZMCLBTCGHLAN-SECBINFHSA-N 0 0 283.677 2.713 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000776219956 628118655 /nfs/dbraw/zinc/11/86/55/628118655.db2.gz SHFUETXUCAENER-DTWKUNHWSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@@H](CO)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776254540 628122815 /nfs/dbraw/zinc/12/28/15/628122815.db2.gz YXBRRPLOKNAALN-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN COc1cccnc1NCc1ccc(N(C)C)cc1 ZINC000776253131 628122923 /nfs/dbraw/zinc/12/29/23/628122923.db2.gz ITEYSNZYLAWGJZ-UHFFFAOYSA-N 0 0 257.337 2.768 20 10 CFCDRN Cc1cccc(OCCOC(=O)c2cccc(O)c2O)c1 ZINC000776282548 628126028 /nfs/dbraw/zinc/12/60/28/628126028.db2.gz SXNBLRDDCFJXTM-UHFFFAOYSA-N 0 0 288.299 2.642 20 10 CFCDRN Cc1cccc(CNc2ccc3c(c2)C(=O)NCC3)c1O ZINC000777497946 628230785 /nfs/dbraw/zinc/23/07/85/628230785.db2.gz YUVXROQVDWXCTD-UHFFFAOYSA-N 0 0 282.343 2.599 20 10 CFCDRN CCOC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000777637703 628242728 /nfs/dbraw/zinc/24/27/28/628242728.db2.gz NFDDCBMGZYRIQZ-STQMWFEESA-N 0 0 293.411 2.538 20 10 CFCDRN Cc1cccc2c1C(=O)N[C@H](c1cccc(F)c1O)N2 ZINC000778520293 628312004 /nfs/dbraw/zinc/31/20/04/628312004.db2.gz SDRQLOFYSGDIKF-CQSZACIVSA-N 0 0 272.279 2.694 20 10 CFCDRN O=C1N[C@H](c2cccc(F)c2O)Nc2cc(F)ccc21 ZINC000778520137 628312276 /nfs/dbraw/zinc/31/22/76/628312276.db2.gz OUDRTMZJJWALCQ-CYBMUJFWSA-N 0 0 276.242 2.525 20 10 CFCDRN Cn1ccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000778598877 628318745 /nfs/dbraw/zinc/31/87/45/628318745.db2.gz WFRQJCSZBZSXQG-UHFFFAOYSA-N 0 0 257.337 2.599 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779079858 628350064 /nfs/dbraw/zinc/35/00/64/628350064.db2.gz PTNOKBLRQMXPJW-CMPLNLGQSA-N 0 0 294.351 2.909 20 10 CFCDRN CC(C)(C)c1nnc(CNCc2cc(F)ccc2O)s1 ZINC000779090362 628351694 /nfs/dbraw/zinc/35/16/94/628351694.db2.gz GWMPLMVPRFZHCI-UHFFFAOYSA-N 0 0 295.383 2.970 20 10 CFCDRN COc1ccccc1N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779499237 628385257 /nfs/dbraw/zinc/38/52/57/628385257.db2.gz LILVWZCFPAQPRK-NTMALXAHSA-N 0 0 299.326 2.783 20 10 CFCDRN CC(C)n1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC000779483647 628385369 /nfs/dbraw/zinc/38/53/69/628385369.db2.gz LVTPYOWZPOOCIP-XQRVVYSFSA-N 0 0 287.319 2.527 20 10 CFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[nH]cnc2c1 ZINC000779503384 628386027 /nfs/dbraw/zinc/38/60/27/628386027.db2.gz NIEJQLLBRPFPFJ-QHHAFSJGSA-N 0 0 295.298 2.626 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccccc2)CC1 ZINC000779508784 628386066 /nfs/dbraw/zinc/38/60/66/628386066.db2.gz DOLCRHVXOBZMOR-VQHVLOKHSA-N 0 0 295.338 2.917 20 10 CFCDRN CS[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779523723 628386575 /nfs/dbraw/zinc/38/65/75/628386575.db2.gz FCDWXYQTRCQYJF-BKZLJMBUSA-N 0 0 293.388 2.511 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn(C)nc1C ZINC000780767720 628495622 /nfs/dbraw/zinc/49/56/22/628495622.db2.gz VGGLHVXIMITJAD-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cccn1C ZINC000780767131 628495812 /nfs/dbraw/zinc/49/58/12/628495812.db2.gz PKAAVDGVBQVNEI-UHFFFAOYSA-N 0 0 256.349 2.987 20 10 CFCDRN CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000780837504 628499687 /nfs/dbraw/zinc/49/96/87/628499687.db2.gz JBOKHXOFOIIERM-UHFFFAOYSA-N 0 0 295.335 2.895 20 10 CFCDRN C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892911 628502785 /nfs/dbraw/zinc/50/27/85/628502785.db2.gz RDVKHTHAJLZRSE-QWRGUYRKSA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1ccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)c(O)c1O ZINC000780949226 628507447 /nfs/dbraw/zinc/50/74/47/628507447.db2.gz IGOUFWGSTOVKAA-NXEZZACHSA-N 0 0 277.364 2.961 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c(O)c1O ZINC000780949224 628507484 /nfs/dbraw/zinc/50/74/84/628507484.db2.gz IGOUFWGSTOVKAA-IAZYJMLFSA-N 0 0 277.364 2.961 20 10 CFCDRN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(O)c1O ZINC000780955294 628508058 /nfs/dbraw/zinc/50/80/58/628508058.db2.gz MKGRTMMDZALXGB-KOLCDFICSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)c(O)c1O ZINC000780956831 628508599 /nfs/dbraw/zinc/50/85/99/628508599.db2.gz NAJNVZAZUZEXOQ-UHFFFAOYSA-N 0 0 297.314 2.545 20 10 CFCDRN Cc1ccc(C(=O)NCc2c(C)cccc2F)c(O)c1O ZINC000780956904 628508622 /nfs/dbraw/zinc/50/86/22/628508622.db2.gz YKZBKCYVCUEKAM-UHFFFAOYSA-N 0 0 289.306 2.784 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780967340 628509020 /nfs/dbraw/zinc/50/90/20/628509020.db2.gz SQMVFCPDPDEWAI-JQWIXIFHSA-N 0 0 263.337 2.715 20 10 CFCDRN Cc1ccsc1CCNC(=O)c1ccc(C)c(O)c1O ZINC000781014579 628512844 /nfs/dbraw/zinc/51/28/44/628512844.db2.gz QJIIPPVYICKVCQ-UHFFFAOYSA-N 0 0 291.372 2.749 20 10 CFCDRN Cc1cc(Br)c(O)c(CNCc2cocn2)c1 ZINC000781628897 628568218 /nfs/dbraw/zinc/56/82/18/628568218.db2.gz CNXGRFDRJSYHAX-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN COCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781897475 628589624 /nfs/dbraw/zinc/58/96/24/628589624.db2.gz RBEAJBFFXRMOLW-UHFFFAOYSA-N 0 0 288.185 2.541 20 10 CFCDRN CC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781897789 628589909 /nfs/dbraw/zinc/58/99/09/628589909.db2.gz SSPIUBMWBQDFNI-UHFFFAOYSA-N 0 0 258.159 2.915 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C=CCC1 ZINC000852138724 634669180 /nfs/dbraw/zinc/66/91/80/634669180.db2.gz SAMYGNPAWHNKJS-HNNXBMFYSA-N 0 0 283.375 2.581 20 10 CFCDRN CC[C@H](N[C@@H](C)c1ncn(C)n1)c1cc(Cl)ccc1O ZINC000783297204 628698206 /nfs/dbraw/zinc/69/82/06/628698206.db2.gz GCDXENDRXLLPIV-CABZTGNLSA-N 0 0 294.786 2.976 20 10 CFCDRN COC[C@@H](CN(C)c1ccc(-c2nccs2)cc1)OC ZINC000852165692 634678226 /nfs/dbraw/zinc/67/82/26/634678226.db2.gz HSEHTYXTNWTRPS-CQSZACIVSA-N 0 0 292.404 2.908 20 10 CFCDRN C[C@@H](NC(=O)/C=C/c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000783718753 628737681 /nfs/dbraw/zinc/73/76/81/628737681.db2.gz QMLZGBKMIQOYGQ-RUNBWSAHSA-N 0 0 283.375 2.971 20 10 CFCDRN CN(C)c1ccc(CN2CCc3ncsc3C2)cc1 ZINC000783746478 628740746 /nfs/dbraw/zinc/74/07/46/628740746.db2.gz XWSAHBBWQARBKK-UHFFFAOYSA-N 0 0 273.405 2.767 20 10 CFCDRN CCOc1ccc(O)c(CN2CCc3ncsc3C2)c1 ZINC000783745576 628740973 /nfs/dbraw/zinc/74/09/73/628740973.db2.gz OFFDYXVQKHQIGW-UHFFFAOYSA-N 0 0 290.388 2.806 20 10 CFCDRN CC(C)(C)CCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783744237 628741178 /nfs/dbraw/zinc/74/11/78/628741178.db2.gz JVVVDHVBLQFDMS-UHFFFAOYSA-N 0 0 280.320 2.650 20 10 CFCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000784036310 628767533 /nfs/dbraw/zinc/76/75/33/628767533.db2.gz SSVORPOUPAYVTB-WFASDCNBSA-N 0 0 291.391 2.686 20 10 CFCDRN O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc(O)c1O ZINC000784475966 628819714 /nfs/dbraw/zinc/81/97/14/628819714.db2.gz ACZQWQFOSYQYAH-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nc(C)n2)cc1 ZINC000852208818 634689363 /nfs/dbraw/zinc/68/93/63/634689363.db2.gz JAAPAEVFUNPQDO-UHFFFAOYSA-N 0 0 257.337 2.738 20 10 CFCDRN COc1ccc(N(C)CCN(C)Cc2coc(C)n2)cc1 ZINC000852210955 634690249 /nfs/dbraw/zinc/69/02/49/634690249.db2.gz CHVUFJCZXNTJAS-UHFFFAOYSA-N 0 0 289.379 2.560 20 10 CFCDRN Cc1c(NCc2ccccc2O)cccc1N1CCNC1=O ZINC000785557741 628894119 /nfs/dbraw/zinc/89/41/19/628894119.db2.gz VTAIQIOZQWEDNJ-UHFFFAOYSA-N 0 0 297.358 2.842 20 10 CFCDRN Cc1cncc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000785684713 628905217 /nfs/dbraw/zinc/90/52/17/628905217.db2.gz KXFKJKLAHDHNLV-HWKANZROSA-N 0 0 285.299 2.558 20 10 CFCDRN CN(C)c1ccc(CN2C[C@@H](CO)Oc3ccccc32)cc1 ZINC000785709679 628907219 /nfs/dbraw/zinc/90/72/19/628907219.db2.gz MYPBFMXHSQHQKI-INIZCTEOSA-N 0 0 298.386 2.513 20 10 CFCDRN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000786137731 628939256 /nfs/dbraw/zinc/93/92/56/628939256.db2.gz AVKNDALLYKHYKA-AVGNSLFASA-N 0 0 293.411 2.536 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000786966025 628986543 /nfs/dbraw/zinc/98/65/43/628986543.db2.gz KDPDMHNANKDVQN-BJWYYQGGSA-N 0 0 299.418 2.885 20 10 CFCDRN COC(C)(C)CC(=O)NCCCSc1nccs1 ZINC000787349496 629007878 /nfs/dbraw/zinc/00/78/78/629007878.db2.gz MPRGNBPVLZKSEF-UHFFFAOYSA-N 0 0 288.438 2.557 20 10 CFCDRN CCN(CC)c1ccc(CN2C[C@@H](O)CC(F)(F)C2)cc1 ZINC000787438378 629013110 /nfs/dbraw/zinc/01/31/10/629013110.db2.gz PYEDIGFHSGACGH-HNNXBMFYSA-N 0 0 298.377 2.735 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](O)C[C@H]2C)cc1 ZINC000788542914 629080768 /nfs/dbraw/zinc/08/07/68/629080768.db2.gz MCEMSOWPMVAQST-PBHICJAKSA-N 0 0 298.386 2.689 20 10 CFCDRN CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756765 629097463 /nfs/dbraw/zinc/09/74/63/629097463.db2.gz JGEUGMIEEHTESW-BDAKNGLRSA-N 0 0 277.286 2.833 20 10 CFCDRN CSC1(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000788863293 629105772 /nfs/dbraw/zinc/10/57/72/629105772.db2.gz GYVOWHDDPJUKDB-UHFFFAOYSA-N 0 0 278.421 2.573 20 10 CFCDRN C[C@@H](NC(=S)NC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000789297351 629145034 /nfs/dbraw/zinc/14/50/34/629145034.db2.gz QMAUCPBCIVOSGC-LLVKDONJSA-N 0 0 277.437 2.830 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c(F)ccc(O)c1O ZINC000789987765 629202110 /nfs/dbraw/zinc/20/21/10/629202110.db2.gz VUSWMQMCVRUKIJ-CMPLNLGQSA-N 0 0 293.338 2.936 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccsc1Cl ZINC000790100787 629210608 /nfs/dbraw/zinc/21/06/08/629210608.db2.gz IILFJUKJFICAJS-HWKANZROSA-N 0 0 261.780 2.890 20 10 CFCDRN Cc1conc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790245576 629222647 /nfs/dbraw/zinc/22/26/47/629222647.db2.gz MXSDNYZVGPFJOU-UHFFFAOYSA-N 0 0 291.326 2.571 20 10 CFCDRN Cc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)n(C)n1 ZINC000790601680 629251514 /nfs/dbraw/zinc/25/15/14/629251514.db2.gz MSCZGMWIYGWVKT-UHFFFAOYSA-N 0 0 283.734 2.516 20 10 CFCDRN Cc1noc(C(C)(C)NCc2cc(Cl)ccc2O)n1 ZINC000790623437 629252856 /nfs/dbraw/zinc/25/28/56/629252856.db2.gz UHAAHTAFSQSBKW-UHFFFAOYSA-N 0 0 281.743 2.762 20 10 CFCDRN C[C@@H](Cn1ccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949280 629273503 /nfs/dbraw/zinc/27/35/03/629273503.db2.gz FWJVGTNRTDRBFZ-VIFPVBQESA-N 0 0 283.734 2.560 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949812 629273816 /nfs/dbraw/zinc/27/38/16/629273816.db2.gz IVSRPMLQSQJOAA-SECBINFHSA-N 0 0 283.734 2.560 20 10 CFCDRN COC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790972009 629276250 /nfs/dbraw/zinc/27/62/50/629276250.db2.gz DHALSPRIAJIIFE-NSHDSACASA-N 0 0 275.751 2.945 20 10 CFCDRN C[C@@H](CO)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790980114 629276960 /nfs/dbraw/zinc/27/69/60/629276960.db2.gz HZJBDBYPBKIDIM-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN Cc1ccc2c(c1)CCN(C(=O)c1cccc(O)c1O)C2 ZINC000790987329 629277892 /nfs/dbraw/zinc/27/78/92/629277892.db2.gz BGBYJVWQGXKWJD-UHFFFAOYSA-N 0 0 283.327 2.605 20 10 CFCDRN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000835026429 629322426 /nfs/dbraw/zinc/32/24/26/629322426.db2.gz WAKBGXUAFRYYFP-ICWYTKJFSA-N 0 0 274.408 2.875 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2[C@@H](C)C[C@@H]2C)c1O ZINC000791564870 629333079 /nfs/dbraw/zinc/33/30/79/629333079.db2.gz ASIWCCAIKALJGH-IUCAKERBSA-N 0 0 251.301 2.717 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCOCC23CC3)cc1 ZINC000835049562 629349441 /nfs/dbraw/zinc/34/94/41/629349441.db2.gz KESMYJFWDIEEQC-ARJAWSKDSA-N 0 0 272.392 2.631 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCCc3n[nH]cc32)cc1 ZINC000835055204 629360441 /nfs/dbraw/zinc/36/04/41/629360441.db2.gz 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/nfs/dbraw/zinc/29/01/05/631290105.db2.gz CETGQXDAPAKVLT-UHFFFAOYSA-N 0 0 285.299 2.683 20 10 CFCDRN CN(C)c1ccc(CNc2cccc3c2CCNC3=O)cc1 ZINC000840973862 631291083 /nfs/dbraw/zinc/29/10/83/631291083.db2.gz PYVFGDZTEPWAGA-UHFFFAOYSA-N 0 0 295.386 2.651 20 10 CFCDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975951 631291324 /nfs/dbraw/zinc/29/13/24/631291324.db2.gz ATDQTUAROMQRDZ-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840980137 631294284 /nfs/dbraw/zinc/29/42/84/631294284.db2.gz WKHUBTNTYROKRF-GXSJLCMTSA-N 0 0 287.762 2.825 20 10 CFCDRN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000840998446 631298544 /nfs/dbraw/zinc/29/85/44/631298544.db2.gz HUVDMRMSGSWETE-INIZCTEOSA-N 0 0 299.370 2.958 20 10 CFCDRN CCCN(CCC)c1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1 ZINC000840999193 631299139 /nfs/dbraw/zinc/29/91/39/631299139.db2.gz PGZCYHROYGSCMB-UHFFFAOYSA-N 0 0 290.407 2.829 20 10 CFCDRN COc1cc(C)c(CNc2ccc(N)cc2)c(C)n1 ZINC000841039906 631317826 /nfs/dbraw/zinc/31/78/26/631317826.db2.gz DMBGPEGYDDYUIC-UHFFFAOYSA-N 0 0 257.337 2.901 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105629 631341175 /nfs/dbraw/zinc/34/11/75/631341175.db2.gz SVPCGBKCGANDCY-AWEZNQCLSA-N 0 0 284.762 2.513 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CCOC)COC)c1ccc(F)cc1[O-] ZINC000810256927 631351187 /nfs/dbraw/zinc/35/11/87/631351187.db2.gz IUBJHXYEOMUCAI-TZMCWYRMSA-N 0 0 285.359 2.624 20 10 CFCDRN CC1(C)COc2ccc(C(=O)NCc3ccccc3O)cc21 ZINC000810274284 631353796 /nfs/dbraw/zinc/35/37/96/631353796.db2.gz AHVCYFAWOBFHFP-UHFFFAOYSA-N 0 0 297.354 2.992 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(CCF)CC2)c1 ZINC000810347626 631365375 /nfs/dbraw/zinc/36/53/75/631365375.db2.gz JCPQEPDXLNWZDH-JTQLQIEISA-N 0 0 281.327 2.718 20 10 CFCDRN O=C(NCCCSc1nccs1)C1(CCF)CC1 ZINC000810399378 631367215 /nfs/dbraw/zinc/36/72/15/631367215.db2.gz UNIUMRPDPBUFHT-UHFFFAOYSA-N 0 0 288.413 2.881 20 10 CFCDRN Cc1cc(C)c(NC(=O)NCCc2ccc(N)cc2)c(C)n1 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ZINC000841346975 631392688 /nfs/dbraw/zinc/39/26/88/631392688.db2.gz JCKZNIPYNKKWHX-ZDUSSCGKSA-N 0 0 272.392 2.828 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1C ZINC000841716524 631457502 /nfs/dbraw/zinc/45/75/02/631457502.db2.gz RLOQQZRNDHSCKE-RDBSUJKOSA-N 0 0 289.423 2.939 20 10 CFCDRN C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841744553 631463349 /nfs/dbraw/zinc/46/33/49/631463349.db2.gz PSFZRVDLBSPJKV-JTQLQIEISA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[S@@](C)=O ZINC000841752570 631465956 /nfs/dbraw/zinc/46/59/56/631465956.db2.gz UHDFWSGKJDDLOO-AUSHCKSDSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)cc1[O-] ZINC000841757165 631468169 /nfs/dbraw/zinc/46/81/69/631468169.db2.gz FHERBZCQBBJQEU-SKDRFNHKSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841762228 631468821 /nfs/dbraw/zinc/46/88/21/631468821.db2.gz IABBJDCKYPUEJZ-JTQLQIEISA-N 0 0 296.798 2.742 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccc3c(c2)CCCN3)cc1 ZINC000841847644 631479256 /nfs/dbraw/zinc/47/92/56/631479256.db2.gz DMYKBPCBLPOREW-UHFFFAOYSA-N 0 0 295.386 2.599 20 10 CFCDRN C[C@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841896522 631490695 /nfs/dbraw/zinc/49/06/95/631490695.db2.gz PAOXGTIOOHJJOO-JSGCOSHPSA-N 0 0 275.396 2.547 20 10 CFCDRN CC(F)(F)CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841906751 631492823 /nfs/dbraw/zinc/49/28/23/631492823.db2.gz FFNRDYLHXZTNLE-UHFFFAOYSA-N 0 0 285.338 2.546 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841915360 631493344 /nfs/dbraw/zinc/49/33/44/631493344.db2.gz FMBWEEFPXYSUCQ-ZBFHGGJFSA-N 0 0 275.396 2.545 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000841953760 631495436 /nfs/dbraw/zinc/49/54/36/631495436.db2.gz CGSPREWXNDDMFA-UHFFFAOYSA-N 0 0 287.407 2.787 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000841953600 631495644 /nfs/dbraw/zinc/49/56/44/631495644.db2.gz ATGFWRKBNLEDPB-GOEBONIOSA-N 0 0 287.407 2.785 20 10 CFCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC(C)(C)C1 ZINC000841958612 631496607 /nfs/dbraw/zinc/49/66/07/631496607.db2.gz GNOQZOFOKLCLLQ-ZDUSSCGKSA-N 0 0 289.423 2.889 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)NCCc1ccc(N)cc1 ZINC000841957452 631496622 /nfs/dbraw/zinc/49/66/22/631496622.db2.gz BLGQMEWUNVVOOZ-UHFFFAOYSA-N 0 0 295.386 2.892 20 10 CFCDRN O=C1CC[C@H](COc2ccc(N3CCCC3)cc2)CCN1 ZINC000842033686 631508577 /nfs/dbraw/zinc/50/85/77/631508577.db2.gz CDWMHWYOFZOFAT-AWEZNQCLSA-N 0 0 288.391 2.582 20 10 CFCDRN CCC(C)(C)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000811120778 631520662 /nfs/dbraw/zinc/52/06/62/631520662.db2.gz WHZVRXGNPZJZAG-UHFFFAOYSA-N 0 0 256.323 2.616 20 10 CFCDRN CO[C@H](COC(=O)c1ccc(C)c(O)c1O)CC(C)C ZINC000842071331 631524424 /nfs/dbraw/zinc/52/44/24/631524424.db2.gz DWGXJILFUBXVMD-NSHDSACASA-N 0 0 282.336 2.624 20 10 CFCDRN Cc1ncsc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000811155845 631525688 /nfs/dbraw/zinc/52/56/88/631525688.db2.gz BRDTXPRQGXKRJV-HYXAFXHYSA-N 0 0 291.328 2.619 20 10 CFCDRN Cc1cc(O)c(CN2CCCc3n[nH]cc32)cc1C ZINC000811497231 631571742 /nfs/dbraw/zinc/57/17/42/631571742.db2.gz KPJQPVPUIIRFSX-UHFFFAOYSA-N 0 0 257.337 2.685 20 10 CFCDRN COC(=O)c1cc(/C=C2\c3cc(C)ccc3N(C)C2=O)c[nH]1 ZINC000811697428 631608044 /nfs/dbraw/zinc/60/80/44/631608044.db2.gz DCTHMRIYJFZROB-NTUHNPAUSA-N 0 0 296.326 2.627 20 10 CFCDRN COC(=O)c1cc(/C=C2/c3cc(C)ccc3N(C)C2=O)c[nH]1 ZINC000811697430 631608218 /nfs/dbraw/zinc/60/82/18/631608218.db2.gz DCTHMRIYJFZROB-QPEQYQDCSA-N 0 0 296.326 2.627 20 10 CFCDRN Oc1ccc(CCNc2nccc3occc32)cc1O ZINC000811811312 631625870 /nfs/dbraw/zinc/62/58/70/631625870.db2.gz ROKVUGDEGVHGMI-UHFFFAOYSA-N 0 0 270.288 2.894 20 10 CFCDRN CCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840239871 631641199 /nfs/dbraw/zinc/64/11/99/631641199.db2.gz DPOXRJSAKKCXLC-CYBMUJFWSA-N 0 0 277.412 2.701 20 10 CFCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)F)CC2)cc1 ZINC000155495656 650022784 /nfs/dbraw/zinc/02/27/84/650022784.db2.gz ADPRBKIFVPSMCQ-UHFFFAOYSA-N 0 0 294.370 2.528 20 10 CFCDRN 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COUYBRCXDWZTBW-JTQLQIEISA-N 0 0 298.346 2.856 20 10 CFCDRN C[NH2+]C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843045275 631811891 /nfs/dbraw/zinc/81/18/91/631811891.db2.gz UBJXVBOPAUIAOZ-JTQLQIEISA-N 0 0 286.778 2.616 20 10 CFCDRN CC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000843050636 631815305 /nfs/dbraw/zinc/81/53/05/631815305.db2.gz NBYTYLUXYFPLFM-JOYOIKCWSA-N 0 0 286.778 2.744 20 10 CFCDRN C[C@@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000840277058 631816070 /nfs/dbraw/zinc/81/60/70/631816070.db2.gz QKDKJPBJNGDOQM-SECBINFHSA-N 0 0 290.285 2.780 20 10 CFCDRN C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C[NH3+] ZINC000843052511 631816966 /nfs/dbraw/zinc/81/69/66/631816966.db2.gz VFGSJDPDDVUWPL-TVQRCGJNSA-N 0 0 286.778 2.744 20 10 CFCDRN CCC[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843057626 631820511 /nfs/dbraw/zinc/82/05/11/631820511.db2.gz FXAHJDHOAWFTQF-LBPRGKRZSA-N 0 0 286.778 2.759 20 10 CFCDRN CC(C)OCCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158299 631869877 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/nfs/dbraw/zinc/92/07/79/631920779.db2.gz UKQXVWIFHSABNQ-LLVKDONJSA-N 0 0 272.352 2.618 20 10 CFCDRN CCc1nc(C(=O)NCc2ccc(N(C)C)cc2C)co1 ZINC000156026516 650040323 /nfs/dbraw/zinc/04/03/23/650040323.db2.gz OLEVDHNMQGDRTA-UHFFFAOYSA-N 0 0 287.363 2.541 20 10 CFCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)Cc2ccccc21 ZINC000843367801 631938705 /nfs/dbraw/zinc/93/87/05/631938705.db2.gz HRQPOYXDTGJLRH-CYBMUJFWSA-N 0 0 280.371 2.957 20 10 CFCDRN CC[C@H](C)C[C@H](NCc1cc(F)ccc1O)C(=O)OC ZINC000843415339 631948119 /nfs/dbraw/zinc/94/81/19/631948119.db2.gz KFNKUXVIBKFHFO-GWCFXTLKSA-N 0 0 283.343 2.599 20 10 CFCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc(N(C)C)cc1 ZINC000843422114 631951339 /nfs/dbraw/zinc/95/13/39/631951339.db2.gz CFWSZOBVUPAMQV-HNNXBMFYSA-N 0 0 292.423 2.820 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)c(O)c1O ZINC000813858859 631968457 /nfs/dbraw/zinc/96/84/57/631968457.db2.gz CSSCYYNFACLPQC-YGRLFVJLSA-N 0 0 299.326 2.658 20 10 CFCDRN Cc1nnsc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000813883503 631972035 /nfs/dbraw/zinc/97/20/35/631972035.db2.gz OILCHPDTJIKOMV-LURJTMIESA-N 0 0 285.319 2.681 20 10 CFCDRN COc1cccc(O)c1CN1C[C@H](CO)Cc2ccccc21 ZINC000814170205 632021483 /nfs/dbraw/zinc/02/14/83/632021483.db2.gz UQNDPOAFGWKZSU-CYBMUJFWSA-N 0 0 299.370 2.572 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C/C2CCCC2)c1 ZINC000843830056 632063836 /nfs/dbraw/zinc/06/38/36/632063836.db2.gz ADHRZGULHATRJE-RMKNXTFCSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2CC3(CCC3)C2)c1 ZINC000843830108 632064322 /nfs/dbraw/zinc/06/43/22/632064322.db2.gz BTFJCUVUADEFQZ-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)c2cccc(O)c2O)CC12CC=CC2 ZINC000844094796 632117491 /nfs/dbraw/zinc/11/74/91/632117491.db2.gz CFXLBXQGHYZCJQ-HNNXBMFYSA-N 0 0 287.359 2.915 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1C1CCC1 ZINC000844124528 632123464 /nfs/dbraw/zinc/12/34/64/632123464.db2.gz USYYMUAKDIKAGF-CYBMUJFWSA-N 0 0 275.348 2.893 20 10 CFCDRN Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(N)cc2)n1 ZINC000844162492 632130674 /nfs/dbraw/zinc/13/06/74/632130674.db2.gz FHXWGHKGFLXGBN-LBPRGKRZSA-N 0 0 272.352 2.672 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844281536 632154524 /nfs/dbraw/zinc/15/45/24/632154524.db2.gz MUJLETUJCMGASZ-QMMMGPOBSA-N 0 0 256.733 2.643 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)/C=C(\C)COC)cc1 ZINC000844339278 632174054 /nfs/dbraw/zinc/17/40/54/632174054.db2.gz IQMJNPUKBKBYLZ-SDNWHVSQSA-N 0 0 290.407 2.742 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)n2C2CC2)cc1 ZINC000844352709 632176698 /nfs/dbraw/zinc/17/66/98/632176698.db2.gz DHOASXSFSZDSNB-UHFFFAOYSA-N 0 0 272.352 2.566 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1 ZINC000844353696 632177640 /nfs/dbraw/zinc/17/76/40/632177640.db2.gz VSZZWOHBWCMMLX-UHFFFAOYSA-N 0 0 296.370 2.721 20 10 CFCDRN COc1ccc(N(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844355831 632177789 /nfs/dbraw/zinc/17/77/89/632177789.db2.gz UWDOMBUHKFFAGG-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCc2cccc(C)c2)cc1 ZINC000844353132 632177909 /nfs/dbraw/zinc/17/79/09/632177909.db2.gz HWFZVJYEAUAFQU-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1N(C)C ZINC000815094939 632200768 /nfs/dbraw/zinc/20/07/68/632200768.db2.gz PVHHQZSJSQRWEI-HNNXBMFYSA-N 0 0 290.432 2.946 20 10 CFCDRN CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000815107591 632203670 /nfs/dbraw/zinc/20/36/70/632203670.db2.gz RJGVPATWANEMLB-CQSZACIVSA-N 0 0 292.423 2.835 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)C1=CC(=O)CS1 ZINC000856280411 635773715 /nfs/dbraw/zinc/77/37/15/635773715.db2.gz QYTKCLUNLAEMMM-UHFFFAOYSA-N 0 0 263.309 2.865 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625643 632300585 /nfs/dbraw/zinc/30/05/85/632300585.db2.gz JBLNBLYZUGRZFL-SECBINFHSA-N 0 0 276.302 2.623 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)C(C)(F)F ZINC000815630108 632301603 /nfs/dbraw/zinc/30/16/03/632301603.db2.gz XDMOHSBGRGKFTR-LLVKDONJSA-N 0 0 284.350 2.969 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000815651995 632305854 /nfs/dbraw/zinc/30/58/54/632305854.db2.gz LJYCMTKXMFOHBJ-PELKAZGASA-N 0 0 273.323 2.871 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CC2)cc1 ZINC000844778227 632305882 /nfs/dbraw/zinc/30/58/82/632305882.db2.gz UUFGGPYGQFXWLT-UHFFFAOYSA-N 0 0 287.407 2.885 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844893200 632329202 /nfs/dbraw/zinc/32/92/02/632329202.db2.gz ZLPDULVEXYAXON-IUCAKERBSA-N 0 0 268.744 2.501 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000844938669 632342697 /nfs/dbraw/zinc/34/26/97/632342697.db2.gz VWFJGICSXSHAHP-NSHDSACASA-N 0 0 271.744 2.649 20 10 CFCDRN C[C@H]1CC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845191550 632382146 /nfs/dbraw/zinc/38/21/46/632382146.db2.gz JHSGETBUWRUXLY-KWQFWETISA-N 0 0 268.744 2.643 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000845232583 632390606 /nfs/dbraw/zinc/39/06/06/632390606.db2.gz MJKCIEDXGVJQDH-ZJUUUORDSA-N 0 0 282.771 2.891 20 10 CFCDRN C[C@H]1COCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514265 632475245 /nfs/dbraw/zinc/47/52/45/632475245.db2.gz RKTRNFICLHRGHX-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCCO)C1CC1 ZINC000816510370 632475438 /nfs/dbraw/zinc/47/54/38/632475438.db2.gz TXSSWOKRYCCENK-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000816518947 632477998 /nfs/dbraw/zinc/47/79/98/632477998.db2.gz SNPHFOQOKRWZIW-CQSZACIVSA-N 0 0 285.746 2.797 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816541934 632480689 /nfs/dbraw/zinc/48/06/89/632480689.db2.gz YKWACEAAMHMXAH-VIFPVBQESA-N 0 0 295.745 2.696 20 10 CFCDRN CCN(CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816545531 632481503 /nfs/dbraw/zinc/48/15/03/632481503.db2.gz UIGAAQDUPFULRU-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN CCc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[nH]n1 ZINC000816550287 632482033 /nfs/dbraw/zinc/48/20/33/632482033.db2.gz NEIVVIQUOWWGRV-UHFFFAOYSA-N 0 0 283.734 2.760 20 10 CFCDRN CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549295 632482092 /nfs/dbraw/zinc/48/20/92/632482092.db2.gz JNJBZVKCFWRPLM-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816555925 632483325 /nfs/dbraw/zinc/48/33/25/632483325.db2.gz ULXCNMKKTJDDLC-UHFFFAOYSA-N 0 0 268.719 2.813 20 10 CFCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816568883 632486661 /nfs/dbraw/zinc/48/66/61/632486661.db2.gz SDXAEOIGJXIWCU-CYBMUJFWSA-N 0 0 287.762 2.920 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(C)c2Cl)cc1OC ZINC000816569647 632488346 /nfs/dbraw/zinc/48/83/46/632488346.db2.gz SKLDUGYWOUAYMP-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCOC(F)F ZINC000816600697 632489259 /nfs/dbraw/zinc/48/92/59/632489259.db2.gz FGZOJUHGEQDHRU-UHFFFAOYSA-N 0 0 283.677 2.904 20 10 CFCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000816648509 632503794 /nfs/dbraw/zinc/50/37/94/632503794.db2.gz LLYSBOWKEJKTSL-QWHCGFSZSA-N 0 0 278.371 2.503 20 10 CFCDRN CC[C@@H]1C[N@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816660435 632506325 /nfs/dbraw/zinc/50/63/25/632506325.db2.gz DUHKKDYRFNQOAU-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816665392 632508620 /nfs/dbraw/zinc/50/86/20/632508620.db2.gz FQMIAAGLFOPGSX-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H](C)C(C)(C)C)c(O)c1 ZINC000845697899 632525145 /nfs/dbraw/zinc/52/51/45/632525145.db2.gz IHPKWZGAVIPBSL-SNVBAGLBSA-N 0 0 280.368 2.635 20 10 CFCDRN CCn1cc(/C=C2/c3cccc4c3N(CCC4)C2=O)cn1 ZINC000817346596 632610742 /nfs/dbraw/zinc/61/07/42/632610742.db2.gz VSGKBHLRAWWPSJ-DHDCSXOGSA-N 0 0 279.343 2.736 20 10 CFCDRN CN(C)c1ccc(OCc2nn(C)cc2Cl)cc1 ZINC000817380526 632618024 /nfs/dbraw/zinc/61/80/24/632618024.db2.gz WVLSSRXMTZBMRG-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN C[C@H](NC(=O)[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000817445845 632637161 /nfs/dbraw/zinc/63/71/61/632637161.db2.gz QJSIBIKQGJWSFU-HZMBPMFUSA-N 0 0 282.334 2.975 20 10 CFCDRN CCn1cc(N[C@H](C)c2cccc(OC)c2O)cn1 ZINC000846160262 632649969 /nfs/dbraw/zinc/64/99/69/632649969.db2.gz NNRGCMVGPFXXNW-SNVBAGLBSA-N 0 0 261.325 2.790 20 10 CFCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)nnn3C)c1O ZINC000846173395 632654317 /nfs/dbraw/zinc/65/43/17/632654317.db2.gz PYSYBENMGCOSOH-JTQLQIEISA-N 0 0 298.346 2.856 20 10 CFCDRN COC[C@@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817570773 632666784 /nfs/dbraw/zinc/66/67/84/632666784.db2.gz GZOQBEKBOHGXCG-GFCCVEGCSA-N 0 0 299.798 2.716 20 10 CFCDRN C[C@@H](COCC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000846299432 632685820 /nfs/dbraw/zinc/68/58/20/632685820.db2.gz ZCCQDWOXFQCIEA-AWEZNQCLSA-N 0 0 298.386 2.705 20 10 CFCDRN O=C(CC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846471765 632714843 /nfs/dbraw/zinc/71/48/43/632714843.db2.gz AHJBQVOUSFZCLF-UHFFFAOYSA-N 0 0 267.634 2.614 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474242 632716617 /nfs/dbraw/zinc/71/66/17/632716617.db2.gz SKWQIIHSGYAVGI-TVQRCGJNSA-N 0 0 285.771 2.723 20 10 CFCDRN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881049 632717056 /nfs/dbraw/zinc/71/70/56/632717056.db2.gz FIVWHOMSXXBFSJ-ONGXEEELSA-N 0 0 283.755 2.588 20 10 CFCDRN O=C(CSC(F)F)NCc1cc(Cl)ccc1O ZINC000846476844 632717317 /nfs/dbraw/zinc/71/73/17/632717317.db2.gz PBRWANPWHSTWSH-UHFFFAOYSA-N 0 0 281.711 2.618 20 10 CFCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CCC(=O)CC1 ZINC000846477588 632717596 /nfs/dbraw/zinc/71/75/96/632717596.db2.gz SUCWLXAVCAFVTE-UHFFFAOYSA-N 0 0 295.766 2.811 20 10 CFCDRN O=C(CSC1CC1)NCc1cc(Cl)ccc1O ZINC000846477471 632717663 /nfs/dbraw/zinc/71/76/63/632717663.db2.gz RDPZGEJMLGXOOU-UHFFFAOYSA-N 0 0 271.769 2.557 20 10 CFCDRN CC1=C(C(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000846476772 632717680 /nfs/dbraw/zinc/71/76/80/632717680.db2.gz QAARQEXDOFCWQE-UHFFFAOYSA-N 0 0 281.739 2.746 20 10 CFCDRN O=C(C[C@@H]1CCCCO1)NCc1cc(Cl)ccc1O ZINC000846478087 632718611 /nfs/dbraw/zinc/71/86/11/632718611.db2.gz ZJQXMIWBGWEVPN-LBPRGKRZSA-N 0 0 283.755 2.621 20 10 CFCDRN CCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905574 632728244 /nfs/dbraw/zinc/72/82/44/632728244.db2.gz OZDJYQWNAYLRDF-UHFFFAOYSA-N 0 0 289.404 2.846 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCNC1)c1cccc(Cl)c1[O-] ZINC000817940740 632744255 /nfs/dbraw/zinc/74/42/55/632744255.db2.gz KHOCFLAEJFIEOT-MFKMUULPSA-N 0 0 268.788 2.838 20 10 CFCDRN CC[C@@H]([NH2+]CCNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951200 632751746 /nfs/dbraw/zinc/75/17/46/632751746.db2.gz BGWUDQHOMWGRMW-LLVKDONJSA-N 0 0 277.195 2.959 20 10 CFCDRN C[NH2+]CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952436 632752583 /nfs/dbraw/zinc/75/25/83/632752583.db2.gz PTRGKZXITCLPNB-SSDOTTSWSA-N 0 0 263.168 2.569 20 10 CFCDRN CC[C@@H](NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817956035 632756043 /nfs/dbraw/zinc/75/60/43/632756043.db2.gz OGPCROJFDUBLTA-SNVBAGLBSA-N 0 0 275.179 2.712 20 10 CFCDRN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(N)cc1 ZINC000846662647 632767663 /nfs/dbraw/zinc/76/76/63/632767663.db2.gz WHHDZEYSDJESGW-UHFFFAOYSA-N 0 0 298.390 2.673 20 10 CFCDRN COc1cccc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000846747530 632782876 /nfs/dbraw/zinc/78/28/76/632782876.db2.gz MGANQHRSZXVYKR-UHFFFAOYSA-N 0 0 275.327 2.907 20 10 CFCDRN CCN(Cc1cnsn1)c1ccc(OC)c(OC)c1 ZINC000846823458 632810889 /nfs/dbraw/zinc/81/08/89/632810889.db2.gz OJVSOMFFYQGXNT-UHFFFAOYSA-N 0 0 279.365 2.582 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC34CC4)cs2)cc1 ZINC000818287273 632823007 /nfs/dbraw/zinc/82/30/07/632823007.db2.gz URZHVERDZIJURW-CYBMUJFWSA-N 0 0 299.399 2.598 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2CC23CCCC3)cc1 ZINC000818544766 632863560 /nfs/dbraw/zinc/86/35/60/632863560.db2.gz MVPUWLQPWKYRBZ-CQSZACIVSA-N 0 0 258.365 2.508 20 10 CFCDRN Nc1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1 ZINC000818556208 632865498 /nfs/dbraw/zinc/86/54/98/632865498.db2.gz AMXZNSOODGVBCG-UHFFFAOYSA-N 0 0 267.332 2.795 20 10 CFCDRN Cc1cc(O)c(C[NH2+]CCC(C)(C)C(=O)[O-])cc1C ZINC000818629182 632883697 /nfs/dbraw/zinc/88/36/97/632883697.db2.gz UVJMKZLGNCKAMK-UHFFFAOYSA-N 0 0 265.353 2.600 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000818631456 632884664 /nfs/dbraw/zinc/88/46/64/632884664.db2.gz GBFRZOJDMZMDNM-MEBBXXQBSA-N 0 0 277.364 2.694 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000818630631 632884891 /nfs/dbraw/zinc/88/48/91/632884891.db2.gz SVFBCHLJHIVRKK-CYBMUJFWSA-N 0 0 295.379 2.627 20 10 CFCDRN CC(C)[C@@H](C(=O)[O-])[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000819164186 632992955 /nfs/dbraw/zinc/99/29/55/632992955.db2.gz PSJZEAWMCXMCBS-SWLSCSKDSA-N 0 0 278.396 2.588 20 10 CFCDRN CCC[C@@H](CC)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168843 632994129 /nfs/dbraw/zinc/99/41/29/632994129.db2.gz WPOWNRYIMWCJDG-CYBMUJFWSA-N 0 0 290.363 2.735 20 10 CFCDRN CCC[C@H](CC)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168844 632994336 /nfs/dbraw/zinc/99/43/36/632994336.db2.gz WPOWNRYIMWCJDG-ZDUSSCGKSA-N 0 0 290.363 2.735 20 10 CFCDRN CC(C)C[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167596 632994506 /nfs/dbraw/zinc/99/45/06/632994506.db2.gz FPZAHVFNEAEPNE-LBPRGKRZSA-N 0 0 290.363 2.591 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000857079859 635926563 /nfs/dbraw/zinc/92/65/63/635926563.db2.gz AMAQNIHBDLOANH-RKDXNWHRSA-N 0 0 286.278 2.996 20 10 CFCDRN COC[C@@H](CC(C)(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000848594748 633297549 /nfs/dbraw/zinc/29/75/49/633297549.db2.gz OWLSFJANPSCHFZ-CYBMUJFWSA-N 0 0 279.384 2.842 20 10 CFCDRN CCCCCCOCC(=O)NCc1cccc(OC)c1O ZINC000107767056 633316259 /nfs/dbraw/zinc/31/62/59/633316259.db2.gz ZNSPMGAFMBKDKS-UHFFFAOYSA-N 0 0 295.379 2.614 20 10 CFCDRN CCc1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1O ZINC000848887937 633363987 /nfs/dbraw/zinc/36/39/87/633363987.db2.gz IQBCMXMLEOXZTK-UHFFFAOYSA-N 0 0 261.365 2.710 20 10 CFCDRN CCc1cccc(CNC(C)(C)c2noc(C)n2)c1O ZINC000848893931 633379429 /nfs/dbraw/zinc/37/94/29/633379429.db2.gz ADRCRYSKDPWXPM-UHFFFAOYSA-N 0 0 275.352 2.671 20 10 CFCDRN CCc1cccc(CNc2ccc(OC)cn2)c1O ZINC000848900026 633388146 /nfs/dbraw/zinc/38/81/46/633388146.db2.gz XAILLFDTYOWMBT-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1F ZINC000848900174 633388264 /nfs/dbraw/zinc/38/82/64/633388264.db2.gz CECHPMPUEMBISG-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1OC ZINC000848902297 633389112 /nfs/dbraw/zinc/38/91/12/633389112.db2.gz CBGMTPGUSXZLOB-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN C/C=C/C[C@H](NCc1cccc(CC)c1O)C(=O)OCC ZINC000848904794 633390741 /nfs/dbraw/zinc/39/07/41/633390741.db2.gz BJKHRLHPPUMADW-SZTZYQKNSA-N 0 0 291.391 2.942 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000848926430 633410156 /nfs/dbraw/zinc/41/01/56/633410156.db2.gz XHMMHYDTTKJGLR-JTQLQIEISA-N 0 0 292.358 2.776 20 10 CFCDRN CC(C)NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028530 633469245 /nfs/dbraw/zinc/46/92/45/633469245.db2.gz MEUWGZSSWFGYLD-UHFFFAOYSA-N 0 0 276.167 2.721 20 10 CFCDRN CC[C@H](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849360155 633627751 /nfs/dbraw/zinc/62/77/51/633627751.db2.gz YKPLNBKYMYRBJF-LBPRGKRZSA-N 0 0 290.363 2.593 20 10 CFCDRN O=C1O[C@H](CSc2ncc(Cl)s2)CC12CC2 ZINC000850000556 633786760 /nfs/dbraw/zinc/78/67/60/633786760.db2.gz ZCWLLRUNHCBMSQ-LURJTMIESA-N 0 0 275.782 2.984 20 10 CFCDRN CN1CCC[C@H](CSc2ncc(Cl)s2)C1=O ZINC000850001149 633787570 /nfs/dbraw/zinc/78/75/70/633787570.db2.gz DFELMYGJROJCHX-SSDOTTSWSA-N 0 0 276.814 2.757 20 10 CFCDRN O=C1O[C@H](CSc2ncc(Cl)s2)CN1C1CC1 ZINC000850001893 633787767 /nfs/dbraw/zinc/78/77/67/633787767.db2.gz OGBFVHYLEDWAHZ-ZETCQYMHSA-N 0 0 290.797 2.872 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000850341282 633945641 /nfs/dbraw/zinc/94/56/41/633945641.db2.gz FPPKUMDHVNVQRS-LLVKDONJSA-N 0 0 287.319 2.589 20 10 CFCDRN C[C@@H]1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352628 633951792 /nfs/dbraw/zinc/95/17/92/633951792.db2.gz CMPOPXQULJQYGF-WSXGPOFGSA-N 0 0 297.406 2.653 20 10 CFCDRN C[C@@H]1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352626 633952195 /nfs/dbraw/zinc/95/21/95/633952195.db2.gz CMPOPXQULJQYGF-GNVQUDOXSA-N 0 0 297.406 2.653 20 10 CFCDRN CC(C)(C)OCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850371512 633961137 /nfs/dbraw/zinc/96/11/37/633961137.db2.gz XSYZGLXSEQLUCN-UHFFFAOYSA-N 0 0 282.340 2.595 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000850377786 633965617 /nfs/dbraw/zinc/96/56/17/633965617.db2.gz MBESVAZXHXYUBQ-COPLHBTASA-N 0 0 276.336 2.826 20 10 CFCDRN CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850383227 633968543 /nfs/dbraw/zinc/96/85/43/633968543.db2.gz BSCSFEAEVCTUEQ-CQSZACIVSA-N 0 0 264.325 2.969 20 10 CFCDRN CON(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850478501 634008749 /nfs/dbraw/zinc/00/87/49/634008749.db2.gz BOBRIHVFFKTKGO-MRVPVSSYSA-N 0 0 293.194 2.843 20 10 CFCDRN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)cc1O ZINC000850499079 634019023 /nfs/dbraw/zinc/01/90/23/634019023.db2.gz JEUMNFSVCHGFTF-VDDIYKPWSA-N 0 0 292.770 2.994 20 10 CFCDRN C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850499231 634020105 /nfs/dbraw/zinc/02/01/05/634020105.db2.gz LKQNFTMLBOWCNT-PTRXPTGYSA-N 0 0 292.770 2.994 20 10 CFCDRN CC[C@H]([NH2+]C/C=C\CO)c1cccc(Cl)c1[O-] ZINC000850510344 634023956 /nfs/dbraw/zinc/02/39/56/634023956.db2.gz XOMLTOJZTABUFU-MVZIDQBPSA-N 0 0 255.745 2.635 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000850512952 634025360 /nfs/dbraw/zinc/02/53/60/634025360.db2.gz CCBHGCAVKPBUTF-YUSALJHKSA-N 0 0 253.317 2.749 20 10 CFCDRN Cc1cc(C(=O)OCC(=O)C2CC2)c(C)n1-c1ccccn1 ZINC000109369800 634034091 /nfs/dbraw/zinc/03/40/91/634034091.db2.gz TXGHDKCHDGOJGQ-UHFFFAOYSA-N 0 0 298.342 2.625 20 10 CFCDRN COc1ccnc(CN[C@H](C)c2cc(F)ccc2O)c1F ZINC000850536773 634042148 /nfs/dbraw/zinc/04/21/48/634042148.db2.gz JTKLNXRZEZTEGI-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545275 634045931 /nfs/dbraw/zinc/04/59/31/634045931.db2.gz NZBDZWNSADTAHU-WFASDCNBSA-N 0 0 281.371 2.981 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000850546748 634047226 /nfs/dbraw/zinc/04/72/26/634047226.db2.gz OPALJZRIIMSXAQ-CKLFPEKLSA-N 0 0 283.318 2.625 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000850546749 634047420 /nfs/dbraw/zinc/04/74/20/634047420.db2.gz OPALJZRIIMSXAQ-HJIKLVIJSA-N 0 0 283.318 2.625 20 10 CFCDRN CCNc1nccnc1NCc1ccc(N(C)C)cc1 ZINC000853094412 634902372 /nfs/dbraw/zinc/90/23/72/634902372.db2.gz XDYDOAGMSSHQMG-UHFFFAOYSA-N 0 0 271.368 2.587 20 10 CFCDRN CCn1nccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000853094187 634902567 /nfs/dbraw/zinc/90/25/67/634902567.db2.gz RZRWVKGADOKIGT-UHFFFAOYSA-N 0 0 283.734 2.691 20 10 CFCDRN CN(C)c1ccc(CN(c2cnc(F)cn2)C2CC2)cc1 ZINC000853208600 634934691 /nfs/dbraw/zinc/93/46/91/634934691.db2.gz HOTKYKMLRYFJHA-UHFFFAOYSA-N 0 0 286.354 2.851 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2)cc1 ZINC000008697945 634965254 /nfs/dbraw/zinc/96/52/54/634965254.db2.gz SVVHCRNIFUYRCH-OAHLLOKOSA-N 0 0 287.359 2.571 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1cnccn1 ZINC000853577338 635040725 /nfs/dbraw/zinc/04/07/25/635040725.db2.gz IVBKIQZYUUZZLH-UHFFFAOYSA-N 0 0 257.337 2.989 20 10 CFCDRN CN(C)c1ccc(OCc2cn(C(C)(C)C)nn2)cc1 ZINC000853693792 635077111 /nfs/dbraw/zinc/07/71/11/635077111.db2.gz UJLMKUPSKIKODP-UHFFFAOYSA-N 0 0 274.368 2.678 20 10 CFCDRN Cc1noc(COc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000853694300 635077924 /nfs/dbraw/zinc/07/79/24/635077924.db2.gz YBMFFWHGBAWVGZ-UHFFFAOYSA-N 0 0 277.280 2.536 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3cc(C)nc(C)n3)C2)cc1 ZINC000853759751 635097598 /nfs/dbraw/zinc/09/75/98/635097598.db2.gz ZADXUEFWMFAZNL-CQSZACIVSA-N 0 0 298.390 2.793 20 10 CFCDRN Cc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853955474 635177643 /nfs/dbraw/zinc/17/76/43/635177643.db2.gz PBQUDNJIUSHCFZ-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN COCCc1nsc(Sc2ncc(Cl)s2)n1 ZINC000853965270 635180791 /nfs/dbraw/zinc/18/07/91/635180791.db2.gz XKSGFVNUTNNYIZ-UHFFFAOYSA-N 0 0 293.826 2.988 20 10 CFCDRN COc1ccc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)cc1C ZINC000854245210 635271797 /nfs/dbraw/zinc/27/17/97/635271797.db2.gz GFPYVBLKZHWKEG-AWEZNQCLSA-N 0 0 277.364 2.594 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2ccccn2)C1 ZINC000854641550 635354722 /nfs/dbraw/zinc/35/47/22/635354722.db2.gz HISPLSHWAZVLPQ-NSHDSACASA-N 0 0 288.372 2.869 20 10 CFCDRN C[C@H]1CCC(C)(C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854898017 635417204 /nfs/dbraw/zinc/41/72/04/635417204.db2.gz MYQSIBDXNMDSDM-ZRQQLDRUSA-N 0 0 275.348 2.901 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)C=C3CCC3)C2)cc1 ZINC000855234294 635489774 /nfs/dbraw/zinc/48/97/74/635489774.db2.gz WTYHNYPAMLACJQ-CQSZACIVSA-N 0 0 286.375 2.500 20 10 CFCDRN CC/C=C(/C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229752 635489974 /nfs/dbraw/zinc/48/99/74/635489974.db2.gz LVZVDECDRUMUFR-UUSOHVMFSA-N 0 0 288.391 2.746 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)C3(C)CCC3)C2)cc1 ZINC000855231793 635490123 /nfs/dbraw/zinc/49/01/23/635490123.db2.gz OEYUALCBYPEBSX-ZDUSSCGKSA-N 0 0 288.391 2.580 20 10 CFCDRN C/C=C/C=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855235098 635491396 /nfs/dbraw/zinc/49/13/96/635491396.db2.gz XBQJFWBQDUHYJD-CXJHOULESA-N 0 0 286.375 2.522 20 10 CFCDRN Cc1cc(C(=O)NC/C=C\CO)c(C)n1-c1cccc(C)c1 ZINC000855401331 635533693 /nfs/dbraw/zinc/53/36/93/635533693.db2.gz JQLUJKBXMSWBCV-PLNGDYQASA-N 0 0 298.386 2.681 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000113418769 635572896 /nfs/dbraw/zinc/57/28/96/635572896.db2.gz OOPLJKLOXLPQME-XJKSGUPXSA-N 0 0 291.391 2.946 20 10 CFCDRN CC[C@@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000855742479 635633805 /nfs/dbraw/zinc/63/38/05/635633805.db2.gz SEWGMSKHIDIUQK-MRXNPFEDSA-N 0 0 286.375 2.595 20 10 CFCDRN CN(C[C@@H]1CC1(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856458248 635815248 /nfs/dbraw/zinc/81/52/48/635815248.db2.gz IIRYWLYOWGKTNT-PZBABLGHSA-N 0 0 275.348 2.616 20 10 CFCDRN CCC[C@H](C)CC(=O)NCc1cc(OC)ccc1O ZINC000114540982 635836968 /nfs/dbraw/zinc/83/69/68/635836968.db2.gz INZMZBJYLPJFIY-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2ccc(C)cc2)c1 ZINC000114543704 635838554 /nfs/dbraw/zinc/83/85/54/635838554.db2.gz WYSLHUJJXQRGSC-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccc(C)c2C)c1 ZINC000114544247 635838594 /nfs/dbraw/zinc/83/85/94/635838594.db2.gz AICJVOCQSSSSPK-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(F)ccc2F)c1 ZINC000114544199 635839000 /nfs/dbraw/zinc/83/90/00/635839000.db2.gz PUXCQVXEHVCCGB-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC2CCCCC2)c1 ZINC000114581194 635847944 /nfs/dbraw/zinc/84/79/44/635847944.db2.gz MDLRCLMTLWMUDT-UHFFFAOYSA-N 0 0 278.352 2.533 20 10 CFCDRN CCC[C@@H](CC)NC(=O)NCc1cc(OC)ccc1O ZINC000114592620 635848469 /nfs/dbraw/zinc/84/84/69/635848469.db2.gz HJLAHZVZYJYTER-GFCCVEGCSA-N 0 0 280.368 2.779 20 10 CFCDRN CCOc1ccc(N(C)Cc2nccnc2C)cc1 ZINC000857037086 635913299 /nfs/dbraw/zinc/91/32/99/635913299.db2.gz NENLWHPLPVNBBJ-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](C2CCC2)C1 ZINC000857332847 635966734 /nfs/dbraw/zinc/96/67/34/635966734.db2.gz IVXZHQIHZBLGGV-LLVKDONJSA-N 0 0 293.338 2.889 20 10 CFCDRN CCCSCC(=O)NCc1ccc(N(C)C)cc1C ZINC000115279753 635981680 /nfs/dbraw/zinc/98/16/80/635981680.db2.gz AZBZGEKWQDYXEY-UHFFFAOYSA-N 0 0 280.437 2.820 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccnc1 ZINC000115279946 635982034 /nfs/dbraw/zinc/98/20/34/635982034.db2.gz UYRLMWFNOVHRML-RMKNXTFCSA-N 0 0 295.386 2.786 20 10 CFCDRN Cc1ncccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547693 635983719 /nfs/dbraw/zinc/98/37/19/635983719.db2.gz PUXKAAVWJNNHJW-UHFFFAOYSA-N 0 0 276.723 2.679 20 10 CFCDRN COc1cccc(NC(=O)CSc2nccs2)c1 ZINC000047238774 650228663 /nfs/dbraw/zinc/22/86/63/650228663.db2.gz LNDPVDRUOSAEHP-UHFFFAOYSA-N 0 0 280.374 2.883 20 10 CFCDRN O=C1NC(=S)S/C1=C/C=C/c1ccc(F)cc1 ZINC000158674472 650233157 /nfs/dbraw/zinc/23/31/57/650233157.db2.gz LDRZKOCUACZNRT-XZMAOYBGSA-N 0 0 265.334 2.871 20 10 CFCDRN CCCCCNC(=O)NCc1cc(C)ccc1O ZINC000858099851 636125164 /nfs/dbraw/zinc/12/51/64/636125164.db2.gz AHTCQNSTTRDOJO-UHFFFAOYSA-N 0 0 250.342 2.690 20 10 CFCDRN CCNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858104572 636126607 /nfs/dbraw/zinc/12/66/07/636126607.db2.gz PJFNJIAWXWSGIG-UHFFFAOYSA-N 0 0 284.359 2.585 20 10 CFCDRN CCC(CC)CNC(=O)NCc1cc(C)ccc1O ZINC000858196594 636153797 /nfs/dbraw/zinc/15/37/97/636153797.db2.gz UTZPELCIVMXTOG-UHFFFAOYSA-N 0 0 264.369 2.936 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C23CC(C2)C3)cc1 ZINC000858200094 636154086 /nfs/dbraw/zinc/15/40/86/636154086.db2.gz YHMBTJONPMGYLO-UHFFFAOYSA-N 0 0 258.365 2.511 20 10 CFCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1nccn1C ZINC000858195365 636154120 /nfs/dbraw/zinc/15/41/20/636154120.db2.gz UHMGQDSQJRDLGP-SNVBAGLBSA-N 0 0 294.349 2.615 20 10 CFCDRN Oc1ccc(Cl)cc1CNc1cnn(CCF)c1 ZINC000858246279 636162788 /nfs/dbraw/zinc/16/27/88/636162788.db2.gz ZMUUMXBHWUIGHD-UHFFFAOYSA-N 0 0 269.707 2.824 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000858333052 636193486 /nfs/dbraw/zinc/19/34/86/636193486.db2.gz UFIFCCRVGLHGJC-GFCCVEGCSA-N 0 0 276.336 2.970 20 10 CFCDRN CC(C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047617465 650239049 /nfs/dbraw/zinc/23/90/49/650239049.db2.gz DVCWQDOGZDXCOS-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(Cl)nc(=O)[nH]1 ZINC000858451609 636247380 /nfs/dbraw/zinc/24/73/80/636247380.db2.gz VTPGHWLKWOPXRY-UHFFFAOYSA-N 0 0 293.754 2.958 20 10 CFCDRN C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000158951225 650242681 /nfs/dbraw/zinc/24/26/81/650242681.db2.gz XGHKKFBGMVCTSQ-VXGBXAGGSA-N 0 0 277.364 2.930 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCC(C)(F)F)c1 ZINC000858498313 636272952 /nfs/dbraw/zinc/27/29/52/636272952.db2.gz OFODHIVBPWUCNU-UHFFFAOYSA-N 0 0 272.295 2.545 20 10 CFCDRN CCC(F)(F)CN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000858506943 636277348 /nfs/dbraw/zinc/27/73/48/636277348.db2.gz KDDFOYZOAVCYOO-SECBINFHSA-N 0 0 287.306 2.875 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)CC(F)F)c1 ZINC000858571198 636296772 /nfs/dbraw/zinc/29/67/72/636296772.db2.gz ZYNKCXYGSAWBDN-SNVBAGLBSA-N 0 0 286.322 2.791 20 10 CFCDRN CC[C@@H](C)CCNC(=O)NCc1cc(C)ccc1O ZINC000858604547 636306467 /nfs/dbraw/zinc/30/64/67/636306467.db2.gz HSSWULBFBWUHDG-LLVKDONJSA-N 0 0 264.369 2.936 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000858612646 636308555 /nfs/dbraw/zinc/30/85/55/636308555.db2.gz NEVQHFJNDIURBZ-KCQAQPDRSA-N 0 0 288.391 2.936 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000858620205 636309614 /nfs/dbraw/zinc/30/96/14/636309614.db2.gz UPAMONDEOUMRAE-GFCCVEGCSA-N 0 0 298.333 2.791 20 10 CFCDRN CCC[C@@H](CNC(=O)NCc1cc(C)ccc1O)OCC ZINC000858682158 636324646 /nfs/dbraw/zinc/32/46/46/636324646.db2.gz JJFNKXOPSIFHHP-AWEZNQCLSA-N 0 0 294.395 2.705 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CC(C1)C2 ZINC000858826565 636350812 /nfs/dbraw/zinc/35/08/12/636350812.db2.gz LHUJOPMKAHJLCR-UHFFFAOYSA-N 0 0 272.392 2.901 20 10 CFCDRN CCCOC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000859057864 636430641 /nfs/dbraw/zinc/43/06/41/636430641.db2.gz RTHPTIWZIMMXEK-UHFFFAOYSA-N 0 0 296.342 2.503 20 10 CFCDRN CCO[C@@H](CN(C)c1ccc2c(c1)OCO2)C1CC1 ZINC000859205665 636501752 /nfs/dbraw/zinc/50/17/52/636501752.db2.gz BRDYMNIRSUCDGJ-HNNXBMFYSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000859594383 636616619 /nfs/dbraw/zinc/61/66/19/636616619.db2.gz YAORHNIQTQEJOH-AWEZNQCLSA-N 0 0 298.386 2.799 20 10 CFCDRN C[S@](=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000116919478 636658428 /nfs/dbraw/zinc/65/84/28/636658428.db2.gz GJGSTJUNVSBKQE-QGZVFWFLSA-N 0 0 296.219 2.557 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC(C)C ZINC000048644811 650274316 /nfs/dbraw/zinc/27/43/16/650274316.db2.gz PGBKLODYCNMXBT-UHFFFAOYSA-N 0 0 263.385 2.693 20 10 CFCDRN Cc1cccn2c(=O)cc(CSc3nccs3)nc12 ZINC000048874826 650282060 /nfs/dbraw/zinc/28/20/60/650282060.db2.gz IUVHICZWOKXJMO-UHFFFAOYSA-N 0 0 289.385 2.752 20 10 CFCDRN CN(C)c1ccc(CNC(=O)OCC(F)(F)F)cc1F ZINC000194636516 636795336 /nfs/dbraw/zinc/79/53/36/636795336.db2.gz XLOTXQPLNNZHNH-UHFFFAOYSA-N 0 0 294.248 2.680 20 10 CFCDRN CSCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000049388959 650294487 /nfs/dbraw/zinc/29/44/87/650294487.db2.gz ZHUSXLRLLPTIAS-UHFFFAOYSA-N 0 0 278.421 2.656 20 10 CFCDRN CCO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000860950952 637028522 /nfs/dbraw/zinc/02/85/22/637028522.db2.gz WLTHFNUFSLREHJ-LRDDRELGSA-N 0 0 290.407 2.745 20 10 CFCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)(F)F ZINC000862026228 637266107 /nfs/dbraw/zinc/26/61/07/637266107.db2.gz JBCFKKANBVPUFH-SECBINFHSA-N 0 0 294.301 2.848 20 10 CFCDRN CC(C)(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862028475 637266757 /nfs/dbraw/zinc/26/67/57/637266757.db2.gz AOVHEACQPQUVRM-UHFFFAOYSA-N 0 0 258.321 2.603 20 10 CFCDRN O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(O)c1O ZINC000188207594 650319451 /nfs/dbraw/zinc/31/94/51/650319451.db2.gz BZDMVKDDXVYGLJ-UHFFFAOYSA-N 0 0 295.298 2.536 20 10 CFCDRN Cc1ncc(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000862210553 637287420 /nfs/dbraw/zinc/28/74/20/637287420.db2.gz OUXKOKBQYKAPOL-UHFFFAOYSA-N 0 0 259.353 2.681 20 10 CFCDRN CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCOC1 ZINC000862222560 637290218 /nfs/dbraw/zinc/29/02/18/637290218.db2.gz DUPSCCWSNDRFKS-GFCCVEGCSA-N 0 0 298.377 2.889 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)CO1 ZINC000862223484 637291057 /nfs/dbraw/zinc/29/10/57/637291057.db2.gz QEEDUWROJACCDE-QWRGUYRKSA-N 0 0 284.350 2.640 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCOCC2(C)C)cc1F ZINC000862232456 637293559 /nfs/dbraw/zinc/29/35/59/637293559.db2.gz YNBJWNQXNZVPGQ-UHFFFAOYSA-N 0 0 284.350 2.642 20 10 CFCDRN CCCN(Cc1nc(C)c[nH]1)Cc1ccccc1O ZINC000862236749 637294718 /nfs/dbraw/zinc/29/47/18/637294718.db2.gz CUFKRFGCFULWQU-UHFFFAOYSA-N 0 0 259.353 2.836 20 10 CFCDRN C[C@@H]1[C@H](C)OCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862245120 637297422 /nfs/dbraw/zinc/29/74/22/637297422.db2.gz JMRBFHDDDYVHFE-MNOVXSKESA-N 0 0 284.350 2.640 20 10 CFCDRN C[C@@H]1COCCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862247491 637298154 /nfs/dbraw/zinc/29/81/54/637298154.db2.gz YJJKYRUHIYOPHD-LLVKDONJSA-N 0 0 284.350 2.642 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCC(F)(F)C2)cc1F ZINC000862294056 637315783 /nfs/dbraw/zinc/31/57/83/637315783.db2.gz WRFLUXXOMQVGMF-UHFFFAOYSA-N 0 0 276.277 2.872 20 10 CFCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000075417314 650328412 /nfs/dbraw/zinc/32/84/12/650328412.db2.gz NSQWKCRNLOMVSJ-UHFFFAOYSA-N 0 0 292.360 2.832 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)COCc2ccccc2C)c1 ZINC000862753093 637478091 /nfs/dbraw/zinc/47/80/91/637478091.db2.gz BGFLBXMTCIFACH-UHFFFAOYSA-N 0 0 299.370 2.842 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000862754137 637478692 /nfs/dbraw/zinc/47/86/92/637478692.db2.gz RZKTZOVVMZEBEB-CGTJXYLNSA-N 0 0 293.366 2.903 20 10 CFCDRN Cc1ncsc1CCC(=O)NCc1cc(C)ccc1O ZINC000862755151 637479451 /nfs/dbraw/zinc/47/94/51/637479451.db2.gz OLUYGUIOZJRQAL-UHFFFAOYSA-N 0 0 290.388 2.715 20 10 CFCDRN CC[C@H](CC(F)F)C(=O)NCc1cc(C)ccc1O ZINC000862754798 637479498 /nfs/dbraw/zinc/47/94/98/637479498.db2.gz KRGXRDGTPFDAGA-SNVBAGLBSA-N 0 0 271.307 2.998 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CSCCS2)c1 ZINC000862757823 637480590 /nfs/dbraw/zinc/48/05/90/637480590.db2.gz FMLOIZXJVFTYDS-GFCCVEGCSA-N 0 0 297.445 2.556 20 10 CFCDRN CC[C@H]1C[C@H](C(=O)NCc2cc(C)ccc2O)CCO1 ZINC000862757123 637480978 /nfs/dbraw/zinc/48/09/78/637480978.db2.gz ICPFDXZPUCZGOQ-OCCSQVGLSA-N 0 0 277.364 2.522 20 10 CFCDRN CCC[C@H]1C[C@@H](C(=O)NCc2cc(C)ccc2O)CCO1 ZINC000862757087 637481120 /nfs/dbraw/zinc/48/11/20/637481120.db2.gz HDUNTAREYWQSHM-ZFWWWQNUSA-N 0 0 291.391 2.912 20 10 CFCDRN COC1CCC(C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862756928 637481187 /nfs/dbraw/zinc/48/11/87/637481187.db2.gz AXLGEHVDVCEEMH-UHFFFAOYSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000862759847 637482067 /nfs/dbraw/zinc/48/20/67/637482067.db2.gz LZKIKDCHUNAKES-SECBINFHSA-N 0 0 274.147 2.511 20 10 CFCDRN Cc1cc(CNC(=O)C2(C)COC2)c(C)n1-c1ccccc1 ZINC000863166304 637577625 /nfs/dbraw/zinc/57/76/25/637577625.db2.gz XHBSXEUQSHSYHF-UHFFFAOYSA-N 0 0 298.386 2.747 20 10 CFCDRN CCO[C@@H](CSc1ncc(C(=O)OC)s1)C1CC1 ZINC000863341741 637630789 /nfs/dbraw/zinc/63/07/89/637630789.db2.gz VDFXVRKWMCOPBP-VIFPVBQESA-N 0 0 287.406 2.837 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1COC1 ZINC000863352398 637636804 /nfs/dbraw/zinc/63/68/04/637636804.db2.gz CRYZEHKBWGQLJE-UHFFFAOYSA-N 0 0 298.386 2.779 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC(C)(C)O1 ZINC000119515632 637683906 /nfs/dbraw/zinc/68/39/06/637683906.db2.gz LYTFUYWUVGIFLU-GFCCVEGCSA-N 0 0 280.387 2.891 20 10 CFCDRN CCN(C(=O)CN(C)c1ccc(N)cc1)C1CCCCC1 ZINC000863556602 637694229 /nfs/dbraw/zinc/69/42/29/637694229.db2.gz VKAYMQGTOYSBLW-UHFFFAOYSA-N 0 0 289.423 2.886 20 10 CFCDRN CN(Cc1ccc2c(c1)COC2)c1ccc(N)cc1 ZINC000863558582 637696284 /nfs/dbraw/zinc/69/62/84/637696284.db2.gz OATGUACYGBVTBZ-UHFFFAOYSA-N 0 0 254.333 2.935 20 10 CFCDRN Cc1c(-c2cc(CN(C)c3ccc(N)cc3)on2)cnn1C ZINC000863558747 637696332 /nfs/dbraw/zinc/69/63/32/637696332.db2.gz VHCOIXNTHLCHDQ-UHFFFAOYSA-N 0 0 297.362 2.602 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCC12CC2 ZINC000863776245 637773507 /nfs/dbraw/zinc/77/35/07/637773507.db2.gz VBOJDDQQZBNUJG-RYWCDNDXSA-N 0 0 287.359 2.808 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC12CC2 ZINC000863776243 637773784 /nfs/dbraw/zinc/77/37/84/637773784.db2.gz VBOJDDQQZBNUJG-BPJJOFIESA-N 0 0 287.359 2.808 20 10 CFCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)c(F)c1 ZINC000864042438 637839581 /nfs/dbraw/zinc/83/95/81/637839581.db2.gz MEHRDSLJIJOWDB-UHFFFAOYSA-N 0 0 291.278 2.881 20 10 CFCDRN O=C(NC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000864416019 637969898 /nfs/dbraw/zinc/96/98/98/637969898.db2.gz WDTOARMXDHRXOB-UHFFFAOYSA-N 0 0 260.337 2.750 20 10 CFCDRN Cc1nocc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000865031569 638166288 /nfs/dbraw/zinc/16/62/88/638166288.db2.gz PGOSUSOYBSOESG-UHFFFAOYSA-N 0 0 299.374 2.903 20 10 CFCDRN CCc1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865292227 638259990 /nfs/dbraw/zinc/25/99/90/638259990.db2.gz DMXXIJSVVGDWCT-UHFFFAOYSA-N 0 0 282.294 2.588 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000120509571 638275193 /nfs/dbraw/zinc/27/51/93/638275193.db2.gz DDHLJYWYVBRPLJ-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN COCC(C)(C)CSc1ncc(C(=O)OC)s1 ZINC000865369485 638289086 /nfs/dbraw/zinc/28/90/86/638289086.db2.gz YEEURYMYUWMOEC-UHFFFAOYSA-N 0 0 275.395 2.694 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)COCc1ccccc1 ZINC000077258305 650416547 /nfs/dbraw/zinc/41/65/47/650416547.db2.gz JRJXWZPUCXHLTN-UHFFFAOYSA-N 0 0 285.343 2.567 20 10 CFCDRN C[C@H](O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000865482825 638369399 /nfs/dbraw/zinc/36/93/99/638369399.db2.gz IQJHZPIDYWJQPP-NSHDSACASA-N 0 0 289.354 2.952 20 10 CFCDRN CCC[C@H](CCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000865662630 638496678 /nfs/dbraw/zinc/49/66/78/638496678.db2.gz CEDDFPZGKXRPGO-SECBINFHSA-N 0 0 275.751 2.825 20 10 CFCDRN Cc1cccc(CNC(=O)CSc2nccs2)c1 ZINC000077589918 650434729 /nfs/dbraw/zinc/43/47/29/650434729.db2.gz FMDQLVPGPUQTLJ-UHFFFAOYSA-N 0 0 278.402 2.860 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCC23CC3)cc1 ZINC000866033881 638705324 /nfs/dbraw/zinc/70/53/24/638705324.db2.gz HDQISSYZZGVONE-HNNXBMFYSA-N 0 0 287.407 2.885 20 10 CFCDRN CCCNc1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866118142 638745983 /nfs/dbraw/zinc/74/59/83/638745983.db2.gz XEYYYRTVZBEGAY-UHFFFAOYSA-N 0 0 270.336 2.524 20 10 CFCDRN Oc1cccc2c1CN(c1nccn3nc(C4CC4)cc13)C2 ZINC000866118034 638746605 /nfs/dbraw/zinc/74/66/05/638746605.db2.gz VGPVUNOJUPPUKI-UHFFFAOYSA-N 0 0 292.342 2.833 20 10 CFCDRN C[C@@H](NC(=O)c1nnc(C(C)(C)C)o1)c1ccccc1O ZINC000866161710 638760776 /nfs/dbraw/zinc/76/07/76/638760776.db2.gz UNOBEFPMKRUHOI-SECBINFHSA-N 0 0 289.335 2.564 20 10 CFCDRN COCCc1nsc(N[C@@H](C)c2ccccc2O)n1 ZINC000866239580 638777390 /nfs/dbraw/zinc/77/73/90/638777390.db2.gz VPMUUKONYNHDNH-VIFPVBQESA-N 0 0 279.365 2.606 20 10 CFCDRN COCc1nc(N[C@@H](C)c2ccccc2O)cc(OC)n1 ZINC000866240003 638777885 /nfs/dbraw/zinc/77/78/85/638777885.db2.gz ZHDRTWMFIDKZTM-JTQLQIEISA-N 0 0 289.335 2.510 20 10 CFCDRN CCC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866415414 638817590 /nfs/dbraw/zinc/81/75/90/638817590.db2.gz UKPVMSYTLMWAQM-GHMZBOCLSA-N 0 0 282.340 2.502 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866442826 638822052 /nfs/dbraw/zinc/82/20/52/638822052.db2.gz CGFYGBDYXVVJCZ-PRFIWBCESA-N 0 0 280.324 2.517 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866463998 638825627 /nfs/dbraw/zinc/82/56/27/638825627.db2.gz SNNMEVFNACUZLO-VIRWGQHYSA-N 0 0 295.276 2.884 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866464830 638825695 /nfs/dbraw/zinc/82/56/95/638825695.db2.gz YZVBBELONLDSJN-ZJXQECPTSA-N 0 0 299.239 2.633 20 10 CFCDRN O=C(NCc1ccccc1O)C1([C@H]2CCCCO2)CCC1 ZINC000866756539 638873990 /nfs/dbraw/zinc/87/39/90/638873990.db2.gz WQRWRTDEANCHIZ-OAHLLOKOSA-N 0 0 289.375 2.748 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1 ZINC000866765078 638874459 /nfs/dbraw/zinc/87/44/59/638874459.db2.gz QZRGGTFOFANYLI-KJMJJSJTSA-N 0 0 289.375 2.870 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000866767780 638874517 /nfs/dbraw/zinc/87/45/17/638874517.db2.gz XKVBYAZFCUXOTQ-MLGOLLRUSA-N 0 0 275.348 2.597 20 10 CFCDRN CCOC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867504061 638881734 /nfs/dbraw/zinc/88/17/34/638881734.db2.gz RSSIKNGWLVSOBM-LBPRGKRZSA-N 0 0 278.396 2.745 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)n2C2CC2)cc1F ZINC000121685107 638885739 /nfs/dbraw/zinc/88/57/39/638885739.db2.gz JNFQOBBGMJGEAL-UHFFFAOYSA-N 0 0 290.342 2.706 20 10 CFCDRN CCCOC(=O)[C@@H](C)N(C)c1ccc(OC)c(F)c1 ZINC000121710326 638886435 /nfs/dbraw/zinc/88/64/35/638886435.db2.gz YYTRJSHABNVPAW-SNVBAGLBSA-N 0 0 269.316 2.612 20 10 CFCDRN C[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccccc1O ZINC000868022002 638915969 /nfs/dbraw/zinc/91/59/69/638915969.db2.gz UXJJYWBXYOUSBO-JTQLQIEISA-N 0 0 274.364 2.941 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000868026953 638916375 /nfs/dbraw/zinc/91/63/75/638916375.db2.gz PABXQTQLSQZZKW-CHWSQXEVSA-N 0 0 298.308 2.825 20 10 CFCDRN C[C@@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868044739 638917868 /nfs/dbraw/zinc/91/78/68/638917868.db2.gz NEPIVMQUCUKKQM-RYUDHWBXSA-N 0 0 288.347 2.977 20 10 CFCDRN CC1(C)Cc2ccc(C(=O)NCc3ccc(N)cc3)cc2O1 ZINC000868062188 638919822 /nfs/dbraw/zinc/91/98/22/638919822.db2.gz PWXHZCVYWCDFKO-UHFFFAOYSA-N 0 0 296.370 2.912 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\COC ZINC000868109962 638923597 /nfs/dbraw/zinc/92/35/97/638923597.db2.gz OTPLXHYJUJSCJN-YFHOEESVSA-N 0 0 277.364 2.724 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncccc1N ZINC000868109916 638923642 /nfs/dbraw/zinc/92/36/42/638923642.db2.gz MYRQBDHWCGQGJZ-UHFFFAOYSA-N 0 0 299.374 2.812 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/COC ZINC000868109961 638923645 /nfs/dbraw/zinc/92/36/45/638923645.db2.gz OTPLXHYJUJSCJN-JXMROGBWSA-N 0 0 277.364 2.724 20 10 CFCDRN C[C@@H](NC(=O)NCCC(F)(F)F)c1ccccc1O ZINC000868324640 638937716 /nfs/dbraw/zinc/93/77/16/638937716.db2.gz BTUXABAANCFTOJ-MRVPVSSYSA-N 0 0 276.258 2.705 20 10 CFCDRN CSC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868327155 638938084 /nfs/dbraw/zinc/93/80/84/638938084.db2.gz TYYMYWLDUHEMHL-JTQLQIEISA-N 0 0 282.409 2.894 20 10 CFCDRN CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1(C)C ZINC000868347190 638939822 /nfs/dbraw/zinc/93/98/22/638939822.db2.gz CQLMWGGQMIUAFZ-ZLKJLUDKSA-N 0 0 292.379 2.566 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CCC1 ZINC000868440882 638945796 /nfs/dbraw/zinc/94/57/96/638945796.db2.gz OJSJJQPRXCWDNN-MNOVXSKESA-N 0 0 262.353 2.941 20 10 CFCDRN C[C@H](NC(=O)NCC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000868516017 638952099 /nfs/dbraw/zinc/95/20/99/638952099.db2.gz ZQHUZWAUADIXKY-NSHDSACASA-N 0 0 281.375 2.861 20 10 CFCDRN CCOC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868524814 638952702 /nfs/dbraw/zinc/95/27/02/638952702.db2.gz JSZCLASKCVIKLU-NSHDSACASA-N 0 0 280.368 2.568 20 10 CFCDRN CCc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122202573 638957676 /nfs/dbraw/zinc/95/76/76/638957676.db2.gz BWBNMMMVQRBDIK-UHFFFAOYSA-N 0 0 285.343 2.633 20 10 CFCDRN CCSCCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868581792 638958669 /nfs/dbraw/zinc/95/86/69/638958669.db2.gz UMSBEVMPGWITAV-NSHDSACASA-N 0 0 282.409 2.896 20 10 CFCDRN CCOCC(C)(C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868619993 638962829 /nfs/dbraw/zinc/96/28/29/638962829.db2.gz XBJUUQANORWQJN-GFCCVEGCSA-N 0 0 294.395 2.815 20 10 CFCDRN COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCC1 ZINC000868655901 638966279 /nfs/dbraw/zinc/96/62/79/638966279.db2.gz XRKCQRIDHPSXHB-GFCCVEGCSA-N 0 0 292.379 2.712 20 10 CFCDRN CC[C@@H](C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868664052 638967199 /nfs/dbraw/zinc/96/71/99/638967199.db2.gz VDNVJGPZPGHLCD-XUJVJEKNSA-N 0 0 294.395 2.814 20 10 CFCDRN CO[C@@H]([C@H](C)NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868681323 638968496 /nfs/dbraw/zinc/96/84/96/638968496.db2.gz GFBFMWDKPYFCQW-ZETOZRRWSA-N 0 0 292.379 2.566 20 10 CFCDRN CC[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868718569 638972673 /nfs/dbraw/zinc/97/26/73/638972673.db2.gz ZEGFASOXJDCWDK-JHJVBQTASA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1O ZINC000868741520 638974428 /nfs/dbraw/zinc/97/44/28/638974428.db2.gz QQAQJAHGMFMWSM-MROQNXINSA-N 0 0 274.364 2.941 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@H](C)O1)c1ccccc1O ZINC000868775897 638978418 /nfs/dbraw/zinc/97/84/18/638978418.db2.gz VKWGKKYDPXAOBM-YNEHKIRRSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000868812836 638981678 /nfs/dbraw/zinc/98/16/78/638981678.db2.gz MGXONEZLYRRWBX-BJIWRROBSA-N 0 0 292.379 2.564 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCC23CC3)c1 ZINC000868846601 638985527 /nfs/dbraw/zinc/98/55/27/638985527.db2.gz JGYWZZIVDAXPTP-CQSZACIVSA-N 0 0 274.364 2.833 20 10 CFCDRN CC/C=C(/F)C(=O)NCc1cc(Cl)ccc1O ZINC000869147262 639046999 /nfs/dbraw/zinc/04/69/99/639046999.db2.gz PBAUJIIDFUOYAJ-XCVCLJGOSA-N 0 0 257.692 2.925 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000869410225 639215106 /nfs/dbraw/zinc/21/51/06/639215106.db2.gz IAYZOWMLBHDPAA-CZUORRHYSA-N 0 0 259.349 2.897 20 10 CFCDRN Cc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2)cc1C ZINC000078751594 650529100 /nfs/dbraw/zinc/52/91/00/650529100.db2.gz CTLLQORJMSOKAK-OAHLLOKOSA-N 0 0 268.316 2.863 20 10 CFCDRN Cc1ccc([C@H](C)CNC(=O)c2cccc(O)c2O)cc1 ZINC000193081644 650621211 /nfs/dbraw/zinc/62/12/11/650621211.db2.gz UMODWPJTDNLBEX-GFCCVEGCSA-N 0 0 285.343 2.940 20 10 CFCDRN COc1cc(C)c(NC(=O)c2cccc(O)c2O)cc1F ZINC000193167913 650629791 /nfs/dbraw/zinc/62/97/91/650629791.db2.gz GMMVVEVQVJZGRY-UHFFFAOYSA-N 0 0 291.278 2.806 20 10 CFCDRN Cc1c(C#N)cccc1NC(=O)c1cccc(O)c1O ZINC000193141211 650626572 /nfs/dbraw/zinc/62/65/72/650626572.db2.gz SBNSXCLSEDYHRK-UHFFFAOYSA-N 0 0 268.272 2.530 20 10 CFCDRN C[C@@H](CC1CCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000871090792 641197847 /nfs/dbraw/zinc/19/78/47/641197847.db2.gz HPSQAPIYIQPUBC-JYKYSHPRSA-N 0 0 275.348 2.806 20 10 CFCDRN CCc1ccccc1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871198042 641239200 /nfs/dbraw/zinc/23/92/00/641239200.db2.gz FYHMJTXSOIGUOQ-UHFFFAOYSA-N 0 0 297.354 2.876 20 10 CFCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nn1C(C)(C)C ZINC000871200870 641242136 /nfs/dbraw/zinc/24/21/36/641242136.db2.gz LCTKUAMSIROFFZ-UHFFFAOYSA-N 0 0 299.374 2.808 20 10 CFCDRN C[C@@H]1CC[C@@H](CCC(=O)N2Cc3cccc(O)c3C2)O1 ZINC000871202616 641242180 /nfs/dbraw/zinc/24/21/80/641242180.db2.gz JUAAFZWXGYLEIP-YPMHNXCESA-N 0 0 275.348 2.582 20 10 CFCDRN O=C(CCCC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871203010 641242796 /nfs/dbraw/zinc/24/27/96/641242796.db2.gz JSYRTTYDKSRWRW-UHFFFAOYSA-N 0 0 273.254 2.967 20 10 CFCDRN O=C([C@H]1CCOc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871203402 641243045 /nfs/dbraw/zinc/24/30/45/641243045.db2.gz ZUTRWNJEYZVWCC-AWEZNQCLSA-N 0 0 295.338 2.801 20 10 CFCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204194 641243877 /nfs/dbraw/zinc/24/38/77/641243877.db2.gz AYQWLZUAQKELEX-GXTWGEPZSA-N 0 0 291.391 2.812 20 10 CFCDRN C[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)(F)F ZINC000871204705 641244077 /nfs/dbraw/zinc/24/40/77/641244077.db2.gz IEKDCJSJGJWPMR-MRVPVSSYSA-N 0 0 255.264 2.526 20 10 CFCDRN O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1Cc2cccc(O)c2C1 ZINC000871206258 641244707 /nfs/dbraw/zinc/24/47/07/641244707.db2.gz XMLQELQHJRMKEJ-LSDHHAIUSA-N 0 0 295.338 2.744 20 10 CFCDRN O=C([C@@H]1CCc2cccc(O)c21)N1Cc2cccc(O)c2C1 ZINC000871205827 641245428 /nfs/dbraw/zinc/24/54/28/641245428.db2.gz ZMDWXAMVKWDGBM-CYBMUJFWSA-N 0 0 295.338 2.670 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC000193419808 650652073 /nfs/dbraw/zinc/65/20/73/650652073.db2.gz JBOWHUMQXABALA-UHFFFAOYSA-N 0 0 294.358 2.747 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2C[C@H]3CCC[C@@H]3O2)s1 ZINC000871673380 641396157 /nfs/dbraw/zinc/39/61/57/641396157.db2.gz IOAXPZXFXBGITP-UTLUCORTSA-N 0 0 299.417 2.979 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2C[C@H]3CCC[C@H]3O2)s1 ZINC000871673378 641396317 /nfs/dbraw/zinc/39/63/17/641396317.db2.gz IOAXPZXFXBGITP-KXUCPTDWSA-N 0 0 299.417 2.979 20 10 CFCDRN CC(C)Nc1ccccc1NCc1nnn(C(C)(C)C)n1 ZINC000871845882 641478815 /nfs/dbraw/zinc/47/88/15/641478815.db2.gz LSDAQLKTIHBOGZ-UHFFFAOYSA-N 0 0 288.399 2.861 20 10 CFCDRN CC(C)Nc1ccccc1NCC(=O)N(C)CC1CC1 ZINC000871846086 641478868 /nfs/dbraw/zinc/47/88/68/641478868.db2.gz QGYBMOXMJHMDJS-UHFFFAOYSA-N 0 0 275.396 2.787 20 10 CFCDRN CCN1CC[C@@H](Nc2ccccc2NC(C)C)C1=O ZINC000871846132 641479203 /nfs/dbraw/zinc/47/92/03/641479203.db2.gz RYCCSPNJYBXAPV-CQSZACIVSA-N 0 0 261.369 2.540 20 10 CFCDRN CC[C@@H](C)NC(=O)CNc1ccccc1NC(C)C ZINC000871847286 641480021 /nfs/dbraw/zinc/48/00/21/641480021.db2.gz NSWMYQRUMUSFJH-GFCCVEGCSA-N 0 0 263.385 2.834 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000871876412 641494966 /nfs/dbraw/zinc/49/49/66/641494966.db2.gz YBSZOAJSARUTGI-XPKDYRNWSA-N 0 0 290.407 2.732 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1 ZINC000872030513 641560090 /nfs/dbraw/zinc/56/00/90/641560090.db2.gz GWVOHIDHWHOSPH-SMDDNHRTSA-N 0 0 294.351 2.595 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(F)cc(F)c1[O-] ZINC000872111722 641642655 /nfs/dbraw/zinc/64/26/55/641642655.db2.gz GCLSMHLZQYRWBE-NXEZZACHSA-N 0 0 299.317 2.664 20 10 CFCDRN Cc1nonc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000872134957 641663739 /nfs/dbraw/zinc/66/37/39/641663739.db2.gz AOJJCXNQHBPKOB-SSDOTTSWSA-N 0 0 267.716 2.588 20 10 CFCDRN Nc1ccc(CC(=O)NCc2ccccc2Cl)cc1 ZINC000019388428 641707701 /nfs/dbraw/zinc/70/77/01/641707701.db2.gz FFQKPFTVDIWBBP-UHFFFAOYSA-N 0 0 274.751 2.781 20 10 CFCDRN CCCN(Cc1csnn1)Cc1ccccc1O ZINC000124042992 641759294 /nfs/dbraw/zinc/75/92/94/641759294.db2.gz LIUAVQWRBSPNDG-UHFFFAOYSA-N 0 0 263.366 2.656 20 10 CFCDRN Cc1c(F)ncnc1NCCCSc1nccs1 ZINC000872454704 641815856 /nfs/dbraw/zinc/81/58/56/641815856.db2.gz XRDTUQSXXVVEST-UHFFFAOYSA-N 0 0 284.385 2.975 20 10 CFCDRN COc1ccc(CNc2cc(C)nc3c2cnn3C)c(O)c1 ZINC000872528530 641845438 /nfs/dbraw/zinc/84/54/38/641845438.db2.gz CDMGWRNXJGWDKH-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)Nc1cccc(F)c1 ZINC000080780656 650708861 /nfs/dbraw/zinc/70/88/61/650708861.db2.gz MMMBQCONXBALQR-UHFFFAOYSA-N 0 0 276.267 2.559 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccsc1 ZINC000193944709 650710963 /nfs/dbraw/zinc/71/09/63/650710963.db2.gz TXFDFKFBWJBWPC-UHFFFAOYSA-N 0 0 261.346 2.655 20 10 CFCDRN COCC(C)(C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000873120448 642018302 /nfs/dbraw/zinc/01/83/02/642018302.db2.gz ZRRYQHNZQONHKS-LBPRGKRZSA-N 0 0 294.395 2.815 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000873125634 642019746 /nfs/dbraw/zinc/01/97/46/642019746.db2.gz OUUZGEHMPOEOBG-VXGBXAGGSA-N 0 0 292.379 2.568 20 10 CFCDRN CCN(CC)c1ccc(CNc2cnccn2)cc1 ZINC000194065754 650715883 /nfs/dbraw/zinc/71/58/83/650715883.db2.gz AVJOFOHYNHSNGH-UHFFFAOYSA-N 0 0 256.353 2.935 20 10 CFCDRN COc1ccc2c(c1)CC[C@H]2C(=O)NCc1ccc(N)cc1 ZINC000873297993 642128573 /nfs/dbraw/zinc/12/85/73/642128573.db2.gz CWGZYCSEASPZDE-QGZVFWFLSA-N 0 0 296.370 2.624 20 10 CFCDRN O=C(COC(=O)C1CCC=CCC1)c1ccc(O)c(O)c1 ZINC000873429087 642200978 /nfs/dbraw/zinc/20/09/78/642200978.db2.gz PBDDNRCDGOLABZ-UHFFFAOYSA-N 0 0 290.315 2.570 20 10 CFCDRN O=C(Cc1ccncc1)NCc1ccc(N2CCCC2)cc1 ZINC000194955200 650734530 /nfs/dbraw/zinc/73/45/30/650734530.db2.gz QQDXTMJCFITNQM-UHFFFAOYSA-N 0 0 295.386 2.541 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(O)c1O ZINC000194983480 650735442 /nfs/dbraw/zinc/73/54/42/650735442.db2.gz ADPPRJXFQQSZMF-QWHCGFSZSA-N 0 0 287.290 2.523 20 10 CFCDRN CCOc1cc(NCCCSc2nccs2)ncn1 ZINC000124581418 642261309 /nfs/dbraw/zinc/26/13/09/642261309.db2.gz NHXUUDDDUKKHKU-UHFFFAOYSA-N 0 0 296.421 2.926 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC2CCSCC2)cc1 ZINC000125175944 642525107 /nfs/dbraw/zinc/52/51/07/642525107.db2.gz IKORVCKXVOSKOA-UHFFFAOYSA-N 0 0 292.448 2.902 20 10 CFCDRN CCCCOCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000874987292 642573736 /nfs/dbraw/zinc/57/37/36/642573736.db2.gz BIQWKQZSIMXVSS-UHFFFAOYSA-N 0 0 292.379 2.624 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000874988330 642573893 /nfs/dbraw/zinc/57/38/93/642573893.db2.gz SRWXRTIVJVBGKX-BXUZGUMPSA-N 0 0 274.364 2.996 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000875012917 642576502 /nfs/dbraw/zinc/57/65/02/642576502.db2.gz QRNCTXTWWBJMHQ-NSHDSACASA-N 0 0 283.331 2.574 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000125256966 642578292 /nfs/dbraw/zinc/57/82/92/642578292.db2.gz YRXXGBVGJBCIKJ-KGLIPLIRSA-N 0 0 289.423 2.940 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875102774 642584744 /nfs/dbraw/zinc/58/47/44/642584744.db2.gz ULOHGFATNOFJAN-WCQYABFASA-N 0 0 274.364 2.996 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875518833 642633989 /nfs/dbraw/zinc/63/39/89/642633989.db2.gz RERFZRJBCLAPHN-JQWIXIFHSA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1O ZINC000875543752 642640445 /nfs/dbraw/zinc/64/04/45/642640445.db2.gz PQAHNWALYKPYPC-SGESHTKJSA-N 0 0 260.337 2.551 20 10 CFCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)nc1 ZINC000875687310 642665835 /nfs/dbraw/zinc/66/58/35/642665835.db2.gz IJAVAMNGNHCIPR-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000875684958 642665843 /nfs/dbraw/zinc/66/58/43/642665843.db2.gz ZQVZKCDNIORGNC-YFKTTZPYSA-N 0 0 260.337 2.551 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC23CC3)c1O ZINC000875947202 642723889 /nfs/dbraw/zinc/72/38/89/642723889.db2.gz MICZGXPUSDNNFA-CYBMUJFWSA-N 0 0 290.363 2.533 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cnn(C)c1)c1ccccn1 ZINC000876084733 642770802 /nfs/dbraw/zinc/77/08/02/642770802.db2.gz QUAVNYRADHLEPF-CMDGGOBGSA-N 0 0 284.363 2.662 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(C)c(C)o2)c1 ZINC000125919067 642848138 /nfs/dbraw/zinc/84/81/38/642848138.db2.gz RTFZPZXEKZPBDE-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(Cl)nn1 ZINC000876515259 642901003 /nfs/dbraw/zinc/90/10/03/642901003.db2.gz ZLSXLKRTVCAEPK-UHFFFAOYSA-N 0 0 275.739 2.701 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccc(F)c1N ZINC000876514922 642901274 /nfs/dbraw/zinc/90/12/74/642901274.db2.gz VLVZZXAKZQIBHM-UHFFFAOYSA-N 0 0 272.323 2.979 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCOC1 ZINC000876597357 642939660 /nfs/dbraw/zinc/93/96/60/642939660.db2.gz XBKVKGAHFBMAFD-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN COCCN(Cc1ccc(C)cc1O)CC(F)(F)F ZINC000876651006 642959082 /nfs/dbraw/zinc/95/90/82/642959082.db2.gz MVBVAUBJKYKTAA-UHFFFAOYSA-N 0 0 277.286 2.711 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000876651098 642959138 /nfs/dbraw/zinc/95/91/38/642959138.db2.gz PCWRYMQKHBMRIR-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000876680712 642970466 /nfs/dbraw/zinc/97/04/66/642970466.db2.gz SQLLGWZGNDBBBE-GFCCVEGCSA-N 0 0 293.317 2.704 20 10 CFCDRN C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764875 643000062 /nfs/dbraw/zinc/00/00/62/643000062.db2.gz OSGCDYBLSBVHPO-JQWIXIFHSA-N 0 0 284.350 2.585 20 10 CFCDRN C[N@H+](CCOCC1CC1)Cc1ccc(F)c(F)c1[O-] ZINC000876784668 643006815 /nfs/dbraw/zinc/00/68/15/643006815.db2.gz JNRHLFHTCTZGEP-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN COc1ccc(NCc2c(C)cccc2O)cc1CO ZINC000876850334 643036612 /nfs/dbraw/zinc/03/66/12/643036612.db2.gz OUECDTBPARYHQP-UHFFFAOYSA-N 0 0 273.332 2.814 20 10 CFCDRN Cc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000876879334 643047294 /nfs/dbraw/zinc/04/72/94/643047294.db2.gz JODRJCNSFCHNCO-NSHDSACASA-N 0 0 265.353 2.520 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126220442 643054375 /nfs/dbraw/zinc/05/43/75/643054375.db2.gz CSNIJYYKOSTPSJ-UHFFFAOYSA-N 0 0 257.289 2.765 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc(F)c1F ZINC000088296382 650811020 /nfs/dbraw/zinc/81/10/20/650811020.db2.gz UPNCKSVJPXEACZ-UHFFFAOYSA-N 0 0 291.297 2.872 20 10 CFCDRN Cc1ccc(CNc2ccc(N3CCOCC3)cn2)c(O)c1 ZINC000876955472 643079052 /nfs/dbraw/zinc/07/90/52/643079052.db2.gz XHLFNCABUQPYBI-UHFFFAOYSA-N 0 0 299.374 2.544 20 10 CFCDRN CC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000126279355 643089363 /nfs/dbraw/zinc/08/93/63/643089363.db2.gz SCUVNCXVYPPBAB-UHFFFAOYSA-N 0 0 290.432 2.656 20 10 CFCDRN CCn1nc(C)c(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1C ZINC000877002897 643100189 /nfs/dbraw/zinc/10/01/89/643100189.db2.gz FWDMWRMPACYQDM-UHFFFAOYSA-N 0 0 295.333 2.793 20 10 CFCDRN Oc1cccc(Cl)c1CNCc1ncccc1F ZINC000126288852 643107540 /nfs/dbraw/zinc/10/75/40/643107540.db2.gz WYPUWNYYVBHAQR-UHFFFAOYSA-N 0 0 266.703 2.870 20 10 CFCDRN Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877027245 643109542 /nfs/dbraw/zinc/10/95/42/643109542.db2.gz MAKBKCZEYXVKES-AWEZNQCLSA-N 0 0 293.313 2.802 20 10 CFCDRN C[C@H](Cc1ccsc1)NC(=O)c1cccc(O)c1O ZINC000126303687 643111436 /nfs/dbraw/zinc/11/14/36/643111436.db2.gz CRRHKZPXXLEBPX-SECBINFHSA-N 0 0 277.345 2.520 20 10 CFCDRN CN(C(=O)c1scnc1C1CC1)c1ccc(N)cc1 ZINC000877075822 643137173 /nfs/dbraw/zinc/13/71/73/643137173.db2.gz ITLKDJHIFIVRRY-UHFFFAOYSA-N 0 0 273.361 2.879 20 10 CFCDRN CN(C(=O)Cc1ccc2c(c1)CCCO2)c1ccc(N)cc1 ZINC000877076111 643138399 /nfs/dbraw/zinc/13/83/99/643138399.db2.gz MEXSKIVZINGMPQ-UHFFFAOYSA-N 0 0 296.370 2.799 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000126346306 643153761 /nfs/dbraw/zinc/15/37/61/643153761.db2.gz VKBPLVAFCNIYFO-WDEREUQCSA-N 0 0 263.337 2.654 20 10 CFCDRN Cc1ccc(CNc2ccnn2CC2CC2)c(O)c1 ZINC000877105514 643154813 /nfs/dbraw/zinc/15/48/13/643154813.db2.gz LOJVFVRWAHBAEG-UHFFFAOYSA-N 0 0 257.337 2.919 20 10 CFCDRN Cc1cccc(O)c1CNc1cnn(CC2CC2)c1 ZINC000877122554 643162494 /nfs/dbraw/zinc/16/24/94/643162494.db2.gz YEVUANGUBVKOCU-UHFFFAOYSA-N 0 0 257.337 2.919 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc(F)c1F ZINC000877125785 643163726 /nfs/dbraw/zinc/16/37/26/643163726.db2.gz ACGSIJGBOLIMIT-KMUNFCNLSA-N 0 0 295.329 2.718 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc2c(c1)C(=O)N(C)CC2 ZINC000877159760 643182833 /nfs/dbraw/zinc/18/28/33/643182833.db2.gz KPLYJUKXGXTXKA-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN COc1cc(N(C)CCC[C@@H]2CCO2)cc(OC)c1OC ZINC000877179663 643191325 /nfs/dbraw/zinc/19/13/25/643191325.db2.gz FXZDYYZIEKDSPU-CYBMUJFWSA-N 0 0 295.379 2.718 20 10 CFCDRN CC[C@](C)(CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877180214 643191507 /nfs/dbraw/zinc/19/15/07/643191507.db2.gz REXMDUHSAUHPTL-MRXNPFEDSA-N 0 0 297.395 2.964 20 10 CFCDRN CC(C)CC[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126425113 643211328 /nfs/dbraw/zinc/21/13/28/643211328.db2.gz ZKTKFHHIJFXXKF-JTQLQIEISA-N 0 0 251.326 2.652 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1ccc(C)cc1O ZINC000877303159 643225923 /nfs/dbraw/zinc/22/59/23/643225923.db2.gz PZMUKANNPZXFDC-AWEZNQCLSA-N 0 0 277.364 2.522 20 10 CFCDRN C[N@H+](CCc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877319481 643236665 /nfs/dbraw/zinc/23/66/65/643236665.db2.gz XOQGGMKVLPUCSK-UHFFFAOYSA-N 0 0 278.302 2.740 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(Cl)nn2)cc1OC ZINC000877343221 643244512 /nfs/dbraw/zinc/24/45/12/643244512.db2.gz WDBFUBOERWAGGU-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN CCC(O)(CC)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877471530 643290878 /nfs/dbraw/zinc/29/08/78/643290878.db2.gz UNSDUOYTZVFHMC-UHFFFAOYSA-N 0 0 273.323 2.701 20 10 CFCDRN C[C@H]1CSCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877475557 643293370 /nfs/dbraw/zinc/29/33/70/643293370.db2.gz SPODRTBYKVPZRM-SECBINFHSA-N 0 0 273.348 2.855 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H](O)Cc2ccccc21 ZINC000877484927 643300499 /nfs/dbraw/zinc/30/04/99/643300499.db2.gz HZZBXEMSHFRHQO-AWEZNQCLSA-N 0 0 269.344 2.624 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@H](O)Cc2ccccc21 ZINC000877484928 643300799 /nfs/dbraw/zinc/30/07/99/643300799.db2.gz HZZBXEMSHFRHQO-CQSZACIVSA-N 0 0 269.344 2.624 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000089159927 650829032 /nfs/dbraw/zinc/82/90/32/650829032.db2.gz GPRFTUWKEQTCSP-QPUJVOFHSA-N 0 0 290.190 2.950 20 10 CFCDRN C[C@H](CO)[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CCC1 ZINC000877506145 643317128 /nfs/dbraw/zinc/31/71/28/643317128.db2.gz PRRBIFLAVAVWIK-SNVBAGLBSA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1cnn([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC000877541570 643343632 /nfs/dbraw/zinc/34/36/32/643343632.db2.gz GRIHTHOVSGCAGA-LBPRGKRZSA-N 0 0 293.317 2.622 20 10 CFCDRN CCc1noc(C)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877551261 643350758 /nfs/dbraw/zinc/35/07/58/643350758.db2.gz WOEIJTZXMJROEC-UHFFFAOYSA-N 0 0 282.290 2.819 20 10 CFCDRN CCN(CC)c1ccc(CNCc2cc(OC)no2)cc1 ZINC000877635159 643419182 /nfs/dbraw/zinc/41/91/82/643419182.db2.gz GOINRZFSLILSHQ-UHFFFAOYSA-N 0 0 289.379 2.819 20 10 CFCDRN Cc1ccc(CN2CCO[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639255 643424266 /nfs/dbraw/zinc/42/42/66/643424266.db2.gz DRECYSVPCNSJKX-GFCCVEGCSA-N 0 0 289.297 2.854 20 10 CFCDRN CCCN(C)CC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877639932 643424664 /nfs/dbraw/zinc/42/46/64/643424664.db2.gz GYUIVBAPLGEREK-UHFFFAOYSA-N 0 0 286.366 2.880 20 10 CFCDRN CCC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877668395 643444121 /nfs/dbraw/zinc/44/41/21/643444121.db2.gz YSOAOZFLGVZZBX-LLVKDONJSA-N 0 0 275.751 2.825 20 10 CFCDRN CCCOc1ccc(CNCc2ncc[nH]2)cc1C ZINC000877673217 643447679 /nfs/dbraw/zinc/44/76/79/643447679.db2.gz POQBFLOXPXTMMI-UHFFFAOYSA-N 0 0 259.353 2.797 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000877681721 643449890 /nfs/dbraw/zinc/44/98/90/643449890.db2.gz BAPYHKRHZQGFNB-WDEREUQCSA-N 0 0 298.314 2.679 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](C)O1 ZINC000877682909 643451339 /nfs/dbraw/zinc/45/13/39/643451339.db2.gz QWLKSTXVFMHDLT-RGNHYFCHSA-N 0 0 273.735 2.840 20 10 CFCDRN COCCOc1ccccc1CN1Cc2cccc(O)c2C1 ZINC000877702725 643467083 /nfs/dbraw/zinc/46/70/83/643467083.db2.gz FKFMVDVJBYWLBR-UHFFFAOYSA-N 0 0 299.370 2.933 20 10 CFCDRN Cn1ncc(C2CCC2)c1CN1Cc2cccc(O)c2C1 ZINC000877702752 643467101 /nfs/dbraw/zinc/46/71/01/643467101.db2.gz GFXOKNZXQIREAH-UHFFFAOYSA-N 0 0 283.375 2.909 20 10 CFCDRN CCCn1nccc1CN1Cc2cccc(O)c2C1 ZINC000877702979 643468673 /nfs/dbraw/zinc/46/86/73/643468673.db2.gz MYLUBNZBISVJJR-UHFFFAOYSA-N 0 0 257.337 2.515 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CN2CCC1CC2 ZINC000877706512 643473783 /nfs/dbraw/zinc/47/37/83/643473783.db2.gz NGYJXVUIRBVTKL-AWEZNQCLSA-N 0 0 298.789 2.711 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc(F)c1F ZINC000877737990 643501745 /nfs/dbraw/zinc/50/17/45/643501745.db2.gz MBDVXNRIKJFOIN-MNOVXSKESA-N 0 0 285.359 2.855 20 10 CFCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877795584 643561306 /nfs/dbraw/zinc/56/13/06/643561306.db2.gz OXZAFWYJGMZZLI-LLVKDONJSA-N 0 0 285.334 2.653 20 10 CFCDRN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877836469 643603352 /nfs/dbraw/zinc/60/33/52/643603352.db2.gz YCFXLIBWEBMYOS-JTQLQIEISA-N 0 0 287.762 2.778 20 10 CFCDRN O=C1N(c2ccccc2)[C@H](c2cc(F)ccc2O)NC12CC2 ZINC000877859232 643609568 /nfs/dbraw/zinc/60/95/68/643609568.db2.gz OIVLTHZKAWDZNS-OAHLLOKOSA-N 0 0 298.317 2.699 20 10 CFCDRN CCN(Cc1nccnc1C)c1ccc(OC)cc1 ZINC000878220007 643797350 /nfs/dbraw/zinc/79/73/50/643797350.db2.gz WHOOYUVRZIOWLB-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CCN(C[C@@H]1CCO[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000878218201 643797562 /nfs/dbraw/zinc/79/75/62/643797562.db2.gz KLIMKWQKARAQBR-STQMWFEESA-N 0 0 279.380 2.955 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H](C)O1 ZINC000246397616 650867179 /nfs/dbraw/zinc/86/71/79/650867179.db2.gz HSCZNWVMMGZJLN-OCCSQVGLSA-N 0 0 279.380 2.709 20 10 CFCDRN Cc1coc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000878535544 643932394 /nfs/dbraw/zinc/93/23/94/643932394.db2.gz WRVTYGXFVPGYLW-UHFFFAOYSA-N 0 0 284.359 2.900 20 10 CFCDRN COc1ccc(N(CC2CC2)C[C@@H]2CCc3ncnn32)cc1 ZINC000878675420 643987441 /nfs/dbraw/zinc/98/74/41/643987441.db2.gz PBMLUBHGRHMEGG-HNNXBMFYSA-N 0 0 298.390 2.691 20 10 CFCDRN CCc1nn(C)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC000879101868 644144218 /nfs/dbraw/zinc/14/42/18/644144218.db2.gz HGGCPHBKYVJCRJ-SNVBAGLBSA-N 0 0 288.351 2.571 20 10 CFCDRN CCCn1cc(CN2CCc3cc(OC)ccc32)cn1 ZINC000127702255 644248594 /nfs/dbraw/zinc/24/85/94/644248594.db2.gz RNUCTZJAVVCPMT-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN CCO[C@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648549 644362911 /nfs/dbraw/zinc/36/29/11/644362911.db2.gz SYFDEQLPEPYWNY-GHMZBOCLSA-N 0 0 291.351 2.724 20 10 CFCDRN C[C@H](NCc1nnsc1Cl)c1ccccc1O ZINC000879653555 644366144 /nfs/dbraw/zinc/36/61/44/644366144.db2.gz SDFOZEQKOCBCAU-ZETCQYMHSA-N 0 0 269.757 2.748 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000128591154 644818050 /nfs/dbraw/zinc/81/80/50/644818050.db2.gz FCPYXVKFTTYBNE-LBPRGKRZSA-N 0 0 275.396 2.740 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(F)cc1[O-] ZINC000094798033 650963868 /nfs/dbraw/zinc/96/38/68/650963868.db2.gz XKTFFKPGERRGLN-YGRLFVJLSA-N 0 0 253.317 2.751 20 10 CFCDRN C/C=C\c1cn(Cc2ccc(N(C)CC)cc2)nn1 ZINC000881313965 644949964 /nfs/dbraw/zinc/94/99/64/644949964.db2.gz WXVOVRYJZAFGEV-XQRVVYSFSA-N 0 0 256.353 2.816 20 10 CFCDRN CC1(Cn2cc(COc3ccc(N)cc3)nn2)CCC1 ZINC000881325290 644953884 /nfs/dbraw/zinc/95/38/84/644953884.db2.gz PCZJCGDAIHSGJH-UHFFFAOYSA-N 0 0 272.352 2.630 20 10 CFCDRN COc1ccc(O)c(CNc2cc(C3CC3)ncn2)c1 ZINC000881984302 645168426 /nfs/dbraw/zinc/16/84/26/645168426.db2.gz KQZIZJZPUPDERH-UHFFFAOYSA-N 0 0 271.320 2.680 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3ncncc3C)C2)cc1 ZINC000882480206 645335519 /nfs/dbraw/zinc/33/55/19/645335519.db2.gz PIEDIDLKYHCHJJ-AWEZNQCLSA-N 0 0 298.390 2.732 20 10 CFCDRN COc1cc(NS(=O)(=O)CCC2CCCC2)ccc1O ZINC000882722448 645432291 /nfs/dbraw/zinc/43/22/91/645432291.db2.gz QGPJKTBLKHKKPX-UHFFFAOYSA-N 0 0 299.392 2.723 20 10 CFCDRN C[C@H]1CCCCN1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882891203 645494968 /nfs/dbraw/zinc/49/49/68/645494968.db2.gz QIRIZCODFDDRJR-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882993861 645550181 /nfs/dbraw/zinc/55/01/81/645550181.db2.gz JSZZSUNEGRKLFX-YMTOWFKASA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000883026375 645568520 /nfs/dbraw/zinc/56/85/20/645568520.db2.gz QSURFDCIADJDQX-LBPRGKRZSA-N 0 0 273.323 2.821 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC[C@H]1O ZINC000883027403 645569418 /nfs/dbraw/zinc/56/94/18/645569418.db2.gz AEMUYWJQGPVSLF-UKRRQHHQSA-N 0 0 285.334 2.701 20 10 CFCDRN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883078731 645594749 /nfs/dbraw/zinc/59/47/49/645594749.db2.gz BCTPKLKIQSDYQJ-ZANVPECISA-N 0 0 297.301 2.865 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCC2CCC2)c1 ZINC000130972461 645603336 /nfs/dbraw/zinc/60/33/36/645603336.db2.gz OBFDCBQXZXFXOO-NSHDSACASA-N 0 0 292.379 2.951 20 10 CFCDRN COc1cccc(CNC(=O)[C@H](C)c2ccsc2)c1O ZINC000131032100 645611188 /nfs/dbraw/zinc/61/11/88/645611188.db2.gz YLRHSBJEIZLIMV-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152704 645629136 /nfs/dbraw/zinc/62/91/36/645629136.db2.gz DYTBZPPBPPPLEU-CABZTGNLSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]C1CC=CC1 ZINC000131171170 645648227 /nfs/dbraw/zinc/64/82/27/645648227.db2.gz NVXYABQAGYHKHA-UHFFFAOYSA-N 0 0 268.154 2.963 20 10 CFCDRN CCn1ncc(NCc2cc(F)cc(F)c2O)c1C ZINC000883203852 645661190 /nfs/dbraw/zinc/66/11/90/645661190.db2.gz MSFXNNHAFLGRHC-UHFFFAOYSA-N 0 0 267.279 2.807 20 10 CFCDRN CC1(C)C[C@]1(C)CNC(=O)NCc1ccccc1O ZINC000883250263 645698677 /nfs/dbraw/zinc/69/86/77/645698677.db2.gz KYDNWCXXHWBFLE-OAHLLOKOSA-N 0 0 262.353 2.628 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000131449978 645727967 /nfs/dbraw/zinc/72/79/67/645727967.db2.gz YVFOHJMQFBXISH-LLVKDONJSA-N 0 0 293.386 2.880 20 10 CFCDRN C[C@@H](NC(=O)N1CC[C@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582681 645898546 /nfs/dbraw/zinc/89/85/46/645898546.db2.gz ZQMLELXTQYDNHQ-CHWSQXEVSA-N 0 0 293.386 2.815 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(C)C ZINC000883890035 646024288 /nfs/dbraw/zinc/02/42/88/646024288.db2.gz ZJSLVBXDXVSEMC-INIZCTEOSA-N 0 0 276.380 2.970 20 10 CFCDRN O=C(OC[C@H](F)C(F)(F)F)C1=CC(=O)CS1 ZINC000800164616 646164526 /nfs/dbraw/zinc/16/45/26/646164526.db2.gz AFSHMTGFCMEHRF-LURJTMIESA-N 0 0 258.192 2.511 20 10 CFCDRN Cc1oc(C)c(C(=O)NCc2ccccc2O)c1C ZINC000133760677 646221760 /nfs/dbraw/zinc/22/17/60/646221760.db2.gz DZXGPLMZDOOLOJ-UHFFFAOYSA-N 0 0 259.305 2.840 20 10 CFCDRN CCOc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000133781589 646228014 /nfs/dbraw/zinc/22/80/14/646228014.db2.gz ALBPRLVHNCYVEN-UHFFFAOYSA-N 0 0 271.316 2.721 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(Cl)c(Cl)[nH]1 ZINC000133943511 646256478 /nfs/dbraw/zinc/25/64/78/646256478.db2.gz OUHWFWAEUJEQNX-UHFFFAOYSA-N 0 0 285.130 2.957 20 10 CFCDRN CCc1cccc(CC(=O)NCc2cc(OC)ccc2O)c1 ZINC000134202752 646304524 /nfs/dbraw/zinc/30/45/24/646304524.db2.gz AGXJZHWJKNAJPI-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN Cc1nc(C(C)C)ncc1C(=O)N(C)c1ccc(N)cc1 ZINC000884441632 646360791 /nfs/dbraw/zinc/36/07/91/646360791.db2.gz MKRZNEAZUYBQPV-UHFFFAOYSA-N 0 0 284.363 2.767 20 10 CFCDRN C[C@H]1C[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000136402517 646786925 /nfs/dbraw/zinc/78/69/25/646786925.db2.gz IRDAPLSEUSHHEW-WPRPVWTQSA-N 0 0 270.170 2.900 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1ccco1 ZINC000136947878 646870595 /nfs/dbraw/zinc/87/05/95/646870595.db2.gz TUGHGDAHAKQDSC-CMDGGOBGSA-N 0 0 257.289 2.657 20 10 CFCDRN C[C@@H]([NH2+]CCCCn1ccnc1)c1c([O-])cccc1F ZINC000886508512 647023154 /nfs/dbraw/zinc/02/31/54/647023154.db2.gz BYDKFOUZCMIZOA-GFCCVEGCSA-N 0 0 277.343 2.859 20 10 CFCDRN C[C@@H](NCc1nccs1)c1c(O)cccc1F ZINC000886508972 647023497 /nfs/dbraw/zinc/02/34/97/647023497.db2.gz VREAWFMFYVJREJ-MRVPVSSYSA-N 0 0 252.314 2.839 20 10 CFCDRN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1c([O-])cccc1F ZINC000886524698 647029094 /nfs/dbraw/zinc/02/90/94/647029094.db2.gz PCEAZXNEBFRWIS-GFCCVEGCSA-N 0 0 294.370 2.585 20 10 CFCDRN C[C@H]([NH2+]CCCN1CCCCC1=O)c1c([O-])cccc1F ZINC000886524699 647029375 /nfs/dbraw/zinc/02/93/75/647029375.db2.gz PCEAZXNEBFRWIS-LBPRGKRZSA-N 0 0 294.370 2.585 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000886532279 647032445 /nfs/dbraw/zinc/03/24/45/647032445.db2.gz GTXQPCHDLWVCRC-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1c([O-])cccc1F ZINC000886531085 647032642 /nfs/dbraw/zinc/03/26/42/647032642.db2.gz WJHKUPMYWQHZMA-UNNXFLIFSA-N 0 0 279.355 2.995 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532589 647033272 /nfs/dbraw/zinc/03/32/72/647033272.db2.gz LQQHQPIFNPMGSU-CMPLNLGQSA-N 0 0 255.333 2.589 20 10 CFCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534939 647034301 /nfs/dbraw/zinc/03/43/01/647034301.db2.gz RSAFCDAPZWALSM-VXGBXAGGSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886536334 647034987 /nfs/dbraw/zinc/03/49/87/647034987.db2.gz FXZCANFBLWJLCG-TZMCWYRMSA-N 0 0 289.350 2.958 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1c([O-])cccc1F ZINC000886538382 647036448 /nfs/dbraw/zinc/03/64/48/647036448.db2.gz HDQYFPAAGOWLLL-WOPDTQHZSA-N 0 0 278.371 2.807 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886538419 647036677 /nfs/dbraw/zinc/03/66/77/647036677.db2.gz HMFGAWXBLWCZPX-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1c([O-])cccc1F ZINC000886561806 647047902 /nfs/dbraw/zinc/04/79/02/647047902.db2.gz JRHJPOAHKVXBQV-QWRGUYRKSA-N 0 0 253.317 2.751 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561980 647048156 /nfs/dbraw/zinc/04/81/56/647048156.db2.gz NWZYITCZQXIEJU-UHIISALHSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1c([O-])cccc1F ZINC000886605238 647063488 /nfs/dbraw/zinc/06/34/88/647063488.db2.gz MDMZXCFJLRHTNK-PWSUYJOCSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1c([O-])cccc1F ZINC000886612416 647067511 /nfs/dbraw/zinc/06/75/11/647067511.db2.gz KTAMZGCWUFQODO-ZWNOBZJWSA-N 0 0 267.344 2.733 20 10 CFCDRN CCC[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886616004 647068883 /nfs/dbraw/zinc/06/88/83/647068883.db2.gz SKMBVIYIMWZASV-QWRGUYRKSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H](O)C(F)F ZINC000886617213 647069840 /nfs/dbraw/zinc/06/98/40/647069840.db2.gz GUTZZOFUNUHYBF-VFWDIBGWSA-N 0 0 277.286 2.587 20 10 CFCDRN C[C@@H](NCc1nn(C)cc1Cl)c1c(O)cccc1F ZINC000886618936 647071594 /nfs/dbraw/zinc/07/15/94/647071594.db2.gz OZEFSDWPARRGSX-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)COC1 ZINC000886620874 647072724 /nfs/dbraw/zinc/07/27/24/647072724.db2.gz VRTZGHPYXVGNPY-SNVBAGLBSA-N 0 0 253.317 2.609 20 10 CFCDRN COC1([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886628702 647076206 /nfs/dbraw/zinc/07/62/06/647076206.db2.gz ZXWWKUQDVNQVHU-RYUDHWBXSA-N 0 0 297.370 2.766 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886636251 647080835 /nfs/dbraw/zinc/08/08/35/647080835.db2.gz JFLONOVCNFQHPG-RISCZKNCSA-N 0 0 297.370 2.624 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886636252 647080990 /nfs/dbraw/zinc/08/09/90/647080990.db2.gz JFLONOVCNFQHPG-SMDDNHRTSA-N 0 0 297.370 2.624 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886641143 647083411 /nfs/dbraw/zinc/08/34/11/647083411.db2.gz ANNUBBCSIOEIJS-BHYNMZESSA-N 0 0 253.317 2.749 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886644485 647084601 /nfs/dbraw/zinc/08/46/01/647084601.db2.gz DQDXFVKKFZHYMV-MXWKQRLJSA-N 0 0 253.317 2.607 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886649582 647088316 /nfs/dbraw/zinc/08/83/16/647088316.db2.gz DQDXFVKKFZHYMV-DCAQKATOSA-N 0 0 253.317 2.607 20 10 CFCDRN CCOC1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000220933517 647166714 /nfs/dbraw/zinc/16/67/14/647166714.db2.gz GWJFXIBVRJIQGK-UHFFFAOYSA-N 0 0 255.745 2.703 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](CO)C2)cc1 ZINC000886901806 647171416 /nfs/dbraw/zinc/17/14/16/647171416.db2.gz OHQHOTKSIOUISX-KOMQPUFPSA-N 0 0 298.386 2.595 20 10 CFCDRN Nc1ccc(CNC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000886920992 647175709 /nfs/dbraw/zinc/17/57/09/647175709.db2.gz SYRWGOVVNSPWKE-HNNXBMFYSA-N 0 0 288.391 2.624 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CC2 ZINC000221791820 647218009 /nfs/dbraw/zinc/21/80/09/647218009.db2.gz GIECQXUFNWUCOI-ALCCZGGFSA-N 0 0 264.328 2.993 20 10 CFCDRN CCN1C(=O)/C(=C/c2cc(C)co2)SC1=S ZINC000887273820 647258483 /nfs/dbraw/zinc/25/84/83/647258483.db2.gz BWSJBIICGAAWAG-UITAMQMPSA-N 0 0 253.348 2.809 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927016604 648684668 /nfs/dbraw/zinc/68/46/68/648684668.db2.gz IYJROKBHFWUNCZ-JQWIXIFHSA-N 0 0 282.340 2.502 20 10 CFCDRN CCOCCOCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000927084640 648704282 /nfs/dbraw/zinc/70/42/82/648704282.db2.gz ASQBKEHRJODXRX-AWEZNQCLSA-N 0 0 285.359 2.625 20 10 CFCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCS1 ZINC000927253859 648745547 /nfs/dbraw/zinc/74/55/47/648745547.db2.gz QWGQCQYFOJKYQP-AAEUAGOBSA-N 0 0 294.420 2.818 20 10 CFCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)C1=CC(=O)CS1 ZINC000927404737 648768153 /nfs/dbraw/zinc/76/81/53/648768153.db2.gz BEXDVCFKFXOGPE-KOLCDFICSA-N 0 0 251.351 2.620 20 10 CFCDRN CC(C)(C)OC[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000928235069 648882225 /nfs/dbraw/zinc/88/22/25/648882225.db2.gz REBBDHONPQETKW-LLVKDONJSA-N 0 0 293.363 2.518 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1[nH]ccc1C1CC1 ZINC000928705010 648944215 /nfs/dbraw/zinc/94/42/15/648944215.db2.gz BYWSUWDVYNONJK-UHFFFAOYSA-N 0 0 274.295 2.667 20 10 CFCDRN CCC(C)(C)CC(=O)NCc1c(O)cccc1F ZINC000928706519 648944586 /nfs/dbraw/zinc/94/45/86/648944586.db2.gz VPRCATGCKRFGLE-UHFFFAOYSA-N 0 0 253.317 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000928705347 648944722 /nfs/dbraw/zinc/94/47/22/648944722.db2.gz HINNLNRJQIKYCV-NEPJUHHUSA-N 0 0 277.339 2.974 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F ZINC000928706534 648944874 /nfs/dbraw/zinc/94/48/74/648944874.db2.gz VYVFJCPOKVOKHT-NHYWBVRUSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCc2ccccc2C1 ZINC000928706042 648944909 /nfs/dbraw/zinc/94/49/09/648944909.db2.gz NZXMRIZPOFBHQL-CQSZACIVSA-N 0 0 299.345 2.953 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928706883 648945417 /nfs/dbraw/zinc/94/54/17/648945417.db2.gz YIZVBVVERUDPDZ-UHFFFAOYSA-N 0 0 251.301 2.584 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCC(F)(F)C1 ZINC000928707807 648945662 /nfs/dbraw/zinc/94/56/62/648945662.db2.gz IXIATCMUFZSHQZ-VIFPVBQESA-N 0 0 287.281 2.973 20 10 CFCDRN CCCCSCC(=O)NCc1c(O)cccc1F ZINC000928711177 648946569 /nfs/dbraw/zinc/94/65/69/648946569.db2.gz GHZVLNYKMQRRDY-UHFFFAOYSA-N 0 0 271.357 2.681 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)[C@@H]1CCCCO1 ZINC000928710676 648946596 /nfs/dbraw/zinc/94/65/96/648946596.db2.gz VQPZVTSELZIZCS-AWEZNQCLSA-N 0 0 295.354 2.743 20 10 CFCDRN CN(C)c1ccc(CN(Cc2nncs2)C2CC2)cc1 ZINC000929297972 649027841 /nfs/dbraw/zinc/02/78/41/649027841.db2.gz YXUFWAMQWPMHRB-UHFFFAOYSA-N 0 0 288.420 2.769 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cnn(C3CCC3)c2)cc1 ZINC000929405414 649045143 /nfs/dbraw/zinc/04/51/43/649045143.db2.gz OVSYFOLWXDQYFK-UHFFFAOYSA-N 0 0 298.390 2.604 20 10 CFCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1cn(C)cn1 ZINC000929675797 649093302 /nfs/dbraw/zinc/09/33/02/649093302.db2.gz JSUNJQSOBSREGO-VURMDHGXSA-N 0 0 281.359 2.721 20 10 CFCDRN CCn1cc(CN(c2ccc(OC)c(F)c2)C(C)C)nn1 ZINC000929950896 649154673 /nfs/dbraw/zinc/15/46/73/649154673.db2.gz NKAMWQFYCNZWCF-UHFFFAOYSA-N 0 0 292.358 2.861 20 10 CFCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc(C)cc1 ZINC000930066248 649177344 /nfs/dbraw/zinc/17/73/44/649177344.db2.gz CHJFNSLMMGQIIZ-YFHOEESVSA-N 0 0 269.348 2.795 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)/C=C\c2cn(C)cn2)c1 ZINC000930315347 649228942 /nfs/dbraw/zinc/22/89/42/649228942.db2.gz AKZHQRPPKBMYGN-WAYWQWQTSA-N 0 0 269.348 2.713 20 10 CFCDRN CC(C)n1ccc(NC(=O)NCc2c(O)cccc2F)n1 ZINC000931243707 649396103 /nfs/dbraw/zinc/39/61/03/649396103.db2.gz OJGHVHJCKXZJSC-UHFFFAOYSA-N 0 0 292.314 2.630 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)C[C@@H](C)O2 ZINC000934065183 649743521 /nfs/dbraw/zinc/74/35/21/649743521.db2.gz NHCKWSLHOMOWLM-VUDGCMKMSA-N 0 0 297.358 2.556 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnn1C1CC1 ZINC000934513553 649796479 /nfs/dbraw/zinc/79/64/79/649796479.db2.gz HJDFMLHRKMIIPH-UHFFFAOYSA-N 0 0 286.335 2.588 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000934704640 649817604 /nfs/dbraw/zinc/81/76/04/649817604.db2.gz CNYFFOVPIZZRQJ-HOCLYGCPSA-N 0 0 289.375 2.698 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1cn(C)cn1 ZINC000934706109 649818048 /nfs/dbraw/zinc/81/80/48/649818048.db2.gz DGYXGQANFXTTIS-HJWRWDBZSA-N 0 0 299.374 2.578 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC000934704781 649818085 /nfs/dbraw/zinc/81/80/85/649818085.db2.gz ILLHEWBQUJCZAE-WBVHZDCISA-N 0 0 289.375 2.700 20 10 CFCDRN Cc1ccc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000098074494 651066951 /nfs/dbraw/zinc/06/69/51/651066951.db2.gz YLKFDJPYJHBWRW-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN CCC[C@@](C)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000305807329 651082238 /nfs/dbraw/zinc/08/22/38/651082238.db2.gz ZQYMHCDMURCQNW-ZDUSSCGKSA-N 0 0 257.761 2.686 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000114541444 651237596 /nfs/dbraw/zinc/23/75/96/651237596.db2.gz QDDINEJUKLLJPU-JKSUJKDBSA-N 0 0 297.354 2.821 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000114541442 651237754 /nfs/dbraw/zinc/23/77/54/651237754.db2.gz QDDINEJUKLLJPU-CVEARBPZSA-N 0 0 297.354 2.821 20 10 CFCDRN Nc1ncccc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001243476938 782225840 /nfs/dbraw/zinc/22/58/40/782225840.db2.gz FSOYKKSWPMQANF-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnn(C(C)(C)C)c2)nn1 ZINC001243560126 782278336 /nfs/dbraw/zinc/27/83/36/782278336.db2.gz KBHNEIXOIOXGPA-UHFFFAOYSA-N 0 0 296.378 2.804 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn(C(C)(C)C)c1 ZINC001243558625 782278095 /nfs/dbraw/zinc/27/80/95/782278095.db2.gz BSTMTUWZOZDNMC-UHFFFAOYSA-N 0 0 255.325 2.587 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC000692961303 769911607 /nfs/dbraw/zinc/91/16/07/769911607.db2.gz AYBQKKKGFLKUHZ-HNNXBMFYSA-N 0 0 272.392 2.850 20 10 CFCDRN CO[C@@H](CNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000692985892 770017208 /nfs/dbraw/zinc/01/72/08/770017208.db2.gz LCWKXTDCSCHELX-AWEZNQCLSA-N 0 0 277.368 2.596 20 10 CFCDRN Nc1ccc(CC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000393357200 770053937 /nfs/dbraw/zinc/05/39/37/770053937.db2.gz ZWXOTXQWVKVZQD-UHFFFAOYSA-N 0 0 258.365 2.508 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c(NC3=CCOC3)cccc21 ZINC001203388571 770117396 /nfs/dbraw/zinc/11/73/96/770117396.db2.gz AQHBHRMRTFBXMT-UHFFFAOYSA-N 0 0 291.306 2.788 20 10 CFCDRN Cc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001167290477 770221038 /nfs/dbraw/zinc/22/10/38/770221038.db2.gz AQNTXZFOINPQCX-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc3[nH]cnc3c2F)c1 ZINC001167293941 770227113 /nfs/dbraw/zinc/22/71/13/770227113.db2.gz VQMNOWMZLCMNEK-UHFFFAOYSA-N 0 0 299.305 2.646 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2nccc(Cl)c2F)c1 ZINC001167293400 770227201 /nfs/dbraw/zinc/22/72/01/770227201.db2.gz BGCOBEIRRBUWPU-UHFFFAOYSA-N 0 0 294.713 2.818 20 10 CFCDRN CN(Cc1ncc2ccccn21)Cc1ccccc1O ZINC001207058350 770365010 /nfs/dbraw/zinc/36/50/10/770365010.db2.gz VJJCZWMLYBESAS-UHFFFAOYSA-N 0 0 267.332 2.672 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCc1ccccc1 ZINC000588403462 770531829 /nfs/dbraw/zinc/53/18/29/770531829.db2.gz KILQEWAKABFXJD-LUAWRHEFSA-N 0 0 297.354 2.860 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2occc21 ZINC000588403780 770532171 /nfs/dbraw/zinc/53/21/71/770532171.db2.gz ZHBAKKJQCZTIMX-SCXUMTSISA-N 0 0 299.326 2.898 20 10 CFCDRN Cc1c[nH]c(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000693479220 770702596 /nfs/dbraw/zinc/70/25/96/770702596.db2.gz PDLHBPHSBWTECI-GFCCVEGCSA-N 0 0 258.369 2.635 20 10 CFCDRN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(F)ccc1O ZINC000690725616 770779050 /nfs/dbraw/zinc/77/90/50/770779050.db2.gz GQCASPPLRUIJEI-QPUJVOFHSA-N 0 0 275.270 2.606 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOc1ccccc1 ZINC000708466702 775225186 /nfs/dbraw/zinc/22/51/86/775225186.db2.gz UMTZRFHKBDIOKR-UHFFFAOYSA-N 0 0 279.286 2.839 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000728594318 775285594 /nfs/dbraw/zinc/28/55/94/775285594.db2.gz PSWHFWFTNOYKSN-INIZCTEOSA-N 0 0 287.407 2.837 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CC2)cc1 ZINC000728594319 775286387 /nfs/dbraw/zinc/28/63/87/775286387.db2.gz PSWHFWFTNOYKSN-MRXNPFEDSA-N 0 0 287.407 2.837 20 10 CFCDRN CC(C)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001226379766 775797947 /nfs/dbraw/zinc/79/79/47/775797947.db2.gz ICDNPVAVHYZKOG-UHFFFAOYSA-N 0 0 282.295 2.955 20 10 CFCDRN CCC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)[C@@H](C)CC ZINC001226465123 775834424 /nfs/dbraw/zinc/83/44/24/775834424.db2.gz POQPVUCCAAKNAA-JGVFFNPUSA-N 0 0 286.324 2.808 20 10 CFCDRN CCC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)(C)C ZINC001226465097 775835142 /nfs/dbraw/zinc/83/51/42/775835142.db2.gz PKQZKCYEWVUZHQ-ZETCQYMHSA-N 0 0 286.324 2.808 20 10 CFCDRN CC[C@@H](C)C[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465969 775835367 /nfs/dbraw/zinc/83/53/67/775835367.db2.gz XUJIHWVVUZJJIX-SFYZADRCSA-N 0 0 286.324 2.808 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222259436 776053675 /nfs/dbraw/zinc/05/36/75/776053675.db2.gz PQNJIYCZQNNDED-HNNXBMFYSA-N 0 0 298.789 2.903 20 10 CFCDRN O=C1OCC[C@@H]1OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227487924 776215052 /nfs/dbraw/zinc/21/50/52/776215052.db2.gz BFAMMMINHDUDMI-HNAMICAMSA-N 0 0 299.286 2.897 20 10 CFCDRN COC(C[C@@H](C)Oc1ccc(N(C)C)cc1)OC ZINC001227938985 776335230 /nfs/dbraw/zinc/33/52/30/776335230.db2.gz HTPVERDYUFSNBU-LLVKDONJSA-N 0 0 253.342 2.529 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c(OC3CC3)ccc(O)c21 ZINC001228216761 776424665 /nfs/dbraw/zinc/42/46/65/776424665.db2.gz OOTMTRBPHBSFDK-UHFFFAOYSA-N 0 0 280.279 2.709 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722318282 776448945 /nfs/dbraw/zinc/44/89/45/776448945.db2.gz CNYIJYHVUHZOED-GXTWGEPZSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000094338689 776552139 /nfs/dbraw/zinc/55/21/39/776552139.db2.gz GDOKJUIHVSOZLY-PELKAZGASA-N 0 0 289.206 2.868 20 10 CFCDRN CC[N@H+](Cc1ccncc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231445903 777220737 /nfs/dbraw/zinc/22/07/37/777220737.db2.gz CKOYQCJPJODVBD-UHFFFAOYSA-N 0 0 286.331 2.508 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(O)c1 ZINC001231452838 777224083 /nfs/dbraw/zinc/22/40/83/777224083.db2.gz UZGYUWDVIBCDHS-HNNXBMFYSA-N 0 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275.751 2.778 20 10 CFCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799632 779181327 /nfs/dbraw/zinc/18/13/27/779181327.db2.gz SHSUEWOEUWLCEA-LDYMZIIASA-N 0 0 273.735 2.530 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC001237799616 779181334 /nfs/dbraw/zinc/18/13/34/779181334.db2.gz SGBSADKVHIFRJQ-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN C[N@H+](Cc1cncnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800791 779182344 /nfs/dbraw/zinc/18/23/44/779182344.db2.gz CDZZHUVKQBHXFE-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237804920 779183146 /nfs/dbraw/zinc/18/31/46/779183146.db2.gz HYBJUNMDDHPKRW-RTCCRHLQSA-N 0 0 273.710 2.832 20 10 CFCDRN C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1 ZINC001237806264 779183386 /nfs/dbraw/zinc/18/33/86/779183386.db2.gz SHABWIKAUDUWTJ-HNNXBMFYSA-N 0 0 298.789 2.712 20 10 CFCDRN C[C@H]1COCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237807509 779184233 /nfs/dbraw/zinc/18/42/33/779184233.db2.gz KWHPNBWFDVDAER-SECBINFHSA-N 0 0 273.735 2.653 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808669 779184295 /nfs/dbraw/zinc/18/42/95/779184295.db2.gz VSWKOCLJBUSXDN-LDYMZIIASA-N 0 0 273.735 2.530 20 10 CFCDRN C[NH+](C)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237810579 779185787 /nfs/dbraw/zinc/18/57/87/779185787.db2.gz QMGAYYVHFLHUFP-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@H]1O ZINC001237933655 779209609 /nfs/dbraw/zinc/20/96/09/779209609.db2.gz FMYQEZTUHLNHRB-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237933564 779210287 /nfs/dbraw/zinc/21/02/87/779210287.db2.gz CRPPRKDXPCTAIX-QOSJWCAFSA-N 0 0 273.710 2.975 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC2(C1)CCCCO2 ZINC001237935086 779210663 /nfs/dbraw/zinc/21/06/63/779210663.db2.gz QDJDTKYSVMSNSE-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN CC1(C)CN(Cc2cc(F)c(Cl)cc2O)CCO1 ZINC001237940047 779211748 /nfs/dbraw/zinc/21/17/48/779211748.db2.gz AQALGBVEYUJMDE-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[C@H]1COCCN1Cc1cc(F)c(Cl)cc1O ZINC001237949446 779214965 /nfs/dbraw/zinc/21/49/65/779214965.db2.gz LZCDBRLGYDIOHP-JTQLQIEISA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950716 779216462 /nfs/dbraw/zinc/21/64/62/779216462.db2.gz ZKRAJXFHPOODTK-WCBMZHEXSA-N 0 0 273.735 2.530 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c1O ZINC001238057814 779240811 /nfs/dbraw/zinc/24/08/11/779240811.db2.gz NVDKBYAEKBCRBO-BLLLJJGKSA-N 0 0 281.371 2.823 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001238057816 779241355 /nfs/dbraw/zinc/24/13/55/779241355.db2.gz NVDKBYAEKBCRBO-MLGOLLRUSA-N 0 0 281.371 2.823 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001238067311 779244393 /nfs/dbraw/zinc/24/43/93/779244393.db2.gz NTVBBVAIRSAGJT-CQSZACIVSA-N 0 0 295.354 2.567 20 10 CFCDRN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001238069350 779246098 /nfs/dbraw/zinc/24/60/98/779246098.db2.gz YJYOPKUDLOQOBY-YIONKMFJSA-N 0 0 279.355 2.982 20 10 CFCDRN CC[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001235768473 779373609 /nfs/dbraw/zinc/37/36/09/779373609.db2.gz GXNUUAMHMHCEAF-NSHDSACASA-N 0 0 289.206 2.883 20 10 CFCDRN CC1=C(C)C[C@@H](C(=O)NCc2cccc(O)c2O)CC1 ZINC001123977202 779520054 /nfs/dbraw/zinc/52/00/54/779520054.db2.gz BQYUBZVJDXGWPB-LBPRGKRZSA-N 0 0 275.348 2.851 20 10 CFCDRN COc1cncc(-c2nc(C)nc3c2ccn3C)c1C ZINC001236371853 779556329 /nfs/dbraw/zinc/55/63/29/779556329.db2.gz SZMURRMELBXTSU-UHFFFAOYSA-N 0 0 268.320 2.656 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC001236794761 779638754 /nfs/dbraw/zinc/63/87/54/779638754.db2.gz UNRBJYQVXLGTMN-SECBINFHSA-N 0 0 290.190 2.903 20 10 CFCDRN Cc1cnc(C)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001239905434 779854377 /nfs/dbraw/zinc/85/43/77/779854377.db2.gz ILCJORUKJVBQDT-UHFFFAOYSA-N 0 0 254.333 2.937 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2cnoc2)ncn1 ZINC001239172929 779903609 /nfs/dbraw/zinc/90/36/09/779903609.db2.gz XSWKMPRQXDISMB-UHFFFAOYSA-N 0 0 252.277 2.900 20 10 CFCDRN COc1ccc(-c2noc(-c3csnn3)n2)cc1Cl ZINC001212361829 779993087 /nfs/dbraw/zinc/99/30/87/779993087.db2.gz HGNDURGAAXYEHV-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN CCOc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362139 779994229 /nfs/dbraw/zinc/99/42/29/779994229.db2.gz OQOOFCPVWNEHJW-UHFFFAOYSA-N 0 0 274.305 2.654 20 10 CFCDRN Cn1ccc2cc(-c3noc(-c4csnn4)n3)ccc21 ZINC001212362140 779994836 /nfs/dbraw/zinc/99/48/36/779994836.db2.gz ORIDCDJJWHWHFR-UHFFFAOYSA-N 0 0 283.316 2.747 20 10 CFCDRN FC(F)(F)c1ccc(-c2noc(-c3csnn3)n2)nc1 ZINC001212364426 779998399 /nfs/dbraw/zinc/99/83/99/779998399.db2.gz OSHDUYDXYZHKEX-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN FC(F)(F)c1cccnc1-c1noc(-c2csnn2)n1 ZINC001212364133 779998746 /nfs/dbraw/zinc/99/87/46/779998746.db2.gz GEBGJGTUKMSOAS-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001240226164 780014517 /nfs/dbraw/zinc/01/45/17/780014517.db2.gz CMQHFEVJXOWRNJ-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cn1cc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001240294634 780051672 /nfs/dbraw/zinc/05/16/72/780051672.db2.gz BPQRYEOYYYSWBF-UHFFFAOYSA-N 0 0 277.331 2.571 20 10 CFCDRN CC(=O)c1ccccc1-c1noc(-c2nnsc2C)n1 ZINC001212405639 780095920 /nfs/dbraw/zinc/09/59/20/780095920.db2.gz ZYPVLFUACFBYQR-UHFFFAOYSA-N 0 0 286.316 2.766 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnc3[nH]ccc3c2)nn1 ZINC001240391034 780132457 /nfs/dbraw/zinc/13/24/57/780132457.db2.gz BNEAJJZDEFHBAU-UHFFFAOYSA-N 0 0 290.330 2.680 20 10 CFCDRN Cc1n[nH]cc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240523330 780230136 /nfs/dbraw/zinc/23/01/36/780230136.db2.gz VBZWIGOZQVPDJV-UHFFFAOYSA-N 0 0 283.306 2.734 20 10 CFCDRN Cn1ccc2ccc(-c3ncnc4c3ncn4C)cc21 ZINC001240571030 780263982 /nfs/dbraw/zinc/26/39/82/780263982.db2.gz QWSKNTOYMXYGKF-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN Cn1ccc2ccc(-c3ncnc4ncn(C)c43)cc21 ZINC001240571483 780264714 /nfs/dbraw/zinc/26/47/14/780264714.db2.gz YFAWMCSHUCJISR-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN CONC(=O)c1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240576457 780267309 /nfs/dbraw/zinc/26/73/09/780267309.db2.gz IDUJYZFPLGQWGW-UHFFFAOYSA-N 0 0 281.315 2.532 20 10 CFCDRN COCCn1cc(-c2ccc3ccn(C)c3c2)ccc1=O ZINC001240576267 780267428 /nfs/dbraw/zinc/26/74/28/780267428.db2.gz QKVWKUATIAWAMX-UHFFFAOYSA-N 0 0 282.343 2.653 20 10 CFCDRN COc1cc(-c2cc(=O)n(C)c3ccccc23)cnc1OC ZINC001240624542 780302338 /nfs/dbraw/zinc/30/23/38/780302338.db2.gz ZQPUFGAPMWMQGD-UHFFFAOYSA-N 0 0 296.326 2.618 20 10 CFCDRN Cc1n[nH]c(C)c1-c1cc(=O)n(C)c2ccccc12 ZINC001240127476 780316927 /nfs/dbraw/zinc/31/69/27/780316927.db2.gz NFLBLHDZXBEHPF-UHFFFAOYSA-N 0 0 253.305 2.545 20 10 CFCDRN O=c1cc(-c2cnn([C@H]3CCCCO3)c2)ccn1CC1CC1 ZINC001240680533 780353575 /nfs/dbraw/zinc/35/35/75/780353575.db2.gz QUBJPEQCAOFITF-QGZVFWFLSA-N 0 0 299.374 2.821 20 10 CFCDRN CC(C)Cn1ccc(-c2cnc(C3CC3)nc2)cc1=O ZINC001240687254 780360504 /nfs/dbraw/zinc/36/05/04/780360504.db2.gz PGWZATNUVPMGDE-UHFFFAOYSA-N 0 0 269.348 2.839 20 10 CFCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1CC(F)(F)F ZINC001240687355 780360957 /nfs/dbraw/zinc/36/09/57/780360957.db2.gz PKRZSDHSANHKRS-UHFFFAOYSA-N 0 0 295.264 2.745 20 10 CFCDRN Cc1cc(-c2ccn(C)c(=O)c2)cnc1OC(C)C ZINC001240991605 780577811 /nfs/dbraw/zinc/57/78/11/780577811.db2.gz NUDBULSFSKIZRT-UHFFFAOYSA-N 0 0 258.321 2.543 20 10 CFCDRN Cn1ccc(-c2cccc3c2NC(=O)CC3(C)C)cc1=O ZINC001240998492 780582534 /nfs/dbraw/zinc/58/25/34/780582534.db2.gz WWCTXCIRGYLKLX-UHFFFAOYSA-N 0 0 282.343 2.672 20 10 CFCDRN COC(=O)c1cc2ccc(-c3ccc[nH]c3=O)cc2n1C ZINC001241118460 780647310 /nfs/dbraw/zinc/64/73/10/780647310.db2.gz FLWWHEFNQXJBHO-UHFFFAOYSA-N 0 0 282.299 2.733 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](CCF)C1 ZINC000700593399 780703573 /nfs/dbraw/zinc/70/35/73/780703573.db2.gz UMMSSVVQJIQXFG-GFCCVEGCSA-N 0 0 273.735 2.606 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N(C)C ZINC000700764964 780723334 /nfs/dbraw/zinc/72/33/34/780723334.db2.gz NQFSVHJTKRZODN-GFCCVEGCSA-N 0 0 286.366 2.736 20 10 CFCDRN CNC(=O)c1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241355911 780804707 /nfs/dbraw/zinc/80/47/07/780804707.db2.gz YAVTZAFVYFVIIF-UHFFFAOYSA-N 0 0 293.370 2.735 20 10 CFCDRN COc1ncc(C)cc1-c1nccc2c1ccn2C ZINC001241362287 780812656 /nfs/dbraw/zinc/81/26/56/780812656.db2.gz OASHOLLOOBWKAZ-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN CCC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1 ZINC000703232741 781000769 /nfs/dbraw/zinc/00/07/69/781000769.db2.gz GMJHHWQAVUDAKG-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CSC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703260336 781001142 /nfs/dbraw/zinc/00/11/42/781001142.db2.gz YVTDWIXZSZBRNQ-UHFFFAOYSA-N 0 0 259.321 2.656 20 10 CFCDRN CC(C)SCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703264233 781001554 /nfs/dbraw/zinc/00/15/54/781001554.db2.gz WNUBTMOABAVXKK-UHFFFAOYSA-N 0 0 261.337 2.902 20 10 CFCDRN CCSCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703262455 781001713 /nfs/dbraw/zinc/00/17/13/781001713.db2.gz PLAPHPKXNXXZRS-UHFFFAOYSA-N 0 0 261.337 2.903 20 10 CFCDRN Cc1cc(C)c(C[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000703341334 781008770 /nfs/dbraw/zinc/00/87/70/781008770.db2.gz OAWDQXIWKJJCBY-UHFFFAOYSA-N 0 0 278.302 2.972 20 10 CFCDRN CCOc1c(F)cccc1N(CCO)c1ccc(N)cc1 ZINC001212536054 781020150 /nfs/dbraw/zinc/02/01/50/781020150.db2.gz FSCHXQDGFBVDQW-UHFFFAOYSA-N 0 0 290.338 2.937 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001137837702 781140849 /nfs/dbraw/zinc/14/08/49/781140849.db2.gz RFOMDBYDPVXQHD-ZDUSSCGKSA-N 0 0 288.322 2.580 20 10 CFCDRN CCOC(=O)c1nccnc1-c1cccc2c1ccn2C ZINC001241820081 781143725 /nfs/dbraw/zinc/14/37/25/781143725.db2.gz LWJURTVMDPLGBJ-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN CCOC(=O)c1cnc(-c2cccc3c2ccn3C)cn1 ZINC001241820363 781144078 /nfs/dbraw/zinc/14/40/78/781144078.db2.gz ZVCGHJBLSYMBSR-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN COc1ncc(-c2cccc3c2ccn3C)nc1OC ZINC001241822419 781144481 /nfs/dbraw/zinc/14/44/81/781144481.db2.gz VEIXJXITYJDZJP-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN Cc1ncc(-c2cccc3c2ccn3C)cc1C(N)=O ZINC001241823270 781144914 /nfs/dbraw/zinc/14/49/14/781144914.db2.gz LWNFNHJWXXOLPR-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN COc1nccc(-c2cccc3c2ccn3C)c1N ZINC001241822824 781144940 /nfs/dbraw/zinc/14/49/40/781144940.db2.gz ZKFWQUASOGWLKV-UHFFFAOYSA-N 0 0 253.305 2.831 20 10 CFCDRN Oc1cccc(Br)c1CNCC(F)F ZINC000706821936 781203835 /nfs/dbraw/zinc/20/38/35/781203835.db2.gz UTAHRMKMLPSFPM-UHFFFAOYSA-N 0 0 266.085 2.509 20 10 CFCDRN COc1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1C ZINC000707242191 781239391 /nfs/dbraw/zinc/23/93/91/781239391.db2.gz OAQSLYRJQMPOLR-GFCCVEGCSA-N 0 0 279.380 2.823 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nocc2C)c1 ZINC000708225172 781267727 /nfs/dbraw/zinc/26/77/27/781267727.db2.gz DWEOZZBZDOJTJV-SNVBAGLBSA-N 0 0 262.309 2.548 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCOC1 ZINC000708414811 781273361 /nfs/dbraw/zinc/27/33/61/781273361.db2.gz SRTQOMPGPJHQAB-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000708415562 781273727 /nfs/dbraw/zinc/27/37/27/781273727.db2.gz YTLRJZSIKLZZGL-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN CCN1CCC([N@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433586 781274951 /nfs/dbraw/zinc/27/49/51/781274951.db2.gz MRSOPWQBXPHZAR-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000708424078 781275241 /nfs/dbraw/zinc/27/52/41/781275241.db2.gz VZDIXLDMUBFWII-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN COCCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708465151 781276254 /nfs/dbraw/zinc/27/62/54/781276254.db2.gz CYBGWGVIWDDYGF-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN CCc1nn(C)cc1NCc1cc(F)cc(F)c1O ZINC000708495194 781291233 /nfs/dbraw/zinc/29/12/33/781291233.db2.gz TYETYOUYSVJCNX-UHFFFAOYSA-N 0 0 267.279 2.578 20 10 CFCDRN CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000708501790 781291297 /nfs/dbraw/zinc/29/12/97/781291297.db2.gz JCACUEKQWZSVPQ-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN Cc1csc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000708547945 781292014 /nfs/dbraw/zinc/29/20/14/781292014.db2.gz BWSJTVWZSAINEJ-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN CC[C@H](C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708519935 781292421 /nfs/dbraw/zinc/29/24/21/781292421.db2.gz PQXMCLBEICBJPH-ZANVPECISA-N 0 0 273.323 2.821 20 10 CFCDRN CCCCOCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708536045 781292446 /nfs/dbraw/zinc/29/24/46/781292446.db2.gz UWWUGLPUMILLTQ-UHFFFAOYSA-N 0 0 273.323 2.967 20 10 CFCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708554498 781292607 /nfs/dbraw/zinc/29/26/07/781292607.db2.gz HXRJICUJRAGYRB-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708558927 781293819 /nfs/dbraw/zinc/29/38/19/781293819.db2.gz NNBIKJXSNPKISC-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000709283834 781309167 /nfs/dbraw/zinc/30/91/67/781309167.db2.gz RFPRXKWFUHTROG-RVSPLBMKSA-N 0 0 272.392 2.896 20 10 CFCDRN C[C@@H]1CC(F)(F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000697625574 781431537 /nfs/dbraw/zinc/43/15/37/781431537.db2.gz XPQFSAZJYUMBRS-SECBINFHSA-N 0 0 269.295 2.920 20 10 CFCDRN Cn1ccc2c1ncnc2-c1ccc(OC(F)F)nc1 ZINC001242418159 781484434 /nfs/dbraw/zinc/48/44/34/781484434.db2.gz ULSOVDUCPARSBG-UHFFFAOYSA-N 0 0 276.246 2.632 20 10 CFCDRN COc1ncc(-c2ccn(CC3CC3)c(=O)c2)cc1C ZINC001242433022 781498616 /nfs/dbraw/zinc/49/86/16/781498616.db2.gz QODRYQSYIZQCDG-UHFFFAOYSA-N 0 0 270.332 2.637 20 10 CFCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C ZINC000142416690 781506486 /nfs/dbraw/zinc/50/64/86/781506486.db2.gz IPRDLKILKMWSDP-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN CCOc1cncc(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001242656523 781675156 /nfs/dbraw/zinc/67/51/56/781675156.db2.gz BTRCJMYGZIPLGF-UHFFFAOYSA-N 0 0 295.346 2.646 20 10 CFCDRN COCc1cncc(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001242956329 781873917 /nfs/dbraw/zinc/87/39/17/781873917.db2.gz AOAMXJPPQRZXLN-UHFFFAOYSA-N 0 0 280.327 2.747 20 10 CFCDRN Cn1ccc(-c2cc(C(F)(F)F)ccc2N)cc1=O ZINC001243004205 781916286 /nfs/dbraw/zinc/91/62/86/781916286.db2.gz NPARAUAAADUXCR-UHFFFAOYSA-N 0 0 268.238 2.653 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273366838 282242366 /nfs/dbraw/zinc/24/23/66/282242366.db2.gz BRRKILWCVQLENA-BONVTDFDSA-N 0 0 296.367 2.748 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273366844 282282090 /nfs/dbraw/zinc/28/20/90/282282090.db2.gz BRRKILWCVQLENA-ZUZCIYMTSA-N 0 0 296.367 2.748 20 10 CFCDRN CN(C)c1ccc(CN2CCNC(=O)c3ccccc32)cc1 ZINC000278331501 282289904 /nfs/dbraw/zinc/28/99/04/282289904.db2.gz BHPMRSDIPAJQRH-UHFFFAOYSA-N 0 0 295.386 2.503 20 10 CFCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000097178949 185556326 /nfs/dbraw/zinc/55/63/26/185556326.db2.gz OGSFCWABLXTMCW-ZDUSSCGKSA-N 0 0 286.375 2.513 20 10 CFCDRN Cc1cc(O)c(C[NH2+]CC[C@H](C)CCO)cc1C ZINC000295127475 199358999 /nfs/dbraw/zinc/35/89/99/199358999.db2.gz OARGAGNLTKSPGF-NSHDSACASA-N 0 0 251.370 2.507 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000028333783 346275176 /nfs/dbraw/zinc/27/51/76/346275176.db2.gz ICQACGDEPCEFNN-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000043786438 346386974 /nfs/dbraw/zinc/38/69/74/346386974.db2.gz XMHFODDABQRYQI-LBPRGKRZSA-N 0 0 285.347 2.690 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]1C ZINC000047099536 346445063 /nfs/dbraw/zinc/44/50/63/346445063.db2.gz WKILZUFSHOEYPW-UKRRQHHQSA-N 0 0 289.423 2.940 20 10 CFCDRN COC(=O)CN(Cc1c(O)ccc2ccccc21)C1CC1 ZINC000080300528 347352966 /nfs/dbraw/zinc/35/29/66/347352966.db2.gz CGXXVIRBUVGEBM-UHFFFAOYSA-N 0 0 285.343 2.683 20 10 CFCDRN Cc1ccoc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173203933 348106835 /nfs/dbraw/zinc/10/68/35/348106835.db2.gz OVSLYLTXYICXNN-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1 ZINC000206094889 348155803 /nfs/dbraw/zinc/15/58/03/348155803.db2.gz GVTCNXABFJWQNV-INIZCTEOSA-N 0 0 257.333 2.558 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000294602155 199103930 /nfs/dbraw/zinc/10/39/30/199103930.db2.gz ICOUWBJDBQMJPG-UHFFFAOYSA-N 0 0 284.762 2.536 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CCC[C@@H](O)C2)s1 ZINC000294899895 199238404 /nfs/dbraw/zinc/23/84/04/199238404.db2.gz ALBMOCJJYKPQRY-RKDXNWHRSA-N 0 0 287.406 2.573 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000296533995 199922415 /nfs/dbraw/zinc/92/24/15/199922415.db2.gz QPMFXEPRGFVXFE-NXEZZACHSA-N 0 0 273.323 2.872 20 10 CFCDRN COc1cccc(CNc2ccc3c(n2)CCCC3=O)c1O ZINC000297048955 200071051 /nfs/dbraw/zinc/07/10/51/200071051.db2.gz IIMCYONAHBVRHE-UHFFFAOYSA-N 0 0 298.342 2.927 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000297079919 200079756 /nfs/dbraw/zinc/07/97/56/200079756.db2.gz DCQWOHLDCUMMBK-KBPBESRZSA-N 0 0 285.391 2.613 20 10 CFCDRN Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccccc1 ZINC000298325014 200395081 /nfs/dbraw/zinc/39/50/81/200395081.db2.gz WVRPRMMVTXSBRU-UHFFFAOYSA-N 0 0 296.370 2.899 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187729192 296155417 /nfs/dbraw/zinc/15/54/17/296155417.db2.gz XRSJLNKCMHSPCC-GIPNMCIBSA-N 0 0 285.334 2.872 20 10 CFCDRN CCOc1cccc(CNc2ccc(OC)nc2)c1O ZINC000019877734 372202140 /nfs/dbraw/zinc/20/21/40/372202140.db2.gz MPTZTNZUPXNZKI-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888545 372387099 /nfs/dbraw/zinc/38/70/99/372387099.db2.gz HXPUCXSNVNONLJ-ZZXKWVIFSA-N 0 0 295.298 2.592 20 10 CFCDRN C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187730644 296193671 /nfs/dbraw/zinc/19/36/71/296193671.db2.gz PKGPBVDTWSDKIW-AEJSXWLSSA-N 0 0 273.323 2.728 20 10 CFCDRN CCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841353 373958782 /nfs/dbraw/zinc/95/87/82/373958782.db2.gz YCPDPNPWJQKPEH-LBPRGKRZSA-N 0 0 296.386 2.713 20 10 CFCDRN COc1cccc(CNc2nc3ccccc3[nH]2)c1O ZINC000083513321 374750719 /nfs/dbraw/zinc/75/07/19/374750719.db2.gz CCMMBCUWWUFBCU-UHFFFAOYSA-N 0 0 269.304 2.889 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000093475754 375250965 /nfs/dbraw/zinc/25/09/65/375250965.db2.gz WFTSHANDRNVTMQ-UHFFFAOYSA-N 0 0 270.716 2.938 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ccn(C)n2)cc1 ZINC000112341561 375907029 /nfs/dbraw/zinc/90/70/29/375907029.db2.gz UTQGYAKLTHJAEG-UHFFFAOYSA-N 0 0 272.396 2.556 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124734870 377082766 /nfs/dbraw/zinc/08/27/66/377082766.db2.gz DOCFJAKMLUYLGL-NSHDSACASA-N 0 0 257.761 2.542 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(O)c1O ZINC000126337503 377221937 /nfs/dbraw/zinc/22/19/37/377221937.db2.gz AONZUTPDYLQYAL-PWSUYJOCSA-N 0 0 263.337 2.749 20 10 CFCDRN COc1ccc(N(C)CCOC(C)(C)C)c(OC)c1 ZINC000132187298 377811912 /nfs/dbraw/zinc/81/19/12/377811912.db2.gz VBCXWWWHQKEKQM-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2CC[C@@H](C)C2)c1O ZINC000133042117 377899076 /nfs/dbraw/zinc/89/90/76/377899076.db2.gz GOMSKTQDJLVHFT-NEPJUHHUSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1cccc(CNC(=O)CCCCSC)c1O ZINC000155127451 378613132 /nfs/dbraw/zinc/61/31/32/378613132.db2.gz VCDSLFZUFFRUKT-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN Cc1ncc(C(=O)N(C)Cc2ccccc2O)c(C(C)C)n1 ZINC000178708978 380479130 /nfs/dbraw/zinc/47/91/30/380479130.db2.gz HXARCQWAKLRWHZ-UHFFFAOYSA-N 0 0 299.374 2.886 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCCc3ccc(F)cc32)cnn1C ZINC000179245249 380522227 /nfs/dbraw/zinc/52/22/27/380522227.db2.gz SENHOCUVVKKKHR-SOFGYWHQSA-N 0 0 299.349 2.860 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000179357093 380535983 /nfs/dbraw/zinc/53/59/83/380535983.db2.gz OQWBKDURYLBMMT-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN CN(Cc1nccs1)Cc1cc(F)ccc1O ZINC000180184343 380630114 /nfs/dbraw/zinc/63/01/14/380630114.db2.gz BMULKSNRTVXZTB-UHFFFAOYSA-N 0 0 252.314 2.620 20 10 CFCDRN CC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000179975064 380604932 /nfs/dbraw/zinc/60/49/32/380604932.db2.gz MTHIYOSPCQVTIL-CYBMUJFWSA-N 0 0 253.317 2.532 20 10 CFCDRN COc1ccc(N(C)Cc2cc[nH]n2)cc1Cl ZINC000180770034 380697990 /nfs/dbraw/zinc/69/79/90/380697990.db2.gz SJHVTJLNWJAILG-UHFFFAOYSA-N 0 0 251.717 2.708 20 10 CFCDRN C[C@@H](N(C)C(=O)/C=C/c1ccc(O)c(O)c1)C1(C)CC1 ZINC000180853192 380706171 /nfs/dbraw/zinc/70/61/71/380706171.db2.gz UKCZNAUZTZZVRY-OKPNEXGHSA-N 0 0 275.348 2.758 20 10 CFCDRN COC(=O)c1cncc(NCc2cc(C)c(C)cc2O)c1 ZINC000181718858 380875048 /nfs/dbraw/zinc/87/50/48/380875048.db2.gz XZFXMEIFBSPVKR-UHFFFAOYSA-N 0 0 286.331 2.803 20 10 CFCDRN O=C(NC[C@@H]1CCCCC1(F)F)c1cccc(O)c1O ZINC000295417606 380841283 /nfs/dbraw/zinc/84/12/83/380841283.db2.gz MDBOLJCUFRDYSZ-VIFPVBQESA-N 0 0 285.290 2.653 20 10 CFCDRN COc1cccc(CNC(=O)OC2CCCC2)c1O ZINC000295479596 380882312 /nfs/dbraw/zinc/88/23/12/380882312.db2.gz GNOGVAFHAPMSBI-UHFFFAOYSA-N 0 0 265.309 2.570 20 10 CFCDRN CC[C@H]([NH2+]CC1(C)OCCO1)c1cccc(Cl)c1[O-] ZINC000287710268 380914858 /nfs/dbraw/zinc/91/48/58/380914858.db2.gz OCWCPXNRPZWMGA-LBPRGKRZSA-N 0 0 285.771 2.849 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000288432343 381013423 /nfs/dbraw/zinc/01/34/23/381013423.db2.gz BTQWBOUPYWEAGY-WBMJQRKESA-N 0 0 257.333 2.604 20 10 CFCDRN COc1cccc(CN[C@H](C2CC2)C(F)(F)F)c1O ZINC000288436561 381013869 /nfs/dbraw/zinc/01/38/69/381013869.db2.gz LMKZLFIMJVMASS-GFCCVEGCSA-N 0 0 275.270 2.831 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000295837997 381108157 /nfs/dbraw/zinc/10/81/57/381108157.db2.gz AIPWVNLXOZUNIV-NXEZZACHSA-N 0 0 255.333 2.731 20 10 CFCDRN Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295926010 381160964 /nfs/dbraw/zinc/16/09/64/381160964.db2.gz JYVASZFKKGNBLN-ZIAGYGMSSA-N 0 0 283.375 2.780 20 10 CFCDRN COc1ccc(N(C)CCCn2ccnc2)cc1F ZINC000182850623 381171285 /nfs/dbraw/zinc/17/12/85/381171285.db2.gz LDSYPPAKEIRNDJ-UHFFFAOYSA-N 0 0 263.316 2.557 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)CC2 ZINC000295999222 381205207 /nfs/dbraw/zinc/20/52/07/381205207.db2.gz OFOQGMYATCLYGD-ZBFHGGJFSA-N 0 0 287.334 2.842 20 10 CFCDRN CO[C@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183104128 381216721 /nfs/dbraw/zinc/21/67/21/381216721.db2.gz BXYCRJYIWRPWKC-CQSZACIVSA-N 0 0 290.407 2.718 20 10 CFCDRN CCN(CC)C(=O)CN(C)Cc1cc(Cl)cc(C)c1O ZINC000183375677 381265658 /nfs/dbraw/zinc/26/56/58/381265658.db2.gz HJJRIQHMQXBTBE-UHFFFAOYSA-N 0 0 298.814 2.654 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]n1 ZINC000183621607 381295279 /nfs/dbraw/zinc/29/52/79/381295279.db2.gz ANEPZKSBWRDJBH-JQWIXIFHSA-N 0 0 259.353 2.706 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183481092 381276749 /nfs/dbraw/zinc/27/67/49/381276749.db2.gz YLMADFIFNCRDSY-VIFPVBQESA-N 0 0 291.372 2.829 20 10 CFCDRN CC/C=C(\C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183486422 381277143 /nfs/dbraw/zinc/27/71/43/381277143.db2.gz LWSDSQFOYONENY-UAWPZABVSA-N 0 0 263.337 2.501 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCCC1 ZINC000183481463 381277795 /nfs/dbraw/zinc/27/77/95/381277795.db2.gz HURBUFLDUDSPEJ-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296423247 381388756 /nfs/dbraw/zinc/38/87/56/381388756.db2.gz LNBZBRIOHWNTTB-MNOVXSKESA-N 0 0 282.340 2.502 20 10 CFCDRN Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N)cc1)CO2 ZINC000297150650 381552686 /nfs/dbraw/zinc/55/26/86/381552686.db2.gz IXCMKJSNXJDJSW-MRXNPFEDSA-N 0 0 296.370 2.678 20 10 CFCDRN Oc1cccc2c1[C@@H](Nc1cnn(CC(F)F)c1)CC2 ZINC000296983285 381548242 /nfs/dbraw/zinc/54/82/42/381548242.db2.gz SBKZUVJDMGPWFC-NSHDSACASA-N 0 0 279.290 2.953 20 10 CFCDRN COc1ccc(N(C)Cc2cnns2)cc1Cl ZINC000296767033 381533896 /nfs/dbraw/zinc/53/38/96/381533896.db2.gz MEDHSRWNULCIPZ-UHFFFAOYSA-N 0 0 269.757 2.837 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccnnc2)cc1 ZINC000297295873 381557773 /nfs/dbraw/zinc/55/77/73/381557773.db2.gz BGKIOUUTMSSDFY-UHFFFAOYSA-N 0 0 299.378 2.645 20 10 CFCDRN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000185534460 381659677 /nfs/dbraw/zinc/65/96/77/381659677.db2.gz ATLVMPVEZNDCAB-JYBASQMISA-N 0 0 279.355 2.995 20 10 CFCDRN Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000298691738 381713675 /nfs/dbraw/zinc/71/36/75/381713675.db2.gz DSZPEJNEPFRKMY-UHFFFAOYSA-N 0 0 286.379 2.609 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C1CC1 ZINC000298566431 381675785 /nfs/dbraw/zinc/67/57/85/381675785.db2.gz KABNATDUZDVJFY-HNNXBMFYSA-N 0 0 277.364 2.556 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000185782437 381732993 /nfs/dbraw/zinc/73/29/93/381732993.db2.gz ADLMNHINBXWFKC-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000298850990 381765356 /nfs/dbraw/zinc/76/53/56/381765356.db2.gz NDEHBYQDJJPAAX-UHFFFAOYSA-N 0 0 263.385 2.645 20 10 CFCDRN CCC(=CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CC ZINC000186406214 381902189 /nfs/dbraw/zinc/90/21/89/381902189.db2.gz DPMUYJIQMVHADH-LLVKDONJSA-N 0 0 277.364 2.891 20 10 CFCDRN Cc1nsc(N2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000373216989 381951545 /nfs/dbraw/zinc/95/15/45/381951545.db2.gz PGOVUSRBGRQXES-UHFFFAOYSA-N 0 0 286.404 2.816 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cccc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000373370798 381989504 /nfs/dbraw/zinc/98/95/04/381989504.db2.gz RZAKWKFUACNGTJ-CVEARBPZSA-N 0 0 279.355 2.826 20 10 CFCDRN COc1nc(C)nc(N2CC=C(c3cccnc3)CC2)c1C ZINC000375358233 382081099 /nfs/dbraw/zinc/08/10/99/382081099.db2.gz VLEFZICKVWICCW-UHFFFAOYSA-N 0 0 296.374 2.791 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000293570459 382179184 /nfs/dbraw/zinc/17/91/84/382179184.db2.gz IYMQAQNRPGVTDO-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000301839449 382196325 /nfs/dbraw/zinc/19/63/25/382196325.db2.gz XMBNWWGZOHXWIL-AWEZNQCLSA-N 0 0 298.390 2.795 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccccn2)CC1 ZINC000377052216 382207215 /nfs/dbraw/zinc/20/72/15/382207215.db2.gz NGJRTRBGLPIIOZ-UHFFFAOYSA-N 0 0 298.342 2.513 20 10 CFCDRN CN(C)c1ccc(CNc2nc(N)c3ccccc3n2)cc1 ZINC000301812219 382194386 /nfs/dbraw/zinc/19/43/86/382194386.db2.gz ZUVWMCGJNKGQON-UHFFFAOYSA-N 0 0 293.374 2.890 20 10 CFCDRN CC[C@](C)(CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293706509 382241856 /nfs/dbraw/zinc/24/18/56/382241856.db2.gz UFZMBAPJSRJOIM-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000377282378 382248542 /nfs/dbraw/zinc/24/85/42/382248542.db2.gz FAFHBHROYJNCRT-KRWDZBQOSA-N 0 0 299.422 2.571 20 10 CFCDRN Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C2 ZINC000363860448 382248992 /nfs/dbraw/zinc/24/89/92/382248992.db2.gz USMRUFITRDBJDM-WCQYABFASA-N 0 0 289.354 2.702 20 10 CFCDRN Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000363860449 382249013 /nfs/dbraw/zinc/24/90/13/382249013.db2.gz USMRUFITRDBJDM-YPMHNXCESA-N 0 0 289.354 2.702 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000293720693 382249662 /nfs/dbraw/zinc/24/96/62/382249662.db2.gz NPTYWJJERCSVIL-YMTOWFKASA-N 0 0 253.317 2.607 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187701288 382251909 /nfs/dbraw/zinc/25/19/09/382251909.db2.gz KNOIUDRUOUSRMF-MRVPVSSYSA-N 0 0 268.263 2.818 20 10 CFCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccccc1O ZINC000377340837 382255588 /nfs/dbraw/zinc/25/55/88/382255588.db2.gz ZHTHMPCTIALTMO-BDJLRTHQSA-N 0 0 298.342 2.714 20 10 CFCDRN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293742702 382259549 /nfs/dbraw/zinc/25/95/49/382259549.db2.gz XJRADMFTZLWUFS-OQPBUACISA-N 0 0 275.751 2.681 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1O ZINC000293751087 382262849 /nfs/dbraw/zinc/26/28/49/382262849.db2.gz RISQHFIQLPBZQZ-JSGCOSHPSA-N 0 0 250.386 2.631 20 10 CFCDRN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293893997 382326371 /nfs/dbraw/zinc/32/63/71/382326371.db2.gz DWMZXSOLEXJFRQ-YMTOWFKASA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)[C@H](C)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188281310 382382366 /nfs/dbraw/zinc/38/23/66/382382366.db2.gz CLPHOCZMOOPZAO-JTQLQIEISA-N 0 0 263.337 2.747 20 10 CFCDRN COC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H](C)O1 ZINC000188336198 382395080 /nfs/dbraw/zinc/39/50/80/382395080.db2.gz BTSCVWSLJMDDQJ-FZMZJTMJSA-N 0 0 299.798 2.590 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294138127 382430271 /nfs/dbraw/zinc/43/02/71/382430271.db2.gz HGCQVBHRZOYKBO-JTQLQIEISA-N 0 0 275.751 2.681 20 10 CFCDRN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294094662 382412355 /nfs/dbraw/zinc/41/23/55/382412355.db2.gz ZWFKOSOPWZGCDG-NSHDSACASA-N 0 0 298.814 2.688 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000378488528 382471583 /nfs/dbraw/zinc/47/15/83/382471583.db2.gz BFHNILLFJPJRCH-OAHLLOKOSA-N 0 0 292.398 2.982 20 10 CFCDRN CCOC1CC(CC[NH2+]Cc2cc(C)ccc2O)C1 ZINC000188786543 382475805 /nfs/dbraw/zinc/47/58/05/382475805.db2.gz QPHFXUVCFFKPJV-UHFFFAOYSA-N 0 0 263.381 2.995 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294576915 382517009 /nfs/dbraw/zinc/51/70/09/382517009.db2.gz GTIFHVUKAQOJTG-JGVFFNPUSA-N 0 0 261.724 2.698 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1C ZINC000366651567 382540178 /nfs/dbraw/zinc/54/01/78/382540178.db2.gz IIDJAJJMOZHUOT-HUUCEWRRSA-N 0 0 275.392 2.867 20 10 CFCDRN CN(CC1CC(F)(F)C1)c1ccc2c(c1)OCO2 ZINC000294891640 382541767 /nfs/dbraw/zinc/54/17/67/382541767.db2.gz GFLNWCIFOFICIH-UHFFFAOYSA-N 0 0 255.264 2.897 20 10 CFCDRN Cn1ccnc1[C@H]1N(Cc2ccccc2O)CC1(C)C ZINC000294907271 382543301 /nfs/dbraw/zinc/54/33/01/382543301.db2.gz XTVYEDTVKIOGQC-CQSZACIVSA-N 0 0 271.364 2.709 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000295000616 382559529 /nfs/dbraw/zinc/55/95/29/382559529.db2.gz UUTGSEKHBRHTSF-JTQLQIEISA-N 0 0 273.735 2.796 20 10 CFCDRN Cc1cccc(CN2C[C@@H](CO)Cc3ccccc32)c1O ZINC000367798187 382588042 /nfs/dbraw/zinc/58/80/42/382588042.db2.gz OYFQMGVRZDDAJI-AWEZNQCLSA-N 0 0 283.371 2.872 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CCC(C)(C)O2)s1 ZINC000295289322 382608887 /nfs/dbraw/zinc/60/88/87/382608887.db2.gz LGIAUESWPJVSBH-MRVPVSSYSA-N 0 0 287.406 2.979 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C)c2cnccn2)s1 ZINC000295156762 382578047 /nfs/dbraw/zinc/57/80/47/382578047.db2.gz GBHRLJJECHXIRJ-SSDOTTSWSA-N 0 0 281.362 2.573 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000190306744 382661673 /nfs/dbraw/zinc/66/16/73/382661673.db2.gz WBIMPVKPYYOZPG-ZWNOBZJWSA-N 0 0 269.772 2.686 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc3c(c2)OCO3)c1 ZINC000255418668 383482264 /nfs/dbraw/zinc/48/22/64/383482264.db2.gz XJXOTMXBZMKWIG-UTCJRWHESA-N 0 0 296.326 2.795 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2cc(F)ccc21 ZINC000255058975 383475485 /nfs/dbraw/zinc/47/54/85/383475485.db2.gz WTSJHOSQYBCSTP-DAXSKMNVSA-N 0 0 297.333 2.717 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3cncc(F)c3)ccc21 ZINC000268249883 384579475 /nfs/dbraw/zinc/57/94/75/384579475.db2.gz HFNJYWGDFVOFDS-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](O)COC(C)C)cc1 ZINC000269089890 384723791 /nfs/dbraw/zinc/72/37/91/384723791.db2.gz JWHVETAWUKJKFO-OAHLLOKOSA-N 0 0 281.396 2.698 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2nccn2C)cc1 ZINC000268944664 384698342 /nfs/dbraw/zinc/69/83/42/384698342.db2.gz WFQFEJNGOZASNN-CYBMUJFWSA-N 0 0 272.396 2.727 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1C ZINC000269155424 384732110 /nfs/dbraw/zinc/73/21/10/384732110.db2.gz QFSUDBPKLCCXQL-UHFFFAOYSA-N 0 0 272.348 2.620 20 10 CFCDRN CC(C)(C)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000269229820 384737858 /nfs/dbraw/zinc/73/78/58/384737858.db2.gz QKMGBCZNQSMCSA-AWEZNQCLSA-N 0 0 260.381 2.848 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N2CCCC2)cc1 ZINC000269640435 384816114 /nfs/dbraw/zinc/81/61/14/384816114.db2.gz SEFQXKWPZQINHQ-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnnc1C ZINC000269976436 384926605 /nfs/dbraw/zinc/92/66/05/384926605.db2.gz NCGZGQBUISOEMI-UHFFFAOYSA-N 0 0 285.347 2.543 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccnnc2C)cc1 ZINC000270000137 384938034 /nfs/dbraw/zinc/93/80/34/384938034.db2.gz XWCVQMAWMJQBDT-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN C[C@H]1CC/C(=C\C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000270528911 385136088 /nfs/dbraw/zinc/13/60/88/385136088.db2.gz DFKHUAUJAOKWNM-CDDSVFCYSA-N 0 0 275.348 2.503 20 10 CFCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000281161714 385184786 /nfs/dbraw/zinc/18/47/86/385184786.db2.gz VVJDNADSOIIGRF-LOWVWBTDSA-N 0 0 295.354 2.914 20 10 CFCDRN CC[C@](C)(OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000281320283 385189880 /nfs/dbraw/zinc/18/98/80/385189880.db2.gz ZVGAJQWSXHSCOE-INIZCTEOSA-N 0 0 278.396 2.526 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c(C)n1 ZINC000282513762 385331901 /nfs/dbraw/zinc/33/19/01/385331901.db2.gz OTKCBEWGGOLOQU-UHFFFAOYSA-N 0 0 287.363 2.866 20 10 CFCDRN CCC[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000271117786 385341398 /nfs/dbraw/zinc/34/13/98/385341398.db2.gz WXLHQSKCWKMRMI-UHFFFAOYSA-N 0 0 253.342 2.641 20 10 CFCDRN CN(C)c1ccc(CNc2ncnn2C(C)(C)C)cc1F ZINC000282573059 385343777 /nfs/dbraw/zinc/34/37/77/385343777.db2.gz KQJKBCMOTRVYEC-UHFFFAOYSA-N 0 0 291.374 2.850 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000271244956 385377265 /nfs/dbraw/zinc/37/72/65/385377265.db2.gz BXUDJHCLTUUTIS-QPUJVOFHSA-N 0 0 290.190 2.902 20 10 CFCDRN COCc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000271645421 385387412 /nfs/dbraw/zinc/38/74/12/385387412.db2.gz HZEIHDGGIYKFFV-JTQLQIEISA-N 0 0 278.377 2.846 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nnc(C2CC2)o1 ZINC000271953639 385409925 /nfs/dbraw/zinc/40/99/25/385409925.db2.gz CKKGXNMFDLKKSB-UHFFFAOYSA-N 0 0 265.700 2.918 20 10 CFCDRN CC[N@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000272339696 385514485 /nfs/dbraw/zinc/51/44/85/385514485.db2.gz YNHNAJPUGYVGMV-UHFFFAOYSA-N 0 0 260.312 2.948 20 10 CFCDRN Cc1coc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000284482445 385548486 /nfs/dbraw/zinc/54/84/86/385548486.db2.gz KUVWMBVVXFTUDJ-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN Cc1nccn1CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284086015 385533268 /nfs/dbraw/zinc/53/32/68/385533268.db2.gz MAJLTDZFMOPLGA-CYBMUJFWSA-N 0 0 273.380 2.865 20 10 CFCDRN CCCCCN1CC(=O)N[C@H]1c1ccc(N(C)C)c(F)c1 ZINC000272465148 385543163 /nfs/dbraw/zinc/54/31/63/385543163.db2.gz YGNXUCKVJBOSFI-MRXNPFEDSA-N 0 0 293.386 2.512 20 10 CFCDRN COC(=O)COc1ccc(N(C)CCCCCF)cc1 ZINC000283969908 385518757 /nfs/dbraw/zinc/51/87/57/385518757.db2.gz FIEDSMJTSRFPLS-UHFFFAOYSA-N 0 0 283.343 2.814 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(F)cc1[O-] ZINC000285456624 385555774 /nfs/dbraw/zinc/55/57/74/385555774.db2.gz ACMXWPOMMAOIOO-RISCZKNCSA-N 0 0 277.343 2.857 20 10 CFCDRN COc1ccc(CN[C@H](c2nncn2C)C(C)C)cc1C ZINC000285599240 385556398 /nfs/dbraw/zinc/55/63/98/385556398.db2.gz VCSJSKLZFMHYQU-HNNXBMFYSA-N 0 0 288.395 2.619 20 10 CFCDRN CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286069192 385559519 /nfs/dbraw/zinc/55/95/19/385559519.db2.gz LTQYPBISXPLINA-ZFWWWQNUSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(F)cc1[O-] ZINC000286096244 385560459 /nfs/dbraw/zinc/56/04/59/385560459.db2.gz MZWVWYJPFSVIBN-FZMZJTMJSA-N 0 0 277.343 2.857 20 10 CFCDRN CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286121512 385562088 /nfs/dbraw/zinc/56/20/88/385562088.db2.gz OCZRZOSXHDYYCU-YPMHNXCESA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(F)cc1[O-] ZINC000286140219 385563013 /nfs/dbraw/zinc/56/30/13/385563013.db2.gz OKKRGQICVQDSBM-BXUZGUMPSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(F)cc1[O-] ZINC000286190788 385569616 /nfs/dbraw/zinc/56/96/16/385569616.db2.gz RHJCJLPOTHBLNH-GXTWGEPZSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286204475 385571803 /nfs/dbraw/zinc/57/18/03/385571803.db2.gz RMVPHAGCJMZRCW-JSGCOSHPSA-N 0 0 294.370 2.581 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000286206845 385572078 /nfs/dbraw/zinc/57/20/78/385572078.db2.gz RPAABLDMSRGLCA-CQSZACIVSA-N 0 0 277.343 2.814 20 10 CFCDRN CC[C@H]([NH2+]C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286361123 385598821 /nfs/dbraw/zinc/59/88/21/385598821.db2.gz ZGDALEKAMWYSLI-ZDUSSCGKSA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@H]1CC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272659711 385583532 /nfs/dbraw/zinc/58/35/32/385583532.db2.gz OJUNURMASMASNV-RMUNVQARSA-N 0 0 275.348 2.901 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C)c(O)c1O ZINC000272804594 385618983 /nfs/dbraw/zinc/61/89/83/385618983.db2.gz ZCIXODIZRIMYKX-GXSJLCMTSA-N 0 0 263.337 2.667 20 10 CFCDRN C[N@H+](CCc1cnccn1)Cc1cccc(Cl)c1[O-] ZINC000272826081 385626312 /nfs/dbraw/zinc/62/63/12/385626312.db2.gz PDDMNNNEPDBKLB-UHFFFAOYSA-N 0 0 277.755 2.510 20 10 CFCDRN CCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273373638 385679280 /nfs/dbraw/zinc/67/92/80/385679280.db2.gz GQUOPYRWLRMQNP-JTQLQIEISA-N 0 0 251.326 2.630 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000273412739 385681386 /nfs/dbraw/zinc/68/13/86/385681386.db2.gz PZNGZERJEVGNJZ-SNVBAGLBSA-N 0 0 275.304 2.623 20 10 CFCDRN C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000273460913 385685259 /nfs/dbraw/zinc/68/52/59/385685259.db2.gz CRRBGCDNPNIYLO-VIFPVBQESA-N 0 0 294.292 2.676 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCSC)c1 ZINC000273553133 385687307 /nfs/dbraw/zinc/68/73/07/385687307.db2.gz GGXIXUSYKVOBGX-JTQLQIEISA-N 0 0 283.393 2.583 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](OC)C(C)C)c1 ZINC000273550383 385687816 /nfs/dbraw/zinc/68/78/16/385687816.db2.gz FSZSGXLBIFSNNG-ABAIWWIYSA-N 0 0 295.379 2.500 20 10 CFCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000273678387 385692887 /nfs/dbraw/zinc/69/28/87/385692887.db2.gz YTZXLUKCFVZBSS-UHFFFAOYSA-N 0 0 299.334 2.597 20 10 CFCDRN CC(C)c1[nH]ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000286876467 385729358 /nfs/dbraw/zinc/72/93/58/385729358.db2.gz ZLDOKCGVIZAQFT-UHFFFAOYSA-N 0 0 288.347 2.522 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C2CC2)cc1 ZINC000286914404 385738471 /nfs/dbraw/zinc/73/84/71/385738471.db2.gz BAFPJZBEEXTPAQ-UHFFFAOYSA-N 0 0 260.381 2.805 20 10 CFCDRN CCCN(CC)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372454937 393449941 /nfs/dbraw/zinc/44/99/41/393449941.db2.gz PSLZKZJGDBROFR-UHFFFAOYSA-N 0 0 275.396 2.620 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)[C@@H]1C ZINC000372454048 393450038 /nfs/dbraw/zinc/45/00/38/393450038.db2.gz LFIQKKCQRLWNFB-CHWSQXEVSA-N 0 0 287.407 2.619 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3C[C@H]4CCC[C@@H]4C3)ccc21 ZINC000372445593 393450190 /nfs/dbraw/zinc/45/01/90/393450190.db2.gz HBGMUEIRMSHQIP-HZPDHXFCSA-N 0 0 299.418 2.620 20 10 CFCDRN CC(C)N(C(=O)NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000372452983 393450393 /nfs/dbraw/zinc/45/03/93/393450393.db2.gz FUUPPHOKMAVMDJ-UHFFFAOYSA-N 0 0 287.407 2.761 20 10 CFCDRN CC(C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372491058 393450978 /nfs/dbraw/zinc/45/09/78/393450978.db2.gz AUIFXXKARAPJGJ-LBPRGKRZSA-N 0 0 275.396 2.523 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)c(F)c1[O-] ZINC000372618478 393452883 /nfs/dbraw/zinc/45/28/83/393452883.db2.gz LDNWVLSYONVRJA-MDSNHJATSA-N 0 0 269.291 2.641 20 10 CFCDRN COc1cccc(CNc2nc(C)nc(C)c2C)c1O ZINC000301680571 393476052 /nfs/dbraw/zinc/47/60/52/393476052.db2.gz JIWUNRSMDASHJR-UHFFFAOYSA-N 0 0 273.336 2.728 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000187306408 393552814 /nfs/dbraw/zinc/55/28/14/393552814.db2.gz ZTKUYBZJIVQJSQ-XRFFLINXSA-N 0 0 265.328 2.749 20 10 CFCDRN Oc1cc2c(cc1CN1Cc3ccccc3C1)OCO2 ZINC000106063272 393865565 /nfs/dbraw/zinc/86/55/65/393865565.db2.gz QVDOXRNDNSNJHZ-UHFFFAOYSA-N 0 0 269.300 2.637 20 10 CFCDRN Cc1cc(C(=O)N(C)[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000106845157 393867755 /nfs/dbraw/zinc/86/77/55/393867755.db2.gz BEPOWDCZRDMKJD-INIZCTEOSA-N 0 0 298.386 2.955 20 10 CFCDRN CCCCc1noc(CN(C)Cc2ccccc2O)n1 ZINC000109770361 393879309 /nfs/dbraw/zinc/87/93/09/393879309.db2.gz GCXJDOCYTDIFLY-UHFFFAOYSA-N 0 0 275.352 2.750 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCC1 ZINC000119143515 393914894 /nfs/dbraw/zinc/91/48/94/393914894.db2.gz LFFJORIALFQMAC-NSHDSACASA-N 0 0 275.348 2.645 20 10 CFCDRN CN(C[C@H](O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000121385879 393954888 /nfs/dbraw/zinc/95/48/88/393954888.db2.gz MQWRDIZFJXOQLV-AWEZNQCLSA-N 0 0 289.306 2.724 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C3CC3)no2)cc1F ZINC000121727751 393959430 /nfs/dbraw/zinc/95/94/30/393959430.db2.gz XMQWITADYIXGRU-UHFFFAOYSA-N 0 0 277.299 2.731 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCCC2)cc1Cl ZINC000121866324 393961587 /nfs/dbraw/zinc/96/15/87/393961587.db2.gz VJYZUSXASRWVEK-UHFFFAOYSA-N 0 0 296.798 2.797 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000491167371 394046438 /nfs/dbraw/zinc/04/64/38/394046438.db2.gz JGDLUMXVKRFTDI-BQYQJAHWSA-N 0 0 279.343 2.778 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)Oc3ncccc32)cn1 ZINC000492546336 394071052 /nfs/dbraw/zinc/07/10/52/394071052.db2.gz JCLHZXGKPUUDGN-SBDDDAINSA-N 0 0 295.342 2.612 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(OC)c1)c1ncccc1C ZINC000492565555 394071444 /nfs/dbraw/zinc/07/14/44/394071444.db2.gz LWPLTSJKXMKDSJ-FPLPWBNLSA-N 0 0 297.358 2.860 20 10 CFCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccn(C)c2)C1 ZINC000492813071 394077154 /nfs/dbraw/zinc/07/71/54/394077154.db2.gz XOMKNPGUNDNATI-PTZVLDCSSA-N 0 0 296.370 2.643 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCC(F)(F)C2)c(O)c1O ZINC000281918421 394093654 /nfs/dbraw/zinc/09/36/54/394093654.db2.gz VKMCKUPYNMWRQT-VIFPVBQESA-N 0 0 285.290 2.571 20 10 CFCDRN C[C@H]([NH2+]Cc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372636 394034921 /nfs/dbraw/zinc/03/49/21/394034921.db2.gz GLPYJOYRUNQLNY-QMMMGPOBSA-N 0 0 279.321 2.608 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc(F)n2)cn1 ZINC000493097850 394147822 /nfs/dbraw/zinc/14/78/22/394147822.db2.gz YINDOQGSTAEPDL-CMDGGOBGSA-N 0 0 271.295 2.600 20 10 CFCDRN CCN(C(=O)/C=C\c1cncs1)c1cccnc1C ZINC000493143866 394161154 /nfs/dbraw/zinc/16/11/54/394161154.db2.gz AFQAOVWKZUNRDM-SREVYHEPSA-N 0 0 273.361 2.913 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCOc2cccc(F)c21 ZINC000493545851 394273924 /nfs/dbraw/zinc/27/39/24/394273924.db2.gz DCGKVVDUKUUKKM-SNAWJCMRSA-N 0 0 290.319 2.721 20 10 CFCDRN CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000296464389 394309068 /nfs/dbraw/zinc/30/90/68/394309068.db2.gz NLISVWYDUDVKSJ-MRVPVSSYSA-N 0 0 296.321 2.763 20 10 CFCDRN Cc1cnc(NCc2ccc3c(c2)CCN3C)nc1C ZINC000372267401 394309178 /nfs/dbraw/zinc/30/91/78/394309178.db2.gz KWTUBMZKBMKTFP-UHFFFAOYSA-N 0 0 268.364 2.698 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C/c1ccn(C)c1 ZINC000493846024 394328516 /nfs/dbraw/zinc/32/85/16/394328516.db2.gz CCCWWAXALKARJQ-MDZDMXLPSA-N 0 0 283.375 2.767 20 10 CFCDRN COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000297250654 292122988 /nfs/dbraw/zinc/12/29/88/292122988.db2.gz JHFNWPLQGSBYTJ-LLVKDONJSA-N 0 0 294.351 2.910 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CC[C@H]1CCOC1=O ZINC000376636228 286389086 /nfs/dbraw/zinc/38/90/86/286389086.db2.gz FPIATRJPBCQKMZ-ZDUSSCGKSA-N 0 0 289.375 2.791 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1ccnn1C ZINC000271546847 286389093 /nfs/dbraw/zinc/38/90/93/286389093.db2.gz KSLGPDKSVONVOH-UHFFFAOYSA-N 0 0 271.364 2.772 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(F)cc1[O-] ZINC000286310129 286920074 /nfs/dbraw/zinc/92/00/74/286920074.db2.gz XBRNZMHPGPDNQF-SMDDNHRTSA-N 0 0 294.370 2.583 20 10 CFCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000005234378 170077840 /nfs/dbraw/zinc/07/78/40/170077840.db2.gz WUCJZZNNENRFNX-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ncccn1 ZINC000352540724 227047700 /nfs/dbraw/zinc/04/77/00/227047700.db2.gz ONSPVDPWHKMQAI-UHFFFAOYSA-N 0 0 252.321 2.889 20 10 CFCDRN CC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000156166370 261115161 /nfs/dbraw/zinc/11/51/61/261115161.db2.gz QAJQNMQZFPQJKB-GFCCVEGCSA-N 0 0 262.378 2.950 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCC(F)(F)F ZINC000175503533 261228779 /nfs/dbraw/zinc/22/87/79/261228779.db2.gz XUXGWWDNVSUBTM-UHFFFAOYSA-N 0 0 261.243 2.693 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492763888 262234745 /nfs/dbraw/zinc/23/47/45/262234745.db2.gz JSGBYXJIJBGMHZ-PLNGDYQASA-N 0 0 255.321 2.703 20 10 CFCDRN CCC(CC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188907186 262273611 /nfs/dbraw/zinc/27/36/11/262273611.db2.gz ILTGNTKNJYKJIW-UHFFFAOYSA-N 0 0 276.380 2.914 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1 ZINC000934942058 649859967 /nfs/dbraw/zinc/85/99/67/649859967.db2.gz ILBSCTXUGWUHGE-JUFZMCDQSA-N 0 0 289.375 2.699 20 10 CFCDRN COC1(C(=O)NCc2ccccc2O)CCCCCC1 ZINC000934936526 649858511 /nfs/dbraw/zinc/85/85/11/649858511.db2.gz UJJGPHIXCTVEMJ-UHFFFAOYSA-N 0 0 277.364 2.748 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2CCCC2(F)F)c1O ZINC000934941006 649859320 /nfs/dbraw/zinc/85/93/20/649859320.db2.gz UVUHUBVCQKOSGX-LLVKDONJSA-N 0 0 299.317 2.843 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000934945218 649859763 /nfs/dbraw/zinc/85/97/63/649859763.db2.gz XZZURSIJUQUIAM-XYYAHUGASA-N 0 0 275.348 2.540 20 10 CFCDRN CC[C@H](c1ccccc1O)N1CC(F)(F)C[C@H]1CO ZINC000368037696 267140405 /nfs/dbraw/zinc/14/04/05/267140405.db2.gz NMKNGVHHGABUTC-CMPLNLGQSA-N 0 0 271.307 2.545 20 10 CFCDRN CC(C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372491057 267572901 /nfs/dbraw/zinc/57/29/01/267572901.db2.gz AUIFXXKARAPJGJ-GFCCVEGCSA-N 0 0 275.396 2.523 20 10 CFCDRN CCc1occc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373775014 267709744 /nfs/dbraw/zinc/70/97/44/267709744.db2.gz ZNQQRJDIBUIFIH-UHFFFAOYSA-N 0 0 284.359 2.764 20 10 CFCDRN CC1(C)CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000827714456 782041710 /nfs/dbraw/zinc/04/17/10/782041710.db2.gz HIVRDLXCXLIOOR-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000345269569 287724034 /nfs/dbraw/zinc/72/40/34/287724034.db2.gz PYVBBOYDSMLQKV-OLZOCXBDSA-N 0 0 288.391 2.914 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276891082 277745295 /nfs/dbraw/zinc/74/52/95/277745295.db2.gz HQFZWVBFZCSVKI-OKWQPMOJSA-N 0 0 271.307 2.648 20 10 CFCDRN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cccc(Cl)c1[O-] ZINC000286916781 288047164 /nfs/dbraw/zinc/04/71/64/288047164.db2.gz FKNIPIGACZDTPQ-XEGUGMAKSA-N 0 0 299.798 2.626 20 10 CFCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290302281 279372305 /nfs/dbraw/zinc/37/23/05/279372305.db2.gz YYDNFQFALKJNFB-NEPJUHHUSA-N 0 0 295.383 2.680 20 10 CFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)oc2c1C(=O)CCC2 ZINC000269138017 280221269 /nfs/dbraw/zinc/22/12/69/280221269.db2.gz SJXLNIYJANKOMN-UHFFFAOYSA-N 0 0 284.315 2.942 20 10 CFCDRN Cc1cccc2c1N[C@H](c1ccc3c(c1)CCN3C)NC2=O ZINC000130172562 281281335 /nfs/dbraw/zinc/28/13/35/281281335.db2.gz UJBOUDRQZVFBCQ-KRWDZBQOSA-N 0 0 293.370 2.841 20 10 CFCDRN CN(C)CC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000281244255 289099731 /nfs/dbraw/zinc/09/97/31/289099731.db2.gz MBINHAURWYGLFD-UHFFFAOYSA-N 0 0 268.788 2.620 20 10 CFCDRN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)C1 ZINC000295557362 299951109 /nfs/dbraw/zinc/95/11/09/299951109.db2.gz VGDNTEBFFQVOJK-VHSXEESVSA-N 0 0 281.327 2.745 20 10 CFCDRN CN(C(=O)/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000255579943 326996113 /nfs/dbraw/zinc/99/61/13/326996113.db2.gz ABYNYPNWNCHGSJ-FPLPWBNLSA-N 0 0 283.287 2.666 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3ncc(C)cc32)c1 ZINC000255753459 327012782 /nfs/dbraw/zinc/01/27/82/327012782.db2.gz GYSQTHBXYLKWRU-ARJAWSKDSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2cccc(C)n2)s1 ZINC000255839248 327020182 /nfs/dbraw/zinc/02/01/82/327020182.db2.gz AQRIWNHBHCQWOM-FPLPWBNLSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCc3ncnn3C)cc12 ZINC000421202189 329805427 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/nfs/dbraw/zinc/14/88/33/574148833.db2.gz QWVWOGZSSRNRHK-UHFFFAOYSA-N 0 0 288.328 2.591 20 10 CFCDRN CN(Cc1ccsc1)C(=O)C1=CC(=O)CS1 ZINC000732257788 574149602 /nfs/dbraw/zinc/14/96/02/574149602.db2.gz BVGYQHUTNYNPMK-UHFFFAOYSA-N 0 0 253.348 2.787 20 10 CFCDRN CCOc1ccccc1CCNC(=O)C1=CC(=O)CS1 ZINC000732284618 574149854 /nfs/dbraw/zinc/14/98/54/574149854.db2.gz VFBXIPJWQYJRSS-UHFFFAOYSA-N 0 0 291.372 2.825 20 10 CFCDRN CCCCn1nccc1NC(=O)C1=CC(=O)CS1 ZINC000732281475 574149869 /nfs/dbraw/zinc/14/98/69/574149869.db2.gz KWLAPBSTGHFQHT-UHFFFAOYSA-N 0 0 265.338 2.703 20 10 CFCDRN O=C(NC[C@H]1CCOc2ccccc21)C1=CC(=O)CS1 ZINC000732289677 574150440 /nfs/dbraw/zinc/15/04/40/574150440.db2.gz BJHDNUVMNYGVMX-SNVBAGLBSA-N 0 0 289.356 2.750 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732287602 574150473 /nfs/dbraw/zinc/15/04/73/574150473.db2.gz YHIJELPCAMFPEG-MRVPVSSYSA-N 0 0 293.344 2.659 20 10 CFCDRN CCCO[C@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732290669 574150802 /nfs/dbraw/zinc/15/08/02/574150802.db2.gz WGPJKWJRNQWCTO-LBPRGKRZSA-N 0 0 283.393 2.875 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CCC(N(C)C(=O)[O-])CC2)cc1C ZINC000738239791 574161497 /nfs/dbraw/zinc/16/14/97/574161497.db2.gz MDHNVHZRHXNSOR-UHFFFAOYSA-N 0 0 292.379 2.583 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)cc1C ZINC000738464028 574170470 /nfs/dbraw/zinc/17/04/70/574170470.db2.gz XFHYZBUVQWIOOM-AWEZNQCLSA-N 0 0 289.375 2.696 20 10 CFCDRN O=C(NC/C=C/c1ccccc1)C1=CC(=O)CS1 ZINC000733000130 574182478 /nfs/dbraw/zinc/18/24/78/574182478.db2.gz NTRUIDPVTCHJPS-QPJJXVBHSA-N 0 0 259.330 2.897 20 10 CFCDRN O=C(NC/C=C\c1ccccc1)NCc1ccccc1O ZINC000733039483 574184135 /nfs/dbraw/zinc/18/41/35/574184135.db2.gz VNJCEASTFUFYDX-TWGQIWQCSA-N 0 0 282.343 2.905 20 10 CFCDRN Cc1oc(C[N@@H+](C)Cc2ccccc2O)cc1C(=O)[O-] ZINC000738967118 574191464 /nfs/dbraw/zinc/19/14/64/574191464.db2.gz PBHJHENMERCYSW-UHFFFAOYSA-N 0 0 275.304 2.624 20 10 CFCDRN Cc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000747355735 574192340 /nfs/dbraw/zinc/19/23/40/574192340.db2.gz YGYUDHJFADKBLK-UHFFFAOYSA-N 0 0 299.374 2.854 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2O)c1 ZINC000729279118 574195917 /nfs/dbraw/zinc/19/59/17/574195917.db2.gz ZMYRSGJCAKQSLA-SNVBAGLBSA-N 0 0 287.315 2.597 20 10 CFCDRN COC(=O)/C=C\c1ccc(N(C)C(C)C)c([N+](=O)[O-])c1 ZINC000733185736 574207500 /nfs/dbraw/zinc/20/75/00/574207500.db2.gz OTNYNBPELMRQMY-VURMDHGXSA-N 0 0 278.308 2.626 20 10 CFCDRN COc1ccc(CNCc2nnc(C(C)C)s2)c(O)c1 ZINC000756132949 574211696 /nfs/dbraw/zinc/21/16/96/574211696.db2.gz SXQSWQYMUVUEQI-UHFFFAOYSA-N 0 0 293.392 2.666 20 10 CFCDRN CCN(CC(=O)N[C@@H](C)C(C)C)c1ccc(OC)cc1 ZINC000729473371 574218633 /nfs/dbraw/zinc/21/86/33/574218633.db2.gz AGKFVHUFHZEJAU-ZDUSSCGKSA-N 0 0 278.396 2.682 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CC3(CC3)c3ccccc32)cn1 ZINC000739606912 574220380 /nfs/dbraw/zinc/22/03/80/574220380.db2.gz GPCVASYJWOZVEH-VOTSOKGWSA-N 0 0 279.343 2.512 20 10 CFCDRN CCOc1ccc(N(C)Cc2cnc(C)nc2)cc1 ZINC000739923455 574229627 /nfs/dbraw/zinc/22/96/27/574229627.db2.gz GLBOTZNWEZNWQG-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000756386575 574232273 /nfs/dbraw/zinc/23/22/73/574232273.db2.gz YGZZGXGRILNIOG-RNCFNFMXSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@@H]([NH2+]C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756433455 574236591 /nfs/dbraw/zinc/23/65/91/574236591.db2.gz NYCPCRJVWIEPDL-MRVPVSSYSA-N 0 0 257.280 2.500 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756450257 574238012 /nfs/dbraw/zinc/23/80/12/574238012.db2.gz RYZPFOGMBPYYMT-KOLCDFICSA-N 0 0 273.323 2.728 20 10 CFCDRN Cc1noc(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756461864 574238937 /nfs/dbraw/zinc/23/89/37/574238937.db2.gz WMESPGHPQRPHGT-MRVPVSSYSA-N 0 0 291.307 2.756 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000756482817 574240767 /nfs/dbraw/zinc/24/07/67/574240767.db2.gz MERCFGKQBFSMIN-MNOVXSKESA-N 0 0 277.364 2.876 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(F)cc1[O-] ZINC000756492787 574241117 /nfs/dbraw/zinc/24/11/17/574241117.db2.gz AKIKDVUGQPJXMC-WDEREUQCSA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756494807 574241238 /nfs/dbraw/zinc/24/12/38/574241238.db2.gz NZEFEPCLVXTLQK-UWVGGRQHSA-N 0 0 293.317 2.742 20 10 CFCDRN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536897 574244283 /nfs/dbraw/zinc/24/42/83/574244283.db2.gz XEWLESMKFQKROK-NWDGAFQWSA-N 0 0 295.383 2.681 20 10 CFCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756530483 574244467 /nfs/dbraw/zinc/24/44/67/574244467.db2.gz YSEZUKMBIHVNPO-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1ccc(C(=O)OC[C@H](C)C(F)(F)F)c(O)c1O ZINC000748270327 574244596 /nfs/dbraw/zinc/24/45/96/574244596.db2.gz IIFMWTYXJWVKSB-ZETCQYMHSA-N 0 0 278.226 2.761 20 10 CFCDRN COc1cccc([C@@H](C)C(=O)NCc2ccccc2O)c1 ZINC000748345893 574247861 /nfs/dbraw/zinc/24/78/61/574247861.db2.gz FZOCQEKOJYZDFN-GFCCVEGCSA-N 0 0 285.343 2.821 20 10 CFCDRN CCc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756575525 574249565 /nfs/dbraw/zinc/24/95/65/574249565.db2.gz VHOJZXOMCZCPGM-QMMMGPOBSA-N 0 0 281.306 2.807 20 10 CFCDRN CCCCOC(=O)CN(C)c1ccc(OCC)cc1 ZINC000740423508 574249779 /nfs/dbraw/zinc/24/97/79/574249779.db2.gz KUBCDVISVVSBDA-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756579143 574250109 /nfs/dbraw/zinc/25/01/09/574250109.db2.gz ZGWJGZQBKBPNKC-PGUXBMHVSA-N 0 0 269.360 2.979 20 10 CFCDRN CCc1cc(NC(=O)N(C)Cc2ccccc2O)no1 ZINC000740463040 574250208 /nfs/dbraw/zinc/25/02/08/574250208.db2.gz FNGIRMSMDNGZBL-UHFFFAOYSA-N 0 0 275.308 2.607 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756597022 574251241 /nfs/dbraw/zinc/25/12/41/574251241.db2.gz IZHASJMOQBSENL-SMDDNHRTSA-N 0 0 295.379 2.500 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756603317 574252012 /nfs/dbraw/zinc/25/20/12/574252012.db2.gz BCHJEDHORYFAPQ-ZANVPECISA-N 0 0 297.301 2.956 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000756628036 574253177 /nfs/dbraw/zinc/25/31/77/574253177.db2.gz KHEXOHGQFIVLSL-RYUDHWBXSA-N 0 0 266.360 2.524 20 10 CFCDRN COC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000730107619 574253601 /nfs/dbraw/zinc/25/36/01/574253601.db2.gz OXBUTDRFLWZOLT-UHFFFAOYSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748463550 574253863 /nfs/dbraw/zinc/25/38/63/574253863.db2.gz VSUNFLZEBVEPFA-CYBMUJFWSA-N 0 0 284.359 2.995 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756644306 574254806 /nfs/dbraw/zinc/25/48/06/574254806.db2.gz FBBIXTVWSUXQKN-HZMBPMFUSA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756647225 574255209 /nfs/dbraw/zinc/25/52/09/574255209.db2.gz RPTTUWMCFQPSSM-LKFCYVNXSA-N 0 0 271.307 2.890 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000756646667 574255286 /nfs/dbraw/zinc/25/52/86/574255286.db2.gz CBJWJLGCVQIXSV-QMMMGPOBSA-N 0 0 291.269 2.782 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000756650659 574255713 /nfs/dbraw/zinc/25/57/13/574255713.db2.gz OAZFUKMRZHRHBN-ZYHUDNBSSA-N 0 0 295.404 2.725 20 10 CFCDRN CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)nc1 ZINC000756654800 574256031 /nfs/dbraw/zinc/25/60/31/574256031.db2.gz MVHGWDKNKBEEDG-UHFFFAOYSA-N 0 0 286.331 2.845 20 10 CFCDRN Cc1noc(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756683173 574257311 /nfs/dbraw/zinc/25/73/11/574257311.db2.gz GICXUTPAPNIFBJ-MRVPVSSYSA-N 0 0 297.305 2.645 20 10 CFCDRN CCc1nc(C)c(C(=O)NCc2ccccc2O)s1 ZINC000748569540 574258587 /nfs/dbraw/zinc/25/85/87/574258587.db2.gz VRHGCZXVNHSOSV-UHFFFAOYSA-N 0 0 276.361 2.650 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768987 574261389 /nfs/dbraw/zinc/26/13/89/574261389.db2.gz CNPZRERLBSMBBQ-LLVKDONJSA-N 0 0 296.367 2.750 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756784968 574262892 /nfs/dbraw/zinc/26/28/92/574262892.db2.gz RDEOFAAYMQDVCW-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN O=C(NCCC1Cc2ccccc2C1)C1=CC(=O)CS1 ZINC000756807720 574264600 /nfs/dbraw/zinc/26/46/00/574264600.db2.gz BGVWOVDWRGMMHL-UHFFFAOYSA-N 0 0 287.384 2.989 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000740740608 574264825 /nfs/dbraw/zinc/26/48/25/574264825.db2.gz XJDAQHQUKTZNRJ-KRWDZBQOSA-N 0 0 280.371 2.709 20 10 CFCDRN C[C@@H]([NH2+]CCOC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000756838358 574266755 /nfs/dbraw/zinc/26/67/55/574266755.db2.gz MFPFKJYXKHXMDF-SECBINFHSA-N 0 0 271.307 2.890 20 10 CFCDRN COc1ccc(O)c(CNc2cc(C(C)C)ncn2)c1 ZINC000733994508 574267758 /nfs/dbraw/zinc/26/77/58/574267758.db2.gz LWTMHAZYEAPXBM-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN CCc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000748829878 574270675 /nfs/dbraw/zinc/27/06/75/574270675.db2.gz QVXXICQFAKENDO-UHFFFAOYSA-N 0 0 298.386 2.951 20 10 CFCDRN Cc1nc(COC(=O)c2ccc(C)c(O)c2O)cs1 ZINC000740957694 574275800 /nfs/dbraw/zinc/27/58/00/574275800.db2.gz IPWALSLQLNLGAL-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)sn1 ZINC000749115874 574280866 /nfs/dbraw/zinc/28/08/66/574280866.db2.gz UOFNJAMXXIRGHZ-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN CCCCNC(=S)NCc1ccc(N(C)C)cc1C ZINC000734384646 574285750 /nfs/dbraw/zinc/28/57/50/574285750.db2.gz JUTHKCPHMVSAHT-UHFFFAOYSA-N 0 0 279.453 2.825 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000749296308 574288297 /nfs/dbraw/zinc/28/82/97/574288297.db2.gz OHEKKXFPNBHRSA-LLVKDONJSA-N 0 0 287.319 2.589 20 10 CFCDRN CO[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000749483618 574297597 /nfs/dbraw/zinc/29/75/97/574297597.db2.gz KENUMHFTMMMKRO-ZDUSSCGKSA-N 0 0 290.407 2.669 20 10 CFCDRN CCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000749531383 574299404 /nfs/dbraw/zinc/29/94/04/574299404.db2.gz SFIAQNDSHCPENP-JTQLQIEISA-N 0 0 263.337 2.768 20 10 CFCDRN CCCOC(=O)[C@H](C)N1CCCc2cc(OC)ccc21 ZINC000741774534 574301709 /nfs/dbraw/zinc/30/17/09/574301709.db2.gz DIZSKKVQWPVHJU-LBPRGKRZSA-N 0 0 277.364 2.790 20 10 CFCDRN CCCOC(=O)[C@H](C)N(C)c1ccc(OCC)cc1 ZINC000741794704 574304529 /nfs/dbraw/zinc/30/45/29/574304529.db2.gz JIDYADKIFXUMPU-LBPRGKRZSA-N 0 0 265.353 2.863 20 10 CFCDRN Cc1ccncc1C(=O)NCCCSc1nccs1 ZINC000742074069 574315028 /nfs/dbraw/zinc/31/50/28/574315028.db2.gz DRPHMGXGXGBVMC-UHFFFAOYSA-N 0 0 293.417 2.759 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2cc[nH]n2)c1O ZINC000750045770 574322106 /nfs/dbraw/zinc/32/21/06/574322106.db2.gz WAXYPUWEBPCZQV-UHFFFAOYSA-N 0 0 293.754 2.603 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(C)n1 ZINC000742407611 574328560 /nfs/dbraw/zinc/32/85/60/574328560.db2.gz JCMKFEINAKPRQF-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2C)c1 ZINC000750236273 574331144 /nfs/dbraw/zinc/33/11/44/574331144.db2.gz OFIWFFALYODBCV-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2ccco2)c1 ZINC000743337661 574358666 /nfs/dbraw/zinc/35/86/66/574358666.db2.gz YLSOAVJEOFNPGW-GHMZBOCLSA-N 0 0 289.331 2.975 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C(F)(F)F)c1 ZINC000743337574 574358879 /nfs/dbraw/zinc/35/88/79/574358879.db2.gz WWBIUKKQMIEYLR-JGVFFNPUSA-N 0 0 291.269 2.776 20 10 CFCDRN CCN(CC)c1ccc(CNc2nccn3cnnc23)cc1 ZINC000743460950 574365845 /nfs/dbraw/zinc/36/58/45/574365845.db2.gz UAEJMLLDMJBYAT-UHFFFAOYSA-N 0 0 296.378 2.583 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCOCC1CC1 ZINC000751388654 574376246 /nfs/dbraw/zinc/37/62/46/574376246.db2.gz DDSXNQVIKIHCMU-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CN1CCc2cc([C@H]3Nc4cc(F)ccc4C(=O)N3)ccc21 ZINC000751523649 574378317 /nfs/dbraw/zinc/37/83/17/574378317.db2.gz GEURCNNDZVXKAG-INIZCTEOSA-N 0 0 297.333 2.672 20 10 CFCDRN CC1CC(NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000752858823 574395701 /nfs/dbraw/zinc/39/57/01/574395701.db2.gz 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/nfs/dbraw/zinc/89/25/21/601892521.db2.gz PBPRVMYGKQISOY-KRWDZBQOSA-N 0 0 285.343 2.842 20 10 CFCDRN CC[C@@H](O)[C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000900399720 620669708 /nfs/dbraw/zinc/66/97/08/620669708.db2.gz HVEYPSFDGWVIJI-XJKSGUPXSA-N 0 0 292.423 2.508 20 10 CFCDRN CCC[N@H+](CC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000829475788 604473369 /nfs/dbraw/zinc/47/33/69/604473369.db2.gz CJUJKIKEKBKAOU-UHFFFAOYSA-N 0 0 290.407 2.974 20 10 CFCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000405364540 604649310 /nfs/dbraw/zinc/64/93/10/604649310.db2.gz SKFFBNLREPYNID-LBPRGKRZSA-N 0 0 295.766 2.732 20 10 CFCDRN COc1cccc(COC(=O)c2ccc(C)c(O)c2O)c1 ZINC000110000719 634381440 /nfs/dbraw/zinc/38/14/40/634381440.db2.gz QUMIRDMYKBLFFJ-UHFFFAOYSA-N 0 0 288.299 2.772 20 10 CFCDRN C[C@H](C[N@H+](Cc1cc(Cl)ccc1O)C1CC1)C(=O)[O-] ZINC000833516395 605750505 /nfs/dbraw/zinc/75/05/05/605750505.db2.gz MMFJBXJYYLZKLM-SECBINFHSA-N 0 0 283.755 2.731 20 10 CFCDRN 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CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893898758 619237248 /nfs/dbraw/zinc/23/72/48/619237248.db2.gz ZICFZBSMPYIERO-OCCSQVGLSA-N 0 0 279.380 2.709 20 10 CFCDRN Nc1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000070506159 625331954 /nfs/dbraw/zinc/33/19/54/625331954.db2.gz OCLMCHMLLZPMEX-UHFFFAOYSA-N 0 0 259.353 2.923 20 10 CFCDRN CCCC1(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841856084 619338342 /nfs/dbraw/zinc/33/83/42/619338342.db2.gz GMBVWINLTBAFDD-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOCC1 ZINC000048608163 619360724 /nfs/dbraw/zinc/36/07/24/619360724.db2.gz ATCRTASGVRSEKE-UHFFFAOYSA-N 0 0 290.388 2.628 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000894445254 619387508 /nfs/dbraw/zinc/38/75/08/619387508.db2.gz PEBOZQYDMPVQFN-GFCCVEGCSA-N 0 0 297.345 2.919 20 10 CFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1c[nH]cn1 ZINC000894462300 619392254 /nfs/dbraw/zinc/39/22/54/619392254.db2.gz UTZJJVAKTCLRFL-UHFFFAOYSA-N 0 0 279.290 2.964 20 10 CFCDRN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783405 619466522 /nfs/dbraw/zinc/46/65/22/619466522.db2.gz TUWKAOSLYFVHIU-LBPRGKRZSA-N 0 0 273.323 2.509 20 10 CFCDRN N#Cc1ccsc1NC(=O)CSc1nccs1 ZINC000048874379 619479602 /nfs/dbraw/zinc/47/96/02/619479602.db2.gz DXVFWJRXTGXZQQ-UHFFFAOYSA-N 0 0 281.387 2.807 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000894903657 619508357 /nfs/dbraw/zinc/50/83/57/619508357.db2.gz AWDMBVDQUSRAEI-CYBMUJFWSA-N 0 0 285.359 2.998 20 10 CFCDRN CC[C@H](C)CONC(=O)NCc1cccc(Cl)c1O ZINC000895013618 619526351 /nfs/dbraw/zinc/52/63/51/619526351.db2.gz VRBIBFIACVQTCX-VIFPVBQESA-N 0 0 286.759 2.823 20 10 CFCDRN CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895483942 619541731 /nfs/dbraw/zinc/54/17/31/619541731.db2.gz UOWHYCGRXFMKQU-UHFFFAOYSA-N 0 0 265.334 2.842 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895723226 619591355 /nfs/dbraw/zinc/59/13/55/619591355.db2.gz RSNSGRPXQVEMJE-APPZFPTMSA-N 0 0 277.345 2.698 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895723229 619591482 /nfs/dbraw/zinc/59/14/82/619591482.db2.gz RSNSGRPXQVEMJE-VXNVDRBHSA-N 0 0 277.345 2.698 20 10 CFCDRN Cc1cc(O)c(CN2CCc3ncncc3C2)cc1Cl ZINC000895724391 619592026 /nfs/dbraw/zinc/59/20/26/619592026.db2.gz OYVCTUVYSUTYNO-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc(F)c1F ZINC000895841349 619616433 /nfs/dbraw/zinc/61/64/33/619616433.db2.gz BSNIVBMPHRVPDT-GXFFZTMASA-N 0 0 283.318 2.671 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(C3(O)CCC3)CCC2)ccc(F)c1F ZINC000895868597 619626563 /nfs/dbraw/zinc/62/65/63/619626563.db2.gz QDUACEGZUHSZKM-UHFFFAOYSA-N 0 0 297.345 2.845 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C3CC3)CC2)c1 ZINC000896162737 619684032 /nfs/dbraw/zinc/68/40/32/619684032.db2.gz GXQHLEISTQGCGY-JTQLQIEISA-N 0 0 275.348 2.768 20 10 CFCDRN Oc1cccc(F)c1CNCc1cnc(C2CC2)o1 ZINC000896644453 619778297 /nfs/dbraw/zinc/77/82/97/619778297.db2.gz WLIHOQJSLWPUDZ-UHFFFAOYSA-N 0 0 262.284 2.687 20 10 CFCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1c([O-])cccc1F)OC ZINC000896638092 619780597 /nfs/dbraw/zinc/78/05/97/619780597.db2.gz OLPSKWYTQWNGQP-IINYFYTJSA-N 0 0 255.333 2.682 20 10 CFCDRN CC(C)Cn1nccc1C[NH2+]Cc1c([O-])cccc1F ZINC000896638828 619781120 /nfs/dbraw/zinc/78/11/20/619781120.db2.gz RBHZCHYQJCAAMQ-UHFFFAOYSA-N 0 0 277.343 2.674 20 10 CFCDRN Oc1cccc(F)c1CNCc1cc(C2CC2)no1 ZINC000896641632 619781984 /nfs/dbraw/zinc/78/19/84/619781984.db2.gz OCIRNNUCHQRVKH-UHFFFAOYSA-N 0 0 262.284 2.687 20 10 CFCDRN Oc1ccccc1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896934097 619897671 /nfs/dbraw/zinc/89/76/71/619897671.db2.gz IFGLAIXQISOUBT-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN C[C@H](CO)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000121307280 619972699 /nfs/dbraw/zinc/97/26/99/619972699.db2.gz QHPORQRQEKBGGW-JTQLQIEISA-N 0 0 289.297 2.966 20 10 CFCDRN O=C(/C=C\C1CCCC1)NCc1c(O)cccc1F ZINC000928706594 619995941 /nfs/dbraw/zinc/99/59/41/619995941.db2.gz RIHSJPYDUMODIF-HJWRWDBZSA-N 0 0 263.312 2.894 20 10 CFCDRN Cc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1O ZINC000840997880 620116499 /nfs/dbraw/zinc/11/64/99/620116499.db2.gz SINJKCNTFBBSJA-SNPRPXQTSA-N 0 0 289.375 2.918 20 10 CFCDRN CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840997798 620116584 /nfs/dbraw/zinc/11/65/84/620116584.db2.gz HNPJQJFKGYOYAS-AATRIKPKSA-N 0 0 276.380 2.562 20 10 CFCDRN CC(C)(C)OC(=O)CC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000888153452 620147187 /nfs/dbraw/zinc/14/71/87/620147187.db2.gz FVPVKKOAMOJLRX-UHFFFAOYSA-N 0 0 299.392 2.694 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897534316 620221450 /nfs/dbraw/zinc/22/14/50/620221450.db2.gz RMFYEJJULUTMHA-QMTHXVAHSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1sccc1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000786704266 620258899 /nfs/dbraw/zinc/25/88/99/620258899.db2.gz SSJDORHMEZNPIX-UHFFFAOYSA-N 0 0 288.416 2.981 20 10 CFCDRN C[C@@H]1[C@@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897853916 620294598 /nfs/dbraw/zinc/29/45/98/620294598.db2.gz PZWWKMHCJZNRRC-JGVFFNPUSA-N 0 0 277.345 2.793 20 10 CFCDRN C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000897964560 620313647 /nfs/dbraw/zinc/31/36/47/620313647.db2.gz GBCIOENRSGLSLN-JTQLQIEISA-N 0 0 278.302 2.786 20 10 CFCDRN CC1(C)CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000898048925 620321637 /nfs/dbraw/zinc/32/16/37/620321637.db2.gz FSBZABQZGOHBNI-ZDUSSCGKSA-N 0 0 294.351 2.738 20 10 CFCDRN Oc1ccc(F)cc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898091912 620331969 /nfs/dbraw/zinc/33/19/69/620331969.db2.gz DPBXTTDUIDALQN-ZDUSSCGKSA-N 0 0 291.326 2.691 20 10 CFCDRN CCCn1nccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898214334 620346368 /nfs/dbraw/zinc/34/63/68/620346368.db2.gz AHKIQFJJYYQYRK-UHFFFAOYSA-N 0 0 279.771 2.942 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nccn1C1CC1 ZINC000898215577 620346669 /nfs/dbraw/zinc/34/66/69/620346669.db2.gz NZYXLXBKGSHINO-UHFFFAOYSA-N 0 0 277.755 2.867 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cncs1 ZINC000898224001 620358162 /nfs/dbraw/zinc/35/81/62/620358162.db2.gz MBSJVUSCJDLHMW-JTQLQIEISA-N 0 0 291.376 2.751 20 10 CFCDRN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)N1Cc2cccc(O)c2C1 ZINC000898259823 620359357 /nfs/dbraw/zinc/35/93/57/620359357.db2.gz SEVBJCSTUXYQPA-MPKXVKKWSA-N 0 0 272.348 2.606 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000898259919 620359767 /nfs/dbraw/zinc/35/97/67/620359767.db2.gz UQWCFPOSMOWPGP-KWCYVHTRSA-N 0 0 274.364 2.688 20 10 CFCDRN COc1ccc(N(CC[S@@](C)=O)[C@@H](C)C2CC2)cc1 ZINC000787728121 620415986 /nfs/dbraw/zinc/41/59/86/620415986.db2.gz BSRTWKUQLAFVMA-HXPMCKFVSA-N 0 0 281.421 2.679 20 10 CFCDRN C[C@@H](NC(=O)NC/C=C/Cl)c1ccccc1O ZINC000899031817 620516607 /nfs/dbraw/zinc/51/66/07/620516607.db2.gz JIMVLVTWLQBXMI-ILFKPUCNSA-N 0 0 254.717 2.505 20 10 CFCDRN Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000899181412 620528543 /nfs/dbraw/zinc/52/85/43/620528543.db2.gz BXEPRSMRUFPREI-GFCCVEGCSA-N 0 0 287.363 2.510 20 10 CFCDRN C[C@@H]1CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899199395 620530276 /nfs/dbraw/zinc/53/02/76/620530276.db2.gz DHZZFIXZOJUXQK-SSDOTTSWSA-N 0 0 263.318 2.547 20 10 CFCDRN COC/C(C)=C/CSc1ncc(C(=O)OC)s1 ZINC000901570643 620866372 /nfs/dbraw/zinc/86/63/72/620866372.db2.gz OTWZJMLMRKGACT-XBXARRHUSA-N 0 0 273.379 2.615 20 10 CFCDRN COCCOCCOCCSc1ncc(Cl)s1 ZINC000901584205 620869344 /nfs/dbraw/zinc/86/93/44/620869344.db2.gz YPDITURUWCKMHF-UHFFFAOYSA-N 0 0 297.829 2.568 20 10 CFCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1OC ZINC000901703126 620898728 /nfs/dbraw/zinc/89/87/28/620898728.db2.gz BPGKYTWBPTWSQP-NSHDSACASA-N 0 0 287.381 2.721 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cnc(C2CC2)nc1 ZINC000902090706 620976566 /nfs/dbraw/zinc/97/65/66/620976566.db2.gz QWVBTBLSDGZZEE-UHFFFAOYSA-N 0 0 277.274 2.950 20 10 CFCDRN C[C@@H]([NH2+]CCCON)c1cc(Cl)c(Cl)cc1[O-] ZINC000902423872 621073920 /nfs/dbraw/zinc/07/39/20/621073920.db2.gz ISQCFONGSKNIPO-SSDOTTSWSA-N 0 0 279.167 2.630 20 10 CFCDRN C[C@H](NCc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488080 621112568 /nfs/dbraw/zinc/11/25/68/621112568.db2.gz JNKYFTQNDZXQIV-JTQLQIEISA-N 0 0 276.409 2.642 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(F)cc1[O-] ZINC000903302306 621317104 /nfs/dbraw/zinc/31/71/04/621317104.db2.gz YTWZXQDLUGGTKO-SWHYSGLUSA-N 0 0 266.360 2.665 20 10 CFCDRN COc1cccc([C@H](C)N[C@@H](c2ncccn2)C2CC2)c1O ZINC000903322242 621322754 /nfs/dbraw/zinc/32/27/54/621322754.db2.gz HGAIPLGJCJOTAY-XHDPSFHLSA-N 0 0 299.374 2.993 20 10 CFCDRN COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000903332050 621341697 /nfs/dbraw/zinc/34/16/97/621341697.db2.gz PGGNZQUWTUXYJV-VHSXEESVSA-N 0 0 255.333 2.995 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1c([O-])cccc1F ZINC000903403931 621369851 /nfs/dbraw/zinc/36/98/51/621369851.db2.gz WCHRAISGGYOMLQ-LBPRGKRZSA-N 0 0 289.350 2.917 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccc2nccn21 ZINC000183390411 625484766 /nfs/dbraw/zinc/48/47/66/625484766.db2.gz IKPIJRCNCUYLQK-UHFFFAOYSA-N 0 0 279.343 2.906 20 10 CFCDRN CCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183439686 625492519 /nfs/dbraw/zinc/49/25/19/625492519.db2.gz VSDWGAKWMJENKL-JTQLQIEISA-N 0 0 265.353 2.581 20 10 CFCDRN Nc1ccc(Cc2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)cc1 ZINC000904503001 621602863 /nfs/dbraw/zinc/60/28/63/621602863.db2.gz CXLVBIPRHLQXFN-GJZGRUSLSA-N 0 0 299.374 2.743 20 10 CFCDRN CCCCCNC(=O)NCc1c(O)cccc1F ZINC000905147917 621711108 /nfs/dbraw/zinc/71/11/08/621711108.db2.gz KJHVTNNGSQDGRN-UHFFFAOYSA-N 0 0 254.305 2.521 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nnc([C@@H]2CCCO2)o1 ZINC000905408000 621760540 /nfs/dbraw/zinc/76/05/40/621760540.db2.gz LUTUHXFSBUGLMU-JTQLQIEISA-N 0 0 297.261 2.517 20 10 CFCDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000905695270 621829146 /nfs/dbraw/zinc/82/91/46/621829146.db2.gz MUSLUWOUSYUDGX-CQSZACIVSA-N 0 0 299.370 2.740 20 10 CFCDRN CC(F)(F)CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000905825369 621878000 /nfs/dbraw/zinc/87/80/00/621878000.db2.gz JCQBITHPSKURHI-UHFFFAOYSA-N 0 0 296.321 2.875 20 10 CFCDRN CCCc1nc(C)c(CNC(=O)C2=CC(=O)CS2)o1 ZINC000832810519 625524230 /nfs/dbraw/zinc/52/42/30/625524230.db2.gz DWHSBORFNMSAFR-UHFFFAOYSA-N 0 0 280.349 2.633 20 10 CFCDRN C[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000906112032 621932127 /nfs/dbraw/zinc/93/21/27/621932127.db2.gz SNBRXZHQCZBLBZ-ZHRWSRJISA-N 0 0 299.349 2.798 20 10 CFCDRN CC[C@@H](C)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000183799512 625542854 /nfs/dbraw/zinc/54/28/54/625542854.db2.gz DCVAYCVNKQBPLM-GFCCVEGCSA-N 0 0 265.353 2.721 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)OCCCF ZINC000908329106 622220591 /nfs/dbraw/zinc/22/05/91/622220591.db2.gz PBBPONXLVIUHKI-UHFFFAOYSA-N 0 0 261.680 2.631 20 10 CFCDRN CC(C)(C)CCCC(=O)NCc1ccc(O)cc1O ZINC000910954808 622489316 /nfs/dbraw/zinc/48/93/16/622489316.db2.gz MNRCLUDVEQIWIW-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910950820 622489354 /nfs/dbraw/zinc/48/93/54/622489354.db2.gz JQUYZVWMUNRNIQ-QWRGUYRKSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)c1 ZINC000910955454 622489789 /nfs/dbraw/zinc/48/97/89/622489789.db2.gz FMXRMQUDCUUAHK-JKSUJKDBSA-N 0 0 297.354 2.826 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C[C@@H]1C ZINC000910944938 622491758 /nfs/dbraw/zinc/49/17/58/622491758.db2.gz PYRZSEZDRIKZSY-WOPDTQHZSA-N 0 0 277.364 2.786 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000911660904 622531644 /nfs/dbraw/zinc/53/16/44/622531644.db2.gz OHTFNDWRTJNPDB-ZIAGYGMSSA-N 0 0 260.337 2.555 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H](O)C2CCCCCCC2)cc1 ZINC000911661870 622532317 /nfs/dbraw/zinc/53/23/17/622532317.db2.gz YYTOFLHSYMSKJQ-HNNXBMFYSA-N 0 0 276.380 2.929 20 10 CFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000911782480 622551041 /nfs/dbraw/zinc/55/10/41/622551041.db2.gz JRTWFGHJZPEDJB-XKVFNRALSA-N 0 0 272.392 2.610 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3cc(C)ncn3)C2)cc1 ZINC000819935005 622576417 /nfs/dbraw/zinc/57/64/17/622576417.db2.gz JFROCJYRKCLZCN-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN C=C=CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000820189604 622623106 /nfs/dbraw/zinc/62/31/06/622623106.db2.gz INTGNQPMFZRACP-UHFFFAOYSA-N 0 0 267.332 2.560 20 10 CFCDRN C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820198037 622626275 /nfs/dbraw/zinc/62/62/75/622626275.db2.gz VVHJJVBCGBKOCZ-VHSXEESVSA-N 0 0 274.324 2.720 20 10 CFCDRN CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000820243956 622634647 /nfs/dbraw/zinc/63/46/47/622634647.db2.gz BMRYGKCWYKLZKE-UHFFFAOYSA-N 0 0 274.324 2.767 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000833962756 625583164 /nfs/dbraw/zinc/58/31/64/625583164.db2.gz QMLHNAUACPHDKS-AOOOYVTPSA-N 0 0 251.351 2.716 20 10 CFCDRN CCOc1ccc(N(C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000150732171 622718495 /nfs/dbraw/zinc/71/84/95/622718495.db2.gz RQDUOTDWOUFKGS-UHFFFAOYSA-N 0 0 284.359 2.821 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)N2CCCCC2)cc1 ZINC000150734284 622718971 /nfs/dbraw/zinc/71/89/71/622718971.db2.gz NMORVDYGSLBPOW-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CC(C)(C)c1nc(C(=O)NCc2ccccc2O)co1 ZINC000821061354 622836273 /nfs/dbraw/zinc/83/62/73/622836273.db2.gz UZVSOQONVKCRMZ-UHFFFAOYSA-N 0 0 274.320 2.608 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=CC12CCCC2 ZINC000913202617 622847670 /nfs/dbraw/zinc/84/76/70/622847670.db2.gz IYVQJQUQJNSPBI-FNORWQNLSA-N 0 0 285.343 2.822 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1F ZINC000840439354 622876416 /nfs/dbraw/zinc/87/64/16/622876416.db2.gz LLYSZMICHIVNMD-CHWSQXEVSA-N 0 0 280.343 2.814 20 10 CFCDRN Cc1ccc(CNC(=O)CSc2nccs2)cc1F ZINC000055094953 622933262 /nfs/dbraw/zinc/93/32/62/622933262.db2.gz MXAOPTHPJOTSME-UHFFFAOYSA-N 0 0 296.392 2.999 20 10 CFCDRN Cn1cccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156343815 622934703 /nfs/dbraw/zinc/93/47/03/622934703.db2.gz CNVAFJAHBCAPAR-UHFFFAOYSA-N 0 0 284.359 2.540 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC2(C)C)c1 ZINC000156441094 622941257 /nfs/dbraw/zinc/94/12/57/622941257.db2.gz OECMYCPKGHJOOW-JOYOIKCWSA-N 0 0 263.337 2.624 20 10 CFCDRN C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000156576460 622947687 /nfs/dbraw/zinc/94/76/87/622947687.db2.gz VDOMUZYLYBHJOK-QBFSEMIESA-N 0 0 297.354 2.860 20 10 CFCDRN COCCOCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164477794 622957622 /nfs/dbraw/zinc/95/76/22/622957622.db2.gz RDXUPUBEQNCWJA-UHFFFAOYSA-N 0 0 287.787 2.578 20 10 CFCDRN CCC[C@@H](CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000821806436 622980628 /nfs/dbraw/zinc/98/06/28/622980628.db2.gz BPVRKYVNSVMELY-DGCLKSJQSA-N 0 0 279.380 2.971 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(F)c1 ZINC000045608162 622990601 /nfs/dbraw/zinc/99/06/01/622990601.db2.gz DFRWSMQZLXZOID-UHFFFAOYSA-N 0 0 288.322 2.873 20 10 CFCDRN COc1ccc(C(=O)Nc2ccc(N)cc2)c(F)c1 ZINC000224170639 622998489 /nfs/dbraw/zinc/99/84/89/622998489.db2.gz GDWDKOKRYDLOOK-UHFFFAOYSA-N 0 0 260.268 2.669 20 10 CFCDRN Oc1ccccc1CNCc1ncc(Cl)s1 ZINC000225335614 623035442 /nfs/dbraw/zinc/03/54/42/623035442.db2.gz LAIQSELVDDMZST-UHFFFAOYSA-N 0 0 254.742 2.792 20 10 CFCDRN CC(C)CCSCC(=O)Nc1ccc(N)cc1 ZINC000226132340 623059081 /nfs/dbraw/zinc/05/90/81/623059081.db2.gz RZUDSKMUSNKVLB-UHFFFAOYSA-N 0 0 252.383 2.987 20 10 CFCDRN COCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000046463713 623079984 /nfs/dbraw/zinc/07/99/84/623079984.db2.gz IIPCTBMETKQFRW-UHFFFAOYSA-N 0 0 286.375 2.779 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(F)F ZINC000822422574 623100882 /nfs/dbraw/zinc/10/08/82/623100882.db2.gz DAOGJWXJWIDCRL-CYBMUJFWSA-N 0 0 284.306 2.579 20 10 CFCDRN Cc1oc(C)c(C(=O)NCc2ccc(N)cc2)c1C ZINC000087197638 623127559 /nfs/dbraw/zinc/12/75/59/623127559.db2.gz GUNUYJHQIKCECL-UHFFFAOYSA-N 0 0 258.321 2.717 20 10 CFCDRN COc1cc(N(C)C[C@H](OC)C2CC2)cc(OC)c1OC ZINC000822639787 623141062 /nfs/dbraw/zinc/14/10/62/623141062.db2.gz FQZVAVPDEQWICN-HNNXBMFYSA-N 0 0 295.379 2.574 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC12CC2 ZINC000822717849 623159192 /nfs/dbraw/zinc/15/91/92/623159192.db2.gz QUAKFFAWRUJBBX-OAHLLOKOSA-N 0 0 285.391 2.639 20 10 CFCDRN Fc1cccnc1CNC(=S)Nc1ccccc1 ZINC000170295383 623161839 /nfs/dbraw/zinc/16/18/39/623161839.db2.gz VFODZXFRRRWMLK-UHFFFAOYSA-N 0 0 261.325 2.707 20 10 CFCDRN C[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000229007408 623173800 /nfs/dbraw/zinc/17/38/00/623173800.db2.gz HHRXRKKYEQZFNY-LBPRGKRZSA-N 0 0 255.317 2.812 20 10 CFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC1(F)F ZINC000822818876 623182100 /nfs/dbraw/zinc/18/21/00/623182100.db2.gz JQJHYUONTLKGKO-AWEZNQCLSA-N 0 0 294.345 2.948 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C)c1 ZINC000170995094 623198183 /nfs/dbraw/zinc/19/81/83/623198183.db2.gz ZQWKOUPPNKVMQO-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ccoc2)c1[O-] ZINC000171128402 623206667 /nfs/dbraw/zinc/20/66/67/623206667.db2.gz PHPOXCMXXQGQDP-UHFFFAOYSA-N 0 0 282.683 2.837 20 10 CFCDRN CCCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000171728824 623240171 /nfs/dbraw/zinc/24/01/71/623240171.db2.gz UNNUCDRUBBMYKO-NSHDSACASA-N 0 0 280.368 2.951 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C2CC2)c1 ZINC000171729406 623240327 /nfs/dbraw/zinc/24/03/27/623240327.db2.gz OEONJOYMVUINFW-VHSXEESVSA-N 0 0 278.352 2.560 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)C=CCC1 ZINC000823180884 623255102 /nfs/dbraw/zinc/25/51/02/623255102.db2.gz HPSQGLLAWKWPAS-QGZVFWFLSA-N 0 0 282.343 2.913 20 10 CFCDRN CC(C)[C@H](NC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000823214913 623264751 /nfs/dbraw/zinc/26/47/51/623264751.db2.gz IUIKAMASOUFMAP-HNNXBMFYSA-N 0 0 276.380 2.968 20 10 CFCDRN CC(C)[C@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC000172500158 623283009 /nfs/dbraw/zinc/28/30/09/623283009.db2.gz WQIVXECVODOZNP-GFCCVEGCSA-N 0 0 264.369 2.826 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCCCSc1nccs1 ZINC000823297838 623287838 /nfs/dbraw/zinc/28/78/38/623287838.db2.gz JBHCTPLSXBVCHO-NXEZZACHSA-N 0 0 270.423 2.788 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000230672466 623290360 /nfs/dbraw/zinc/29/03/60/623290360.db2.gz ITXVHBWAFGIBLX-WDEREUQCSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(F)cc1[O-] 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CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635841 623536594 /nfs/dbraw/zinc/53/65/94/623536594.db2.gz JOKVYNOXXBRARW-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000824636097 623536752 /nfs/dbraw/zinc/53/67/52/623536752.db2.gz LTZDYKHWLOWOKI-MWLCHTKSSA-N 0 0 297.704 2.679 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1F ZINC000824669105 623542990 /nfs/dbraw/zinc/54/29/90/623542990.db2.gz FMUXGBWGXKUTTH-BFHYXJOUSA-N 0 0 290.382 2.944 20 10 CFCDRN CC1(C)C[C@]1(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824693203 623546888 /nfs/dbraw/zinc/54/68/88/623546888.db2.gz MUZSKWWYNVRUFP-AWEZNQCLSA-N 0 0 274.324 2.767 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824829897 623574185 /nfs/dbraw/zinc/57/41/85/623574185.db2.gz MXDPQEDRFSVJIU-LLVKDONJSA-N 0 0 255.745 2.575 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824846271 623576309 /nfs/dbraw/zinc/57/63/09/623576309.db2.gz 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ZINC000827940688 624132723 /nfs/dbraw/zinc/13/27/23/624132723.db2.gz HTVVVXDXPDVDDB-MNOVXSKESA-N 0 0 297.445 2.808 20 10 CFCDRN COC1(C(=O)N[C@H](C)c2ccccc2O)CCCCC1 ZINC000827940384 624132808 /nfs/dbraw/zinc/13/28/08/624132808.db2.gz CPSRNNARPWSVKE-GFCCVEGCSA-N 0 0 277.364 2.919 20 10 CFCDRN CCc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)nn1 ZINC000827941530 624133539 /nfs/dbraw/zinc/13/35/39/624133539.db2.gz TXEXQNNDFXHOPD-SNVBAGLBSA-N 0 0 285.347 2.544 20 10 CFCDRN COC1(C(=O)N[C@H](C)c2ccccc2O)CCCC1 ZINC000827946746 624134841 /nfs/dbraw/zinc/13/48/41/624134841.db2.gz RANRYMRWFDMXSL-LLVKDONJSA-N 0 0 263.337 2.529 20 10 CFCDRN C[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000827946525 624134938 /nfs/dbraw/zinc/13/49/38/624134938.db2.gz KXTDNXFLRAJDOW-LLVKDONJSA-N 0 0 299.374 2.971 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1O ZINC000827952554 624137074 /nfs/dbraw/zinc/13/70/74/624137074.db2.gz XEUAONCYCFIOOV-RISCZKNCSA-N 0 0 265.353 2.631 20 10 CFCDRN 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ZINC000834905749 625918403 /nfs/dbraw/zinc/91/84/03/625918403.db2.gz UKNBSJFMHARXLA-VXGBXAGGSA-N 0 0 294.351 2.768 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(F)cc1[O-] ZINC000834906939 625918999 /nfs/dbraw/zinc/91/89/99/625918999.db2.gz URURFMIQFSKLJI-UKRRQHHQSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc(Cl)c1[O-] ZINC000834910704 625919886 /nfs/dbraw/zinc/91/98/86/625919886.db2.gz YDRFVMWAYNTBJV-SWLSCSKDSA-N 0 0 296.798 2.755 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3C=CCC3)cs2)cc1 ZINC000851641830 634469192 /nfs/dbraw/zinc/46/91/92/634469192.db2.gz OILVJIKVIFNKNX-ZDUSSCGKSA-N 0 0 299.399 2.765 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC1(C2CC2)CC1 ZINC000921613528 625993740 /nfs/dbraw/zinc/99/37/40/625993740.db2.gz IMAQJYNTRLDNBT-UHFFFAOYSA-N 0 0 278.327 2.521 20 10 CFCDRN O=C(NCCC1=CCCC1)NCc1c(O)cccc1F ZINC000921625028 626001552 /nfs/dbraw/zinc/00/15/52/626001552.db2.gz OGYDSBVDAVHGSM-UHFFFAOYSA-N 0 0 278.327 2.831 20 10 CFCDRN CCC(CC)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186389280 626038864 /nfs/dbraw/zinc/03/88/64/626038864.db2.gz XPHPMALUSMKYGH-NSHDSACASA-N 0 0 279.380 2.971 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000012020434 626226240 /nfs/dbraw/zinc/22/62/40/626226240.db2.gz HARKBSYMUZTLCR-UHFFFAOYSA-N 0 0 291.734 2.724 20 10 CFCDRN COc1cc(CN2CCCc3cc(OC)ccc32)on1 ZINC000851723214 634489706 /nfs/dbraw/zinc/48/97/06/634489706.db2.gz WVPVKOATUMDGCL-UHFFFAOYSA-N 0 0 274.320 2.645 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922586407 626318335 /nfs/dbraw/zinc/31/83/35/626318335.db2.gz LYDSWMGCPVWZEN-INIZCTEOSA-N 0 0 299.330 2.936 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nncn1C1CC1 ZINC000922658055 626335383 /nfs/dbraw/zinc/33/53/83/626335383.db2.gz IHXNYXZSXGTQQD-UHFFFAOYSA-N 0 0 264.716 2.584 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@H](C1CC1)C1CCC1 ZINC000922815431 626371786 /nfs/dbraw/zinc/37/17/86/626371786.db2.gz BVGVTHRARGFQIO-HNNXBMFYSA-N 0 0 292.354 2.909 20 10 CFCDRN 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CFCDRN O=C(NCCCSc1nccs1)N1CC[C@H]1C1CC1 ZINC000838515599 626500094 /nfs/dbraw/zinc/50/00/94/626500094.db2.gz XPVSMWZKVRHULX-NSHDSACASA-N 0 0 297.449 2.819 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000838760657 626504841 /nfs/dbraw/zinc/50/48/41/626504841.db2.gz BPHULMHUVUUOIR-QWHCGFSZSA-N 0 0 262.353 2.578 20 10 CFCDRN CCn1nncc1CN(CC1CC1)c1ccc(OC)cc1 ZINC000839032483 626521281 /nfs/dbraw/zinc/52/12/81/626521281.db2.gz SFEWLPKOSQGVHN-UHFFFAOYSA-N 0 0 286.379 2.723 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839148326 626526359 /nfs/dbraw/zinc/52/63/59/626526359.db2.gz YWRIPZCSBXQFBR-AOOOYVTPSA-N 0 0 273.735 2.842 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(F)cc1[O-] ZINC000839129636 626527695 /nfs/dbraw/zinc/52/76/95/626527695.db2.gz NDTPLGJIHOJDOI-AOOOYVTPSA-N 0 0 283.730 2.881 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC(CCO)C1 ZINC000839140104 626528390 /nfs/dbraw/zinc/52/83/90/626528390.db2.gz JSIQBAUELYRNID-UHFFFAOYSA-N 0 0 276.163 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C[C@@H](NC(=O)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000773013092 627768444 /nfs/dbraw/zinc/76/84/44/627768444.db2.gz IDSVOWBQHTXGBX-GFCCVEGCSA-N 0 0 269.348 2.639 20 10 CFCDRN Cc1ocnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019453 627769886 /nfs/dbraw/zinc/76/98/86/627769886.db2.gz LRRPAPHQFIWZAW-SNVBAGLBSA-N 0 0 273.336 2.540 20 10 CFCDRN COCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773193720 627793414 /nfs/dbraw/zinc/79/34/14/627793414.db2.gz NJQDBAZJWXDZRI-ZDUSSCGKSA-N 0 0 293.411 2.539 20 10 CFCDRN CSC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773304562 627804450 /nfs/dbraw/zinc/80/44/50/627804450.db2.gz GOAFYAWJXCMEOH-NWDGAFQWSA-N 0 0 295.452 2.864 20 10 CFCDRN CSC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773304564 627804586 /nfs/dbraw/zinc/80/45/86/627804586.db2.gz GOAFYAWJXCMEOH-VXGBXAGGSA-N 0 0 295.452 2.864 20 10 CFCDRN CS[C@H](C)CCC(=O)N(C)Cc1ccccc1O ZINC000773455131 627820975 /nfs/dbraw/zinc/82/09/75/627820975.db2.gz WNFCSYCMSXXLPV-LLVKDONJSA-N 0 0 267.394 2.882 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC[C@@H](C)SC)c1 ZINC000773476143 627825410 /nfs/dbraw/zinc/82/54/10/627825410.db2.gz FWFFKTLMFJUEKT-SNVBAGLBSA-N 0 0 283.393 2.549 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC12CCCC2 ZINC000773768344 627857551 /nfs/dbraw/zinc/85/75/51/627857551.db2.gz RUOJGSZDABHVCT-YPMHNXCESA-N 0 0 289.375 2.725 20 10 CFCDRN CCN(C)c1ccc(CN2CCC[C@@H]2c2nncn2C)cc1 ZINC000773822715 627860666 /nfs/dbraw/zinc/86/06/66/627860666.db2.gz SMRBPBMYJHJFPD-MRXNPFEDSA-N 0 0 299.422 2.608 20 10 CFCDRN CC[C@H](CSC)N(C)C(=O)C1=CC(=O)CS1 ZINC000774404845 627921759 /nfs/dbraw/zinc/92/17/59/627921759.db2.gz UPEBNFNRVGRFKG-MRVPVSSYSA-N 0 0 259.396 2.667 20 10 CFCDRN CN(Cc1ccccc1O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000774677331 627947962 /nfs/dbraw/zinc/94/79/62/627947962.db2.gz SKNFMTIOGNMXCD-UHFFFAOYSA-N 0 0 298.302 2.813 20 10 CFCDRN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904663 627978345 /nfs/dbraw/zinc/97/83/45/627978345.db2.gz IXRZEOWGITWREF-JQWIXIFHSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774965832 627982229 /nfs/dbraw/zinc/98/22/29/627982229.db2.gz VWUHWVKMMAXFEG-UHFFFAOYSA-N 0 0 282.340 2.835 20 10 CFCDRN C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000775402454 628021797 /nfs/dbraw/zinc/02/17/97/628021797.db2.gz BKGGZBGCVDUNAG-CYBMUJFWSA-N 0 0 298.386 2.878 20 10 CFCDRN C[C@H](NC(=O)[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775406575 628021883 /nfs/dbraw/zinc/02/18/83/628021883.db2.gz YKCFTLUKNJASER-SUMWQHHRSA-N 0 0 298.386 2.663 20 10 CFCDRN CCOc1nccnc1NCc1ccc(N(C)C)cc1 ZINC000775483941 628030353 /nfs/dbraw/zinc/03/03/53/628030353.db2.gz YYTSZTNCEAVOKV-UHFFFAOYSA-N 0 0 272.352 2.553 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CCO)CC1 ZINC000775647859 628047159 /nfs/dbraw/zinc/04/71/59/628047159.db2.gz FKJMABFMGFXICC-UHFFFAOYSA-N 0 0 287.762 2.779 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000775681196 628054903 /nfs/dbraw/zinc/05/49/03/628054903.db2.gz NNQUSCPZPTZKDM-CYBMUJFWSA-N 0 0 298.789 2.853 20 10 CFCDRN C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775696149 628055921 /nfs/dbraw/zinc/05/59/21/628055921.db2.gz XUOYNORLSSJRNV-SNVBAGLBSA-N 0 0 286.778 2.568 20 10 CFCDRN Cc1cnccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775698629 628056703 /nfs/dbraw/zinc/05/67/03/628056703.db2.gz ZOMZXBYRLYOBJA-CYBMUJFWSA-N 0 0 298.390 2.761 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(C)cc1 ZINC000775783376 628067232 /nfs/dbraw/zinc/06/72/32/628067232.db2.gz RCDOFIUPTNVSKL-YFHOEESVSA-N 0 0 297.358 2.860 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000775807849 628071222 /nfs/dbraw/zinc/07/12/22/628071222.db2.gz LSFUCWRQCUMAJI-UHFFFAOYSA-N 0 0 287.750 2.983 20 10 CFCDRN CCc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835755 628073803 /nfs/dbraw/zinc/07/38/03/628073803.db2.gz WUGYAMITRVGBTN-NSHDSACASA-N 0 0 274.368 2.549 20 10 CFCDRN CCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775835535 628073847 /nfs/dbraw/zinc/07/38/47/628073847.db2.gz UGXXDJPWHWHIEY-NSHDSACASA-N 0 0 274.368 2.549 20 10 CFCDRN Cc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775836075 628073958 /nfs/dbraw/zinc/07/39/58/628073958.db2.gz YJQMARFVVSWYFE-CYBMUJFWSA-N 0 0 270.380 2.702 20 10 CFCDRN Cn1ccc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000775979197 628089950 /nfs/dbraw/zinc/08/99/50/628089950.db2.gz IBHHPDZSGPJHJY-UHFFFAOYSA-N 0 0 293.317 2.974 20 10 CFCDRN C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(F)c2[O-])CC[N@H+]1C ZINC000775987033 628092222 /nfs/dbraw/zinc/09/22/22/628092222.db2.gz UATGMJUIZHKCOC-ZJUUUORDSA-N 0 0 286.778 2.709 20 10 CFCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)ccc1O ZINC000776003103 628093392 /nfs/dbraw/zinc/09/33/92/628093392.db2.gz WRTGBWKATGPFDZ-GXFFZTMASA-N 0 0 297.782 2.819 20 10 CFCDRN CC(C)[C@@H]1CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000776043302 628097867 /nfs/dbraw/zinc/09/78/67/628097867.db2.gz WQJDYNPWOWURCR-AWEZNQCLSA-N 0 0 293.386 2.832 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776174485 628111050 /nfs/dbraw/zinc/11/10/50/628111050.db2.gz BKMOXMXIUZXQNB-ZDUSSCGKSA-N 0 0 275.751 2.681 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776174444 628111151 /nfs/dbraw/zinc/11/11/51/628111151.db2.gz OOHFGTZMYFQNIB-IINYFYTJSA-N 0 0 271.788 2.932 20 10 CFCDRN Cn1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000776177463 628112118 /nfs/dbraw/zinc/11/21/18/628112118.db2.gz ONDOPEHOTIRIJW-UHFFFAOYSA-N 0 0 297.761 2.943 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000776221241 628118766 /nfs/dbraw/zinc/11/87/66/628118766.db2.gz UDQXQTYGKATXDJ-GFCCVEGCSA-N 0 0 275.751 2.945 20 10 CFCDRN CCc1cnccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000776232654 628120579 /nfs/dbraw/zinc/12/05/79/628120579.db2.gz SSVUGOPRNLEAFG-UHFFFAOYSA-N 0 0 297.402 2.948 20 10 CFCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776257656 628123201 /nfs/dbraw/zinc/12/32/01/628123201.db2.gz ZXARAFDYLCRWGB-GWCFXTLKSA-N 0 0 269.772 2.950 20 10 CFCDRN O=C(OC/C=C\c1ccccc1)c1cccc(O)c1O ZINC000776281514 628126021 /nfs/dbraw/zinc/12/60/21/628126021.db2.gz FYYMCQZBNVSSJP-YVMONPNESA-N 0 0 270.284 2.968 20 10 CFCDRN COc1cc(CN2CCC(F)(F)C2)c(O)cc1C ZINC000776291680 628127098 /nfs/dbraw/zinc/12/70/98/628127098.db2.gz FPHMCFYHSZKHQO-UHFFFAOYSA-N 0 0 257.280 2.550 20 10 CFCDRN Cc1nnccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776492344 628154013 /nfs/dbraw/zinc/15/40/13/628154013.db2.gz PAIXNDBLHWRXIC-LLVKDONJSA-N 0 0 299.378 2.734 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)OCC(C)C)cc1 ZINC000776585311 628161232 /nfs/dbraw/zinc/16/12/32/628161232.db2.gz VCEHPSFTQVDVCW-UHFFFAOYSA-N 0 0 265.353 2.721 20 10 CFCDRN CC[C@@H](NCc1cocn1)c1ccc(N(C)C)cc1 ZINC000777036728 628193606 /nfs/dbraw/zinc/19/36/06/628193606.db2.gz NNRRGUFGDDPGCQ-OAHLLOKOSA-N 0 0 259.353 2.982 20 10 CFCDRN CC(=O)c1cc(C(=O)NCc2ccccc2O)c(C)nc1C ZINC000777136693 628202995 /nfs/dbraw/zinc/20/29/95/628202995.db2.gz XNRKKGXAAVMKHN-UHFFFAOYSA-N 0 0 298.342 2.537 20 10 CFCDRN CC[C@@H](NCc1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000777500728 628231367 /nfs/dbraw/zinc/23/13/67/628231367.db2.gz QIKLHMVAONVCOY-CYBMUJFWSA-N 0 0 295.379 2.611 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC=CO1 ZINC000777871339 628260219 /nfs/dbraw/zinc/26/02/19/628260219.db2.gz QMXUPFITIVYOGF-HNNXBMFYSA-N 0 0 275.348 2.824 20 10 CFCDRN COc1ccc(N(CC(C)C)C[C@H](O)CSC)cc1 ZINC000778092746 628276880 /nfs/dbraw/zinc/27/68/80/628276880.db2.gz ZIZUMWYSSBMRIS-AWEZNQCLSA-N 0 0 283.437 2.882 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2(COC)CC2)cc1 ZINC000778624027 628320552 /nfs/dbraw/zinc/32/05/52/628320552.db2.gz GEICRPAAQCLFRP-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN Cc1cccc([C@H](C)C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000778916485 628339709 /nfs/dbraw/zinc/33/97/09/628339709.db2.gz ISPAYSLGXDTGMS-LBPRGKRZSA-N 0 0 285.343 2.826 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779079861 628350399 /nfs/dbraw/zinc/35/03/99/628350399.db2.gz PTNOKBLRQMXPJW-ZYHUDNBSSA-N 0 0 294.351 2.909 20 10 CFCDRN CC(C)[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000779150514 628356169 /nfs/dbraw/zinc/35/61/69/628356169.db2.gz NRKKSDXCDRHHJJ-MRXNPFEDSA-N 0 0 280.387 2.749 20 10 CFCDRN CCOc1ccc(C=C2SC(=S)NC2=O)cc1F ZINC000779220495 628361178 /nfs/dbraw/zinc/36/11/78/628361178.db2.gz CZZCWPNVKYRDID-POHAHGRESA-N 0 0 283.349 2.713 20 10 CFCDRN Cc1[nH]nc(C(F)F)c1NC(=O)C1=CC(=O)CS1 ZINC000779286018 628369285 /nfs/dbraw/zinc/36/92/85/628369285.db2.gz IKRONFUMDKCKFR-UHFFFAOYSA-N 0 0 273.264 2.675 20 10 CFCDRN CC(C)(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779495417 628385461 /nfs/dbraw/zinc/38/54/61/628385461.db2.gz FBFKJRZVSFMCDO-FNORWQNLSA-N 0 0 263.337 2.663 20 10 CFCDRN Cc1nnc(NCc2ccc(N3CCSCC3)cc2)o1 ZINC000779708718 628394695 /nfs/dbraw/zinc/39/46/95/628394695.db2.gz SVPOZJCZXLMVGJ-UHFFFAOYSA-N 0 0 290.392 2.543 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCC2CC(C)(C)C2)c1 ZINC000780460583 628466840 /nfs/dbraw/zinc/46/68/40/628466840.db2.gz HWSQWRFGNNKDRG-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC=CO2)c1[O-] ZINC000780568221 628478154 /nfs/dbraw/zinc/47/81/54/628478154.db2.gz YUSRSLNXNWJKHR-LLVKDONJSA-N 0 0 298.726 2.736 20 10 CFCDRN COc1ccc(N(C)Cc2cnc3cnccn23)cc1F ZINC000780779523 628496398 /nfs/dbraw/zinc/49/63/98/628496398.db2.gz JMNLWZHLVRQUMC-UHFFFAOYSA-N 0 0 286.310 2.513 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2cccs2)c(O)c1O ZINC000780855857 628500228 /nfs/dbraw/zinc/50/02/28/628500228.db2.gz VSVPUQGNBUODJO-UHFFFAOYSA-N 0 0 277.345 2.740 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)c(O)c1O ZINC000780887217 628502418 /nfs/dbraw/zinc/50/24/18/628502418.db2.gz OEXIDKFXYZMEPC-CQSZACIVSA-N 0 0 283.327 2.993 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H](C)C(C)(C)C)c(O)c1O ZINC000780944992 628506925 /nfs/dbraw/zinc/50/69/25/628506925.db2.gz ZDGVCXCMTPGBMN-JTQLQIEISA-N 0 0 265.353 2.818 20 10 CFCDRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(O)c1O)CO2 ZINC000780984543 628511057 /nfs/dbraw/zinc/51/10/57/628511057.db2.gz POPCRGQNYXTZHW-CYBMUJFWSA-N 0 0 299.326 2.578 20 10 CFCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)cc2n[nH]cc21 ZINC000781000272 628512256 /nfs/dbraw/zinc/51/22/56/628512256.db2.gz HHHXKYPEJPKMSK-UHFFFAOYSA-N 0 0 297.314 2.843 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cccc(O)c1O ZINC000839804906 628544641 /nfs/dbraw/zinc/54/46/41/628544641.db2.gz CVEOQORYMWXHLD-RYUDHWBXSA-N 0 0 275.348 2.654 20 10 CFCDRN CCOC(=O)[C@H](CC(C)C)NCc1ccc2c(c1)CCO2 ZINC000782228006 628617163 /nfs/dbraw/zinc/61/71/63/628617163.db2.gz CPZOAAJGBKGEDR-HNNXBMFYSA-N 0 0 291.391 2.689 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1scnc1C1CC1 ZINC000782303201 628626325 /nfs/dbraw/zinc/62/63/25/628626325.db2.gz WQFDZIMCHLNLAY-CLTKARDFSA-N 0 0 268.388 2.509 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1scnc1C1CC1 ZINC000782303209 628626520 /nfs/dbraw/zinc/62/65/20/628626520.db2.gz WQFDZIMCHLNLAY-XVNBXDOJSA-N 0 0 268.388 2.509 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(C2CC2)c1 ZINC000783591541 628724656 /nfs/dbraw/zinc/72/46/56/628724656.db2.gz WWQHKPOPYLYDCJ-UHFFFAOYSA-N 0 0 282.343 2.937 20 10 CFCDRN Cc1nnc([C@@H](C)OC(=O)C2=CC(=O)CS2)s1 ZINC000783609389 628726587 /nfs/dbraw/zinc/72/65/87/628726587.db2.gz YRYMKIJBCQMPPM-RXMQYKEDSA-N 0 0 270.335 2.532 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000783705389 628736506 /nfs/dbraw/zinc/73/65/06/628736506.db2.gz KJWQTEOJIAOLRZ-NSHDSACASA-N 0 0 271.719 2.967 20 10 CFCDRN C[C@@H]1CC/C(=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784072149 628771975 /nfs/dbraw/zinc/77/19/75/628771975.db2.gz UYUVQKINDRLADN-PAKSIRSJSA-N 0 0 290.315 2.570 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CO[C@H](C)C2)cc1 ZINC000784072458 628772427 /nfs/dbraw/zinc/77/24/27/628772427.db2.gz NWCZGWXEEOUTIE-UKRRQHHQSA-N 0 0 290.407 2.574 20 10 CFCDRN C[C@@H]1CC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784118092 628779025 /nfs/dbraw/zinc/77/90/25/628779025.db2.gz PUOVSAQRAJEDFK-GHMZBOCLSA-N 0 0 292.331 2.650 20 10 CFCDRN CCc1nnc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000784125165 628780184 /nfs/dbraw/zinc/78/01/84/628780184.db2.gz NAAONVGSHGKDAU-UHFFFAOYSA-N 0 0 290.436 2.799 20 10 CFCDRN CC=C(C=CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC ZINC000784215481 628791743 /nfs/dbraw/zinc/79/17/43/628791743.db2.gz ZVCCNUBTMSFEHZ-GQHUZBHDSA-N 0 0 290.315 2.736 20 10 CFCDRN O=C(OC[C@@H]1CCC2(CCCC2)O1)c1cccc(O)c1O ZINC000784787611 628842339 /nfs/dbraw/zinc/84/23/39/628842339.db2.gz KJCFFEQOQKVOKT-NSHDSACASA-N 0 0 292.331 2.746 20 10 CFCDRN C[C@H](NC(=O)OCC1CC1)c1ccc(N(C)C)cc1 ZINC000785190162 628871024 /nfs/dbraw/zinc/87/10/24/628871024.db2.gz KKCWDUQDJMIOGN-NSHDSACASA-N 0 0 262.353 2.950 20 10 CFCDRN COC(=O)c1ccccc1COC(=O)C1=CC(=O)CS1 ZINC000785315354 628875922 /nfs/dbraw/zinc/87/59/22/628875922.db2.gz HYYUFWXASYOHQG-UHFFFAOYSA-N 0 0 292.312 2.597 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@H]2C(F)(F)F)cc1 ZINC000785768855 628912381 /nfs/dbraw/zinc/91/23/81/628912381.db2.gz QNFHIZKPMFSFAO-ZDUSSCGKSA-N 0 0 288.313 2.516 20 10 CFCDRN COc1ccc(N(C)CCC(C)(C)OC)cc1OC ZINC000787187795 628998124 /nfs/dbraw/zinc/99/81/24/628998124.db2.gz XNURSFCMELGZIC-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN CC[C@H](NCc1cc(OC)c(OC)cc1O)C(F)(F)F ZINC000787440437 629012971 /nfs/dbraw/zinc/01/29/71/629012971.db2.gz NESADRRQUYFRLW-LBPRGKRZSA-N 0 0 293.285 2.840 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCC(C)(C)O ZINC000787426481 629013140 /nfs/dbraw/zinc/01/31/40/629013140.db2.gz QIZNRXPOIUICIP-UHFFFAOYSA-N 0 0 279.380 2.682 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@H](C)O)cc1 ZINC000787584097 629020577 /nfs/dbraw/zinc/02/05/77/629020577.db2.gz GLQCYWZNHNWLNR-ZDUSSCGKSA-N 0 0 273.332 2.632 20 10 CFCDRN Cc1cscc1CNC(=O)C1=CC(=O)CS1 ZINC000787925735 629042813 /nfs/dbraw/zinc/04/28/13/629042813.db2.gz MQBPZZADMLSTES-UHFFFAOYSA-N 0 0 253.348 2.754 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000788525267 629078988 /nfs/dbraw/zinc/07/89/88/629078988.db2.gz KOKVZXUGDNKEJA-SECBINFHSA-N 0 0 299.296 2.995 20 10 CFCDRN CC(=O)OCCCSc1ncc(Cl)s1 ZINC000788580868 629083552 /nfs/dbraw/zinc/08/35/52/629083552.db2.gz QLECPOJMHHZCPZ-UHFFFAOYSA-N 0 0 251.760 2.842 20 10 CFCDRN 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CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810256562 631350785 /nfs/dbraw/zinc/35/07/85/631350785.db2.gz BTHKVRCTFFNZKS-HRDYMLBCSA-N 0 0 259.296 2.744 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000810259341 631351725 /nfs/dbraw/zinc/35/17/25/631351725.db2.gz HFRRDAPIOUURDS-YMTOWFKASA-N 0 0 285.334 2.872 20 10 CFCDRN O=C(NCc1ccccc1O)C1(F)CCCCC1 ZINC000810275846 631353873 /nfs/dbraw/zinc/35/38/73/631353873.db2.gz VMZUHXXYXFUCLB-UHFFFAOYSA-N 0 0 251.301 2.681 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841187622 631354539 /nfs/dbraw/zinc/35/45/39/631354539.db2.gz YVQCNUUWPMZSHX-CJNGLKHVSA-N 0 0 292.423 2.991 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841187624 631355024 /nfs/dbraw/zinc/35/50/24/631355024.db2.gz YVQCNUUWPMZSHX-XJKSGUPXSA-N 0 0 292.423 2.991 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2ccc3c(n2)CCC3)cc1 ZINC000841259456 631370259 /nfs/dbraw/zinc/37/02/59/631370259.db2.gz QUXJMVDZYODQBD-UHFFFAOYSA-N 0 0 296.374 2.517 20 10 CFCDRN COCCN(C(=O)Nc1ccc(N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000841294420 631376033 /nfs/dbraw/zinc/37/60/33/631376033.db2.gz BVUQRPVDEXCGNZ-DOMZBBRYSA-N 0 0 291.395 2.938 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000841297566 631377138 /nfs/dbraw/zinc/37/71/38/631377138.db2.gz GBLUBCVLTCPLNI-BRWVUGGUSA-N 0 0 293.370 2.976 20 10 CFCDRN CC1(C)C[C@@H](NC(=O)Nc2ccc(N)cc2)C(C)(C)O1 ZINC000841296692 631377180 /nfs/dbraw/zinc/37/71/80/631377180.db2.gz XHXQPYNRZCSBTA-GFCCVEGCSA-N 0 0 277.368 2.736 20 10 CFCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@H]1[C@H]1CCCO1 ZINC000841298785 631377690 /nfs/dbraw/zinc/37/76/90/631377690.db2.gz GLCUSTWTZXVHRO-KGLIPLIRSA-N 0 0 289.379 2.690 20 10 CFCDRN CC(C)[C@]1(CO)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298808 631378259 /nfs/dbraw/zinc/37/82/59/631378259.db2.gz HJQLVSFYZOELCB-MRXNPFEDSA-N 0 0 291.395 2.531 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H](CO)C2CCCCC2)cc1 ZINC000841299391 631378326 /nfs/dbraw/zinc/37/83/26/631378326.db2.gz KBZNCXIYPHQIJC-CYBMUJFWSA-N 0 0 291.395 2.579 20 10 CFCDRN C[C@](CO)(NC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841301073 631379141 /nfs/dbraw/zinc/37/91/41/631379141.db2.gz YZAOCJRHBYJMCN-MRXNPFEDSA-N 0 0 291.395 2.722 20 10 CFCDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)Nc1ccc(N)cc1 ZINC000841301013 631379275 /nfs/dbraw/zinc/37/92/75/631379275.db2.gz ZJKHYHFHSLIMRE-OAHLLOKOSA-N 0 0 297.362 2.566 20 10 CFCDRN C[C@@]1(F)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300644 631379448 /nfs/dbraw/zinc/37/94/48/631379448.db2.gz YMAQWOAYCHPXJL-CYBMUJFWSA-N 0 0 251.305 2.625 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1SCCCS1 ZINC000841402411 631400049 /nfs/dbraw/zinc/40/00/49/631400049.db2.gz DQAWBQGJUVJAFO-UHFFFAOYSA-N 0 0 283.418 2.547 20 10 CFCDRN Cc1nccc(/C=C2\SC(=S)N(C3CCC3)C2=O)n1 ZINC000841498555 631417179 /nfs/dbraw/zinc/41/71/79/631417179.db2.gz PVLKPWDIWYZLOQ-XFFZJAGNSA-N 0 0 291.401 2.539 20 10 CFCDRN COC(=O)c1cnc(SCCc2ccncc2)s1 ZINC000840210018 631447556 /nfs/dbraw/zinc/44/75/56/631447556.db2.gz KQWRFZGWOVHPCV-UHFFFAOYSA-N 0 0 280.374 2.660 20 10 CFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)c2ccco2)s1 ZINC000840210131 631448019 /nfs/dbraw/zinc/44/80/19/631448019.db2.gz OSVSMMPZZBNLQP-ZETCQYMHSA-N 0 0 297.357 2.886 20 10 CFCDRN CC(C)CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841694467 631454055 /nfs/dbraw/zinc/45/40/55/631454055.db2.gz XZMZXTOHAFHLGC-UHFFFAOYSA-N 0 0 263.385 2.547 20 10 CFCDRN C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841744951 631463614 /nfs/dbraw/zinc/46/36/14/631463614.db2.gz LQPWLSXWLZVZHG-SNVBAGLBSA-N 0 0 279.771 2.672 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)cc1[O-] ZINC000841748129 631464135 /nfs/dbraw/zinc/46/41/35/631464135.db2.gz HJORYVKLELTMHY-BXKDBHETSA-N 0 0 291.782 2.977 20 10 CFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750882 631465676 /nfs/dbraw/zinc/46/56/76/631465676.db2.gz KBCDYPJSPVYRHA-OASPWFOLSA-N 0 0 296.798 2.611 20 10 CFCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751091 631465818 /nfs/dbraw/zinc/46/58/18/631465818.db2.gz FNGOYBGFGDZEBW-ZJUUUORDSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)cc1[O-] ZINC000841752879 631466535 /nfs/dbraw/zinc/46/65/35/631466535.db2.gz QUQZBZHSBQXMBV-SNVBAGLBSA-N 0 0 285.771 2.849 20 10 CFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755504 631467028 /nfs/dbraw/zinc/46/70/28/631467028.db2.gz HWDQFNAVBQOWRN-UEKVPHQBSA-N 0 0 299.798 2.748 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC000841807870 631473681 /nfs/dbraw/zinc/47/36/81/631473681.db2.gz FPPMKHIMWMYIPJ-ZIAGYGMSSA-N 0 0 290.407 2.876 20 10 CFCDRN CN(C)c1ccc(C[NH2+]CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000841803031 631473817 /nfs/dbraw/zinc/47/38/17/631473817.db2.gz OGNFXWXFDUEPOL-UHFFFAOYSA-N 0 0 298.386 2.783 20 10 CFCDRN CC[C@@H](C)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841841707 631478858 /nfs/dbraw/zinc/47/88/58/631478858.db2.gz UUEUBLKIOBJTGS-CHWSQXEVSA-N 0 0 277.412 2.935 20 10 CFCDRN CC[C@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841908845 631493058 /nfs/dbraw/zinc/49/30/58/631493058.db2.gz VERFLJFREPZABA-GJZGRUSLSA-N 0 0 289.423 2.937 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841915098 631493086 /nfs/dbraw/zinc/49/30/86/631493086.db2.gz FMBWEEFPXYSUCQ-GDBMZVCRSA-N 0 0 275.396 2.545 20 10 CFCDRN Cc1ccoc1CN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841955484 631495406 /nfs/dbraw/zinc/49/54/06/631495406.db2.gz DSOWDWCBIQYLHU-UHFFFAOYSA-N 0 0 287.363 2.554 20 10 CFCDRN CC(C)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841954552 631495618 /nfs/dbraw/zinc/49/56/18/631495618.db2.gz NVSUSKFRHXRHTI-UHFFFAOYSA-N 0 0 289.423 2.889 20 10 CFCDRN CCCN(CC(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841957242 631496494 /nfs/dbraw/zinc/49/64/94/631496494.db2.gz PWLMMZCEKBQDAM-UHFFFAOYSA-N 0 0 277.412 2.889 20 10 CFCDRN CCN(CC1CCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841959358 631496656 /nfs/dbraw/zinc/49/66/56/631496656.db2.gz MVXUVRUFZFTVFN-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN CC(C)CN(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841963127 631497084 /nfs/dbraw/zinc/49/70/84/631497084.db2.gz WXJMKTCPDVDIPP-UHFFFAOYSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@H]1CC2(CCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960074 631497626 /nfs/dbraw/zinc/49/76/26/631497626.db2.gz UITQTBOECIBMOJ-ZDUSSCGKSA-N 0 0 287.407 2.785 20 10 CFCDRN O=C1CC[C@@H](COc2ccc(N3CCCC3)cc2)CCN1 ZINC000842033688 631508329 /nfs/dbraw/zinc/50/83/29/631508329.db2.gz CDWMHWYOFZOFAT-CQSZACIVSA-N 0 0 288.391 2.582 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(C2=CCCC2)cc1 ZINC000811256463 631542097 /nfs/dbraw/zinc/54/20/97/631542097.db2.gz LTMDKHUHPZNEQV-UHFFFAOYSA-N 0 0 272.300 2.569 20 10 CFCDRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)[C@H](C)O ZINC000842227934 631567879 /nfs/dbraw/zinc/56/78/79/631567879.db2.gz ZGTVUTUCDBZDBN-XJKSGUPXSA-N 0 0 292.423 2.556 20 10 CFCDRN Cc1ccc2c(c1)/C(=C/c1cncs1)C(=O)N2C ZINC000811699928 631608069 /nfs/dbraw/zinc/60/80/69/631608069.db2.gz AIUOBZSJGOTVIQ-SDQBBNPISA-N 0 0 256.330 2.969 20 10 CFCDRN CCc1nn(C)cc1/C=C1/c2cc(C)ccc2N(C)C1=O ZINC000811700680 631608915 /nfs/dbraw/zinc/60/89/15/631608915.db2.gz PILDVWOCWFHLAL-ZROIWOOFSA-N 0 0 281.359 2.808 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(C(C)=O)cn2)c1 ZINC000811804776 631624183 /nfs/dbraw/zinc/62/41/83/631624183.db2.gz AZBFFKDNHPMKEW-UHFFFAOYSA-N 0 0 272.304 2.611 20 10 CFCDRN Cc1cccc(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000811810827 631625886 /nfs/dbraw/zinc/62/58/86/631625886.db2.gz DVRFGJQXGFWOCD-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN CO[C@@H](C)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811905317 631639247 /nfs/dbraw/zinc/63/92/47/631639247.db2.gz AVKNDALLYKHYKA-UPJWGTAASA-N 0 0 293.411 2.536 20 10 CFCDRN COC(=O)c1cnc(SCCC[C@H]2CCOC2)s1 ZINC000842583333 631672155 /nfs/dbraw/zinc/67/21/55/631672155.db2.gz XFHUSKTZWACZCM-VIFPVBQESA-N 0 0 287.406 2.839 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(F)F)CCC1 ZINC000867301804 631684111 /nfs/dbraw/zinc/68/41/11/631684111.db2.gz FGMRVCUVJQAGEC-SECBINFHSA-N 0 0 299.317 2.580 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)nnn3C)c1 ZINC000842899804 631778477 /nfs/dbraw/zinc/77/84/77/631778477.db2.gz COUYBRCXDWZTBW-SNVBAGLBSA-N 0 0 298.346 2.856 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842919324 631781455 /nfs/dbraw/zinc/78/14/55/631781455.db2.gz WKDIQDDGJJVCLO-SRVKXCTJSA-N 0 0 296.367 2.748 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842919327 631781651 /nfs/dbraw/zinc/78/16/51/631781651.db2.gz WKDIQDDGJJVCLO-TUAOUCFPSA-N 0 0 296.367 2.748 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044666 631812010 /nfs/dbraw/zinc/81/20/10/631812010.db2.gz DXSDLNGZAVBTFU-UHFFFAOYSA-N 0 0 289.206 2.883 20 10 CFCDRN CCCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843051640 631816689 /nfs/dbraw/zinc/81/66/89/631816689.db2.gz AUSGGELGBFYXCO-GFCCVEGCSA-N 0 0 286.778 2.759 20 10 CFCDRN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843065368 631825957 /nfs/dbraw/zinc/82/59/57/631825957.db2.gz LIBMGWNTIYZLPI-DTORHVGOSA-N 0 0 289.206 2.881 20 10 CFCDRN COc1cccc(O)c1CN1CCNc2ccccc21 ZINC000843124948 631843391 /nfs/dbraw/zinc/84/33/91/631843391.db2.gz QVHPSWCCEJGTFK-UHFFFAOYSA-N 0 0 270.332 2.833 20 10 CFCDRN CC(C)n1nccc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843158683 631870253 /nfs/dbraw/zinc/87/02/53/631870253.db2.gz GQPAKDFLBKEPMC-UHFFFAOYSA-N 0 0 283.335 2.687 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3CCCS3)n2)cc1 ZINC000843160069 631871231 /nfs/dbraw/zinc/87/12/31/631871231.db2.gz VHFXDWAZAUTDHS-NSHDSACASA-N 0 0 261.350 2.811 20 10 CFCDRN C[C@H](Cc1nc(Cc2ccc(N)cc2)no1)C1CC1 ZINC000843160002 631871426 /nfs/dbraw/zinc/87/14/26/631871426.db2.gz UIMNKWLNFGOQNO-SNVBAGLBSA-N 0 0 257.337 2.831 20 10 CFCDRN COc1ncc(CN2CCc3cc(OC)ccc32)s1 ZINC000813334511 631905944 /nfs/dbraw/zinc/90/59/44/631905944.db2.gz NIOQSPCWTFSCQO-UHFFFAOYSA-N 0 0 276.361 2.723 20 10 CFCDRN Cc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)cc2nncn21 ZINC000840288119 631909256 /nfs/dbraw/zinc/90/92/56/631909256.db2.gz DXLVFEZJGIVSCX-NSHDSACASA-N 0 0 296.378 2.672 20 10 CFCDRN CCC(C)(C)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000843304244 631922853 /nfs/dbraw/zinc/92/28/53/631922853.db2.gz XEZIEKKPYQGCBV-CQSZACIVSA-N 0 0 279.380 2.983 20 10 CFCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000813512952 631927966 /nfs/dbraw/zinc/92/79/66/631927966.db2.gz CRMSCSOIEIMNLR-CYZMBNFOSA-N 0 0 277.364 2.581 20 10 CFCDRN COc1ncncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000843405218 631946729 /nfs/dbraw/zinc/94/67/29/631946729.db2.gz CWUUGBNARGHODF-UHFFFAOYSA-N 0 0 287.363 2.909 20 10 CFCDRN CC[C@@H](C)C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000843415950 631948211 /nfs/dbraw/zinc/94/82/11/631948211.db2.gz NKTPAVVNGMZKGM-CJNGLKHVSA-N 0 0 292.423 2.820 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417312 631949200 /nfs/dbraw/zinc/94/92/00/631949200.db2.gz APWLYTUTJSIEAV-CQSZACIVSA-N 0 0 299.823 2.754 20 10 CFCDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C)C1 ZINC000843421997 631951348 /nfs/dbraw/zinc/95/13/48/631951348.db2.gz JYYPFTXIDWQHOC-CYBMUJFWSA-N 0 0 282.815 2.962 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC1(C)C ZINC000840300999 631968371 /nfs/dbraw/zinc/96/83/71/631968371.db2.gz HLOFUFIGXJDBQU-AWEZNQCLSA-N 0 0 275.396 2.659 20 10 CFCDRN COCC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000814173226 632022896 /nfs/dbraw/zinc/02/28/96/632022896.db2.gz LCHNEXUWKJCGNK-UHFFFAOYSA-N 0 0 275.751 2.947 20 10 CFCDRN COC(=O)[C@H](CC(C)C)N(C)Cc1cc(C)ccc1O ZINC000814178926 632025250 /nfs/dbraw/zinc/02/52/50/632025250.db2.gz JCJRNUGCDPDNQN-AWEZNQCLSA-N 0 0 279.380 2.720 20 10 CFCDRN CCc1noc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000814255270 632046371 /nfs/dbraw/zinc/04/63/71/632046371.db2.gz DVXOSGADNMJADJ-UHFFFAOYSA-N 0 0 271.679 2.742 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C1CCCC1 ZINC000843852112 632067566 /nfs/dbraw/zinc/06/75/66/632067566.db2.gz ULPCJIGQPZASRJ-YPUOHESYSA-N 0 0 289.375 2.891 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000814790661 632124169 /nfs/dbraw/zinc/12/41/69/632124169.db2.gz VNAMDFJHEFSIBH-HOTGVXAUSA-N 0 0 290.407 2.574 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cc3n(n2)CCC3)cc1 ZINC000844273112 632151929 /nfs/dbraw/zinc/15/19/29/632151929.db2.gz NNEGXGXCJXCBAJ-UHFFFAOYSA-N 0 0 284.407 2.527 20 10 CFCDRN CCC[C@](C)(NCc1ccc(N(C)C)c(C)c1)C(=O)OC ZINC000815051896 632191932 /nfs/dbraw/zinc/19/19/32/632191932.db2.gz VWTXUIDWLDHXDD-KRWDZBQOSA-N 0 0 292.423 2.882 20 10 CFCDRN CC[C@H](C)N(CC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000815107590 632203007 /nfs/dbraw/zinc/20/30/07/632203007.db2.gz RJGVPATWANEMLB-AWEZNQCLSA-N 0 0 292.423 2.835 20 10 CFCDRN CCN(C)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000815121172 632206672 /nfs/dbraw/zinc/20/66/72/632206672.db2.gz RRWGFBMVCLSVKY-OAHLLOKOSA-N 0 0 290.407 2.669 20 10 CFCDRN C[C@@H](O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815580897 632291181 /nfs/dbraw/zinc/29/11/81/632291181.db2.gz SRFFYTXSRHCYKD-RKDXNWHRSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576474 632291481 /nfs/dbraw/zinc/29/14/81/632291481.db2.gz QXNVBIBAZZATTQ-VHSXEESVSA-N 0 0 288.313 2.766 20 10 CFCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000815633577 632302923 /nfs/dbraw/zinc/30/29/23/632302923.db2.gz RLQWQTNXENOBLF-NEPJUHHUSA-N 0 0 296.386 2.734 20 10 CFCDRN C[C@@H](F)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645411 632304056 /nfs/dbraw/zinc/30/40/56/632304056.db2.gz DVFFGHCTAIMOLO-BDAKNGLRSA-N 0 0 256.277 2.699 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815651692 632305086 /nfs/dbraw/zinc/30/50/86/632305086.db2.gz ZYHICZPBBYAISN-VIFPVBQESA-N 0 0 293.317 2.662 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000815651997 632305254 /nfs/dbraw/zinc/30/52/54/632305254.db2.gz LJYCMTKXMFOHBJ-QPUJVOFHSA-N 0 0 273.323 2.871 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C/C2CC2)cc1 ZINC000844853701 632322860 /nfs/dbraw/zinc/32/28/60/632322860.db2.gz BZOJVPZGMJPCQG-IZZDOVSWSA-N 0 0 288.391 2.556 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C(C)(F)F)c1 ZINC000815835062 632325492 /nfs/dbraw/zinc/32/54/92/632325492.db2.gz JCYJGTJJHLLGIA-IUCAKERBSA-N 0 0 287.306 2.869 20 10 CFCDRN COc1cccc(CNC(=O)CCc2cccc(C)c2)c1O ZINC000105652493 632325913 /nfs/dbraw/zinc/32/59/13/632325913.db2.gz VPZHJPKJYSYMET-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1O ZINC000844939287 632343023 /nfs/dbraw/zinc/34/30/23/632343023.db2.gz NGKZWNDDXMUUEB-GOSISDBHSA-N 0 0 299.370 2.833 20 10 CFCDRN C[C@@H](NC(=O)N1CCCCCO1)c1ccc(N(C)C)cc1 ZINC000845126261 632371511 /nfs/dbraw/zinc/37/15/11/632371511.db2.gz ZJUKSRYKMCULMD-CYBMUJFWSA-N 0 0 291.395 2.941 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC1CC(F)(F)C1 ZINC000845150336 632376333 /nfs/dbraw/zinc/37/63/33/632376333.db2.gz IPZJAPQTHXLJNR-UHFFFAOYSA-N 0 0 290.697 2.643 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc2[nH]ccc21 ZINC000156693819 650067361 /nfs/dbraw/zinc/06/73/61/650067361.db2.gz RNORSRKTUUVETO-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN Oc1c(CNCc2ccon2)ccc2ccccc21 ZINC000816555919 632483274 /nfs/dbraw/zinc/48/32/74/632483274.db2.gz UIEKOKYVWWWASP-UHFFFAOYSA-N 0 0 254.289 2.823 20 10 CFCDRN Oc1c(C[N@@H+]2CCCC3(C2)OCCO3)ccc2ccccc21 ZINC000816565321 632485199 /nfs/dbraw/zinc/48/51/99/632485199.db2.gz KYBDJXYLDDKZQU-UHFFFAOYSA-N 0 0 299.370 2.884 20 10 CFCDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816567737 632486649 /nfs/dbraw/zinc/48/66/49/632486649.db2.gz KNXOJHSNRZVQBJ-OQPBUACISA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571721 632488006 /nfs/dbraw/zinc/48/80/06/632488006.db2.gz NTKIVWSRVKEYAA-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816568884 632488034 /nfs/dbraw/zinc/48/80/34/632488034.db2.gz SDXAEOIGJXIWCU-ZDUSSCGKSA-N 0 0 287.762 2.920 20 10 CFCDRN C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587000 632489824 /nfs/dbraw/zinc/48/98/24/632489824.db2.gz ZWMFSPUXOPBKMJ-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630366 632497473 /nfs/dbraw/zinc/49/74/73/632497473.db2.gz BMZPPEXSEPDIQY-CYBMUJFWSA-N 0 0 281.783 2.925 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816665768 632508830 /nfs/dbraw/zinc/50/88/30/632508830.db2.gz TYSWPVLUBKNABX-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccccc1NC[C@H](O)COc1ccccc1C ZINC000005590159 632511397 /nfs/dbraw/zinc/51/13/97/632511397.db2.gz VMJHWNQPIFCIEX-AWEZNQCLSA-N 0 0 287.359 2.855 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CC3CC3)cc12 ZINC000817152166 632564469 /nfs/dbraw/zinc/56/44/69/632564469.db2.gz QVCSRYKHYYFSCL-UHFFFAOYSA-N 0 0 293.388 2.914 20 10 CFCDRN O=C(N[C@H](c1ccccc1)C(F)F)c1cccc(O)c1O ZINC000817223139 632574523 /nfs/dbraw/zinc/57/45/23/632574523.db2.gz KIOVUVPGXWKWSQ-GFCCVEGCSA-N 0 0 293.269 2.834 20 10 CFCDRN C[C@@H](COCC(=O)NCc1ccccc1O)c1ccccc1 ZINC000845833048 632577277 /nfs/dbraw/zinc/57/72/77/632577277.db2.gz HKKRRJOGCKFXJF-AWEZNQCLSA-N 0 0 299.370 2.829 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1C1CCCC1 ZINC000845832586 632577588 /nfs/dbraw/zinc/57/75/88/632577588.db2.gz DGIPNJWHPXUUHJ-KBPBESRZSA-N 0 0 289.375 2.583 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2ccccc2C1 ZINC000845833735 632577727 /nfs/dbraw/zinc/57/77/27/632577727.db2.gz ICRPAPSGUZFBBR-HNNXBMFYSA-N 0 0 297.354 2.519 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845833470 632577860 /nfs/dbraw/zinc/57/78/60/632577860.db2.gz GQWPDHMDQWKMGS-CHWSQXEVSA-N 0 0 275.348 2.540 20 10 CFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[S@@](C)=O ZINC000817298458 632599210 /nfs/dbraw/zinc/59/92/10/632599210.db2.gz MBHDPTWPODGKNH-VBKZILBWSA-N 0 0 295.448 2.708 20 10 CFCDRN Cn1c(Cl)cnc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000817347064 632610736 /nfs/dbraw/zinc/61/07/36/632610736.db2.gz ZWTFUNANECJYHU-XYOKQWHBSA-N 0 0 299.761 2.907 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846044461 632623416 /nfs/dbraw/zinc/62/34/16/632623416.db2.gz LKIVOJKNGOLZFC-JLLWLGSASA-N 0 0 271.719 2.594 20 10 CFCDRN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412654 632624844 /nfs/dbraw/zinc/62/48/44/632624844.db2.gz NRLHPWXRVATEFX-ZJUUUORDSA-N 0 0 287.762 2.635 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000817430529 632632521 /nfs/dbraw/zinc/63/25/21/632632521.db2.gz IYBHZKYTFDGMNK-MGPQQGTHSA-N 0 0 290.382 2.944 20 10 CFCDRN C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000846109496 632633207 /nfs/dbraw/zinc/63/32/07/632633207.db2.gz DZGMIANZRGGJRQ-MRVPVSSYSA-N 0 0 278.179 2.902 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846185425 632656526 /nfs/dbraw/zinc/65/65/26/632656526.db2.gz WJYCPFMCEVRAGK-MJVIPROJSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(F)cc(F)c1[O-] ZINC000846190552 632657600 /nfs/dbraw/zinc/65/76/00/632657600.db2.gz REKHGAOINQVYNL-HLXLPKMUSA-N 0 0 269.291 2.641 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846204508 632659504 /nfs/dbraw/zinc/65/95/04/632659504.db2.gz MJYLTDWZLOFMHP-QWRGUYRKSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F ZINC000817548864 632660293 /nfs/dbraw/zinc/66/02/93/632660293.db2.gz FCXXVNGONWUWOG-HNNXBMFYSA-N 0 0 295.329 2.933 20 10 CFCDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817585200 632671494 /nfs/dbraw/zinc/67/14/94/632671494.db2.gz CHRHJGBVVIISAY-LLVKDONJSA-N 0 0 294.351 2.646 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)OCC1CCCCC1 ZINC000867417446 632700645 /nfs/dbraw/zinc/70/06/45/632700645.db2.gz VVNFSLRYZDKVFF-UHFFFAOYSA-N 0 0 279.336 2.904 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000817866014 632713906 /nfs/dbraw/zinc/71/39/06/632713906.db2.gz SFFVHSCHPISYFR-UHFFFAOYSA-N 0 0 284.762 2.513 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474193 632715789 /nfs/dbraw/zinc/71/57/89/632715789.db2.gz RYUOMQIPRJYYKR-NEPJUHHUSA-N 0 0 267.756 2.954 20 10 CFCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475494 632716104 /nfs/dbraw/zinc/71/61/04/632716104.db2.gz HOJGJIXBSCPLLK-TVQRCGJNSA-N 0 0 295.766 2.667 20 10 CFCDRN CC(C)(C)c1ccc(C(=O)NCc2ccc(N)cc2)nc1 ZINC000817877450 632716191 /nfs/dbraw/zinc/71/61/91/632716191.db2.gz KOJDJCMLMBOGFP-UHFFFAOYSA-N 0 0 283.375 2.891 20 10 CFCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474238 632716511 /nfs/dbraw/zinc/71/65/11/632716511.db2.gz SKWQIIHSGYAVGI-NOZJJQNGSA-N 0 0 285.771 2.723 20 10 CFCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846476274 632717590 /nfs/dbraw/zinc/71/75/90/632717590.db2.gz MRAXOISFEPUSBZ-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN CC[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817902877 632727230 /nfs/dbraw/zinc/72/72/30/632727230.db2.gz AOBMUDNEEZKQEN-JTQLQIEISA-N 0 0 289.404 2.844 20 10 CFCDRN CC[C@H]([NH2+]CCN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936737 632741723 /nfs/dbraw/zinc/74/17/23/632741723.db2.gz QSPYHEAKDNSEFR-JTQLQIEISA-N 0 0 263.168 2.698 20 10 CFCDRN C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817944382 632747079 /nfs/dbraw/zinc/74/70/79/632747079.db2.gz AHAZHTUQVHQGIG-HTQZYQBOSA-N 0 0 275.179 2.712 20 10 CFCDRN C[C@H]([NH2+]CCNC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817952513 632752344 /nfs/dbraw/zinc/75/23/44/632752344.db2.gz FNEOGEWFULETBO-VIFPVBQESA-N 0 0 288.313 2.814 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846665951 632768482 /nfs/dbraw/zinc/76/84/82/632768482.db2.gz PDWHBGWWQYXQMW-CVEARBPZSA-N 0 0 272.392 2.754 20 10 CFCDRN CN(C)c1ccc(CN(Cc2cnsn2)C2CC2)cc1 ZINC000846776397 632795004 /nfs/dbraw/zinc/79/50/04/632795004.db2.gz POCKAYFMAWRYKL-UHFFFAOYSA-N 0 0 288.420 2.769 20 10 CFCDRN CSC[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000114376070 635831760 /nfs/dbraw/zinc/83/17/60/635831760.db2.gz NOQSNROHEOSEDN-SECBINFHSA-N 0 0 290.479 2.741 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)c(O)c1 ZINC000846948881 632855975 /nfs/dbraw/zinc/85/59/75/632855975.db2.gz CZFJYYSJPKCNEI-LBPRGKRZSA-N 0 0 289.375 2.987 20 10 CFCDRN CCC[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000818545301 632863273 /nfs/dbraw/zinc/86/32/73/632863273.db2.gz WPYSPNXSSPIMNF-OAHLLOKOSA-N 0 0 262.397 3.000 20 10 CFCDRN C[C@H]1CC/C(=C/C(=O)NCCc2ccc(N)cc2)C1 ZINC000818545044 632863434 /nfs/dbraw/zinc/86/34/34/632863434.db2.gz CJKLEZNKUCNCQN-PBBNAPBQSA-N 0 0 258.365 2.674 20 10 CFCDRN Nc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 ZINC000818556462 632865180 /nfs/dbraw/zinc/86/51/80/632865180.db2.gz SSPFMEXOKDCSPT-UHFFFAOYSA-N 0 0 271.320 2.778 20 10 CFCDRN CN(CC1OCCO1)c1ccc(-c2nccs2)cc1 ZINC000846997207 632873908 /nfs/dbraw/zinc/87/39/08/632873908.db2.gz VOZCTXMGZAWQLS-UHFFFAOYSA-N 0 0 276.361 2.619 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631591 632884997 /nfs/dbraw/zinc/88/49/97/632884997.db2.gz KDRXXAHJKKZZJC-NHYWBVRUSA-N 0 0 294.370 2.577 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000818630661 632885404 /nfs/dbraw/zinc/88/54/04/632885404.db2.gz XMSFFBIWGJYLFR-NSHDSACASA-N 0 0 285.771 2.882 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N2CCCc3cccnc32)s1 ZINC000847145330 632937072 /nfs/dbraw/zinc/93/70/72/632937072.db2.gz XOJRGPJZNXXSQU-VOTSOKGWSA-N 0 0 285.372 2.839 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCCO1 ZINC000819382696 633141466 /nfs/dbraw/zinc/14/14/66/633141466.db2.gz QNJMWBZWQBWTJX-BOLDSZDNSA-N 0 0 289.375 2.866 20 10 CFCDRN CSC[C@@H](O)CNc1ccccc1OCC(C)C ZINC000819415821 633153664 /nfs/dbraw/zinc/15/36/64/633153664.db2.gz JYZSMJNHDKVCKH-LBPRGKRZSA-N 0 0 269.410 2.857 20 10 CFCDRN Cc1ccc(C(=O)Nc2cnc(C)nc2C2CC2)c(O)c1O ZINC000848031428 633193703 /nfs/dbraw/zinc/19/37/03/633193703.db2.gz DAFQLTBCNBOJKU-UHFFFAOYSA-N 0 0 299.330 2.634 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000857080642 635926814 /nfs/dbraw/zinc/92/68/14/635926814.db2.gz JYQPKWBJWVUFDM-ONGXEEELSA-N 0 0 299.317 2.875 20 10 CFCDRN Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O ZINC000848639348 633305802 /nfs/dbraw/zinc/30/58/02/633305802.db2.gz IERDOFHNTMNICZ-KWCYVHTRSA-N 0 0 291.391 2.926 20 10 CFCDRN CCOC(=O)[C@H]1CCCCN1Cc1cccc(CC)c1O ZINC000848880269 633357978 /nfs/dbraw/zinc/35/79/78/633357978.db2.gz MXQPPGJOSWNNCF-OAHLLOKOSA-N 0 0 291.391 2.872 20 10 CFCDRN Cc1cc(C(=O)N[C@H]2CC23CC3)c(C)n1-c1ccccn1 ZINC000819624693 633400965 /nfs/dbraw/zinc/40/09/65/633400965.db2.gz BLUYBDKOAANVLD-AWEZNQCLSA-N 0 0 281.359 2.771 20 10 CFCDRN S=C(NCc1ccc(N2CCCC2)cc1)NCC1CC1 ZINC000849255148 633593411 /nfs/dbraw/zinc/59/34/11/633593411.db2.gz VZHNCWWDZNHARG-UHFFFAOYSA-N 0 0 289.448 2.661 20 10 CFCDRN CCOc1ccc(CNc2cccc(OC)n2)c(O)c1 ZINC000849346786 633624724 /nfs/dbraw/zinc/62/47/24/633624724.db2.gz ARANRNKKQRXRCA-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCN(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000108642207 633639432 /nfs/dbraw/zinc/63/94/32/633639432.db2.gz RDZGUNPLEVKZGD-UHFFFAOYSA-N 0 0 263.385 2.646 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCC1CCC1 ZINC000849744841 633699327 /nfs/dbraw/zinc/69/93/27/633699327.db2.gz GXQSRQHWSMZXCV-ALCCZGGFSA-N 0 0 262.305 2.844 20 10 CFCDRN CC(C)(C)NC(=O)CSc1ncc(Cl)s1 ZINC000849997579 633786692 /nfs/dbraw/zinc/78/66/92/633786692.db2.gz ALOPBJZQWLAUIW-UHFFFAOYSA-N 0 0 264.803 2.803 20 10 CFCDRN COCCCOc1ccccc1NCc1nc(C)c[nH]1 ZINC000850207924 633892385 /nfs/dbraw/zinc/89/23/85/633892385.db2.gz ASQRLXBZSWIQJN-UHFFFAOYSA-N 0 0 275.352 2.746 20 10 CFCDRN COC1CC(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000850481263 634012285 /nfs/dbraw/zinc/01/22/85/634012285.db2.gz FHUYOANOENYNQX-XSRFYTQQSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(Cl)cc1[O-] ZINC000850516277 634027010 /nfs/dbraw/zinc/02/70/10/634027010.db2.gz UEYJITURIYUDAO-ZJUUUORDSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536942 634042452 /nfs/dbraw/zinc/04/24/52/634042452.db2.gz PDRUOMATAXXJHZ-PELKAZGASA-N 0 0 286.278 2.996 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536948 634042462 /nfs/dbraw/zinc/04/24/62/634042462.db2.gz PDRUOMATAXXJHZ-UFBFGSQYSA-N 0 0 286.278 2.996 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(F)cc1[O-] ZINC000850545022 634046230 /nfs/dbraw/zinc/04/62/30/634046230.db2.gz DEHITPIRGBECMO-QEJZJMRPSA-N 0 0 279.355 2.876 20 10 CFCDRN CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850554797 634050985 /nfs/dbraw/zinc/05/09/85/634050985.db2.gz LANODNAWNKQFRT-CMPLNLGQSA-N 0 0 284.350 2.805 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nccn2C)c1 ZINC000850572816 634057325 /nfs/dbraw/zinc/05/73/25/634057325.db2.gz PMQDZXVJHDHOJS-GHMZBOCLSA-N 0 0 275.352 2.546 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850579056 634059763 /nfs/dbraw/zinc/05/97/63/634059763.db2.gz RKEVXNCITCVFSP-FXQIFTODSA-N 0 0 276.163 2.873 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000858161215 636144925 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CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])cc1C ZINC000871878406 641495400 /nfs/dbraw/zinc/49/54/00/641495400.db2.gz KEDYWCGRNTVGIN-QWHCGFSZSA-N 0 0 279.380 2.983 20 10 CFCDRN Cc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000871882562 641498374 /nfs/dbraw/zinc/49/83/74/641498374.db2.gz MGNWZQZNJZIYAA-QGZVFWFLSA-N 0 0 298.386 2.977 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000872105138 641636576 /nfs/dbraw/zinc/63/65/76/641636576.db2.gz AVQGNFIKTIRKTJ-ZYHUDNBSSA-N 0 0 294.351 2.766 20 10 CFCDRN Cc1nonc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000872136325 641664869 /nfs/dbraw/zinc/66/48/69/641664869.db2.gz MIVKIRRSOPRBOR-SNVBAGLBSA-N 0 0 287.363 2.813 20 10 CFCDRN C[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)c1ccccc1O ZINC000872299729 641748423 /nfs/dbraw/zinc/74/84/23/641748423.db2.gz ABVOXPYQYVHQPY-XFJVYGCCSA-N 0 0 275.348 2.529 20 10 CFCDRN CCCOc1ccc(CNCc2cnn(CC)n2)cc1C ZINC000873140308 642028605 /nfs/dbraw/zinc/02/86/05/642028605.db2.gz 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GGUWPBZETNMRGJ-UHFFFAOYSA-N 0 0 262.353 2.854 20 10 CFCDRN O=C(NC[C@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875553949 642642471 /nfs/dbraw/zinc/64/24/71/642642471.db2.gz JNIIGFBJBPVPTN-JTQLQIEISA-N 0 0 296.317 2.853 20 10 CFCDRN O=C(N[C@H](C1CC1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000875654992 642659420 /nfs/dbraw/zinc/65/94/20/642659420.db2.gz BSVKRAKNKDMZOW-INIZCTEOSA-N 0 0 286.375 2.996 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccco1)N1Cc2cccc(O)c2C1 ZINC000875673398 642662911 /nfs/dbraw/zinc/66/29/11/642662911.db2.gz HJZSEKDCVBEJPJ-DGCLKSJQSA-N 0 0 284.315 2.567 20 10 CFCDRN O=C(NC1CC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000875701351 642670016 /nfs/dbraw/zinc/67/00/16/642670016.db2.gz DZHTUSLJVNFHPL-UHFFFAOYSA-N 0 0 272.348 2.750 20 10 CFCDRN CC1(C)[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1(F)F ZINC000875748223 642678454 /nfs/dbraw/zinc/67/84/54/642678454.db2.gz XYQFKPRGHGKKQB-GFCCVEGCSA-N 0 0 296.317 2.709 20 10 CFCDRN O=C(N[C@@H]1CCCC12CC2)N1Cc2cccc(O)c2C1 ZINC000875946332 642722964 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C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876964998 643085206 /nfs/dbraw/zinc/08/52/06/643085206.db2.gz XXHARRVFRBOFEY-NWDGAFQWSA-N 0 0 298.377 2.880 20 10 CFCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)C1(F)F ZINC000876992604 643096796 /nfs/dbraw/zinc/09/67/96/643096796.db2.gz WPQXMRWRIOMSBD-PHIMTYICSA-N 0 0 282.334 2.561 20 10 CFCDRN CCCCC[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126297811 643109408 /nfs/dbraw/zinc/10/94/08/643109408.db2.gz DOJWKYAYNSGWFY-JTQLQIEISA-N 0 0 251.326 2.796 20 10 CFCDRN CCc1nc(NC(=O)c2cccc(O)c2O)sc1C ZINC000126302510 643110483 /nfs/dbraw/zinc/11/04/83/643110483.db2.gz NGSMKDWMJBKAIK-UHFFFAOYSA-N 0 0 278.333 2.677 20 10 CFCDRN CCCC[C@H](COC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877051296 643121389 /nfs/dbraw/zinc/12/13/89/643121389.db2.gz VCKLDAHZTQULJH-LLVKDONJSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccsc1 ZINC000877052492 643122321 /nfs/dbraw/zinc/12/23/21/643122321.db2.gz YBIOFXKAGYAYKM-CQSZACIVSA-N 0 0 299.342 2.729 20 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20 10 CFCDRN C[C@@H]1CC[C@H](CCC(=O)N(C)c2ccc(N)cc2)O1 ZINC000877077820 643139640 /nfs/dbraw/zinc/13/96/40/643139640.db2.gz VRONEKJKXJZUFI-BXUZGUMPSA-N 0 0 262.353 2.579 20 10 CFCDRN CN(C(=O)c1cnc(C2CC2)s1)c1ccc(N)cc1 ZINC000877077784 643139675 /nfs/dbraw/zinc/13/96/75/643139675.db2.gz URBKFSPGYAQXSP-UHFFFAOYSA-N 0 0 273.361 2.879 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC[C@H]1O ZINC000877081919 643140891 /nfs/dbraw/zinc/14/08/91/643140891.db2.gz TXZRCCJICRTYJN-DOMZBBRYSA-N 0 0 285.334 2.701 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC[C@@H]1O ZINC000877081922 643140983 /nfs/dbraw/zinc/14/09/83/643140983.db2.gz TXZRCCJICRTYJN-WFASDCNBSA-N 0 0 285.334 2.701 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc(F)c1F ZINC000877090500 643146330 /nfs/dbraw/zinc/14/63/30/643146330.db2.gz VQVHIGASATUNNH-LLVKDONJSA-N 0 0 283.318 2.862 20 10 CFCDRN C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O ZINC000126344151 643153264 /nfs/dbraw/zinc/15/32/64/643153264.db2.gz 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BNRVXYCAXLGITB-AAEUAGOBSA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1nocc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000888745394 643249883 /nfs/dbraw/zinc/24/98/83/643249883.db2.gz PEAAJIAOOTWYMG-UHFFFAOYSA-N 0 0 288.351 2.679 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc(F)c1F ZINC000877374516 643250407 /nfs/dbraw/zinc/25/04/07/643250407.db2.gz BNRVXYCAXLGITB-YPMHNXCESA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c(O)c1 ZINC000877515972 643321336 /nfs/dbraw/zinc/32/13/36/643321336.db2.gz AHQBSSSTCMANHL-ZWNOBZJWSA-N 0 0 289.297 2.852 20 10 CFCDRN COCc1nc(CNCc2ccc(C)cc2O)cs1 ZINC000877539434 643341067 /nfs/dbraw/zinc/34/10/67/643341067.db2.gz NDOFCVOYUDUMHU-UHFFFAOYSA-N 0 0 278.377 2.593 20 10 CFCDRN Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC000877541568 643344151 /nfs/dbraw/zinc/34/41/51/643344151.db2.gz GRIHTHOVSGCAGA-GFCCVEGCSA-N 0 0 293.317 2.622 20 10 CFCDRN Cc1ccc(CN(C)Cc2nncn2C(C)C)c(O)c1 ZINC000877548337 643349607 /nfs/dbraw/zinc/34/96/07/643349607.db2.gz WIXWUVBEKNOELF-UHFFFAOYSA-N 0 0 274.368 2.505 20 10 CFCDRN C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000877555028 643356145 /nfs/dbraw/zinc/35/61/45/643356145.db2.gz RWIBEQKXJLFIHK-NSHDSACASA-N 0 0 296.361 2.587 20 10 CFCDRN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000877556867 643358434 /nfs/dbraw/zinc/35/84/34/643358434.db2.gz LGPJAOSYOGXIAA-OAHLLOKOSA-N 0 0 298.377 2.781 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC000877565741 643365444 /nfs/dbraw/zinc/36/54/44/643365444.db2.gz PBNOIKQGDXEFOL-LBPRGKRZSA-N 0 0 285.334 2.917 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)ccc(F)c1F ZINC000877565912 643365646 /nfs/dbraw/zinc/36/56/46/643365646.db2.gz BCSSNULZJPKVAE-WFASDCNBSA-N 0 0 297.345 2.557 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000877569939 643367972 /nfs/dbraw/zinc/36/79/72/643367972.db2.gz APMMCJOTOWOWBE-LLVKDONJSA-N 0 0 287.350 2.899 20 10 CFCDRN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877577250 643374118 /nfs/dbraw/zinc/37/41/18/643374118.db2.gz VBHRRIUXRLBLNF-GFCCVEGCSA-N 0 0 284.350 2.585 20 10 CFCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc(C)cc1O ZINC000877604610 643392359 /nfs/dbraw/zinc/39/23/59/643392359.db2.gz DEJPKXQVFOEISD-ZDUSSCGKSA-N 0 0 279.380 2.768 20 10 CFCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc(C)cc1O ZINC000877604609 643392506 /nfs/dbraw/zinc/39/25/06/643392506.db2.gz DEJPKXQVFOEISD-CYBMUJFWSA-N 0 0 279.380 2.768 20 10 CFCDRN CC[N@H+](CCSC)Cc1ccc(F)c(F)c1[O-] ZINC000877607456 643394411 /nfs/dbraw/zinc/39/44/11/643394411.db2.gz COVNFMSBRTWZHZ-UHFFFAOYSA-N 0 0 261.337 2.855 20 10 CFCDRN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877611338 643397900 /nfs/dbraw/zinc/39/79/00/643397900.db2.gz PCIQSMYITFXBHV-SKDRFNHKSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877613579 643399101 /nfs/dbraw/zinc/39/91/01/643399101.db2.gz MLSMLNOJASRFGI-SECBINFHSA-N 0 0 271.307 2.575 20 10 CFCDRN Cc1ccc(CN[C@H](C)C(=O)OCc2ccccc2)c(O)c1 ZINC000877616951 643404059 /nfs/dbraw/zinc/40/40/59/643404059.db2.gz JBLMCYBPXJYHDJ-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN COc1cc(NCc2c(C)cccc2O)cnc1OC ZINC000877652228 643433557 /nfs/dbraw/zinc/43/35/57/643433557.db2.gz FCBRMPIUONFEFT-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)O1 ZINC000877682911 643450960 /nfs/dbraw/zinc/45/09/60/643450960.db2.gz QWLKSTXVFMHDLT-RWYTXXIDSA-N 0 0 273.735 2.840 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000877700107 643463333 /nfs/dbraw/zinc/46/33/33/643463333.db2.gz DMZWVUFFRNDGKH-SNVBAGLBSA-N 0 0 294.351 2.977 20 10 CFCDRN COc1c(C)cnc(CN2Cc3cccc(O)c3C2)c1C ZINC000877702722 643467032 /nfs/dbraw/zinc/46/70/32/643467032.db2.gz FGSCYLUGZKDRIE-UHFFFAOYSA-N 0 0 284.359 2.928 20 10 CFCDRN CCOc1cccc(CN2Cc3cccc(O)c3C2)n1 ZINC000877702924 643467447 /nfs/dbraw/zinc/46/74/47/643467447.db2.gz KAIOGUFPIAGDQT-UHFFFAOYSA-N 0 0 270.332 2.702 20 10 CFCDRN CC(C)n1cncc1CN1Cc2cccc(O)c2C1 ZINC000877702967 643468405 /nfs/dbraw/zinc/46/84/05/643468405.db2.gz MMDBIIDPUJLWIT-UHFFFAOYSA-N 0 0 257.337 2.685 20 10 CFCDRN Oc1cccc2c1CN(Cc1cnc(C3CC3)o1)C2 ZINC000877702974 643468531 /nfs/dbraw/zinc/46/85/31/643468531.db2.gz MUPNYZVIFJEOIJ-UHFFFAOYSA-N 0 0 256.305 2.773 20 10 CFCDRN COc1ccc(OC)c(CN2Cc3cccc(O)c3C2)c1 ZINC000877703730 643468912 /nfs/dbraw/zinc/46/89/12/643468912.db2.gz RLOXZHADIMTINZ-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN COc1ccc(CN2Cc3cccc(O)c3C2)cc1O ZINC000877703494 643469574 /nfs/dbraw/zinc/46/95/74/643469574.db2.gz MBGDLGGDFUGZTQ-UHFFFAOYSA-N 0 0 271.316 2.622 20 10 CFCDRN CCOc1ccc(CN2CC(OC(C)(C)C)C2)c(O)c1 ZINC000877772223 643551735 /nfs/dbraw/zinc/55/17/35/643551735.db2.gz UMHVSIAEHCAGCF-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877778594 643554184 /nfs/dbraw/zinc/55/41/84/643554184.db2.gz RZXWBUURMJZYHH-SCZZXKLOSA-N 0 0 275.751 2.824 20 10 CFCDRN Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877828914 643595009 /nfs/dbraw/zinc/59/50/09/643595009.db2.gz SWFOZWZTXKTBJT-SNVBAGLBSA-N 0 0 277.755 2.995 20 10 CFCDRN CCn1ncc(NCc2cc(OC)ccc2O)c1C ZINC000877832048 643598411 /nfs/dbraw/zinc/59/84/11/643598411.db2.gz FMUAVICVZKPSOM-UHFFFAOYSA-N 0 0 261.325 2.538 20 10 CFCDRN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877836481 643603872 /nfs/dbraw/zinc/60/38/72/643603872.db2.gz YKOIDEGYHQPIGI-JTQLQIEISA-N 0 0 287.762 2.778 20 10 CFCDRN CCOc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2)c(O)c1 ZINC000877860862 643609778 /nfs/dbraw/zinc/60/97/78/643609778.db2.gz BSSBLEXSLSULPA-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN Cc1ccc2c(c1)N[C@H](c1cccc(F)c1O)NC2=O ZINC000877865344 643613364 /nfs/dbraw/zinc/61/33/64/643613364.db2.gz YNDVPDBHRJTDAW-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)COC2CC2)cc1 ZINC000877989709 643681865 /nfs/dbraw/zinc/68/18/65/643681865.db2.gz BUWSYLDOGUQINN-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]cc1C1CC1 ZINC000878277271 643818427 /nfs/dbraw/zinc/81/84/27/643818427.db2.gz QCRMIIXATXSVBJ-UHFFFAOYSA-N 0 0 270.332 2.870 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCc3ncnn32)cc1 ZINC000878513245 643922579 /nfs/dbraw/zinc/92/25/79/643922579.db2.gz YKUGAEVJWIUSSF-AWEZNQCLSA-N 0 0 286.379 2.689 20 10 CFCDRN CC1(C)CC[C@H](CC(=O)NCc2ccccc2O)OC1 ZINC000878559423 643941471 /nfs/dbraw/zinc/94/14/71/643941471.db2.gz GMJHCBQOKWBAGR-CYBMUJFWSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@H]1C)CCC2 ZINC000878710057 644000203 /nfs/dbraw/zinc/00/02/03/644000203.db2.gz AXXWSKTVBXEZPI-GXTWGEPZSA-N 0 0 291.391 2.881 20 10 CFCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)c(C)cn1 ZINC000879074405 644134875 /nfs/dbraw/zinc/13/48/75/644134875.db2.gz RMBISFFIHUVZHI-GFCCVEGCSA-N 0 0 285.347 2.709 20 10 CFCDRN O=C(NCc1ccccc1O)NC1(C(F)(F)F)CCC1 ZINC000879378087 644247582 /nfs/dbraw/zinc/24/75/82/644247582.db2.gz YXHYSBRZIFYAGT-UHFFFAOYSA-N 0 0 288.269 2.676 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000127871431 644342409 /nfs/dbraw/zinc/34/24/09/644342409.db2.gz MNORHDMXULUTFG-UHFFFAOYSA-N 0 0 268.788 2.621 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000879992217 644484353 /nfs/dbraw/zinc/48/43/53/644484353.db2.gz PBEQTVKAUUZPSK-DHZHZOJOSA-N 0 0 295.386 2.819 20 10 CFCDRN CC1(C(=O)[O-])CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128821494 644913021 /nfs/dbraw/zinc/91/30/21/644913021.db2.gz ZPOZQCQXNSROOK-UHFFFAOYSA-N 0 0 283.755 2.732 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000881284307 644943551 /nfs/dbraw/zinc/94/35/51/644943551.db2.gz ZZNXKVGIOREMQM-NSHDSACASA-N 0 0 297.349 2.740 20 10 CFCDRN Cc1cc(Cn2cc(C(=O)C3CCC3)nn2)ccc1N(C)C ZINC000881377360 644963876 /nfs/dbraw/zinc/96/38/76/644963876.db2.gz KONVZBOFDQXUPU-UHFFFAOYSA-N 0 0 298.390 2.684 20 10 CFCDRN CC1(C)CO[C@H](CCC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000881428068 644971339 /nfs/dbraw/zinc/97/13/39/644971339.db2.gz BXRWZRAEKFZQJS-CYBMUJFWSA-N 0 0 289.375 2.830 20 10 CFCDRN CCn1ncc(C(=O)N2Cc3cccc(O)c3C2)c1C1CC1 ZINC000881428637 644972083 /nfs/dbraw/zinc/97/20/83/644972083.db2.gz IGKVYFGDWSXTDD-UHFFFAOYSA-N 0 0 297.358 2.642 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)c1ccccc1O ZINC000881440699 644975627 /nfs/dbraw/zinc/97/56/27/644975627.db2.gz MBRBXNJOYKGDPP-GLKRBJQHSA-N 0 0 299.374 2.659 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCCN3CCOC3=O)cc12 ZINC000882993931 645550602 /nfs/dbraw/zinc/55/06/02/645550602.db2.gz MEPUHTWDAJBKCV-UHFFFAOYSA-N 0 0 288.347 2.626 20 10 CFCDRN CCCC[C@@H](COC)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883014012 645562269 /nfs/dbraw/zinc/56/22/69/645562269.db2.gz GGRUQKCHZULKOF-LBPRGKRZSA-N 0 0 273.323 2.965 20 10 CFCDRN COCCCn1ccc(NCc2cc(F)cc(F)c2O)n1 ZINC000883043201 645579836 /nfs/dbraw/zinc/57/98/36/645579836.db2.gz ZPGNGGYMRRWFRD-UHFFFAOYSA-N 0 0 297.305 2.516 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883050784 645583267 /nfs/dbraw/zinc/58/32/67/645583267.db2.gz ZUZDUFNQIGGDAN-LBPRGKRZSA-N 0 0 283.318 2.862 20 10 CFCDRN CCOCCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883073826 645592869 /nfs/dbraw/zinc/59/28/69/645592869.db2.gz CFSPFFGEFRFDTD-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082777 645597165 /nfs/dbraw/zinc/59/71/65/645597165.db2.gz QFVZXUVWAWCJJQ-NOZJJQNGSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCCCCC1 ZINC000883101438 645604409 /nfs/dbraw/zinc/60/44/09/645604409.db2.gz IGZUASBEEOAOJT-GFCCVEGCSA-N 0 0 292.379 2.614 20 10 CFCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000883106456 645606838 /nfs/dbraw/zinc/60/68/38/645606838.db2.gz SXOQCIWXOGHWPA-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CCCCOCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000131062961 645617531 /nfs/dbraw/zinc/61/75/31/645617531.db2.gz UVLKQOAHWBVPSW-UHFFFAOYSA-N 0 0 297.395 2.965 20 10 CFCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883130527 645617653 /nfs/dbraw/zinc/61/76/53/645617653.db2.gz INBFGUNLIMYBGX-HNNXBMFYSA-N 0 0 285.334 2.701 20 10 CFCDRN CCCc1ncc(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883136399 645620996 /nfs/dbraw/zinc/62/09/96/645620996.db2.gz BTLVDACBTZWMKC-UHFFFAOYSA-N 0 0 282.290 2.901 20 10 CFCDRN COCC1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883152435 645629141 /nfs/dbraw/zinc/62/91/41/645629141.db2.gz VJUYGJZLOCOFTB-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883174970 645641128 /nfs/dbraw/zinc/64/11/28/645641128.db2.gz WFHMVQSWPYOAFS-UHFFFAOYSA-N 0 0 293.317 2.571 20 10 CFCDRN Cc1cc(O)c(CNC2(c3ncccn3)CCC2)cc1C ZINC000883307140 645730690 /nfs/dbraw/zinc/73/06/90/645730690.db2.gz MZLMNHGCIKOKJK-UHFFFAOYSA-N 0 0 283.375 2.968 20 10 CFCDRN CN(C[C@H]1CCC2(CCOCC2)CO1)c1ccc(N)cc1 ZINC000883437086 645830585 /nfs/dbraw/zinc/83/05/85/645830585.db2.gz JFRLCUHNYFDFKP-MRXNPFEDSA-N 0 0 290.407 2.681 20 10 CFCDRN COc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000133069543 646020870 /nfs/dbraw/zinc/02/08/70/646020870.db2.gz ASKJJNUKVBDPPN-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN C=C/C=C\CCNC(=O)N(C)Cc1ccccc1O ZINC000883913517 646036879 /nfs/dbraw/zinc/03/68/79/646036879.db2.gz XHXISHHARSRDGP-PLNGDYQASA-N 0 0 260.337 2.666 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000884009355 646094038 /nfs/dbraw/zinc/09/40/38/646094038.db2.gz UHHDDKQSWBYHDG-AWEZNQCLSA-N 0 0 274.364 2.947 20 10 CFCDRN CC1(C)CC[C@H](CC(=O)NCCc2ccc(N)cc2)OC1 ZINC000884028770 646119599 /nfs/dbraw/zinc/11/95/99/646119599.db2.gz QSHNWFTVFVJFBB-OAHLLOKOSA-N 0 0 290.407 2.523 20 10 CFCDRN CCc1ccsc1C(=O)NCc1ccccc1O ZINC000133750396 646220552 /nfs/dbraw/zinc/22/05/52/646220552.db2.gz OODIGZJFESYZIX-UHFFFAOYSA-N 0 0 261.346 2.946 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(C)c1 ZINC000133780332 646227116 /nfs/dbraw/zinc/22/71/16/646227116.db2.gz OEGXVGQIIOHGRR-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN CN(C(=O)CC[C@@H]1CC(C)(C)CO1)c1ccc(N)cc1 ZINC000884442201 646360506 /nfs/dbraw/zinc/36/05/06/646360506.db2.gz YXVFJZYRGBWSOO-CQSZACIVSA-N 0 0 276.380 2.827 20 10 CFCDRN Cc1ccnc(NCc2ccccc2O)c1[N+](=O)[O-] ZINC000134679666 646377411 /nfs/dbraw/zinc/37/74/11/646377411.db2.gz SASIEYOOMFEXGM-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CSc2ccccc21 ZINC000134787386 646381959 /nfs/dbraw/zinc/38/19/59/646381959.db2.gz UGTPCZBSKSAWCY-CYBMUJFWSA-N 0 0 285.368 2.898 20 10 CFCDRN O=C(NCC1CCC=CCC1)C1=CC(=O)CS1 ZINC000886015922 646818135 /nfs/dbraw/zinc/81/81/35/646818135.db2.gz VLUPBYVTOOQDRW-UHFFFAOYSA-N 0 0 251.351 2.930 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@]23CCOC3)cc1F ZINC000886040410 646836823 /nfs/dbraw/zinc/83/68/23/646836823.db2.gz YCSLLXYTBVDRFN-ABAIWWIYSA-N 0 0 265.328 2.697 20 10 CFCDRN CN(C)c1ccc(CNc2cccc(-n3ccnn3)c2)cc1 ZINC000136827149 646869141 /nfs/dbraw/zinc/86/91/41/646869141.db2.gz ZWDBZDVVPPAXSR-UHFFFAOYSA-N 0 0 293.374 2.945 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000886391921 646994910 /nfs/dbraw/zinc/99/49/10/646994910.db2.gz HDVLLQGPDSMECR-UHFFFAOYSA-N 0 0 262.309 2.723 20 10 CFCDRN CCN1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886491464 647017922 /nfs/dbraw/zinc/01/79/22/647017922.db2.gz FEZNAOCFEAHNQK-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886500053 647021169 /nfs/dbraw/zinc/02/11/69/647021169.db2.gz DEJBNRPVJYCKOF-WDEREUQCSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H]([NH2+]CCCCn1ccnc1)c1c([O-])cccc1F ZINC000886508513 647023601 /nfs/dbraw/zinc/02/36/01/647023601.db2.gz BYDKFOUZCMIZOA-LBPRGKRZSA-N 0 0 277.343 2.859 20 10 CFCDRN CC[N@H+](CCN[C@H](C)c1c(O)cccc1F)C(C)C ZINC000886520997 647027114 /nfs/dbraw/zinc/02/71/14/647027114.db2.gz ROEMCFAPCPVQNP-GFCCVEGCSA-N 0 0 268.376 2.912 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886532477 647032627 /nfs/dbraw/zinc/03/26/27/647032627.db2.gz JRFJZRDRLYMDPX-DCAQKATOSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c([O-])cccc1F ZINC000886540700 647037723 /nfs/dbraw/zinc/03/77/23/647037723.db2.gz JKWAPBFIKNEGAP-IJLUTSLNSA-N 0 0 267.344 2.733 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561979 647048083 /nfs/dbraw/zinc/04/80/83/647048083.db2.gz NWZYITCZQXIEJU-MISXGVKJSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886588128 647056322 /nfs/dbraw/zinc/05/63/22/647056322.db2.gz LKLNAHZEPQWCGJ-SRVKXCTJSA-N 0 0 267.344 2.997 20 10 CFCDRN C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886594957 647059684 /nfs/dbraw/zinc/05/96/84/647059684.db2.gz XPDJUUCYOXKODF-CBZSPVTBSA-N 0 0 253.317 2.509 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886607576 647065436 /nfs/dbraw/zinc/06/54/36/647065436.db2.gz UQBWKVUNDNVLHL-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886619223 647071825 /nfs/dbraw/zinc/07/18/25/647071825.db2.gz XBGSHWGNPLPQQM-YGRLFVJLSA-N 0 0 255.333 2.997 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886623486 647073340 /nfs/dbraw/zinc/07/33/40/647073340.db2.gz FIPMMEXYNFILFJ-GARJFASQSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1c([O-])cccc1F ZINC000886626717 647075501 /nfs/dbraw/zinc/07/55/01/647075501.db2.gz JKNFIZMQNFNVNE-TUAOUCFPSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H](N[C@@H](C)c1c(O)cccc1F)c1csnn1 ZINC000886626920 647075681 /nfs/dbraw/zinc/07/56/81/647075681.db2.gz ODLPSNQJBDGHQW-YUMQZZPRSA-N 0 0 267.329 2.795 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1c([O-])cccc1F ZINC000886627125 647076571 /nfs/dbraw/zinc/07/65/71/647076571.db2.gz TZKCXYWYQJCYOO-PLMOITTCSA-N 0 0 289.297 2.731 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886636053 647080528 /nfs/dbraw/zinc/08/05/28/647080528.db2.gz FIPMMEXYNFILFJ-DCAQKATOSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1c([O-])cccc1F ZINC000886637684 647081440 /nfs/dbraw/zinc/08/14/40/647081440.db2.gz CEQXJPYWKGEAFR-JTQLQIEISA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]([NH2+]CC1SCCS1)c1c([O-])cccc1F ZINC000886640458 647083466 /nfs/dbraw/zinc/08/34/66/647083466.db2.gz ZVMCJWHKVBPVRP-MRVPVSSYSA-N 0 0 273.398 2.988 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886651775 647090262 /nfs/dbraw/zinc/09/02/62/647090262.db2.gz QVDFBCQBICTFHG-MXWKQRLJSA-N 0 0 253.317 2.607 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nnc(CSC)[n-]1)c1ccccc1O ZINC000886757719 647128838 /nfs/dbraw/zinc/12/88/38/647128838.db2.gz PEBLTYYIXZDGEI-LLVKDONJSA-N 0 0 292.408 2.614 20 10 CFCDRN Nc1ccc(CNC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000886920993 647175210 /nfs/dbraw/zinc/17/52/10/647175210.db2.gz SYRWGOVVNSPWKE-OAHLLOKOSA-N 0 0 288.391 2.624 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn2cccnc2n1 ZINC000887571141 647360160 /nfs/dbraw/zinc/36/01/60/647360160.db2.gz ZUMDMIFTHWWEEW-UHFFFAOYSA-N 0 0 294.358 2.691 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(Cc1ccoc1)C1CC1 ZINC000889090361 647489856 /nfs/dbraw/zinc/48/98/56/647489856.db2.gz HRPWEJDRHPSBFQ-UHFFFAOYSA-N 0 0 263.318 2.852 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925862881 648349333 /nfs/dbraw/zinc/34/93/33/648349333.db2.gz ZEJAOCYEYUBEKN-GMSGAONNSA-N 0 0 291.178 2.643 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCS[C@H](C)C2)c1 ZINC000927231511 648742625 /nfs/dbraw/zinc/74/26/25/648742625.db2.gz IUKGPLZYAZIBJH-DGCLKSJQSA-N 0 0 294.420 2.784 20 10 CFCDRN CC[C@@H]1C[C@H](CC(=O)NCc2c(O)cccc2F)CCO1 ZINC000928707747 648945609 /nfs/dbraw/zinc/94/56/09/648945609.db2.gz HODAEDYFMYSEEE-VXGBXAGGSA-N 0 0 295.354 2.743 20 10 CFCDRN CCC[C@@H](CC)C(=O)NCc1c(O)cccc1F ZINC000928709877 648945883 /nfs/dbraw/zinc/94/58/83/648945883.db2.gz MVUXOGYZMDDMOU-SNVBAGLBSA-N 0 0 253.317 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1cccnc1C1CC1 ZINC000928708987 648945892 /nfs/dbraw/zinc/94/58/92/648945892.db2.gz URCOBKIIURUWKE-UHFFFAOYSA-N 0 0 286.306 2.734 20 10 CFCDRN Cc1oc(C(C)C)nc1C(=O)NCc1c(O)cccc1F ZINC000928708734 648945987 /nfs/dbraw/zinc/94/59/87/648945987.db2.gz RSWJTDIPDBAZRM-UHFFFAOYSA-N 0 0 292.310 2.881 20 10 CFCDRN CCOCCOCCN1CCCc2cc(OC)ccc21 ZINC000929236563 649010709 /nfs/dbraw/zinc/01/07/09/649010709.db2.gz ISVRVUWGAIYQBQ-UHFFFAOYSA-N 0 0 279.380 2.501 20 10 CFCDRN CCN(Cc1nn(C)cc1C)c1ccc(OC)c(OC)c1 ZINC000929897688 649146762 /nfs/dbraw/zinc/14/67/62/649146762.db2.gz NBHPOCZFNXHDQP-UHFFFAOYSA-N 0 0 289.379 2.772 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nncs2)cc1 ZINC000929912877 649149282 /nfs/dbraw/zinc/14/92/82/649149282.db2.gz GBOMCOWQIIRQSH-UHFFFAOYSA-N 0 0 263.366 2.963 20 10 CFCDRN CCc1ncc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000930127328 649190622 /nfs/dbraw/zinc/19/06/22/649190622.db2.gz OVFQJOBSOGPJAM-UHFFFAOYSA-N 0 0 287.363 2.702 20 10 CFCDRN COc1ccc(N(CCO[C@@H]2CCOC2)CC2CC2)cc1 ZINC000930637905 649294268 /nfs/dbraw/zinc/29/42/68/649294268.db2.gz CQVGYLCXLMCCOH-QGZVFWFLSA-N 0 0 291.391 2.717 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000932014847 649524998 /nfs/dbraw/zinc/52/49/98/649524998.db2.gz ZTSCMPPFDFGKIC-WSROAFLRSA-N 0 0 281.359 2.659 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@]12CCO[C@H]1CCCC2 ZINC000934704775 649817616 /nfs/dbraw/zinc/81/76/16/649817616.db2.gz ILLHEWBQUJCZAE-DOTOQJQBSA-N 0 0 289.375 2.700 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)COC(F)(F)F ZINC000934706590 649818367 /nfs/dbraw/zinc/81/83/67/649818367.db2.gz OFSACXIVSGNRFV-UHFFFAOYSA-N 0 0 291.269 2.667 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000098122230 651070243 /nfs/dbraw/zinc/07/02/43/651070243.db2.gz SHKDTRASODGXBW-VXGBXAGGSA-N 0 0 264.369 2.968 20 10 CFCDRN Nc1ncccc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001243477483 782225608 /nfs/dbraw/zinc/22/56/08/782225608.db2.gz QAOAPBIEENXRCP-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN Nc1ncccc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001243472708 782221400 /nfs/dbraw/zinc/22/14/00/782221400.db2.gz NKXSXRLCDKJZLO-UHFFFAOYSA-N 0 0 289.342 2.815 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]CC1CSC1 ZINC000698023493 778630883 /nfs/dbraw/zinc/63/08/83/778630883.db2.gz OLNPIDFOVGJAIU-UHFFFAOYSA-N 0 0 288.210 2.607 20 10 CFCDRN C/C(=C/c1cccnc1)C(=O)NCc1cc(C)ccc1O ZINC001167293687 770227386 /nfs/dbraw/zinc/22/73/86/770227386.db2.gz OGKWTLHJYAPJOH-LCYFTJDESA-N 0 0 282.343 2.815 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2Cc3ccc(F)cc32)c1 ZINC001167293487 770227394 /nfs/dbraw/zinc/22/73/94/770227394.db2.gz GFQBYRHQWFTZMP-HNNXBMFYSA-N 0 0 285.318 2.796 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2ncccc2F)cc1 ZINC001207036436 770320271 /nfs/dbraw/zinc/32/02/71/770320271.db2.gz WMVZKVRWCSDBPN-UHFFFAOYSA-N 0 0 273.355 2.919 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1F ZINC000588403705 770532079 /nfs/dbraw/zinc/53/20/79/770532079.db2.gz WPLPJIKFBMFPQQ-VURMDHGXSA-N 0 0 287.290 2.567 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(F)cc1 ZINC000588403562 770532178 /nfs/dbraw/zinc/53/21/78/770532178.db2.gz QDRILHUZARRKCC-YWEYNIOJSA-N 0 0 287.290 2.567 20 10 CFCDRN Cc1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000588403889 770532230 /nfs/dbraw/zinc/53/22/30/770532230.db2.gz COPFDOPGCONFPQ-HYXAFXHYSA-N 0 0 276.317 2.515 20 10 CFCDRN CC(C)N(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCC1 ZINC000588407008 770539961 /nfs/dbraw/zinc/53/99/61/770539961.db2.gz JRIAFCRPHVEWDU-CLFYSBASSA-N 0 0 275.348 2.901 20 10 CFCDRN CN(C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000721475955 770550974 /nfs/dbraw/zinc/55/09/74/770550974.db2.gz BWCFCFNMWONSJJ-VXGBXAGGSA-N 0 0 274.286 2.815 20 10 CFCDRN Cc1nc2c(s1)CN(Cc1cc(C)ccc1O)C2 ZINC001140623915 773222459 /nfs/dbraw/zinc/22/24/59/773222459.db2.gz XBZFHGMJLQNJGS-UHFFFAOYSA-N 0 0 260.362 2.981 20 10 CFCDRN COc1ccc(N2CC3(CN(Cc4ccc[nH]4)C3)C2)c(C)c1 ZINC001277019032 775352029 /nfs/dbraw/zinc/35/20/29/775352029.db2.gz SYEWFFRLFNWGAH-UHFFFAOYSA-N 0 0 297.402 2.654 20 10 CFCDRN CCN(C(=O)/C=C\c1cccnc1C)c1cccnc1 ZINC001125801524 775422560 /nfs/dbraw/zinc/42/25/60/775422560.db2.gz IKNCTBOSACIVLE-HJWRWDBZSA-N 0 0 267.332 2.851 20 10 CFCDRN CCc1nc(CN(C)C(=O)Nc2ccc(N)cc2)cs1 ZINC000328483425 775748095 /nfs/dbraw/zinc/74/80/95/775748095.db2.gz QJUTWFBXBOKQQE-UHFFFAOYSA-N 0 0 290.392 2.952 20 10 CFCDRN CCCCOC(=O)[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939112 776335222 /nfs/dbraw/zinc/33/52/22/776335222.db2.gz LXFWIQFFVPBBMG-LBPRGKRZSA-N 0 0 265.353 2.863 20 10 CFCDRN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000398707225 776437042 /nfs/dbraw/zinc/43/70/42/776437042.db2.gz BLWHVQGEBYMVHI-VHSXEESVSA-N 0 0 283.755 2.588 20 10 CFCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@@H]3CCO3)ccc21 ZINC001231265608 777181538 /nfs/dbraw/zinc/18/15/38/777181538.db2.gz HEZJNCVFZFQSLS-LBPRGKRZSA-N 0 0 294.306 2.630 20 10 CFCDRN C[C@@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446164 777221225 /nfs/dbraw/zinc/22/12/25/777221225.db2.gz FENYSKCNZDXATC-OAHLLOKOSA-N 0 0 281.327 2.805 20 10 CFCDRN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CC(F)(F)C1 ZINC001231453057 777223420 /nfs/dbraw/zinc/22/34/20/777223420.db2.gz DUOMSEYPAPJVJP-UHFFFAOYSA-N 0 0 285.290 2.568 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3ccsc3C2)c(O)c1 ZINC001231452126 777224252 /nfs/dbraw/zinc/22/42/52/777224252.db2.gz DZQXCKGPVSBVDZ-UHFFFAOYSA-N 0 0 289.356 2.710 20 10 CFCDRN CC[N@H+](Cc1ccccn1)Cc1cc(C(=O)[O-])ccc1O ZINC001231564904 777260548 /nfs/dbraw/zinc/26/05/48/777260548.db2.gz JSLXNWGRWNLEDI-UHFFFAOYSA-N 0 0 286.331 2.508 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC001231563862 777261136 /nfs/dbraw/zinc/26/11/36/777261136.db2.gz RZTODSPXOWVQCG-UHFFFAOYSA-N 0 0 289.356 2.710 20 10 CFCDRN CC[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231563509 777261281 /nfs/dbraw/zinc/26/12/81/777261281.db2.gz BXHJTCQIOOHWFZ-ZDUSSCGKSA-N 0 0 263.337 2.855 20 10 CFCDRN Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001231590558 777270707 /nfs/dbraw/zinc/27/07/07/777270707.db2.gz HJAOWFLFPNZBFP-SUMWQHHRSA-N 0 0 269.344 2.766 20 10 CFCDRN COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(O)cc1O ZINC001231633997 777287455 /nfs/dbraw/zinc/28/74/55/777287455.db2.gz FSCNJNYINGAQRL-VIFPVBQESA-N 0 0 287.306 2.584 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1Cc2ncsc2C1 ZINC001231854594 777351605 /nfs/dbraw/zinc/35/16/05/777351605.db2.gz FZBZDQGVSRGIOI-UHFFFAOYSA-N 0 0 289.404 2.734 20 10 CFCDRN COc1cc(N(C)C)ccc1CN(C)Cc1nccs1 ZINC001231855396 777352196 /nfs/dbraw/zinc/35/21/96/777352196.db2.gz RSWRBCIAVAGPEL-UHFFFAOYSA-N 0 0 291.420 2.850 20 10 CFCDRN Cc1cc(O)c(CN2CCCC(=O)[C@@H](F)C2)cc1Cl ZINC001231867239 777357005 /nfs/dbraw/zinc/35/70/05/777357005.db2.gz IXGROHZPKBQPQW-LBPRGKRZSA-N 0 0 285.746 2.857 20 10 CFCDRN Oc1c(CN2CCO[C@H]3C[C@H]32)ccc2ccccc21 ZINC001231881747 777365203 /nfs/dbraw/zinc/36/52/03/777365203.db2.gz BMQLYIUJXAMESC-CABCVRRESA-N 0 0 255.317 2.519 20 10 CFCDRN CC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912541 777380371 /nfs/dbraw/zinc/38/03/71/777380371.db2.gz MEJCVNRRBKXWFP-NSHDSACASA-N 0 0 267.756 2.847 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001231912723 777381214 /nfs/dbraw/zinc/38/12/14/777381214.db2.gz USNVDFJIMKIIHY-UHFFFAOYSA-N 0 0 298.789 2.664 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001231914400 777382726 /nfs/dbraw/zinc/38/27/26/777382726.db2.gz LARKMZCWWJHRPK-LBPRGKRZSA-N 0 0 297.782 2.773 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)cc1Cl ZINC001232263998 777497879 /nfs/dbraw/zinc/49/78/79/777497879.db2.gz BYPXNGOQFACGBA-UHFFFAOYSA-N 0 0 297.782 2.667 20 10 CFCDRN COc1cc(O)c(CN2CCC(=O)[C@@H](C)CC2)cc1Cl ZINC001232267001 777499352 /nfs/dbraw/zinc/49/93/52/777499352.db2.gz USHPSHWORUGHPR-JTQLQIEISA-N 0 0 297.782 2.855 20 10 CFCDRN COc1cc(O)c(CN2CCOCC2(C)C)cc1Cl ZINC001232269931 777501354 /nfs/dbraw/zinc/50/13/54/777501354.db2.gz OFHPVUHLJUSHHN-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN Cc1cc(Cl)cnc1NCCc1cc(O)c(O)cc1O ZINC001168006062 777578536 /nfs/dbraw/zinc/57/85/36/777578536.db2.gz RLCPQBJCUVYLAK-UHFFFAOYSA-N 0 0 294.738 2.815 20 10 CFCDRN Cc1c(Cl)ccnc1NCCc1cc(O)c(O)cc1O ZINC001168011078 777613161 /nfs/dbraw/zinc/61/31/61/777613161.db2.gz SZHNFYUVAMJABX-UHFFFAOYSA-N 0 0 294.738 2.815 20 10 CFCDRN COCc1ccc(NCCc2cc(O)c(O)cc2O)cc1 ZINC001168013766 777633487 /nfs/dbraw/zinc/63/34/87/777633487.db2.gz JJEQLBXFMNNSFA-UHFFFAOYSA-N 0 0 289.331 2.604 20 10 CFCDRN C[C@H]1c2ccccc2CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233010203 777762336 /nfs/dbraw/zinc/76/23/36/777762336.db2.gz NIDKQAAQTDDTHH-NSHDSACASA-N 0 0 285.343 2.923 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1csc(Cl)n1 ZINC000692692880 777788527 /nfs/dbraw/zinc/78/85/27/777788527.db2.gz PEMWBCUOTZYDMW-UHFFFAOYSA-N 0 0 282.752 2.774 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)ccc(F)c1F ZINC001233076878 777789481 /nfs/dbraw/zinc/78/94/81/777789481.db2.gz WSCLKNHKXSUSKZ-OAHLLOKOSA-N 0 0 283.318 2.815 20 10 CFCDRN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCC[C@]1(C)O ZINC001233076928 777789796 /nfs/dbraw/zinc/78/97/96/777789796.db2.gz YANXMLFXEUZDNR-BONVTDFDSA-N 0 0 285.334 2.653 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CC[C@@H](O)[C@H](F)C2)c1 ZINC001233284286 777865662 /nfs/dbraw/zinc/86/56/62/777865662.db2.gz OXXYUITWJDXUFQ-UKRRQHHQSA-N 0 0 281.371 2.594 20 10 CFCDRN COc1cc(Cl)cc(CN2CC3(CSC3)C2)c1O ZINC001233290777 777868934 /nfs/dbraw/zinc/86/89/34/777868934.db2.gz VQQWLBRALRMIQO-UHFFFAOYSA-N 0 0 285.796 2.603 20 10 CFCDRN COc1cc(Cl)cc(C[N@H+](CCCO)C(C)C)c1O ZINC001233289829 777869990 /nfs/dbraw/zinc/86/99/90/777869990.db2.gz QUWOPQHASNYDSI-UHFFFAOYSA-N 0 0 287.787 2.647 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001233332540 777891421 /nfs/dbraw/zinc/89/14/21/777891421.db2.gz OOBGSEDNSWMOJG-HNNXBMFYSA-N 0 0 283.318 2.815 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)CC[C@@]1(C)O ZINC001233332461 777891586 /nfs/dbraw/zinc/89/15/86/777891586.db2.gz LWTRFBYDXMNRTN-MEBBXXQBSA-N 0 0 285.334 2.653 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CCc2occc2C1 ZINC001233335683 777895976 /nfs/dbraw/zinc/89/59/76/777895976.db2.gz GYDGHQXCEODTIK-UHFFFAOYSA-N 0 0 265.259 2.822 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)[C@@H](C)C1 ZINC001233336512 777897437 /nfs/dbraw/zinc/89/74/37/777897437.db2.gz OKLSSJJEWQHVTE-VHSXEESVSA-N 0 0 271.307 2.670 20 10 CFCDRN Cc1nc2c(s1)CN(Cc1c(O)ccc(F)c1F)C2 ZINC001233336283 777897978 /nfs/dbraw/zinc/89/79/78/777897978.db2.gz GHHHMHFVJSBVQM-UHFFFAOYSA-N 0 0 282.315 2.951 20 10 CFCDRN Oc1c(CN2CCn3ccnc3C2)cccc1C(F)(F)F ZINC001233416788 777943054 /nfs/dbraw/zinc/94/30/54/777943054.db2.gz WSAAOBMQCOGJCJ-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN C[C@@H]1CC(=O)CCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233451873 777958136 /nfs/dbraw/zinc/95/81/36/777958136.db2.gz CGADJHGWXKGBND-SECBINFHSA-N 0 0 287.281 2.964 20 10 CFCDRN CC[N@H+](Cc1cccs1)Cc1cc(O)c(O)cc1O ZINC001233486730 777964010 /nfs/dbraw/zinc/96/40/10/777964010.db2.gz ZKROUFIMLQNUEC-UHFFFAOYSA-N 0 0 279.361 2.887 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCOC1 ZINC001233496301 777968990 /nfs/dbraw/zinc/96/89/90/777968990.db2.gz QZVIMOVDVFKEJU-SNVBAGLBSA-N 0 0 280.320 2.638 20 10 CFCDRN C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233728126 778057246 /nfs/dbraw/zinc/05/72/46/778057246.db2.gz SUQNZGWLRLBTJP-VIFPVBQESA-N 0 0 291.269 2.512 20 10 CFCDRN COC(C)(C)C[C@@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948667 778120592 /nfs/dbraw/zinc/12/05/92/778120592.db2.gz IEOUULCDPUIVPS-SECBINFHSA-N 0 0 292.335 2.623 20 10 CFCDRN CC[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C(C)C ZINC001233948410 778120622 /nfs/dbraw/zinc/12/06/22/778120622.db2.gz GQGWPKCPTVWIFI-CYBMUJFWSA-N 0 0 262.309 2.854 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC001168168482 778199036 /nfs/dbraw/zinc/19/90/36/778199036.db2.gz AKKIMMVSRFPLJB-QFWMXSHPSA-N 0 0 295.354 2.673 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)C(F)(F)F ZINC001234474914 778234042 /nfs/dbraw/zinc/23/40/42/778234042.db2.gz ZNKVBOBMOAYYLB-ZCFIWIBFSA-N 0 0 264.199 2.630 20 10 CFCDRN COc1ccc2ccc(O)c(CN3CC(F)C3)c2c1 ZINC001234518347 778241947 /nfs/dbraw/zinc/24/19/47/778241947.db2.gz HYYHWIINOUNQGP-UHFFFAOYSA-N 0 0 261.296 2.708 20 10 CFCDRN Cn1c(N(CCO)c2ccc(N)cc2)cc2ccccc21 ZINC001212046918 778331702 /nfs/dbraw/zinc/33/17/02/778331702.db2.gz MAWFHAPUPPSQQR-UHFFFAOYSA-N 0 0 281.359 2.891 20 10 CFCDRN OC[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993456 778346816 /nfs/dbraw/zinc/34/68/16/778346816.db2.gz CTVNXIFXJOWAGN-CQSZACIVSA-N 0 0 283.371 2.873 20 10 CFCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C1CC1 ZINC001235056616 778368623 /nfs/dbraw/zinc/36/86/23/778368623.db2.gz BKAABLHOQHNMRV-UHFFFAOYSA-N 0 0 274.133 2.888 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235129236 778394282 /nfs/dbraw/zinc/39/42/82/778394282.db2.gz KYSWXXQOEDSAHZ-OAHLLOKOSA-N 0 0 298.789 2.903 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCc2cnccc2C1 ZINC001142509022 778395763 /nfs/dbraw/zinc/39/57/63/778395763.db2.gz UDXZELWMOBQFDJ-UHFFFAOYSA-N 0 0 276.286 2.624 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001142508983 778395970 /nfs/dbraw/zinc/39/59/70/778395970.db2.gz RQYHWNYPFMBHJN-UHFFFAOYSA-N 0 0 275.245 2.902 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001142527202 778401725 /nfs/dbraw/zinc/40/17/25/778401725.db2.gz ODVIGBJDCHKFSU-HGNGGELXSA-N 0 0 257.255 2.603 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCc2ccncc2C1 ZINC001142525145 778401940 /nfs/dbraw/zinc/40/19/40/778401940.db2.gz ZPHLXTHJNWPQLW-UHFFFAOYSA-N 0 0 276.286 2.624 20 10 CFCDRN COCOc1ccc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001235951246 778623741 /nfs/dbraw/zinc/62/37/41/778623741.db2.gz DHVOBDFEUFRWMM-UHFFFAOYSA-N 0 0 288.347 2.549 20 10 CFCDRN CCn1ccc(-c2cccnc2OC(C)C)cc1=O ZINC001236106857 778696718 /nfs/dbraw/zinc/69/67/18/778696718.db2.gz XTIYZWAFGKLACK-UHFFFAOYSA-N 0 0 258.321 2.717 20 10 CFCDRN Oc1c(F)c(F)ccc1Nc1ccncc1Cl ZINC001212160181 778779310 /nfs/dbraw/zinc/77/93/10/778779310.db2.gz LPZXTEYUFSHBOT-UHFFFAOYSA-N 0 0 256.639 2.884 20 10 CFCDRN Cc1cc(Br)c(O)c(CN2CCCC(=O)C2)c1 ZINC001236665975 778906801 /nfs/dbraw/zinc/90/68/01/778906801.db2.gz MHIVPIYEUSTPDO-UHFFFAOYSA-N 0 0 298.180 2.628 20 10 CFCDRN CCc1ccc(CN2CC(F)(F)C[C@]2(C)CO)c(O)c1 ZINC001236782736 778933221 /nfs/dbraw/zinc/93/32/21/778933221.db2.gz DJOKHSLMGUCNDM-CQSZACIVSA-N 0 0 285.334 2.547 20 10 CFCDRN CCc1ccc(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)c(O)c1 ZINC001236791088 778936576 /nfs/dbraw/zinc/93/65/76/778936576.db2.gz DETRXKTTWCSLDR-DOMZBBRYSA-N 0 0 291.391 2.728 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001236789594 778937035 /nfs/dbraw/zinc/93/70/35/778937035.db2.gz ZPALVYDDVLWADR-OAHLLOKOSA-N 0 0 263.381 2.811 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001236792180 778938405 /nfs/dbraw/zinc/93/84/05/778938405.db2.gz CPEJWOSZIKVOCZ-PWSUYJOCSA-N 0 0 294.153 2.604 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC001236793392 778938599 /nfs/dbraw/zinc/93/85/99/778938599.db2.gz VWERSPUNAZRRHK-OAHLLOKOSA-N 0 0 263.381 2.690 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(CC(O)C2)C1 ZINC001236794937 778940823 /nfs/dbraw/zinc/94/08/23/778940823.db2.gz WZLAXXIERVFPAD-UHFFFAOYSA-N 0 0 288.174 2.656 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001236795175 778941010 /nfs/dbraw/zinc/94/10/10/778941010.db2.gz AHOVPMYGJUIFQZ-DTORHVGOSA-N 0 0 274.147 2.672 20 10 CFCDRN COc1cc(O)c(CN2CCCC(=O)CC2)c(Cl)c1 ZINC001236795409 778941158 /nfs/dbraw/zinc/94/11/58/778941158.db2.gz KUZWEDUSMOZHFF-UHFFFAOYSA-N 0 0 283.755 2.609 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001236801194 778943009 /nfs/dbraw/zinc/94/30/09/778943009.db2.gz BMDXRJOQJCARTM-CMPLNLGQSA-N 0 0 274.147 2.672 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1Cl ZINC001236803382 778945652 /nfs/dbraw/zinc/94/56/52/778945652.db2.gz SWUMMVFZULQHOT-HNNXBMFYSA-N 0 0 297.782 2.667 20 10 CFCDRN COc1cc(C)c(CN2CCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001236806718 778946726 /nfs/dbraw/zinc/94/67/26/778946726.db2.gz AKPJXNYBFXHFAL-CYBMUJFWSA-N 0 0 289.297 2.888 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC001236805679 778947272 /nfs/dbraw/zinc/94/72/72/778947272.db2.gz ZPXRNLCOJXVESH-AOOOYVTPSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001236808977 778948595 /nfs/dbraw/zinc/94/85/95/778948595.db2.gz SFTMCCCIKYUCQE-QGZVFWFLSA-N 0 0 291.391 2.854 20 10 CFCDRN CC[N@@H+]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C[C@H]1C ZINC001236817130 778952716 /nfs/dbraw/zinc/95/27/16/778952716.db2.gz DEYHJRHMKBXURF-LLVKDONJSA-N 0 0 298.814 2.580 20 10 CFCDRN COC(=O)[C@H](C)N(C)Cc1cc2ccccc2cc1O ZINC001236833079 778959068 /nfs/dbraw/zinc/95/90/68/778959068.db2.gz OBJODKVUSRABQS-NSHDSACASA-N 0 0 273.332 2.539 20 10 CFCDRN O=C1CCN(Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236834359 778959556 /nfs/dbraw/zinc/95/95/56/778959556.db2.gz WQOQHASNEASNFZ-AWEZNQCLSA-N 0 0 273.307 2.658 20 10 CFCDRN COc1ccc2nccc(Nc3cc(C)ccc3O)c2n1 ZINC001214223387 778961556 /nfs/dbraw/zinc/96/15/56/778961556.db2.gz MGHWLWJPGLCINE-UHFFFAOYSA-N 0 0 281.315 2.818 20 10 CFCDRN F[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925813 778983069 /nfs/dbraw/zinc/98/30/69/778983069.db2.gz XOOXGVAWZMCYLH-ZDUSSCGKSA-N 0 0 298.789 2.720 20 10 CFCDRN COC1CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237077032 778999810 /nfs/dbraw/zinc/99/98/10/778999810.db2.gz BRTYKUQXEKPZHA-UHFFFAOYSA-N 0 0 262.136 2.530 20 10 CFCDRN CC(C)c1ccc(CN2CCOCC(F)(F)C2)c(O)c1 ZINC001237045954 778997653 /nfs/dbraw/zinc/99/76/53/778997653.db2.gz NGFXLQBFRACUBS-UHFFFAOYSA-N 0 0 285.334 2.983 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001237049427 778998192 /nfs/dbraw/zinc/99/81/92/778998192.db2.gz OTPISCZVDBOYFE-MRXNPFEDSA-N 0 0 263.381 2.862 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001237048903 778998799 /nfs/dbraw/zinc/99/87/99/778998799.db2.gz ZQCIBBQGQHZBGA-HNNXBMFYSA-N 0 0 263.381 2.862 20 10 CFCDRN CCOc1ccc(CN2CC(F)(C3CC3)C2)c(O)c1 ZINC001237046124 778999093 /nfs/dbraw/zinc/99/90/93/778999093.db2.gz XYHWVPCGTHDPQM-UHFFFAOYSA-N 0 0 265.328 2.725 20 10 CFCDRN CCOc1ccc(CN2Cc3cccnc3C2)c(O)c1 ZINC001237046101 778999098 /nfs/dbraw/zinc/99/90/98/778999098.db2.gz XJXGSADXBZQERS-UHFFFAOYSA-N 0 0 270.332 2.702 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CCOC2 ZINC001237077619 779006074 /nfs/dbraw/zinc/00/60/74/779006074.db2.gz IVHKRDIGWYFZIM-UHFFFAOYSA-N 0 0 288.174 2.921 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237080434 779006419 /nfs/dbraw/zinc/00/64/19/779006419.db2.gz SDOJQAGPTMQCEI-DTORHVGOSA-N 0 0 288.174 2.777 20 10 CFCDRN CC(=O)CN(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237078078 779007676 /nfs/dbraw/zinc/00/76/76/779007676.db2.gz NKFFTMMORYGLFR-UHFFFAOYSA-N 0 0 262.136 2.720 20 10 CFCDRN CC(=O)[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237143168 779024265 /nfs/dbraw/zinc/02/42/65/779024265.db2.gz KBTVVFMKTVMQMI-JTQLQIEISA-N 0 0 287.281 2.822 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001237484304 779118115 /nfs/dbraw/zinc/11/81/15/779118115.db2.gz BCJZFZDNLYDOPF-INIZCTEOSA-N 0 0 263.381 2.685 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001237484348 779118195 /nfs/dbraw/zinc/11/81/95/779118195.db2.gz CQICRGMGSMCLIH-UHFFFAOYSA-N 0 0 297.354 2.988 20 10 CFCDRN CCC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237494411 779120298 /nfs/dbraw/zinc/12/02/98/779120298.db2.gz ICCHMTOLANMVNO-UHFFFAOYSA-N 0 0 290.407 2.533 20 10 CFCDRN Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001237640790 779153169 /nfs/dbraw/zinc/15/31/69/779153169.db2.gz FRYPHWQYOGEQCM-MRXNPFEDSA-N 0 0 287.334 2.765 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC[C@@H](F)C(=O)C2)c1O ZINC001237681279 779159433 /nfs/dbraw/zinc/15/94/33/779159433.db2.gz MOIVMJYDHZYDKP-GFCCVEGCSA-N 0 0 285.746 2.857 20 10 CFCDRN COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)cc(C)c1O ZINC001237689885 779162748 /nfs/dbraw/zinc/16/27/48/779162748.db2.gz RKIDOBUGYKOXBM-ZDUSSCGKSA-N 0 0 299.798 2.983 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2(C1)CCCOC2 ZINC001237800322 779181317 /nfs/dbraw/zinc/18/13/17/779181317.db2.gz NTDMZOVCQQTUKL-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001237799608 779182364 /nfs/dbraw/zinc/18/23/64/779182364.db2.gz SGBSADKVHIFRJQ-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])[C@H]1CO ZINC001237808966 779184023 /nfs/dbraw/zinc/18/40/23/779184023.db2.gz XGJKGBCCBFSBQI-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1O ZINC001237933450 779209957 /nfs/dbraw/zinc/20/99/57/779209957.db2.gz BWLWMRFWIWFWSJ-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H]1CO ZINC001237934985 779210868 /nfs/dbraw/zinc/21/08/68/779210868.db2.gz ONBDITDSDAVCAL-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@H]1CO ZINC001237934988 779211428 /nfs/dbraw/zinc/21/14/28/779211428.db2.gz ONBDITDSDAVCAL-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cc(F)c(Cl)cc2O)[C@H](C)C1 ZINC001237944824 779212789 /nfs/dbraw/zinc/21/27/89/779212789.db2.gz WODQAPBAIKFSKB-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN CC[N@H+](CCn1ccnc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941320 779213247 /nfs/dbraw/zinc/21/32/47/779213247.db2.gz VCDYWNJRSDATHH-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001237950538 779214813 /nfs/dbraw/zinc/21/48/13/779214813.db2.gz WLMJWWVUBINVBW-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(C)c1O ZINC001238063495 779243127 /nfs/dbraw/zinc/24/31/27/779243127.db2.gz XBARIWNGVNVKFM-AWEZNQCLSA-N 0 0 295.354 2.757 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238065799 779244607 /nfs/dbraw/zinc/24/46/07/779244607.db2.gz BDUFGIIOOLWYAA-UHFFFAOYSA-N 0 0 283.343 2.615 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn(C(F)F)c2)cc1=O ZINC001238868617 779409193 /nfs/dbraw/zinc/40/91/93/779409193.db2.gz BVLMXQNNCLHABE-UHFFFAOYSA-N 0 0 267.279 2.763 20 10 CFCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccnc(C)c1 ZINC001127414081 779422519 /nfs/dbraw/zinc/42/25/19/779422519.db2.gz CGLLTPAYYKSKQW-FMIVXFBMSA-N 0 0 267.332 2.851 20 10 CFCDRN COc1cc(SC)c(-c2ncnc3c2ccn3C)cn1 ZINC001239041386 779449474 /nfs/dbraw/zinc/44/94/74/779449474.db2.gz RYTPRSBTGOTUGT-UHFFFAOYSA-N 0 0 286.360 2.761 20 10 CFCDRN CC1=C(C)C[C@H](C(=O)NCc2cccc(O)c2O)CC1 ZINC001123977198 779519759 /nfs/dbraw/zinc/51/97/59/779519759.db2.gz BQYUBZVJDXGWPB-GFCCVEGCSA-N 0 0 275.348 2.851 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(C(N)=O)nc2)cn1 ZINC001239555369 779624358 /nfs/dbraw/zinc/62/43/58/779624358.db2.gz OUQBXQOONXRABX-UHFFFAOYSA-N 0 0 292.342 2.650 20 10 CFCDRN Cc1ncc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC001237621467 779700921 /nfs/dbraw/zinc/70/09/21/779700921.db2.gz AMTUHZKZWXIXRV-UHFFFAOYSA-N 0 0 295.745 2.915 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC(=O)C[C@@H]2C)c1O ZINC001237681901 779706138 /nfs/dbraw/zinc/70/61/38/779706138.db2.gz UMHYKGSEFNMGMG-JTQLQIEISA-N 0 0 267.756 2.907 20 10 CFCDRN COCCn1ccc(-c2cnc3ccccc3c2)cc1=O ZINC001239794382 779777847 /nfs/dbraw/zinc/77/78/47/779777847.db2.gz CTBDIEQNAWGXGC-UHFFFAOYSA-N 0 0 280.327 2.710 20 10 CFCDRN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)c(O)c1O ZINC000888363818 779988973 /nfs/dbraw/zinc/98/89/73/779988973.db2.gz MPYRMRMNBVVIDS-FGWVZKOKSA-N 0 0 293.388 2.563 20 10 CFCDRN c1snnc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001212361716 779993237 /nfs/dbraw/zinc/99/32/37/779993237.db2.gz CAHFHAUYGPXGGZ-UHFFFAOYSA-N 0 0 299.359 2.855 20 10 CFCDRN Cc1cc(F)cc(-c2noc(-c3csnn3)n2)c1F ZINC001212362159 779994042 /nfs/dbraw/zinc/99/40/42/779994042.db2.gz PAKIEMBFROEXIY-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN COc1cc(C)cc(-c2noc(-c3csnn3)n2)c1 ZINC001212362135 779994847 /nfs/dbraw/zinc/99/48/47/779994847.db2.gz OPLBLQOBGXYPOB-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001240224783 780013229 /nfs/dbraw/zinc/01/32/29/780013229.db2.gz KFTLQKJARGAFAR-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN COc1cccc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405387 780094156 /nfs/dbraw/zinc/09/41/56/780094156.db2.gz RCHIERZDRFAHNU-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN Cc1snnc1-c1nc(-c2cc(Cl)cnc2C)no1 ZINC001212405018 780095188 /nfs/dbraw/zinc/09/51/88/780095188.db2.gz DXFKNYNMRSRFHD-UHFFFAOYSA-N 0 0 293.739 2.920 20 10 CFCDRN CC(C)CCn1cc(-c2ccc3ncc(=O)n(C)c3c2)cn1 ZINC001240419340 780152790 /nfs/dbraw/zinc/15/27/90/780152790.db2.gz ZMRUPNKEOQAFLB-UHFFFAOYSA-N 0 0 296.374 2.843 20 10 CFCDRN CC(C)CCn1cc(-c2ncnc3c2ccn3C)cn1 ZINC001240419094 780152895 /nfs/dbraw/zinc/15/28/95/780152895.db2.gz VCQHKLFRDGIMFN-UHFFFAOYSA-N 0 0 269.352 2.878 20 10 CFCDRN Cc1cc2cc(-c3ccc4ncc(=O)n(C)c4c3)cnc2[nH]1 ZINC001240484053 780194570 /nfs/dbraw/zinc/19/45/70/780194570.db2.gz SLCXYNJOGMEWOJ-UHFFFAOYSA-N 0 0 290.326 2.785 20 10 CFCDRN Cn1ccc2ccc(-c3nc(F)nc4[nH]cnc43)cc21 ZINC001240572837 780265593 /nfs/dbraw/zinc/26/55/93/780265593.db2.gz ZFPSWGOVEGWNSX-UHFFFAOYSA-N 0 0 267.267 2.602 20 10 CFCDRN COC(=O)[C@@H](C)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576452 780266964 /nfs/dbraw/zinc/26/69/64/780266964.db2.gz IAMBWVDOXBQJQQ-NSHDSACASA-N 0 0 295.342 2.912 20 10 CFCDRN Cn1ccc2ccc(-c3cc(F)c(=O)n(C)c3)cc21 ZINC001240575905 780267493 /nfs/dbraw/zinc/26/74/93/780267493.db2.gz JHZYRBYEVOMRMC-UHFFFAOYSA-N 0 0 256.280 2.683 20 10 CFCDRN Cn1ccc2ccc(-c3cnc4ncn(C)c4n3)cc21 ZINC001240576164 780267568 /nfs/dbraw/zinc/26/75/68/780267568.db2.gz DNBFJDGCDPKCLB-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnc(C3CC3)nc2)nn1 ZINC001240685375 780357980 /nfs/dbraw/zinc/35/79/80/780357980.db2.gz UVLKRZNHUCXHSB-UHFFFAOYSA-N 0 0 292.346 2.520 20 10 CFCDRN COc1ccc2cc(-c3ccn(C)c(=O)c3)cnc2c1 ZINC001240989052 780576507 /nfs/dbraw/zinc/57/65/07/780576507.db2.gz NDQDQZGDYIXCIM-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN Cc1cc(-c2ccn(C)c(=O)c2)cnc1OCC(F)(F)F ZINC001240998295 780581398 /nfs/dbraw/zinc/58/13/98/780581398.db2.gz RBPKNSSKYPVVMB-UHFFFAOYSA-N 0 0 298.264 2.697 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCCC1 ZINC000700786570 780719459 /nfs/dbraw/zinc/71/94/59/780719459.db2.gz AQUZAJDKXJXXLS-LLVKDONJSA-N 0 0 284.350 2.634 20 10 CFCDRN COC(=O)c1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241338285 780793110 /nfs/dbraw/zinc/79/31/10/780793110.db2.gz MANQGNWZUVMLON-UHFFFAOYSA-N 0 0 295.342 2.557 20 10 CFCDRN Nc1cccnc1C1=CCN(c2ccccc2)CC1 ZINC001241337979 780793189 /nfs/dbraw/zinc/79/31/89/780793189.db2.gz JPZPCIDJUQHQIH-UHFFFAOYSA-N 0 0 251.333 2.958 20 10 CFCDRN O=C1Cc2cc(C3=CCN(c4ccccc4)CC3)cnc2N1 ZINC001241352561 780803722 /nfs/dbraw/zinc/80/37/22/780803722.db2.gz XTBHZIUJWPOSIU-UHFFFAOYSA-N 0 0 291.354 2.870 20 10 CFCDRN COc1ncc(C)cc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001241367404 780819029 /nfs/dbraw/zinc/81/90/29/780819029.db2.gz JUMKAVKTKWDXMB-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN CN(C)c1ccc(-c2cnc3ccn(C)c3c2)cn1 ZINC001241371492 780824921 /nfs/dbraw/zinc/82/49/21/780824921.db2.gz XDWKVVRELMAPAV-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CCCCC[C@H](C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000702071621 780870625 /nfs/dbraw/zinc/87/06/25/780870625.db2.gz PUEXDQJRSNYZHZ-ZDUSSCGKSA-N 0 0 277.412 2.790 20 10 CFCDRN COc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(OC)n1 ZINC001241578731 780995345 /nfs/dbraw/zinc/99/53/45/780995345.db2.gz FTIQLNLMFAVWGW-UHFFFAOYSA-N 0 0 296.326 2.618 20 10 CFCDRN CCOC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000703263559 781001374 /nfs/dbraw/zinc/00/13/74/781001374.db2.gz VQUZLWXKLRFTIH-LBPRGKRZSA-N 0 0 273.323 2.821 20 10 CFCDRN COCC(C)(C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703617929 781040004 /nfs/dbraw/zinc/04/00/04/781040004.db2.gz OKROPVLAGQATJT-UHFFFAOYSA-N 0 0 259.296 2.527 20 10 CFCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258493 781005182 /nfs/dbraw/zinc/00/51/82/781005182.db2.gz GPHOQWCJIVQJCO-XVKPBYJWSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(C[NH2+]CCOCc2ccccc2)ccc(F)c1F ZINC000703326160 781005364 /nfs/dbraw/zinc/00/53/64/781005364.db2.gz BSABNKAVYZTTDA-UHFFFAOYSA-N 0 0 293.313 2.977 20 10 CFCDRN C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703326167 781005949 /nfs/dbraw/zinc/00/59/49/781005949.db2.gz BUFLXTFXFPLMNU-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN Cc1ncsc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703395983 781013701 /nfs/dbraw/zinc/01/37/01/781013701.db2.gz WOPRWYGRFUBCQB-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN COC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703529402 781025889 /nfs/dbraw/zinc/02/58/89/781025889.db2.gz IZEKOPXNMOOKET-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN CSc1ccc(-c2nnc(C)cc2-c2nccn2C)cn1 ZINC001241633046 781033094 /nfs/dbraw/zinc/03/30/94/781033094.db2.gz POMXXPXNURJPEM-UHFFFAOYSA-N 0 0 297.387 2.969 20 10 CFCDRN CCOc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001241707870 781087498 /nfs/dbraw/zinc/08/74/98/781087498.db2.gz VHUXKAAZILTASH-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN COc1cc(C)c(-c2cnc3ccn(C)c3c2)cn1 ZINC001241769750 781120490 /nfs/dbraw/zinc/12/04/90/781120490.db2.gz ZYHSXGYGQCUHNO-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN C[C@H](CC(=O)NCc1ccccc1O)C(F)(F)F ZINC000705559255 781142414 /nfs/dbraw/zinc/14/24/14/781142414.db2.gz OOVMAKJNPPNMEI-MRVPVSSYSA-N 0 0 261.243 2.597 20 10 CFCDRN COc1ncc(-c2cccc3c2ccn3C)c(C)n1 ZINC001241823204 781144656 /nfs/dbraw/zinc/14/46/56/781144656.db2.gz XVVAXTISZWNFOL-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN CCCCSCC(=O)NCc1ccccc1O ZINC000706234353 781167418 /nfs/dbraw/zinc/16/74/18/781167418.db2.gz WFQJZBSAZRDDKA-UHFFFAOYSA-N 0 0 253.367 2.542 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000706234503 781167621 /nfs/dbraw/zinc/16/76/21/781167621.db2.gz LVQBYTVIRQNLGI-ZDUSSCGKSA-N 0 0 258.365 2.508 20 10 CFCDRN Nc1ccc(CNC(F)(F)c2cnc(Cl)cc2N)cc1 ZINC001162786515 781190824 /nfs/dbraw/zinc/19/08/24/781190824.db2.gz ZOQKWDPMTJAQOD-UHFFFAOYSA-N 0 0 298.724 2.739 20 10 CFCDRN COc1ccncc1-c1cc(=O)n(C)c2ccccc12 ZINC001242060529 781254166 /nfs/dbraw/zinc/25/41/66/781254166.db2.gz YJOVQOCRWAWJCS-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN O=c1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)c[nH]1 ZINC001242065374 781258027 /nfs/dbraw/zinc/25/80/27/781258027.db2.gz MCSAKOUPDCIPJG-UHFFFAOYSA-N 0 0 278.311 2.664 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393832 781271435 /nfs/dbraw/zinc/27/14/35/781271435.db2.gz JTNBCGLYBKKRSX-NMSKTSORSA-N 0 0 271.307 2.572 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000708389528 781272192 /nfs/dbraw/zinc/27/21/92/781272192.db2.gz LCAPMOJCZZACJV-QMMMGPOBSA-N 0 0 263.234 2.805 20 10 CFCDRN COC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708414790 781273039 /nfs/dbraw/zinc/27/30/39/781273039.db2.gz SPCYTRKUJWBVTI-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000708434046 781274584 /nfs/dbraw/zinc/27/45/84/781274584.db2.gz NPSDOXWVGOKWKC-ZJUUUORDSA-N 0 0 271.307 2.670 20 10 CFCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000708440605 781275090 /nfs/dbraw/zinc/27/50/90/781275090.db2.gz CXFYEWGLLGAMRS-OLZOCXBDSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])[C@H](C)O1 ZINC000708440567 781275219 /nfs/dbraw/zinc/27/52/19/781275219.db2.gz CPIIHSSUKPCUKJ-KXUCPTDWSA-N 0 0 271.307 2.574 20 10 CFCDRN Cc1csc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000708467092 781276322 /nfs/dbraw/zinc/27/63/22/781276322.db2.gz LYLFKGHMAUUUJQ-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCSC1 ZINC000708494796 781290853 /nfs/dbraw/zinc/29/08/53/781290853.db2.gz PMDUONRPEHZFLS-MRVPVSSYSA-N 0 0 259.321 2.513 20 10 CFCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708497373 781290899 /nfs/dbraw/zinc/29/08/99/781290899.db2.gz RSJWOWWQJGLVCJ-LBPRGKRZSA-N 0 0 284.350 2.633 20 10 CFCDRN CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1(C)C ZINC000708515937 781291459 /nfs/dbraw/zinc/29/14/59/781291459.db2.gz ALHPDIYEAQLECZ-NEPJUHHUSA-N 0 0 271.307 2.574 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1(C)C ZINC000708515942 781293163 /nfs/dbraw/zinc/29/31/63/781293163.db2.gz ALHPDIYEAQLECZ-VXGBXAGGSA-N 0 0 271.307 2.574 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000709850951 781320666 /nfs/dbraw/zinc/32/06/66/781320666.db2.gz JAQIGBIRXUCVQW-JTQLQIEISA-N 0 0 277.698 2.559 20 10 CFCDRN CN(C)c1ccccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001242194362 781321604 /nfs/dbraw/zinc/32/16/04/781321604.db2.gz NEFSCFQANIXNEB-UHFFFAOYSA-N 0 0 268.360 2.991 20 10 CFCDRN CCC(C)(C)[C@H](C)NC(=O)c1cccc(O)c1O ZINC000709972558 781324293 /nfs/dbraw/zinc/32/42/93/781324293.db2.gz STOIEMYCVYSDIC-VIFPVBQESA-N 0 0 251.326 2.652 20 10 CFCDRN CC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000711246128 781401434 /nfs/dbraw/zinc/40/14/34/781401434.db2.gz FUVMTZNNBBDMDT-QWRGUYRKSA-N 0 0 255.745 2.703 20 10 CFCDRN CCn1ccc(-c2cccnc2C(F)(F)F)cc1=O ZINC001242377335 781445414 /nfs/dbraw/zinc/44/54/14/781445414.db2.gz VWOQCPGUEJVINI-UHFFFAOYSA-N 0 0 268.238 2.949 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2ccc(OC(F)F)nc2)n1 ZINC001242417669 781483473 /nfs/dbraw/zinc/48/34/73/781483473.db2.gz IFVHQEUTTHSDAG-UHFFFAOYSA-N 0 0 290.273 2.940 20 10 CFCDRN COC(=O)c1cnc(-c2cnn(C(C)C)c2)c2ccn(C)c21 ZINC001242434111 781500079 /nfs/dbraw/zinc/50/00/79/781500079.db2.gz GBWSUJWIDUDHAK-UHFFFAOYSA-N 0 0 298.346 2.804 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cnoc3C)cc2n1C ZINC001242603261 781633159 /nfs/dbraw/zinc/63/31/59/781633159.db2.gz WSKZEQMUXLYFHN-UHFFFAOYSA-N 0 0 270.288 2.928 20 10 CFCDRN COc1ccc(-c2nccc3c2ccn3C)c(C)n1 ZINC001242924401 781845970 /nfs/dbraw/zinc/84/59/70/781845970.db2.gz BFRWPNKYQFVKKR-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN O=S(=O)(CCC1CC1)Nc1ccc(O)c(Cl)c1 ZINC000095990430 185057293 /nfs/dbraw/zinc/05/72/93/185057293.db2.gz QLZZJPWCNANDGE-UHFFFAOYSA-N 0 0 275.757 2.587 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](O)C2)cc1 ZINC000070707193 346911914 /nfs/dbraw/zinc/91/19/14/346911914.db2.gz PFAMNBGHOQILQX-KRWDZBQOSA-N 0 0 298.386 2.691 20 10 CFCDRN CCc1nc(C(=O)NCc2c(C)c3ccccc3n2C)co1 ZINC000348663375 529709725 /nfs/dbraw/zinc/70/97/25/529709725.db2.gz SUQJWTVIASRWQN-UHFFFAOYSA-N 0 0 297.358 2.967 20 10 CFCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc(F)cc1 ZINC000055750960 346596330 /nfs/dbraw/zinc/59/63/30/346596330.db2.gz GXPIYBPZISRWIX-RUDMXATFSA-N 0 0 256.280 2.897 20 10 CFCDRN CN(C)c1ccc(CNc2cncc(Cl)n2)cc1F ZINC000058545505 346646210 /nfs/dbraw/zinc/64/62/10/346646210.db2.gz BFNZFOZZYZWHCD-UHFFFAOYSA-N 0 0 280.734 2.947 20 10 CFCDRN CN1CCCc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc21 ZINC000058555521 346646315 /nfs/dbraw/zinc/64/63/15/346646315.db2.gz KZSBRLWYXRPHKT-UHFFFAOYSA-N 0 0 298.346 2.984 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2)c(OC)c1 ZINC000255863866 348304560 /nfs/dbraw/zinc/30/45/60/348304560.db2.gz CUADFQGJRBYMLW-TWGQIWQCSA-N 0 0 298.342 2.775 20 10 CFCDRN Cc1ccc(F)c2c1N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000491577370 348628811 /nfs/dbraw/zinc/62/88/11/348628811.db2.gz VVNIQNFTPHSKRT-ALCCZGGFSA-N 0 0 297.333 2.917 20 10 CFCDRN C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175638144 539869130 /nfs/dbraw/zinc/86/91/30/539869130.db2.gz JIQMXBBDOQLZPV-CQSZACIVSA-N 0 0 287.407 2.981 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC000181961427 539884752 /nfs/dbraw/zinc/88/47/52/539884752.db2.gz DFKPBWRUHTZTRG-UHFFFAOYSA-N 0 0 296.370 2.922 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000294509181 199066908 /nfs/dbraw/zinc/06/69/08/199066908.db2.gz BYUXGQSCLUZCND-RNCFNFMXSA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000062747568 299272049 /nfs/dbraw/zinc/27/20/49/299272049.db2.gz JXHMKFYTADYVNX-NSHDSACASA-N 0 0 278.371 2.809 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000224543830 540734923 /nfs/dbraw/zinc/73/49/23/540734923.db2.gz NEQKHSACOHCNNL-KGLIPLIRSA-N 0 0 280.799 2.762 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480150 299375451 /nfs/dbraw/zinc/37/54/51/299375451.db2.gz LXCYLJPESGOVOU-WDEREUQCSA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(F)c(F)c1[O-] ZINC000276964059 299381925 /nfs/dbraw/zinc/38/19/25/299381925.db2.gz SIHICZCQAACRRM-OUJBWJOFSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000187702335 296127011 /nfs/dbraw/zinc/12/70/11/296127011.db2.gz AZRFBKPUWGICFY-NXEZZACHSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520494 299392953 /nfs/dbraw/zinc/39/29/53/299392953.db2.gz UCEGPXDHULCEJC-OUAUKWLOSA-N 0 0 280.324 2.519 20 10 CFCDRN CCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000034120745 372504698 /nfs/dbraw/zinc/50/46/98/372504698.db2.gz FHMOUGPYKHQZIE-VQHVLOKHSA-N 0 0 263.337 2.808 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000037738206 372693973 /nfs/dbraw/zinc/69/39/73/372693973.db2.gz JIZXKKXXWGHYEG-MRVPVSSYSA-N 0 0 276.163 2.825 20 10 CFCDRN Cc1cc(C(=O)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000047651964 373112031 /nfs/dbraw/zinc/11/20/31/373112031.db2.gz ODHQTLKXAQYLEM-UHFFFAOYSA-N 0 0 260.312 2.935 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cscn1 ZINC000264082744 383695069 /nfs/dbraw/zinc/69/50/69/383695069.db2.gz ZTSHOWDVKXVNBT-UHFFFAOYSA-N 0 0 276.361 2.901 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)Cc2ccccc2O)on1 ZINC000073107840 374320396 /nfs/dbraw/zinc/32/03/96/374320396.db2.gz SIMXBLMPZDKCHJ-UHFFFAOYSA-N 0 0 274.320 2.776 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C/c1cncs1 ZINC000493518967 246611877 /nfs/dbraw/zinc/61/18/77/246611877.db2.gz HKSWZFJSLOFUTJ-ONEGZZNKSA-N 0 0 259.334 2.523 20 10 CFCDRN CCCOc1ccc(CN(CC(=O)OC)C(C)C)c(O)c1 ZINC000093287287 375203910 /nfs/dbraw/zinc/20/39/10/375203910.db2.gz FDVXWESNZPJWSX-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN CCOc1ccc(O)c(CN(C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000093773300 375310027 /nfs/dbraw/zinc/31/00/27/375310027.db2.gz BLXDQQSWCMLCNJ-LBPRGKRZSA-N 0 0 295.379 2.563 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000124561761 377063235 /nfs/dbraw/zinc/06/32/35/377063235.db2.gz RVBGKHPLQYXVPZ-QWHCGFSZSA-N 0 0 267.756 2.799 20 10 CFCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(O)c1O ZINC000126338092 377221545 /nfs/dbraw/zinc/22/15/45/377221545.db2.gz AONZUTPDYLQYAL-CMPLNLGQSA-N 0 0 263.337 2.749 20 10 CFCDRN CC[C@H](SC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000128350928 377331402 /nfs/dbraw/zinc/33/14/02/377331402.db2.gz BTUREKJVGQIYJI-HNNXBMFYSA-N 0 0 292.448 2.827 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2nccs2)cc1F ZINC000129287447 377408736 /nfs/dbraw/zinc/40/87/36/377408736.db2.gz UFGFCGNXGPIBLU-UHFFFAOYSA-N 0 0 279.384 2.980 20 10 CFCDRN C[C@H](C1CC1)n1nccc1NC(=O)Cc1ccc(N)cc1 ZINC000150718408 378268979 /nfs/dbraw/zinc/26/89/79/378268979.db2.gz VFEBYBQRONZYIS-LLVKDONJSA-N 0 0 284.363 2.618 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCS1 ZINC000153395887 378489362 /nfs/dbraw/zinc/48/93/62/378489362.db2.gz ZPROJXMTPYNAPI-OAHLLOKOSA-N 0 0 294.420 2.819 20 10 CFCDRN Cc1cc(C(=O)N2CCC[C@@H]2CO)c(C)n1-c1ccccc1 ZINC000154020523 378532876 /nfs/dbraw/zinc/53/28/76/378532876.db2.gz OKLXRUAZKVVOEX-MRXNPFEDSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000158423073 378667766 /nfs/dbraw/zinc/66/77/66/378667766.db2.gz LOLMOUNNWWDBFP-VOTSOKGWSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1cc(C(=O)N(C)C(C)C)c(C)n1-c1ccccn1 ZINC000175429764 380063548 /nfs/dbraw/zinc/06/35/48/380063548.db2.gz LUSOFHGOFKIITA-UHFFFAOYSA-N 0 0 271.364 2.970 20 10 CFCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000175538248 380085512 /nfs/dbraw/zinc/08/55/12/380085512.db2.gz QBPMYANZFOBCID-NSHDSACASA-N 0 0 288.391 2.869 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529669714 383745248 /nfs/dbraw/zinc/74/52/48/383745248.db2.gz OELJTQRNQGXBBR-COMAGPEQSA-N 0 0 269.772 2.947 20 10 CFCDRN CC[C@@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000179490938 380548606 /nfs/dbraw/zinc/54/86/06/380548606.db2.gz BWRLMJNFLCKJLG-SECBINFHSA-N 0 0 251.326 2.524 20 10 CFCDRN COc1cc(O)c(CN2CCc3ccccc32)cc1OC ZINC000180033144 380611730 /nfs/dbraw/zinc/61/17/30/380611730.db2.gz VNDPDPMOEVIDHN-UHFFFAOYSA-N 0 0 285.343 2.972 20 10 CFCDRN CCOC[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180622368 380683542 /nfs/dbraw/zinc/68/35/42/380683542.db2.gz YGYUOLDRMQENRZ-NSHDSACASA-N 0 0 269.772 2.904 20 10 CFCDRN Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000180719526 380692904 /nfs/dbraw/zinc/69/29/04/380692904.db2.gz MHBURWIVCZGLOK-CZUORRHYSA-N 0 0 285.391 2.980 20 10 CFCDRN C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180720057 380693457 /nfs/dbraw/zinc/69/34/57/380693457.db2.gz QUCSNWFLVMXUCV-HOSRBBHYSA-N 0 0 275.348 2.760 20 10 CFCDRN COCCC[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181193731 380755978 /nfs/dbraw/zinc/75/59/78/380755978.db2.gz LXGZCJJGFBAOAI-CQSZACIVSA-N 0 0 292.423 2.774 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000181010252 380724732 /nfs/dbraw/zinc/72/47/32/380724732.db2.gz LFWBWVKHUCASME-ZKDWERATSA-N 0 0 287.359 2.663 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccccn1 ZINC000181125591 380743753 /nfs/dbraw/zinc/74/37/53/380743753.db2.gz VWSQBOHTOFLSJF-UHFFFAOYSA-N 0 0 269.348 2.547 20 10 CFCDRN Cc1cc(O)c(CNc2nnc(C3CC3)o2)cc1C ZINC000181517483 380812684 /nfs/dbraw/zinc/81/26/84/380812684.db2.gz YMAFNDNLBXEGEC-UHFFFAOYSA-N 0 0 259.309 2.882 20 10 CFCDRN COC(=O)c1cnc(SCc2ccc(OC)nc2)s1 ZINC000295382888 380820812 /nfs/dbraw/zinc/82/08/12/380820812.db2.gz UGAGIHNNGKXCAJ-UHFFFAOYSA-N 0 0 296.373 2.626 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287562576 380869432 /nfs/dbraw/zinc/86/94/32/380869432.db2.gz QEXUTQZWWFMKNV-SDDRHHMPSA-N 0 0 294.351 2.624 20 10 CFCDRN Cc1nscc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181732764 380880345 /nfs/dbraw/zinc/88/03/45/380880345.db2.gz ARVDNRPNPFLNJT-UHFFFAOYSA-N 0 0 289.404 2.790 20 10 CFCDRN CC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000287522057 380854696 /nfs/dbraw/zinc/85/46/96/380854696.db2.gz ONVPUHWDKGVHEM-ZWNOBZJWSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000287694900 380910415 /nfs/dbraw/zinc/91/04/15/380910415.db2.gz WVGRUCCASQXQOE-SQWLQELKSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295616010 380975386 /nfs/dbraw/zinc/97/53/86/380975386.db2.gz ZHWOPHJTXKYHJY-QWHCGFSZSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000182064686 380980458 /nfs/dbraw/zinc/98/04/58/380980458.db2.gz GSFPBECAMGSXQX-GFCCVEGCSA-N 0 0 272.348 2.989 20 10 CFCDRN Cc1cccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000182090900 380990506 /nfs/dbraw/zinc/99/05/06/380990506.db2.gz RFVXGFVAJBLHLT-OAHLLOKOSA-N 0 0 299.418 2.889 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)C1CCC(F)(F)CC1 ZINC000288085206 381006917 /nfs/dbraw/zinc/00/69/17/381006917.db2.gz FZFXOINCFKGZFV-UHFFFAOYSA-N 0 0 285.290 2.748 20 10 CFCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)C1CCCC1 ZINC000182519189 381103196 /nfs/dbraw/zinc/10/31/96/381103196.db2.gz FETGYVOEFFIQLX-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN Cc1nc(NCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000295792548 381078505 /nfs/dbraw/zinc/07/85/05/381078505.db2.gz BRABEKPTDQJMMS-UHFFFAOYSA-N 0 0 299.300 2.810 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296185292 381290811 /nfs/dbraw/zinc/29/08/11/381290811.db2.gz BFMFMJRTVSMDGC-NEPJUHHUSA-N 0 0 263.337 2.540 20 10 CFCDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000183476931 381275174 /nfs/dbraw/zinc/27/51/74/381275174.db2.gz LRRHYSKWQPBOIA-PFEDMVJOSA-N 0 0 275.348 2.501 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(F)c(F)c1[O-] ZINC000296508303 381426565 /nfs/dbraw/zinc/42/65/65/381426565.db2.gz PJZOQEQSJYBMQB-DTWKUNHWSA-N 0 0 273.323 2.871 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296534004 381437386 /nfs/dbraw/zinc/43/73/86/381437386.db2.gz QPMFXEPRGFVXFE-ZJUUUORDSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)cc1 ZINC000184688808 381461456 /nfs/dbraw/zinc/46/14/56/381461456.db2.gz JQOUBLLENJFOJO-ZDUSSCGKSA-N 0 0 298.377 2.955 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296600766 381466305 /nfs/dbraw/zinc/46/63/05/381466305.db2.gz VOSAROPZKZTAOL-RNCFNFMXSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H](NCC(F)(F)CO)c1cc2c(cc1O)CCCC2 ZINC000184713070 381467451 /nfs/dbraw/zinc/46/74/51/381467451.db2.gz CAPAMXUSGTYIJS-SNVBAGLBSA-N 0 0 285.334 2.549 20 10 CFCDRN CCCCS[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000296839982 381545111 /nfs/dbraw/zinc/54/51/11/381545111.db2.gz BUIZVHBPIICWKK-NSHDSACASA-N 0 0 266.410 2.807 20 10 CFCDRN Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc(N)cc1)CO2 ZINC000297150645 381553192 /nfs/dbraw/zinc/55/31/92/381553192.db2.gz IXCMKJSNXJDJSW-INIZCTEOSA-N 0 0 296.370 2.678 20 10 CFCDRN COCc1cc(CN(C)c2ccc(OC)c(F)c2)no1 ZINC000297322654 381557011 /nfs/dbraw/zinc/55/70/11/381557011.db2.gz CHUOFTXMHFKVGP-UHFFFAOYSA-N 0 0 280.299 2.605 20 10 CFCDRN CC(C)c1occc1C(=O)NCc1ccc(N)cc1 ZINC000297291723 381557063 /nfs/dbraw/zinc/55/70/63/381557063.db2.gz UYQDZEJXSYRYBL-UHFFFAOYSA-N 0 0 258.321 2.915 20 10 CFCDRN C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185199590 381563400 /nfs/dbraw/zinc/56/34/00/381563400.db2.gz WUCQMGUNZDPOLD-QMTHXVAHSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000359704944 381568778 /nfs/dbraw/zinc/56/87/78/381568778.db2.gz DACJKQNSPWWGJS-UHFFFAOYSA-N 0 0 291.358 2.955 20 10 CFCDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185316371 381595162 /nfs/dbraw/zinc/59/51/62/381595162.db2.gz QBZPLEYASMUSCU-NEPJUHHUSA-N 0 0 268.376 2.912 20 10 CFCDRN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185465976 381640673 /nfs/dbraw/zinc/64/06/73/381640673.db2.gz FIPYUZPCDNHHOP-FGDXXIHYSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185474967 381644796 /nfs/dbraw/zinc/64/47/96/381644796.db2.gz ZQNWVMBNPJTFMW-OVWNDWIMSA-N 0 0 287.400 2.729 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000371529683 381651494 /nfs/dbraw/zinc/65/14/94/381651494.db2.gz UHDAXKQEPFDLAM-CQSZACIVSA-N 0 0 289.354 2.783 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000371527849 381651628 /nfs/dbraw/zinc/65/16/28/381651628.db2.gz JEVDKNUJPGYJAE-ZIAGYGMSSA-N 0 0 265.328 2.675 20 10 CFCDRN COCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298600041 381686256 /nfs/dbraw/zinc/68/62/56/381686256.db2.gz FYFKYNGWCKVJTC-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000185782397 381732103 /nfs/dbraw/zinc/73/21/03/381732103.db2.gz ADLMNHINBXWFKC-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1[O-] ZINC000185735989 381720076 /nfs/dbraw/zinc/72/00/76/381720076.db2.gz FFMGQKXZCHJXAY-GMXVVIOVSA-N 0 0 267.344 2.733 20 10 CFCDRN CCOCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298724856 381726771 /nfs/dbraw/zinc/72/67/71/381726771.db2.gz PSZSICIJOMGTJM-UHFFFAOYSA-N 0 0 262.397 2.754 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000186130795 381829936 /nfs/dbraw/zinc/82/99/36/381829936.db2.gz DLFSBCXXOOPGER-MWLCHTKSSA-N 0 0 277.343 2.845 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000186143391 381833872 /nfs/dbraw/zinc/83/38/72/381833872.db2.gz KYAQODHYBINRHW-JQWIXIFHSA-N 0 0 269.360 2.979 20 10 CFCDRN CN1CCc2cc(CNC(=O)CC(C)(C)C)ccc21 ZINC000373485169 382014306 /nfs/dbraw/zinc/01/43/06/382014306.db2.gz PSOXIEQLMWZSSV-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN CCn1ccnc1CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374786664 382055919 /nfs/dbraw/zinc/05/59/19/382055919.db2.gz ZZOACUWLPWXRJY-UHFFFAOYSA-N 0 0 296.418 2.868 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H]3CCCCC[C@H]32)c(O)c1O ZINC000374771685 382056032 /nfs/dbraw/zinc/05/60/32/382056032.db2.gz PBUMPNAVFGDQAJ-DGCLKSJQSA-N 0 0 275.348 2.811 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373490890 382017330 /nfs/dbraw/zinc/01/73/30/382017330.db2.gz RZDOWWABIOMIAG-CHWSQXEVSA-N 0 0 267.756 2.799 20 10 CFCDRN O=C(C[C@@H]1C=CCCC1)NCCc1ccc(O)c(O)c1 ZINC000186824970 382024347 /nfs/dbraw/zinc/02/43/47/382024347.db2.gz VSSSOJBVLJLJRH-GFCCVEGCSA-N 0 0 275.348 2.503 20 10 CFCDRN CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1O ZINC000186852819 382029542 /nfs/dbraw/zinc/02/95/42/382029542.db2.gz MHZJPTHDRYUYQP-AWEZNQCLSA-N 0 0 299.436 2.648 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000299735703 382039862 /nfs/dbraw/zinc/03/98/62/382039862.db2.gz WIJHBGBFLAGYDD-SREVYHEPSA-N 0 0 295.298 2.592 20 10 CFCDRN Cc1nc([C@@H]2CCCCN2Cc2cccc(F)c2O)no1 ZINC000376163993 382123260 /nfs/dbraw/zinc/12/32/60/382123260.db2.gz DOBPQZABUDWLCZ-ZDUSSCGKSA-N 0 0 291.326 2.950 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc2c(c1)CCN2C ZINC000375198390 382070984 /nfs/dbraw/zinc/07/09/84/382070984.db2.gz AJIOPJZRPOOAPS-CZUORRHYSA-N 0 0 284.403 2.897 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000293570461 382179578 /nfs/dbraw/zinc/17/95/78/382179578.db2.gz IYMQAQNRPGVTDO-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000293567656 382179787 /nfs/dbraw/zinc/17/97/87/382179787.db2.gz DGVFDLTZTGUYDK-LLVKDONJSA-N 0 0 257.761 2.950 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293571943 382181421 /nfs/dbraw/zinc/18/14/21/382181421.db2.gz IZXUCVJSASMZTQ-CQSZACIVSA-N 0 0 299.729 2.775 20 10 CFCDRN Cc1ccnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000301651564 382184044 /nfs/dbraw/zinc/18/40/44/382184044.db2.gz SKJYPGHEBUGMRP-UHFFFAOYSA-N 0 0 297.402 2.863 20 10 CFCDRN CCOc1cncc(NCc2ccc(N(C)C)cc2)n1 ZINC000301702018 382186094 /nfs/dbraw/zinc/18/60/94/382186094.db2.gz QJNVLMPPHKCEMW-UHFFFAOYSA-N 0 0 272.352 2.553 20 10 CFCDRN Cc1c(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000293634621 382204205 /nfs/dbraw/zinc/20/42/05/382204205.db2.gz NJLVTYCWSMUTTP-UHFFFAOYSA-N 0 0 283.734 2.516 20 10 CFCDRN CC[C@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293630738 382205506 /nfs/dbraw/zinc/20/55/06/382205506.db2.gz NEHREWGIFCDJID-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN CCC(CC)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293683550 382231289 /nfs/dbraw/zinc/23/12/89/382231289.db2.gz RPNYHEOUPOMXRB-UHFFFAOYSA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000293814285 382290445 /nfs/dbraw/zinc/29/04/45/382290445.db2.gz FKMPVWABRMSLHP-WPRPVWTQSA-N 0 0 273.735 2.530 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187732450 382259394 /nfs/dbraw/zinc/25/93/94/382259394.db2.gz MDRQGMCQQIKJFR-NRUUGDAUSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187753002 382262646 /nfs/dbraw/zinc/26/26/46/382262646.db2.gz DRIQUCWTNRYQPQ-OUAUKWLOSA-N 0 0 296.361 2.946 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000293757481 382266585 /nfs/dbraw/zinc/26/65/85/382266585.db2.gz YTERBOKMQNUAGO-HOMQSWHASA-N 0 0 287.762 2.825 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000293774111 382273841 /nfs/dbraw/zinc/27/38/41/382273841.db2.gz SLAAPKDJNJMFTK-UFBFGSQYSA-N 0 0 271.307 2.746 20 10 CFCDRN Cc1ccc(O)c(CN[C@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000364322117 382306124 /nfs/dbraw/zinc/30/61/24/382306124.db2.gz DRQWRNAMKPZDJQ-INIZCTEOSA-N 0 0 294.358 2.698 20 10 CFCDRN C/C=C(\CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000188274661 382380829 /nfs/dbraw/zinc/38/08/29/382380829.db2.gz WTWIINLGOQNKPK-LNKIKWGQSA-N 0 0 288.391 2.700 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000378182307 382414307 /nfs/dbraw/zinc/41/43/07/382414307.db2.gz KBEDKMLMGLAHSV-ZDUSSCGKSA-N 0 0 296.374 2.519 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378371892 382449455 /nfs/dbraw/zinc/44/94/55/382449455.db2.gz AIBBFVNHBRACCI-BPLDGKMQSA-N 0 0 261.365 2.638 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000294223450 382467088 /nfs/dbraw/zinc/46/70/88/382467088.db2.gz LZZYSVKYFMOKOC-KGLIPLIRSA-N 0 0 298.789 2.901 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188818599 382484242 /nfs/dbraw/zinc/48/42/42/382484242.db2.gz HYRPBLLYEVYXMC-GZMMTYOYSA-N 0 0 290.190 2.950 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CCOCC1 ZINC000294263873 382485297 /nfs/dbraw/zinc/48/52/97/382485297.db2.gz OBIMXFGSPXEJGM-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1C ZINC000366651566 382539330 /nfs/dbraw/zinc/53/93/30/382539330.db2.gz IIDJAJJMOZHUOT-GJZGRUSLSA-N 0 0 275.392 2.867 20 10 CFCDRN CCC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295141276 382578526 /nfs/dbraw/zinc/57/85/26/382578526.db2.gz OPKWHZMAKTUPMK-JTQLQIEISA-N 0 0 281.327 2.889 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C)O2)c(OC)c1 ZINC000190943009 382685725 /nfs/dbraw/zinc/68/57/25/382685725.db2.gz JVBXIEGUCBNEQW-DGCLKSJQSA-N 0 0 265.353 2.708 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C)ncn1 ZINC000527317545 383469161 /nfs/dbraw/zinc/46/91/61/383469161.db2.gz FAVDTJLGQDTDSO-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccncc1 ZINC000255073626 383474977 /nfs/dbraw/zinc/47/49/77/383474977.db2.gz XRNLXXPRYVTRBL-PLNGDYQASA-N 0 0 273.361 2.913 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528823066 383647669 /nfs/dbraw/zinc/64/76/69/383647669.db2.gz FWYYTZLFKZCXAK-GXFFZTMASA-N 0 0 298.180 2.524 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2O)[C@H]1C1CC1 ZINC000528823050 383647705 /nfs/dbraw/zinc/64/77/05/383647705.db2.gz FNZJVDVIAJHVAL-COLVAYQJSA-N 0 0 259.349 2.643 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cncs1 ZINC000129952277 296354660 /nfs/dbraw/zinc/35/46/60/296354660.db2.gz SEBNKFTVPWURSE-UXBLZVDNSA-N 0 0 279.390 2.599 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCS1 ZINC000266562632 384198950 /nfs/dbraw/zinc/19/89/50/384198950.db2.gz NRXXBOMFGRSVRP-HNNXBMFYSA-N 0 0 290.432 2.799 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCS1 ZINC000266634523 384212126 /nfs/dbraw/zinc/21/21/26/384212126.db2.gz VVLFOEGYCITIQI-HNNXBMFYSA-N 0 0 292.448 2.997 20 10 CFCDRN CCOc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000268813754 384665652 /nfs/dbraw/zinc/66/56/52/384665652.db2.gz FMLUCXKWYHIGKF-ZDUSSCGKSA-N 0 0 287.363 2.681 20 10 CFCDRN CCn1nc(C)c(C(=O)NCc2ccccc2O)c1Cl ZINC000269129922 384727090 /nfs/dbraw/zinc/72/70/90/384727090.db2.gz ICDGBHKIGAOUCA-UHFFFAOYSA-N 0 0 293.754 2.500 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000269238480 384739195 /nfs/dbraw/zinc/73/91/95/384739195.db2.gz YACPEDKRQRZKCL-RDJZCZTQSA-N 0 0 280.371 2.559 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000269238478 384739421 /nfs/dbraw/zinc/73/94/21/384739421.db2.gz YACPEDKRQRZKCL-NVXWUHKLSA-N 0 0 280.371 2.559 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1F ZINC000269347036 384750155 /nfs/dbraw/zinc/75/01/55/384750155.db2.gz INSJIHRUWJFWCQ-OAHLLOKOSA-N 0 0 294.414 2.876 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000281197528 385187370 /nfs/dbraw/zinc/18/73/70/385187370.db2.gz RSUWFEDPVFZTNF-ONGXEEELSA-N 0 0 285.334 2.872 20 10 CFCDRN COc1ccc(N(C)CCn2ccnc2C)cc1Cl ZINC000270862738 385250906 /nfs/dbraw/zinc/25/09/06/385250906.db2.gz KDYFYVZZCGJOGX-UHFFFAOYSA-N 0 0 279.771 2.990 20 10 CFCDRN CCc1nnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271479877 385383967 /nfs/dbraw/zinc/38/39/67/385383967.db2.gz JMDSUHOELUQUET-NEPJUHHUSA-N 0 0 287.411 2.845 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283428938 385465441 /nfs/dbraw/zinc/46/54/41/385465441.db2.gz SDXCQDQFSUQUGM-PRHODGIISA-N 0 0 282.365 2.845 20 10 CFCDRN COC1CCC([N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000272323294 385509756 /nfs/dbraw/zinc/50/97/56/385509756.db2.gz UWYMFQWGPUJKGS-UHFFFAOYSA-N 0 0 267.344 2.921 20 10 CFCDRN CCN(CCc1ccnn1C)c1ccc(OC)c(OC)c1 ZINC000284496772 385548349 /nfs/dbraw/zinc/54/83/49/385548349.db2.gz URSXIYKCURSXCO-UHFFFAOYSA-N 0 0 289.379 2.506 20 10 CFCDRN COc1c(O)cccc1CN(C)c1ccc2c(c1)OCO2 ZINC000272484956 385550515 /nfs/dbraw/zinc/55/05/15/385550515.db2.gz CTGAKCVWIKCWOI-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN Cc1ncccc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285161367 385552998 /nfs/dbraw/zinc/55/29/98/385552998.db2.gz YJVGAJKKUFTFMO-UHFFFAOYSA-N 0 0 297.402 2.657 20 10 CFCDRN Cc1coc(C)c1C(=O)N(C)Cc1ccccc1O ZINC000285429482 385555245 /nfs/dbraw/zinc/55/52/45/385555245.db2.gz XRAPXVSFYBSNMV-UHFFFAOYSA-N 0 0 259.305 2.874 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1ccc(F)cc1[O-] ZINC000285541637 385556121 /nfs/dbraw/zinc/55/61/21/385556121.db2.gz CDPHVHVLLBRQBY-LQJRIPTKSA-N 0 0 287.400 2.684 20 10 CFCDRN CC[C@H](C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000285721123 385556881 /nfs/dbraw/zinc/55/68/81/385556881.db2.gz FPSWVPMYASGRIK-RYUDHWBXSA-N 0 0 279.380 2.971 20 10 CFCDRN CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1[O-] ZINC000285728607 385557079 /nfs/dbraw/zinc/55/70/79/385557079.db2.gz QNIXGPMNUHHKLU-AWEZNQCLSA-N 0 0 294.370 2.585 20 10 CFCDRN Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000285846455 385558087 /nfs/dbraw/zinc/55/80/87/385558087.db2.gz XQVLETQZVJSLJY-HNNXBMFYSA-N 0 0 286.379 2.781 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272592267 385570786 /nfs/dbraw/zinc/57/07/86/385570786.db2.gz GBQPJYVWFWWOSJ-VOWYIILJSA-N 0 0 275.348 2.806 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)C(C)C)c(O)c1O ZINC000272652352 385582593 /nfs/dbraw/zinc/58/25/93/385582593.db2.gz KQIOUIFHVIHTRW-JTQLQIEISA-N 0 0 251.326 2.523 20 10 CFCDRN CC(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378174 385678331 /nfs/dbraw/zinc/67/83/31/385678331.db2.gz HONYJCCGMXWVTO-JTQLQIEISA-N 0 0 252.314 2.997 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362421 385679310 /nfs/dbraw/zinc/67/93/10/385679310.db2.gz DDZKCNFXJHNLGG-GUBZILKMSA-N 0 0 250.298 2.607 20 10 CFCDRN CC(C)OCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407608 385680767 /nfs/dbraw/zinc/68/07/67/385680767.db2.gz OUWZGRWCTRHQOD-NSHDSACASA-N 0 0 282.340 2.766 20 10 CFCDRN CC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273441235 385682438 /nfs/dbraw/zinc/68/24/38/385682438.db2.gz YKBBDUIERYZOGU-ZJUUUORDSA-N 0 0 251.326 2.628 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469198 385684306 /nfs/dbraw/zinc/68/43/06/385684306.db2.gz FISGPKUAOVDGHM-QWRGUYRKSA-N 0 0 294.351 2.766 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000273491855 385684318 /nfs/dbraw/zinc/68/43/18/385684318.db2.gz OLCMRSCUJCEKKS-WCQYABFASA-N 0 0 275.348 2.938 20 10 CFCDRN CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc(Cl)c1[O-] ZINC000286821932 385717430 /nfs/dbraw/zinc/71/74/30/385717430.db2.gz CGTYKWCOLSAOPT-ZDUSSCGKSA-N 0 0 296.798 2.613 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477855 385685286 /nfs/dbraw/zinc/68/52/86/385685286.db2.gz LHGUQSCQXYUVPS-WOPDTQHZSA-N 0 0 294.351 2.766 20 10 CFCDRN CON(CC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286688876 385686099 /nfs/dbraw/zinc/68/60/99/385686099.db2.gz ZYUOGWHPDVYIFV-SOFGYWHQSA-N 0 0 279.336 2.547 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000273602550 385691644 /nfs/dbraw/zinc/69/16/44/385691644.db2.gz SEHTVBICWUPZQB-YGRLFVJLSA-N 0 0 279.311 2.817 20 10 CFCDRN O=C(NCCC[C@H]1CCCCO1)NCc1ccccc1O ZINC000273726359 385694629 /nfs/dbraw/zinc/69/46/29/385694629.db2.gz NHOWXLYIALONNW-CQSZACIVSA-N 0 0 292.379 2.541 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)C[C@H]2CCCOC2)cc1C ZINC000107671916 393871004 /nfs/dbraw/zinc/87/10/04/393871004.db2.gz VBLRTJLHOXQMMI-CQSZACIVSA-N 0 0 263.381 2.867 20 10 CFCDRN CN(C[C@H](O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000121302194 393953468 /nfs/dbraw/zinc/95/34/68/393953468.db2.gz STFHUTQBKQUGDN-AWEZNQCLSA-N 0 0 289.306 2.724 20 10 CFCDRN CN(Cc1nccn1C(F)F)c1ccc2c(c1)OCO2 ZINC000121302002 393953658 /nfs/dbraw/zinc/95/36/58/393953658.db2.gz WFDFJQVEKKZDLV-UHFFFAOYSA-N 0 0 281.262 2.643 20 10 CFCDRN CCc1noc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000121348854 393954883 /nfs/dbraw/zinc/95/48/83/393954883.db2.gz ADIRVKMOHJWXTE-UHFFFAOYSA-N 0 0 274.320 2.911 20 10 CFCDRN CCCCCOCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000121746013 393959461 /nfs/dbraw/zinc/95/94/61/393959461.db2.gz QHCJKMNWZOSFCC-UHFFFAOYSA-N 0 0 296.386 2.715 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCSc3ccncc32)cn1 ZINC000492550974 394071574 /nfs/dbraw/zinc/07/15/74/394071574.db2.gz SRLZZXQENDNCLK-SNAWJCMRSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cnccc1C ZINC000492594250 394072175 /nfs/dbraw/zinc/07/21/75/394072175.db2.gz RWISKQFLUXFSTC-PLNGDYQASA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccnc(C)c2)s1 ZINC000492641931 394073633 /nfs/dbraw/zinc/07/36/33/394073633.db2.gz PHWKNROUQPPSDF-PLNGDYQASA-N 0 0 273.361 2.831 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1 ZINC000492676256 394074380 /nfs/dbraw/zinc/07/43/80/394074380.db2.gz IEFIQBJQAVXLAH-MDZDMXLPSA-N 0 0 283.331 2.552 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](CO)c3ccccc32)c1 ZINC000492802795 394076753 /nfs/dbraw/zinc/07/67/53/394076753.db2.gz FEPBVIBWCKAQJN-LQYUOIDQSA-N 0 0 294.354 2.526 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273489180 394034657 /nfs/dbraw/zinc/03/46/57/394034657.db2.gz NTVYNNIXHUUBSB-ZIBATOQPSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]1CCCN(c2ccc(CNC(N)=O)cc2Cl)C1 ZINC000283739404 394132993 /nfs/dbraw/zinc/13/29/93/394132993.db2.gz DGZRTEAAMJTXJS-SNVBAGLBSA-N 0 0 281.787 2.745 20 10 CFCDRN CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285698780 394145911 /nfs/dbraw/zinc/14/59/11/394145911.db2.gz OWOQZHYULUDWKC-CQSZACIVSA-N 0 0 266.360 2.666 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC2(CCO2)CC1 ZINC000367070102 394251412 /nfs/dbraw/zinc/25/14/12/394251412.db2.gz ADERKTIZHSMDBV-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN CCCCCOCC(=O)NCc1ccc2c(c1)CCN2C ZINC000372295130 394309077 /nfs/dbraw/zinc/30/90/77/394309077.db2.gz MVUZRNVBFRUVNX-UHFFFAOYSA-N 0 0 290.407 2.502 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c(O)c1O ZINC000179519959 292054512 /nfs/dbraw/zinc/05/45/12/292054512.db2.gz KEQPEFZCJFPVFD-YPMHNXCESA-N 0 0 275.348 2.811 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275685261 285983516 /nfs/dbraw/zinc/98/35/16/285983516.db2.gz IRFOLSZWSNTPEV-JTQLQIEISA-N 0 0 282.340 2.766 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC(C)CC2)cc1OC ZINC000271045117 286248434 /nfs/dbraw/zinc/24/84/34/286248434.db2.gz ODEJHZOLFVUMML-UHFFFAOYSA-N 0 0 280.324 2.848 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1ccn(C)n1 ZINC000272026955 286389068 /nfs/dbraw/zinc/38/90/68/286389068.db2.gz MJSYZTLCLCKZSP-UHFFFAOYSA-N 0 0 271.364 2.772 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000287882946 286911615 /nfs/dbraw/zinc/91/16/15/286911615.db2.gz YOWNZVFLBVJUGJ-ZWNOBZJWSA-N 0 0 287.787 2.748 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cccc(Cl)c1[O-] ZINC000287789034 286922568 /nfs/dbraw/zinc/92/25/68/286922568.db2.gz SRHFQZKOFHDSEQ-JOYOIKCWSA-N 0 0 294.786 2.976 20 10 CFCDRN CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020195461 171060564 /nfs/dbraw/zinc/06/05/64/171060564.db2.gz NNWCYRGULSEIEY-VIFPVBQESA-N 0 0 264.152 2.560 20 10 CFCDRN O=C(NCCc1c[nH]c2ccccc12)c1cccc(O)c1O ZINC000072106670 176316571 /nfs/dbraw/zinc/31/65/71/176316571.db2.gz LVETVUNDZCUBFV-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN Cc1cnc(F)c(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001243166164 782027299 /nfs/dbraw/zinc/02/72/99/782027299.db2.gz GOMBTBSWKUWIOQ-UHFFFAOYSA-N 0 0 258.296 2.768 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH+]2CCCC2)c1O ZINC000037322540 260159605 /nfs/dbraw/zinc/15/96/05/260159605.db2.gz JBVNFWLFWGRCID-UHFFFAOYSA-N 0 0 253.729 2.844 20 10 CFCDRN C[C@@H](NCc1nnc(C2CC2)[nH]1)c1cc(Cl)ccc1O ZINC000296228214 263187673 /nfs/dbraw/zinc/18/76/73/263187673.db2.gz BXOWRZSASRXFBH-MRVPVSSYSA-N 0 0 292.770 2.892 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C=CCC2)c1 ZINC000934940086 649859318 /nfs/dbraw/zinc/85/93/18/649859318.db2.gz HQQLHKYLZWLEAQ-ZBEGNZNMSA-N 0 0 275.348 2.934 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)C=CCC2)c1 ZINC000934940084 649859351 /nfs/dbraw/zinc/85/93/51/649859351.db2.gz HQQLHKYLZWLEAQ-BZNIZROVSA-N 0 0 275.348 2.934 20 10 CFCDRN C[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC000368034849 267139101 /nfs/dbraw/zinc/13/91/01/267139101.db2.gz GCDHPEZBZVHACP-MWLCHTKSSA-N 0 0 287.315 2.744 20 10 CFCDRN C[C@H]1CC2(CCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000372891253 267613027 /nfs/dbraw/zinc/61/30/27/267613027.db2.gz MGABTASPRZBWTL-FUEXJSSKSA-N 0 0 287.359 2.902 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187488653 277824314 /nfs/dbraw/zinc/82/43/14/277824314.db2.gz ZQJNEMBFSDRGAM-UONOGXRCSA-N 0 0 288.391 2.770 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000282299407 278384266 /nfs/dbraw/zinc/38/42/66/278384266.db2.gz COXHYKTWWHHCQC-YGRLFVJLSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000287726557 288078146 /nfs/dbraw/zinc/07/81/46/288078146.db2.gz OXMYPSIJDPEOOW-RJVCPDIVSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293680012 288123808 /nfs/dbraw/zinc/12/38/08/288123808.db2.gz RIBNDTANSFXWOG-OTYXRUKQSA-N 0 0 298.789 2.757 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000062747408 290013350 /nfs/dbraw/zinc/01/33/50/290013350.db2.gz LJUUPMKTDVXCRG-IINYFYTJSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480147 290046847 /nfs/dbraw/zinc/04/68/47/290046847.db2.gz LXCYLJPESGOVOU-QWRGUYRKSA-N 0 0 280.324 2.520 20 10 CFCDRN CSCCCCC(=O)NCc1ccccc1O ZINC000265897767 328167174 /nfs/dbraw/zinc/16/71/74/328167174.db2.gz SYHJUFDAFQWQET-UHFFFAOYSA-N 0 0 253.367 2.542 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2cccc(C)c2)cnn1C ZINC000255355538 326966082 /nfs/dbraw/zinc/96/60/82/326966082.db2.gz XENZNESQABRRAH-HJWRWDBZSA-N 0 0 269.348 2.713 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)Oc3ncccc32)c1 ZINC000255739647 327012270 /nfs/dbraw/zinc/01/22/70/327012270.db2.gz CECYDNYBYRIQEJ-SZZPACECSA-N 0 0 295.342 2.612 20 10 CFCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC000104196906 328776888 /nfs/dbraw/zinc/77/68/88/328776888.db2.gz MKSBEOVVNSRZSD-BQYQJAHWSA-N 0 0 256.280 2.897 20 10 CFCDRN CC(C)=C(F)C(=O)NCc1ccc2c(c1)CCN2C ZINC000368421830 328938327 /nfs/dbraw/zinc/93/83/27/328938327.db2.gz HVMAXLVZKSRSBX-UHFFFAOYSA-N 0 0 262.328 2.559 20 10 CFCDRN C[C@H]([NH2+]CC1COC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000528031801 330305344 /nfs/dbraw/zinc/30/53/44/330305344.db2.gz WEZZIONDTYIOOG-ZETCQYMHSA-N 0 0 276.163 2.996 20 10 CFCDRN CCC[C@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000451313002 331024050 /nfs/dbraw/zinc/02/40/50/331024050.db2.gz LIZWKLAXZMHEAK-INIZCTEOSA-N 0 0 288.391 2.918 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(F)c(F)c1 ZINC000491186739 332162236 /nfs/dbraw/zinc/16/22/36/332162236.db2.gz QAVFLNGTZGAFFP-ZZXKWVIFSA-N 0 0 289.285 2.821 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCCc3c(F)cccc32)cnn1C ZINC000492283612 332390799 /nfs/dbraw/zinc/39/07/99/332390799.db2.gz PMMOIEORGBPJTG-HJWRWDBZSA-N 0 0 299.349 2.860 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCOc3cccc(F)c32)cn1 ZINC000492400600 332395593 /nfs/dbraw/zinc/39/55/93/332395593.db2.gz SCSPUBUNDYSHMF-FPLPWBNLSA-N 0 0 298.317 2.968 20 10 CFCDRN COc1cncc(/C=C\C(=O)N2CCc3ccccc32)c1 ZINC000492401206 332395917 /nfs/dbraw/zinc/39/59/17/332395917.db2.gz UBUAOQCMWGANNZ-SREVYHEPSA-N 0 0 280.327 2.693 20 10 CFCDRN CN(C(=O)/C=C\c1cncc(O)c1)c1ccc(F)cc1 ZINC000492432973 332397235 /nfs/dbraw/zinc/39/72/35/332397235.db2.gz BTODOGSZBSFXQA-UQCOIBPSSA-N 0 0 272.279 2.603 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(Cl)nn1 ZINC000492674297 332409087 /nfs/dbraw/zinc/40/90/87/332409087.db2.gz GPMFFBUCJYUGMR-UTCJRWHESA-N 0 0 294.767 2.571 20 10 CFCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000492766047 332412567 /nfs/dbraw/zinc/41/25/67/332412567.db2.gz LXZQLOULCMIVNP-QWGSZXSUSA-N 0 0 294.354 2.699 20 10 CFCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccccc1C ZINC000492768232 332412760 /nfs/dbraw/zinc/41/27/60/332412760.db2.gz OSQQRCBBGGIEEH-HJWRWDBZSA-N 0 0 255.321 2.784 20 10 CFCDRN CCc1cccc2c1N(C(=O)C=Cc1c[nH]cn1)CC2 ZINC000492900597 332417925 /nfs/dbraw/zinc/41/79/25/332417925.db2.gz NYSDJQOXQZWZNF-SREVYHEPSA-N 0 0 267.332 2.575 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)nc1 ZINC000492972428 332420696 /nfs/dbraw/zinc/42/06/96/332420696.db2.gz JUYFOMJVDGGFKD-GQCTYLIASA-N 0 0 271.295 2.600 20 10 CFCDRN 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CFCDRN CC[C@@H]1[C@H](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000187443345 523615976 /nfs/dbraw/zinc/61/59/76/523615976.db2.gz DOILBBLGVZEAFP-BVKQBWKVSA-N 0 0 275.348 2.758 20 10 CFCDRN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000291350257 523799482 /nfs/dbraw/zinc/79/94/82/523799482.db2.gz XIFZBUQDFGILMF-BMIGLBTASA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264646849 523823272 /nfs/dbraw/zinc/82/32/72/523823272.db2.gz GAEOBMPCRLVLOY-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN CC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264646858 523823383 /nfs/dbraw/zinc/82/33/83/523823383.db2.gz GAEOBMPCRLVLOY-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227440253 523827629 /nfs/dbraw/zinc/82/76/29/523827629.db2.gz WRWJVGNBDIWHNT-LLVKDONJSA-N 0 0 289.206 2.883 20 10 CFCDRN CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278291839 523869724 /nfs/dbraw/zinc/86/97/24/523869724.db2.gz 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UEXRYWRHQGWXED-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN COc1ccc(N(Cc2cncn2C)C(C)C)cc1F ZINC000267562751 524368213 /nfs/dbraw/zinc/36/82/13/524368213.db2.gz BHDFYDATRCJYMP-UHFFFAOYSA-N 0 0 277.343 2.983 20 10 CFCDRN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654649 524559728 /nfs/dbraw/zinc/55/97/28/524559728.db2.gz ZHSKWHIMPWQKRS-FZMZJTMJSA-N 0 0 282.815 2.818 20 10 CFCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)Cc1cccs1 ZINC000193093741 524722845 /nfs/dbraw/zinc/72/28/45/524722845.db2.gz ISTQIANTXUYNBU-SNVBAGLBSA-N 0 0 291.372 2.768 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2cc(Cl)nc(N)n2)c1 ZINC000301192363 524774389 /nfs/dbraw/zinc/77/43/89/524774389.db2.gz MFLAQOIHLBLTNQ-ZETCQYMHSA-N 0 0 294.742 2.600 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(C)C ZINC000274962805 524892212 /nfs/dbraw/zinc/89/22/12/524892212.db2.gz UIMPHWVYDLYWTP-NSHDSACASA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCCC1 ZINC000274935450 524893402 /nfs/dbraw/zinc/89/34/02/524893402.db2.gz ONFLXHGKSWSQSO-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@@H](Cc1cccs1)NC(=O)Cc1ccc(N)cc1 ZINC000037020979 524931514 /nfs/dbraw/zinc/93/15/14/524931514.db2.gz PIVMHYXOTKFXPI-NSHDSACASA-N 0 0 274.389 2.620 20 10 CFCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000184295988 525165223 /nfs/dbraw/zinc/16/52/23/525165223.db2.gz UNENECYEYGQTQR-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN Cc1ccc(O)c(CNc2cn(C)nc2C2CC2)c1 ZINC000291309137 525354800 /nfs/dbraw/zinc/35/48/00/525354800.db2.gz RKMNFNPCRLWIRW-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(F)c(F)c1[O-] ZINC000191180634 525446025 /nfs/dbraw/zinc/44/60/25/525446025.db2.gz XDAHKKMXAVRVGY-SNVBAGLBSA-N 0 0 281.306 2.608 20 10 CFCDRN C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000274944911 525485821 /nfs/dbraw/zinc/48/58/21/525485821.db2.gz GAKISHCQCONDTO-NSHDSACASA-N 0 0 285.395 2.599 20 10 CFCDRN Cc1cccnc1CN(C)c1ccc2c(c1)OCO2 ZINC000093210872 525510825 /nfs/dbraw/zinc/51/08/25/525510825.db2.gz ATUDUABUSLGAHD-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCCc3ccccc32)cnn1C ZINC000154861050 525515126 /nfs/dbraw/zinc/51/51/26/525515126.db2.gz PBIOBHNPRZVWFH-MDZDMXLPSA-N 0 0 281.359 2.721 20 10 CFCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275819735 525525850 /nfs/dbraw/zinc/52/58/50/525525850.db2.gz MQTBHVNBUHIVGK-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccccc1O)CO2 ZINC000274702129 525602598 /nfs/dbraw/zinc/60/25/98/525602598.db2.gz YMKXKRDCEQQARL-OAHLLOKOSA-N 0 0 297.354 2.801 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000066768320 525671692 /nfs/dbraw/zinc/67/16/92/525671692.db2.gz PZNFETSAVZKOFO-LBPRGKRZSA-N 0 0 292.448 2.684 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976639 525675210 /nfs/dbraw/zinc/67/52/10/525675210.db2.gz VDSVLNBZPDUDFU-ZHAHWJHGSA-N 0 0 271.307 2.625 20 10 CFCDRN CS[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647273 525909105 /nfs/dbraw/zinc/90/91/05/525909105.db2.gz VZRIMCDWNQDUET-IUCAKERBSA-N 0 0 299.367 2.641 20 10 CFCDRN COc1cccc(CNC(=O)NCCCC(C)C)c1O ZINC000073651642 525984827 /nfs/dbraw/zinc/98/48/27/525984827.db2.gz QAAKKBYOESCXCX-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc3c(c2)CCC3)c1O ZINC000170795770 526006693 /nfs/dbraw/zinc/00/66/93/526006693.db2.gz KLIGDYYOMUHMKS-UHFFFAOYSA-N 0 0 297.354 2.820 20 10 CFCDRN CSc1ccccc1C(=O)N1CCSC[C@H]1C ZINC000172509691 526149785 /nfs/dbraw/zinc/14/97/85/526149785.db2.gz FLEQGHOJFPKSDO-SNVBAGLBSA-N 0 0 267.419 2.986 20 10 CFCDRN O=C(C=C(C1CC1)C1CC1)NCCc1ccc(O)c(O)c1 ZINC000270547747 526314356 /nfs/dbraw/zinc/31/43/56/526314356.db2.gz NJUXDOKNDKAMPE-UHFFFAOYSA-N 0 0 287.359 2.503 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228174805 526327543 /nfs/dbraw/zinc/32/75/43/526327543.db2.gz RVBGKHPLQYXVPZ-OLZOCXBDSA-N 0 0 267.756 2.799 20 10 CFCDRN Cc1nnc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000191583503 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/nfs/dbraw/zinc/86/10/61/526861061.db2.gz MTYACWFSPHOASM-UHFFFAOYSA-N 0 0 295.289 2.932 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCC1OCCO1 ZINC000133372941 527017449 /nfs/dbraw/zinc/01/74/49/527017449.db2.gz POSKWWFAGMUINP-UHFFFAOYSA-N 0 0 276.361 2.552 20 10 CFCDRN O=[N+]([O-])c1c(Sc2nccs2)nc2sccn21 ZINC000048894086 527323013 /nfs/dbraw/zinc/32/30/13/527323013.db2.gz JZKKMNOHXXNAJS-UHFFFAOYSA-N 0 0 284.347 2.912 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000045063870 527475932 /nfs/dbraw/zinc/47/59/32/527475932.db2.gz INCWZODWADHRCW-MRXNPFEDSA-N 0 0 272.392 2.993 20 10 CFCDRN Nc1ccc(CC(=O)N2C[C@H]3CCCCC[C@@H]32)cc1 ZINC000366343705 527476431 /nfs/dbraw/zinc/47/64/31/527476431.db2.gz CHHWTPDBRVYLNZ-HIFRSBDPSA-N 0 0 258.365 2.602 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000237981169 527492673 /nfs/dbraw/zinc/49/26/73/527492673.db2.gz CVISXWPRRQXDRX-INIZCTEOSA-N 0 0 282.343 2.911 20 10 CFCDRN OCCCOc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000289752935 527542305 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/nfs/dbraw/zinc/13/88/97/574138897.db2.gz VHKXOBQEHDYXNH-UHFFFAOYSA-N 0 0 278.396 2.684 20 10 CFCDRN CCC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728942485 574140720 /nfs/dbraw/zinc/14/07/20/574140720.db2.gz VRVGXZPQJRTFKC-QWRGUYRKSA-N 0 0 280.368 2.950 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OCC(C)C)c1 ZINC000728982365 574143457 /nfs/dbraw/zinc/14/34/57/574143457.db2.gz LTDILXJYTGECIJ-NEPJUHHUSA-N 0 0 295.379 2.639 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)COC)cc1 ZINC000755192660 574145410 /nfs/dbraw/zinc/14/54/10/574145410.db2.gz HWEWHBCCULYGIU-AWEZNQCLSA-N 0 0 292.423 2.822 20 10 CFCDRN C[C@@H](Cc1cccs1)NC(=O)C1=CC(=O)CS1 ZINC000732268417 574147948 /nfs/dbraw/zinc/14/79/48/574147948.db2.gz GJYWKTCVXPGZCU-QMMMGPOBSA-N 0 0 267.375 2.876 20 10 CFCDRN C[C@@H](c1ccco1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268386 574148120 /nfs/dbraw/zinc/14/81/20/574148120.db2.gz DOOKWOBGHMQFAT-QMMMGPOBSA-N 0 0 251.307 2.880 20 10 CFCDRN O=C(Nc1nnc(-c2ccco2)s1)C1=CC(=O)CS1 ZINC000732267337 574148149 /nfs/dbraw/zinc/14/81/49/574148149.db2.gz YBJKHOLYIQXGHY-UHFFFAOYSA-N 0 0 293.329 2.818 20 10 CFCDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1=CC(=O)CS1 ZINC000732269062 574148468 /nfs/dbraw/zinc/14/84/68/574148468.db2.gz POBYGEUHPTULLR-UHFFFAOYSA-N 0 0 292.316 2.634 20 10 CFCDRN O=C(N[C@H]1CCOc2c(F)cccc21)C1=CC(=O)CS1 ZINC000732275644 574149286 /nfs/dbraw/zinc/14/92/86/574149286.db2.gz FWGDSWNMLCBBSL-NSHDSACASA-N 0 0 293.319 2.846 20 10 CFCDRN CCOc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732276824 574149392 /nfs/dbraw/zinc/14/93/92/574149392.db2.gz SIYOVJIEWXJQOA-UHFFFAOYSA-N 0 0 277.345 2.782 20 10 CFCDRN COc1cccc(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000732258199 574149417 /nfs/dbraw/zinc/14/94/17/574149417.db2.gz IPVGSHXYYXPCFV-UHFFFAOYSA-N 0 0 277.345 2.735 20 10 CFCDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000732286388 574150031 /nfs/dbraw/zinc/15/00/31/574150031.db2.gz SKFBUQVCMFKLMI-LBPRGKRZSA-N 0 0 289.356 2.934 20 10 CFCDRN CC(C)Cc1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732285425 574150180 /nfs/dbraw/zinc/15/01/80/574150180.db2.gz FQDFIOHMFFCTFY-UHFFFAOYSA-N 0 0 265.338 2.628 20 10 CFCDRN Nc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1 ZINC000746480272 574150905 /nfs/dbraw/zinc/15/09/05/574150905.db2.gz SUOCPEIMLDLZML-UHFFFAOYSA-N 0 0 262.259 2.999 20 10 CFCDRN CC(C)C[C@@H](C)N(C)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353167 574152563 /nfs/dbraw/zinc/15/25/63/574152563.db2.gz MZSAOMRUKJSJCV-SNVBAGLBSA-N 0 0 299.392 2.504 20 10 CFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1nc(C2CC2)no1 ZINC000732353882 574153038 /nfs/dbraw/zinc/15/30/38/574153038.db2.gz CFZXNRKWPSDOEA-ZCFIWIBFSA-N 0 0 280.305 2.632 20 10 CFCDRN O=C(OCc1c(F)cccc1[N+](=O)[O-])C1=CC(=O)CS1 ZINC000732353960 574153411 /nfs/dbraw/zinc/15/34/11/574153411.db2.gz MGPAKTXMDVXCSZ-UHFFFAOYSA-N 0 0 297.263 2.858 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCc2ccccc21 ZINC000732458748 574157912 /nfs/dbraw/zinc/15/79/12/574157912.db2.gz MASNZBIVNZIDAN-AWEZNQCLSA-N 0 0 296.370 2.921 20 10 CFCDRN CN(C)c1ccc(CNc2cccnc2[N+](=O)[O-])cc1F ZINC000746722052 574164723 /nfs/dbraw/zinc/16/47/23/574164723.db2.gz WXCXFSHEAXIHRZ-UHFFFAOYSA-N 0 0 290.298 2.807 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C2CC2)c1 ZINC000729052259 574166019 /nfs/dbraw/zinc/16/60/19/574166019.db2.gz VYNJOGBPKGRTLN-GHMZBOCLSA-N 0 0 292.379 2.807 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C2CC2)c1 ZINC000729052264 574166101 /nfs/dbraw/zinc/16/61/01/574166101.db2.gz VYNJOGBPKGRTLN-QWRGUYRKSA-N 0 0 292.379 2.807 20 10 CFCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000738440031 574169064 /nfs/dbraw/zinc/16/90/64/574169064.db2.gz KUHSEQYJXFZUGP-UHFFFAOYSA-N 0 0 275.396 2.837 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)c1cccs1 ZINC000738514526 574171985 /nfs/dbraw/zinc/17/19/85/574171985.db2.gz XKGDICNWNOXSSP-SNVBAGLBSA-N 0 0 261.346 2.874 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1nccs1 ZINC000738992214 574192627 /nfs/dbraw/zinc/19/26/27/574192627.db2.gz IYCKHYMEWOIJEO-NSHDSACASA-N 0 0 291.376 2.799 20 10 CFCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000755867968 574193182 /nfs/dbraw/zinc/19/31/82/574193182.db2.gz LUIKBNUMEWWNBP-HNNXBMFYSA-N 0 0 289.423 2.940 20 10 CFCDRN COc1ccccc1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000729327925 574198696 /nfs/dbraw/zinc/19/86/96/574198696.db2.gz CXTQHCULZNOCML-BQYQJAHWSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000747878217 574216852 /nfs/dbraw/zinc/21/68/52/574216852.db2.gz YDXZCCQGHPMXLV-PLNGDYQASA-N 0 0 275.283 2.502 20 10 CFCDRN CC(C)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000729475881 574218734 /nfs/dbraw/zinc/21/87/34/574218734.db2.gz YVIIJVHBSBYWBM-UHFFFAOYSA-N 0 0 252.314 2.825 20 10 CFCDRN C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756298828 574222541 /nfs/dbraw/zinc/22/25/41/574222541.db2.gz GBFISPKQGLARLH-QWHCGFSZSA-N 0 0 291.391 2.991 20 10 CFCDRN CCc1ocnc1C(=O)NCCCSc1nccs1 ZINC000739732257 574224481 /nfs/dbraw/zinc/22/44/81/574224481.db2.gz WBEHXUTZMSOTIS-UHFFFAOYSA-N 0 0 297.405 2.606 20 10 CFCDRN COc1cccc(CNC(=S)Nc2ccccc2C)n1 ZINC000748045139 574226707 /nfs/dbraw/zinc/22/67/07/574226707.db2.gz YNNBOYCRPKLREI-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756383250 574231914 /nfs/dbraw/zinc/23/19/14/574231914.db2.gz XBVXRAODWZJWSD-QPUJVOFHSA-N 0 0 283.274 2.648 20 10 CFCDRN C[C@H]([NH2+]CCCn1cccn1)c1cc(F)cc(F)c1[O-] ZINC000756397224 574233674 /nfs/dbraw/zinc/23/36/74/574233674.db2.gz PPYVQIFRTPNLLH-JTQLQIEISA-N 0 0 281.306 2.608 20 10 CFCDRN CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756433084 574236557 /nfs/dbraw/zinc/23/65/57/574236557.db2.gz UZYNERARLFOJHS-GHMZBOCLSA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756431811 574236654 /nfs/dbraw/zinc/23/66/54/574236654.db2.gz FXHDXEXDLAROCT-LKFCYVNXSA-N 0 0 284.350 2.661 20 10 CFCDRN COC[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756462928 574239486 /nfs/dbraw/zinc/23/94/86/574239486.db2.gz BJUMWXSGBOKVQK-RKDXNWHRSA-N 0 0 259.296 2.604 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756494811 574240955 /nfs/dbraw/zinc/24/09/55/574240955.db2.gz NZEFEPCLVXTLQK-ZJUUUORDSA-N 0 0 293.317 2.742 20 10 CFCDRN CC(C)c1cnc(COC(=O)C2=CC(=O)CS2)o1 ZINC000733496428 574242208 /nfs/dbraw/zinc/24/22/08/574242208.db2.gz JEIFWKJXPOKWIO-UHFFFAOYSA-N 0 0 267.306 2.922 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756516087 574243244 /nfs/dbraw/zinc/24/32/44/574243244.db2.gz PDGUEZGMTMXCSX-SNVBAGLBSA-N 0 0 288.303 2.857 20 10 CFCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527952 574243538 /nfs/dbraw/zinc/24/35/38/574243538.db2.gz SATFMDTYJGBWLE-BDAKNGLRSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756555641 574246895 /nfs/dbraw/zinc/24/68/95/574246895.db2.gz TWBQHMJRRBGPQX-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000756555642 574247222 /nfs/dbraw/zinc/24/72/22/574247222.db2.gz TWBQHMJRRBGPQX-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN COc1ccc2cc(C(=O)NCc3ccccc3O)[nH]c2c1 ZINC000748344973 574247867 /nfs/dbraw/zinc/24/78/67/574247867.db2.gz FCAFRKVSLYNPID-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN O=C(NCc1ccccc1O)C1(c2ccc(F)cc2)CC1 ZINC000748345646 574247872 /nfs/dbraw/zinc/24/78/72/574247872.db2.gz GSNOEPMKOQMDSZ-UHFFFAOYSA-N 0 0 285.318 2.879 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756577649 574249912 /nfs/dbraw/zinc/24/99/12/574249912.db2.gz ZNVGOHMBGMRKIH-YMTOWFKASA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756607104 574251601 /nfs/dbraw/zinc/25/16/01/574251601.db2.gz MPXVDVYIVFNDPR-DMDPSCGWSA-N 0 0 294.351 2.502 20 10 CFCDRN O=C(NCc1cccc(F)c1)NCc1ccccc1O ZINC000748459655 574253815 /nfs/dbraw/zinc/25/38/15/574253815.db2.gz HYRQDRUNLUZPFF-UHFFFAOYSA-N 0 0 274.295 2.531 20 10 CFCDRN CN(CCOc1ccccc1)c1ccc2c(c1)OCO2 ZINC000756655823 574255648 /nfs/dbraw/zinc/25/56/48/574255648.db2.gz YYYBYDWSDUKBMJ-UHFFFAOYSA-N 0 0 271.316 2.931 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756661114 574256596 /nfs/dbraw/zinc/25/65/96/574256596.db2.gz XUXUHAQQCUAQMP-SECBINFHSA-N 0 0 291.282 2.685 20 10 CFCDRN CC[C@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756739501 574260187 /nfs/dbraw/zinc/26/01/87/574260187.db2.gz NZRJKMGHYHZXMO-PWSUYJOCSA-N 0 0 282.340 2.502 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000756770133 574261487 /nfs/dbraw/zinc/26/14/87/574261487.db2.gz SNUJTRILLZVOLU-DGFSRKRXSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780445 574262367 /nfs/dbraw/zinc/26/23/67/574262367.db2.gz UMUAIPYSBJTLKA-GMTAPVOTSA-N 0 0 294.351 2.907 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756786010 574262805 /nfs/dbraw/zinc/26/28/05/574262805.db2.gz WLMBILTTXIBWKE-QWRGUYRKSA-N 0 0 288.347 2.919 20 10 CFCDRN C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000756788840 574263331 /nfs/dbraw/zinc/26/33/31/574263331.db2.gz DEWFOLGPKATUPT-LBPRGKRZSA-N 0 0 289.350 2.917 20 10 CFCDRN C[C@H](NCc1cocn1)c1cc(Cl)ccc1O ZINC000756831003 574265512 /nfs/dbraw/zinc/26/55/12/574265512.db2.gz KURQTQZDAPHSFL-QMMMGPOBSA-N 0 0 252.701 2.884 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000756836462 574266573 /nfs/dbraw/zinc/26/65/73/574266573.db2.gz VRYYFSBFKZXDNU-RDDDGLTNSA-N 0 0 281.249 2.759 20 10 CFCDRN c1csc(SCCCNc2ncnc3[nH]ccc32)n1 ZINC000733993698 574267876 /nfs/dbraw/zinc/26/78/76/574267876.db2.gz AVSLDSWLWJGGHK-UHFFFAOYSA-N 0 0 291.405 2.960 20 10 CFCDRN CC1(C)C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740914874 574274204 /nfs/dbraw/zinc/27/42/04/574274204.db2.gz GWYRVNZLNSZHSP-HNNXBMFYSA-N 0 0 299.418 2.908 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(O)c1O)N2 ZINC000741258588 574284732 /nfs/dbraw/zinc/28/47/32/574284732.db2.gz PYFHABHWUZXCJQ-OAHLLOKOSA-N 0 0 284.315 2.603 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC1(C)C ZINC000734532954 574292199 /nfs/dbraw/zinc/29/21/99/574292199.db2.gz ZVXOUZONBVHUAK-CQSZACIVSA-N 0 0 289.423 2.906 20 10 CFCDRN Fc1ccc(CSc2nccs2)c(-c2nn[nH]n2)c1 ZINC000737648882 574295990 /nfs/dbraw/zinc/29/59/90/574295990.db2.gz KOWASJXZEJMQBF-UHFFFAOYSA-N 0 0 293.352 2.755 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)C2CCCC2)c1 ZINC000749537018 574299947 /nfs/dbraw/zinc/29/99/47/574299947.db2.gz ZTPMFGCHGDILEN-NSHDSACASA-N 0 0 277.364 2.843 20 10 CFCDRN CCO[C@H](C)c1noc(CSc2nccs2)n1 ZINC000734740025 574300577 /nfs/dbraw/zinc/30/05/77/574300577.db2.gz LMUXERQIBSZBRU-SSDOTTSWSA-N 0 0 271.367 2.916 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NOCC(C)C)cc1 ZINC000749788398 574309566 /nfs/dbraw/zinc/30/95/66/574309566.db2.gz HQXJYGHDYAMNCW-UHFFFAOYSA-N 0 0 293.411 2.920 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2ccco2)c1[O-] ZINC000725841521 574324694 /nfs/dbraw/zinc/32/46/94/574324694.db2.gz LXQWCAJRBNIIOI-UHFFFAOYSA-N 0 0 296.710 2.879 20 10 CFCDRN Cc1noc([C@@H](C)NCc2cc(C)c(C)cc2O)n1 ZINC000742370299 574325070 /nfs/dbraw/zinc/32/50/70/574325070.db2.gz KBYOQYBGSRINBT-SNVBAGLBSA-N 0 0 261.325 2.551 20 10 CFCDRN CCn1ccnc1CN(C)c1ccc(OC)c(OC)c1 ZINC000750522297 574345020 /nfs/dbraw/zinc/34/50/20/574345020.db2.gz KZQHYZQNYSZBFW-UHFFFAOYSA-N 0 0 275.352 2.557 20 10 CFCDRN O=c1[nH]c(NCc2ccccc2O)nc2ccccc21 ZINC000750537297 574346945 /nfs/dbraw/zinc/34/69/45/574346945.db2.gz JRDKINOEQVRQRV-UHFFFAOYSA-N 0 0 267.288 2.653 20 10 CFCDRN CN(C)c1ccc(CNc2ncnc3[nH]ccc32)cc1 ZINC000750600359 574348540 /nfs/dbraw/zinc/34/85/40/574348540.db2.gz MIMDZEYDEQIYME-UHFFFAOYSA-N 0 0 267.336 2.636 20 10 CFCDRN CCOc1cccc(NC(=S)NCc2cccn2C)c1 ZINC000743061589 574352952 /nfs/dbraw/zinc/35/29/52/574352952.db2.gz LROFLFSJBNYLGN-UHFFFAOYSA-N 0 0 289.404 2.910 20 10 CFCDRN CCN(CCc1ccccn1)C(=O)C1=CC(=O)CS1 ZINC000743541557 574368237 /nfs/dbraw/zinc/36/82/37/574368237.db2.gz USMQTVPYOHIKIU-UHFFFAOYSA-N 0 0 276.361 2.554 20 10 CFCDRN CC[C@@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000743618569 574369328 /nfs/dbraw/zinc/36/93/28/574369328.db2.gz GSNSVHDGDCGKIB-MRXNPFEDSA-N 0 0 292.423 2.916 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1Cc1ccccc1)C1=CC(=O)CS1 ZINC000743632528 574369746 /nfs/dbraw/zinc/36/97/46/574369746.db2.gz IAYWABOGMAPPTK-AAEUAGOBSA-N 0 0 273.357 2.815 20 10 CFCDRN CCO[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000743630455 574369756 /nfs/dbraw/zinc/36/97/56/574369756.db2.gz TWHXBYNUGJZGQM-VXGBXAGGSA-N 0 0 281.377 2.531 20 10 CFCDRN Cc1ccccc1O[C@@H](C)CNC(=O)C1=CC(=O)CS1 ZINC000743718829 574371259 /nfs/dbraw/zinc/37/12/59/574371259.db2.gz SMKCBBFLRWVADY-NSHDSACASA-N 0 0 291.372 2.959 20 10 CFCDRN Cc1c[nH]cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743718186 574371427 /nfs/dbraw/zinc/37/14/27/574371427.db2.gz KOQUOIOMONVQOJ-UHFFFAOYSA-N 0 0 284.359 2.838 20 10 CFCDRN CSCC[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000751396830 574376425 /nfs/dbraw/zinc/37/64/25/574376425.db2.gz XAYFKFNCAIPYHW-QMMMGPOBSA-N 0 0 259.396 2.667 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/SC ZINC000751464360 574377502 /nfs/dbraw/zinc/37/75/02/574377502.db2.gz RGVVECRBYFVIBE-ZHACJKMWSA-N 0 0 278.421 2.978 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)OCCCF)cs2)cc1 ZINC000751931081 574385363 /nfs/dbraw/zinc/38/53/63/574385363.db2.gz LZFCRZAPPSJIJR-UHFFFAOYSA-N 0 0 294.351 2.833 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cccnc1C1CC1 ZINC000752561347 574392805 /nfs/dbraw/zinc/39/28/05/574392805.db2.gz YXJBPDRHHMLEMT-UHFFFAOYSA-N 0 0 282.343 2.937 20 10 CFCDRN CN(C[C@H]1CC=CCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000753108269 574398604 /nfs/dbraw/zinc/39/86/04/574398604.db2.gz SIDBTUZMIYPEGO-GDAGCXPBSA-N 0 0 287.359 2.926 20 10 CFCDRN O=C(N[C@H]1COc2cc(F)cc(F)c21)C1=CC(=O)CS1 ZINC000753523329 574403803 /nfs/dbraw/zinc/40/38/03/574403803.db2.gz KLLLQGDAGJNNEK-VIFPVBQESA-N 0 0 297.282 2.595 20 10 CFCDRN C[C@H]([NH2+]CCC(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000818046316 597238705 /nfs/dbraw/zinc/23/87/05/597238705.db2.gz ROYCLCWNFJFQNQ-ZDUSSCGKSA-N 0 0 276.380 2.802 20 10 CFCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000828799763 601260687 /nfs/dbraw/zinc/26/06/87/601260687.db2.gz KLYDNPFFVDQGDM-UHFFFAOYSA-N 0 0 277.364 2.745 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+][C@@](C)(CC)CC(=O)[O-])c1 ZINC000830084717 601432994 /nfs/dbraw/zinc/43/29/94/601432994.db2.gz KVIKJWFMLYOXQW-HNNXBMFYSA-N 0 0 281.352 2.524 20 10 CFCDRN COc1ccc(C[NH2+]C2(CNC(=O)[O-])CCCC2)cc1C ZINC000739901475 602571589 /nfs/dbraw/zinc/57/15/89/602571589.db2.gz CVAFEUKPKLBAEG-UHFFFAOYSA-N 0 0 292.379 2.674 20 10 CFCDRN O=C([O-])N1CCc2cccc(C[NH2+]Cc3ccccc3O)c21 ZINC000832086987 603858192 /nfs/dbraw/zinc/85/81/92/603858192.db2.gz LOWMESRWXDJGIQ-UHFFFAOYSA-N 0 0 298.342 2.723 20 10 CFCDRN C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000833554061 604544930 /nfs/dbraw/zinc/54/49/30/604544930.db2.gz NOCTYQBIWGLNBP-KRWDZBQOSA-N 0 0 289.375 2.568 20 10 CFCDRN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1O ZINC000227229727 604679793 /nfs/dbraw/zinc/67/97/93/604679793.db2.gz YUFGOMVHOBPLHC-UBHSHLNASA-N 0 0 275.348 2.610 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)o1 ZINC000935949147 649964823 /nfs/dbraw/zinc/96/48/23/649964823.db2.gz ULVCDYRELLIZGP-UHFFFAOYSA-N 0 0 294.347 2.638 20 10 CFCDRN CC[C@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2O)O1 ZINC000890759474 617836813 /nfs/dbraw/zinc/83/68/13/617836813.db2.gz CWERMZYAMVKSQJ-JQWIXIFHSA-N 0 0 283.755 2.619 20 10 CFCDRN COC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760073 617837593 /nfs/dbraw/zinc/83/75/93/617837593.db2.gz ZXPGZBYXIREMRG-NXEZZACHSA-N 0 0 285.771 2.580 20 10 CFCDRN CC[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759988 617838454 /nfs/dbraw/zinc/83/84/54/617838454.db2.gz YCRGJVURIIORFP-CMPLNLGQSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1CC(F)(F)C1 ZINC000890760353 617838548 /nfs/dbraw/zinc/83/85/48/617838548.db2.gz PEFXTROEQJFRDB-UHFFFAOYSA-N 0 0 275.682 2.707 20 10 CFCDRN CCCn1nccc1C(=O)NCc1cccc(Cl)c1O ZINC000890760832 617838828 /nfs/dbraw/zinc/83/88/28/617838828.db2.gz AJHHTXGLEZIWQG-UHFFFAOYSA-N 0 0 293.754 2.582 20 10 CFCDRN CC1(OCC(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000890760733 617839225 /nfs/dbraw/zinc/83/92/25/617839225.db2.gz YDELMXYTIFGPFH-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN CCCCC[C@H](O)C(=O)NCc1cccc(Cl)c1O ZINC000890761782 617841295 /nfs/dbraw/zinc/84/12/95/617841295.db2.gz XPSYQCUHWMLICJ-LBPRGKRZSA-N 0 0 285.771 2.603 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2cc(C)on2)c1 ZINC000044692333 618028372 /nfs/dbraw/zinc/02/83/72/618028372.db2.gz GSERPJMYJWSQCE-SNVBAGLBSA-N 0 0 262.309 2.548 20 10 CFCDRN COc1ccc(N(C)Cc2nnsc2Cl)cc1 ZINC000049969732 618055755 /nfs/dbraw/zinc/05/57/55/618055755.db2.gz GXLGNWYQYFEBRQ-UHFFFAOYSA-N 0 0 269.757 2.837 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](O)CC ZINC000901053335 620747453 /nfs/dbraw/zinc/74/74/53/620747453.db2.gz NXNMVLSTXULHRF-GXTWGEPZSA-N 0 0 279.380 2.538 20 10 CFCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C)cc1 ZINC000091810668 617807364 /nfs/dbraw/zinc/80/73/64/617807364.db2.gz GMRBRTFIYOIUPD-AWEZNQCLSA-N 0 0 262.397 2.754 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000924386641 617808390 /nfs/dbraw/zinc/80/83/90/617808390.db2.gz LBGVNWXURIGSJD-GZBFAFLISA-N 0 0 288.391 2.970 20 10 CFCDRN C[C@@H](C(=O)NCc1cccc(Cl)c1O)C(C)(F)F ZINC000890761423 617839990 /nfs/dbraw/zinc/83/99/90/617839990.db2.gz RETCXOGYTBIILS-ZETCQYMHSA-N 0 0 277.698 2.953 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762760 617842256 /nfs/dbraw/zinc/84/22/56/617842256.db2.gz HUZZZLUOHLEXIW-KLHWPWHYSA-N 0 0 279.767 2.954 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890762761 617842586 /nfs/dbraw/zinc/84/25/86/617842586.db2.gz HUZZZLUOHLEXIW-NUGNTBJXSA-N 0 0 279.767 2.954 20 10 CFCDRN CCO[C@@H](C(=O)NCc1cccc(Cl)c1O)C(C)C ZINC000890763512 617843019 /nfs/dbraw/zinc/84/30/19/617843019.db2.gz XJVSBQJCQVXCNO-CYBMUJFWSA-N 0 0 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20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]CCCCF ZINC000309097408 618055355 /nfs/dbraw/zinc/05/53/55/618055355.db2.gz DKQBUEBJNQXRLI-UHFFFAOYSA-N 0 0 276.149 2.994 20 10 CFCDRN O=C(CSc1nccs1)NCCc1ccc(F)cc1 ZINC000047241437 618062839 /nfs/dbraw/zinc/06/28/39/618062839.db2.gz OXZBYMATVIFNII-UHFFFAOYSA-N 0 0 296.392 2.733 20 10 CFCDRN O=C(CSc1nccs1)Nc1ccc(O)cc1 ZINC000048875342 618076493 /nfs/dbraw/zinc/07/64/93/618076493.db2.gz ZUGRNOLMJPMGHC-UHFFFAOYSA-N 0 0 266.347 2.580 20 10 CFCDRN CC(C)[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000934705363 618110419 /nfs/dbraw/zinc/11/04/19/618110419.db2.gz XRRGYLUUVOCDKG-XJKSGUPXSA-N 0 0 291.391 2.802 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cn(C)nc1C1CC1 ZINC000891405336 618188832 /nfs/dbraw/zinc/18/88/32/618188832.db2.gz BPUMSQLABNXRDG-UHFFFAOYSA-N 0 0 283.375 2.869 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC1CC1 ZINC000840870696 618191346 /nfs/dbraw/zinc/19/13/46/618191346.db2.gz UWGHSYIDJPLBCR-LBPRGKRZSA-N 0 0 291.464 2.619 20 10 CFCDRN CC(C)CCNC(=O)NCc1cccc(Cl)c1O ZINC000891436442 618200224 /nfs/dbraw/zinc/20/02/24/618200224.db2.gz LJNNMEUUSNCEEE-UHFFFAOYSA-N 0 0 270.760 2.891 20 10 CFCDRN COC[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000077303998 618209315 /nfs/dbraw/zinc/20/93/15/618209315.db2.gz VCXZFKAONAJRDI-SNVBAGLBSA-N 0 0 292.404 2.920 20 10 CFCDRN CCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560626 618219173 /nfs/dbraw/zinc/21/91/73/618219173.db2.gz DJSQHBZOAZOLRE-CQSZACIVSA-N 0 0 290.407 2.891 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)[C@H]1CCCOC1 ZINC000850000590 618222888 /nfs/dbraw/zinc/22/28/88/618222888.db2.gz ZUNMCWLVKFQYPA-ZETCQYMHSA-N 0 0 277.798 2.884 20 10 CFCDRN CCCn1cc(NCc2ccc(OC)c(OC)c2O)cn1 ZINC000892404850 618229120 /nfs/dbraw/zinc/22/91/20/618229120.db2.gz KPMIXHCAVQVODO-UHFFFAOYSA-N 0 0 291.351 2.628 20 10 CFCDRN COc1cc(C)cc(CNc2ccc3c(c2)nnn3C)c1O ZINC000895077224 618265427 /nfs/dbraw/zinc/26/54/27/618265427.db2.gz CVGFENPITRDRDV-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)sn1 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ZINC000177660200 618468444 /nfs/dbraw/zinc/46/84/44/618468444.db2.gz ZKYVPZITKPDWFM-SKDRFNHKSA-N 0 0 263.337 2.715 20 10 CFCDRN Cc1cccnc1C(=O)NCCCSc1nccs1 ZINC000749994840 618472141 /nfs/dbraw/zinc/47/21/41/618472141.db2.gz ZCKFTITUZHQWCZ-UHFFFAOYSA-N 0 0 293.417 2.759 20 10 CFCDRN Cc1ccc(CN2c3ccccc3C[C@H]2CO)c(O)c1 ZINC000895241122 618492914 /nfs/dbraw/zinc/49/29/14/618492914.db2.gz CKDAFKPAMBSBNC-HNNXBMFYSA-N 0 0 269.344 2.624 20 10 CFCDRN COc1cc(C)cc(CN2c3ccccc3C[C@H]2CO)c1O ZINC000895241641 618493116 /nfs/dbraw/zinc/49/31/16/618493116.db2.gz OMHAZNCEUBQLOF-HNNXBMFYSA-N 0 0 299.370 2.633 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000895314585 618528582 /nfs/dbraw/zinc/52/85/82/618528582.db2.gz YLCOEJCIPPCKPH-CMPLNLGQSA-N 0 0 282.771 2.889 20 10 CFCDRN CN(C)c1cc(F)c(CN2CC[C@@H]2C(F)F)cc1F ZINC000895430308 618578555 /nfs/dbraw/zinc/57/85/55/618578555.db2.gz DOYPZJOILREUSV-LLVKDONJSA-N 0 0 276.277 2.870 20 10 CFCDRN CCOc1ccc(O)c(CN(C)Cc2ccns2)c1 ZINC000895453010 618588777 /nfs/dbraw/zinc/58/87/77/618588777.db2.gz AURNJISJQCZWKW-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000895468304 618601394 /nfs/dbraw/zinc/60/13/94/618601394.db2.gz IRVSXISQTSBCES-JGPRNRPPSA-N 0 0 280.755 2.643 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCC2(CC2)C1 ZINC000892527429 618609567 /nfs/dbraw/zinc/60/95/67/618609567.db2.gz QGFBWPYUHNFMNB-CYBMUJFWSA-N 0 0 274.364 2.914 20 10 CFCDRN CCc1c[nH]c2ncnc(NCc3cc(OC)ccc3O)c12 ZINC000892531708 618613244 /nfs/dbraw/zinc/61/32/44/618613244.db2.gz ALFCHSVIXDUVCI-UHFFFAOYSA-N 0 0 298.346 2.847 20 10 CFCDRN CNc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000892563168 618634373 /nfs/dbraw/zinc/63/43/73/618634373.db2.gz BCWRDRFKVXLMMS-UHFFFAOYSA-N 0 0 271.368 2.505 20 10 CFCDRN C/C(=C/C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000055039811 618643634 /nfs/dbraw/zinc/64/36/34/618643634.db2.gz WDOKBMVKBWOORW-BENRWUELSA-N 0 0 258.365 2.725 20 10 CFCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000055039810 618643765 /nfs/dbraw/zinc/64/37/65/618643765.db2.gz WDOKBMVKBWOORW-ZRDIBKRKSA-N 0 0 258.365 2.725 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)c(O)c1O ZINC000182288757 625282652 /nfs/dbraw/zinc/28/26/52/625282652.db2.gz IWOAFFFKVTYXRQ-UHFFFAOYSA-N 0 0 299.326 2.984 20 10 CFCDRN COc1cc(CN2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000163981242 618683471 /nfs/dbraw/zinc/68/34/71/618683471.db2.gz NPSKQSHAONIANS-GFCCVEGCSA-N 0 0 293.407 2.919 20 10 CFCDRN CCCc1noc(CN[C@H](C)c2cc(OC)ccc2O)n1 ZINC000182313496 625284051 /nfs/dbraw/zinc/28/40/51/625284051.db2.gz PDBHRXQUPGALBP-SNVBAGLBSA-N 0 0 291.351 2.587 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC(F)(F)C1 ZINC000935947688 618716509 /nfs/dbraw/zinc/71/65/09/618716509.db2.gz BRYOMESCSLJJON-UHFFFAOYSA-N 0 0 290.306 2.539 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)C(C)C)c1 ZINC000784445078 618776306 /nfs/dbraw/zinc/77/63/06/618776306.db2.gz ZWODGIZKMSSHLV-ZANVPECISA-N 0 0 269.316 2.572 20 10 CFCDRN C[C@@H](c1ccccn1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180717146 618867027 /nfs/dbraw/zinc/86/70/27/618867027.db2.gz MFJDAXLIIOCACV-CRALRDPISA-N 0 0 298.342 2.726 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2ncc(C)o2)c1 ZINC000182413649 625299147 /nfs/dbraw/zinc/29/91/47/625299147.db2.gz XRHSNQCMZWUZJF-SNVBAGLBSA-N 0 0 262.309 2.548 20 10 CFCDRN CN(C)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180922043 618869515 /nfs/dbraw/zinc/86/95/15/618869515.db2.gz KRNZOBAVXAFQOY-CSKARUKUSA-N 0 0 298.342 2.816 20 10 CFCDRN C[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181189110 618873317 /nfs/dbraw/zinc/87/33/17/618873317.db2.gz KCFDYUDSDRYSKP-AQKAQLFCSA-N 0 0 261.321 2.510 20 10 CFCDRN Cc1cc(O)c(CN(C)CCNC(=O)C(C)C)c(Cl)c1 ZINC000840919945 618940113 /nfs/dbraw/zinc/94/01/13/618940113.db2.gz DVAQKGREPJEQTL-UHFFFAOYSA-N 0 0 298.814 2.558 20 10 CFCDRN CCOC(=O)c1cnc(Sc2nc(C)co2)s1 ZINC000310116797 619050948 /nfs/dbraw/zinc/05/09/48/619050948.db2.gz UCDVZFYBOGIHEM-UHFFFAOYSA-N 0 0 270.335 2.767 20 10 CFCDRN C/C=C(\CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000190724108 619078465 /nfs/dbraw/zinc/07/84/65/619078465.db2.gz ISZJWIOUVLFKBQ-XXNJBDPSSA-N 0 0 263.337 2.934 20 10 CFCDRN Cc1cc(O)c(CN2CC(O)(C(C)C)C2)c(Cl)c1 ZINC000840952548 619124912 /nfs/dbraw/zinc/12/49/12/619124912.db2.gz DUGSXFSMEBAQLW-UHFFFAOYSA-N 0 0 269.772 2.557 20 10 CFCDRN O=C(NC/C=C/Cl)NCCCSc1nccs1 ZINC000893646811 619142571 /nfs/dbraw/zinc/14/25/71/619142571.db2.gz WFABDEQLRWUUCK-HNQUOIGGSA-N 0 0 291.829 2.677 20 10 CFCDRN CC(C)n1cc(NCc2cc3c(cc2O)OCO3)cn1 ZINC000061683239 619159462 /nfs/dbraw/zinc/15/94/62/619159462.db2.gz ILGMHOCADWVYNN-UHFFFAOYSA-N 0 0 275.308 2.510 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000893921939 619243973 /nfs/dbraw/zinc/24/39/73/619243973.db2.gz VCLXHQMBWKJDBT-UHFFFAOYSA-N 0 0 296.361 2.731 20 10 CFCDRN COc1cc(C)cc(CNc2cccnc2OC)c1O ZINC000894358356 619349531 /nfs/dbraw/zinc/34/95/31/619349531.db2.gz HXLPOMCHPADHOM-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN Cc1ccccc1CC(=O)N(C)Cc1ccccc1O ZINC000048606744 619360292 /nfs/dbraw/zinc/36/02/92/619360292.db2.gz IPRYOMPNEVXVTJ-UHFFFAOYSA-N 0 0 269.344 2.902 20 10 CFCDRN Oc1ccc(-c2csc(-c3cnccn3)n2)cc1O ZINC000048640732 619364034 /nfs/dbraw/zinc/36/40/34/619364034.db2.gz ONUBRBNIIGPROX-UHFFFAOYSA-N 0 0 271.301 2.678 20 10 CFCDRN CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000048645096 619365338 /nfs/dbraw/zinc/36/53/38/619365338.db2.gz GRFLOUFEPFOJQW-UHFFFAOYSA-N 0 0 275.396 2.838 20 10 CFCDRN C[N@H+](CCc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894448313 619388549 /nfs/dbraw/zinc/38/85/49/619388549.db2.gz FROICZOWOJFASW-UHFFFAOYSA-N 0 0 278.302 2.740 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000894777798 619463543 /nfs/dbraw/zinc/46/35/43/619463543.db2.gz MDNFIXRMGQVWNP-OAHLLOKOSA-N 0 0 293.313 2.884 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000895593684 619565925 /nfs/dbraw/zinc/56/59/25/619565925.db2.gz XIRUDGDXHKLPOF-GFCCVEGCSA-N 0 0 295.766 2.579 20 10 CFCDRN CCc1ccc(NCc2cc(OC)ccc2O)nc1 ZINC000895695194 619587582 /nfs/dbraw/zinc/58/75/82/619587582.db2.gz TUFNSROHTIVLSG-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896049279 619660763 /nfs/dbraw/zinc/66/07/63/619660763.db2.gz SKGLNGPMMXLTRN-QMMMGPOBSA-N 0 0 277.345 2.795 20 10 CFCDRN COC[C@@H](OC)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000896645042 619778289 /nfs/dbraw/zinc/77/82/89/619778289.db2.gz KGUAOGSLNDRIJV-CQSZACIVSA-N 0 0 299.330 2.861 20 10 CFCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)[C@@H]1SC ZINC000896636850 619779738 /nfs/dbraw/zinc/77/97/38/619779738.db2.gz FMLWNQIQXKJCTF-YUTCNCBUSA-N 0 0 285.384 2.530 20 10 CFCDRN CC(C)(C)OC1CC([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896636889 619780026 /nfs/dbraw/zinc/78/00/26/619780026.db2.gz IKQZZLQLYIDDLH-UHFFFAOYSA-N 0 0 267.344 2.967 20 10 CFCDRN CCOc1cc(C[NH2+]Cc2c([O-])cccc2F)ccc1O ZINC000896637564 619780438 /nfs/dbraw/zinc/78/04/38/619780438.db2.gz KPOFKDPOOOGKSQ-UHFFFAOYSA-N 0 0 291.322 2.925 20 10 CFCDRN C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896639479 619780998 /nfs/dbraw/zinc/78/09/98/619780998.db2.gz VECCTDCXQONFPR-ZJUUUORDSA-N 0 0 255.358 2.905 20 10 CFCDRN COc1cc(C[C@H](C)[NH2+]Cc2c([O-])cccc2F)ccn1 ZINC000896638524 619781193 /nfs/dbraw/zinc/78/11/93/619781193.db2.gz QTGUNTVZXJYQFT-NSHDSACASA-N 0 0 290.338 2.656 20 10 CFCDRN Cc1cccc(CN2CCn3nc(C4CC4)cc3C2)c1O ZINC000896939199 619900799 /nfs/dbraw/zinc/90/07/99/619900799.db2.gz AZYMVVZJUYVQLI-UHFFFAOYSA-N 0 0 283.375 2.790 20 10 CFCDRN Cc1cccc(NC(=S)NN=c2nc(C)cc(C)[nH]2)c1 ZINC000007521995 619931617 /nfs/dbraw/zinc/93/16/17/619931617.db2.gz AQXCAIGMWCKAIR-UHFFFAOYSA-N 0 0 287.392 2.715 20 10 CFCDRN CCO/C=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347754 619954040 /nfs/dbraw/zinc/95/40/40/619954040.db2.gz XJUFNTPNGXFTQE-CMUBDUJZSA-N 0 0 290.407 2.658 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1cc(C2CC2)n(C)n1 ZINC000897230847 619954931 /nfs/dbraw/zinc/95/49/31/619954931.db2.gz QILYTIMABRYFSA-UHFFFAOYSA-N 0 0 298.434 2.962 20 10 CFCDRN CC1(C)CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000179091949 619981199 /nfs/dbraw/zinc/98/11/99/619981199.db2.gz NGVURUYSAQGAJJ-ZDUSSCGKSA-N 0 0 291.391 2.973 20 10 CFCDRN COc1cc(CC(=O)Nc2ccc(N)cc2)ccc1C ZINC000237314124 619982061 /nfs/dbraw/zinc/98/20/61/619982061.db2.gz YILLRBNMNWKJLW-UHFFFAOYSA-N 0 0 270.332 2.767 20 10 CFCDRN CCCC1(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928705354 619995598 /nfs/dbraw/zinc/99/55/98/619995598.db2.gz KELWUSUWBMPNFD-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN CCc1oc(C(=O)NCc2c(O)cccc2F)cc1C ZINC000928705834 619995669 /nfs/dbraw/zinc/99/56/69/619995669.db2.gz NYTRMFGSIJIUEH-UHFFFAOYSA-N 0 0 277.295 2.925 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1c(O)cccc1F ZINC000928707702 619996195 /nfs/dbraw/zinc/99/61/95/619996195.db2.gz GYDIOPYFOIRGEW-GHMZBOCLSA-N 0 0 265.328 2.974 20 10 CFCDRN CCC/C(C)=C\C(=O)NCc1c(O)cccc1F ZINC000928711532 619996924 /nfs/dbraw/zinc/99/69/24/619996924.db2.gz IHHGXIWZTXLSQB-NTMALXAHSA-N 0 0 251.301 2.894 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccoc2C)c1 ZINC000728983942 620048001 /nfs/dbraw/zinc/04/80/01/620048001.db2.gz HZLXQCOZFFOTHF-SECBINFHSA-N 0 0 275.304 2.793 20 10 CFCDRN CC[C@H](C)CN(CC)C(=O)NCCc1ccc(N)cc1 ZINC000841957390 620102235 /nfs/dbraw/zinc/10/22/35/620102235.db2.gz IUCNJVIYPWJGSH-ZDUSSCGKSA-N 0 0 277.412 2.889 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000840997659 620117025 /nfs/dbraw/zinc/11/70/25/620117025.db2.gz XIMCZOXNTUCOLT-SQRWCISFSA-N 0 0 288.391 2.705 20 10 CFCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000897442779 620173150 /nfs/dbraw/zinc/17/31/50/620173150.db2.gz IYGPJLDPKWPJNM-UHFFFAOYSA-N 0 0 264.325 2.826 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)c1ncnn1C ZINC000841751884 620217165 /nfs/dbraw/zinc/21/71/65/620217165.db2.gz LETPFLHWYOIXHD-DTWKUNHWSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(Cl)cc1O ZINC000841751882 620217367 /nfs/dbraw/zinc/21/73/67/620217367.db2.gz LETPFLHWYOIXHD-BDAKNGLRSA-N 0 0 280.759 2.586 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCCCO1 ZINC000897530101 620217608 /nfs/dbraw/zinc/21/76/08/620217608.db2.gz DWXBZRIHHAECGW-UHFFFAOYSA-N 0 0 293.344 2.870 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CC23CCCCC3)c(O)c1O ZINC000182979040 625408140 /nfs/dbraw/zinc/40/81/40/625408140.db2.gz RJUAXYKERJILCJ-LBPRGKRZSA-N 0 0 275.348 2.859 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000897684506 620271198 /nfs/dbraw/zinc/27/11/98/620271198.db2.gz QKKXVWHWZOEOAC-HQJQHLMTSA-N 0 0 276.163 2.512 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)CO1 ZINC000897682898 620271286 /nfs/dbraw/zinc/27/12/86/620271286.db2.gz BDTKVBOPZILXEG-CZUORRHYSA-N 0 0 291.391 2.946 20 10 CFCDRN CCC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OC ZINC000897834292 620291290 /nfs/dbraw/zinc/29/12/90/620291290.db2.gz LZRUZLGJIGWLMY-IQIBNGDESA-N 0 0 290.407 2.697 20 10 CFCDRN Cn1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000898045637 620320242 /nfs/dbraw/zinc/32/02/42/620320242.db2.gz QLRWKKHZGVLZDW-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccc1O ZINC000898257215 620365564 /nfs/dbraw/zinc/36/55/64/620365564.db2.gz PVXRXFRHHKGDHD-CDGCEXEKSA-N 0 0 274.364 2.941 20 10 CFCDRN C[C@@H](Cc1cccnc1)NC(=O)N(C)Cc1ccccc1O ZINC000898341262 620373515 /nfs/dbraw/zinc/37/35/15/620373515.db2.gz YXFLNFWKNJANMQ-ZDUSSCGKSA-N 0 0 299.374 2.560 20 10 CFCDRN CON(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000183093397 625430162 /nfs/dbraw/zinc/43/01/62/625430162.db2.gz CSIGLNDBLFCBCR-CSKARUKUSA-N 0 0 299.326 2.701 20 10 CFCDRN CCCCN(Cc1cn(CC)nn1)Cc1ccccc1O ZINC000899137641 620524884 /nfs/dbraw/zinc/52/48/84/620524884.db2.gz LOSWCZWTYWKQQK-UHFFFAOYSA-N 0 0 288.395 2.806 20 10 CFCDRN C[C@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccccc1O ZINC000899181930 620528319 /nfs/dbraw/zinc/52/83/19/620528319.db2.gz OROHWBNPBHFPFU-QWRGUYRKSA-N 0 0 299.374 2.731 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C=CCC2)cc1 ZINC000899199345 620530367 /nfs/dbraw/zinc/53/03/67/620530367.db2.gz IBNPTZRMEUOYAA-JTQLQIEISA-N 0 0 272.308 2.545 20 10 CFCDRN O=C(NC[C@H]1CCC2(CCC2)CO1)C1=CC(=O)CS1 ZINC000899467626 620573345 /nfs/dbraw/zinc/57/33/45/620573345.db2.gz RXOLKORNRSWINR-LLVKDONJSA-N 0 0 281.377 2.533 20 10 CFCDRN CN(CCCF)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899815572 620602316 /nfs/dbraw/zinc/60/23/16/620602316.db2.gz VLSFYBGHZPDSFR-UHFFFAOYSA-N 0 0 283.324 2.744 20 10 CFCDRN CCOc1ccc(CNc2cccn(CC)c2=O)c(O)c1 ZINC000902121101 620982520 /nfs/dbraw/zinc/98/25/20/620982520.db2.gz FXEOTGRZZRJTDG-UHFFFAOYSA-N 0 0 288.347 2.585 20 10 CFCDRN Cc1ccc(O)c(CNc2nccnc2C2CC2)c1 ZINC000902166012 620991640 /nfs/dbraw/zinc/99/16/40/620991640.db2.gz HOJYGJMFUYFLKA-UHFFFAOYSA-N 0 0 255.321 2.980 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)c(=O)n(C)c1 ZINC000902255750 621007170 /nfs/dbraw/zinc/00/71/70/621007170.db2.gz KYWAOFWBUHWQSX-UHFFFAOYSA-N 0 0 289.354 2.511 20 10 CFCDRN CN(C)c1ccc(OCc2ccc(N(C)C)nc2)cc1 ZINC000902357691 621051406 /nfs/dbraw/zinc/05/14/06/621051406.db2.gz CNWKCSGIFHOLAC-UHFFFAOYSA-N 0 0 271.364 2.793 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC[C@H]3CCNC3=O)cc12 ZINC000902446154 621083598 /nfs/dbraw/zinc/08/35/98/621083598.db2.gz RSIYXUKBVZRLIO-CYBMUJFWSA-N 0 0 286.375 2.700 20 10 CFCDRN CC(C)OCc1noc(COc2ccc(N(C)C)cc2)n1 ZINC000902734466 621161477 /nfs/dbraw/zinc/16/14/77/621161477.db2.gz WQPVCXQEIVIXKA-UHFFFAOYSA-N 0 0 291.351 2.640 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC1CCCC1 ZINC000902944482 621207273 /nfs/dbraw/zinc/20/72/73/621207273.db2.gz HOSGFMSMNOKCQV-UHFFFAOYSA-N 0 0 266.316 2.521 20 10 CFCDRN CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000903254658 621300435 /nfs/dbraw/zinc/30/04/35/621300435.db2.gz SYZRZJSSDKKTIZ-SRHKJQAYSA-N 0 0 296.798 2.740 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C\c1cn(C)cn1 ZINC000903259519 621302464 /nfs/dbraw/zinc/30/24/64/621302464.db2.gz OHNLOHODOAGBCQ-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1ccc(F)cc1[O-] ZINC000903336796 621333410 /nfs/dbraw/zinc/33/34/10/621333410.db2.gz FAOLTBQCBILAPN-ZDUSSCGKSA-N 0 0 293.342 2.514 20 10 CFCDRN C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(Cl)cc1[O-] ZINC000903331602 621341219 /nfs/dbraw/zinc/34/12/19/621341219.db2.gz DQEDVDCEXKPOAP-GRZMOONWSA-N 0 0 269.772 2.857 20 10 CFCDRN CC(C)O[C@@]1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCOC1 ZINC000903356435 621346977 /nfs/dbraw/zinc/34/69/77/621346977.db2.gz DIXDMWDJHJHAMM-MLGOLLRUSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(F)cc1[O-] ZINC000903406999 621362310 /nfs/dbraw/zinc/36/23/10/621362310.db2.gz LPXKOIQAEGFFSX-ZIAGYGMSSA-N 0 0 267.344 2.733 20 10 CFCDRN Cc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183419094 625487038 /nfs/dbraw/zinc/48/70/38/625487038.db2.gz FIZVTNPQQSPNIG-LBPRGKRZSA-N 0 0 285.343 2.767 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1 ZINC000903881105 621463338 /nfs/dbraw/zinc/46/33/38/621463338.db2.gz DRIUMEMUPGXOIM-QDZRJHCZSA-N 0 0 299.399 2.961 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429894 621594656 /nfs/dbraw/zinc/59/46/56/621594656.db2.gz AZXONCDDHIKNMM-OAHLLOKOSA-N 0 0 298.789 2.903 20 10 CFCDRN CC1(C)CC[C@@H](CCNC(=O)Nc2ccc(N)cc2)OC1 ZINC000904501671 621602674 /nfs/dbraw/zinc/60/26/74/621602674.db2.gz VWVRSDDMRCQBGX-AWEZNQCLSA-N 0 0 291.395 2.986 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nnc([C@H]2CCCO2)o1 ZINC000905408001 621760292 /nfs/dbraw/zinc/76/02/92/621760292.db2.gz LUTUHXFSBUGLMU-SNVBAGLBSA-N 0 0 297.261 2.517 20 10 CFCDRN C[C@H]1C[C@@H]1c1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905417670 621764023 /nfs/dbraw/zinc/76/40/23/621764023.db2.gz CLEVBSZCQQHJDL-RCOVLWMOSA-N 0 0 281.262 2.789 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nnc(C2CCC2)o1 ZINC000905425115 621768525 /nfs/dbraw/zinc/76/85/25/621768525.db2.gz NLNKHQLMOGVZDB-UHFFFAOYSA-N 0 0 281.262 2.933 20 10 CFCDRN CNC(=O)c1ccc(C)c(NCc2cc(C)ccc2O)c1 ZINC000071407686 625515587 /nfs/dbraw/zinc/51/55/87/625515587.db2.gz SFLRRDJQGMRVKX-UHFFFAOYSA-N 0 0 284.359 2.981 20 10 CFCDRN O=C(N[C@@H]1CC2CCC1CC2)c1c(F)ccc(O)c1O ZINC000832838369 625531912 /nfs/dbraw/zinc/53/19/12/625531912.db2.gz UBJUDYPNJDSUPC-NWGYLPEXSA-N 0 0 279.311 2.545 20 10 CFCDRN COC1(C(=O)NCc2ccc(N)cc2)CCCCCC1 ZINC000906627365 622025766 /nfs/dbraw/zinc/02/57/66/622025766.db2.gz NDVXFRPSAZBYJP-UHFFFAOYSA-N 0 0 276.380 2.624 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC(=O)C1 ZINC000908475915 622236661 /nfs/dbraw/zinc/23/66/61/622236661.db2.gz ZKKIEHQQECWZNM-UHFFFAOYSA-N 0 0 288.372 2.617 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910950819 622489119 /nfs/dbraw/zinc/48/91/19/622489119.db2.gz JQUYZVWMUNRNIQ-MNOVXSKESA-N 0 0 263.337 2.540 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910953527 622489174 /nfs/dbraw/zinc/48/91/74/622489174.db2.gz DKVMZZVUKPYMSM-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910943371 622491352 /nfs/dbraw/zinc/49/13/52/622491352.db2.gz BALBXMFWMODJEG-BMIGLBTASA-N 0 0 263.337 2.540 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000910944096 622491443 /nfs/dbraw/zinc/49/14/43/622491443.db2.gz RKWVCONEAPMOEI-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)c1cccc2c1CCCC2 ZINC000910943340 622491476 /nfs/dbraw/zinc/49/14/76/622491476.db2.gz AJQRCUNHVZHZEX-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910945380 622491788 /nfs/dbraw/zinc/49/17/88/622491788.db2.gz UHOHVPQYVCELON-LLVKDONJSA-N 0 0 265.353 2.786 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCNCc2ccccc21 ZINC000911762195 622549129 /nfs/dbraw/zinc/54/91/29/622549129.db2.gz WZJAQXRMYAPABJ-VOTSOKGWSA-N 0 0 299.399 2.601 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000820580775 622707494 /nfs/dbraw/zinc/70/74/94/622707494.db2.gz FYNYZHNRZVZIRS-NXEZZACHSA-N 0 0 274.324 2.720 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(N(C)C)cn2)cc1 ZINC000150903713 622767562 /nfs/dbraw/zinc/76/75/62/622767562.db2.gz MRTSMXHRYHQNCY-UHFFFAOYSA-N 0 0 270.380 2.826 20 10 CFCDRN CCOc1cccc(CNc2ccc(N(C)C)cn2)c1O ZINC000150898368 622767706 /nfs/dbraw/zinc/76/77/06/622767706.db2.gz RMMUNVQCRJDBSK-UHFFFAOYSA-N 0 0 287.363 2.864 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2C(F)(F)F)c(O)c1O ZINC000913019680 622827248 /nfs/dbraw/zinc/82/72/48/622827248.db2.gz GXDIRKSPMBUVJE-SECBINFHSA-N 0 0 289.253 2.573 20 10 CFCDRN CCC[C@H](CC)C(=O)NCc1cc(OC)ccc1O ZINC000821066596 622838852 /nfs/dbraw/zinc/83/88/52/622838852.db2.gz ZUQXFSMVSZIJPN-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN [NH3+]C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044527658 622918155 /nfs/dbraw/zinc/91/81/55/622918155.db2.gz SYOCPPHUYCWAOE-VIFPVBQESA-N 0 0 289.206 2.870 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000224895291 623018867 /nfs/dbraw/zinc/01/88/67/623018867.db2.gz ZJJDWDINWZKWIG-NWDGAFQWSA-N 0 0 269.772 2.949 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Nc2ccsc2)c1 ZINC000157345231 623029335 /nfs/dbraw/zinc/02/93/35/623029335.db2.gz ZNCDULMTIZTBHN-UHFFFAOYSA-N 0 0 278.333 2.784 20 10 CFCDRN CCC(C)(C)[C@@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000822082382 623030307 /nfs/dbraw/zinc/03/03/07/623030307.db2.gz MARBKMJWYPQPCU-DOMZBBRYSA-N 0 0 292.423 2.727 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000822227119 623059748 /nfs/dbraw/zinc/05/97/48/623059748.db2.gz VUDGTSSEUSTBKT-YCPHGPKFSA-N 0 0 272.392 2.805 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccccc3)ccc21 ZINC000058768510 623063709 /nfs/dbraw/zinc/06/37/09/623063709.db2.gz RFLNJWKXXBQAGT-UHFFFAOYSA-N 0 0 280.371 2.999 20 10 CFCDRN CCC[C@H](OC)c1noc(Cc2ccc(N)cc2)n1 ZINC000227315831 623106178 /nfs/dbraw/zinc/10/61/78/623106178.db2.gz FATKICJCKPGFPP-LBPRGKRZSA-N 0 0 261.325 2.730 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000227535386 623112004 /nfs/dbraw/zinc/11/20/04/623112004.db2.gz OJJXXHIYISDEGM-GHMZBOCLSA-N 0 0 263.337 2.796 20 10 CFCDRN COc1ccc(O)c([C@@H]2NC(=O)c3cccc(C)c3N2)c1 ZINC000075673329 623112991 /nfs/dbraw/zinc/11/29/91/623112991.db2.gz OJCUYIORIQJZSH-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN CCOC(=O)CN(CC=C(C)C)Cc1ccccc1O ZINC000822511629 623117886 /nfs/dbraw/zinc/11/78/86/623117886.db2.gz KNCMFHPQXCIOMW-UHFFFAOYSA-N 0 0 277.364 2.724 20 10 CFCDRN COc1cc(Cl)cc(CNCc2cc(C)on2)c1O ZINC000228672306 623155701 /nfs/dbraw/zinc/15/57/01/623155701.db2.gz JUWIJNNGVZTWKZ-UHFFFAOYSA-N 0 0 282.727 2.640 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nc(C(F)F)no2)c1 ZINC000822818207 623181281 /nfs/dbraw/zinc/18/12/81/623181281.db2.gz MWYCJGQPAHOCDS-SSDOTTSWSA-N 0 0 299.277 2.572 20 10 CFCDRN CON(CC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822881129 623195992 /nfs/dbraw/zinc/19/59/92/623195992.db2.gz AITJJYYGTUCBNH-UHFFFAOYSA-N 0 0 292.339 2.899 20 10 CFCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCCCC2)cc1 ZINC000076818171 623205705 /nfs/dbraw/zinc/20/57/05/623205705.db2.gz XLIWHBNYYHWGJO-UHFFFAOYSA-N 0 0 290.407 2.972 20 10 CFCDRN CN(CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171742182 623241424 /nfs/dbraw/zinc/24/14/24/623241424.db2.gz RNSODHGQQQKNHE-UHFFFAOYSA-N 0 0 297.349 2.693 20 10 CFCDRN CN(Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC000171926023 623248663 /nfs/dbraw/zinc/24/86/63/623248663.db2.gz STHUMURZEZTGLZ-UHFFFAOYSA-N 0 0 281.359 2.911 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230393086 623273108 /nfs/dbraw/zinc/27/31/08/623273108.db2.gz FVPSZNWQIVJDGQ-JTQLQIEISA-N 0 0 255.745 2.562 20 10 CFCDRN CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748479 623295700 /nfs/dbraw/zinc/29/57/00/623295700.db2.gz PNLZVBUZXOTLSM-NSHDSACASA-N 0 0 254.349 2.522 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2ccncc2F)cc1 ZINC000823371916 623301116 /nfs/dbraw/zinc/30/11/16/623301116.db2.gz PTVBRCQNUBVKMX-UHFFFAOYSA-N 0 0 273.355 2.919 20 10 CFCDRN CCCCCN(CC(=O)OCC)Cc1ccccc1O ZINC000823576734 623351438 /nfs/dbraw/zinc/35/14/38/623351438.db2.gz WWQDGQSVYBEOEQ-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000173580615 623358850 /nfs/dbraw/zinc/35/88/50/623358850.db2.gz VQAVLYCSYOLNBX-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)[C@H]1C ZINC000823689219 623377172 /nfs/dbraw/zinc/37/71/72/623377172.db2.gz FKOHEWZOKHVPNY-VWYCJHECSA-N 0 0 288.351 2.966 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC2CC(F)(F)C2)cc1 ZINC000823729944 623387722 /nfs/dbraw/zinc/38/77/22/623387722.db2.gz OVNWIDHWJCUVBQ-UHFFFAOYSA-N 0 0 282.334 2.804 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCF ZINC000840483099 623403954 /nfs/dbraw/zinc/40/39/54/623403954.db2.gz HPESBTOFDVRZIQ-ZDUSSCGKSA-N 0 0 295.402 2.603 20 10 CFCDRN Oc1ccc(CNc2ncnc3sccc32)cc1O ZINC000174418815 623417751 /nfs/dbraw/zinc/41/77/51/623417751.db2.gz CAKVJUUTWXZRLK-UHFFFAOYSA-N 0 0 273.317 2.715 20 10 CFCDRN C[C@H](NC(=O)NOCC1CCC1)c1ccc(N(C)C)cc1 ZINC000824089492 623449018 /nfs/dbraw/zinc/44/90/18/623449018.db2.gz PMNJNOWNARYNMW-LBPRGKRZSA-N 0 0 291.395 2.845 20 10 CFCDRN CCn1nnc(C)c1CN1CCCc2cc(OC)ccc21 ZINC000824131664 623457021 /nfs/dbraw/zinc/45/70/21/623457021.db2.gz ZNQDQZUGINMEPB-UHFFFAOYSA-N 0 0 286.379 2.568 20 10 CFCDRN CC[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000824510558 623514209 /nfs/dbraw/zinc/51/42/09/623514209.db2.gz WEVFXOORSOCGHI-AWEZNQCLSA-N 0 0 284.350 2.657 20 10 CFCDRN CCOc1ccc(CN[C@@H](CC)C(F)F)c(O)c1 ZINC000824508156 623514252 /nfs/dbraw/zinc/51/42/52/623514252.db2.gz AYOLECKHWUHRNZ-NSHDSACASA-N 0 0 259.296 2.924 20 10 CFCDRN COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1O ZINC000824541648 623519692 /nfs/dbraw/zinc/51/96/92/623519692.db2.gz FZCWFEBBEMTXIS-ZDUSSCGKSA-N 0 0 297.782 2.882 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824533992 623519746 /nfs/dbraw/zinc/51/97/46/623519746.db2.gz WEJAMHFGIGUBHT-LLVKDONJSA-N 0 0 281.718 2.616 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](O)C(F)F ZINC000824636099 623536562 /nfs/dbraw/zinc/53/65/62/623536562.db2.gz LTZDYKHWLOWOKI-ONGXEEELSA-N 0 0 297.704 2.679 20 10 CFCDRN COC(=O)C(C)(C)N(C)Cc1cc(Cl)c(C)cc1O ZINC000824687809 623545801 /nfs/dbraw/zinc/54/58/01/623545801.db2.gz BFNNOTSETNLQSU-UHFFFAOYSA-N 0 0 285.771 2.737 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)C1(C2CC2)CCC1 ZINC000913726475 623569428 /nfs/dbraw/zinc/56/94/28/623569428.db2.gz PVRRKFKGVIQJNI-UHFFFAOYSA-N 0 0 257.333 2.815 20 10 CFCDRN CNc1nc(C)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC000913763746 623580963 /nfs/dbraw/zinc/58/09/63/623580963.db2.gz QJXWKJRQFMWPAS-LLVKDONJSA-N 0 0 285.347 2.628 20 10 CFCDRN CCn1ccc(C(=O)NCc2cc(C)ccc2O)c1C ZINC000824904466 623586168 /nfs/dbraw/zinc/58/61/68/623586168.db2.gz OKOWZPAOELYSIF-UHFFFAOYSA-N 0 0 272.348 2.760 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000824976718 623598709 /nfs/dbraw/zinc/59/87/09/623598709.db2.gz FKYQNNLGUSLQHG-RYUDHWBXSA-N 0 0 294.351 2.691 20 10 CFCDRN CCc1ncc(CNCc2ccc(OC)c(C)c2)o1 ZINC000825079113 623624307 /nfs/dbraw/zinc/62/43/07/623624307.db2.gz LUWRMGXLSPPXSF-UHFFFAOYSA-N 0 0 260.337 2.844 20 10 CFCDRN C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000825311075 623668898 /nfs/dbraw/zinc/66/88/98/623668898.db2.gz GDLPCTFNXGWAQB-KCJUWKMLSA-N 0 0 290.190 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627428844 /nfs/dbraw/zinc/42/88/44/627428844.db2.gz BYUNRCAQVUGABN-UHFFFAOYSA-N 0 0 298.342 2.589 20 10 CFCDRN COc1cc(C)c(NC(=O)c2cccc(O)c2O)cc1C ZINC000769698374 627467310 /nfs/dbraw/zinc/46/73/10/627467310.db2.gz ZMSUFPSUTGZWGV-UHFFFAOYSA-N 0 0 287.315 2.976 20 10 CFCDRN Cc1cnccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000769947360 627490398 /nfs/dbraw/zinc/49/03/98/627490398.db2.gz JCHHDTUJRLEZPX-UHFFFAOYSA-N 0 0 283.375 2.694 20 10 CFCDRN O=C(NCCCSc1nccs1)c1nccs1 ZINC000770483719 627525269 /nfs/dbraw/zinc/52/52/69/627525269.db2.gz FRWBQNADHBFYCN-UHFFFAOYSA-N 0 0 285.419 2.512 20 10 CFCDRN CCc1ccccc1CNC(=O)c1ccc(C)c(O)c1O ZINC000770504194 627526028 /nfs/dbraw/zinc/52/60/28/627526028.db2.gz WDFMGSVTNPTLNU-UHFFFAOYSA-N 0 0 285.343 2.899 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000770577585 627531168 /nfs/dbraw/zinc/53/11/68/627531168.db2.gz FBFFBSKVSHVDNF-UHFFFAOYSA-N 0 0 295.386 2.651 20 10 CFCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000770746150 627546004 /nfs/dbraw/zinc/54/60/04/627546004.db2.gz KHHPUGRVNROAFP-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN CCC(CC)n1ccc(C(=O)NCc2ccccc2O)n1 ZINC000771004676 627568673 /nfs/dbraw/zinc/56/86/73/627568673.db2.gz LZLRDFUCIZMWMG-UHFFFAOYSA-N 0 0 287.363 2.880 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)(O)C(C)C ZINC000771288622 627590956 /nfs/dbraw/zinc/59/09/56/627590956.db2.gz USHMNLCDBJLCJG-KRWDZBQOSA-N 0 0 292.423 2.508 20 10 CFCDRN Cc1cnccc1C(=O)NCCCSc1nccs1 ZINC000771340623 627594088 /nfs/dbraw/zinc/59/40/88/627594088.db2.gz GDPWYVPBXJAMKE-UHFFFAOYSA-N 0 0 293.417 2.759 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nnc(CC)[nH]2)cc1 ZINC000771762070 627629196 /nfs/dbraw/zinc/62/91/96/627629196.db2.gz FBUFSRZHYALLQS-UHFFFAOYSA-N 0 0 274.368 2.792 20 10 CFCDRN Cc1ccc(COC(=O)C2=CC(=O)CS2)c(C)n1 ZINC000772112012 627673640 /nfs/dbraw/zinc/67/36/40/627673640.db2.gz ALJPGHWYKALJCI-UHFFFAOYSA-N 0 0 263.318 2.823 20 10 CFCDRN C[C@H](NC(=O)c1cccn1C)c1ccc(N(C)C)cc1 ZINC000772996900 627766045 /nfs/dbraw/zinc/76/60/45/627766045.db2.gz TVOOVRWCFUAPHV-LBPRGKRZSA-N 0 0 271.364 2.582 20 10 CFCDRN Cc1[nH]ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019904 627769881 /nfs/dbraw/zinc/76/98/81/627769881.db2.gz RATRWBPCOGXKAN-LLVKDONJSA-N 0 0 271.364 2.880 20 10 CFCDRN C[C@H](NC(=O)CC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773020788 627770238 /nfs/dbraw/zinc/77/02/38/627770238.db2.gz VZRGUCMJRVKMLE-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H](NC(=O)C1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000773022542 627770396 /nfs/dbraw/zinc/77/03/96/627770396.db2.gz VRHZIVWEQYALAE-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773028412 627771991 /nfs/dbraw/zinc/77/19/91/627771991.db2.gz ZNJCWDCNSZISHF-SMDDNHRTSA-N 0 0 278.421 2.825 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)COC1(C)CCC1 ZINC000773058497 627775678 /nfs/dbraw/zinc/77/56/78/627775678.db2.gz HPFPTGHOJSRRME-UHFFFAOYSA-N 0 0 290.407 2.636 20 10 CFCDRN C[C@H](NS(=O)(=O)CC1CCC1)c1ccc(N(C)C)cc1 ZINC000773085581 627781468 /nfs/dbraw/zinc/78/14/68/627781468.db2.gz XZMXJTKAOJQRIT-LBPRGKRZSA-N 0 0 296.436 2.533 20 10 CFCDRN CCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773087776 627781778 /nfs/dbraw/zinc/78/17/78/627781778.db2.gz KMKVBOVUYARVON-GFCCVEGCSA-N 0 0 263.385 2.865 20 10 CFCDRN C[C@@H](NC(=O)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC000773190486 627793497 /nfs/dbraw/zinc/79/34/97/627793497.db2.gz KVWAAVDREINPAX-GFCCVEGCSA-N 0 0 275.396 2.913 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)COC2(C)CCC2)cc1 ZINC000773262780 627799597 /nfs/dbraw/zinc/79/95/97/627799597.db2.gz MQBLJUMKRKSZJM-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773266226 627801005 /nfs/dbraw/zinc/80/10/05/627801005.db2.gz MEVZXUSQRIGDLC-OLZOCXBDSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@@H](NC(=O)NC1CCC1)c1ccc(N(C)C)cc1 ZINC000773280782 627801350 /nfs/dbraw/zinc/80/13/50/627801350.db2.gz GYENJPJEUGZLFR-LLVKDONJSA-N 0 0 261.369 2.665 20 10 CFCDRN C[C@H](NC(=O)NC1CCC1)c1ccc(N(C)C)cc1 ZINC000773280783 627801579 /nfs/dbraw/zinc/80/15/79/627801579.db2.gz GYENJPJEUGZLFR-NSHDSACASA-N 0 0 261.369 2.665 20 10 CFCDRN C[C@H](NC(=O)NCCC1CC1)c1ccc(N(C)C)cc1 ZINC000773337765 627807591 /nfs/dbraw/zinc/80/75/91/627807591.db2.gz KMARJGCZJQHUPU-LBPRGKRZSA-N 0 0 275.396 2.913 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCCC1 ZINC000773752237 627854462 /nfs/dbraw/zinc/85/44/62/627854462.db2.gz XNXYWNBEMFZBGP-LLVKDONJSA-N 0 0 275.348 2.645 20 10 CFCDRN CCC[C@@H](C(=O)NCc1ccccc1O)c1ccccn1 ZINC000774064605 627883630 /nfs/dbraw/zinc/88/36/30/627883630.db2.gz LPNWJQKEJABZMO-CQSZACIVSA-N 0 0 284.359 2.987 20 10 CFCDRN CCC1(O)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000774317430 627914661 /nfs/dbraw/zinc/91/46/61/627914661.db2.gz HESRVUPVDBHVNK-UHFFFAOYSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1ccsc1CCNC(=O)C1=CC(=O)CS1 ZINC000774344664 627917436 /nfs/dbraw/zinc/91/74/36/627917436.db2.gz BMMSXXLFVUIXEG-UHFFFAOYSA-N 0 0 267.375 2.796 20 10 CFCDRN CCOC(=O)c1sc(NCc2ccccc2O)nc1C ZINC000774524032 627934738 /nfs/dbraw/zinc/93/47/38/627934738.db2.gz MQNUFYVJUPCSDB-UHFFFAOYSA-N 0 0 292.360 2.946 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000774982177 627983013 /nfs/dbraw/zinc/98/30/13/627983013.db2.gz CYFCICLLECDHRN-SECBINFHSA-N 0 0 280.324 2.587 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C)no2)c1 ZINC000775373001 628016650 /nfs/dbraw/zinc/01/66/50/628016650.db2.gz KXJIWJVCRSDAFJ-DTWKUNHWSA-N 0 0 277.324 2.504 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000775407338 628021825 /nfs/dbraw/zinc/02/18/25/628021825.db2.gz SQVJRJZJENNJIQ-GFCCVEGCSA-N 0 0 284.359 2.949 20 10 CFCDRN CC(=O)CCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403174 628021934 /nfs/dbraw/zinc/02/19/34/628021934.db2.gz HCAQDWATIFIXBC-ZDUSSCGKSA-N 0 0 276.380 2.689 20 10 CFCDRN Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775411958 628023111 /nfs/dbraw/zinc/02/31/11/628023111.db2.gz SJNAMIRHIJLMAS-NSHDSACASA-N 0 0 299.374 2.653 20 10 CFCDRN Fc1cnccc1NCCCSc1nccs1 ZINC000775484109 628030342 /nfs/dbraw/zinc/03/03/42/628030342.db2.gz KRHCOOTXCBTGGA-UHFFFAOYSA-N 0 0 269.370 2.693 20 10 CFCDRN COC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775644661 628049312 /nfs/dbraw/zinc/04/93/12/628049312.db2.gz MZDZWFDCPHGJLS-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@H](NCc1nnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000775837919 628074166 /nfs/dbraw/zinc/07/41/66/628074166.db2.gz VMCJWZLTQXJLGC-NSHDSACASA-N 0 0 286.379 2.864 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000775918923 628083587 /nfs/dbraw/zinc/08/35/87/628083587.db2.gz UEXDLVGTWDDORZ-NSHDSACASA-N 0 0 285.702 2.601 20 10 CFCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)nc1 ZINC000775949451 628087158 /nfs/dbraw/zinc/08/71/58/628087158.db2.gz OPCARQDUXGQCLQ-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981428 628090243 /nfs/dbraw/zinc/09/02/43/628090243.db2.gz QPJJPPVHCZZSIW-GHMZBOCLSA-N 0 0 268.788 2.570 20 10 CFCDRN C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981434 628090297 /nfs/dbraw/zinc/09/02/97/628090297.db2.gz QPJJPPVHCZZSIW-QWRGUYRKSA-N 0 0 268.788 2.570 20 10 CFCDRN COc1cc(O)c(CNc2ncccc2C)cc1OC ZINC000776024616 628095062 /nfs/dbraw/zinc/09/50/62/628095062.db2.gz PKBZEIXPDVUTFF-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN Cc1nccn1CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776023596 628095070 /nfs/dbraw/zinc/09/50/70/628095070.db2.gz LHAPGWKQJIOFEH-UHFFFAOYSA-N 0 0 297.761 2.870 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000776174143 628111397 /nfs/dbraw/zinc/11/13/97/628111397.db2.gz JBZMCLBTCGHLAN-VIFPVBQESA-N 0 0 283.677 2.713 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000776249258 628121952 /nfs/dbraw/zinc/12/19/52/628121952.db2.gz WDHCCNFOSUFLAV-OTCDBFHCSA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(O)c1O ZINC000776281914 628125724 /nfs/dbraw/zinc/12/57/24/628125724.db2.gz MDPQUCRXGUSUAR-RISCZKNCSA-N 0 0 294.347 2.850 20 10 CFCDRN O=C(OCc1cccc(F)c1)c1cccc(O)c1O ZINC000776282961 628126108 /nfs/dbraw/zinc/12/61/08/628126108.db2.gz ZPYYBBMVJQMNOV-UHFFFAOYSA-N 0 0 262.236 2.594 20 10 CFCDRN Cc1nccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000776495396 628154064 /nfs/dbraw/zinc/15/40/64/628154064.db2.gz CQILWAPXKHCGOX-NSHDSACASA-N 0 0 299.378 2.734 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H](F)Cc1ccccc1 ZINC000778390119 628303583 /nfs/dbraw/zinc/30/35/83/628303583.db2.gz WLPKSIMJFFLBIL-AWEZNQCLSA-N 0 0 273.307 2.589 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(F)cc(F)c1[O-] ZINC000779065645 628349505 /nfs/dbraw/zinc/34/95/05/628349505.db2.gz NDZWHSIWLJMEHY-KOLCDFICSA-N 0 0 293.317 2.533 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779079860 628350083 /nfs/dbraw/zinc/35/00/83/628350083.db2.gz PTNOKBLRQMXPJW-PWSUYJOCSA-N 0 0 294.351 2.909 20 10 CFCDRN CCOc1cccc(NCc2cc(F)ccc2O)n1 ZINC000779093773 628351759 /nfs/dbraw/zinc/35/17/59/628351759.db2.gz ZQGGXVNGLBEJNU-UHFFFAOYSA-N 0 0 262.284 2.937 20 10 CFCDRN CC(C)(O)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000779192172 628358788 /nfs/dbraw/zinc/35/87/88/628358788.db2.gz KQVVVGFVMCUBMK-UHFFFAOYSA-N 0 0 287.762 2.920 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC(Cc2ccccc2)C1 ZINC000779329165 628374744 /nfs/dbraw/zinc/37/47/44/628374744.db2.gz QNDCRVFNWUDGRN-UHFFFAOYSA-N 0 0 273.357 2.768 20 10 CFCDRN CCC(C)(C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779517627 628386249 /nfs/dbraw/zinc/38/62/49/628386249.db2.gz CCGMFBKBDNTSSH-CLFYSBASSA-N 0 0 263.337 2.758 20 10 CFCDRN C[C@@H]1CCCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779522521 628386347 /nfs/dbraw/zinc/38/63/47/628386347.db2.gz TZXGBXKFHSHLAT-YPUOHESYSA-N 0 0 275.348 2.902 20 10 CFCDRN Cc1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779530610 628387023 /nfs/dbraw/zinc/38/70/23/628387023.db2.gz SZKYBNSEXUUPEZ-GQCTYLIASA-N 0 0 290.344 2.823 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC(F)(F)CC1 ZINC000779540271 628387066 /nfs/dbraw/zinc/38/70/66/628387066.db2.gz PYMNCVOXFQJUTC-RQOWECAXSA-N 0 0 297.301 2.805 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183246 628437561 /nfs/dbraw/zinc/43/75/61/628437561.db2.gz FDWOVAWHQWDHLG-TZMCWYRMSA-N 0 0 275.396 2.740 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC1=CCCOC1 ZINC000780767685 628495710 /nfs/dbraw/zinc/49/57/10/628495710.db2.gz UYHQMEPRQPMRFZ-UHFFFAOYSA-N 0 0 259.349 2.795 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780967339 628509149 /nfs/dbraw/zinc/50/91/49/628509149.db2.gz SQMVFCPDPDEWAI-CMPLNLGQSA-N 0 0 263.337 2.715 20 10 CFCDRN O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cccc(O)c1O ZINC000839804910 628545344 /nfs/dbraw/zinc/54/53/44/628545344.db2.gz CVEOQORYMWXHLD-VXGBXAGGSA-N 0 0 275.348 2.654 20 10 CFCDRN COC[C@H](CN(CC1CC1)c1ccc(OC)cc1)OC ZINC000852134642 634666045 /nfs/dbraw/zinc/66/60/45/634666045.db2.gz GEHTYJFIHJSLIF-INIZCTEOSA-N 0 0 279.380 2.573 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C)CC(F)(F)F)c(O)c1O ZINC000781789791 628580982 /nfs/dbraw/zinc/58/09/82/628580982.db2.gz URPNWDFXSCRELJ-UHFFFAOYSA-N 0 0 291.269 2.867 20 10 CFCDRN CCOC(=O)[C@@H](CC(C)C)NCc1ccc2c(c1)CCO2 ZINC000782228014 628617331 /nfs/dbraw/zinc/61/73/31/628617331.db2.gz CPZOAAJGBKGEDR-OAHLLOKOSA-N 0 0 291.391 2.689 20 10 CFCDRN Cc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)c(O)c1O ZINC000782840567 628660147 /nfs/dbraw/zinc/66/01/47/628660147.db2.gz RCPLAFJKZBLAEO-UHFFFAOYSA-N 0 0 298.342 2.932 20 10 CFCDRN CC1(C)CCC[C@](O)(CNC(=O)C2=CC(=O)CS2)C1 ZINC000783935557 628756173 /nfs/dbraw/zinc/75/61/73/628756173.db2.gz CNRWJFBHXJAYLX-CQSZACIVSA-N 0 0 283.393 2.515 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCOC(C)C ZINC000784005591 628761174 /nfs/dbraw/zinc/76/11/74/628761174.db2.gz OZNXUVYMTNRLMQ-UHFFFAOYSA-N 0 0 292.423 2.882 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CO[C@@H](C)C2)cc1 ZINC000784072449 628772270 /nfs/dbraw/zinc/77/22/70/628772270.db2.gz NWCZGWXEEOUTIE-DZGCQCFKSA-N 0 0 290.407 2.574 20 10 CFCDRN CC(C)[C@H](F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000784165366 628787242 /nfs/dbraw/zinc/78/72/42/628787242.db2.gz VUVWUCTZUOYAOQ-RISCZKNCSA-N 0 0 266.360 2.924 20 10 CFCDRN CC(C)[C@@H](F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000784165367 628787413 /nfs/dbraw/zinc/78/74/13/628787413.db2.gz VUVWUCTZUOYAOQ-SMDDNHRTSA-N 0 0 266.360 2.924 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000784615467 628831109 /nfs/dbraw/zinc/83/11/09/628831109.db2.gz IEEJAPDEYZRBID-GFCCVEGCSA-N 0 0 282.365 2.676 20 10 CFCDRN CC1(C)CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784786740 628842336 /nfs/dbraw/zinc/84/23/36/628842336.db2.gz FJHXMVKYETZACV-NSHDSACASA-N 0 0 292.331 2.650 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCC(=O)c2ccccc21 ZINC000786394562 628953536 /nfs/dbraw/zinc/95/35/36/628953536.db2.gz VMYOPNXYLPSKRO-OAHLLOKOSA-N 0 0 295.338 2.769 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCSC2)cc1OC ZINC000787269524 629003077 /nfs/dbraw/zinc/00/30/77/629003077.db2.gz CXXWMIKIFGTAOC-LLVKDONJSA-N 0 0 267.394 2.893 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(C)(C)O2)c1 ZINC000787443924 629013708 /nfs/dbraw/zinc/01/37/08/629013708.db2.gz DJDXHIAJLKDNLU-IINYFYTJSA-N 0 0 293.363 2.536 20 10 CFCDRN CCCC(C)(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000787451895 629013938 /nfs/dbraw/zinc/01/39/38/629013938.db2.gz ZWOCRMBEYNRPHU-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000805864261 629061267 /nfs/dbraw/zinc/06/12/67/629061267.db2.gz ITENROJQGGNADW-SWLSCSKDSA-N 0 0 287.407 2.667 20 10 CFCDRN C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788592767 629084717 /nfs/dbraw/zinc/08/47/17/629084717.db2.gz MOVOEGBGGNPHQV-SECBINFHSA-N 0 0 289.297 2.977 20 10 CFCDRN CCn1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1=O ZINC000788609394 629086662 /nfs/dbraw/zinc/08/66/62/629086662.db2.gz VCDPHWFAXCZLFE-NSHDSACASA-N 0 0 290.338 2.564 20 10 CFCDRN Cc1ccc(O)c(CNc2cnc(C3CC3)nc2)c1 ZINC000788864797 629105479 /nfs/dbraw/zinc/10/54/79/629105479.db2.gz BTNOOFUBIOOGKT-UHFFFAOYSA-N 0 0 255.321 2.980 20 10 CFCDRN O=C(NCC(F)(F)c1ccccc1)C1=CC(=O)CS1 ZINC000789914779 629196807 /nfs/dbraw/zinc/19/68/07/629196807.db2.gz RTBLMXNHIYMMGK-UHFFFAOYSA-N 0 0 283.299 2.976 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCC=C(C)C)c1 ZINC000790357130 629234603 /nfs/dbraw/zinc/23/46/03/629234603.db2.gz BOYAOWSSOXYEJD-UHFFFAOYSA-N 0 0 278.352 2.556 20 10 CFCDRN COC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000790470962 629241085 /nfs/dbraw/zinc/24/10/85/629241085.db2.gz OHTUHWFJWYFISF-UHFFFAOYSA-N 0 0 262.353 2.875 20 10 CFCDRN C[C@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000790576530 629249463 /nfs/dbraw/zinc/24/94/63/629249463.db2.gz KCKXVNUKAZJRJY-SNVBAGLBSA-N 0 0 289.306 2.770 20 10 CFCDRN Cc1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 ZINC000790652274 629255509 /nfs/dbraw/zinc/25/55/09/629255509.db2.gz PBESYLSITIEBJJ-UHFFFAOYSA-N 0 0 283.327 2.605 20 10 CFCDRN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC000790704247 629258100 /nfs/dbraw/zinc/25/81/00/629258100.db2.gz OJKQQRRIOZLHBU-ZUZCIYMTSA-N 0 0 283.327 2.761 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1c1cccc(F)c1 ZINC000790809817 629265751 /nfs/dbraw/zinc/26/57/51/629265751.db2.gz ZTCOPEAGAGMGJM-CYBMUJFWSA-N 0 0 287.290 2.824 20 10 CFCDRN CCN1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946700 629272968 /nfs/dbraw/zinc/27/29/68/629272968.db2.gz GZZVTSHHDASFFJ-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958789 629273947 /nfs/dbraw/zinc/27/39/47/629273947.db2.gz NVFJJQSNEBEFSW-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN Cc1ccc(-c2cc(NC(=O)c3cccc(O)c3O)[nH]n2)o1 ZINC000790965386 629275135 /nfs/dbraw/zinc/27/51/35/629275135.db2.gz NJIAHQLKPUYDGH-UHFFFAOYSA-N 0 0 299.286 2.642 20 10 CFCDRN COC(=O)CC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790970836 629275688 /nfs/dbraw/zinc/27/56/88/629275688.db2.gz IYOJNCMZAHCCCT-UHFFFAOYSA-N 0 0 289.734 2.616 20 10 CFCDRN CC[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835024929 629320737 /nfs/dbraw/zinc/32/07/37/629320737.db2.gz DQCHYZGLBONYAZ-RTRPANQVSA-N 0 0 274.408 2.877 20 10 CFCDRN CN(C)c1ccc(/C=C\CNCc2ccon2)cc1 ZINC000835041715 629334996 /nfs/dbraw/zinc/33/49/96/629334996.db2.gz DJRFFIKQQHPNEZ-ARJAWSKDSA-N 0 0 257.337 2.544 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000835044329 629340543 /nfs/dbraw/zinc/34/05/43/629340543.db2.gz AFWAODPRICASCK-OAJJDEHYSA-N 0 0 286.419 2.877 20 10 CFCDRN C[C@H](O)CN(C/C=C/c1ccc(N(C)C)cc1)CC(F)F ZINC000835054248 629357697 /nfs/dbraw/zinc/35/76/97/629357697.db2.gz IABHKOWLFRIKRS-IHVVCDCBSA-N 0 0 298.377 2.714 20 10 CFCDRN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000792060927 629394304 /nfs/dbraw/zinc/39/43/04/629394304.db2.gz ZARAIDNAFOYQHX-BETUJISGSA-N 0 0 287.407 2.761 20 10 CFCDRN Cc1cc2n[nH]cc2cc1NC(=O)C1=CC(=O)CS1 ZINC000792513573 629429588 /nfs/dbraw/zinc/42/95/88/629429588.db2.gz PIFRLPCOURXVBB-UHFFFAOYSA-N 0 0 273.317 2.891 20 10 CFCDRN CC(C)Cc1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000792681419 629444297 /nfs/dbraw/zinc/44/42/97/629444297.db2.gz FSTCCQONCKMVLJ-UHFFFAOYSA-N 0 0 277.349 2.695 20 10 CFCDRN CCC[C@@H](CC)NC(=O)NCc1ccc(OC)cc1O ZINC000792866096 629459277 /nfs/dbraw/zinc/45/92/77/629459277.db2.gz WWFBPJMPYNZUDE-GFCCVEGCSA-N 0 0 280.368 2.779 20 10 CFCDRN C[C@@H]1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000792953426 629470222 /nfs/dbraw/zinc/47/02/22/629470222.db2.gz TXWLZBLMILNIDU-VXGBXAGGSA-N 0 0 262.353 2.628 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C2)c(O)c1 ZINC000793032118 629477915 /nfs/dbraw/zinc/47/79/15/629477915.db2.gz SLIANRVGLRKJJM-GFCCVEGCSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000793346212 629529738 /nfs/dbraw/zinc/52/97/38/629529738.db2.gz GXEXWVRTPGJEBR-MNOVXSKESA-N 0 0 294.351 2.835 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCC2(C)C)cc1F ZINC000806019571 629555940 /nfs/dbraw/zinc/55/59/40/629555940.db2.gz AZJRARFAYAQXEC-AWEZNQCLSA-N 0 0 293.386 2.880 20 10 CFCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793514572 629558797 /nfs/dbraw/zinc/55/87/97/629558797.db2.gz KWIFSJHFWKHYKD-LRDDRELGSA-N 0 0 292.423 2.738 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC2(C)C)c1 ZINC000806022516 629581644 /nfs/dbraw/zinc/58/16/44/629581644.db2.gz XQMQSFLEFRLZIQ-HZMBPMFUSA-N 0 0 292.379 2.950 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC(F)F)c1 ZINC000793689881 629586095 /nfs/dbraw/zinc/58/60/95/629586095.db2.gz PIOIMNGGNSLBMH-QMMMGPOBSA-N 0 0 273.279 2.623 20 10 CFCDRN CCc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794377950 629641334 /nfs/dbraw/zinc/64/13/34/629641334.db2.gz BBXYDEVVOONMLJ-UHFFFAOYSA-N 0 0 285.343 2.893 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)c2ccccc2)c(O)c1 ZINC000794378235 629641409 /nfs/dbraw/zinc/64/14/09/629641409.db2.gz YZFLUENOETWCPV-GFCCVEGCSA-N 0 0 285.343 2.821 20 10 CFCDRN O=C(c1cccc(O)c1O)N(CC1CC1)C1CCC1 ZINC000794390667 629642632 /nfs/dbraw/zinc/64/26/32/629642632.db2.gz BITDJFPEDQKGQW-UHFFFAOYSA-N 0 0 261.321 2.503 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(C)ccc2F)c(O)c1 ZINC000794387441 629642720 /nfs/dbraw/zinc/64/27/20/629642720.db2.gz IBEQRMOUXQJYDQ-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(F)ccc2F)c(O)c1 ZINC000794387880 629642941 /nfs/dbraw/zinc/64/29/41/629642941.db2.gz OCPSTBSSJJKEKB-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCCOC(C)(C)C)cc1 ZINC000794618321 629668638 /nfs/dbraw/zinc/66/86/38/629668638.db2.gz FSCAXEWSTDRKHX-UHFFFAOYSA-N 0 0 292.423 2.964 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2[C@H](C)C[C@@H]2C)cc1OC ZINC000795195757 629743721 /nfs/dbraw/zinc/74/37/21/629743721.db2.gz YTWAVBUXBRQOLT-DTORHVGOSA-N 0 0 266.297 2.599 20 10 CFCDRN COc1cccc(OC)c1CNCc1ccc2c(c1)CCO2 ZINC000796282200 629900111 /nfs/dbraw/zinc/90/01/11/629900111.db2.gz BLOHXJXMIGPZBF-UHFFFAOYSA-N 0 0 299.370 2.929 20 10 CFCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796497279 629926106 /nfs/dbraw/zinc/92/61/06/629926106.db2.gz IMVLCMXJWHVNMD-VHSXEESVSA-N 0 0 287.762 2.947 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000796504757 629927166 /nfs/dbraw/zinc/92/71/66/629927166.db2.gz XQJYRXKUDWZSGV-UHFFFAOYSA-N 0 0 285.391 2.882 20 10 CFCDRN COc1ccc(N(CCC(C)C)Cc2cn(C)nn2)cc1 ZINC000796506243 629927608 /nfs/dbraw/zinc/92/76/08/629927608.db2.gz WMDDAGXFXAYMEM-UHFFFAOYSA-N 0 0 288.395 2.876 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000796681435 629949547 /nfs/dbraw/zinc/94/95/47/629949547.db2.gz FIAVONJEFGOTST-GXTWGEPZSA-N 0 0 279.311 2.899 20 10 CFCDRN CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000796748433 629959325 /nfs/dbraw/zinc/95/93/25/629959325.db2.gz XISHTLQHTYGMBQ-HNNXBMFYSA-N 0 0 291.370 2.938 20 10 CFCDRN CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796779923 629965047 /nfs/dbraw/zinc/96/50/47/629965047.db2.gz OWMVAVZWHUBWIC-DOMZBBRYSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000796781671 629965056 /nfs/dbraw/zinc/96/50/56/629965056.db2.gz NBPONDDTMVJSBD-GXFFZTMASA-N 0 0 255.333 2.591 20 10 CFCDRN CC(C)(F)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000852552753 634778111 /nfs/dbraw/zinc/77/81/11/634778111.db2.gz DZFUNBVPJJXRKN-UHFFFAOYSA-N 0 0 288.750 2.983 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000796853721 629979772 /nfs/dbraw/zinc/97/97/72/629979772.db2.gz PZEHMEYHRVYRAX-CYBMUJFWSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796937921 629991596 /nfs/dbraw/zinc/99/15/96/629991596.db2.gz QRHSTFUAMMKKAN-FZMZJTMJSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(F)cc1[O-] ZINC000796960006 629995723 /nfs/dbraw/zinc/99/57/23/629995723.db2.gz AVVSMUWJRYPEGH-MMWSSPAHSA-N 0 0 267.344 2.733 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000797577878 630083334 /nfs/dbraw/zinc/08/33/34/630083334.db2.gz PZNJQYDOBBTLDU-QCZZGDTMSA-N 0 0 290.363 2.560 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000797577876 630083347 /nfs/dbraw/zinc/08/33/47/630083347.db2.gz PZNJQYDOBBTLDU-BIGNPOOSSA-N 0 0 290.363 2.560 20 10 CFCDRN CC(=O)C(=O)COC(=O)CCCCCc1ccc(F)cc1 ZINC000808539147 630098005 /nfs/dbraw/zinc/09/80/05/630098005.db2.gz SYMXFAOOMJABCJ-UHFFFAOYSA-N 0 0 294.322 2.630 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCC(F)(F)C2)c1 ZINC000797941770 630128115 /nfs/dbraw/zinc/12/81/15/630128115.db2.gz BIKSPDXXJKEDKI-JTQLQIEISA-N 0 0 299.317 2.843 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCF ZINC000798059243 630145156 /nfs/dbraw/zinc/14/51/56/630145156.db2.gz DKERHWSWBWTHQA-UHFFFAOYSA-N 0 0 266.341 2.855 20 10 CFCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000798218663 630167898 /nfs/dbraw/zinc/16/78/98/630167898.db2.gz MIZTVKRSSLLWAY-UTCJRWHESA-N 0 0 293.729 2.889 20 10 CFCDRN C[C@H](O)CCSc1ncc(-c2ccccc2)n1C ZINC000798235749 630170531 /nfs/dbraw/zinc/17/05/31/630170531.db2.gz ILQFWQUZQLODQF-NSHDSACASA-N 0 0 262.378 2.950 20 10 CFCDRN CCN(CC1(CC(=O)OC)CC1)c1ccc(OC)cc1 ZINC000799307943 630295379 /nfs/dbraw/zinc/29/53/79/630295379.db2.gz XPHOYDNMJBCXAB-UHFFFAOYSA-N 0 0 277.364 2.865 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800530822 630394046 /nfs/dbraw/zinc/39/40/46/630394046.db2.gz 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RATNZYODLQUSGH-UHFFFAOYSA-N 0 0 288.347 2.682 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H](C)C(=O)[O-] ZINC000852738098 634818459 /nfs/dbraw/zinc/81/84/59/634818459.db2.gz ZGIKXHLZPXQGTB-QMMMGPOBSA-N 0 0 299.754 2.543 20 10 CFCDRN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803120400 630585419 /nfs/dbraw/zinc/58/54/19/630585419.db2.gz HHVCLYYVCRZSTL-MAZHCROVSA-N 0 0 290.407 2.745 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843107011 630666965 /nfs/dbraw/zinc/66/69/65/630666965.db2.gz OQFIRVFNYYIFMV-AOOOYVTPSA-N 0 0 284.762 2.511 20 10 CFCDRN COc1cccc(CNc2cc3cc[nH]c3cn2)c1O ZINC000804424099 630680718 /nfs/dbraw/zinc/68/07/18/630680718.db2.gz FELAFASDIFMYSD-UHFFFAOYSA-N 0 0 269.304 2.889 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccon2)s1 ZINC000804579236 630758280 /nfs/dbraw/zinc/75/82/80/630758280.db2.gz VWUHDCQYWQOJOA-UHFFFAOYSA-N 0 0 288.332 2.535 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000836244992 630779114 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WJYCPFMCEVRAGK-WDMOLILDSA-N 0 0 296.367 2.748 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(Cl)c1[O-] ZINC000846193535 632659124 /nfs/dbraw/zinc/65/91/24/632659124.db2.gz NHGQFOOGJKKLBI-UKRRQHHQSA-N 0 0 299.798 2.628 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846204505 632659368 /nfs/dbraw/zinc/65/93/68/632659368.db2.gz MJYLTDWZLOFMHP-GHMZBOCLSA-N 0 0 294.351 2.766 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000846204724 632659774 /nfs/dbraw/zinc/65/97/74/632659774.db2.gz AZOOAZGFSINRFA-NSHDSACASA-N 0 0 296.798 2.627 20 10 CFCDRN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(Cl)cc1[O-] ZINC000846214859 632662512 /nfs/dbraw/zinc/66/25/12/632662512.db2.gz WZNVDIXEZFFTKA-NHYWBVRUSA-N 0 0 299.798 2.628 20 10 CFCDRN CC[C@H]([NH2+]C1CCN(OC)CC1)c1ccc(F)cc1[O-] ZINC000817589137 632671972 /nfs/dbraw/zinc/67/19/72/632671972.db2.gz UQJVBXVXXYFXQC-AWEZNQCLSA-N 0 0 282.359 2.598 20 10 CFCDRN Cc1cc(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccc1N(C)C ZINC000846276538 632681585 /nfs/dbraw/zinc/68/15/85/632681585.db2.gz VEXFMMRCCBRJJM-CYBMUJFWSA-N 0 0 290.407 2.746 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846280617 632682176 /nfs/dbraw/zinc/68/21/76/632682176.db2.gz OBYTZDRRLCOVGF-XJKSGUPXSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1N(C)C ZINC000846282192 632683686 /nfs/dbraw/zinc/68/36/86/632683686.db2.gz WOKGAHFYWYQBLN-ZFWWWQNUSA-N 0 0 290.407 2.604 20 10 CFCDRN CN(C(=O)C1=CC(=O)CS1)C1CC(OC(C)(C)C)C1 ZINC000817770631 632710065 /nfs/dbraw/zinc/71/00/65/632710065.db2.gz ZGFAZJMGOFQUIC-UHFFFAOYSA-N 0 0 283.393 2.872 20 10 CFCDRN O=C(CC[C@H]1CCCO1)NCc1cc(Cl)ccc1O ZINC000846473751 632715177 /nfs/dbraw/zinc/71/51/77/632715177.db2.gz WGDRTPNCWGTJRR-GFCCVEGCSA-N 0 0 283.755 2.621 20 10 CFCDRN Cc1cc(O)c(CN2CCC3(CC[NH2+]3)CC2)c(Cl)c1 ZINC000817865886 632715424 /nfs/dbraw/zinc/71/54/24/632715424.db2.gz OBGMNDMZKDRJLY-UHFFFAOYSA-N 0 0 280.799 2.682 20 10 CFCDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475479 632716457 /nfs/dbraw/zinc/71/64/57/632716457.db2.gz HOJGJIXBSCPLLK-NOZJJQNGSA-N 0 0 295.766 2.667 20 10 CFCDRN CC1(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474629 632716494 /nfs/dbraw/zinc/71/64/94/632716494.db2.gz XNCRWLSIZFLAHQ-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000846477993 632717931 /nfs/dbraw/zinc/71/79/31/632717931.db2.gz YRZXDANGWGEROD-LURJTMIESA-N 0 0 281.661 2.860 20 10 CFCDRN O=C(CC1CCC1)NCc1cc(Cl)ccc1O ZINC000846478103 632718353 /nfs/dbraw/zinc/71/83/53/632718353.db2.gz ZNASUFHVBKTMFT-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN CC[C@H]([NH2+]CCNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951201 632751486 /nfs/dbraw/zinc/75/14/86/632751486.db2.gz BGWUDQHOMWGRMW-NSHDSACASA-N 0 0 277.195 2.959 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000846665953 632768572 /nfs/dbraw/zinc/76/85/72/632768572.db2.gz PDWHBGWWQYXQMW-HOTGVXAUSA-N 0 0 272.392 2.754 20 10 CFCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1c(C)noc1C ZINC000846903389 632840414 /nfs/dbraw/zinc/84/04/14/632840414.db2.gz YXHLQOMGFKIPTM-NTMALXAHSA-N 0 0 271.320 2.753 20 10 CFCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000818546126 632863706 /nfs/dbraw/zinc/86/37/06/632863706.db2.gz UXBFUKNLIMHGIK-LLVKDONJSA-N 0 0 274.389 2.793 20 10 CFCDRN Nc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 ZINC000818556391 632865464 /nfs/dbraw/zinc/86/54/64/632865464.db2.gz QVVGUOBNVAPRBR-LLVKDONJSA-N 0 0 289.360 2.829 20 10 CFCDRN CC(C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991698 632871187 /nfs/dbraw/zinc/87/11/87/632871187.db2.gz KNZSXMPXDLKHAI-UHFFFAOYSA-N 0 0 289.404 2.771 20 10 CFCDRN CC(C)(CC[NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000818629220 632883621 /nfs/dbraw/zinc/88/36/21/632883621.db2.gz VZXKLISJCKKVFJ-UHFFFAOYSA-N 0 0 271.744 2.636 20 10 CFCDRN CCOc1cccc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1O ZINC000818630617 632884732 /nfs/dbraw/zinc/88/47/32/632884732.db2.gz QZJKAPIZBLIRCW-ZDUSSCGKSA-N 0 0 295.379 2.627 20 10 CFCDRN CCCCOC(=O)C(C)(C)NCc1ccc(N(C)C)cc1 ZINC000847056648 632905843 /nfs/dbraw/zinc/90/58/43/632905843.db2.gz CPUMGTXHKITXNZ-UHFFFAOYSA-N 0 0 292.423 2.964 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C ZINC000840368383 632909443 /nfs/dbraw/zinc/90/94/43/632909443.db2.gz OGJMHNQYUMWJJI-XJKCOSOUSA-N 0 0 289.423 2.700 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1 ZINC000847074331 632911750 /nfs/dbraw/zinc/91/17/50/632911750.db2.gz AJTAWXCKKXMTJS-DZGCQCFKSA-N 0 0 294.351 2.738 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cccnc21 ZINC000847145319 632936791 /nfs/dbraw/zinc/93/67/91/632936791.db2.gz XHJHBRWMEZUELR-VOTSOKGWSA-N 0 0 285.372 2.839 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCCCO1 ZINC000847301390 632969897 /nfs/dbraw/zinc/96/98/97/632969897.db2.gz AGIGNAZCPPBYGQ-DZGCQCFKSA-N 0 0 292.379 2.539 20 10 CFCDRN CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC=CC1 ZINC000847323399 632973257 /nfs/dbraw/zinc/97/32/57/632973257.db2.gz GMKBWFWNPWVSST-UHFFFAOYSA-N 0 0 297.402 2.971 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000819162496 632991664 /nfs/dbraw/zinc/99/16/64/632991664.db2.gz BTUWGCOHDNXQIP-LSDHHAIUSA-N 0 0 290.407 2.876 20 10 CFCDRN CC(C)[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000819164182 632992982 /nfs/dbraw/zinc/99/29/82/632992982.db2.gz PSJZEAWMCXMCBS-DOMZBBRYSA-N 0 0 278.396 2.588 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCCC2(C)C)c(O)c1O ZINC000819180892 633002159 /nfs/dbraw/zinc/00/21/59/633002159.db2.gz GNCSMRUUGWRBGA-NSHDSACASA-N 0 0 277.364 2.962 20 10 CFCDRN CCOc1ccccc1NC[C@@H](O)CCOC(C)C ZINC000819392477 633145284 /nfs/dbraw/zinc/14/52/84/633145284.db2.gz DNKLTSDAFGWOAL-ZDUSSCGKSA-N 0 0 267.369 2.673 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)CSC ZINC000819399755 633149033 /nfs/dbraw/zinc/14/90/33/633149033.db2.gz WRFQSUGABBSMSW-NSHDSACASA-N 0 0 255.383 2.611 20 10 CFCDRN CC[C@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819427638 633159454 /nfs/dbraw/zinc/15/94/54/633159454.db2.gz ULKFULYEAAIOFX-KBPBESRZSA-N 0 0 279.380 2.817 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000857061269 635921719 /nfs/dbraw/zinc/92/17/19/635921719.db2.gz NIRUCONCBWIKLF-ONGXEEELSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1CO ZINC000857061555 635922195 /nfs/dbraw/zinc/92/21/95/635922195.db2.gz RYJJRPYCEYLHMU-GXSJLCMTSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000857079858 635926823 /nfs/dbraw/zinc/92/68/23/635926823.db2.gz AMAQNIHBDLOANH-IUCAKERBSA-N 0 0 286.278 2.996 20 10 CFCDRN CCCN(C(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000848291889 633235311 /nfs/dbraw/zinc/23/53/11/633235311.db2.gz GOIPGOQELZGZNO-UHFFFAOYSA-N 0 0 251.326 2.667 20 10 CFCDRN COC[C@@H](CC(C)(C)C)NC(=O)C1=CC(=O)CS1 ZINC000848391313 633247375 /nfs/dbraw/zinc/24/73/75/633247375.db2.gz DINMCGIGGDZMFC-SECBINFHSA-N 0 0 271.382 2.635 20 10 CFCDRN CCCCCCOCC(=O)N(C)Cc1ccccc1O ZINC000107763572 633316369 /nfs/dbraw/zinc/31/63/69/633316369.db2.gz GEIVIPZJDJGPHD-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN CCOC(=O)[C@H](C)N(Cc1cccc(CC)c1O)C1CC1 ZINC000848905501 633391953 /nfs/dbraw/zinc/39/19/53/633391953.db2.gz ITWCWOLQNPEBEB-LBPRGKRZSA-N 0 0 291.391 2.871 20 10 CFCDRN COc1ccc2c(c1)CN(Cc1cc(OC)ccc1O)C2 ZINC000848925939 633408989 /nfs/dbraw/zinc/40/89/89/633408989.db2.gz NXFQRZMUKRHHBP-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN CN(C)c1ccc(CNc2nnc(C3CC3)n2C)cc1F ZINC000849346826 633624897 /nfs/dbraw/zinc/62/48/97/633624897.db2.gz CLRYLKVICKSHSA-UHFFFAOYSA-N 0 0 289.358 2.510 20 10 CFCDRN Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC000849351845 633627166 /nfs/dbraw/zinc/62/71/66/633627166.db2.gz CNJFZURJLBBTTA-OAHLLOKOSA-N 0 0 272.323 2.891 20 10 CFCDRN C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000108943100 633745145 /nfs/dbraw/zinc/74/51/45/633745145.db2.gz NHXVKFZEZTVEFL-QMMMGPOBSA-N 0 0 281.249 2.761 20 10 CFCDRN CCOC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999747 633786464 /nfs/dbraw/zinc/78/64/64/633786464.db2.gz XCLCFWKHZJBJQQ-RXMQYKEDSA-N 0 0 251.760 2.840 20 10 CFCDRN NC(=O)CCCCSc1ncc(Cl)s1 ZINC000849998671 633786736 /nfs/dbraw/zinc/78/67/36/633786736.db2.gz HVWPGYXTYNMBNV-UHFFFAOYSA-N 0 0 250.776 2.544 20 10 CFCDRN COC(=O)C1(CSc2ncc(Cl)s2)CC1 ZINC000850000267 633787075 /nfs/dbraw/zinc/78/70/75/633787075.db2.gz OIAFYJUNHDOWPT-UHFFFAOYSA-N 0 0 263.771 2.842 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1cn(C2CCC2)nn1 ZINC000850138022 633853037 /nfs/dbraw/zinc/85/30/37/633853037.db2.gz XNEHCEDESFTAMI-UHFFFAOYSA-N 0 0 299.422 2.667 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1cccc(C2CCCC2)c1 ZINC000850222632 633901676 /nfs/dbraw/zinc/90/16/76/633901676.db2.gz KXFMZAWDWJUWMN-UHFFFAOYSA-N 0 0 274.316 2.659 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850385740 633969544 /nfs/dbraw/zinc/96/95/44/633969544.db2.gz BAPFDTSKAATXEY-UHFFFAOYSA-N 0 0 299.773 2.825 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388082 633972188 /nfs/dbraw/zinc/97/21/88/633972188.db2.gz GYEZKGAOFCWDFT-NEPJUHHUSA-N 0 0 285.746 2.578 20 10 CFCDRN CCn1ccc(CNCc2cc(F)c(N(C)C)cc2F)n1 ZINC000858178161 636148808 /nfs/dbraw/zinc/14/88/08/636148808.db2.gz WDKSGBFTAQYWNL-UHFFFAOYSA-N 0 0 294.349 2.537 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850482661 634012180 /nfs/dbraw/zinc/01/21/80/634012180.db2.gz QNHNCJWUIWVATI-ZJUUUORDSA-N 0 0 280.324 2.519 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000850484553 634013683 /nfs/dbraw/zinc/01/36/83/634013683.db2.gz LBOCKUDVCZWQFL-HZUKXOBISA-N 0 0 297.370 2.624 20 10 CFCDRN COC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000850486013 634014527 /nfs/dbraw/zinc/01/45/27/634014527.db2.gz QJBBTVXKFJQUQG-PWSUYJOCSA-N 0 0 287.787 2.748 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000850492786 634016720 /nfs/dbraw/zinc/01/67/20/634016720.db2.gz DKBVKLPQRUKFOJ-NHYWBVRUSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H]([NH2+]C/C=C/CO)c1cccc(C(F)(F)F)c1[O-] ZINC000850509077 634023672 /nfs/dbraw/zinc/02/36/72/634023672.db2.gz PBJQXBAPFDWJCN-HPOULIHZSA-N 0 0 275.270 2.610 20 10 CFCDRN CC[C@@H]([NH2+]C/C=C\CO)c1cccc(Cl)c1[O-] ZINC000850510505 634024148 /nfs/dbraw/zinc/02/41/48/634024148.db2.gz XOMLTOJZTABUFU-VSQXVHSFSA-N 0 0 255.745 2.635 20 10 CFCDRN CC[C@H]([NH2+]Cc1cn(CC)nn1)c1cccc(Cl)c1[O-] ZINC000850522078 634030164 /nfs/dbraw/zinc/03/01/64/634030164.db2.gz AUUHYGSBNQZRJR-ZDUSSCGKSA-N 0 0 294.786 2.898 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000850537313 634042560 /nfs/dbraw/zinc/04/25/60/634042560.db2.gz SVNJIQIWWARGSN-OTYXRUKQSA-N 0 0 299.317 2.875 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(Cl)cc1[O-] ZINC000850545448 634045675 /nfs/dbraw/zinc/04/56/75/634045675.db2.gz GXWRGDQUEHGKAW-FZZIBODNSA-N 0 0 281.783 3.000 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545478 634046646 /nfs/dbraw/zinc/04/66/46/634046646.db2.gz OWDMIXSEAFQYFU-PWSUYJOCSA-N 0 0 267.344 2.591 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)Cc1ccc(N)cc1 ZINC000852918341 634860700 /nfs/dbraw/zinc/86/07/00/634860700.db2.gz YQXCJSSKEVZRAA-UHFFFAOYSA-N 0 0 270.323 2.609 20 10 CFCDRN Cc1cc(CC(=O)O[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853103243 634905931 /nfs/dbraw/zinc/90/59/31/634905931.db2.gz KMBYRLMXGRUXAE-KRWDZBQOSA-N 0 0 299.370 2.969 20 10 CFCDRN CN(C)c1ccc(CN(c2cc(F)ncn2)C2CC2)cc1 ZINC000853208312 634934989 /nfs/dbraw/zinc/93/49/89/634934989.db2.gz FEVSBDIYXNXXRD-UHFFFAOYSA-N 0 0 286.354 2.851 20 10 CFCDRN Cc1cc(C(=O)CN(C)Cc2ccccc2O)c(C)[nH]1 ZINC000111235901 634963073 /nfs/dbraw/zinc/96/30/73/634963073.db2.gz FUDJBCPXZQDRTA-UHFFFAOYSA-N 0 0 272.348 2.652 20 10 CFCDRN CN(Cc1ccccc1O)Cc1nc(N)c2ccccc2n1 ZINC000111236460 634963265 /nfs/dbraw/zinc/96/32/65/634963265.db2.gz SAMPOSOLWJLJBE-UHFFFAOYSA-N 0 0 294.358 2.550 20 10 CFCDRN CC12CC(C1)CN2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000853411022 634996444 /nfs/dbraw/zinc/99/64/44/634996444.db2.gz ABNATMAEWROTRA-UHFFFAOYSA-N 0 0 299.418 2.981 20 10 CFCDRN 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CFCDRN CCn1ncc(NCc2c(O)cccc2OC)c1C ZINC000873195757 642060567 /nfs/dbraw/zinc/06/05/67/642060567.db2.gz JPWXFYWWZLTWKS-UHFFFAOYSA-N 0 0 261.325 2.538 20 10 CFCDRN CCOc1ccc(CNc2cnn(CC)c2C)c(O)c1 ZINC000873196652 642060823 /nfs/dbraw/zinc/06/08/23/642060823.db2.gz XDLHLRCTEIKXNM-UHFFFAOYSA-N 0 0 275.352 2.928 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230940 642083978 /nfs/dbraw/zinc/08/39/78/642083978.db2.gz AJPNXAWPCIADLU-JSGCOSHPSA-N 0 0 284.762 2.559 20 10 CFCDRN CC(C)[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873961601 642312309 /nfs/dbraw/zinc/31/23/09/642312309.db2.gz ABMKETBECOUXMP-JTQLQIEISA-N 0 0 276.340 2.966 20 10 CFCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874182420 642349473 /nfs/dbraw/zinc/34/94/73/642349473.db2.gz YIPLECNGPXJLAL-SECBINFHSA-N 0 0 274.324 2.625 20 10 CFCDRN CCCN(CC(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874257577 642358864 /nfs/dbraw/zinc/35/88/64/642358864.db2.gz FISMKWYXVPXQPG-UHFFFAOYSA-N 0 0 298.293 2.966 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCCc3cccc(F)c32)cn1 ZINC000874973778 642570086 /nfs/dbraw/zinc/57/00/86/642570086.db2.gz XPOCJDFSKGHIAC-BQYQJAHWSA-N 0 0 285.322 2.552 20 10 CFCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccnc1 ZINC000875012338 642576738 /nfs/dbraw/zinc/57/67/38/642576738.db2.gz KFCJOVORXDRHNH-VXGBXAGGSA-N 0 0 285.347 2.909 20 10 CFCDRN O=C(NCCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875084914 642583130 /nfs/dbraw/zinc/58/31/30/642583130.db2.gz OOYFBGLORKIHIQ-UHFFFAOYSA-N 0 0 274.364 2.998 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CCCSC1)c1ccccc1O ZINC000875345938 642611415 /nfs/dbraw/zinc/61/14/15/642611415.db2.gz XFIHRMASBNSHLJ-WDEREUQCSA-N 0 0 280.393 2.648 20 10 CFCDRN CC1(C)CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875442994 642622976 /nfs/dbraw/zinc/62/29/76/642622976.db2.gz BIFGAWKPEDXDJR-GFCCVEGCSA-N 0 0 274.364 2.996 20 10 CFCDRN C[C@H]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875518832 642633624 /nfs/dbraw/zinc/63/36/24/642633624.db2.gz RERFZRJBCLAPHN-CMPLNLGQSA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)F ZINC000875688581 642665954 /nfs/dbraw/zinc/66/59/54/642665954.db2.gz OJKDOWVJYKNPFZ-SECBINFHSA-N 0 0 284.306 2.709 20 10 CFCDRN CC[C@H](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875727528 642674955 /nfs/dbraw/zinc/67/49/55/642674955.db2.gz IHMLBGJNPTVAMA-NSHDSACASA-N 0 0 262.353 2.854 20 10 CFCDRN CC1(C)CC(NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875753661 642679422 /nfs/dbraw/zinc/67/94/22/642679422.db2.gz RMQNTCVDXISQFU-UHFFFAOYSA-N 0 0 260.337 2.606 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000875769524 642685436 /nfs/dbraw/zinc/68/54/36/642685436.db2.gz RJYSVOQGLVIMQO-NFAWXSAZSA-N 0 0 288.391 2.970 20 10 CFCDRN CCC[C@@H](CNC(=O)N(C)Cc1ccccc1O)OCC ZINC000875782083 642689558 /nfs/dbraw/zinc/68/95/58/642689558.db2.gz JKKSNNNSZYQQEH-AWEZNQCLSA-N 0 0 294.395 2.739 20 10 CFCDRN O=C(NC[C@@H]1CCCC12CC2)N1Cc2cccc(O)c2C1 ZINC000875915706 642714749 /nfs/dbraw/zinc/71/47/49/642714749.db2.gz QOTQVTOKAGKKFT-ZDUSSCGKSA-N 0 0 286.375 2.998 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCC2(CC2)C1 ZINC000888698446 642772556 /nfs/dbraw/zinc/77/25/56/642772556.db2.gz MTVATLOTTVKEPJ-BPJJOFIESA-N 0 0 287.359 2.950 20 10 CFCDRN COc1ccc(N2CCN(C/C=C/Cl)CC2)cc1F ZINC000084963941 650785575 /nfs/dbraw/zinc/78/55/75/650785575.db2.gz WGDZKLRQRKMGCP-GORDUTHDSA-N 0 0 284.762 2.709 20 10 CFCDRN Cc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1 ZINC000085683394 650790132 /nfs/dbraw/zinc/79/01/32/650790132.db2.gz AKUSKOGIWNQNOY-UHFFFAOYSA-N 0 0 291.372 2.685 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000086755448 650797263 /nfs/dbraw/zinc/79/72/63/650797263.db2.gz CYNUWJWQMAWJFL-ZDUSSCGKSA-N 0 0 293.363 2.620 20 10 CFCDRN Nc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000876504661 642897137 /nfs/dbraw/zinc/89/71/37/642897137.db2.gz SDMYHXYHVZNXKT-CQSZACIVSA-N 0 0 274.364 2.947 20 10 CFCDRN Nc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000876504660 642897478 /nfs/dbraw/zinc/89/74/78/642897478.db2.gz SDMYHXYHVZNXKT-AWEZNQCLSA-N 0 0 274.364 2.947 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cc(OC)cnc1F ZINC000876514359 642900923 /nfs/dbraw/zinc/90/09/23/642900923.db2.gz PVZSZOZIIISLDQ-UHFFFAOYSA-N 0 0 288.322 2.801 20 10 CFCDRN Cc1ccc(C(=O)NCCc2ccc(N)cc2)c(C2CC2)n1 ZINC000876527433 642905580 /nfs/dbraw/zinc/90/55/80/642905580.db2.gz FDNSFCHCNDJOMQ-UHFFFAOYSA-N 0 0 295.386 2.822 20 10 CFCDRN COc1cc(C)cc(C(=O)NCCc2ccc(N)cc2)c1C ZINC000876528246 642906179 /nfs/dbraw/zinc/90/61/79/642906179.db2.gz MRWBCLQREOPXHQ-UHFFFAOYSA-N 0 0 298.386 2.867 20 10 CFCDRN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876751073 642994675 /nfs/dbraw/zinc/99/46/75/642994675.db2.gz UGAVRKVZALBVCX-BDAKNGLRSA-N 0 0 273.348 2.996 20 10 CFCDRN [O-]c1c(CN2CCO[C@@H](c3ccco3)C2)ccc(F)c1F ZINC000876790575 643010361 /nfs/dbraw/zinc/01/03/61/643010361.db2.gz PCTQKYDCKQMUIH-CYBMUJFWSA-N 0 0 295.285 2.837 20 10 CFCDRN O=C(NCc1ccccc1Cl)c1cccc(O)c1O ZINC000126206209 643049126 /nfs/dbraw/zinc/04/91/26/643049126.db2.gz RNRVZRAEDLIBQW-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2Cc3ccccc3O2)ccc(F)c1F ZINC000876916182 643063512 /nfs/dbraw/zinc/06/35/12/643063512.db2.gz NFTFGLRODMNUQE-GFCCVEGCSA-N 0 0 291.297 2.764 20 10 CFCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876930344 643068236 /nfs/dbraw/zinc/06/82/36/643068236.db2.gz VROCRQSYSKNZOV-LBPRGKRZSA-N 0 0 293.317 2.571 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCC[C@H](C)C1 ZINC000876932121 643070286 /nfs/dbraw/zinc/07/02/86/643070286.db2.gz DOQSYCGKVIOGCT-NWDGAFQWSA-N 0 0 298.377 2.880 20 10 CFCDRN Cc1cccc(CN(C)C(=O)c2cccc(O)c2O)c1 ZINC000126279932 643089105 /nfs/dbraw/zinc/08/91/05/643089105.db2.gz ALEJCUBAICCOCN-UHFFFAOYSA-N 0 0 271.316 2.678 20 10 CFCDRN Cc1ccc(CN[C@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000877036838 643114841 /nfs/dbraw/zinc/11/48/41/643114841.db2.gz WQZRUGRODYDNOE-CQSZACIVSA-N 0 0 293.313 2.802 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877039633 643115699 /nfs/dbraw/zinc/11/56/99/643115699.db2.gz HTVDMSHSOMDLNH-MRXNPFEDSA-N 0 0 293.313 2.668 20 10 CFCDRN CCCC[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877051297 643122443 /nfs/dbraw/zinc/12/24/43/643122443.db2.gz VCKLDAHZTQULJH-NSHDSACASA-N 0 0 273.323 2.965 20 10 CFCDRN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064918 643130567 /nfs/dbraw/zinc/13/05/67/643130567.db2.gz GFEYFLWJCBMIOL-KOLCDFICSA-N 0 0 273.323 2.557 20 10 CFCDRN CCn1nc(C)c(C(=O)N(C)c2ccc(N)cc2)c1Cl ZINC000877077836 643139138 /nfs/dbraw/zinc/13/91/38/643139138.db2.gz WMZXQWVXBCIMDJ-UHFFFAOYSA-N 0 0 292.770 2.724 20 10 CFCDRN Cc1ccc(N(C)C(=O)c2cccc(O)c2O)cc1 ZINC000126371039 643182902 /nfs/dbraw/zinc/18/29/02/643182902.db2.gz MYXXFFBGHMUGTO-UHFFFAOYSA-N 0 0 257.289 2.683 20 10 CFCDRN COc1cnc(F)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000877179979 643191804 /nfs/dbraw/zinc/19/18/04/643191804.db2.gz MCTNJPOMUZRTLS-UHFFFAOYSA-N 0 0 290.294 2.594 20 10 CFCDRN CC[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126449920 643227710 /nfs/dbraw/zinc/22/77/10/643227710.db2.gz IRVSCBMWORHWJV-QWRGUYRKSA-N 0 0 263.337 2.796 20 10 CFCDRN [O-]c1c(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc(F)c1F ZINC000877306013 643228792 /nfs/dbraw/zinc/22/87/92/643228792.db2.gz CNZRJFAVAKGGER-ZDUSSCGKSA-N 0 0 297.345 2.919 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]2CCC[C@@H]21 ZINC000126453647 643229621 /nfs/dbraw/zinc/22/96/21/643229621.db2.gz FHWKVVJYHLPHLW-PWSUYJOCSA-N 0 0 261.321 2.503 20 10 CFCDRN CC[C@](C)(CN(C)c1ccc(OC)c(OC)c1)OC ZINC000877342351 643242685 /nfs/dbraw/zinc/24/26/85/643242685.db2.gz MFPXGFGWFHRBNI-OAHLLOKOSA-N 0 0 267.369 2.955 20 10 CFCDRN COc1ccc(N(C)CCC[C@@H]2CCO2)cc1OC ZINC000877342533 643242834 /nfs/dbraw/zinc/24/28/34/643242834.db2.gz ONJYMFZWAUUIJA-CYBMUJFWSA-N 0 0 265.353 2.709 20 10 CFCDRN CCCC[C@H](NCc1ccc(C)cc1O)C(=O)OC ZINC000877360712 643247943 /nfs/dbraw/zinc/24/79/43/643247943.db2.gz ZKQGWDXSEUBIAP-ZDUSSCGKSA-N 0 0 265.353 2.522 20 10 CFCDRN CC1(C)CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126498181 643255332 /nfs/dbraw/zinc/25/53/32/643255332.db2.gz RYMQCKVDRLPDKJ-JTQLQIEISA-N 0 0 263.337 2.796 20 10 CFCDRN COC(=O)[C@H](Cc1ccccc1)NCc1ccc(C)cc1O ZINC000877471631 643290633 /nfs/dbraw/zinc/29/06/33/643290633.db2.gz VNJLJJPNHWPJAW-INIZCTEOSA-N 0 0 299.370 2.575 20 10 CFCDRN COCCC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877492356 643306016 /nfs/dbraw/zinc/30/60/16/643306016.db2.gz WQZGEJMFISWIQZ-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877566320 643365457 /nfs/dbraw/zinc/36/54/57/643365457.db2.gz XXGIYBVGWBSXAB-CABZTGNLSA-N 0 0 271.307 2.527 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCSC[C@H]2C2CC2)ccc(F)c1F ZINC000877568401 643367670 /nfs/dbraw/zinc/36/76/70/643367670.db2.gz NCFWTCUTGCJGBG-LBPRGKRZSA-N 0 0 285.359 2.998 20 10 CFCDRN COC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877577109 643374650 /nfs/dbraw/zinc/37/46/50/643374650.db2.gz UKGZWWKIECXJGL-NSHDSACASA-N 0 0 285.334 2.919 20 10 CFCDRN [O-]c1c(CN2CCO[C@@H](C3CCC3)C2)ccc(F)c1F ZINC000877588398 643383026 /nfs/dbraw/zinc/38/30/26/643383026.db2.gz ZXZYSZAMBCSNFH-CYBMUJFWSA-N 0 0 283.318 2.671 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877612047 643398297 /nfs/dbraw/zinc/39/82/97/643398297.db2.gz BQVAGOBFSNIFMD-VXGBXAGGSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877641806 643425553 /nfs/dbraw/zinc/42/55/53/643425553.db2.gz AZSGPRDIHCGAAA-MEBBXXQBSA-N 0 0 293.313 2.882 20 10 CFCDRN Oc1ccc(F)cc1CNc1cnn2c1CCCC2 ZINC000877692876 643458496 /nfs/dbraw/zinc/45/84/96/643458496.db2.gz XZBYWYJEHMBHOB-UHFFFAOYSA-N 0 0 261.300 2.676 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccc(N3CCCC3)nc1)C2 ZINC000877703190 643468928 /nfs/dbraw/zinc/46/89/28/643468928.db2.gz VMPPKIHIGUXHLB-UHFFFAOYSA-N 0 0 295.386 2.903 20 10 CFCDRN CCc1nc(CN2Cc3cccc(O)c3C2)cs1 ZINC000877703570 643469627 /nfs/dbraw/zinc/46/96/27/643469627.db2.gz PBDVGQZKWWYEKN-UHFFFAOYSA-N 0 0 260.362 2.927 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877777746 643554611 /nfs/dbraw/zinc/55/46/11/643554611.db2.gz DJFNVTBSNJXCBM-LDYMZIIASA-N 0 0 275.751 2.824 20 10 CFCDRN CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877795585 643560814 /nfs/dbraw/zinc/56/08/14/643560814.db2.gz OXZAFWYJGMZZLI-NSHDSACASA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1ccc2c(c1)N[C@@H](c1ccc(N(C)C)cc1)NC2=O ZINC000877862870 643611562 /nfs/dbraw/zinc/61/15/62/643611562.db2.gz BXBZZUJXPKOUED-MRXNPFEDSA-N 0 0 281.359 2.915 20 10 CFCDRN CCOc1ccc(O)c([C@@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877864274 643612500 /nfs/dbraw/zinc/61/25/00/643612500.db2.gz OTWRIVFOWSPLFE-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN CCc1nnc(NC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000877952715 643660650 /nfs/dbraw/zinc/66/06/50/643660650.db2.gz VNCPWJQXKVGSQM-QMMMGPOBSA-N 0 0 292.364 2.689 20 10 CFCDRN COc1cc(N(C)C[C@@H]2CCO[C@H]2C)cc(OC)c1OC ZINC000878128544 643750829 /nfs/dbraw/zinc/75/08/29/643750829.db2.gz FRFRDYKZILAXQO-RYUDHWBXSA-N 0 0 295.379 2.574 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCc3ncnn32)cc1Cl ZINC000878186190 643783670 /nfs/dbraw/zinc/78/36/70/643783670.db2.gz GYVSBWTZAUPTTN-LLVKDONJSA-N 0 0 292.770 2.564 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@H]1C[C@@H](OC)C1)CCC2 ZINC000878711572 644002056 /nfs/dbraw/zinc/00/20/56/644002056.db2.gz QWYJGFOSRZJDAG-XBXGTLAGSA-N 0 0 291.391 2.881 20 10 CFCDRN CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127536664 644154746 /nfs/dbraw/zinc/15/47/46/644154746.db2.gz YAOHRRIMDFFZEE-UHFFFAOYSA-N 0 0 258.705 2.796 20 10 CFCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2C)cc1F ZINC000091814830 650909226 /nfs/dbraw/zinc/90/92/26/650909226.db2.gz XKIWBVAQAKUHIF-ZDUSSCGKSA-N 0 0 280.387 2.893 20 10 CFCDRN CCc1noc([C@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651576 644364460 /nfs/dbraw/zinc/36/44/60/644364460.db2.gz BSAWWRWPROTQHO-UWVGGRQHSA-N 0 0 261.325 2.749 20 10 CFCDRN CN(Cc1ncn(-c2ccccc2)n1)Cc1ccccc1O ZINC000092803996 650926122 /nfs/dbraw/zinc/92/61/22/650926122.db2.gz AXARJSQLRXVSFB-UHFFFAOYSA-N 0 0 294.358 2.605 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000248489548 650936076 /nfs/dbraw/zinc/93/60/76/650936076.db2.gz HMVYPEVNIDMQKV-CHWSQXEVSA-N 0 0 280.387 2.914 20 10 CFCDRN CN(C)c1ccc(CNC2(c3ncccn3)CCC2)cc1 ZINC000880366699 644669411 /nfs/dbraw/zinc/66/94/11/644669411.db2.gz QUTADVCKXSHLDI-UHFFFAOYSA-N 0 0 282.391 2.712 20 10 CFCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)C(F)F ZINC000881010870 644892816 /nfs/dbraw/zinc/89/28/16/644892816.db2.gz OOPCTECGLFNDFR-JTQLQIEISA-N 0 0 272.295 2.577 20 10 CFCDRN CCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1C1CC1 ZINC000881441562 644975511 /nfs/dbraw/zinc/97/55/11/644975511.db2.gz ZFUYBGBLEGYMPA-LLVKDONJSA-N 0 0 299.374 2.977 20 10 CFCDRN COc1ccc(CNc2nnc(C(C)(C)C)o2)c(O)c1 ZINC000882292941 645266556 /nfs/dbraw/zinc/26/65/56/645266556.db2.gz MTLHRLDMKXYKER-UHFFFAOYSA-N 0 0 277.324 2.693 20 10 CFCDRN CCCOc1ccnc(NCc2ccc(OC)cc2O)n1 ZINC000882293970 645267133 /nfs/dbraw/zinc/26/71/33/645267133.db2.gz RPLBVDZHVJMBCB-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN Cc1c(C)c(N2Cc3cccc(O)c3C2)nnc1Cl ZINC000882689903 645410841 /nfs/dbraw/zinc/41/08/41/645410841.db2.gz DNGPJFOTSAWZAK-UHFFFAOYSA-N 0 0 275.739 2.973 20 10 CFCDRN CCN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882991808 645548625 /nfs/dbraw/zinc/54/86/25/645548625.db2.gz ILTBQJVAUFOANT-ZDUSSCGKSA-N 0 0 284.350 2.634 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882993858 645550548 /nfs/dbraw/zinc/55/05/48/645550548.db2.gz JSZZSUNEGRKLFX-LKFCYVNXSA-N 0 0 273.323 2.557 20 10 CFCDRN CC(C)n1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883015922 645563632 /nfs/dbraw/zinc/56/36/32/645563632.db2.gz IKUSPGJYWMOTCC-UHFFFAOYSA-N 0 0 281.306 2.738 20 10 CFCDRN Cc1nccn1CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883017589 645564458 /nfs/dbraw/zinc/56/44/58/645564458.db2.gz RVZSPQKYPRDXPQ-UHFFFAOYSA-N 0 0 295.333 2.745 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC000883018402 645565577 /nfs/dbraw/zinc/56/55/77/645565577.db2.gz BIQFDXDARYXDCO-GLQYFDAESA-N 0 0 297.345 2.964 20 10 CFCDRN COC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883026899 645568279 /nfs/dbraw/zinc/56/82/79/645568279.db2.gz INCATNPYOZKQGJ-LBPRGKRZSA-N 0 0 283.274 2.741 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000883043942 645579664 /nfs/dbraw/zinc/57/96/64/645579664.db2.gz BSRVWGSLDLTFCB-IACUBPJLSA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc(C)n1 ZINC000883147265 645625903 /nfs/dbraw/zinc/62/59/03/645625903.db2.gz QDHBLLAOESAGTL-UHFFFAOYSA-N 0 0 278.302 2.972 20 10 CFCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])OC1 ZINC000883243856 645692095 /nfs/dbraw/zinc/69/20/95/645692095.db2.gz ZCHUQIBACCRFBC-CYBMUJFWSA-N 0 0 294.351 2.595 20 10 CFCDRN CCN1CCC([N@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC000131564574 645753598 /nfs/dbraw/zinc/75/35/98/645753598.db2.gz BQLHZIPKBQQDFY-UHFFFAOYSA-N 0 0 282.815 2.962 20 10 CFCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(F)F ZINC000883406893 645802230 /nfs/dbraw/zinc/80/22/30/645802230.db2.gz DQOZJTOSBRWKGT-SSDOTTSWSA-N 0 0 264.266 2.774 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C/c1cncc(C)c1 ZINC000131805762 645827954 /nfs/dbraw/zinc/82/79/54/645827954.db2.gz BHRYBXNDOLQNJH-AATRIKPKSA-N 0 0 271.320 2.671 20 10 CFCDRN Cc1cc(C(=O)Cn2cncn2)c(C)n1-c1cccc(C)c1 ZINC000131883104 645845634 /nfs/dbraw/zinc/84/56/34/645845634.db2.gz NMSYTOUONVLMLE-UHFFFAOYSA-N 0 0 294.358 2.877 20 10 CFCDRN O=C(NCCCSc1nccs1)NC[C@@H]1C=CCC1 ZINC000883516671 645868541 /nfs/dbraw/zinc/86/85/41/645868541.db2.gz DEHMIRIOSHBHLB-LLVKDONJSA-N 0 0 297.449 2.891 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132664046 645948314 /nfs/dbraw/zinc/94/83/14/645948314.db2.gz CIPPWTCJCATARA-SECBINFHSA-N 0 0 270.170 2.997 20 10 CFCDRN O=C(NCC1(CC2CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000883861178 646006948 /nfs/dbraw/zinc/00/69/48/646006948.db2.gz WNTQLBHKFRATAT-UHFFFAOYSA-N 0 0 286.375 2.998 20 10 CFCDRN CC(=O)c1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000133800252 646228853 /nfs/dbraw/zinc/22/88/53/646228853.db2.gz UZIKCVWYQMTWII-UHFFFAOYSA-N 0 0 284.315 2.917 20 10 CFCDRN O=C(Cc1ccccc1Cl)NCc1ccccc1O ZINC000133797920 646229011 /nfs/dbraw/zinc/22/90/11/646229011.db2.gz SXDTYPSOUVSMQU-UHFFFAOYSA-N 0 0 275.735 2.905 20 10 CFCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000133795142 646229284 /nfs/dbraw/zinc/22/92/84/646229284.db2.gz FHCAUYJYJZXBOG-UHFFFAOYSA-N 0 0 299.365 2.939 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc(F)c1F ZINC000134264717 646316881 /nfs/dbraw/zinc/31/68/81/646316881.db2.gz QDCUNFCOBPRWGJ-UHFFFAOYSA-N 0 0 263.243 2.600 20 10 CFCDRN Cc1nc(C)c(CC(=O)N(C)c2ccc(N)cc2)s1 ZINC000884441295 646359269 /nfs/dbraw/zinc/35/92/69/646359269.db2.gz FFPQLLOVMWTBRY-UHFFFAOYSA-N 0 0 275.377 2.548 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)oc1C ZINC000135034009 646439693 /nfs/dbraw/zinc/43/96/93/646439693.db2.gz MKKDVZZFCJVWAW-UHFFFAOYSA-N 0 0 259.305 2.874 20 10 CFCDRN COC(=O)/C=C\c1ccc(N(C)CCCF)c([N+](=O)[O-])c1 ZINC000884855550 646560705 /nfs/dbraw/zinc/56/07/05/646560705.db2.gz KCMNGLWCIQVXOM-ALCCZGGFSA-N 0 0 296.298 2.577 20 10 CFCDRN Cc1[nH]nc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000886197926 646916332 /nfs/dbraw/zinc/91/63/32/646916332.db2.gz QLCCWXBBIAMHLU-UHFFFAOYSA-N 0 0 280.322 2.983 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886285245 646953341 /nfs/dbraw/zinc/95/33/41/646953341.db2.gz CIWDYTOQGOWXHB-LBPRGKRZSA-N 0 0 283.318 2.719 20 10 CFCDRN CC1(C)CO[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000886307110 646961450 /nfs/dbraw/zinc/96/14/50/646961450.db2.gz JRFQBOIDUPDZCA-ZDUSSCGKSA-N 0 0 294.351 2.595 20 10 CFCDRN CC1(C)CO[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000886307109 646961503 /nfs/dbraw/zinc/96/15/03/646961503.db2.gz JRFQBOIDUPDZCA-CYBMUJFWSA-N 0 0 294.351 2.595 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000890269549 647010560 /nfs/dbraw/zinc/01/05/60/647010560.db2.gz JCZSJJYGJNPSLE-TXEJJXNPSA-N 0 0 286.335 2.721 20 10 CFCDRN C[C@H]([NH2+]CCCOCC1CC1)c1c([O-])cccc1F ZINC000886493459 647018908 /nfs/dbraw/zinc/01/89/08/647018908.db2.gz MTSACMIZFDETSB-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN COc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)ccn1 ZINC000886500063 647021112 /nfs/dbraw/zinc/02/11/12/647021112.db2.gz DJGGVYXLZYOJOW-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@H]([NH2+]CCc1cccnc1)c1c([O-])cccc1F ZINC000886500283 647021122 /nfs/dbraw/zinc/02/11/22/647021122.db2.gz NHZAVPMVNOQZMK-NSHDSACASA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1c([O-])cccc1F ZINC000886501329 647021386 /nfs/dbraw/zinc/02/13/86/647021386.db2.gz GEUHFLRLMCIGOF-ZWNOBZJWSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886518628 647026061 /nfs/dbraw/zinc/02/60/61/647026061.db2.gz APKXIFIRYZVHTE-SNVBAGLBSA-N 0 0 298.358 2.707 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1c([O-])cccc1F ZINC000886524379 647029029 /nfs/dbraw/zinc/02/90/29/647029029.db2.gz JRIHXQPVRYJFIO-GHMZBOCLSA-N 0 0 266.360 2.665 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526401 647029754 /nfs/dbraw/zinc/02/97/54/647029754.db2.gz LPLSSTRDJNQQGI-YGRLFVJLSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1c([O-])cccc1F ZINC000886528547 647030774 /nfs/dbraw/zinc/03/07/74/647030774.db2.gz NXPFEWAAVUHOFT-QWRGUYRKSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1c([O-])cccc1F ZINC000886532519 647033118 /nfs/dbraw/zinc/03/31/18/647033118.db2.gz KNCFNYZRTULTTG-LLVKDONJSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886536332 647035155 /nfs/dbraw/zinc/03/51/55/647035155.db2.gz FXZCANFBLWJLCG-JSGCOSHPSA-N 0 0 289.350 2.958 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1c([O-])cccc1F ZINC000886537008 647035929 /nfs/dbraw/zinc/03/59/29/647035929.db2.gz SALOSUZAQVDZKD-NHYWBVRUSA-N 0 0 298.427 2.619 20 10 CFCDRN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1c([O-])cccc1F ZINC000886539034 647036369 /nfs/dbraw/zinc/03/63/69/647036369.db2.gz RUIGHSFYJAHQBR-UDTVLSCZSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1c([O-])cccc1F ZINC000886538379 647036802 /nfs/dbraw/zinc/03/68/02/647036802.db2.gz HDQYFPAAGOWLLL-GRYCIOLGSA-N 0 0 278.371 2.807 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886540777 647037709 /nfs/dbraw/zinc/03/77/09/647037709.db2.gz KSLHXHPCIKVUJO-IJLUTSLNSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886549086 647042967 /nfs/dbraw/zinc/04/29/67/647042967.db2.gz BNFBNZVYIXBELK-QWRGUYRKSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]CCOc1ncccc1F)c1c([O-])cccc1F ZINC000886553575 647045480 /nfs/dbraw/zinc/04/54/80/647045480.db2.gz QDNBAKFJWCKMLK-JTQLQIEISA-N 0 0 294.301 2.795 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561977 647048106 /nfs/dbraw/zinc/04/81/06/647048106.db2.gz NWZYITCZQXIEJU-COPLHBTASA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000886588129 647056527 /nfs/dbraw/zinc/05/65/27/647056527.db2.gz LKLNAHZEPQWCGJ-WOPDTQHZSA-N 0 0 267.344 2.997 20 10 CFCDRN COCc1nc(CN[C@@H](C)c2c(O)cccc2F)cs1 ZINC000886612099 647067373 /nfs/dbraw/zinc/06/73/73/647067373.db2.gz BRNJNLWGPYREJR-VIFPVBQESA-N 0 0 296.367 2.985 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H](O)C(F)F ZINC000886617211 647070013 /nfs/dbraw/zinc/07/00/13/647070013.db2.gz GUTZZOFUNUHYBF-FDOIEUKUSA-N 0 0 277.286 2.587 20 10 CFCDRN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886620559 647072700 /nfs/dbraw/zinc/07/27/00/647072700.db2.gz MZAWGFYBPDQMEB-QWRGUYRKSA-N 0 0 277.343 2.547 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886623392 647073693 /nfs/dbraw/zinc/07/36/93/647073693.db2.gz CNVRWLCNYPWVMN-GMTAPVOTSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H](N[C@H](C)c1c(O)cccc1F)c1csnn1 ZINC000886626917 647076383 /nfs/dbraw/zinc/07/63/83/647076383.db2.gz ODLPSNQJBDGHQW-HTQZYQBOSA-N 0 0 267.329 2.795 20 10 CFCDRN C[C@@H]([NH2+]CCC1(CO)CCC1)c1c([O-])cccc1F ZINC000886633288 647079268 /nfs/dbraw/zinc/07/92/68/647079268.db2.gz RFBKFPXVQKNPEU-LLVKDONJSA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886636009 647080842 /nfs/dbraw/zinc/08/08/42/647080842.db2.gz DRECXDVMLRFAQJ-GZMMTYOYSA-N 0 0 275.270 2.606 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1c([O-])cccc1F ZINC000886649569 647088775 /nfs/dbraw/zinc/08/87/75/647088775.db2.gz DKMUIZYGLQUAOG-YPMHNXCESA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886650600 647089379 /nfs/dbraw/zinc/08/93/79/647089379.db2.gz ZMFCGFQZEINFOV-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H]2C2CCCC2)c(O)c1O ZINC000889405369 647563321 /nfs/dbraw/zinc/56/33/21/647563321.db2.gz OIWWCMDQPNDEOC-CYBMUJFWSA-N 0 0 275.348 2.811 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000890461297 647805290 /nfs/dbraw/zinc/80/52/90/647805290.db2.gz AHEREXKQNNFJCG-RUZUBIRVSA-N 0 0 286.375 2.710 20 10 CFCDRN Cc1nonc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000924873488 648063584 /nfs/dbraw/zinc/06/35/84/648063584.db2.gz WXQPGPWEMSBNCI-NSHDSACASA-N 0 0 286.379 2.611 20 10 CFCDRN Cc1nonc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000925079865 648101746 /nfs/dbraw/zinc/10/17/46/648101746.db2.gz IRLVAMOADBTBQV-LLVKDONJSA-N 0 0 274.368 2.603 20 10 CFCDRN COC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000925525268 648199619 /nfs/dbraw/zinc/19/96/19/648199619.db2.gz GXTBAESHGUINGQ-WDEREUQCSA-N 0 0 280.368 2.566 20 10 CFCDRN COC(C)(C)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000925525266 648199876 /nfs/dbraw/zinc/19/98/76/648199876.db2.gz GXTBAESHGUINGQ-MNOVXSKESA-N 0 0 280.368 2.566 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](c2ccccn2)C2CC2)cc1 ZINC000926140839 648415603 /nfs/dbraw/zinc/41/56/03/648415603.db2.gz BSXYQFOATOJPBY-HNNXBMFYSA-N 0 0 282.347 2.937 20 10 CFCDRN COc1ccc(CNC(=O)NCCC2CC=CC2)c(O)c1 ZINC000926723778 648590866 /nfs/dbraw/zinc/59/08/66/648590866.db2.gz LXJMSGYGWHOFOZ-UHFFFAOYSA-N 0 0 290.363 2.556 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000927147603 648728306 /nfs/dbraw/zinc/72/83/06/648728306.db2.gz MIAIACVHNWXWNZ-OPRDCNLKSA-N 0 0 289.297 2.833 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000927699217 648817755 /nfs/dbraw/zinc/81/77/55/648817755.db2.gz NKNSSDADVPSLJS-CJNGLKHVSA-N 0 0 274.364 2.724 20 10 CFCDRN O=C(N[C@H](c1ccccn1)C1CC1)C1=CC(=O)CS1 ZINC000928613109 648933440 /nfs/dbraw/zinc/93/34/40/648933440.db2.gz SSSUEISOFRHQJI-ZDUSSCGKSA-N 0 0 274.345 2.730 20 10 CFCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1c(O)cccc1F ZINC000928704558 648944019 /nfs/dbraw/zinc/94/40/19/648944019.db2.gz BVZLZXGHQNKHAX-UHFFFAOYSA-N 0 0 291.326 2.616 20 10 CFCDRN CC(=O)[C@H](C)CCCCC(=O)NCc1c(O)cccc1F ZINC000928706140 648944546 /nfs/dbraw/zinc/94/45/46/648944546.db2.gz RSSXLPGRUKPGQM-LLVKDONJSA-N 0 0 295.354 2.933 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1c(O)cccc1F ZINC000928706532 648944641 /nfs/dbraw/zinc/94/46/41/648944641.db2.gz VYVFJCPOKVOKHT-ABAIWWIYSA-N 0 0 295.354 2.743 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F ZINC000928706533 648944789 /nfs/dbraw/zinc/94/47/89/648944789.db2.gz VYVFJCPOKVOKHT-IAQYHMDHSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(CCCc1cccnc1)NCc1c(O)cccc1F ZINC000928706177 648944938 /nfs/dbraw/zinc/94/49/38/648944938.db2.gz OSUPFNZRDVFVDE-UHFFFAOYSA-N 0 0 288.322 2.565 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2c(O)cccc2F)cn1 ZINC000928706121 648944956 /nfs/dbraw/zinc/94/49/56/648944956.db2.gz RBJQKDQCVWZJQM-UHFFFAOYSA-N 0 0 288.322 2.980 20 10 CFCDRN Cc1csc(CCC(=O)NCc2c(O)cccc2F)n1 ZINC000928707468 648945552 /nfs/dbraw/zinc/94/55/52/648945552.db2.gz FCURONPOGUKUGS-UHFFFAOYSA-N 0 0 294.351 2.545 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C12CCC(CC1)C2 ZINC000928709235 648945833 /nfs/dbraw/zinc/94/58/33/648945833.db2.gz ZRNPBUABFBWKBW-UHFFFAOYSA-N 0 0 263.312 2.728 20 10 CFCDRN Cc1csc([C@H](C)C(=O)NCc2c(O)cccc2F)n1 ZINC000928708429 648945909 /nfs/dbraw/zinc/94/59/09/648945909.db2.gz LVHIXVROZIAIRW-SECBINFHSA-N 0 0 294.351 2.716 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000928712824 648946733 /nfs/dbraw/zinc/94/67/33/648946733.db2.gz VNURNSOPUCJGQA-JCURWCKSSA-N 0 0 297.329 2.733 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1c1ccco1 ZINC000928710528 648946810 /nfs/dbraw/zinc/94/68/10/648946810.db2.gz UOFOXVFLGMNDTK-NXEZZACHSA-N 0 0 275.279 2.544 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(O)CC)cc1 ZINC000929536977 649068254 /nfs/dbraw/zinc/06/82/54/649068254.db2.gz GYAXLNPYLZGGOK-KRWDZBQOSA-N 0 0 292.423 2.652 20 10 CFCDRN O=C(Nc1ccc2c(n1)CCC2)N1Cc2cccc(O)c2C1 ZINC000931673492 649468996 /nfs/dbraw/zinc/46/89/96/649468996.db2.gz QXPNYFUTDRLKRU-UHFFFAOYSA-N 0 0 295.342 2.824 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC000932852629 649651125 /nfs/dbraw/zinc/65/11/25/649651125.db2.gz UBKGWBQCBFFVCS-CMDGGOBGSA-N 0 0 281.359 2.721 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)C[C@@H](C)O2 ZINC000934065181 649743809 /nfs/dbraw/zinc/74/38/09/649743809.db2.gz NHCKWSLHOMOWLM-SCXUMTSISA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cn(C)cn1 ZINC000934102086 649749135 /nfs/dbraw/zinc/74/91/35/649749135.db2.gz DERCBKCCXGRJFS-VGVVRCBHSA-N 0 0 297.358 2.556 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000934704641 649817724 /nfs/dbraw/zinc/81/77/24/649817724.db2.gz CNYFFOVPIZZRQJ-ZBFHGGJFSA-N 0 0 289.375 2.698 20 10 CFCDRN CC(C)OC(=O)C(C)(C)NCc1ccc(N(C)C)cc1 ZINC000934819724 649834008 /nfs/dbraw/zinc/83/40/08/649834008.db2.gz IMPPLYZMRRLXAB-UHFFFAOYSA-N 0 0 278.396 2.572 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000098122231 651070079 /nfs/dbraw/zinc/07/00/79/651070079.db2.gz SHKDTRASODGXBW-NWDGAFQWSA-N 0 0 264.369 2.968 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000098121026 651070118 /nfs/dbraw/zinc/07/01/18/651070118.db2.gz KLOYTMWOXSRUSU-CHWSQXEVSA-N 0 0 277.412 2.986 20 10 CFCDRN Cc1nnc(NCc2ccc(N(C)C)c(F)c2)n1C1CC1 ZINC000284394744 651299215 /nfs/dbraw/zinc/29/92/15/651299215.db2.gz ZFTXLVYPDCANDO-UHFFFAOYSA-N 0 0 289.358 2.739 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000402095659 769842893 /nfs/dbraw/zinc/84/28/93/769842893.db2.gz WRDSFHGICAXCPJ-GMSGAONNSA-N 0 0 276.163 2.966 20 10 CFCDRN Nc1ccc(N(CCO)C2=CCC(F)(F)CC2)cc1 ZINC001210032540 770194843 /nfs/dbraw/zinc/19/48/43/770194843.db2.gz PFPBBAZEXWLUQN-UHFFFAOYSA-N 0 0 268.307 2.771 20 10 CFCDRN Cc1ccn2ncc(C(=O)NCc3cc(C)ccc3O)c2c1 ZINC001167293526 770227222 /nfs/dbraw/zinc/22/72/22/770227222.db2.gz HRKKETIHTQEMIA-UHFFFAOYSA-N 0 0 295.342 2.587 20 10 CFCDRN COC(=O)[C@H](CC(C)C)N[C@H](C)c1ccccc1O ZINC000036981126 770276511 /nfs/dbraw/zinc/27/65/11/770276511.db2.gz QVKFZJUQQNGSFG-YPMHNXCESA-N 0 0 265.353 2.631 20 10 CFCDRN CC[C@H]1C[NH+](Cc2cccc(F)c2[O-])C[C@H](CC)O1 ZINC000398783300 770607585 /nfs/dbraw/zinc/60/75/85/770607585.db2.gz MVWQXBVJKRBYSL-STQMWFEESA-N 0 0 267.344 2.921 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CC=CCC3)ccc21 ZINC000077575428 770614822 /nfs/dbraw/zinc/61/48/22/770614822.db2.gz IGVYUTGMGQJNSW-INIZCTEOSA-N 0 0 299.418 2.977 20 10 CFCDRN CCN(CC)c1ccc(CNCc2nc(C)c[nH]2)cc1 ZINC000693511488 770762275 /nfs/dbraw/zinc/76/22/75/770762275.db2.gz LAOUKSOJCLEPAP-UHFFFAOYSA-N 0 0 272.396 2.854 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(O)cc1F ZINC000588506303 770887278 /nfs/dbraw/zinc/88/72/78/770887278.db2.gz CZLPKNCQTCMGGF-KXFIGUGUSA-N 0 0 289.262 2.594 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000404384711 773230508 /nfs/dbraw/zinc/23/05/08/773230508.db2.gz OJTVWRACDADKAK-UHFFFAOYSA-N 0 0 296.168 2.785 20 10 CFCDRN C/C=C\C[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000588582204 775165180 /nfs/dbraw/zinc/16/51/80/775165180.db2.gz ZTJADIZZTMAYRJ-PKRMOACSSA-N 0 0 273.735 2.601 20 10 CFCDRN C/C(=C/c1cccnc1)C(=O)N1CCOc2ncc(C)cc21 ZINC001267341617 775228812 /nfs/dbraw/zinc/22/88/12/775228812.db2.gz JRZKLNXOZZVVDF-LCYFTJDESA-N 0 0 295.342 2.614 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725065906 775262292 /nfs/dbraw/zinc/26/22/92/775262292.db2.gz ZGVQUALWHSDSIK-CQSZACIVSA-N 0 0 285.334 2.701 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690788408 775415028 /nfs/dbraw/zinc/41/50/28/775415028.db2.gz DPYJHKFHTXUEIP-NWDGAFQWSA-N 0 0 267.756 2.514 20 10 CFCDRN CCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])COC1 ZINC000393984964 775540035 /nfs/dbraw/zinc/54/00/35/775540035.db2.gz JYPIUCINUDJIIY-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cncnc2)c(Cl)c1 ZINC001140926864 775655761 /nfs/dbraw/zinc/65/57/61/775655761.db2.gz YFNCXHAVYWIEAL-UHFFFAOYSA-N 0 0 290.798 2.828 20 10 CFCDRN O=C1c2cccc(O)c2C(=O)c2c(OC3CC3)cccc21 ZINC001226380044 775797441 /nfs/dbraw/zinc/79/74/41/775797441.db2.gz MMHWZWHVSMDUNF-UHFFFAOYSA-N 0 0 280.279 2.709 20 10 CFCDRN Cc1ccccc1[C@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464200 775833134 /nfs/dbraw/zinc/83/31/34/775833134.db2.gz DZPRQUZGGTXCTD-QMMMGPOBSA-N 0 0 292.287 2.663 20 10 CFCDRN O=C1N[C@@H](c2cccc(Cl)c2O)Nc2ccccc21 ZINC000124677457 776214608 /nfs/dbraw/zinc/21/46/08/776214608.db2.gz OQIHRGOIEGYXCE-ZDUSSCGKSA-N 0 0 274.707 2.900 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCOC3)cccc21 ZINC001228073372 776385095 /nfs/dbraw/zinc/38/50/95/776385095.db2.gz JSFFPNGJNMDUSD-LLVKDONJSA-N 0 0 294.306 2.630 20 10 CFCDRN CC(C)n1ccnc1CNCc1ccc(N(C)C)cc1 ZINC000692914858 776668823 /nfs/dbraw/zinc/66/88/23/776668823.db2.gz CHRMZWGOBWVIMZ-UHFFFAOYSA-N 0 0 272.396 2.820 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402050743 776784867 /nfs/dbraw/zinc/78/48/67/776784867.db2.gz MUSMQESHSHRKSE-NSHDSACASA-N 0 0 269.772 2.952 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2nccs2)cc1 ZINC000710638090 777090261 /nfs/dbraw/zinc/09/02/61/777090261.db2.gz OEIBNAICHHABNS-ZDUSSCGKSA-N 0 0 287.388 2.632 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446492 777218863 /nfs/dbraw/zinc/21/88/63/777218863.db2.gz JNYINGBJEOVWGH-NSHDSACASA-N 0 0 263.337 2.712 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C[C@H]1C ZINC001231446406 777220563 /nfs/dbraw/zinc/22/05/63/777220563.db2.gz IPFOIKIKIJRSNP-NWDGAFQWSA-N 0 0 277.364 2.958 20 10 CFCDRN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447434 777220670 /nfs/dbraw/zinc/22/06/70/777220670.db2.gz TYMURNGYHPYVRV-UHFFFAOYSA-N 0 0 299.317 2.958 20 10 CFCDRN C[C@]1(F)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445665 777221061 /nfs/dbraw/zinc/22/10/61/777221061.db2.gz AGGVUOUILLRGDA-HNNXBMFYSA-N 0 0 281.327 2.805 20 10 CFCDRN CC(C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231452180 777221615 /nfs/dbraw/zinc/22/16/15/777221615.db2.gz CWQZGNSAIRUMQW-UHFFFAOYSA-N 0 0 277.364 2.958 20 10 CFCDRN CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454563 777222840 /nfs/dbraw/zinc/22/28/40/777222840.db2.gz GXGJYPXYOGPTLM-NSHDSACASA-N 0 0 263.337 2.712 20 10 CFCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1F ZINC001231452853 777222978 /nfs/dbraw/zinc/22/29/78/777222978.db2.gz VGPSHLLRJQYFPJ-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001231455913 777224018 /nfs/dbraw/zinc/22/40/18/777224018.db2.gz XLYDYYLCLPKJGF-FZMZJTMJSA-N 0 0 275.348 2.855 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@H]1C ZINC001231563326 777260639 /nfs/dbraw/zinc/26/06/39/777260639.db2.gz HRHRKYDUYUAVKC-QWRGUYRKSA-N 0 0 263.337 2.711 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001231564980 777261074 /nfs/dbraw/zinc/26/10/74/777261074.db2.gz MMAZGRZDALOQFD-JTQLQIEISA-N 0 0 285.290 2.568 20 10 CFCDRN CCC[NH+](CCC)Cc1cc(C(=O)[O-])ccc1O ZINC001231562012 777261900 /nfs/dbraw/zinc/26/19/00/777261900.db2.gz YSHYUWMDEWCNLA-UHFFFAOYSA-N 0 0 251.326 2.712 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)nn1 ZINC001126428667 777262025 /nfs/dbraw/zinc/26/20/25/777262025.db2.gz KXPYBXZZYLVTSO-YVMONPNESA-N 0 0 288.738 2.510 20 10 CFCDRN Cn1ncc2c1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231590449 777271241 /nfs/dbraw/zinc/27/12/41/777271241.db2.gz BBROBYRGSCLLLJ-UHFFFAOYSA-N 0 0 293.370 2.837 20 10 CFCDRN Cc1cccc(CN2CC(F)(F)C[C@H]2CF)c1O ZINC001231591269 777271668 /nfs/dbraw/zinc/27/16/68/777271668.db2.gz XUWKUKDHMDODDL-NSHDSACASA-N 0 0 259.271 2.880 20 10 CFCDRN COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)cc1O ZINC001231633555 777286463 /nfs/dbraw/zinc/28/64/63/777286463.db2.gz OZMGKPUPBMPNCX-PHIMTYICSA-N 0 0 299.317 2.584 20 10 CFCDRN COc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)cc1O ZINC001231635728 777286526 /nfs/dbraw/zinc/28/65/26/777286526.db2.gz JABJYGXEMKKFDK-VIFPVBQESA-N 0 0 287.306 2.584 20 10 CFCDRN CC[N@H+](Cc1cccnc1)Cc1cc(OC)c(O)cc1O ZINC001231636380 777287344 /nfs/dbraw/zinc/28/73/44/777287344.db2.gz UDTHAOVAGNGALR-UHFFFAOYSA-N 0 0 288.347 2.524 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CC2(C1)CC(F)(F)C2 ZINC001231847734 777348376 /nfs/dbraw/zinc/34/83/76/777348376.db2.gz BZNWMGOZDGIXKJ-UHFFFAOYSA-N 0 0 296.361 2.992 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCc2occc2C1 ZINC001231854526 777352049 /nfs/dbraw/zinc/35/20/49/777352049.db2.gz IGDFIMUHHSKLRA-UHFFFAOYSA-N 0 0 286.375 2.913 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCCC[C@H]1C(C)=O ZINC001231854676 777352569 /nfs/dbraw/zinc/35/25/69/777352569.db2.gz KHMLTMCJNTYQBB-INIZCTEOSA-N 0 0 290.407 2.705 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001231909196 777378616 /nfs/dbraw/zinc/37/86/16/777378616.db2.gz AMFFJXIDMJCOGL-AWEZNQCLSA-N 0 0 287.762 2.732 20 10 CFCDRN CCC(=O)NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231911460 777380261 /nfs/dbraw/zinc/38/02/61/777380261.db2.gz GEUUVDROKLSWBC-UHFFFAOYSA-N 0 0 296.798 2.536 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001231909788 777380798 /nfs/dbraw/zinc/38/07/98/777380798.db2.gz IWUCGOGRAPIMTJ-CQSZACIVSA-N 0 0 287.762 2.732 20 10 CFCDRN CCC[NH+]1C[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001231914563 777383471 /nfs/dbraw/zinc/38/34/71/777383471.db2.gz OECVVHSJPJRZKP-KBPBESRZSA-N 0 0 294.826 2.819 20 10 CFCDRN F[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195437 777467444 /nfs/dbraw/zinc/46/74/44/777467444.db2.gz UPPPDZMORGXMOL-ZDUSSCGKSA-N 0 0 298.789 2.720 20 10 CFCDRN F[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232195435 777468066 /nfs/dbraw/zinc/46/80/66/777468066.db2.gz UPPPDZMORGXMOL-CYBMUJFWSA-N 0 0 298.789 2.720 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001232263807 777498047 /nfs/dbraw/zinc/49/80/47/777498047.db2.gz BCCVFUKFHSOWLP-PTOFAABTSA-N 0 0 285.746 2.987 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](F)C[C@H]2C)cc1Cl ZINC001232266914 777499637 /nfs/dbraw/zinc/49/96/37/777499637.db2.gz SQUNLSDNIZLBQG-SCZZXKLOSA-N 0 0 273.735 2.987 20 10 CFCDRN COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1Cl ZINC001232266405 777499647 /nfs/dbraw/zinc/49/96/47/777499647.db2.gz NQJSZSCQCHLMEN-GXFFZTMASA-N 0 0 299.798 2.647 20 10 CFCDRN Cc1c2cc[nH]c2ncc1NCCc1cc(O)c(O)cc1O ZINC001168010074 777601268 /nfs/dbraw/zinc/60/12/68/777601268.db2.gz QDICLXWKCQGOME-UHFFFAOYSA-N 0 0 299.330 2.594 20 10 CFCDRN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)Cc2ccccc21 ZINC001233011031 777763996 /nfs/dbraw/zinc/76/39/96/777763996.db2.gz XWSISKUFAYTUFK-LLVKDONJSA-N 0 0 285.343 2.923 20 10 CFCDRN C[N@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073633 777787547 /nfs/dbraw/zinc/78/75/47/777787547.db2.gz AXBOMCKZXZUPAC-UHFFFAOYSA-N 0 0 264.275 2.697 20 10 CFCDRN [O-]c1c(C[NH+]2CC3(C2)CC(F)(F)C3)ccc(F)c1F ZINC001233074215 777788348 /nfs/dbraw/zinc/78/83/48/777788348.db2.gz LDMOGVIUCGAIDT-UHFFFAOYSA-N 0 0 275.245 2.902 20 10 CFCDRN CC[NH+](CC)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077459 777788753 /nfs/dbraw/zinc/78/87/53/777788753.db2.gz PLPRMGFYLJVFBP-UHFFFAOYSA-N 0 0 298.377 2.977 20 10 CFCDRN CC[N@H+](CCN1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233078165 777790194 /nfs/dbraw/zinc/79/01/94/777790194.db2.gz JEFRHPMXHXWKKO-UHFFFAOYSA-N 0 0 298.377 2.978 20 10 CFCDRN COCCOC1CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287462 777866707 /nfs/dbraw/zinc/86/67/07/777866707.db2.gz QSGGYEVGHFQCDX-UHFFFAOYSA-N 0 0 293.407 2.537 20 10 CFCDRN COc1cc(Cl)cc(CN2CCCC(=O)[C@H](C)C2)c1O ZINC001233287525 777866770 /nfs/dbraw/zinc/86/67/70/777866770.db2.gz UMNBUNXNHLNHFR-SNVBAGLBSA-N 0 0 297.782 2.855 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001233288081 777870891 /nfs/dbraw/zinc/87/08/91/777870891.db2.gz VASHECYYYGQRBY-GWCFXTLKSA-N 0 0 299.798 2.647 20 10 CFCDRN C[C@@]1(CO)CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332205 777887748 /nfs/dbraw/zinc/88/77/48/777887748.db2.gz CDOCNSWKDDLLBZ-OAHLLOKOSA-N 0 0 285.334 2.655 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001233334706 777893697 /nfs/dbraw/zinc/89/36/97/777893697.db2.gz QNCIRPFDKWZSAO-SECBINFHSA-N 0 0 259.271 2.852 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CC(Oc2ccccc2)C1 ZINC001233334560 777894848 /nfs/dbraw/zinc/89/48/48/777894848.db2.gz LQRXGCAAERDQEG-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001233335894 777897092 /nfs/dbraw/zinc/89/70/92/777897092.db2.gz PYQOMBFRNIJXGE-LBPRGKRZSA-N 0 0 297.345 2.919 20 10 CFCDRN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415867 777942706 /nfs/dbraw/zinc/94/27/06/777942706.db2.gz LHTLBUHKHRFQOM-KOLCDFICSA-N 0 0 289.297 2.614 20 10 CFCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415673 777944134 /nfs/dbraw/zinc/94/41/34/777944134.db2.gz FFQYQACFHDSXPP-KOLCDFICSA-N 0 0 289.297 2.756 20 10 CFCDRN O=C1CCN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1F ZINC001233418345 777944378 /nfs/dbraw/zinc/94/43/78/777944378.db2.gz CMEVKWGDZJPAGB-SNVBAGLBSA-N 0 0 291.244 2.524 20 10 CFCDRN CCc1ccc(C[N@H+](C)Cc2cc(O)c(O)cc2O)cc1 ZINC001233486678 777963158 /nfs/dbraw/zinc/96/31/58/777963158.db2.gz XODVHCADLQTMTC-UHFFFAOYSA-N 0 0 287.359 2.998 20 10 CFCDRN CC[N@H+](Cc1cc(O)c(O)cc1O)Cc1ccccc1F ZINC001233486489 777964199 /nfs/dbraw/zinc/96/41/99/777964199.db2.gz OLZHGFXJGNVAMZ-UHFFFAOYSA-N 0 0 291.322 2.965 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1CCCCC1 ZINC000928711049 777964734 /nfs/dbraw/zinc/96/47/34/777964734.db2.gz ZIXABXIHQVJIDS-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN CO[C@@H](C)CO[C@@H](C)COc1ccc(N(C)C)cc1 ZINC001227940048 777966984 /nfs/dbraw/zinc/96/69/84/777966984.db2.gz GEXVHLXFFORBTA-STQMWFEESA-N 0 0 267.369 2.571 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1OCC[C@@H](C)OC ZINC001233497624 777969068 /nfs/dbraw/zinc/96/90/68/777969068.db2.gz QAGMMZBZHIUKFO-SNVBAGLBSA-N 0 0 282.336 2.884 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCOC[C@H]1F ZINC001233495358 777969213 /nfs/dbraw/zinc/96/92/13/777969213.db2.gz FICCWSMBVLTQIW-YGRLFVJLSA-N 0 0 298.310 2.586 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CN(C(C)C)C1 ZINC001233496835 777969263 /nfs/dbraw/zinc/96/92/63/777969263.db2.gz JSISBCNXHBDENN-UHFFFAOYSA-N 0 0 293.363 2.552 20 10 CFCDRN CCN1CCc2cc(O[C@H]3C=C(C)OC(=O)C3)ccc21 ZINC001233607620 778010027 /nfs/dbraw/zinc/01/00/27/778010027.db2.gz NJEPCSTVTJLKHG-AWEZNQCLSA-N 0 0 273.332 2.667 20 10 CFCDRN CC[C@H](C)[C@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948809 778120139 /nfs/dbraw/zinc/12/01/39/778120139.db2.gz MKVGSHKOXAQOHY-IUCAKERBSA-N 0 0 262.309 2.854 20 10 CFCDRN CC[C@H](C)[C@@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948808 778120146 /nfs/dbraw/zinc/12/01/46/778120146.db2.gz MKVGSHKOXAQOHY-DTWKUNHWSA-N 0 0 262.309 2.854 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCCC[C@H]1F ZINC001234475359 778233411 /nfs/dbraw/zinc/23/34/11/778233411.db2.gz GGCLGXCPAGNUOZ-MFKMUULPSA-N 0 0 268.284 2.960 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCC[C@H]1F ZINC001234475360 778234097 /nfs/dbraw/zinc/23/40/97/778234097.db2.gz GGCLGXCPAGNUOZ-ZWNOBZJWSA-N 0 0 268.284 2.960 20 10 CFCDRN Oc1ccc(Br)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714556302 778287850 /nfs/dbraw/zinc/28/78/50/778287850.db2.gz SAVHIVMSLUMKCN-AOOOYVTPSA-N 0 0 292.123 2.647 20 10 CFCDRN COc1cc(Cl)cc(CNCC(C)(F)F)c1O ZINC000697611096 778391436 /nfs/dbraw/zinc/39/14/36/778391436.db2.gz SHUKVBFYNDQONL-UHFFFAOYSA-N 0 0 265.687 2.799 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235130049 778394007 /nfs/dbraw/zinc/39/40/07/778394007.db2.gz QNIQJWYXXQEPIZ-OAHLLOKOSA-N 0 0 298.789 2.903 20 10 CFCDRN C[C@@]1(F)CCN(Cc2cc(F)c(F)cc2O)C[C@@H]1F ZINC001142509116 778395550 /nfs/dbraw/zinc/39/55/50/778395550.db2.gz XGTPDWGEADFLCZ-QWHCGFSZSA-N 0 0 277.261 2.942 20 10 CFCDRN CN(Cc1nccs1)Cc1cc(F)c(F)cc1O ZINC001142527331 778402615 /nfs/dbraw/zinc/40/26/15/778402615.db2.gz ROFJMTRDEJWAAX-UHFFFAOYSA-N 0 0 270.304 2.759 20 10 CFCDRN CC(C)(C)c1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC001235682221 778536177 /nfs/dbraw/zinc/53/61/77/778536177.db2.gz POAWRFRXTFKUAG-UHFFFAOYSA-N 0 0 277.408 2.894 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCC[NH2+]1 ZINC001236098578 778693209 /nfs/dbraw/zinc/69/32/09/778693209.db2.gz RSSVXROMHCJEJN-VIFPVBQESA-N 0 0 289.206 2.883 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1C=CCC1 ZINC000698252276 778784623 /nfs/dbraw/zinc/78/46/23/778784623.db2.gz ZIKPTMADBIMWMW-SNVBAGLBSA-N 0 0 268.154 2.963 20 10 CFCDRN COc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1C ZINC001236394512 778801908 /nfs/dbraw/zinc/80/19/08/778801908.db2.gz XEJCANHMWALLCL-UHFFFAOYSA-N 0 0 270.332 2.637 20 10 CFCDRN COc1cc(CN2CC[C@@H]2C)c(O)cc1Br ZINC001236747165 778927639 /nfs/dbraw/zinc/92/76/39/778927639.db2.gz IPWFUXUHNYKACL-QMMMGPOBSA-N 0 0 286.169 2.758 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001236792184 778939562 /nfs/dbraw/zinc/93/95/62/778939562.db2.gz CPEJWOSZIKVOCZ-ZYHUDNBSSA-N 0 0 294.153 2.604 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792040 778939658 /nfs/dbraw/zinc/93/96/58/778939658.db2.gz ARBFOHRRSPIAQO-SECBINFHSA-N 0 0 276.163 2.920 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001236792827 778939913 /nfs/dbraw/zinc/93/99/13/778939913.db2.gz RUIIFCPSLBYQKD-HOCLYGCPSA-N 0 0 261.365 2.565 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC12COC2 ZINC001236795906 778940714 /nfs/dbraw/zinc/94/07/14/778940714.db2.gz JTKANTAGHYSLKD-UHFFFAOYSA-N 0 0 274.147 2.674 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c([O-])c1Cl ZINC001236801073 778943057 /nfs/dbraw/zinc/94/30/57/778943057.db2.gz FGRGXUVDZKQVNB-HNNXBMFYSA-N 0 0 299.798 2.791 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1Cl ZINC001236801992 778944390 /nfs/dbraw/zinc/94/43/90/778944390.db2.gz MIICDLCVQCKSIS-CMPLNLGQSA-N 0 0 299.798 2.647 20 10 CFCDRN COC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236802397 778945010 /nfs/dbraw/zinc/94/50/10/778945010.db2.gz PJTNFSYXYFAFBG-LLVKDONJSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236809651 778948889 /nfs/dbraw/zinc/94/88/89/778948889.db2.gz ZJIJYYNFLJOSQZ-HUUCEWRRSA-N 0 0 285.334 2.981 20 10 CFCDRN CCCCOC1CN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236813948 778950484 /nfs/dbraw/zinc/95/04/84/778950484.db2.gz NFJZUCOXSABUAN-UHFFFAOYSA-N 0 0 279.380 2.710 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[C@H]1CO2 ZINC001237081904 779006334 /nfs/dbraw/zinc/00/63/34/779006334.db2.gz OOIDFUWIMVUMIV-YUMQZZPRSA-N 0 0 274.147 2.672 20 10 CFCDRN OC[C@]1(F)CCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078412 779006859 /nfs/dbraw/zinc/00/68/59/779006859.db2.gz SGEHMRNRADMLNB-LBPRGKRZSA-N 0 0 294.153 2.605 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCn2nccc2C1 ZINC001237087548 779009436 /nfs/dbraw/zinc/00/94/36/779009436.db2.gz YSMPTPLXNMCMLS-UHFFFAOYSA-N 0 0 298.173 2.911 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CCC1=O ZINC001237119864 779017412 /nfs/dbraw/zinc/01/74/12/779017412.db2.gz GZMLIUQDZRGBKS-MRVPVSSYSA-N 0 0 271.719 2.596 20 10 CFCDRN CCCOC1CN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125821 779018860 /nfs/dbraw/zinc/01/88/60/779018860.db2.gz FRSFXIAIKNSCEG-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1Cl ZINC001237122967 779019380 /nfs/dbraw/zinc/01/93/80/779019380.db2.gz FZJGQDGDGJLKSK-DTORHVGOSA-N 0 0 283.730 2.881 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC2(CSC2)C1 ZINC001237125345 779019498 /nfs/dbraw/zinc/01/94/98/779019498.db2.gz CRNRFPFLPWCUED-UHFFFAOYSA-N 0 0 273.760 2.734 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC2(C1)CCCOC2 ZINC001237123119 779019520 /nfs/dbraw/zinc/01/95/20/779019520.db2.gz HLSOJBPFGJWENV-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237141572 779024096 /nfs/dbraw/zinc/02/40/96/779024096.db2.gz YJMURIRPTRHBAE-TVQRCGJNSA-N 0 0 287.281 2.632 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233415956 779041296 /nfs/dbraw/zinc/04/12/96/779041296.db2.gz PZBXNXVNFZBHFF-BXKDBHETSA-N 0 0 289.297 2.614 20 10 CFCDRN CCN1CCc2cc(OC3CC4(COC4)C3)ccc21 ZINC001233602425 779058935 /nfs/dbraw/zinc/05/89/35/779058935.db2.gz USMKMGSVPOIHGQ-UHFFFAOYSA-N 0 0 259.349 2.627 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001237484295 779118302 /nfs/dbraw/zinc/11/83/02/779118302.db2.gz ASDMTCVOIRQRGG-ZIAGYGMSSA-N 0 0 255.308 2.973 20 10 CFCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617991 779144661 /nfs/dbraw/zinc/14/46/61/779144661.db2.gz WMJSXBRZSKCDPQ-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN Cc1cc(O)c(CN2CC(F)(F)C2)cc1Br ZINC001237675877 779158454 /nfs/dbraw/zinc/15/84/54/779158454.db2.gz CVAQMXCHGNCGTB-UHFFFAOYSA-N 0 0 292.123 2.914 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCOC3(CC3)C2)c1O ZINC001237687508 779161018 /nfs/dbraw/zinc/16/10/18/779161018.db2.gz FGVSGAQCGLYOLY-UHFFFAOYSA-N 0 0 267.756 2.719 20 10 CFCDRN Oc1cccc2c1C[N@H+](Cc1cccc3c1OCC3)CC2 ZINC001237754961 779175942 /nfs/dbraw/zinc/17/59/42/779175942.db2.gz OETGZSRANZBFNA-UHFFFAOYSA-N 0 0 281.355 2.885 20 10 CFCDRN CC(=O)C1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798205 779179835 /nfs/dbraw/zinc/17/98/35/779179835.db2.gz AGVOOHBGUYLJLC-UHFFFAOYSA-N 0 0 285.746 2.986 20 10 CFCDRN CO[C@H](C)C1C[NH+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803662 779183225 /nfs/dbraw/zinc/18/32/25/779183225.db2.gz UCOZUHPQGZNWDM-MRVPVSSYSA-N 0 0 273.735 2.651 20 10 CFCDRN CC[N@H+](CCC(=O)OC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237802803 779183483 /nfs/dbraw/zinc/18/34/83/779183483.db2.gz POVYNZSHZGEBQM-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237807797 779184636 /nfs/dbraw/zinc/18/46/36/779184636.db2.gz LZWUADJQHHSHFW-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@@H]1O ZINC001237807781 779184667 /nfs/dbraw/zinc/18/46/67/779184667.db2.gz LYGBRXBWXVPRDR-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1O ZINC001237933447 779209690 /nfs/dbraw/zinc/20/96/90/779209690.db2.gz BWLWMRFWIWFWSJ-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001237933620 779209759 /nfs/dbraw/zinc/20/97/59/779209759.db2.gz FBGSBXBYYVTNJL-CQSZACIVSA-N 0 0 285.746 2.797 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237940659 779211637 /nfs/dbraw/zinc/21/16/37/779211637.db2.gz BTSZSUZXPAQPTR-NXEZZACHSA-N 0 0 271.719 2.548 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001238057817 779241268 /nfs/dbraw/zinc/24/12/68/779241268.db2.gz NVDKBYAEKBCRBO-WBMJQRKESA-N 0 0 281.371 2.823 20 10 CFCDRN Cc1cc(F)cc(CN2CCCC(=O)[C@H](C)C2)c1O ZINC001238055773 779241478 /nfs/dbraw/zinc/24/14/78/779241478.db2.gz DENTUWARLIWUAF-LLVKDONJSA-N 0 0 265.328 2.641 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC001238055781 779241491 /nfs/dbraw/zinc/24/14/91/779241491.db2.gz DFSPKWMXGHESPX-WFASDCNBSA-N 0 0 279.355 2.841 20 10 CFCDRN Cc1nc2c(o1)CCN(Cc1cc(F)cc(C)c1O)C2 ZINC001238064725 779242790 /nfs/dbraw/zinc/24/27/90/779242790.db2.gz AUMMFQNCLJDPKF-UHFFFAOYSA-N 0 0 276.311 2.694 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC001238071388 779246980 /nfs/dbraw/zinc/24/69/80/779246980.db2.gz WKMGFVHSNMWXFK-HNNXBMFYSA-N 0 0 265.328 2.595 20 10 CFCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)[C@@H]1C ZINC001238071425 779247082 /nfs/dbraw/zinc/24/70/82/779247082.db2.gz XGBDOKDVUOTCAS-RISCZKNCSA-N 0 0 295.354 2.613 20 10 CFCDRN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)[C@H]1C ZINC001238071424 779247203 /nfs/dbraw/zinc/24/72/03/779247203.db2.gz XGBDOKDVUOTCAS-FZMZJTMJSA-N 0 0 295.354 2.613 20 10 CFCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cncnc1C ZINC001238176749 779271535 /nfs/dbraw/zinc/27/15/35/779271535.db2.gz DQILUOVNFYSFHM-UHFFFAOYSA-N 0 0 284.407 2.873 20 10 CFCDRN Cc1cc2c(cccc2-c2ccc(C(N)=O)nc2)n1C ZINC001239570585 779634019 /nfs/dbraw/zinc/63/40/19/779634019.db2.gz RHNJWRYOAGXNNF-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN COc1cc(C)c(CN2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001236806723 779642232 /nfs/dbraw/zinc/64/22/32/779642232.db2.gz AKPJXNYBFXHFAL-ZDUSSCGKSA-N 0 0 289.297 2.888 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]1(C)O ZINC001237617157 779700458 /nfs/dbraw/zinc/70/04/58/779700458.db2.gz LXQJBKCWEPLFSS-OTYXRUKQSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001239728319 779732749 /nfs/dbraw/zinc/73/27/49/779732749.db2.gz XTWFOSLFXYVCOH-UHFFFAOYSA-N 0 0 258.321 2.575 20 10 CFCDRN CCOCC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142832077 779827042 /nfs/dbraw/zinc/82/70/42/779827042.db2.gz WAFHMHNHCYLCKK-MRXNPFEDSA-N 0 0 291.391 2.785 20 10 CFCDRN COc1ncccc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001239860384 779828765 /nfs/dbraw/zinc/82/87/65/779828765.db2.gz NVRQQKARUWEBLL-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN COc1cccc(CC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001142846377 779844080 /nfs/dbraw/zinc/84/40/80/779844080.db2.gz HOVVKRDPUUABHI-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN CCCn1cc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001240134419 779959906 /nfs/dbraw/zinc/95/99/06/779959906.db2.gz SJTVJNYCGYOVHF-UHFFFAOYSA-N 0 0 294.358 2.565 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnn(CC(C)(C)O)c1 ZINC001240191943 779986870 /nfs/dbraw/zinc/98/68/70/779986870.db2.gz PZPSCNQNETXCRA-UHFFFAOYSA-N 0 0 269.348 2.813 20 10 CFCDRN Cc1cc(F)ccc1-c1noc(-c2csnn2)n1 ZINC001212362057 779994048 /nfs/dbraw/zinc/99/40/48/779994048.db2.gz LHGHJPSYMHPJBZ-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN COc1c(F)cc(F)cc1-c1noc(-c2csnn2)n1 ZINC001212362694 779994358 /nfs/dbraw/zinc/99/43/58/779994358.db2.gz XDVJMWFQBDWLCK-UHFFFAOYSA-N 0 0 296.258 2.542 20 10 CFCDRN COc1ccc(-c2noc(-c3csnn3)n2)c(C)c1 ZINC001212362127 779994445 /nfs/dbraw/zinc/99/44/45/779994445.db2.gz NXWBYTJVFMFZMP-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN c1nc2ccc(-c3noc(-c4csnn4)n3)cc2s1 ZINC001212362762 779995366 /nfs/dbraw/zinc/99/53/66/779995366.db2.gz ZRULYGBLSXCWDJ-UHFFFAOYSA-N 0 0 287.329 2.865 20 10 CFCDRN CCc1cc(-c2noc(-c3csnn3)n2)ccc1F ZINC001212362773 779995376 /nfs/dbraw/zinc/99/53/76/779995376.db2.gz ZZRDOKSNLBLLQG-UHFFFAOYSA-N 0 0 276.296 2.957 20 10 CFCDRN c1snnc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001212364092 779998338 /nfs/dbraw/zinc/99/83/38/779998338.db2.gz CTAYZAVVWPEIHN-UHFFFAOYSA-N 0 0 285.332 2.529 20 10 CFCDRN CCN1CCc2ccc(-c3noc(-c4csnn4)n3)cc21 ZINC001212364253 779998916 /nfs/dbraw/zinc/99/89/16/779998916.db2.gz LBPMZWQFRCDQDD-UHFFFAOYSA-N 0 0 299.359 2.638 20 10 CFCDRN Cc1cc2c(cccc2-c2ccc(=O)n(C)c2)n1C ZINC001240335308 780090934 /nfs/dbraw/zinc/09/09/34/780090934.db2.gz YQZCDUKKWNUDPN-UHFFFAOYSA-N 0 0 252.317 2.852 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccccc2N(C)C)no1 ZINC001212405074 780094954 /nfs/dbraw/zinc/09/49/54/780094954.db2.gz GFTOPPYGQPSGRX-UHFFFAOYSA-N 0 0 287.348 2.630 20 10 CFCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cncnc2)n1C ZINC001240373137 780118749 /nfs/dbraw/zinc/11/87/49/780118749.db2.gz UGGGZDNCBPUYBM-UHFFFAOYSA-N 0 0 296.330 2.515 20 10 CFCDRN Cn1ccc2ccc(-c3cncc4nnoc43)cc21 ZINC001240576466 780267436 /nfs/dbraw/zinc/26/74/36/780267436.db2.gz IMEIIYUPZYGTSF-UHFFFAOYSA-N 0 0 250.261 2.777 20 10 CFCDRN Cc1cc(-c2ccc3ccn(C)c3c2)cn(C)c1=O ZINC001240576108 780267614 /nfs/dbraw/zinc/26/76/14/780267614.db2.gz MRRLHVGPIPJNOU-UHFFFAOYSA-N 0 0 252.317 2.852 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn([C@@H]2CCCCO2)c1 ZINC001240672179 780346207 /nfs/dbraw/zinc/34/62/07/780346207.db2.gz LSNRSZQBPQHALX-ZDUSSCGKSA-N 0 0 283.335 2.531 20 10 CFCDRN CC(C)(C)c1cccc(CN2CCn3nccc3C2)c1O ZINC001143116839 780399523 /nfs/dbraw/zinc/39/95/23/780399523.db2.gz MAZZHOQJMSVWBI-UHFFFAOYSA-N 0 0 285.391 2.902 20 10 CFCDRN Oc1cccc(Nc2cc(F)cc(F)c2O)c1O ZINC001212487308 780405318 /nfs/dbraw/zinc/40/53/18/780405318.db2.gz FXIUDWLMKVSVKW-UHFFFAOYSA-N 0 0 253.204 2.825 20 10 CFCDRN Cn1ccc(-c2cncc(Oc3cccc(F)c3)n2)cc1=O ZINC001240977037 780565878 /nfs/dbraw/zinc/56/58/78/780565878.db2.gz ADTSPMGUQKHNSQ-UHFFFAOYSA-N 0 0 297.289 2.774 20 10 CFCDRN Cn1ccc(-c2cncc(Oc3ccccc3)n2)cc1=O ZINC001240978167 780566759 /nfs/dbraw/zinc/56/67/59/780566759.db2.gz QKFJXNCIQLGJFC-UHFFFAOYSA-N 0 0 279.299 2.635 20 10 CFCDRN NC(=O)[C@H](Sc1nccs1)c1ccc(F)cc1 ZINC000133232680 780631543 /nfs/dbraw/zinc/63/15/43/780631543.db2.gz FRVWTCRELUHIPI-SECBINFHSA-N 0 0 268.338 2.601 20 10 CFCDRN Cc1ncccc1/C=C/C(=O)N1CCOCc2ccccc21 ZINC001128749304 780795915 /nfs/dbraw/zinc/79/59/15/780795915.db2.gz PQPDALWDEZNMIU-CMDGGOBGSA-N 0 0 294.354 2.967 20 10 CFCDRN CNC(=O)c1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241354883 780805062 /nfs/dbraw/zinc/80/50/62/780805062.db2.gz HPORTQBJXNOSHJ-UHFFFAOYSA-N 0 0 293.370 2.735 20 10 CFCDRN O=c1[nH]cc2[nH]cc(C3=CCN(c4ccccc4)CC3)cc1-2 ZINC001241354900 780805435 /nfs/dbraw/zinc/80/54/35/780805435.db2.gz QIWMVIBXTIIPDG-UHFFFAOYSA-N 0 0 291.354 2.619 20 10 CFCDRN COc1ncc(C)cc1-c1ccn(CC(C)C)c(=O)c1 ZINC001241366807 780818667 /nfs/dbraw/zinc/81/86/67/780818667.db2.gz VHMPEYPXMVRYAY-UHFFFAOYSA-N 0 0 272.348 2.883 20 10 CFCDRN O=c1cc(-c2cnc3cccnc3c2)ccn1CC1CC1 ZINC001241385269 780840301 /nfs/dbraw/zinc/84/03/01/780840301.db2.gz ORULJTAYFGEHHC-UHFFFAOYSA-N 0 0 277.327 2.869 20 10 CFCDRN C[C@@H]([NH2+]CC1SCCS1)c1ccc(F)cc1[O-] ZINC000703057220 780985107 /nfs/dbraw/zinc/98/51/07/780985107.db2.gz AXELBQQWSXFJNB-MRVPVSSYSA-N 0 0 273.398 2.988 20 10 CFCDRN COc1ccc(-c2ccnc3c2ccn3C)c(OC)n1 ZINC001241579382 780995111 /nfs/dbraw/zinc/99/51/11/780995111.db2.gz VCDZYCDXMRGOEF-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN Cc1cnc([C@@H](C)NCc2ccc(F)c(F)c2[O-])o1 ZINC000703229159 780999663 /nfs/dbraw/zinc/99/96/63/780999663.db2.gz HXASTMSQGYQWFP-MRVPVSSYSA-N 0 0 268.263 2.818 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232232 780999986 /nfs/dbraw/zinc/99/99/86/780999986.db2.gz CIFYOAFYLSNJIL-SECBINFHSA-N 0 0 273.323 2.557 20 10 CFCDRN CCOCC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703260854 781001824 /nfs/dbraw/zinc/00/18/24/781001824.db2.gz LUMWVCAXVRTOSK-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703254686 781004276 /nfs/dbraw/zinc/00/42/76/781004276.db2.gz CPHOZLVQUJTFGY-JTQLQIEISA-N 0 0 273.323 2.559 20 10 CFCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258486 781005276 /nfs/dbraw/zinc/00/52/76/781005276.db2.gz GPHOQWCJIVQJCO-GMSGAONNSA-N 0 0 259.321 2.654 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000703294005 781006314 /nfs/dbraw/zinc/00/63/14/781006314.db2.gz GIRJSOVABKAACB-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCSC2)ccc(F)c1F ZINC000703329862 781006551 /nfs/dbraw/zinc/00/65/51/781006551.db2.gz SWMBGNNECDRXJQ-VIFPVBQESA-N 0 0 273.348 2.903 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@]23C[C@H]2CCC3)ccc(F)c1F ZINC000703308094 781007511 /nfs/dbraw/zinc/00/75/11/781007511.db2.gz MMCWELATQCJGRY-YGRLFVJLSA-N 0 0 253.292 2.950 20 10 CFCDRN CC(C)OCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703346564 781008927 /nfs/dbraw/zinc/00/89/27/781008927.db2.gz FLLQTVDRIHSXLO-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN COC1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703393816 781013915 /nfs/dbraw/zinc/01/39/15/781013915.db2.gz FCGLAMVVIARHFJ-UHFFFAOYSA-N 0 0 271.307 2.718 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703592924 781036274 /nfs/dbraw/zinc/03/62/74/781036274.db2.gz JVKFDWMGDSPMOQ-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(F)cn1 ZINC001129018234 781078190 /nfs/dbraw/zinc/07/81/90/781078190.db2.gz NWKGUAMAYMSOPY-VMPITWQZSA-N 0 0 271.295 2.600 20 10 CFCDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001137837371 781140054 /nfs/dbraw/zinc/14/00/54/781140054.db2.gz DJQQNBKZONWCTD-UHFFFAOYSA-N 0 0 287.338 2.701 20 10 CFCDRN CN(C)C(=O)c1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241823854 781145562 /nfs/dbraw/zinc/14/55/62/781145562.db2.gz ZFPXFCUGLRVIJX-UHFFFAOYSA-N 0 0 279.343 2.942 20 10 CFCDRN CC1(O)CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000705972653 781154686 /nfs/dbraw/zinc/15/46/86/781154686.db2.gz YHYXENGJERELJO-UHFFFAOYSA-N 0 0 269.772 2.829 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]C1CC=CC1 ZINC000706829310 781205100 /nfs/dbraw/zinc/20/51/00/781205100.db2.gz WNJURXUGNGPKHU-UHFFFAOYSA-N 0 0 268.154 2.963 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]CC1CSC1 ZINC000706858286 781206266 /nfs/dbraw/zinc/20/62/66/781206266.db2.gz RMBQRXIZNRDGOC-UHFFFAOYSA-N 0 0 288.210 2.607 20 10 CFCDRN Oc1cccc(Br)c1CN1CC[C@@H](F)C1 ZINC000707129636 781226531 /nfs/dbraw/zinc/22/65/31/781226531.db2.gz JWCCDCJDZMOEIW-MRVPVSSYSA-N 0 0 274.133 2.699 20 10 CFCDRN c1cn(Cc2ccccc2)c2ncnc(-c3ccnnc3)c12 ZINC001242047026 781247262 /nfs/dbraw/zinc/24/72/62/781247262.db2.gz RECJURGALUMVKD-UHFFFAOYSA-N 0 0 287.326 2.937 20 10 CFCDRN CNc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001242071691 781264737 /nfs/dbraw/zinc/26/47/37/781264737.db2.gz YXFREKPYQVLVCJ-UHFFFAOYSA-N 0 0 283.253 2.514 20 10 CFCDRN CO[C@]1(C)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414402 781272761 /nfs/dbraw/zinc/27/27/61/781272761.db2.gz RUAGMZQLSGSMJC-CQSZACIVSA-N 0 0 271.307 2.671 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CS1 ZINC000708465229 781276339 /nfs/dbraw/zinc/27/63/39/781276339.db2.gz DWCQQYPYROYUDW-XCBNKYQSSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000708496872 781291351 /nfs/dbraw/zinc/29/13/51/781291351.db2.gz NZCPREOIDBSZQF-YGRLFVJLSA-N 0 0 253.292 2.950 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000708534883 781292029 /nfs/dbraw/zinc/29/20/29/781292029.db2.gz GARGREMHPJTTQQ-UWVGGRQHSA-N 0 0 271.307 2.575 20 10 CFCDRN CC(C)OCCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534924 781292073 /nfs/dbraw/zinc/29/20/73/781292073.db2.gz GSDGTCKQBOVOBS-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708534562 781292153 /nfs/dbraw/zinc/29/21/53/781292153.db2.gz AOBHYMDDRGAECH-BXKDBHETSA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000708535603 781292993 /nfs/dbraw/zinc/29/29/93/781292993.db2.gz NOJYYDAEBVQMOU-VIFPVBQESA-N 0 0 273.348 2.903 20 10 CFCDRN CCc1nnc(CNCc2cccc(CC)c2O)s1 ZINC000709444843 781311215 /nfs/dbraw/zinc/31/12/15/781311215.db2.gz LMFRIZSFNKAVPI-UHFFFAOYSA-N 0 0 277.393 2.658 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000711246126 781401874 /nfs/dbraw/zinc/40/18/74/781401874.db2.gz FUVMTZNNBBDMDT-GHMZBOCLSA-N 0 0 255.745 2.703 20 10 CFCDRN CC1(C)CC[C@@H](CNC(=O)Nc2ccc(N)cc2)OC1 ZINC000711353176 781414606 /nfs/dbraw/zinc/41/46/06/781414606.db2.gz MXIOTAXXGUAIMX-ZDUSSCGKSA-N 0 0 277.368 2.596 20 10 CFCDRN CC(=O)c1ccc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001242399018 781464119 /nfs/dbraw/zinc/46/41/19/781464119.db2.gz WKUVZVBBVVZHGT-UHFFFAOYSA-N 0 0 266.304 2.541 20 10 CFCDRN Cc1ncc(-c2ccn(Cc3ccccc3)c(=O)c2)cc1N ZINC001242413220 781478057 /nfs/dbraw/zinc/47/80/57/781478057.db2.gz RVUPDEBHOHUPQJ-UHFFFAOYSA-N 0 0 291.354 2.849 20 10 CFCDRN COC(C)(C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000711892105 781487076 /nfs/dbraw/zinc/48/70/76/781487076.db2.gz JDLQQVMZPXBNHJ-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN COc1ncc(-c2ccn(CC(C)C)c(=O)c2)cc1C ZINC001242432467 781497888 /nfs/dbraw/zinc/49/78/88/781497888.db2.gz GSRHCELEZRBEHU-UHFFFAOYSA-N 0 0 272.348 2.883 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cncc(N)c3)cc2n1C ZINC001242500872 781548841 /nfs/dbraw/zinc/54/88/41/781548841.db2.gz VSWSWYWIXYCPOF-UHFFFAOYSA-N 0 0 281.315 2.609 20 10 CFCDRN COc1ncc(Cl)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001242508643 781554606 /nfs/dbraw/zinc/55/46/06/781554606.db2.gz JLVOWMUZIXGCQX-UHFFFAOYSA-N 0 0 290.750 2.982 20 10 CFCDRN Cc1oncc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001242602687 781633226 /nfs/dbraw/zinc/63/32/26/781633226.db2.gz MWLZAYIAKCWMPQ-UHFFFAOYSA-N 0 0 284.290 2.999 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2c[nH]c3ncccc23)nn1 ZINC001242861407 781806238 /nfs/dbraw/zinc/80/62/38/781806238.db2.gz LAZYAXWIVFSRDT-UHFFFAOYSA-N 0 0 290.330 2.729 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2cncc(CO)c2)ncn1 ZINC001242969673 781887966 /nfs/dbraw/zinc/88/79/66/781887966.db2.gz HDKDJTVFFIBINM-UHFFFAOYSA-N 0 0 292.342 2.799 20 10 CFCDRN CCc1ncnc(NCc2ccc(N(C)C)c(F)c2)c1F ZINC000301895945 529762196 /nfs/dbraw/zinc/76/21/96/529762196.db2.gz UHBAAWCLLFEQAC-UHFFFAOYSA-N 0 0 292.333 2.995 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041405242 346351210 /nfs/dbraw/zinc/35/12/10/346351210.db2.gz NYEULJIEFJWDRE-DZGCQCFKSA-N 0 0 287.407 2.742 20 10 CFCDRN CCOCCCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000047064263 346444251 /nfs/dbraw/zinc/44/42/51/346444251.db2.gz DRIYCHCJTYBUSN-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccsc1 ZINC000046780643 346433765 /nfs/dbraw/zinc/43/37/65/346433765.db2.gz SWICBXKPSSSOGW-UHFFFAOYSA-N 0 0 290.388 2.838 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1noc2c1CCCC2 ZINC000057174219 346621400 /nfs/dbraw/zinc/62/14/00/346621400.db2.gz ZQIULCAFYGCERD-UHFFFAOYSA-N 0 0 286.331 2.531 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000055877584 346598261 /nfs/dbraw/zinc/59/82/61/346598261.db2.gz ZZFSMNXSURNHFS-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058734182 346649196 /nfs/dbraw/zinc/64/91/96/346649196.db2.gz KDEODFSEPNMMKZ-LBPRGKRZSA-N 0 0 296.386 2.713 20 10 CFCDRN O=C(CSc1nccs1)N1CCc2ccccc2C1 ZINC000060740353 346670845 /nfs/dbraw/zinc/67/08/45/346670845.db2.gz VVRFWRPLPCWVSU-UHFFFAOYSA-N 0 0 290.413 2.820 20 10 CFCDRN CC(C)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646817 346633849 /nfs/dbraw/zinc/63/38/49/346633849.db2.gz SHIAPJVKJJITCN-UHFFFAOYSA-N 0 0 281.375 2.689 20 10 CFCDRN COc1ccc(N2CCN(c3ncccc3F)CC2)cc1 ZINC000084482412 347464878 /nfs/dbraw/zinc/46/48/78/347464878.db2.gz WLIHQSDQYPYOQY-UHFFFAOYSA-N 0 0 287.338 2.556 20 10 CFCDRN CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1Cl ZINC000089635520 347523989 /nfs/dbraw/zinc/52/39/89/347523989.db2.gz SMPBBCMMSXIUCO-UHFFFAOYSA-N 0 0 293.710 2.985 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC=CCC1 ZINC000172628380 348100070 /nfs/dbraw/zinc/10/00/70/348100070.db2.gz YQSQCUDHRPXSOF-MRXNPFEDSA-N 0 0 297.402 2.971 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000295720822 199634730 /nfs/dbraw/zinc/63/47/30/199634730.db2.gz UDOIBZWCDKNTKY-AWEZNQCLSA-N 0 0 290.407 2.828 20 10 CFCDRN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000287585724 540120349 /nfs/dbraw/zinc/12/03/49/540120349.db2.gz HQVWTOYCOHJPDZ-GFCCVEGCSA-N 0 0 284.787 2.565 20 10 CFCDRN C[N@H+](CCCCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294534720 199076541 /nfs/dbraw/zinc/07/65/41/199076541.db2.gz DHTZZJBZOJYYLS-UHFFFAOYSA-N 0 0 275.751 2.779 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCNC(=O)CC2)cc1Cl ZINC000296872159 200021242 /nfs/dbraw/zinc/02/12/42/200021242.db2.gz WFBLUZWXPFVERQ-NSHDSACASA-N 0 0 296.798 2.701 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1=CCCCC1 ZINC000297047044 200071394 /nfs/dbraw/zinc/07/13/94/200071394.db2.gz CAIOPJAKJWNUDS-UHFFFAOYSA-N 0 0 260.337 2.692 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297335036 200153255 /nfs/dbraw/zinc/15/32/55/200153255.db2.gz OFKOJUIMUFPKFH-MRVPVSSYSA-N 0 0 274.267 2.996 20 10 CFCDRN CCC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000297407435 200180401 /nfs/dbraw/zinc/18/04/01/200180401.db2.gz SWZMQWNHELFYJJ-PWSUYJOCSA-N 0 0 282.340 2.766 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCSc2ccncc21 ZINC000493527198 283726075 /nfs/dbraw/zinc/72/60/75/283726075.db2.gz QBXCDLXOQGBLMJ-OWOJBTEDSA-N 0 0 289.385 2.690 20 10 CFCDRN CCn1ccc(-c2cnc(OC)cc2SC)cc1=O ZINC001243050530 781955092 /nfs/dbraw/zinc/95/50/92/781955092.db2.gz PGBLRWZKSYLHMT-UHFFFAOYSA-N 0 0 276.361 2.661 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275104238 299382159 /nfs/dbraw/zinc/38/21/59/299382159.db2.gz FFMRRYHKAWEQMR-COPLHBTASA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187831456 296156172 /nfs/dbraw/zinc/15/61/72/296156172.db2.gz IYPUIJSJXFIGSG-NXEZZACHSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000276944154 296157221 /nfs/dbraw/zinc/15/72/21/296157221.db2.gz PYSSCLJBKCMRIB-HTQZYQBOSA-N 0 0 259.321 2.827 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000035786111 372552539 /nfs/dbraw/zinc/55/25/39/372552539.db2.gz QJMYFHAIZKIBKX-ZBFHGGJFSA-N 0 0 272.392 2.993 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2CC2)cc1F ZINC000066841125 373958750 /nfs/dbraw/zinc/95/87/50/373958750.db2.gz OLLGCVLMGMIYIX-UHFFFAOYSA-N 0 0 264.344 2.698 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(CC)c1 ZINC000114538710 376074693 /nfs/dbraw/zinc/07/46/93/376074693.db2.gz NGLDBNIPEXDDFY-UHFFFAOYSA-N 0 0 287.363 2.661 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000193130418 296253764 /nfs/dbraw/zinc/25/37/64/296253764.db2.gz FYVBZUPMVKFQGP-AAEUAGOBSA-N 0 0 293.388 2.598 20 10 CFCDRN COc1cc(N(C)CCOC(C)C)cc(OC)c1OC ZINC000125712699 377186016 /nfs/dbraw/zinc/18/60/16/377186016.db2.gz BPOVICOPVQKLGX-UHFFFAOYSA-N 0 0 283.368 2.574 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000126458498 377229287 /nfs/dbraw/zinc/22/92/87/377229287.db2.gz DONPDOWPLQHJRB-QMMMGPOBSA-N 0 0 289.253 2.512 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H](C)O ZINC000126824724 377249379 /nfs/dbraw/zinc/24/93/79/377249379.db2.gz ZHUPQKUWEUFFHG-GFCCVEGCSA-N 0 0 292.404 2.608 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000127010308 377259246 /nfs/dbraw/zinc/25/92/46/377259246.db2.gz VTVVSQUUHAUDAT-TXEJJXNPSA-N 0 0 266.360 2.501 20 10 CFCDRN CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000127378463 377277954 /nfs/dbraw/zinc/27/79/54/377277954.db2.gz ZCNUIPRJZZQSDJ-SNVBAGLBSA-N 0 0 278.179 2.950 20 10 CFCDRN COc1cccc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000129672214 377458888 /nfs/dbraw/zinc/45/88/88/377458888.db2.gz ODKWNKFJKVBDRJ-UHFFFAOYSA-N 0 0 279.380 2.649 20 10 CFCDRN COc1ccc(N(C)Cc2ccccn2)c(OC)c1 ZINC000131574354 377732055 /nfs/dbraw/zinc/73/20/55/377732055.db2.gz CSYOLSRSSJOPPB-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000132768528 377875015 /nfs/dbraw/zinc/87/50/15/377875015.db2.gz UQGSFIYKHRQAEX-GXTWGEPZSA-N 0 0 267.756 2.799 20 10 CFCDRN Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC000133899336 377966200 /nfs/dbraw/zinc/96/62/00/377966200.db2.gz MPCFFVILBMFCNA-SECBINFHSA-N 0 0 273.336 2.548 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000151705870 378350094 /nfs/dbraw/zinc/35/00/94/378350094.db2.gz QZAHDROSEZNGPR-KRWDZBQOSA-N 0 0 294.398 2.903 20 10 CFCDRN Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)c(O)c1O ZINC000177670634 380366004 /nfs/dbraw/zinc/36/60/04/380366004.db2.gz WIKQSTLWCKBNFL-UHFFFAOYSA-N 0 0 290.344 2.992 20 10 CFCDRN Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccccc1 ZINC000177412761 380340583 /nfs/dbraw/zinc/34/05/83/380340583.db2.gz GZVAMMQYLSTENS-ZDUSSCGKSA-N 0 0 286.375 2.547 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000178464657 380452887 /nfs/dbraw/zinc/45/28/87/380452887.db2.gz QFPWUIOKRVRKIZ-STQMWFEESA-N 0 0 275.396 2.693 20 10 CFCDRN O=C(COc1ccc(N2CCCC2)cc1)N1CCCCC1 ZINC000178193837 380419509 /nfs/dbraw/zinc/41/95/09/380419509.db2.gz XKPAXQBZMXDHJV-UHFFFAOYSA-N 0 0 288.391 2.678 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179130622 380512441 /nfs/dbraw/zinc/51/24/41/380512441.db2.gz YVFMGEQBVDAJSU-OAHLLOKOSA-N 0 0 272.392 2.949 20 10 CFCDRN Cc1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)c(O)c1O ZINC000179525735 380551811 /nfs/dbraw/zinc/55/18/11/380551811.db2.gz NHEZMUDCCYXDFS-GFCCVEGCSA-N 0 0 295.404 2.620 20 10 CFCDRN Oc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179587027 380560486 /nfs/dbraw/zinc/56/04/86/380560486.db2.gz DCSMWMGYDVSDDP-PBHICJAKSA-N 0 0 286.419 2.841 20 10 CFCDRN CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000179975052 380605427 /nfs/dbraw/zinc/60/54/27/380605427.db2.gz MTHIYOSPCQVTIL-ZDUSSCGKSA-N 0 0 253.317 2.532 20 10 CFCDRN CCn1nccc1CN(C)c1ccc(OC)c(F)c1 ZINC000180774684 380697741 /nfs/dbraw/zinc/69/77/41/380697741.db2.gz WCIOBURLNGTVLQ-UHFFFAOYSA-N 0 0 263.316 2.687 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C)nc2C)cc1F ZINC000180773110 380698018 /nfs/dbraw/zinc/69/80/18/380698018.db2.gz MZDDPEYDHDURAU-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN CC[C@@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180769598 380698321 /nfs/dbraw/zinc/69/83/21/380698321.db2.gz ZIOITHVTLZVEEX-LXSSAFMLSA-N 0 0 263.337 2.616 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000180426608 380656329 /nfs/dbraw/zinc/65/63/29/380656329.db2.gz JBLBNIGTCWJYCK-ZDUSSCGKSA-N 0 0 267.756 2.656 20 10 CFCDRN CC(C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181250030 380764995 /nfs/dbraw/zinc/76/49/95/380764995.db2.gz JPIUTSWAXLEYQZ-ZRQQLDRUSA-N 0 0 263.337 2.662 20 10 CFCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000181084502 380736543 /nfs/dbraw/zinc/73/65/43/380736543.db2.gz JCYKBXBXZJXYIP-MXMFLMJRSA-N 0 0 275.348 2.806 20 10 CFCDRN C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC000181119144 380744034 /nfs/dbraw/zinc/74/40/34/380744034.db2.gz VLLFDGPLKKFIRG-BIVWETNQSA-N 0 0 275.348 2.758 20 10 CFCDRN C[C@@H]1CC[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181144648 380748292 /nfs/dbraw/zinc/74/82/92/380748292.db2.gz CDEAFOHSGIBCBN-OWVOXGNYSA-N 0 0 275.348 2.758 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2CCC[C@@H]2OC)s1 ZINC000295409172 380834150 /nfs/dbraw/zinc/83/41/50/380834150.db2.gz XFUMERCZOVXAEM-JGVFFNPUSA-N 0 0 273.379 2.589 20 10 CFCDRN CC[C@H]([NH2+]CCN1CC=CCC1)c1ccc(F)cc1[O-] ZINC000287687802 380910540 /nfs/dbraw/zinc/91/05/40/380910540.db2.gz WNINHAIZLIWQSO-HNNXBMFYSA-N 0 0 278.371 2.834 20 10 CFCDRN CCOC1CC(O)(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000287713525 380917743 /nfs/dbraw/zinc/91/77/43/380917743.db2.gz XSQBBRNZYGIGDH-UGWHAMFMSA-N 0 0 297.370 2.502 20 10 CFCDRN C[C@@H]1C[C@H](C)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295557322 380939404 /nfs/dbraw/zinc/93/94/04/380939404.db2.gz VGDNTEBFFQVOJK-NXEZZACHSA-N 0 0 281.327 2.745 20 10 CFCDRN Cc1ccc(C(=O)N(CC(C)C)C(C)C)c(O)c1O ZINC000182275539 381046687 /nfs/dbraw/zinc/04/66/87/381046687.db2.gz VCYDBBVEHSDGPJ-UHFFFAOYSA-N 0 0 265.353 2.913 20 10 CFCDRN Cc1cc(C(=O)NOC(C)C)c(C)n1-c1ccccn1 ZINC000295741980 381048090 /nfs/dbraw/zinc/04/80/90/381048090.db2.gz SXDGAEMGSDZCDM-UHFFFAOYSA-N 0 0 273.336 2.559 20 10 CFCDRN CSCCCCCNC(=O)c1c(F)ccc(O)c1O ZINC000295807287 381088934 /nfs/dbraw/zinc/08/89/34/381088934.db2.gz TUMJSBIECXRBNQ-UHFFFAOYSA-N 0 0 287.356 2.500 20 10 CFCDRN CC(C)CC1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000182538703 381109018 /nfs/dbraw/zinc/10/90/18/381109018.db2.gz IGFUJKQFBMONFI-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccccc2)CC1 ZINC000182541364 381109455 /nfs/dbraw/zinc/10/94/55/381109455.db2.gz NMADCOUORGHQTQ-UHFFFAOYSA-N 0 0 297.354 2.737 20 10 CFCDRN C[C@@H](CC1CCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182550175 381111575 /nfs/dbraw/zinc/11/15/75/381111575.db2.gz OMGQBTNRTNBLLX-NSHDSACASA-N 0 0 277.364 2.930 20 10 CFCDRN COc1nccnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000295924467 381161234 /nfs/dbraw/zinc/16/12/34/381161234.db2.gz AGRHCBIFNJZCSC-UHFFFAOYSA-N 0 0 287.363 2.909 20 10 CFCDRN CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295976982 381195382 /nfs/dbraw/zinc/19/53/82/381195382.db2.gz MZCTZPYKPVXYLY-ZFWWWQNUSA-N 0 0 274.408 2.701 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000296020698 381214937 /nfs/dbraw/zinc/21/49/37/381214937.db2.gz OEORDECZZLARSW-AWEZNQCLSA-N 0 0 290.407 2.826 20 10 CFCDRN CC(C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183455406 381273366 /nfs/dbraw/zinc/27/33/66/381273366.db2.gz VJEZWOQRZACFDV-LLVKDONJSA-N 0 0 265.353 2.581 20 10 CFCDRN Cc1ccc(O)c(C[N@H+](C)CCc2ccncc2)c1 ZINC000183757719 381315723 /nfs/dbraw/zinc/31/57/23/381315723.db2.gz JSEDNZWHKNODQP-UHFFFAOYSA-N 0 0 256.349 2.770 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296508300 381426781 /nfs/dbraw/zinc/42/67/81/381426781.db2.gz PJZOQEQSJYBMQB-BDAKNGLRSA-N 0 0 273.323 2.871 20 10 CFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296533998 381437796 /nfs/dbraw/zinc/43/77/96/381437796.db2.gz QPMFXEPRGFVXFE-UWVGGRQHSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1c(C(=O)NCc2ccc(N)cc2)oc2c1C(=O)CCC2 ZINC000297358136 381559309 /nfs/dbraw/zinc/55/93/09/381559309.db2.gz ZSGNJMFBVUSXSF-UHFFFAOYSA-N 0 0 298.342 2.619 20 10 CFCDRN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185540247 381662350 /nfs/dbraw/zinc/66/23/50/381662350.db2.gz GOYRPJNEUZYBTN-JTQLQIEISA-N 0 0 283.343 2.914 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000371527843 381652725 /nfs/dbraw/zinc/65/27/25/381652725.db2.gz JEVDKNUJPGYJAE-KBPBESRZSA-N 0 0 265.328 2.675 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185652197 381693832 /nfs/dbraw/zinc/69/38/32/381693832.db2.gz GNPSMLYRWIGVJW-JSGCOSHPSA-N 0 0 289.350 2.958 20 10 CFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)[nH]n1 ZINC000298775882 381746959 /nfs/dbraw/zinc/74/69/59/381746959.db2.gz HLIOIVOSJIRLMC-UHFFFAOYSA-N 0 0 298.390 2.589 20 10 CFCDRN Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c(O)c1O ZINC000291828462 381773402 /nfs/dbraw/zinc/77/34/02/381773402.db2.gz FPLWTVJSZJFIJO-OAHLLOKOSA-N 0 0 287.359 2.811 20 10 CFCDRN CCC(=CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)CC ZINC000186406197 381902383 /nfs/dbraw/zinc/90/23/83/381902383.db2.gz DPMUYJIQMVHADH-NSHDSACASA-N 0 0 277.364 2.891 20 10 CFCDRN Fc1cccc2c1[C@@H](NCc1ccc3c(c1)CCO3)CO2 ZINC000373285908 381969853 /nfs/dbraw/zinc/96/98/53/381969853.db2.gz QKNWAQLSTROOPM-AWEZNQCLSA-N 0 0 285.318 2.984 20 10 CFCDRN Cc1nc(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)no1 ZINC000373122017 381933848 /nfs/dbraw/zinc/93/38/48/381933848.db2.gz DOPJGBHFGILTHV-UHFFFAOYSA-N 0 0 291.326 2.602 20 10 CFCDRN Cc1nc([C@@H]2CCCCN2Cc2cc(F)ccc2O)no1 ZINC000376169173 382123154 /nfs/dbraw/zinc/12/31/54/382123154.db2.gz ZTOZHILBNDPEOS-ZDUSSCGKSA-N 0 0 291.326 2.950 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375354337 382081442 /nfs/dbraw/zinc/08/14/42/382081442.db2.gz FUVMCOBSWRBCDH-HNNXBMFYSA-N 0 0 270.380 2.813 20 10 CFCDRN CN1CCc2cc(CNC(=O)C[C@@H]3C=CCC3)ccc21 ZINC000375370235 382083945 /nfs/dbraw/zinc/08/39/45/382083945.db2.gz ODSQYHRKAPRSPR-CYBMUJFWSA-N 0 0 270.376 2.651 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1Cc1ccccc1 ZINC000187213773 382130149 /nfs/dbraw/zinc/13/01/49/382130149.db2.gz BYNYTHFJYGEJOS-CQSZACIVSA-N 0 0 297.354 2.945 20 10 CFCDRN COc1ccc(N2CCC(Nc3ncc(C)cn3)CC2)cc1 ZINC000301814687 382195457 /nfs/dbraw/zinc/19/54/57/382195457.db2.gz GGWRARFGWJHUGK-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187488635 382195533 /nfs/dbraw/zinc/19/55/33/382195533.db2.gz ZQJNEMBFSDRGAM-KGLIPLIRSA-N 0 0 288.391 2.770 20 10 CFCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]1c1cccnc1 ZINC000293667808 382223903 /nfs/dbraw/zinc/22/39/03/382223903.db2.gz GEUYODYTDWMSDD-OAHLLOKOSA-N 0 0 298.342 2.716 20 10 CFCDRN CC(C)(CC(=O)NCCc1ccc(O)c(O)c1)C1CC1 ZINC000293589491 382187635 /nfs/dbraw/zinc/18/76/35/382187635.db2.gz DANKHFOBOLSCDX-UHFFFAOYSA-N 0 0 277.364 2.583 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000293720688 382250039 /nfs/dbraw/zinc/25/00/39/382250039.db2.gz NPTYWJJERCSVIL-OTYXRUKQSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187729211 382257745 /nfs/dbraw/zinc/25/77/45/382257745.db2.gz XRSJLNKCMHSPCC-CWSCBRNRSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(F)c(F)c1[O-] ZINC000187741385 382261346 /nfs/dbraw/zinc/26/13/46/382261346.db2.gz MDEYQUOBSVKOBY-VIFPVBQESA-N 0 0 273.323 2.730 20 10 CFCDRN Cc1cnn(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187764752 382264399 /nfs/dbraw/zinc/26/43/99/382264399.db2.gz OLULOJPPQZLGBL-SNVBAGLBSA-N 0 0 281.306 2.526 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000377633982 382307032 /nfs/dbraw/zinc/30/70/32/382307032.db2.gz WESRWBMANAPYOP-DYVFJYSZSA-N 0 0 291.391 2.964 20 10 CFCDRN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293893993 382326445 /nfs/dbraw/zinc/32/64/45/382326445.db2.gz DWMZXSOLEXJFRQ-OTYXRUKQSA-N 0 0 287.762 2.825 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364610819 382337492 /nfs/dbraw/zinc/33/74/92/382337492.db2.gz XAJWZVAFINLYKL-LBPRGKRZSA-N 0 0 292.335 2.683 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3ccoc3Cl)ccc21 ZINC000365481032 382400058 /nfs/dbraw/zinc/40/00/58/382400058.db2.gz DRXULMXAELOAOV-UHFFFAOYSA-N 0 0 290.750 2.855 20 10 CFCDRN CC(C)[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378127075 382402957 /nfs/dbraw/zinc/40/29/57/382402957.db2.gz FYKVTCXUFRWJKM-HNNXBMFYSA-N 0 0 283.799 2.886 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000294223458 382467157 /nfs/dbraw/zinc/46/71/57/382467157.db2.gz LZZYSVKYFMOKOC-UONOGXRCSA-N 0 0 298.789 2.901 20 10 CFCDRN CCc1ncnc(N2CC=C(c3cccnc3)CC2)c1F ZINC000378525873 382479869 /nfs/dbraw/zinc/47/98/69/382479869.db2.gz IHDDGAVGQPZENW-UHFFFAOYSA-N 0 0 284.338 2.867 20 10 CFCDRN COC[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294257694 382482199 /nfs/dbraw/zinc/48/21/99/382482199.db2.gz QNFAGWRKHQHEDJ-CQSZACIVSA-N 0 0 269.772 2.904 20 10 CFCDRN c1cc(N2CCCCC2)ccc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366515329 382523707 /nfs/dbraw/zinc/52/37/07/382523707.db2.gz DJMHOZDALSTVEZ-DLBZAZTESA-N 0 0 272.392 2.650 20 10 CFCDRN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000294431677 382512900 /nfs/dbraw/zinc/51/29/00/382512900.db2.gz ZUCUZNYSTRHRJR-YPMHNXCESA-N 0 0 283.375 2.970 20 10 CFCDRN Cc1ncsc1CC[NH2+]Cc1cccc(F)c1[O-] ZINC000294917168 382543350 /nfs/dbraw/zinc/54/33/50/382543350.db2.gz FHDNRUSICITYMR-UHFFFAOYSA-N 0 0 266.341 2.629 20 10 CFCDRN CC1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295014115 382562681 /nfs/dbraw/zinc/56/26/81/382562681.db2.gz QCFDIAYHMKNRDV-UHFFFAOYSA-N 0 0 281.327 2.889 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000295054992 382569165 /nfs/dbraw/zinc/56/91/65/382569165.db2.gz YCNDHEMUVDFFPE-SECBINFHSA-N 0 0 281.327 2.745 20 10 CFCDRN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274047 382605152 /nfs/dbraw/zinc/60/51/52/382605152.db2.gz HWOJMMUSYAMPOM-MWLCHTKSSA-N 0 0 287.762 2.920 20 10 CFCDRN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274037 382605600 /nfs/dbraw/zinc/60/56/00/382605600.db2.gz HWOJMMUSYAMPOM-GXSJLCMTSA-N 0 0 287.762 2.920 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000295199554 382581019 /nfs/dbraw/zinc/58/10/19/382581019.db2.gz KPCJUYWQRLRCQZ-CYBMUJFWSA-N 0 0 297.782 2.905 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000246942161 383124079 /nfs/dbraw/zinc/12/40/79/383124079.db2.gz OIFLUSBCTXJPHB-COPLHBTASA-N 0 0 267.344 2.733 20 10 CFCDRN COc1nccnc1CNCc1c(C)c2ccccc2n1C ZINC000449293437 383203946 /nfs/dbraw/zinc/20/39/46/383203946.db2.gz HGDJFTMFVMNJFD-UHFFFAOYSA-N 0 0 296.374 2.575 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCSc3ccncc32)c1 ZINC000255524088 383483242 /nfs/dbraw/zinc/48/32/42/383483242.db2.gz VTCDOFYEPNLKQJ-IHWYPQMZSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)c(O)c1O ZINC000530011706 383763587 /nfs/dbraw/zinc/76/35/87/383763587.db2.gz NBWIKXMLNJTQEG-SECBINFHSA-N 0 0 285.290 2.666 20 10 CFCDRN CC1(C)C[C@H](C(=O)NCc2ccccc2O)C(C)(C)O1 ZINC000528855997 383663036 /nfs/dbraw/zinc/66/30/36/383663036.db2.gz WPALCWXAVSTCOR-GFCCVEGCSA-N 0 0 277.364 2.602 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccon2)c1O ZINC000267384476 384374835 /nfs/dbraw/zinc/37/48/35/384374835.db2.gz NFBYWROKOKKMCQ-UHFFFAOYSA-N 0 0 294.738 2.868 20 10 CFCDRN CCCCN(CC)C(=O)c1ccc(C)c(O)c1O ZINC000267548445 384413221 /nfs/dbraw/zinc/41/32/21/384413221.db2.gz CFMYIBYVNLROFL-UHFFFAOYSA-N 0 0 251.326 2.668 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C)c1 ZINC000268570017 384632768 /nfs/dbraw/zinc/63/27/68/384632768.db2.gz BOMNOUWQJCVOHA-UHFFFAOYSA-N 0 0 285.391 2.753 20 10 CFCDRN CC[C@H](N[C@@H](C)c1nncn1C)c1ccc(N(C)C)cc1 ZINC000268833981 384673490 /nfs/dbraw/zinc/67/34/90/384673490.db2.gz CVVTVQICCAFOGB-WFASDCNBSA-N 0 0 287.411 2.683 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC1(Cl)Cl ZINC000268649189 384641960 /nfs/dbraw/zinc/64/19/60/384641960.db2.gz QYLNSVAEDLSTBN-VIFPVBQESA-N 0 0 274.147 2.544 20 10 CFCDRN CC(C)CONC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269695016 384839166 /nfs/dbraw/zinc/83/91/66/384839166.db2.gz JQBJTHGLJGAHMK-UHFFFAOYSA-N 0 0 291.395 2.674 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCO ZINC000269737792 384856885 /nfs/dbraw/zinc/85/68/85/384856885.db2.gz XVWKRVKLIBAPFJ-JTQLQIEISA-N 0 0 292.404 2.656 20 10 CFCDRN CN(C)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000269982232 384928939 /nfs/dbraw/zinc/92/89/39/384928939.db2.gz NGWCSVZTWDXCGU-UHFFFAOYSA-N 0 0 291.782 2.796 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(NCC2CC2)nc1 ZINC000282238436 385257830 /nfs/dbraw/zinc/25/78/30/385257830.db2.gz UUESPZSDFKOVQU-UHFFFAOYSA-N 0 0 297.358 2.539 20 10 CFCDRN CC(C)c1nnc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000282432105 385309395 /nfs/dbraw/zinc/30/93/95/385309395.db2.gz MVEJVNIOQRYJBQ-UHFFFAOYSA-N 0 0 291.376 2.639 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CO)CC1 ZINC000271046567 385318579 /nfs/dbraw/zinc/31/85/79/385318579.db2.gz RIQPLRGCEVMLHJ-UHFFFAOYSA-N 0 0 290.190 2.903 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCOCC ZINC000282520742 385332996 /nfs/dbraw/zinc/33/29/96/385332996.db2.gz PMQZTPUBTAAOQV-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC[C@H]1O ZINC000271874449 385395790 /nfs/dbraw/zinc/39/57/90/385395790.db2.gz SSXVDOQBEPBXIG-ZWNOBZJWSA-N 0 0 269.772 2.638 20 10 CFCDRN CN(C)c1ncnc(Cl)c1CSc1nccs1 ZINC000282902830 385408228 /nfs/dbraw/zinc/40/82/28/385408228.db2.gz FDBPODSPBVZXMC-UHFFFAOYSA-N 0 0 286.813 2.945 20 10 CFCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1[O-] ZINC000272331475 385512708 /nfs/dbraw/zinc/51/27/08/385512708.db2.gz WQCBUXZPTBXRAO-UHFFFAOYSA-N 0 0 289.306 2.892 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC000285680870 385557067 /nfs/dbraw/zinc/55/70/67/385557067.db2.gz NWDFHXHJQDDOIZ-IUODEOHRSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccc(F)cc1[O-] ZINC000286003740 385559534 /nfs/dbraw/zinc/55/95/34/385559534.db2.gz IVNPVKNHMSGXSL-OCCSQVGLSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286121495 385562070 /nfs/dbraw/zinc/56/20/70/385562070.db2.gz OCZRZOSXHDYYCU-AAEUAGOBSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286150860 385564840 /nfs/dbraw/zinc/56/48/40/385564840.db2.gz PKWIEYKBDASRMU-RISCZKNCSA-N 0 0 269.360 2.981 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2C(C)C)c(O)c1O ZINC000272869401 385637747 /nfs/dbraw/zinc/63/77/47/385637747.db2.gz VZKRLCFCDJUDPQ-LBPRGKRZSA-N 0 0 263.337 2.667 20 10 CFCDRN CC[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272876820 385639232 /nfs/dbraw/zinc/63/92/32/385639232.db2.gz UUKSCOURDXPZFE-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364242 385679179 /nfs/dbraw/zinc/67/91/79/385679179.db2.gz BADJEECKBDOERG-ZJUUUORDSA-N 0 0 282.365 2.847 20 10 CFCDRN CC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273441233 385682582 /nfs/dbraw/zinc/68/25/82/385682582.db2.gz YKBBDUIERYZOGU-UWVGGRQHSA-N 0 0 251.326 2.628 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273426600 385682787 /nfs/dbraw/zinc/68/27/87/385682787.db2.gz UHSLSUQPBLBSFJ-UWVGGRQHSA-N 0 0 255.745 2.733 20 10 CFCDRN CCOCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420979 385682842 /nfs/dbraw/zinc/68/28/42/385682842.db2.gz SAWDKKQQIYGCNL-LLVKDONJSA-N 0 0 282.340 2.768 20 10 CFCDRN CSCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273558536 385688077 /nfs/dbraw/zinc/68/80/77/385688077.db2.gz HMTDICBDQKHQMQ-VIFPVBQESA-N 0 0 270.354 2.704 20 10 CFCDRN CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273613439 385691325 /nfs/dbraw/zinc/69/13/25/385691325.db2.gz WUEJELBHLSHDPP-GWMXKSKGSA-N 0 0 294.370 2.629 20 10 CFCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000286867617 385728209 /nfs/dbraw/zinc/72/82/09/385728209.db2.gz HANSEDNNMJCJIE-CABZTGNLSA-N 0 0 284.787 2.611 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCN3C)c(C)n1 ZINC000372310081 393446768 /nfs/dbraw/zinc/44/67/68/393446768.db2.gz RLRADQJVBBWGCD-UHFFFAOYSA-N 0 0 295.386 2.621 20 10 CFCDRN C[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374282413 393490974 /nfs/dbraw/zinc/49/09/74/393490974.db2.gz GWHCWQSELOOHSS-LRDDRELGSA-N 0 0 270.376 2.634 20 10 CFCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2C2CC2)c1O ZINC000184698532 393529982 /nfs/dbraw/zinc/52/99/82/393529982.db2.gz DEANAYCSBRNHLB-ZDUSSCGKSA-N 0 0 297.782 2.665 20 10 CFCDRN CCc1noc([C@@H](C)N(C)Cc2ccccc2O)n1 ZINC000109772663 393879386 /nfs/dbraw/zinc/87/93/86/393879386.db2.gz AJQWSUMHEVQSEV-SNVBAGLBSA-N 0 0 261.325 2.531 20 10 CFCDRN COCCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348663384 393955430 /nfs/dbraw/zinc/95/54/30/393955430.db2.gz SWIHENMZBSAJLT-UHFFFAOYSA-N 0 0 288.391 2.920 20 10 CFCDRN CCOCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348638309 393955776 /nfs/dbraw/zinc/95/57/76/393955776.db2.gz YOBHTZDKHLNGAV-UHFFFAOYSA-N 0 0 288.391 2.920 20 10 CFCDRN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744224 394022989 /nfs/dbraw/zinc/02/29/89/394022989.db2.gz AOQDIKXUQUNUKF-JQWIXIFHSA-N 0 0 269.772 2.781 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccccc2O)cc1 ZINC000121971057 393963441 /nfs/dbraw/zinc/96/34/41/393963441.db2.gz LMTQTMAWAJXBDA-UHFFFAOYSA-N 0 0 298.386 2.659 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCCc2cccc(O)c21 ZINC000492949490 394105480 /nfs/dbraw/zinc/10/54/80/394105480.db2.gz HVTNIMPTJYYOGF-VOTSOKGWSA-N 0 0 286.356 2.841 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccnc1N(C)C ZINC000492503311 394069499 /nfs/dbraw/zinc/06/94/99/394069499.db2.gz QKWUASQBRQCWES-FPLPWBNLSA-N 0 0 296.374 2.527 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCSc2ncccc21 ZINC000492495536 394069518 /nfs/dbraw/zinc/06/95/18/394069518.db2.gz XFUGEMIMQSWTEW-PLNGDYQASA-N 0 0 297.383 2.937 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)nc1 ZINC000492565508 394071155 /nfs/dbraw/zinc/07/11/55/394071155.db2.gz LSCAUBVEMDBCPP-FNORWQNLSA-N 0 0 289.360 2.531 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C/c2cnccn2)c2c(O)cccc21 ZINC000492568009 394071502 /nfs/dbraw/zinc/07/15/02/394071502.db2.gz RHESTTNDMRHUJK-FYJFLYSWSA-N 0 0 295.342 2.736 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccnc(C)c2)c1 ZINC000492633633 394073383 /nfs/dbraw/zinc/07/33/83/394073383.db2.gz PIEAYQBXNXHRND-PLNGDYQASA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCOCc2ccccc21 ZINC000492683286 394074912 /nfs/dbraw/zinc/07/49/12/394074912.db2.gz VOKDKRCGDDAXDH-WAYWQWQTSA-N 0 0 298.317 2.797 20 10 CFCDRN COc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)CCCC2 ZINC000492869063 394085760 /nfs/dbraw/zinc/08/57/60/394085760.db2.gz UBSHBDLIOYFOLN-VURMDHGXSA-N 0 0 297.358 2.801 20 10 CFCDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273350615 394035027 /nfs/dbraw/zinc/03/50/27/394035027.db2.gz BOYCXSGRCMNUSC-IAQYHMDHSA-N 0 0 281.371 2.979 20 10 CFCDRN Cc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)nn1C ZINC000282015287 394110868 /nfs/dbraw/zinc/11/08/68/394110868.db2.gz DUGRPZUYTATAOC-GFCCVEGCSA-N 0 0 290.386 2.784 20 10 CFCDRN CN(C(=O)/C=C/c1cnccn1)c1ccc(Cl)cc1F ZINC000493016178 394124854 /nfs/dbraw/zinc/12/48/54/394124854.db2.gz LBPRZHUOMDJSKD-HWKANZROSA-N 0 0 291.713 2.945 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n(C)n1 ZINC000284062026 394135149 /nfs/dbraw/zinc/13/51/49/394135149.db2.gz MSNHYCRPEKCOTM-ZDUSSCGKSA-N 0 0 273.380 2.902 20 10 CFCDRN Cc1cnc(C)c(NCc2ccc3c(c2)CCN3C)n1 ZINC000364414340 394210517 /nfs/dbraw/zinc/21/05/17/394210517.db2.gz IPGRNQZJRPYLCQ-UHFFFAOYSA-N 0 0 268.364 2.698 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@H]21 ZINC000365238539 394230024 /nfs/dbraw/zinc/23/00/24/394230024.db2.gz AVTRSVHYDSXJCJ-GXFFZTMASA-N 0 0 298.789 2.711 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000365238538 394230182 /nfs/dbraw/zinc/23/01/82/394230182.db2.gz AVTRSVHYDSXJCJ-GWCFXTLKSA-N 0 0 298.789 2.711 20 10 CFCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1ccc(F)cc1 ZINC000493856566 394331433 /nfs/dbraw/zinc/33/14/33/394331433.db2.gz ZZMDTMDYEZPJCT-FPYGCLRLSA-N 0 0 258.296 2.840 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCc2c1cccc2F ZINC000493616482 394292026 /nfs/dbraw/zinc/29/20/26/394292026.db2.gz KZTPPVXSGIXCDK-PLNGDYQASA-N 0 0 274.320 2.885 20 10 CFCDRN CCCCO[C@@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372246496 394308434 /nfs/dbraw/zinc/30/84/34/394308434.db2.gz DQYWNMMDYNFTQF-ZDUSSCGKSA-N 0 0 290.407 2.500 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296502339 394309900 /nfs/dbraw/zinc/30/99/00/394309900.db2.gz PBWPKJLLTJDNOP-ZANVPECISA-N 0 0 280.324 2.519 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H](C)CC2)c(O)c1O ZINC000177677156 292054078 /nfs/dbraw/zinc/05/40/78/292054078.db2.gz QHSXDZZBVMDAEU-JTQLQIEISA-N 0 0 263.337 2.668 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC=C(F)C2)cc1OC ZINC000272547451 286248487 /nfs/dbraw/zinc/24/84/87/286248487.db2.gz QQPYYPUCEZPFLD-UHFFFAOYSA-N 0 0 282.271 2.676 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000282709080 292249196 /nfs/dbraw/zinc/24/91/96/292249196.db2.gz LHWFMLKNDZUOOS-LLVKDONJSA-N 0 0 294.351 2.768 20 10 CFCDRN Cc1ccc2c(c1)CCCN2C(=O)C=Cc1c[nH]cn1 ZINC000276487890 292307269 /nfs/dbraw/zinc/30/72/69/292307269.db2.gz FWPMXEPQRUSTAR-FNORWQNLSA-N 0 0 267.332 2.711 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000295037789 286920962 /nfs/dbraw/zinc/92/09/62/286920962.db2.gz PDNZYAMMLJEPQD-TVQRCGJNSA-N 0 0 282.340 2.501 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2c(C)nn(C)c2C)c1 ZINC000020135179 171022538 /nfs/dbraw/zinc/02/25/38/171022538.db2.gz LBMRISNEIKPQPV-VIFPVBQESA-N 0 0 275.352 2.924 20 10 CFCDRN COCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020142597 171028266 /nfs/dbraw/zinc/02/82/66/171028266.db2.gz JQWZODZXDISMKP-UHFFFAOYSA-N 0 0 264.152 2.825 20 10 CFCDRN CC(C)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000038437038 174141279 /nfs/dbraw/zinc/14/12/79/174141279.db2.gz ARDWPGKUNNUACS-GQCTYLIASA-N 0 0 250.294 2.700 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncs1 ZINC000352079315 228180531 /nfs/dbraw/zinc/18/05/31/228180531.db2.gz IPZKKHYZOLCUMU-UHFFFAOYSA-N 0 0 285.372 2.873 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000037322619 260089187 /nfs/dbraw/zinc/08/91/87/260089187.db2.gz BSUXPXQGVZVSDT-AOOOYVTPSA-N 0 0 297.782 2.857 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000934940792 649859451 /nfs/dbraw/zinc/85/94/51/649859451.db2.gz AMXXIDRHPJLQHP-XYYAHUGASA-N 0 0 289.375 2.843 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@@H](CO)Cc3ccccc32)c1 ZINC000367798331 267118163 /nfs/dbraw/zinc/11/81/63/267118163.db2.gz QDMHHEXZODBCLH-AWEZNQCLSA-N 0 0 283.371 2.872 20 10 CFCDRN CC[C@@H](Nc1cnccc1-n1ccnn1)c1ccccc1O ZINC000368035470 267139331 /nfs/dbraw/zinc/13/93/31/267139331.db2.gz GEENMOYSXZBUGM-CYBMUJFWSA-N 0 0 295.346 2.931 20 10 CFCDRN C[C@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC000368034851 267139499 /nfs/dbraw/zinc/13/94/99/267139499.db2.gz GCDHPEZBZVHACP-ONGXEEELSA-N 0 0 287.315 2.744 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCN3C)c(C)o1 ZINC000372238725 267533230 /nfs/dbraw/zinc/53/32/30/267533230.db2.gz YHHUOXVPROYBST-UHFFFAOYSA-N 0 0 284.359 2.819 20 10 CFCDRN CN(CCC1CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372467542 267569480 /nfs/dbraw/zinc/56/94/80/267569480.db2.gz WFALYSMYDZXXDN-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)c2nccn21 ZINC000294138367 274392904 /nfs/dbraw/zinc/39/29/04/274392904.db2.gz PAYMOPHZMJYQDL-IUODEOHRSA-N 0 0 270.380 2.745 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cccc(OCC)c1O ZINC000092380418 276250180 /nfs/dbraw/zinc/25/01/80/276250180.db2.gz UOCAAHWZYPDDQT-UHFFFAOYSA-N 0 0 295.379 2.566 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000263693597 277306605 /nfs/dbraw/zinc/30/66/05/277306605.db2.gz KHEVUCIWTOXYLD-MALLOTDXSA-N 0 0 290.319 2.627 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(OC)nn1 ZINC000283165504 277434357 /nfs/dbraw/zinc/43/43/57/277434357.db2.gz PETBXIPBAVTIKB-UHFFFAOYSA-N 0 0 299.374 2.837 20 10 CFCDRN CC[C@H]([NH2+]CC(=O)NCC1CC1)c1cccc(Cl)c1[O-] ZINC000287290174 288036336 /nfs/dbraw/zinc/03/63/36/288036336.db2.gz BWVWBFLHVMLOSZ-ZDUSSCGKSA-N 0 0 296.798 2.613 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)CO)c1cccc(Cl)c1[O-] ZINC000287850865 288043120 /nfs/dbraw/zinc/04/31/20/288043120.db2.gz WTTALXHHSQECHP-SKDRFNHKSA-N 0 0 257.761 2.715 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187488616 280025057 /nfs/dbraw/zinc/02/50/57/280025057.db2.gz ZQJNEMBFSDRGAM-KBPBESRZSA-N 0 0 288.391 2.770 20 10 CFCDRN Cc1ccncc1C1=CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000364308559 281483024 /nfs/dbraw/zinc/48/30/24/281483024.db2.gz MVWQKFGAZUJSAW-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000237603498 289084393 /nfs/dbraw/zinc/08/43/93/289084393.db2.gz JNSYRJIYYOSGLV-BMIGLBTASA-N 0 0 268.316 2.772 20 10 CFCDRN CN1CC[C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000272540664 290158496 /nfs/dbraw/zinc/15/84/96/290158496.db2.gz BWRXYVPIYIPRTH-BXUZGUMPSA-N 0 0 280.799 2.572 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375806018 327712021 /nfs/dbraw/zinc/71/20/21/327712021.db2.gz OGIPLCYCBIIZMJ-RTCCRHLQSA-N 0 0 288.174 2.681 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(F)c(F)c2)cnn1C ZINC000160921974 328094565 /nfs/dbraw/zinc/09/45/65/328094565.db2.gz ITYGUAWVQGWNNM-QPJJXVBHSA-N 0 0 291.301 2.683 20 10 CFCDRN CN1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000110476814 328130326 /nfs/dbraw/zinc/13/03/26/328130326.db2.gz FAYAXHKZHMSODL-VOTSOKGWSA-N 0 0 297.333 2.717 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000153165842 326794904 /nfs/dbraw/zinc/79/49/04/326794904.db2.gz AWKXWLKVJCDYBK-CMDGGOBGSA-N 0 0 299.349 2.963 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2ccccc21 ZINC000255764898 327013483 /nfs/dbraw/zinc/01/34/83/327013483.db2.gz AYLOQDSTOZGWAR-WAYWQWQTSA-N 0 0 268.291 2.823 20 10 CFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000296583749 327108032 /nfs/dbraw/zinc/10/80/32/327108032.db2.gz UNJYYAQJOPLLGQ-QWRGUYRKSA-N 0 0 255.333 2.733 20 10 CFCDRN Cc1c(/C=C/C(=O)N2C[C@H](C)c3ccccc32)cnn1C ZINC000159450994 327195427 /nfs/dbraw/zinc/19/54/27/327195427.db2.gz KVVBEJUNRBDIAI-BCPZQOPPSA-N 0 0 281.359 2.892 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1C ZINC000527804651 330284445 /nfs/dbraw/zinc/28/44/45/330284445.db2.gz RCNZKYPPEIOKMG-ZWUHOBOKSA-N 0 0 263.381 2.911 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnnn1CC)c1cccc(Cl)c1[O-] ZINC000527918471 330295341 /nfs/dbraw/zinc/29/53/41/330295341.db2.gz YOYVYXOCNPEOQT-ZDUSSCGKSA-N 0 0 294.786 2.898 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccncc1 ZINC000117664161 330365646 /nfs/dbraw/zinc/36/56/46/330365646.db2.gz MIIAGIWTWSQXRH-ONEGZZNKSA-N 0 0 271.295 2.682 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCCc2cccc(F)c21 ZINC000491364321 332197800 /nfs/dbraw/zinc/19/78/00/332197800.db2.gz DGDWKQSRRXMXJM-SREVYHEPSA-N 0 0 283.306 2.608 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000491685039 332286171 /nfs/dbraw/zinc/28/61/71/332286171.db2.gz JHNWKUOEMHLVQL-SREVYHEPSA-N 0 0 279.343 2.778 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ncccc1C ZINC000491980760 332378073 /nfs/dbraw/zinc/37/80/73/332378073.db2.gz GRJHWGHZADSZAR-SREVYHEPSA-N 0 0 273.361 2.831 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCc2ccc(Cl)cc21 ZINC000492090160 332382476 /nfs/dbraw/zinc/38/24/76/332382476.db2.gz YVPUTGKPVGVNBP-ARJAWSKDSA-N 0 0 285.734 2.733 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc(C)n2)cn1 ZINC000492421721 332396711 /nfs/dbraw/zinc/39/67/11/332396711.db2.gz AQSBVHYIQWHQHH-MDZDMXLPSA-N 0 0 267.332 2.770 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(OC)c1)c1cccnc1 ZINC000492447868 332397845 /nfs/dbraw/zinc/39/78/45/332397845.db2.gz VZTJIAVRESAWHS-SREVYHEPSA-N 0 0 283.331 2.552 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCc2ccccc21 ZINC000492452121 332397994 /nfs/dbraw/zinc/39/79/94/332397994.db2.gz CILKATHLIKFGOU-SREVYHEPSA-N 0 0 264.328 2.993 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2ccc(F)cc21 ZINC000492506457 332400803 /nfs/dbraw/zinc/40/08/03/332400803.db2.gz VBJCYOVWDDJENO-DJWKRKHSSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCSc3ccncc32)cn1 ZINC000492550973 332402860 /nfs/dbraw/zinc/40/28/60/332402860.db2.gz SRLZZXQENDNCLK-PLNGDYQASA-N 0 0 297.383 2.937 20 10 CFCDRN CCOc1ccc(N(CC)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000492905228 332418159 /nfs/dbraw/zinc/41/81/59/332418159.db2.gz ZETOPQWOIRETLN-YHYXMXQVSA-N 0 0 285.347 2.875 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2ncccc21 ZINC000492923585 332418759 /nfs/dbraw/zinc/41/87/59/332418759.db2.gz IGADMJFPGKZCPJ-AATRIKPKSA-N 0 0 283.306 2.608 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCc2ccc(F)cc21 ZINC000492998047 332422025 /nfs/dbraw/zinc/42/20/25/332422025.db2.gz OOOKSMONOJJWAC-ONEGZZNKSA-N 0 0 274.320 2.885 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC23CC3)c(O)c1 ZINC000529227809 333478275 /nfs/dbraw/zinc/47/82/75/333478275.db2.gz LUJYYBOXINEIQX-ZDUSSCGKSA-N 0 0 275.348 2.597 20 10 CFCDRN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529644096 333503226 /nfs/dbraw/zinc/50/32/26/333503226.db2.gz MZVDHOCBIFGESZ-YGRLFVJLSA-N 0 0 267.756 2.703 20 10 CFCDRN CC[C@@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000133778863 334055187 /nfs/dbraw/zinc/05/51/87/334055187.db2.gz WCUSUNZVBKYCEE-GUYCJALGSA-N 0 0 288.391 2.914 20 10 CFCDRN CCO[C@H](CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000547772500 334116810 /nfs/dbraw/zinc/11/68/10/334116810.db2.gz XNPXIMRZUBHKDO-MRXNPFEDSA-N 0 0 288.391 2.918 20 10 CFCDRN CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278259438 520480080 /nfs/dbraw/zinc/48/00/80/520480080.db2.gz QJSJBIKSAPDVTI-UHFFFAOYSA-N 0 0 282.340 2.931 20 10 CFCDRN C/C=C(/CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000191007668 518479909 /nfs/dbraw/zinc/47/99/09/518479909.db2.gz AZAHDLZIEFZIMA-WOFOBEMUSA-N 0 0 263.337 2.501 20 10 CFCDRN CC(C)(C)OC(=O)NCCSc1nccs1 ZINC000074016016 518832955 /nfs/dbraw/zinc/83/29/55/518832955.db2.gz RDIVYYXKBPDMNE-UHFFFAOYSA-N 0 0 260.384 2.760 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748057 519362217 /nfs/dbraw/zinc/36/22/17/519362217.db2.gz ATWNSSVQSSCKLB-ZYHUDNBSSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000189288921 519539952 /nfs/dbraw/zinc/53/99/52/519539952.db2.gz RVZQJOMJPMZCPM-SOFGYWHQSA-N 0 0 277.364 2.909 20 10 CFCDRN CC(C)N(Cc1ccco1)C(=O)c1cccc(O)c1O ZINC000280030405 519660746 /nfs/dbraw/zinc/66/07/46/519660746.db2.gz YAGJFAVHOIHHQY-UHFFFAOYSA-N 0 0 275.304 2.742 20 10 CFCDRN CC(C)Oc1ccc(N(C)CC(=O)NC(C)(C)C)cc1 ZINC000191594961 519780304 /nfs/dbraw/zinc/78/03/04/519780304.db2.gz KEUYTMHLEPYKTR-UHFFFAOYSA-N 0 0 278.396 2.825 20 10 CFCDRN CCCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000104681972 519882957 /nfs/dbraw/zinc/88/29/57/519882957.db2.gz OMKCOQUPKJZISO-UHFFFAOYSA-N 0 0 252.314 2.969 20 10 CFCDRN CCCC1(CNC(=O)Cc2ccc(N)cc2)CCC1 ZINC000236793537 519889623 /nfs/dbraw/zinc/88/96/23/519889623.db2.gz DJTKXGNXCIBHOB-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN CC(C)n1ccc(CN(C)Cc2ccccc2O)n1 ZINC000172015064 519997777 /nfs/dbraw/zinc/99/77/77/519997777.db2.gz LZCQHAWEGXLLOC-UHFFFAOYSA-N 0 0 259.353 2.802 20 10 CFCDRN CC(C)n1nccc1CN(C)c1ccc2c(c1)OCO2 ZINC000280237400 520097155 /nfs/dbraw/zinc/09/71/55/520097155.db2.gz JVFMYESOJGXMSB-UHFFFAOYSA-N 0 0 273.336 2.829 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2nncn2CC)cc1 ZINC000158374526 520286590 /nfs/dbraw/zinc/28/65/90/520286590.db2.gz AYZRDQINXBMSNW-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN CC1(C)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181075865 520321081 /nfs/dbraw/zinc/32/10/81/520321081.db2.gz SOIFXWQHAYHSRL-FNORWQNLSA-N 0 0 275.348 2.760 20 10 CFCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000280473545 520475782 /nfs/dbraw/zinc/47/57/82/520475782.db2.gz NJCHCDCTKQMKLX-NSHDSACASA-N 0 0 290.190 2.902 20 10 CFCDRN CC1(C)CN(Cc2ccccc2O)C[C@H](C(F)(F)F)O1 ZINC000292740976 520483952 /nfs/dbraw/zinc/48/39/52/520483952.db2.gz HLMJIQDOCCDRGH-GFCCVEGCSA-N 0 0 289.297 2.934 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)OCC ZINC000282399234 520547141 /nfs/dbraw/zinc/54/71/41/520547141.db2.gz FCROZPQJZLDCSM-ZDUSSCGKSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCC(C)=O ZINC000282378640 520547179 /nfs/dbraw/zinc/54/71/79/520547179.db2.gz COPYEIUDTZAHGG-UHFFFAOYSA-N 0 0 277.364 2.890 20 10 CFCDRN CC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000280101993 520702765 /nfs/dbraw/zinc/70/27/65/520702765.db2.gz AVHRRFLBGRVYDT-UHFFFAOYSA-N 0 0 250.298 2.580 20 10 CFCDRN CCCCOCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000118217784 520741615 /nfs/dbraw/zinc/74/16/15/520741615.db2.gz YQBIHMXMUQJCIT-UHFFFAOYSA-N 0 0 290.407 2.502 20 10 CFCDRN CC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000160731127 520789799 /nfs/dbraw/zinc/78/97/99/520789799.db2.gz IRNAHESRFJMLMY-UHFFFAOYSA-N 0 0 288.391 2.795 20 10 CFCDRN CCN(CC)c1ccc(CNc2cnn(C)c2)cc1 ZINC000057530656 520911687 /nfs/dbraw/zinc/91/16/87/520911687.db2.gz JJTGWUSSYKOBTA-UHFFFAOYSA-N 0 0 258.369 2.878 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000068489373 520973542 /nfs/dbraw/zinc/97/35/42/520973542.db2.gz KRZWCWWTKMHLIN-LLVKDONJSA-N 0 0 297.420 2.939 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ncnn2CC)cc1 ZINC000278500747 521028952 /nfs/dbraw/zinc/02/89/52/521028952.db2.gz LDIWTLIEOKKPAM-UHFFFAOYSA-N 0 0 274.368 2.723 20 10 CFCDRN CCOC(=O)[C@H](CC)N(Cc1ccccc1O)C1CC1 ZINC000191658644 521234803 /nfs/dbraw/zinc/23/48/03/521234803.db2.gz DLFPNRMFAAPCFU-AWEZNQCLSA-N 0 0 277.364 2.698 20 10 CFCDRN CCC[C@H]1SCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180785701 521255020 /nfs/dbraw/zinc/25/50/20/521255020.db2.gz OCSSPTHCNYZBEF-KEDPEKRHSA-N 0 0 293.388 2.813 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1 ZINC000264651009 521317670 /nfs/dbraw/zinc/31/76/70/521317670.db2.gz SJLJTMIDWLFJRA-UHFFFAOYSA-N 0 0 297.402 2.739 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCO1 ZINC000271012914 521320355 /nfs/dbraw/zinc/32/03/55/521320355.db2.gz IZQVBBVRMMERIW-QGZVFWFLSA-N 0 0 290.407 2.670 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C=O)c[nH]1 ZINC000293136219 521320620 /nfs/dbraw/zinc/32/06/20/521320620.db2.gz CMAKQJSZBDVIAK-UHFFFAOYSA-N 0 0 299.374 2.556 20 10 CFCDRN CCOc1cccc(CN2CCC=C(F)C2)c1O ZINC000272856178 521337461 /nfs/dbraw/zinc/33/74/61/521337461.db2.gz TZENCRBNYYIKOI-UHFFFAOYSA-N 0 0 251.301 2.850 20 10 CFCDRN CCCCn1c(C)c(C)nc1SCC(=O)C(C)=O ZINC000289727904 521359009 /nfs/dbraw/zinc/35/90/09/521359009.db2.gz SMTORTVRTKOZEL-UHFFFAOYSA-N 0 0 268.382 2.550 20 10 CFCDRN CCOc1cccc(CNc2ccc(CCO)cc2)c1O ZINC000040738167 521377410 /nfs/dbraw/zinc/37/74/10/521377410.db2.gz QJWLUSLRRYGDKJ-UHFFFAOYSA-N 0 0 287.359 2.938 20 10 CFCDRN CCN(Cc1ccno1)c1ccc(OC)c(OC)c1 ZINC000264760754 521424469 /nfs/dbraw/zinc/42/44/69/521424469.db2.gz YRPGDMDCNMYOQN-UHFFFAOYSA-N 0 0 262.309 2.718 20 10 CFCDRN CCN1C(=O)/C(=C/c2cn(C(C)C)nc2C)SC1=S ZINC000281111162 521512628 /nfs/dbraw/zinc/51/26/28/521512628.db2.gz XBRNJSPTUHBCRB-WDZFZDKYSA-N 0 0 295.433 2.994 20 10 CFCDRN CCCc1nsc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000292385824 521599317 /nfs/dbraw/zinc/59/93/17/521599317.db2.gz DKHHMDSGQHLRMN-VIFPVBQESA-N 0 0 293.392 2.945 20 10 CFCDRN CCOCCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000076795382 521676178 /nfs/dbraw/zinc/67/61/78/521676178.db2.gz ZDZSBNDTOIACMB-UHFFFAOYSA-N 0 0 278.396 2.576 20 10 CFCDRN CCC1(C)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000291773831 521679754 /nfs/dbraw/zinc/67/97/54/521679754.db2.gz DZRCJLDMFAMMQM-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCOC ZINC000066699638 521688097 /nfs/dbraw/zinc/68/80/97/521688097.db2.gz MQYPAIYMKVCZGW-UHFFFAOYSA-N 0 0 294.395 2.740 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)COC ZINC000172491801 521688813 /nfs/dbraw/zinc/68/88/13/521688813.db2.gz SKTYNUDUERLNMI-ZDUSSCGKSA-N 0 0 294.395 2.596 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OCC ZINC000264100319 521689230 /nfs/dbraw/zinc/68/92/30/521689230.db2.gz PEXARYYIBGXMGI-UKRRQHHQSA-N 0 0 277.364 2.556 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ncoc1C ZINC000104880162 521689647 /nfs/dbraw/zinc/68/96/47/521689647.db2.gz RPYPEUSTMRWMCL-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN CCCN(Cc1ncnn1CCC)Cc1ccccc1O ZINC000279360931 521694495 /nfs/dbraw/zinc/69/44/95/521694495.db2.gz GEAJLGIEPONTCG-UHFFFAOYSA-N 0 0 288.395 2.806 20 10 CFCDRN CCOCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516450 521695710 /nfs/dbraw/zinc/69/57/10/521695710.db2.gz TZDNWVZYDDMMJT-UHFFFAOYSA-N 0 0 291.391 2.704 20 10 CFCDRN CCOCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058770150 521695949 /nfs/dbraw/zinc/69/59/49/521695949.db2.gz AOGUBLDNBMZABD-UHFFFAOYSA-N 0 0 290.407 2.502 20 10 CFCDRN CCSCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180830275 521712007 /nfs/dbraw/zinc/71/20/07/521712007.db2.gz XZMZRGPKTYCQCB-OKPNEXGHSA-N 0 0 295.404 2.759 20 10 CFCDRN COCCSCCCN(C)c1ccc(OC)cc1OC ZINC000278311749 521773884 /nfs/dbraw/zinc/77/38/84/521773884.db2.gz BKORQGQEXQANHV-UHFFFAOYSA-N 0 0 299.436 2.910 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000278928126 521867989 /nfs/dbraw/zinc/86/79/89/521867989.db2.gz VVGLHZOTNWAJDE-SNVBAGLBSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC2(C)CC2)ccc1[N+](=O)[O-] ZINC000280500933 521874671 /nfs/dbraw/zinc/87/46/71/521874671.db2.gz GCIVGWPMYMMBIN-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278922703 521877808 /nfs/dbraw/zinc/87/78/08/521877808.db2.gz UZTYGXIQILRVEQ-GXSJLCMTSA-N 0 0 280.324 2.587 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000278465736 521883456 /nfs/dbraw/zinc/88/34/56/521883456.db2.gz GGHIOBRJLYIOGT-NSHDSACASA-N 0 0 278.308 2.507 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C(C)(F)F)C2)cc1 ZINC000377405155 522156677 /nfs/dbraw/zinc/15/66/77/522156677.db2.gz UMRKLPAAXSBGGY-UHFFFAOYSA-N 0 0 280.318 2.633 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ncc(Cl)cn2)cc1 ZINC000267097495 522172916 /nfs/dbraw/zinc/17/29/16/522172916.db2.gz OEHVGBORKVUTIV-UHFFFAOYSA-N 0 0 276.771 2.832 20 10 CFCDRN CN(C)c1ccc(OCc2ncnn2C(C)(C)C)cc1 ZINC000289465636 522239212 /nfs/dbraw/zinc/23/92/12/522239212.db2.gz WLMLQJQAAPWEGU-UHFFFAOYSA-N 0 0 274.368 2.678 20 10 CFCDRN CCc1nc(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])no1 ZINC000276873536 522283307 /nfs/dbraw/zinc/28/33/07/522283307.db2.gz FDXGFBOXHLZDOO-QMMMGPOBSA-N 0 0 297.305 2.509 20 10 CFCDRN COc1cc(CC(=O)N(C)Cc2ccccc2O)ccc1C ZINC000053915166 522313529 /nfs/dbraw/zinc/31/35/29/522313529.db2.gz VFXASCSGSRUWCD-UHFFFAOYSA-N 0 0 299.370 2.910 20 10 CFCDRN COc1cc(N(C)CCCSC)cc(OC)c1OC ZINC000075767492 522619711 /nfs/dbraw/zinc/61/97/11/522619711.db2.gz UJYGLNJCZCKDGH-UHFFFAOYSA-N 0 0 285.409 2.902 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000285990804 522687651 /nfs/dbraw/zinc/68/76/51/522687651.db2.gz IBHYGTIGZKLOCN-LNSITVRQSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000285990810 522690973 /nfs/dbraw/zinc/69/09/73/522690973.db2.gz IBHYGTIGZKLOCN-WHOFXGATSA-N 0 0 297.370 2.766 20 10 CFCDRN C[N@H+](CCCCCO)Cc1cccc(Cl)c1[O-] ZINC000279419445 522732241 /nfs/dbraw/zinc/73/22/41/522732241.db2.gz NDLMTCQNLQAUOS-UHFFFAOYSA-N 0 0 257.761 2.640 20 10 CFCDRN COCCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273582447 523132227 /nfs/dbraw/zinc/13/22/27/523132227.db2.gz MZBQARNCCNVSKQ-NSHDSACASA-N 0 0 282.340 2.768 20 10 CFCDRN CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278465657 523135012 /nfs/dbraw/zinc/13/50/12/523135012.db2.gz GCWWBBPNEFEEAW-JQWIXIFHSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@H]1CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000291643080 523166930 /nfs/dbraw/zinc/16/69/30/523166930.db2.gz BIXRHXFUTUYYTP-LBPRGKRZSA-N 0 0 279.359 2.586 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000180618887 523771955 /nfs/dbraw/zinc/77/19/55/523771955.db2.gz FTPJFMMILCPQSZ-CSKARUKUSA-N 0 0 275.348 2.902 20 10 CFCDRN CN1CCCN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000078150377 523799603 /nfs/dbraw/zinc/79/96/03/523799603.db2.gz QFSGFAHKIVKONV-MDZDMXLPSA-N 0 0 293.370 2.968 20 10 CFCDRN CC[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000299392235 523833663 /nfs/dbraw/zinc/83/36/63/523833663.db2.gz SZWAMCLZVYMGMA-LBPRGKRZSA-N 0 0 260.381 2.731 20 10 CFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000237283217 523849843 /nfs/dbraw/zinc/84/98/43/523849843.db2.gz WSJBPRAKNYTBGU-GOSISDBHSA-N 0 0 294.398 2.827 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3(CCF)CC3)ccc21 ZINC000290111910 523859236 /nfs/dbraw/zinc/85/92/36/523859236.db2.gz IRZFAQRMYYDSFH-UHFFFAOYSA-N 0 0 290.382 2.825 20 10 CFCDRN CN1CCCc2cc(NC(=O)Cc3ccc(N)cc3)ccc21 ZINC000237131512 523863035 /nfs/dbraw/zinc/86/30/35/523863035.db2.gz PPTSWUFPKUXXGF-UHFFFAOYSA-N 0 0 295.386 2.832 20 10 CFCDRN COC(=O)[C@H](Cc1ccccc1)NCc1cc(C)ccc1O ZINC000276456164 523911529 /nfs/dbraw/zinc/91/15/29/523911529.db2.gz KPPOJXJDCXQASQ-INIZCTEOSA-N 0 0 299.370 2.575 20 10 CFCDRN COc1cccc([C@@H](C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000152498837 524083506 /nfs/dbraw/zinc/08/35/06/524083506.db2.gz FIBNCLMZGFANNG-CYBMUJFWSA-N 0 0 298.386 2.740 20 10 CFCDRN C[C@H](CCO)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294666567 524200285 /nfs/dbraw/zinc/20/02/85/524200285.db2.gz AEQIWKCIVPRELA-JTQLQIEISA-N 0 0 257.761 2.544 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)(F)F ZINC000292746922 524208390 /nfs/dbraw/zinc/20/83/90/524208390.db2.gz JYCDBLJHZXVHOM-JTQLQIEISA-N 0 0 270.323 2.660 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)Cc2ccc(N)cc2)C1 ZINC000237576391 524270285 /nfs/dbraw/zinc/27/02/85/524270285.db2.gz FRKLZDREXHIPSO-CHWSQXEVSA-N 0 0 260.381 2.848 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1F ZINC000191469641 524355174 /nfs/dbraw/zinc/35/51/74/524355174.db2.gz WALGICASXWUMIU-UHFFFAOYSA-N 0 0 292.358 2.817 20 10 CFCDRN COc1ccc(N(CCN2CCCC2=O)C(C)C)cc1F ZINC000101567453 524366545 /nfs/dbraw/zinc/36/65/45/524366545.db2.gz WVFRTVAZJFBARR-UHFFFAOYSA-N 0 0 294.370 2.672 20 10 CFCDRN COc1ccc(N(Cc2nc(C)no2)C(C)C)cc1F ZINC000263761026 524370859 /nfs/dbraw/zinc/37/08/59/524370859.db2.gz ZAKKQMIXLZRZQI-UHFFFAOYSA-N 0 0 279.315 2.941 20 10 CFCDRN Cc1cccc(CN(CCO)c2ccccc2)c1O ZINC000191970650 524381774 /nfs/dbraw/zinc/38/17/74/524381774.db2.gz RHPVDAVBRBIWFP-UHFFFAOYSA-N 0 0 257.333 2.700 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000181297328 524434220 /nfs/dbraw/zinc/43/42/20/524434220.db2.gz SIKFVZYNBJFBEA-XCOQAZTISA-N 0 0 275.348 2.616 20 10 CFCDRN COc1ccc(N2CCN(c3ccccn3)CC2)cc1F ZINC000071711520 524436423 /nfs/dbraw/zinc/43/64/23/524436423.db2.gz MHFUSYPPZCCYGE-UHFFFAOYSA-N 0 0 287.338 2.556 20 10 CFCDRN C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000097439804 524508050 /nfs/dbraw/zinc/50/80/50/524508050.db2.gz FYFQWVDDHZANJR-QMMMGPOBSA-N 0 0 278.179 2.807 20 10 CFCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000191313509 524609549 /nfs/dbraw/zinc/60/95/49/524609549.db2.gz BNPHNULXUJLXGQ-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN COc1ccc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289311935 524739216 /nfs/dbraw/zinc/73/92/16/524739216.db2.gz DTWPDEAPXAGCNX-HNNXBMFYSA-N 0 0 287.363 2.851 20 10 CFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000181084482 524875729 /nfs/dbraw/zinc/87/57/29/524875729.db2.gz JCYKBXBXZJXYIP-DJYGCBNOSA-N 0 0 275.348 2.806 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C1CC1 ZINC000293424923 524893491 /nfs/dbraw/zinc/89/34/91/524893491.db2.gz IPGKHDRRWZVNGB-NSHDSACASA-N 0 0 291.391 2.971 20 10 CFCDRN COc1cnc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000290924915 524907085 /nfs/dbraw/zinc/90/70/85/524907085.db2.gz IUFCGZAUXLVWNN-UHFFFAOYSA-N 0 0 282.347 2.897 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000052331796 525136271 /nfs/dbraw/zinc/13/62/71/525136271.db2.gz WICHPVLPAOKNKU-GFCCVEGCSA-N 0 0 260.381 2.896 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000224919561 525268311 /nfs/dbraw/zinc/26/83/11/525268311.db2.gz YNWAQQAEIJYVKC-KOLCDFICSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265935668 525312460 /nfs/dbraw/zinc/31/24/60/525312460.db2.gz POCLLXCEXIHICA-UKRRQHHQSA-N 0 0 285.391 2.518 20 10 CFCDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(F)cc1[O-] ZINC000087017034 525319413 /nfs/dbraw/zinc/31/94/13/525319413.db2.gz HQODMIAPHRWGSX-NSHDSACASA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000062747875 525390296 /nfs/dbraw/zinc/39/02/96/525390296.db2.gz QHZLJEVSXPIGDB-QWRGUYRKSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273088672 525408674 /nfs/dbraw/zinc/40/86/74/525408674.db2.gz SERYRZOGUQGNDZ-VXGBXAGGSA-N 0 0 294.351 2.595 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000062748290 525414064 /nfs/dbraw/zinc/41/40/64/525414064.db2.gz KPRBBFGMAZHSBK-CMPLNLGQSA-N 0 0 253.317 2.751 20 10 CFCDRN CSCCCCCNC(=O)NCc1ccccc1O ZINC000274825655 525421644 /nfs/dbraw/zinc/42/16/44/525421644.db2.gz QVLNCBJTJPJAOD-UHFFFAOYSA-N 0 0 282.409 2.725 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(F)c(F)c1[O-] ZINC000276902527 525440665 /nfs/dbraw/zinc/44/06/65/525440665.db2.gz JELGUOOGYRAILO-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000062745805 525477636 /nfs/dbraw/zinc/47/76/36/525477636.db2.gz ZUDUZFNMJYSZHL-BDJLRTHQSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000279015629 525506101 /nfs/dbraw/zinc/50/61/01/525506101.db2.gz UFIJPJMZUNWAOL-VXGBXAGGSA-N 0 0 289.354 2.641 20 10 CFCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000246240507 525511974 /nfs/dbraw/zinc/51/19/74/525511974.db2.gz IUMUOURWLLZRSJ-XNRPHZJLSA-N 0 0 272.392 2.991 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000168799291 525526792 /nfs/dbraw/zinc/52/67/92/525526792.db2.gz OECFDFXMDCVVAO-GARJFASQSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000275999391 525584251 /nfs/dbraw/zinc/58/42/51/525584251.db2.gz AGNRHILLDIZFRY-ISTVAULSSA-N 0 0 296.361 2.804 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000062747410 525614663 /nfs/dbraw/zinc/61/46/63/525614663.db2.gz LJUUPMKTDVXCRG-HZMBPMFUSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000273611016 525621382 /nfs/dbraw/zinc/62/13/82/525621382.db2.gz VVGYAQHCEYXGHN-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Cl)ccc1O ZINC000276684046 525625217 /nfs/dbraw/zinc/62/52/17/525625217.db2.gz TYTAKOJDBWCPLZ-BDAKNGLRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)Cc1ccc(N)cc1)C2(C)C ZINC000366328850 525715112 /nfs/dbraw/zinc/71/51/12/525715112.db2.gz LMADMJUBXOPNSX-WXYCVUISSA-N 0 0 286.419 2.998 20 10 CFCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000302398742 525730628 /nfs/dbraw/zinc/73/06/28/525730628.db2.gz KOJAUUGNPCXHFJ-SNVBAGLBSA-N 0 0 287.323 2.624 20 10 CFCDRN COc1cccc(CNc2nc3ccccc3c(=O)[nH]2)c1O ZINC000301148486 526044291 /nfs/dbraw/zinc/04/42/91/526044291.db2.gz LHKJIAISQNEJOG-UHFFFAOYSA-N 0 0 297.314 2.662 20 10 CFCDRN COc1cccc(CNc2nccc(C)c2[N+](=O)[O-])c1O ZINC000301282557 526046877 /nfs/dbraw/zinc/04/68/77/526046877.db2.gz KPYDWBBBNYMOLY-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN C[C@@H]1CC(NC(=O)Cc2ccc(N)cc2)C[C@@H](C)C1 ZINC000084971703 526227812 /nfs/dbraw/zinc/22/78/12/526227812.db2.gz HDDHARCMIUODSG-RYUDHWBXSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nccs1 ZINC000047241834 526256476 /nfs/dbraw/zinc/25/64/76/526256476.db2.gz FZPQXZSOTOJXGK-UWVGGRQHSA-N 0 0 270.423 2.930 20 10 CFCDRN Cc1nnc(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000289618784 526328897 /nfs/dbraw/zinc/32/88/97/526328897.db2.gz DKUGWOAYEWSRLM-SSDOTTSWSA-N 0 0 299.346 2.724 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000224931071 526330105 /nfs/dbraw/zinc/33/01/05/526330105.db2.gz YSCVIHJIDSRPIE-OCCSQVGLSA-N 0 0 267.756 2.703 20 10 CFCDRN O=C(CC1=CCCCC1)NCc1ccc(O)c(O)c1 ZINC000158913342 526339456 /nfs/dbraw/zinc/33/94/56/526339456.db2.gz XQZUKVIAJKLHCD-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN O=C(CC1CC1)NCc1cccc(Br)c1O ZINC000277515323 526344677 /nfs/dbraw/zinc/34/46/77/526344677.db2.gz LHGKALWILBJMKA-UHFFFAOYSA-N 0 0 284.153 2.571 20 10 CFCDRN Fc1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000132728712 526395639 /nfs/dbraw/zinc/39/56/39/526395639.db2.gz NLYNDZRSHHWBEL-UHFFFAOYSA-N 0 0 287.338 2.669 20 10 CFCDRN Cc1noc(-c2cccnc2N(C)Cc2ccccc2O)n1 ZINC000302675890 526455260 /nfs/dbraw/zinc/45/52/60/526455260.db2.gz UKYPHHWKFUGMQT-UHFFFAOYSA-N 0 0 296.330 2.782 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCC1(F)F ZINC000296250777 526686663 /nfs/dbraw/zinc/68/66/63/526686663.db2.gz FQOXABPYTLSNCT-JTQLQIEISA-N 0 0 285.290 2.540 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCc2c(O)cccc21 ZINC000276608599 526755201 /nfs/dbraw/zinc/75/52/01/526755201.db2.gz ZTEBANIDKRISSL-OAHLLOKOSA-N 0 0 297.354 2.834 20 10 CFCDRN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)no1 ZINC000191592790 526846870 /nfs/dbraw/zinc/84/68/70/526846870.db2.gz USTMAGZJTARVRV-UHFFFAOYSA-N 0 0 261.325 2.802 20 10 CFCDRN Cc1ncccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000170991049 527355957 /nfs/dbraw/zinc/35/59/57/527355957.db2.gz VTOGMGZRUHBIRU-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Nc1ccc(CC(=O)N2C[C@H]3CCCCC[C@H]32)cc1 ZINC000366343706 527477259 /nfs/dbraw/zinc/47/72/59/527477259.db2.gz CHHWTPDBRVYLNZ-UKRRQHHQSA-N 0 0 258.365 2.602 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000269238483 527478015 /nfs/dbraw/zinc/47/80/15/527478015.db2.gz YACPEDKRQRZKCL-WBVHZDCISA-N 0 0 280.371 2.559 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000161063571 527478450 /nfs/dbraw/zinc/47/84/50/527478450.db2.gz JGNJFTYLBUQTQB-JKSUJKDBSA-N 0 0 272.392 2.896 20 10 CFCDRN Nc1ccc(CCNC(=O)CCC2CCCC2)cc1 ZINC000040675605 527479666 /nfs/dbraw/zinc/47/96/66/527479666.db2.gz KGCRPXIWEQICTD-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN OCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000081670499 527551469 /nfs/dbraw/zinc/55/14/69/527551469.db2.gz PLGYCSNNIBVVHB-UHFFFAOYSA-N 0 0 291.372 2.518 20 10 CFCDRN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccccc1O ZINC000273252348 527579726 /nfs/dbraw/zinc/57/97/26/527579726.db2.gz RUDATWUGJHWDKU-UHFFFAOYSA-N 0 0 287.363 2.582 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N(CC1CC1)c1ccccc1 ZINC000276615929 527601935 /nfs/dbraw/zinc/60/19/35/527601935.db2.gz QCNJCRZFLAIJSF-CMDGGOBGSA-N 0 0 267.332 2.866 20 10 CFCDRN O=C(/C=C/c1ccc[nH]1)NCc1c(O)ccc2c1CCCC2 ZINC000188556039 527623337 /nfs/dbraw/zinc/62/33/37/527623337.db2.gz LEMVVPIHOIBQPC-CSKARUKUSA-N 0 0 296.370 2.929 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1ccccc1F ZINC000493321861 535940095 /nfs/dbraw/zinc/94/00/95/535940095.db2.gz MPTULARBZAUGFP-SREVYHEPSA-N 0 0 262.309 2.958 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1ccc(Cl)cn1 ZINC000493420854 535940335 /nfs/dbraw/zinc/94/03/35/535940335.db2.gz OQJOMBXAWZIUKC-HYXAFXHYSA-N 0 0 279.752 2.868 20 10 CFCDRN COC(=O)c1cnc(-c2cnc(C)s2)c2ccn(C)c21 ZINC001243377477 782169337 /nfs/dbraw/zinc/16/93/37/782169337.db2.gz IEEDLSPYFJUSMQ-UHFFFAOYSA-N 0 0 287.344 2.792 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(OC)CCCC2)c1 ZINC000754217313 574082880 /nfs/dbraw/zinc/08/28/80/574082880.db2.gz SSVMSODMXDRHND-NSHDSACASA-N 0 0 293.363 2.537 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)OC)cc1F ZINC000731345876 574117607 /nfs/dbraw/zinc/11/76/07/574117607.db2.gz MGESIBLVLISWJW-UHFFFAOYSA-N 0 0 254.305 2.528 20 10 CFCDRN O=C(OCC[C@H]1CCCCO1)C1=CC(=O)CS1 ZINC000754814946 574122467 /nfs/dbraw/zinc/12/24/67/574122467.db2.gz HWFOTMIDTMDJEF-SNVBAGLBSA-N 0 0 256.323 2.570 20 10 CFCDRN COC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871704 574131294 /nfs/dbraw/zinc/13/12/94/574131294.db2.gz JYQTUSGZIIMFIM-UHFFFAOYSA-N 0 0 292.316 2.884 20 10 CFCDRN CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000731872244 574131306 /nfs/dbraw/zinc/13/13/06/574131306.db2.gz YWZJJMPEVCCQQU-UHFFFAOYSA-N 0 0 277.345 2.782 20 10 CFCDRN O=C(NCCCNc1ccccc1)C1=CC(=O)CS1 ZINC000731873331 574131866 /nfs/dbraw/zinc/13/18/66/574131866.db2.gz NBWHQXGYZPBKJQ-UHFFFAOYSA-N 0 0 276.361 2.686 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N(CC)CC)cc1 ZINC000746158819 574137716 /nfs/dbraw/zinc/13/77/16/574137716.db2.gz HJVKXMWPWYAZPB-UHFFFAOYSA-N 0 0 278.396 2.780 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccs2)c1 ZINC000728985475 574143505 /nfs/dbraw/zinc/14/35/05/574143505.db2.gz XXSAJJKGKOEELD-VIFPVBQESA-N 0 0 277.345 2.953 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2C=CCC2)c1 ZINC000728985447 574143519 /nfs/dbraw/zinc/14/35/19/574143519.db2.gz XTZYNLDAEDUZCX-NWDGAFQWSA-N 0 0 275.348 2.934 20 10 CFCDRN COC[C@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000755163088 574143629 /nfs/dbraw/zinc/14/36/29/574143629.db2.gz ORWDOAKWASFEIE-CQSZACIVSA-N 0 0 290.407 2.576 20 10 CFCDRN COc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000732267560 574148163 /nfs/dbraw/zinc/14/81/63/574148163.db2.gz KMWAGAQFUKRJLT-SECBINFHSA-N 0 0 277.345 2.953 20 10 CFCDRN O=C(NCCc1ccc2ccccc2n1)C1=CC(=O)CS1 ZINC000732273584 574148595 /nfs/dbraw/zinc/14/85/95/574148595.db2.gz YXGVEMRJWMNJKZ-UHFFFAOYSA-N 0 0 298.367 2.974 20 10 CFCDRN C[C@H](COc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000732273498 574148838 /nfs/dbraw/zinc/14/88/38/574148838.db2.gz BEVLDWIKNXDHGC-SNVBAGLBSA-N 0 0 277.345 2.651 20 10 CFCDRN Cc1cc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)on1 ZINC000732269630 574148889 /nfs/dbraw/zinc/14/88/89/574148889.db2.gz GRUOLPDBTATXKZ-JTQLQIEISA-N 0 0 278.333 2.727 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C1CCC1 ZINC000732285992 574149867 /nfs/dbraw/zinc/14/98/67/574149867.db2.gz RALSEIYANKOVME-NSHDSACASA-N 0 0 251.351 2.858 20 10 CFCDRN COC[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732284194 574149872 /nfs/dbraw/zinc/14/98/72/574149872.db2.gz NQUNIHWBBQWZJZ-LBPRGKRZSA-N 0 0 277.345 2.571 20 10 CFCDRN CC(C)Cc1cc(NC(=O)C2=CC(=O)CS2)n(C)n1 ZINC000732280656 574149949 /nfs/dbraw/zinc/14/99/49/574149949.db2.gz NSPLIDCMJIEMIE-UHFFFAOYSA-N 0 0 279.365 2.638 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000732280141 574150143 /nfs/dbraw/zinc/15/01/43/574150143.db2.gz ZOJXLKLPOXIABJ-SNVBAGLBSA-N 0 0 277.349 2.544 20 10 CFCDRN COc1ccc(COC(=O)C2=CC(=O)CS2)cc1F ZINC000732353626 574152949 /nfs/dbraw/zinc/15/29/49/574152949.db2.gz ISRPVZXGIYNHOH-UHFFFAOYSA-N 0 0 282.292 2.958 20 10 CFCDRN COc1cccc(C(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732354639 574153317 /nfs/dbraw/zinc/15/33/17/574153317.db2.gz PCJWXGQEOUMBAJ-UHFFFAOYSA-N 0 0 292.312 2.502 20 10 CFCDRN Cc1cccc(NC(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732354617 574153335 /nfs/dbraw/zinc/15/33/35/574153335.db2.gz XHTCIUFNURQTTJ-UHFFFAOYSA-N 0 0 291.328 2.558 20 10 CFCDRN Cc1ccccc1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732354747 574153417 /nfs/dbraw/zinc/15/34/17/574153417.db2.gz YEDLVGLCGPLXAF-UHFFFAOYSA-N 0 0 291.328 2.558 20 10 CFCDRN CN1CCc2cc(CNC(=O)C3CCCCC3)ccc21 ZINC000169815341 574156408 /nfs/dbraw/zinc/15/64/08/574156408.db2.gz MORUIZSKADHGLY-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccccc1O ZINC000738958678 574191038 /nfs/dbraw/zinc/19/10/38/574191038.db2.gz XMMPNWZJJBPIHS-UHFFFAOYSA-N 0 0 275.304 2.624 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)n1cccc1 ZINC000729257534 574193452 /nfs/dbraw/zinc/19/34/52/574193452.db2.gz JSWQEUAZYSTDPO-AWEZNQCLSA-N 0 0 285.391 2.822 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC23CCCC3)c1 ZINC000747518943 574199402 /nfs/dbraw/zinc/19/94/02/574199402.db2.gz SROHJLHMYFXMRS-CYBMUJFWSA-N 0 0 275.348 2.597 20 10 CFCDRN COc1ccccc1NC(=S)NCc1cccc(F)n1 ZINC000747720131 574208209 /nfs/dbraw/zinc/20/82/09/574208209.db2.gz DOQAABZSXPKCSA-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CC3(CC3)c3ccccc32)cn1 ZINC000739606910 574220328 /nfs/dbraw/zinc/22/03/28/574220328.db2.gz GPCVASYJWOZVEH-SREVYHEPSA-N 0 0 279.343 2.512 20 10 CFCDRN O=C([O-])c1ccccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756307785 574224103 /nfs/dbraw/zinc/22/41/03/574224103.db2.gz IBUHJHQTZAHWDA-UHFFFAOYSA-N 0 0 297.354 2.652 20 10 CFCDRN CN(Cc1ccon1)Cc1c(O)ccc2ccncc21 ZINC000739879272 574227030 /nfs/dbraw/zinc/22/70/30/574227030.db2.gz JNAPSYKUHUUWNV-UHFFFAOYSA-N 0 0 269.304 2.560 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756401207 574234034 /nfs/dbraw/zinc/23/40/34/574234034.db2.gz VQNMVHPXGOTSHI-SNVBAGLBSA-N 0 0 295.333 2.985 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000756434213 574237384 /nfs/dbraw/zinc/23/73/84/574237384.db2.gz UTCDPQZMVUIRAW-HZMBPMFUSA-N 0 0 266.360 2.522 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498650 574241575 /nfs/dbraw/zinc/24/15/75/574241575.db2.gz VUKYKIAAZOLULT-MWLCHTKSSA-N 0 0 273.323 2.728 20 10 CFCDRN Cc1ccc(C(=O)O[C@@H](C)c2cccnc2)c(O)c1O ZINC000733476379 574242583 /nfs/dbraw/zinc/24/25/83/574242583.db2.gz PCHOSQMKOOVUOA-JTQLQIEISA-N 0 0 273.288 2.719 20 10 CFCDRN COCC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527954 574243681 /nfs/dbraw/zinc/24/36/81/574243681.db2.gz SATFMDTYJGBWLE-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756533600 574244234 /nfs/dbraw/zinc/24/42/34/574244234.db2.gz JQSANWWWLJAXCH-MRVPVSSYSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000756550432 574246390 /nfs/dbraw/zinc/24/63/90/574246390.db2.gz HPVFGOSXDLBKEL-RISCZKNCSA-N 0 0 278.371 2.666 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756557896 574247202 /nfs/dbraw/zinc/24/72/02/574247202.db2.gz XSKAYSDOUGPFNP-SCZZXKLOSA-N 0 0 257.280 2.500 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2c(cccc2F)[nH]1 ZINC000748345642 574247939 /nfs/dbraw/zinc/24/79/39/574247939.db2.gz GOUVTXSPVBDONK-UHFFFAOYSA-N 0 0 284.290 2.943 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000748349346 574248051 /nfs/dbraw/zinc/24/80/51/574248051.db2.gz FHSVCPBWSZERSK-CABCVRRESA-N 0 0 285.318 2.951 20 10 CFCDRN Cc1ccc(OCC(=O)NCc2ccccc2O)cc1C ZINC000748353086 574248156 /nfs/dbraw/zinc/24/81/56/574248156.db2.gz LJDSSNAXQVKAFW-UHFFFAOYSA-N 0 0 285.343 2.704 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000748349353 574248410 /nfs/dbraw/zinc/24/84/10/574248410.db2.gz FHSVCPBWSZERSK-LSDHHAIUSA-N 0 0 285.318 2.951 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756570808 574248875 /nfs/dbraw/zinc/24/88/75/574248875.db2.gz BLEWBLHIVLNVAT-RWEMILLDSA-N 0 0 273.323 2.728 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756579148 574250089 /nfs/dbraw/zinc/25/00/89/574250089.db2.gz ZGWJGZQBKBPNKC-ZIBATOQPSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000740475022 574250460 /nfs/dbraw/zinc/25/04/60/574250460.db2.gz RGZQSXLDZHNXQR-LBPRGKRZSA-N 0 0 295.402 2.983 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756597886 574251231 /nfs/dbraw/zinc/25/12/31/574251231.db2.gz QPQIEUHQYYUWEY-ZWNOBZJWSA-N 0 0 282.340 2.622 20 10 CFCDRN CCc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])on1 ZINC000756612800 574252037 /nfs/dbraw/zinc/25/20/37/574252037.db2.gz YFKNKOHDUKKRKK-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1cc(F)cc(F)c1[O-] ZINC000756617302 574252383 /nfs/dbraw/zinc/25/23/83/574252383.db2.gz HOJUWKJUSLZPOY-VIFPVBQESA-N 0 0 273.323 2.730 20 10 CFCDRN COCc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000748444242 574252656 /nfs/dbraw/zinc/25/26/56/574252656.db2.gz SYYLTJAYLDCUIT-UHFFFAOYSA-N 0 0 286.331 2.860 20 10 CFCDRN C[C@@H](Cc1ccsc1)NC(=O)NCc1ccccc1O ZINC000748461355 574253829 /nfs/dbraw/zinc/25/38/29/574253829.db2.gz WHIYMILZZBKPLM-NSHDSACASA-N 0 0 290.388 2.884 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(F)cc(F)c1[O-] ZINC000756648691 574255326 /nfs/dbraw/zinc/25/53/26/574255326.db2.gz YHHGMKRIQSDNMV-JBLDHEPKSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756646774 574255402 /nfs/dbraw/zinc/25/54/02/574255402.db2.gz PFJKFCZEWWDJKI-UTUOFQBUSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756646951 574255461 /nfs/dbraw/zinc/25/54/61/574255461.db2.gz QYHXAFKDLHOUQA-UTUOFQBUSA-N 0 0 294.351 2.766 20 10 CFCDRN CN(CCCCCCCO)c1ccc2c(c1)OCO2 ZINC000756655416 574255859 /nfs/dbraw/zinc/25/58/59/574255859.db2.gz SEDZGFKHVOCBMG-UHFFFAOYSA-N 0 0 265.353 2.794 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000756661383 574256611 /nfs/dbraw/zinc/25/66/11/574256611.db2.gz RGRSOPVKXKFBMG-RYUDHWBXSA-N 0 0 293.338 2.626 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000756712373 574258340 /nfs/dbraw/zinc/25/83/40/574258340.db2.gz OTSCAUOGXCOWMD-JQWIXIFHSA-N 0 0 277.364 2.876 20 10 CFCDRN COC1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000733881672 574260206 /nfs/dbraw/zinc/26/02/06/574260206.db2.gz TYOMQLINJYLCNR-UHFFFAOYSA-N 0 0 298.386 2.873 20 10 CFCDRN CCc1nnc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756778044 574262335 /nfs/dbraw/zinc/26/23/35/574262335.db2.gz LVHWVDCJSNMUEI-IUCAKERBSA-N 0 0 278.331 2.624 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788580 574263439 /nfs/dbraw/zinc/26/34/39/574263439.db2.gz XKBCXJIYTONFIP-FIXISWKDSA-N 0 0 294.351 2.766 20 10 CFCDRN CCO[C@@H](CC)C(=O)NCCCSc1nccs1 ZINC000733974849 574266319 /nfs/dbraw/zinc/26/63/19/574266319.db2.gz MYDXCFGJCIKBCL-JTQLQIEISA-N 0 0 288.438 2.557 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840578 574266739 /nfs/dbraw/zinc/26/67/39/574266739.db2.gz XTJYCXGJHQMWAF-JTQLQIEISA-N 0 0 275.348 2.772 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000756835113 574266789 /nfs/dbraw/zinc/26/67/89/574266789.db2.gz MSZZLCUGEIAJNE-LHLIQPBNSA-N 0 0 299.239 2.898 20 10 CFCDRN C[C@H](Nc1cnn(CCO)c1)c1ccc2ccccc2c1O ZINC000756855028 574268807 /nfs/dbraw/zinc/26/88/07/574268807.db2.gz JXYWGAWGKPFCDB-LBPRGKRZSA-N 0 0 297.358 2.907 20 10 CFCDRN CCOc1ccc(N(C)C/C=C(\C)C(=O)OC)cc1 ZINC000748821974 574269785 /nfs/dbraw/zinc/26/97/85/574269785.db2.gz VPRUCYDQBNJBOY-ZRDIBKRKSA-N 0 0 263.337 2.641 20 10 CFCDRN Cc1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000740959650 574276001 /nfs/dbraw/zinc/27/60/01/574276001.db2.gz HHKAAFIAGCHDAA-UHFFFAOYSA-N 0 0 255.320 2.576 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)[nH]1 ZINC000734402907 574285405 /nfs/dbraw/zinc/28/54/05/574285405.db2.gz RWRGFGWQMNGTBG-UHFFFAOYSA-N 0 0 285.391 2.936 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000741554265 574295847 /nfs/dbraw/zinc/29/58/47/574295847.db2.gz WDGKZWNIGWLQJS-LLVKDONJSA-N 0 0 290.338 2.905 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000741554266 574295854 /nfs/dbraw/zinc/29/58/54/574295854.db2.gz WDGKZWNIGWLQJS-NSHDSACASA-N 0 0 290.338 2.905 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)OC)cc1 ZINC000749476568 574297398 /nfs/dbraw/zinc/29/73/98/574297398.db2.gz SGCPKSPQVXHMFV-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN Cc1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000734865453 574305443 /nfs/dbraw/zinc/30/54/43/574305443.db2.gz SOVITPVDPMBNNS-UHFFFAOYSA-N 0 0 261.346 2.735 20 10 CFCDRN O=C(N[C@H]1C[C@H]1Cc1ccccc1)C1=CC(=O)CS1 ZINC000743632531 574308285 /nfs/dbraw/zinc/30/82/85/574308285.db2.gz IAYWABOGMAPPTK-YPMHNXCESA-N 0 0 273.357 2.815 20 10 CFCDRN CCCCNC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000725815704 574315589 /nfs/dbraw/zinc/31/55/89/574315589.db2.gz MBJULEBXVYYSRG-UHFFFAOYSA-N 0 0 296.386 2.965 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CCCCO1 ZINC000742249564 574321383 /nfs/dbraw/zinc/32/13/83/574321383.db2.gz WKLQAVASOWIZEU-UHFFFAOYSA-N 0 0 288.391 2.795 20 10 CFCDRN COc1ccc(N2CCC(Nc3cccnn3)CC2)cc1 ZINC000742256173 574321989 /nfs/dbraw/zinc/32/19/89/574321989.db2.gz BKHWYEMZPBGHRJ-UHFFFAOYSA-N 0 0 284.363 2.566 20 10 CFCDRN COc1ccc(CN[C@@H](C)c2nc(C)no2)cc1C ZINC000725841765 574324832 /nfs/dbraw/zinc/32/48/32/574324832.db2.gz BMLXSRDQPADBNE-JTQLQIEISA-N 0 0 261.325 2.546 20 10 CFCDRN O=C(C[C@H]1CCOc2ccccc21)NCc1ccccc1O ZINC000735516117 574328687 /nfs/dbraw/zinc/32/86/87/574328687.db2.gz JLDIQOLKKMYMOT-CYBMUJFWSA-N 0 0 297.354 2.965 20 10 CFCDRN CSCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000736008937 574347495 /nfs/dbraw/zinc/34/74/95/574347495.db2.gz MBKGDCYPKZQTFM-UHFFFAOYSA-N 0 0 284.400 2.651 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]cn2)cc1 ZINC000725879546 574348066 /nfs/dbraw/zinc/34/80/66/574348066.db2.gz JIENTKMIWGQRHE-UHFFFAOYSA-N 0 0 286.379 2.528 20 10 CFCDRN Cc1ccccc1O[C@H](C)CNC(=O)C1=CC(=O)CS1 ZINC000743718828 574371305 /nfs/dbraw/zinc/37/13/05/574371305.db2.gz SMKCBBFLRWVADY-LLVKDONJSA-N 0 0 291.372 2.959 20 10 CFCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(F)c1 ZINC000743716738 574371347 /nfs/dbraw/zinc/37/13/47/574371347.db2.gz LLZIIIJWXSICIT-VIFPVBQESA-N 0 0 295.335 2.790 20 10 CFCDRN C/C=C(\C)C(=O)NCCCSc1nccs1 ZINC000751194730 574371510 /nfs/dbraw/zinc/37/15/10/574371510.db2.gz AMLANBGWPHCJLO-YCRREMRBSA-N 0 0 256.396 2.708 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)OCC(F)F)cs2)cc1 ZINC000751946021 574385476 /nfs/dbraw/zinc/38/54/76/574385476.db2.gz VYCQBXRJRYOHTB-UHFFFAOYSA-N 0 0 298.314 2.738 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCOC1 ZINC000752418733 574391213 /nfs/dbraw/zinc/39/12/13/574391213.db2.gz NKTPILBAJWHZDB-OAHLLOKOSA-N 0 0 298.386 2.921 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)ccc1O ZINC000753567698 574404760 /nfs/dbraw/zinc/40/47/60/574404760.db2.gz HOCYSTQVODBWOR-CYBMUJFWSA-N 0 0 297.782 2.867 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1F ZINC000753602013 574406056 /nfs/dbraw/zinc/40/60/56/574406056.db2.gz ZCYNPXDFTBKDHJ-UHFFFAOYSA-N 0 0 286.297 2.553 20 10 CFCDRN O=C([O-])CCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000819406483 597137937 /nfs/dbraw/zinc/13/79/37/597137937.db2.gz IXJOWQQGQQBBHL-UHFFFAOYSA-N 0 0 271.744 2.780 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2c(O)cccc21 ZINC000935429006 649907004 /nfs/dbraw/zinc/90/70/04/649907004.db2.gz QCCGXBLBZZCZRM-NNNHXZLVSA-N 0 0 297.358 2.679 20 10 CFCDRN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccccc1O ZINC000086735343 597733176 /nfs/dbraw/zinc/73/31/76/597733176.db2.gz DCEUDCDGEZMMIY-VOMCLLRMSA-N 0 0 263.337 2.686 20 10 CFCDRN O=C([O-])[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000821511406 598129012 /nfs/dbraw/zinc/12/90/12/598129012.db2.gz JWJUHMPKBSDLDN-OAHLLOKOSA-N 0 0 288.391 2.583 20 10 CFCDRN Cc1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1O ZINC000821112394 598193169 /nfs/dbraw/zinc/19/31/69/598193169.db2.gz YCMSOZGTSUZGII-UHFFFAOYSA-N 0 0 271.316 2.689 20 10 CFCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000043430867 598196426 /nfs/dbraw/zinc/19/64/26/598196426.db2.gz CTLXNIAIBITKHU-RISCZKNCSA-N 0 0 264.369 2.512 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000821045801 598219960 /nfs/dbraw/zinc/21/99/60/598219960.db2.gz BYZVBDCSXVIUEQ-INIZCTEOSA-N 0 0 285.343 2.925 20 10 CFCDRN CCOc1ccc(CNC(C)(C)C(F)F)c(O)c1 ZINC000793256634 629515674 /nfs/dbraw/zinc/51/56/74/629515674.db2.gz YJLOVZJKFLTEQH-UHFFFAOYSA-N 0 0 259.296 2.924 20 10 CFCDRN CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000826992310 604316075 /nfs/dbraw/zinc/31/60/75/604316075.db2.gz HDICKXWXSBLEQT-JSGCOSHPSA-N 0 0 291.395 2.546 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000826992311 604316532 /nfs/dbraw/zinc/31/65/32/604316532.db2.gz HDICKXWXSBLEQT-OCCSQVGLSA-N 0 0 291.395 2.546 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000826992312 604316603 /nfs/dbraw/zinc/31/66/03/604316603.db2.gz HDICKXWXSBLEQT-TZMCWYRMSA-N 0 0 291.395 2.546 20 10 CFCDRN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1O ZINC000250094410 604679405 /nfs/dbraw/zinc/67/94/05/604679405.db2.gz YUFGOMVHOBPLHC-BNOWGMLFSA-N 0 0 275.348 2.610 20 10 CFCDRN C[C@@H](C[N@H+](Cc1cc(Cl)ccc1O)C1CC1)C(=O)[O-] ZINC000833516396 605750480 /nfs/dbraw/zinc/75/04/80/605750480.db2.gz MMFJBXJYYLZKLM-VIFPVBQESA-N 0 0 283.755 2.731 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000935944404 649963850 /nfs/dbraw/zinc/96/38/50/649963850.db2.gz RFTNXAKNEJYOHD-FDYHWXHSSA-N 0 0 294.391 2.786 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)CC=CC1 ZINC000935944422 649963873 /nfs/dbraw/zinc/96/38/73/649963873.db2.gz RQWWBDHSCPHZRL-UHFFFAOYSA-N 0 0 280.364 2.850 20 10 CFCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760076 617836920 /nfs/dbraw/zinc/83/69/20/617836920.db2.gz ZXPGZBYXIREMRG-ZJUUUORDSA-N 0 0 285.771 2.580 20 10 CFCDRN CC1=C(C(=O)NCc2cccc(Cl)c2O)SCCO1 ZINC000890759148 617837259 /nfs/dbraw/zinc/83/72/59/617837259.db2.gz DWHRCYBCHFLSMQ-UHFFFAOYSA-N 0 0 299.779 2.657 20 10 CFCDRN CCC1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760513 617838193 /nfs/dbraw/zinc/83/81/93/617838193.db2.gz RSCMQFGUQRJHBH-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CC12CCC2 ZINC000890760736 617838216 /nfs/dbraw/zinc/83/82/16/617838216.db2.gz YDRZTWFCBXKLAA-SNVBAGLBSA-N 0 0 265.740 2.852 20 10 CFCDRN CC(C)(C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000307774376 618096847 /nfs/dbraw/zinc/09/68/47/618096847.db2.gz MHWPSHPBOAGBNP-LLVKDONJSA-N 0 0 277.364 2.996 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)cc1[O-] ZINC000286109981 617624870 /nfs/dbraw/zinc/62/48/70/617624870.db2.gz NQCFWSDHMLCGGC-ZRQNBYAXSA-N 0 0 265.328 2.892 20 10 CFCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)NCc1c(O)cccc1F ZINC000924360145 617625424 /nfs/dbraw/zinc/62/54/24/617625424.db2.gz UFABZADRLVHLTI-NEPJUHHUSA-N 0 0 292.354 2.767 20 10 CFCDRN CCn1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000840841704 617772169 /nfs/dbraw/zinc/77/21/69/617772169.db2.gz ZAWMTXFOQAKTCI-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](F)C2)cc1OC ZINC000804687125 617811720 /nfs/dbraw/zinc/81/17/20/617811720.db2.gz JNAMCCGTPSCETB-VIFPVBQESA-N 0 0 284.287 2.550 20 10 CFCDRN C[C@@H]1CCCC[C@]1(C)NC(=O)c1cccc(O)c1O ZINC000308721302 617827578 /nfs/dbraw/zinc/82/75/78/617827578.db2.gz CUBYCYNETYRRKE-BMIGLBTASA-N 0 0 263.337 2.796 20 10 CFCDRN O=C(CC[C@@H]1CCCO1)NCc1cccc(Cl)c1O ZINC000890757752 617834892 /nfs/dbraw/zinc/83/48/92/617834892.db2.gz KMNBCUMGYBKWIW-NSHDSACASA-N 0 0 283.755 2.621 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000890761439 617839726 /nfs/dbraw/zinc/83/97/26/617839726.db2.gz SCWOYFVVXMPHTP-URLYPYJESA-N 0 0 265.740 2.708 20 10 CFCDRN O=C(/C=C/C1CC1)NCc1cc(Br)ccc1O ZINC000804734244 617856433 /nfs/dbraw/zinc/85/64/33/617856433.db2.gz GLZUDEGGPWPKFM-ZZXKWVIFSA-N 0 0 296.164 2.737 20 10 CFCDRN C/C=C/C=C\C(=O)NCc1cc(Br)ccc1O ZINC000804735702 617856885 /nfs/dbraw/zinc/85/68/85/617856885.db2.gz HGNAYTXVGJCPJX-IAROGAJJSA-N 0 0 296.164 2.903 20 10 CFCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843427871 617881349 /nfs/dbraw/zinc/88/13/49/617881349.db2.gz VPJWXPBMTXQZEG-PWSUYJOCSA-N 0 0 271.788 2.932 20 10 CFCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843427874 617881521 /nfs/dbraw/zinc/88/15/21/617881521.db2.gz VPJWXPBMTXQZEG-ZYHUDNBSSA-N 0 0 271.788 2.932 20 10 CFCDRN CN(Cc1cccc2c1OCCO2)c1ccc2c(c1)OCO2 ZINC000121270834 617905593 /nfs/dbraw/zinc/90/55/93/617905593.db2.gz CMIAZEKJJDJTNN-UHFFFAOYSA-N 0 0 299.326 2.823 20 10 CFCDRN CC(C)(CNC(=O)NCCc1ccc(N)cc1)CC(F)F ZINC000892039693 617922764 /nfs/dbraw/zinc/92/27/64/617922764.db2.gz XJXYGLDWLKVLOX-UHFFFAOYSA-N 0 0 299.365 2.792 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC3(C)C)ccc21 ZINC000119636234 617941396 /nfs/dbraw/zinc/94/13/96/617941396.db2.gz OYTGWVMCEJDRNF-CQSZACIVSA-N 0 0 272.392 2.731 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CCC2)c1 ZINC000176652320 617986818 /nfs/dbraw/zinc/98/68/18/617986818.db2.gz ODTUSERTSINPEI-LLVKDONJSA-N 0 0 292.379 2.951 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)c(O)c1O ZINC000177671097 618015973 /nfs/dbraw/zinc/01/59/73/618015973.db2.gz RQRYCIDLABSFQK-ONGXEEELSA-N 0 0 263.337 2.715 20 10 CFCDRN O=C(NCCCSc1nccs1)NCC1CCC1 ZINC000177773287 618104562 /nfs/dbraw/zinc/10/45/62/618104562.db2.gz BWYWXMKZVFVEJU-UHFFFAOYSA-N 0 0 285.438 2.725 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000779226520 618114843 /nfs/dbraw/zinc/11/48/43/618114843.db2.gz SWISZKMFXGNQBH-NOZJJQNGSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000779226525 618115082 /nfs/dbraw/zinc/11/50/82/618115082.db2.gz SWISZKMFXGNQBH-RNCFNFMXSA-N 0 0 287.762 2.825 20 10 CFCDRN Nc1ccc(NC(=O)NCc2nccc3c2CCCC3)cc1 ZINC000926140542 618169208 /nfs/dbraw/zinc/16/92/08/618169208.db2.gz BEUNWVIDOKVENP-UHFFFAOYSA-N 0 0 296.374 2.864 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H]2CCCc3cccnc32)cc1 ZINC000926140339 618169217 /nfs/dbraw/zinc/16/92/17/618169217.db2.gz ABMAZECOMYZWJV-AWEZNQCLSA-N 0 0 282.347 2.863 20 10 CFCDRN COCCOc1ccccc1NCc1nccn1C1CC1 ZINC000892347699 618172124 /nfs/dbraw/zinc/17/21/24/618172124.db2.gz DIXLJGLPQAUAIT-UHFFFAOYSA-N 0 0 287.363 2.855 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC1CCCC1 ZINC000891399009 618185393 /nfs/dbraw/zinc/18/53/93/618185393.db2.gz HYYQKQVGYWFDPN-UHFFFAOYSA-N 0 0 268.744 2.787 20 10 CFCDRN CSc1cc(C(=O)N(C)Cc2ccccc2O)ccn1 ZINC000097123381 618205488 /nfs/dbraw/zinc/20/54/88/618205488.db2.gz JZSNVGZMDITWOG-UHFFFAOYSA-N 0 0 288.372 2.781 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1ccco1 ZINC000255364397 618213645 /nfs/dbraw/zinc/21/36/45/618213645.db2.gz TUGHGDAHAKQDSC-HJWRWDBZSA-N 0 0 257.289 2.657 20 10 CFCDRN CC(C)N1CC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850000459 618222711 /nfs/dbraw/zinc/22/27/11/618222711.db2.gz VTKYDQGEBMCOBU-ZETCQYMHSA-N 0 0 276.814 2.898 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccco2)cc1 ZINC000268826554 618227178 /nfs/dbraw/zinc/22/71/78/618227178.db2.gz POTBYZQQAQZWGE-UHFFFAOYSA-N 0 0 286.375 2.985 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000924029592 618252477 /nfs/dbraw/zinc/25/24/77/618252477.db2.gz APRDEZYAOHMYJM-OVUMGMCSSA-N 0 0 287.359 2.519 20 10 CFCDRN Cc1cc(F)ccc1C=C1SC(=S)NC1=O ZINC000255661483 618254773 /nfs/dbraw/zinc/25/47/73/618254773.db2.gz OURBUIKBLQBIOW-WEVVVXLNSA-N 0 0 253.323 2.623 20 10 CFCDRN Cc1cncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000160175593 618258563 /nfs/dbraw/zinc/25/85/63/618258563.db2.gz AYBRUCMJLVPMSW-RMKNXTFCSA-N 0 0 295.386 2.786 20 10 CFCDRN Cc1ccc(C(=O)N(C)c2ccccc2)c(O)c1O ZINC000179380700 618268335 /nfs/dbraw/zinc/26/83/35/618268335.db2.gz YSOBMGXMQYEKGI-UHFFFAOYSA-N 0 0 257.289 2.683 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccccc2F)c(O)c1O ZINC000179382276 618269122 /nfs/dbraw/zinc/26/91/22/618269122.db2.gz WTFUKQKGHUMYDL-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN CC(C)(C)C[N@H+](CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894005438 618270817 /nfs/dbraw/zinc/27/08/17/618270817.db2.gz GIPOXVXOFFYLKY-UHFFFAOYSA-N 0 0 287.350 2.901 20 10 CFCDRN Cc1cc(C(=O)Nc2cnns2)c(C)n1-c1ccccn1 ZINC000189599655 618342262 /nfs/dbraw/zinc/34/22/62/618342262.db2.gz YJMLGTVMWPOMCU-UHFFFAOYSA-N 0 0 299.359 2.593 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3cccc(N)c3)ccc21 ZINC000178741092 618358779 /nfs/dbraw/zinc/35/87/79/618358779.db2.gz ZZYTYFKNCFNIBP-UHFFFAOYSA-N 0 0 295.386 2.581 20 10 CFCDRN COc1ccc(N(C)Cc2c3c(nn2C)CCC3)cc1 ZINC000895138532 618367679 /nfs/dbraw/zinc/36/76/79/618367679.db2.gz OIDFQYHGZFKQML-UHFFFAOYSA-N 0 0 271.364 2.554 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C)nc2C2CC2)cc1 ZINC000895138960 618368980 /nfs/dbraw/zinc/36/89/80/618368980.db2.gz WIFCPAZGOUKVPS-UHFFFAOYSA-N 0 0 271.364 2.943 20 10 CFCDRN C/C=C(\CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000190724120 618378762 /nfs/dbraw/zinc/37/87/62/618378762.db2.gz ISZJWIOUVLFKBQ-QZULDAKNSA-N 0 0 263.337 2.934 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000179869069 618379609 /nfs/dbraw/zinc/37/96/09/618379609.db2.gz UHMJGHCXBZMIDN-CQSZACIVSA-N 0 0 262.397 2.754 20 10 CFCDRN COC[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013161999 618402951 /nfs/dbraw/zinc/40/29/51/618402951.db2.gz JRPZAWRMSIDZDX-SECBINFHSA-N 0 0 294.376 2.687 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(O)c2)cc1 ZINC000177517630 618438018 /nfs/dbraw/zinc/43/80/18/618438018.db2.gz NKBBFNNOHWESSX-UHFFFAOYSA-N 0 0 284.359 2.730 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000066057115 618439349 /nfs/dbraw/zinc/43/93/49/618439349.db2.gz KQUABEHIOGHLLB-HNNXBMFYSA-N 0 0 290.407 2.829 20 10 CFCDRN Cc1ccccc1CNC(=O)c1ccc(C)c(O)c1O ZINC000177661632 618468496 /nfs/dbraw/zinc/46/84/96/618468496.db2.gz PFELQZXSBJJBRE-UHFFFAOYSA-N 0 0 271.316 2.645 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccccc2N(C)C)c(O)c1O ZINC000177670776 618469461 /nfs/dbraw/zinc/46/94/61/618469461.db2.gz BPWVHERPKDGSQZ-UHFFFAOYSA-N 0 0 286.331 2.725 20 10 CFCDRN CCc1nc(NC(=O)c2ccc(C)c(O)c2O)sc1C ZINC000177672854 618471835 /nfs/dbraw/zinc/47/18/35/618471835.db2.gz CFFOLTMAYPPSTM-UHFFFAOYSA-N 0 0 292.360 2.986 20 10 CFCDRN CN(C(=O)COc1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000314359919 618789957 /nfs/dbraw/zinc/78/99/57/618789957.db2.gz WJMURLCSOPTFBF-UHFFFAOYSA-N 0 0 296.370 2.799 20 10 CFCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cncc(O)c1 ZINC000182049161 618888915 /nfs/dbraw/zinc/88/89/15/618888915.db2.gz LTLDDSXVMXDUCK-HWKANZROSA-N 0 0 296.326 2.534 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cccc(O)c1 ZINC000182436578 625301095 /nfs/dbraw/zinc/30/10/95/625301095.db2.gz WVPQAYBGTDYLOT-UHFFFAOYSA-N 0 0 294.401 2.761 20 10 CFCDRN Cc1cc(C)nc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000182857181 618901218 /nfs/dbraw/zinc/90/12/18/618901218.db2.gz DZBPRWOBARGOAT-UHFFFAOYSA-N 0 0 272.304 2.670 20 10 CFCDRN CO[C@H](C)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000309961725 618908186 /nfs/dbraw/zinc/90/81/86/618908186.db2.gz LOVOOSNVYSUSAT-SECBINFHSA-N 0 0 288.185 2.669 20 10 CFCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000311332957 618935147 /nfs/dbraw/zinc/93/51/47/618935147.db2.gz DRAUTPXOXKJDFA-GHMZBOCLSA-N 0 0 263.337 2.749 20 10 CFCDRN Cc1cc(O)c(CN2CCn3cncc3C2)c(Cl)c1 ZINC000840946106 619107875 /nfs/dbraw/zinc/10/78/75/619107875.db2.gz GFHISYFHVPOVLS-UHFFFAOYSA-N 0 0 277.755 2.566 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CC(C)(C)OC1=O ZINC000840949677 619119878 /nfs/dbraw/zinc/11/98/78/619119878.db2.gz BGALMPLFZMZIBO-HNNXBMFYSA-N 0 0 290.407 2.587 20 10 CFCDRN FC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000840955792 619137623 /nfs/dbraw/zinc/13/76/23/619137623.db2.gz ZNPFSJIDJPTJOO-KRWDZBQOSA-N 0 0 292.398 2.847 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]ccc2c1 ZINC000182517307 625322156 /nfs/dbraw/zinc/32/21/56/625322156.db2.gz BBYRUVQKVDMPHP-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2c1CCC2 ZINC000182540154 625328304 /nfs/dbraw/zinc/32/83/04/625328304.db2.gz XESIMIYTVWLELK-UHFFFAOYSA-N 0 0 283.327 2.517 20 10 CFCDRN CCOC(=O)CCCN(CC)c1ccc(OC)c(OC)c1 ZINC000726597697 619253209 /nfs/dbraw/zinc/25/32/09/619253209.db2.gz WJTJBGJBUKELFL-UHFFFAOYSA-N 0 0 295.379 2.873 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000237121761 619271799 /nfs/dbraw/zinc/27/17/99/619271799.db2.gz HGSDQXZCABKWOT-UHFFFAOYSA-N 0 0 295.386 2.651 20 10 CFCDRN CCOC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000832431500 625332099 /nfs/dbraw/zinc/33/20/99/625332099.db2.gz PQXGXAGWSWVBSK-CYBMUJFWSA-N 0 0 290.407 2.889 20 10 CFCDRN Cc1ccncc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000832430455 625332224 /nfs/dbraw/zinc/33/22/24/625332224.db2.gz DTZJGOYCOFAISC-AWEZNQCLSA-N 0 0 297.402 2.876 20 10 CFCDRN Cc1noc2ncc(CN(C)c3ccc4c(c3)OCO4)cc12 ZINC000894429843 619382159 /nfs/dbraw/zinc/38/21/59/619382159.db2.gz PQMRTHVDQZPCIM-UHFFFAOYSA-N 0 0 297.314 2.896 20 10 CFCDRN COc1cccc(CNCc2nc(C(C)(C)C)co2)c1O ZINC000894457497 619390379 /nfs/dbraw/zinc/39/03/79/619390379.db2.gz CNWKYVAUJUAXJY-UHFFFAOYSA-N 0 0 290.363 2.976 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000894689763 619444510 /nfs/dbraw/zinc/44/45/10/619444510.db2.gz HXIKROFMUVVVLU-UONOGXRCSA-N 0 0 283.318 2.814 20 10 CFCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894760092 619456884 /nfs/dbraw/zinc/45/68/84/619456884.db2.gz HQXURKCYFUUYSM-IAQYHMDHSA-N 0 0 296.361 2.729 20 10 CFCDRN COC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1O)CC(C)C ZINC000894791595 619464911 /nfs/dbraw/zinc/46/49/11/619464911.db2.gz UPEJILMABMPEQZ-CQSZACIVSA-N 0 0 279.380 2.626 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000894867913 619491244 /nfs/dbraw/zinc/49/12/44/619491244.db2.gz FRKZSCYWKHSMJU-LLVKDONJSA-N 0 0 296.361 2.587 20 10 CFCDRN COc1ccc(F)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000182589595 625354873 /nfs/dbraw/zinc/35/48/73/625354873.db2.gz KCPNZVRQQRWIQA-UHFFFAOYSA-N 0 0 291.278 2.806 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC000895525865 619547095 /nfs/dbraw/zinc/54/70/95/619547095.db2.gz BXBOOGRXUZOBDR-CJNGLKHVSA-N 0 0 290.407 2.526 20 10 CFCDRN Cc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000895817199 619614243 /nfs/dbraw/zinc/61/42/43/619614243.db2.gz HAJZANDGEJGBPV-QRTARXTBSA-N 0 0 291.391 2.517 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000895854373 619623259 /nfs/dbraw/zinc/62/32/59/619623259.db2.gz KJFWDLBTPYNKPX-GXTWGEPZSA-N 0 0 299.798 2.577 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC000896056364 619663011 /nfs/dbraw/zinc/66/30/11/619663011.db2.gz DITHCBPTSADGOI-DOMZBBRYSA-N 0 0 277.364 2.556 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC12CCC2 ZINC000896319377 619717290 /nfs/dbraw/zinc/71/72/90/619717290.db2.gz SDWWEKJPCXPOFU-LLVKDONJSA-N 0 0 280.755 2.787 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000182684986 625368459 /nfs/dbraw/zinc/36/84/59/625368459.db2.gz XHRWRLTWSJULAI-ZDUSSCGKSA-N 0 0 284.407 2.653 20 10 CFCDRN Oc1ccc(F)cc1CN[C@H](c1ncccn1)C1CC1 ZINC000896600395 619772195 /nfs/dbraw/zinc/77/21/95/619772195.db2.gz WYBHYHMJCWJZJY-AWEZNQCLSA-N 0 0 273.311 2.562 20 10 CFCDRN C[C@]1(C[NH2+]Cc2c([O-])cccc2F)CCCS1 ZINC000896636890 619780047 /nfs/dbraw/zinc/78/00/47/619780047.db2.gz GHTPNESTWNKLBI-CYBMUJFWSA-N 0 0 255.358 2.907 20 10 CFCDRN COC1CCC(C[NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896636879 619780080 /nfs/dbraw/zinc/78/00/80/619780080.db2.gz GDSJRPOTFDVTFW-UHFFFAOYSA-N 0 0 267.344 2.826 20 10 CFCDRN CC(C)(C)n1cc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896639286 619780829 /nfs/dbraw/zinc/78/08/29/619780829.db2.gz CNFGEEWPUKGAJM-UHFFFAOYSA-N 0 0 277.343 2.773 20 10 CFCDRN C[C@H](CSCCF)[NH2+]Cc1c([O-])cccc1F ZINC000896639049 619780995 /nfs/dbraw/zinc/78/09/95/619780995.db2.gz TXUKVUYZUUVLCP-SECBINFHSA-N 0 0 261.337 2.712 20 10 CFCDRN CC(C)(C)c1cc2n(n1)CCN(Cc1ccccc1O)C2 ZINC000896943224 619901649 /nfs/dbraw/zinc/90/16/49/619901649.db2.gz RNMMTJKNYIQWAV-UHFFFAOYSA-N 0 0 285.391 2.902 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)(F)C1 ZINC000897315684 619983594 /nfs/dbraw/zinc/98/35/94/619983594.db2.gz MPUZEPMVHUSDPV-UHFFFAOYSA-N 0 0 299.298 2.794 20 10 CFCDRN Cc1nc(C(C)C)oc1C(=O)NCc1c(O)cccc1F ZINC000928705232 619995170 /nfs/dbraw/zinc/99/51/70/619995170.db2.gz FBBDPTSFKUPLQJ-UHFFFAOYSA-N 0 0 292.310 2.881 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928709212 619996228 /nfs/dbraw/zinc/99/62/28/619996228.db2.gz YUHDYDPWTYNRKG-UWVGGRQHSA-N 0 0 251.301 2.584 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1csc(C2CC2)n1 ZINC000928712557 619997106 /nfs/dbraw/zinc/99/71/06/619997106.db2.gz SRDHZIQOXYLCLV-UHFFFAOYSA-N 0 0 292.335 2.795 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000163266147 619999001 /nfs/dbraw/zinc/99/90/01/619999001.db2.gz IPUUVKMEPXDVOP-CYBMUJFWSA-N 0 0 277.412 2.986 20 10 CFCDRN CCCCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728984436 620048224 /nfs/dbraw/zinc/04/82/24/620048224.db2.gz PTIHPSZUCCFATG-SNVBAGLBSA-N 0 0 251.326 2.768 20 10 CFCDRN COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000079585305 620048678 /nfs/dbraw/zinc/04/86/78/620048678.db2.gz IWFAPNNPBXTYAH-ZETCQYMHSA-N 0 0 294.178 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897389479 620091346 /nfs/dbraw/zinc/09/13/46/620091346.db2.gz WIMJLFJARGIENJ-XHDPSFHLSA-N 0 0 279.767 2.847 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998358 620117726 /nfs/dbraw/zinc/11/77/26/620117726.db2.gz AHQYREVLPNJEIL-QGZVFWFLSA-N 0 0 290.407 2.829 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841744223 620185835 /nfs/dbraw/zinc/18/58/35/620185835.db2.gz GGSKYDHNFYRBGD-JQWIXIFHSA-N 0 0 268.788 2.790 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCOC1 ZINC000179202328 620214864 /nfs/dbraw/zinc/21/48/64/620214864.db2.gz HQYLUAZEFKKPEZ-GFCCVEGCSA-N 0 0 290.388 2.674 20 10 CFCDRN C[C@@H](N[C@H](C)c1ccc(Cl)cc1O)c1ncnn1C ZINC000841751891 620217751 /nfs/dbraw/zinc/21/77/51/620217751.db2.gz LETPFLHWYOIXHD-RKDXNWHRSA-N 0 0 280.759 2.586 20 10 CFCDRN c1csc(SC[C@@H]2CC3(CO2)CCOCC3)n1 ZINC000865352444 620240284 /nfs/dbraw/zinc/24/02/84/620240284.db2.gz MESXGOJZOQEJCO-JTQLQIEISA-N 0 0 271.407 2.821 20 10 CFCDRN C[N@@H+]1C[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@]2(C)C1 ZINC000897621448 620260848 /nfs/dbraw/zinc/26/08/48/620260848.db2.gz BOXPMEIDBJJTSO-BMIGLBTASA-N 0 0 298.789 2.568 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897952672 620310079 /nfs/dbraw/zinc/31/00/79/620310079.db2.gz IRDIPKRWLRIVHZ-JIMOISOXSA-N 0 0 262.309 2.579 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898159928 620340776 /nfs/dbraw/zinc/34/07/76/620340776.db2.gz JUJGVSLABXEMND-UHFFFAOYSA-N 0 0 279.286 2.938 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000322959666 620395234 /nfs/dbraw/zinc/39/52/34/620395234.db2.gz UGZBIJIHCQOVRR-YGRLFVJLSA-N 0 0 255.333 2.997 20 10 CFCDRN COc1ccc(N(CC[S@](C)=O)[C@H](C)C2CC2)cc1 ZINC000787728110 620415890 /nfs/dbraw/zinc/41/58/90/620415890.db2.gz BSRTWKUQLAFVMA-BLVKFPJESA-N 0 0 281.421 2.679 20 10 CFCDRN CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040672182 620417911 /nfs/dbraw/zinc/41/79/11/620417911.db2.gz GPFUODHBOKJAGW-LLVKDONJSA-N 0 0 289.206 2.883 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927016606 620439852 /nfs/dbraw/zinc/43/98/52/620439852.db2.gz IYJROKBHFWUNCZ-ZYHUDNBSSA-N 0 0 282.340 2.502 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000927019204 620440227 /nfs/dbraw/zinc/44/02/27/620440227.db2.gz CXMSOCWTLCMSGT-QWRGUYRKSA-N 0 0 255.333 2.733 20 10 CFCDRN COc1ccc(C[NH2+]C/C=C\Cl)cc1Cn1cccn1 ZINC000898424216 620461263 /nfs/dbraw/zinc/46/12/63/620461263.db2.gz CGGIFYLXVLKFJG-KXFIGUGUSA-N 0 0 291.782 2.782 20 10 CFCDRN C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000898419484 620462000 /nfs/dbraw/zinc/46/20/00/620462000.db2.gz CGNKBQNWWNTJSC-YGRLFVJLSA-N 0 0 285.359 2.855 20 10 CFCDRN CC(C)OC(=O)C(C)(C)NCc1ccc2c(c1)CCCO2 ZINC000898506614 620472255 /nfs/dbraw/zinc/47/22/55/620472255.db2.gz WEWIABAFJMCJMP-UHFFFAOYSA-N 0 0 291.391 2.831 20 10 CFCDRN CC(C)Cn1ccc(C(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000899181649 620528432 /nfs/dbraw/zinc/52/84/32/620528432.db2.gz JCCQQJDHAIPHEK-LBPRGKRZSA-N 0 0 287.363 2.736 20 10 CFCDRN C[C@H]1CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899199398 620530273 /nfs/dbraw/zinc/53/02/73/620530273.db2.gz DHZZFIXZOJUXQK-ZETCQYMHSA-N 0 0 263.318 2.547 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](CF)C1 ZINC000899206598 620531380 /nfs/dbraw/zinc/53/13/80/620531380.db2.gz SEXUOLCZEZPMTC-QMMMGPOBSA-N 0 0 295.335 2.744 20 10 CFCDRN CCc1onc(C)c1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000899260294 620538444 /nfs/dbraw/zinc/53/84/44/620538444.db2.gz BHUZTPZYWSIFCU-WDZFZDKYSA-N 0 0 294.401 2.909 20 10 CFCDRN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)o1 ZINC000899342597 620546918 /nfs/dbraw/zinc/54/69/18/620546918.db2.gz ALDYFDBPMNMMNG-PKNBQFBNSA-N 0 0 292.360 2.744 20 10 CFCDRN Clc1cnc(SC[C@@H]2C[C@H]3COC[C@@H]3O2)s1 ZINC000901583558 620869248 /nfs/dbraw/zinc/86/92/48/620869248.db2.gz UEMBINFUAOFVLY-FXQIFTODSA-N 0 0 277.798 2.693 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nccnc1C1CC1 ZINC000902171659 620993031 /nfs/dbraw/zinc/99/30/31/620993031.db2.gz ROHMGLQPCFMDNW-UHFFFAOYSA-N 0 0 277.274 2.950 20 10 CFCDRN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)ccc1O ZINC000902468924 621100403 /nfs/dbraw/zinc/10/04/03/621100403.db2.gz YJDSLANESLAMJD-RUZUBIRVSA-N 0 0 280.799 2.979 20 10 CFCDRN CCOC(=O)[C@@H]1C[C@H]1COc1ccc(N2CCCC2)cc1 ZINC000902716869 621154972 /nfs/dbraw/zinc/15/49/72/621154972.db2.gz ICJNUSRHVMOOCN-XJKSGUPXSA-N 0 0 289.375 2.865 20 10 CFCDRN Cc1c2cc(OCCO[C@H]3CCOC3)ccc2n(C)c1C ZINC000902754301 621165262 /nfs/dbraw/zinc/16/52/62/621165262.db2.gz ZEMVGWVRLZCWBU-HNNXBMFYSA-N 0 0 289.375 2.979 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H](C)c2cn(C)nn2)cc1 ZINC000902756423 621165894 /nfs/dbraw/zinc/16/58/94/621165894.db2.gz ZBIUIBTYJGDKEO-CYBMUJFWSA-N 0 0 287.411 2.512 20 10 CFCDRN CC(C)[C@H](N[C@@H](C)c1c(O)cccc1F)c1nncn1C ZINC000903063725 621238177 /nfs/dbraw/zinc/23/81/77/621238177.db2.gz HKXOIKKULQGKEI-HZMBPMFUSA-N 0 0 292.358 2.708 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000903296377 621312929 /nfs/dbraw/zinc/31/29/29/621312929.db2.gz HLAVYNNOVKVYPW-BFHYXJOUSA-N 0 0 299.798 2.890 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903317748 621330735 /nfs/dbraw/zinc/33/07/35/621330735.db2.gz MIVRMFIBGYHUCO-VHSXEESVSA-N 0 0 288.313 2.766 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1ccc(F)cc1[O-] ZINC000903336795 621333305 /nfs/dbraw/zinc/33/33/05/621333305.db2.gz FAOLTBQCBILAPN-CYBMUJFWSA-N 0 0 293.342 2.514 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccc(F)cc1[O-] ZINC000903390154 621360160 /nfs/dbraw/zinc/36/01/60/621360160.db2.gz ZGFFUQWFPXAEQA-KBPBESRZSA-N 0 0 294.370 2.583 20 10 CFCDRN CCc1nn(C)cc1CN1CCc2cc(OC)ccc21 ZINC000183390542 625484712 /nfs/dbraw/zinc/48/47/12/625484712.db2.gz RQGUIVOJFCUJNO-UHFFFAOYSA-N 0 0 271.364 2.554 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSC(C)(C)C ZINC000183434801 625490531 /nfs/dbraw/zinc/49/05/31/625490531.db2.gz PHNZDMNMXVUZHO-SNVBAGLBSA-N 0 0 297.420 2.677 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1F ZINC000183471392 625503117 /nfs/dbraw/zinc/50/31/17/625503117.db2.gz OIEHERWQKAQZQH-JTQLQIEISA-N 0 0 289.306 2.598 20 10 CFCDRN CCOc1ccccc1NC[C@H](O)CCC1(O)CCC1 ZINC000905294822 621733676 /nfs/dbraw/zinc/73/36/76/621733676.db2.gz LFJXINMKTMJRKU-CYBMUJFWSA-N 0 0 279.380 2.553 20 10 CFCDRN C[C@H](NCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000164084904 621739085 /nfs/dbraw/zinc/73/90/85/621739085.db2.gz QDRRNRDOTKMQBD-LBPRGKRZSA-N 0 0 278.396 2.745 20 10 CFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)Cc2ccccc2O1 ZINC000832814560 625525438 /nfs/dbraw/zinc/52/54/38/625525438.db2.gz GBWWURVZQOLQTM-SNVBAGLBSA-N 0 0 289.356 2.877 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2(C3CC3)CCC2)c1 ZINC000907059063 622081661 /nfs/dbraw/zinc/08/16/61/622081661.db2.gz FKEJINPPBCKAMK-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C2CC2)CCC1 ZINC000907275007 622104454 /nfs/dbraw/zinc/10/44/54/622104454.db2.gz UVTDXFFEQNMEFZ-LLVKDONJSA-N 0 0 289.375 2.725 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000907493220 622131699 /nfs/dbraw/zinc/13/16/99/622131699.db2.gz OSWIPXUIWKPWRB-DVOMOZLQSA-N 0 0 290.407 2.745 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(CC(F)(F)F)C1CC1 ZINC000908272132 622210247 /nfs/dbraw/zinc/21/02/47/622210247.db2.gz SDSKHUCQFWSUGE-UHFFFAOYSA-N 0 0 265.256 2.621 20 10 CFCDRN CC(C(=O)NCc1ccc(O)cc1O)=C1CCCC1 ZINC000910950950 622489351 /nfs/dbraw/zinc/48/93/51/622489351.db2.gz MCQZRPYGHBSVBE-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN C[C@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910951924 622489421 /nfs/dbraw/zinc/48/94/21/622489421.db2.gz YMMDWVSXAANNBT-QWRGUYRKSA-N 0 0 263.337 2.540 20 10 CFCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910945014 622491638 /nfs/dbraw/zinc/49/16/38/622491638.db2.gz SGXUBUNLJSSTOV-LBPRGKRZSA-N 0 0 295.379 2.699 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1[C@H]2CCCCCC[C@H]12 ZINC000910944874 622491652 /nfs/dbraw/zinc/49/16/52/622491652.db2.gz YBTADNCCLRPZCP-KBPBESRZSA-N 0 0 289.375 2.930 20 10 CFCDRN CC(C)(Nc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000911783051 622551426 /nfs/dbraw/zinc/55/14/26/622551426.db2.gz PGDMLFDQSKXAFQ-UHFFFAOYSA-N 0 0 297.402 2.818 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000911760749 622551671 /nfs/dbraw/zinc/55/16/71/622551671.db2.gz GJLKPBYJAWBXGH-GFCCVEGCSA-N 0 0 275.396 2.740 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3nccc(C)n3)C2)cc1 ZINC000819934312 622576482 /nfs/dbraw/zinc/57/64/82/622576482.db2.gz DVEFYUFJWPUEHV-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000820409717 622666367 /nfs/dbraw/zinc/66/63/67/622666367.db2.gz ZJPOITDKONZQDC-AOOOYVTPSA-N 0 0 274.324 2.577 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)/C=C(\C)Cl)C2)cc1 ZINC000912292688 622676864 /nfs/dbraw/zinc/67/68/64/622676864.db2.gz ORPTVLGGYVPWME-LMMOQWNQSA-N 0 0 294.782 2.533 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCC1CSC1 ZINC000923818524 622784429 /nfs/dbraw/zinc/78/44/29/622784429.db2.gz CYMGZZZGVRLYOC-UHFFFAOYSA-N 0 0 294.420 2.677 20 10 CFCDRN C[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000820938737 622799872 /nfs/dbraw/zinc/79/98/72/622799872.db2.gz DSBPUFZLFLOWKH-CMPLNLGQSA-N 0 0 292.331 2.650 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2CCC=CCC2)c1 ZINC000821066290 622838728 /nfs/dbraw/zinc/83/87/28/622838728.db2.gz XGLIKIMUEGAOPT-UHFFFAOYSA-N 0 0 275.348 2.763 20 10 CFCDRN CCC[C@H](CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000821070418 622839601 /nfs/dbraw/zinc/83/96/01/622839601.db2.gz BEDTWPFATMYZPW-NSHDSACASA-N 0 0 251.326 2.540 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+]CCCCn1ccnc1 ZINC000045105466 622965033 /nfs/dbraw/zinc/96/50/33/622965033.db2.gz MBEZZWDITQRKDP-UHFFFAOYSA-N 0 0 279.771 2.812 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)C)cc1 ZINC000056185471 622974790 /nfs/dbraw/zinc/97/47/90/622974790.db2.gz SZKDPVRWQGIEIG-UHFFFAOYSA-N 0 0 277.412 2.988 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCc2ccccc2C1 ZINC000223500331 622989037 /nfs/dbraw/zinc/98/90/37/622989037.db2.gz CHWFTQYDDHENPJ-OAHLLOKOSA-N 0 0 281.355 2.814 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1F ZINC000187609382 622995125 /nfs/dbraw/zinc/99/51/25/622995125.db2.gz ADXFLJNLORXOMG-SOFGYWHQSA-N 0 0 287.338 2.549 20 10 CFCDRN C[C@@H](CO)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224939709 623019736 /nfs/dbraw/zinc/01/97/36/623019736.db2.gz TZGFMVLBBPPLTK-SNVBAGLBSA-N 0 0 257.761 2.544 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000157315145 623028501 /nfs/dbraw/zinc/02/85/01/623028501.db2.gz QQYMTIRPOPHESQ-CQSZACIVSA-N 0 0 290.407 2.923 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2ccccn2)cc1F ZINC000058514985 623051362 /nfs/dbraw/zinc/05/13/62/623051362.db2.gz KRNNAWPMAUBOKJ-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1O ZINC000157827334 623071102 /nfs/dbraw/zinc/07/11/02/623071102.db2.gz RRNWKMWSFDWGGZ-UHFFFAOYSA-N 0 0 279.683 2.961 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000822296972 623073692 /nfs/dbraw/zinc/07/36/92/623073692.db2.gz PJNCXARCIIOZNY-IPYPFGDCSA-N 0 0 288.391 2.970 20 10 CFCDRN CNC(=O)c1ccc(C)c(NCc2cc(F)ccc2O)c1 ZINC000226581277 623083304 /nfs/dbraw/zinc/08/33/04/623083304.db2.gz FUYVCMWZGWLNLN-UHFFFAOYSA-N 0 0 288.322 2.811 20 10 CFCDRN CCC[C@@H](OC)c1noc(Cc2ccc(N)cc2)n1 ZINC000227315825 623106264 /nfs/dbraw/zinc/10/62/64/623106264.db2.gz FATKICJCKPGFPP-GFCCVEGCSA-N 0 0 261.325 2.730 20 10 CFCDRN O=C(CSc1nccs1)N1CCc2sccc2C1 ZINC000060741123 623151491 /nfs/dbraw/zinc/15/14/91/623151491.db2.gz QAYHRLUWYNESFI-UHFFFAOYSA-N 0 0 296.442 2.882 20 10 CFCDRN CS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000229398636 623202023 /nfs/dbraw/zinc/20/20/23/623202023.db2.gz PEJFKIGRWDRZNR-ZYHUDNBSSA-N 0 0 281.377 2.502 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C2CC2)c1 ZINC000171729415 623240346 /nfs/dbraw/zinc/24/03/46/623240346.db2.gz OEONJOYMVUINFW-NXEZZACHSA-N 0 0 278.352 2.560 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000230665794 623289830 /nfs/dbraw/zinc/28/98/30/623289830.db2.gz STSIOLWWIHDVQC-CUOATXAZSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000062748378 623295681 /nfs/dbraw/zinc/29/56/81/623295681.db2.gz NOMIQBGXRABLKA-GFCCVEGCSA-N 0 0 277.343 2.859 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCC2)c1 ZINC000173132327 623334939 /nfs/dbraw/zinc/33/49/39/623334939.db2.gz GCXQOWMNKMSPAY-JTQLQIEISA-N 0 0 263.337 2.768 20 10 CFCDRN CCOC(=O)CN(Cc1ccccc1O)[C@H]1C=CCCC1 ZINC000823581781 623352497 /nfs/dbraw/zinc/35/24/97/623352497.db2.gz PMAHYOOJRKAOOQ-HNNXBMFYSA-N 0 0 289.375 2.866 20 10 CFCDRN CCc1cccc(C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000823730324 623387534 /nfs/dbraw/zinc/38/75/34/623387534.db2.gz TUICWSQRGVARCR-UHFFFAOYSA-N 0 0 283.375 2.640 20 10 CFCDRN CN1C(=O)/C(=C/c2csc(C3CC3)n2)SC1=S ZINC000063822824 623389997 /nfs/dbraw/zinc/38/99/97/623389997.db2.gz JHWHOVWAZAMMAQ-YWEYNIOJSA-N 0 0 282.415 2.852 20 10 CFCDRN CC1(C)C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000088138139 623437848 /nfs/dbraw/zinc/43/78/48/623437848.db2.gz GJKPJWBFXZVUQL-UHFFFAOYSA-N 0 0 289.206 2.883 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCF ZINC000824234960 623473719 /nfs/dbraw/zinc/47/37/19/623473719.db2.gz YPHKECNJASTOHP-UHFFFAOYSA-N 0 0 266.360 2.851 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC2CC3(CCC3)C2)cc1 ZINC000824252518 623477476 /nfs/dbraw/zinc/47/74/76/623477476.db2.gz DHHXVBRSHHHLHF-UHFFFAOYSA-N 0 0 286.335 2.912 20 10 CFCDRN COC(=O)c1cnc(SCC2(O)CCCCC2)s1 ZINC000834382534 625649622 /nfs/dbraw/zinc/64/96/22/625649622.db2.gz MVQWDUFAKDSUAW-UHFFFAOYSA-N 0 0 287.406 2.717 20 10 CFCDRN CCOc1ccc(O)c(CN[C@@H](CC)C(F)F)c1 ZINC000824508175 623513709 /nfs/dbraw/zinc/51/37/09/623513709.db2.gz BFZWIGSLLZTDJD-NSHDSACASA-N 0 0 259.296 2.924 20 10 CFCDRN Cc1cc(Br)c(O)c(CNC(CF)CF)c1 ZINC000824554646 623516515 /nfs/dbraw/zinc/51/65/15/623516515.db2.gz JNBXSJFIBNFKBS-UHFFFAOYSA-N 0 0 294.139 2.860 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000824527362 623517549 /nfs/dbraw/zinc/51/75/49/623517549.db2.gz USGPOUHHIGQKPO-NSHDSACASA-N 0 0 281.718 2.616 20 10 CFCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637719 623537206 /nfs/dbraw/zinc/53/72/06/623537206.db2.gz ZJGWBRCJGLXEQF-CABZTGNLSA-N 0 0 287.762 2.778 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CC(CC3CC3)C2)cc1 ZINC000824811678 623569519 /nfs/dbraw/zinc/56/95/19/623569519.db2.gz HMMRHOOABXGDIO-UHFFFAOYSA-N 0 0 286.335 2.721 20 10 CFCDRN C[C@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)c1ccccc1O ZINC000913763832 623581440 /nfs/dbraw/zinc/58/14/40/623581440.db2.gz SOLDXCIDCPDFTE-RYUDHWBXSA-N 0 0 299.374 2.662 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2(C)CC(F)(F)C2)c1 ZINC000824903869 623584947 /nfs/dbraw/zinc/58/49/47/623584947.db2.gz FLYGWZZVYISZJX-UHFFFAOYSA-N 0 0 269.291 2.752 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000824978732 623598729 /nfs/dbraw/zinc/59/87/29/623598729.db2.gz ZMAKQHACTZRJLU-GWCFXTLKSA-N 0 0 264.325 2.682 20 10 CFCDRN COc1ccc(CN[C@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017370 623608322 /nfs/dbraw/zinc/60/83/22/623608322.db2.gz PUFQJJGQIVAEIQ-OCCSQVGLSA-N 0 0 271.364 2.996 20 10 CFCDRN CCc1nc(CNCc2cc(Cl)ccc2O)co1 ZINC000825051032 623617085 /nfs/dbraw/zinc/61/70/85/623617085.db2.gz UQFXHTXHLSQZJY-UHFFFAOYSA-N 0 0 266.728 2.886 20 10 CFCDRN COc1cccnc1CNCc1ccc(N(C)C)c(F)c1 ZINC000825249286 623658857 /nfs/dbraw/zinc/65/88/57/623658857.db2.gz ACGDHAZTVMPSLL-UHFFFAOYSA-N 0 0 289.354 2.585 20 10 CFCDRN CC(C)[N@@H+]1CC[C@H](N(C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338375 623676752 /nfs/dbraw/zinc/67/67/52/623676752.db2.gz PJJLHDZMKIYSFK-ZDUSSCGKSA-N 0 0 282.815 2.960 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnc(C)n1C ZINC000825461876 623698941 /nfs/dbraw/zinc/69/89/41/623698941.db2.gz RGNBTIXJAZUAHQ-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000825542747 623712430 /nfs/dbraw/zinc/71/24/30/623712430.db2.gz YSISGXJZQAIINL-VHSXEESVSA-N 0 0 281.327 2.793 20 10 CFCDRN 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625194837 /nfs/dbraw/zinc/19/48/37/625194837.db2.gz PGUVJYQIHKNRGH-FIXISWKDSA-N 0 0 295.379 2.639 20 10 CFCDRN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2=CC(=O)CS2)C1 ZINC000832189389 625240028 /nfs/dbraw/zinc/24/00/28/625240028.db2.gz IAMCARWUFCTUOZ-BMIGLBTASA-N 0 0 297.420 2.761 20 10 CFCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1cccc(F)c1 ZINC000185694305 625761382 /nfs/dbraw/zinc/76/13/82/625761382.db2.gz GYSAAWLXIXHMMB-UHFFFAOYSA-N 0 0 289.306 2.902 20 10 CFCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000185807909 625780757 /nfs/dbraw/zinc/78/07/57/625780757.db2.gz LPLGFLCPIKRFFX-DGCLKSJQSA-N 0 0 295.404 2.892 20 10 CFCDRN COCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186133987 625850275 /nfs/dbraw/zinc/85/02/75/625850275.db2.gz JGTOWARUVHHUBO-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834830668 625891051 /nfs/dbraw/zinc/89/10/51/625891051.db2.gz GFDUVOHLUAQGAX-PELKAZGASA-N 0 0 279.290 2.663 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000840763409 625905836 /nfs/dbraw/zinc/90/58/36/625905836.db2.gz GPRVNUAPZPEAFG-INTQDDNPSA-N 0 0 271.307 2.889 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1ccc(F)cc1[O-] ZINC000834881018 625908268 /nfs/dbraw/zinc/90/82/68/625908268.db2.gz YFFTYZWDBNEBCT-PJODQICGSA-N 0 0 297.370 2.624 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000834882647 625908542 /nfs/dbraw/zinc/90/85/42/625908542.db2.gz SJNNSQLLRCGVHY-YGRLFVJLSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(F)cc1[O-] ZINC000834887201 625909583 /nfs/dbraw/zinc/90/95/83/625909583.db2.gz YWWPYXVEKITZCM-NSHDSACASA-N 0 0 285.334 2.948 20 10 CFCDRN CC(C)OC(=O)[C@@H](N[C@H]1CCc2cccc(O)c21)C(C)C ZINC000834886284 625909724 /nfs/dbraw/zinc/90/97/24/625909724.db2.gz RIMMMOKXNWNQJP-BBRMVZONSA-N 0 0 291.391 2.945 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000834895304 625912331 /nfs/dbraw/zinc/91/23/31/625912331.db2.gz ASYXNKGRZYNQSC-IAQYHMDHSA-N 0 0 291.370 2.937 20 10 CFCDRN CCc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834900376 625915655 /nfs/dbraw/zinc/91/56/55/625915655.db2.gz PEEPXHPLMIRJRY-SECBINFHSA-N 0 0 291.307 2.702 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834903182 625916279 /nfs/dbraw/zinc/91/62/79/625916279.db2.gz GADZRYGDSYNINI-SNVBAGLBSA-N 0 0 296.367 2.748 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000834905187 625916981 /nfs/dbraw/zinc/91/69/81/625916981.db2.gz RVLYEVUZKUQFAO-WMFXKJRFSA-N 0 0 294.351 2.765 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(F)cc1[O-] ZINC000834906938 625919231 /nfs/dbraw/zinc/91/92/31/625919231.db2.gz URURFMIQFSKLJI-HIFRSBDPSA-N 0 0 267.344 2.733 20 10 CFCDRN CO[C@H](C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851631767 634464805 /nfs/dbraw/zinc/46/48/05/634464805.db2.gz GZMJLKKNJWNUIC-INIZCTEOSA-N 0 0 290.407 2.523 20 10 CFCDRN CCCC[C@@H](NCc1ccc(C)cc1O)C(=O)OC ZINC000083482094 625946207 /nfs/dbraw/zinc/94/62/07/625946207.db2.gz ZKQGWDXSEUBIAP-CYBMUJFWSA-N 0 0 265.353 2.522 20 10 CFCDRN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1O ZINC000186189207 626012030 /nfs/dbraw/zinc/01/20/30/626012030.db2.gz CUJHOACGYZHJQP-DZGCQCFKSA-N 0 0 251.370 2.840 20 10 CFCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000227685759 626012312 /nfs/dbraw/zinc/01/23/12/626012312.db2.gz YGWQRTSFWBYXOT-VXGBXAGGSA-N 0 0 294.395 2.956 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccc(F)c2C#N)cc1 ZINC000186255208 626022346 /nfs/dbraw/zinc/02/23/46/626022346.db2.gz OTKMCXPUEBVMCJ-UHFFFAOYSA-N 0 0 297.333 2.693 20 10 CFCDRN CCOc1cccc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000922581910 626317176 /nfs/dbraw/zinc/31/71/76/626317176.db2.gz XRNWDNMTHHITIQ-HNNXBMFYSA-N 0 0 299.374 2.822 20 10 CFCDRN CCC(C)(C)OCCNC(=O)NCc1c(O)cccc1F ZINC000922823111 626374721 /nfs/dbraw/zinc/37/47/21/626374721.db2.gz VHKBROVOPDRNFR-UHFFFAOYSA-N 0 0 298.358 2.536 20 10 CFCDRN O=C(NCCc1cccc(Cl)c1)c1cccc(O)c1O ZINC000186779950 626398923 /nfs/dbraw/zinc/39/89/23/626398923.db2.gz IYQWPWDUVZVDMU-UHFFFAOYSA-N 0 0 291.734 2.724 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nc(C)n2)cc1OC ZINC000851735551 634501051 /nfs/dbraw/zinc/50/10/51/634501051.db2.gz XHROORYCQXEVLC-UHFFFAOYSA-N 0 0 287.363 2.747 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922898264 626422567 /nfs/dbraw/zinc/42/25/67/626422567.db2.gz XIJOTBFWUUICIN-XHDPSFHLSA-N 0 0 297.345 2.965 20 10 CFCDRN Cn1nc(CNCc2c(O)cccc2Cl)cc1C1CC1 ZINC000922956894 626432965 /nfs/dbraw/zinc/43/29/65/626432965.db2.gz DIUBGNQBXBSIKM-UHFFFAOYSA-N 0 0 291.782 2.946 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000838060852 626485218 /nfs/dbraw/zinc/48/52/18/626485218.db2.gz LICARBGLRKNACK-ZFWWWQNUSA-N 0 0 262.353 2.626 20 10 CFCDRN Cc1ccc(C(=O)N(C)C2CC(C)(C)C2)c(O)c1O ZINC000838145405 626488071 /nfs/dbraw/zinc/48/80/71/626488071.db2.gz BGMRDXADFSNGCZ-UHFFFAOYSA-N 0 0 263.337 2.667 20 10 CFCDRN C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC=CCC1 ZINC000838182600 626489037 /nfs/dbraw/zinc/48/90/37/626489037.db2.gz IKOHEDHNHUMULT-MRXNPFEDSA-N 0 0 290.315 2.570 20 10 CFCDRN CCC1(NC(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000838479233 626499068 /nfs/dbraw/zinc/49/90/68/626499068.db2.gz OXTUJFSEORAYAT-UHFFFAOYSA-N 0 0 275.396 2.803 20 10 CFCDRN CCn1nncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000838969372 626517571 /nfs/dbraw/zinc/51/75/71/626517571.db2.gz XDDWDVACXZNXDW-UHFFFAOYSA-N 0 0 274.368 2.722 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccn(C)n1 ZINC000839190321 626530584 /nfs/dbraw/zinc/53/05/84/626530584.db2.gz FSLWVLNXSLBEJJ-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ncccc1C ZINC000839349884 626534476 /nfs/dbraw/zinc/53/44/76/626534476.db2.gz QDBLJHPOIWUUEN-JLHYYAGUSA-N 0 0 282.347 2.636 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCc3c2cccc3Cl)cn1 ZINC000757018883 626543474 /nfs/dbraw/zinc/54/34/74/626543474.db2.gz XFLRISOIIYOOOJ-WAYWQWQTSA-N 0 0 287.750 2.676 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCCF)CCC2 ZINC000839656998 626549794 /nfs/dbraw/zinc/54/97/94/626549794.db2.gz XSOWGKMIRXADEJ-UHFFFAOYSA-N 0 0 253.317 2.816 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000103530309 626550924 /nfs/dbraw/zinc/55/09/24/626550924.db2.gz XNQZOYGPZQUQQF-MRVPVSSYSA-N 0 0 294.738 2.873 20 10 CFCDRN CCC[C@H]1C[NH2+]CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843058235 626552218 /nfs/dbraw/zinc/55/22/18/626552218.db2.gz PCXMFJUAKNEBDJ-JTQLQIEISA-N 0 0 286.778 2.759 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000757659456 626557413 /nfs/dbraw/zinc/55/74/13/626557413.db2.gz YPSKQZUDDZQCLG-NXEZZACHSA-N 0 0 271.307 2.748 20 10 CFCDRN CC(C)OCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000757687549 626558307 /nfs/dbraw/zinc/55/83/07/626558307.db2.gz QZZRTFGJNSSURI-SECBINFHSA-N 0 0 259.296 2.746 20 10 CFCDRN CCO[C@H](C)c1noc(COc2ccc(N(C)C)cc2)n1 ZINC000757701563 626558992 /nfs/dbraw/zinc/55/89/92/626558992.db2.gz BJIQFTIBYPLEHT-LLVKDONJSA-N 0 0 291.351 2.812 20 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CFCDRN Cc1cccnc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759593053 626674232 /nfs/dbraw/zinc/67/42/32/626674232.db2.gz IOCDZDLVWVHKKG-FNORWQNLSA-N 0 0 285.299 2.558 20 10 CFCDRN COc1nc(C)cc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000760510909 626751801 /nfs/dbraw/zinc/75/18/01/626751801.db2.gz TVPYWSAHPYFXIM-UHFFFAOYSA-N 0 0 298.390 2.788 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc[nH]1 ZINC000760864427 626779464 /nfs/dbraw/zinc/77/94/64/626779464.db2.gz VUMIROXMGYCIGK-NSHDSACASA-N 0 0 273.336 2.623 20 10 CFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cn[nH]c1 ZINC000761222816 626817282 /nfs/dbraw/zinc/81/72/82/626817282.db2.gz SCDAEWAJWPYUJG-UHFFFAOYSA-N 0 0 279.290 2.964 20 10 CFCDRN CN(CCOC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000761405711 626831690 /nfs/dbraw/zinc/83/16/90/626831690.db2.gz VSYKICXGSHIKFA-UHFFFAOYSA-N 0 0 277.345 2.747 20 10 CFCDRN Cc1ccc(O)c(CNc2cc3c(nn2)CCC3)c1 ZINC000762655395 626928609 /nfs/dbraw/zinc/92/86/09/626928609.db2.gz AVUZJNSRLMSWRY-UHFFFAOYSA-N 0 0 255.321 2.591 20 10 CFCDRN COc1cccc(CNC(=O)C=C2CCCCC2)c1O ZINC000762804808 626939338 /nfs/dbraw/zinc/93/93/38/626939338.db2.gz YYPWEVNJDDUQAD-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1cccc(CNC(=O)/C=C2/CC[C@@H](C)C2)c1O ZINC000762804849 626939394 /nfs/dbraw/zinc/93/93/94/626939394.db2.gz ZFDFPWXSLXZWRQ-ZGSOTFDTSA-N 0 0 275.348 2.763 20 10 CFCDRN C/C=C/C[C@@H](NCc1ccc(OC)c(C)c1)C(=O)OCC ZINC000763362635 626982901 /nfs/dbraw/zinc/98/29/01/626982901.db2.gz CGZDPZRCBVIJPA-KEDPEKRHSA-N 0 0 291.391 2.991 20 10 CFCDRN CC[C@@H](NCc1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000763501438 626992339 /nfs/dbraw/zinc/99/23/39/626992339.db2.gz MGCBZLRDBINGTJ-CYBMUJFWSA-N 0 0 279.380 2.911 20 10 CFCDRN COc1cccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000763507221 626993010 /nfs/dbraw/zinc/99/30/10/626993010.db2.gz PQWWHQLZHOCWBH-UHFFFAOYSA-N 0 0 299.374 2.539 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1CC2(CC2)C(=O)O1 ZINC000763662241 627003826 /nfs/dbraw/zinc/00/38/26/627003826.db2.gz QSHISFPQIGHNJU-CQSZACIVSA-N 0 0 287.359 2.544 20 10 CFCDRN COc1ccc(N(C)Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000851809051 634542688 /nfs/dbraw/zinc/54/26/88/634542688.db2.gz RFCIOXWJMIHIEK-UHFFFAOYSA-N 0 0 295.270 2.675 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CC2(F)F)cc1F ZINC000851808161 634542773 /nfs/dbraw/zinc/54/27/73/634542773.db2.gz LFVLLRCVQFLKKG-LBPRGKRZSA-N 0 0 275.270 2.695 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2COC(C)(C)O2)cc1Cl ZINC000851808745 634543118 /nfs/dbraw/zinc/54/31/18/634543118.db2.gz OVJVYTIUACJBEG-LLVKDONJSA-N 0 0 285.771 2.936 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccco1 ZINC000765466159 627140753 /nfs/dbraw/zinc/14/07/53/627140753.db2.gz DCBGFQMISQBRAL-UHFFFAOYSA-N 0 0 272.348 2.513 20 10 CFCDRN CN(Cc1ccccc1O)CC(F)(F)Br ZINC000851840370 634552906 /nfs/dbraw/zinc/55/29/06/634552906.db2.gz DVVLKKKVDAFHCG-UHFFFAOYSA-N 0 0 280.112 2.812 20 10 CFCDRN Cc1cccc2[nH]c(CNC(=O)C3=CC(=O)CS3)nc21 ZINC000766239585 627186309 /nfs/dbraw/zinc/18/63/09/627186309.db2.gz MSPBOGRGXPGSHZ-UHFFFAOYSA-N 0 0 287.344 2.568 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCCOC1 ZINC000768545006 627352554 /nfs/dbraw/zinc/35/25/54/627352554.db2.gz YORWEADLVVROJH-CYBMUJFWSA-N 0 0 261.365 2.874 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCc2ccccc21 ZINC000768915030 627385966 /nfs/dbraw/zinc/38/59/66/627385966.db2.gz RRNKULBPURLRBL-OAHLLOKOSA-N 0 0 297.354 2.834 20 10 CFCDRN CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)C1CCC1 ZINC000851882348 634570486 /nfs/dbraw/zinc/57/04/86/634570486.db2.gz VRXUFBJSDRXYFJ-KRWDZBQOSA-N 0 0 290.407 2.767 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cccc2[nH]ncc21 ZINC000769283315 627418713 /nfs/dbraw/zinc/41/87/13/627418713.db2.gz TXCCGBZNOJDQPI-UHFFFAOYSA-N 0 0 281.315 2.541 20 10 CFCDRN O=C(NCCCc1cccs1)NCc1ccccc1O ZINC000769732980 627470675 /nfs/dbraw/zinc/47/06/75/627470675.db2.gz VEJAWSVJCUOLAF-UHFFFAOYSA-N 0 0 290.388 2.886 20 10 CFCDRN CC(C)OC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000770687835 627541970 /nfs/dbraw/zinc/54/19/70/627541970.db2.gz FSMRVOAPMVZPJX-LBPRGKRZSA-N 0 0 299.798 2.671 20 10 CFCDRN Cc1cnc([C@@H](C)OC(=O)C2=CC(=O)CS2)o1 ZINC000770969772 627565440 /nfs/dbraw/zinc/56/54/40/627565440.db2.gz MRIXKOKYBNCSTH-SSDOTTSWSA-N 0 0 253.279 2.668 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C2CC2)cc1 ZINC000771033919 627571103 /nfs/dbraw/zinc/57/11/03/627571103.db2.gz QFPWNWZXMGRDLU-KRWDZBQOSA-N 0 0 298.386 2.595 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@](C)(O)C(C)C)cc1 ZINC000771212527 627584831 /nfs/dbraw/zinc/58/48/31/627584831.db2.gz BOTYLBBIPQQJFR-KRWDZBQOSA-N 0 0 292.423 2.556 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C\c1cncc(C)c1 ZINC000772151023 627679605 /nfs/dbraw/zinc/67/96/05/627679605.db2.gz BHRYBXNDOLQNJH-WAYWQWQTSA-N 0 0 271.320 2.671 20 10 CFCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773018856 627769788 /nfs/dbraw/zinc/76/97/88/627769788.db2.gz IRTHFLQJMAJVCZ-AWEZNQCLSA-N 0 0 297.402 2.876 20 10 CFCDRN C[C@H](NC(=O)c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000773019706 627769846 /nfs/dbraw/zinc/76/98/46/627769846.db2.gz ZGGMEMTVXSGAQZ-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN CSCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021820 627770447 /nfs/dbraw/zinc/77/04/47/627770447.db2.gz SUHCBIHLPFSQDR-LLVKDONJSA-N 0 0 266.410 2.683 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773028409 627771634 /nfs/dbraw/zinc/77/16/34/627771634.db2.gz ZNJCWDCNSZISHF-BXUZGUMPSA-N 0 0 278.421 2.825 20 10 CFCDRN C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773128973 627786326 /nfs/dbraw/zinc/78/63/26/627786326.db2.gz JFNUYLQXXWCQOC-RYUDHWBXSA-N 0 0 275.396 2.911 20 10 CFCDRN CCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773128524 627786381 /nfs/dbraw/zinc/78/63/81/627786381.db2.gz DYTPWWJWWBRNLK-GFCCVEGCSA-N 0 0 263.385 2.913 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773128971 627786811 /nfs/dbraw/zinc/78/68/11/627786811.db2.gz JFNUYLQXXWCQOC-NWDGAFQWSA-N 0 0 275.396 2.911 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773260251 627799534 /nfs/dbraw/zinc/79/95/34/627799534.db2.gz CBUFTMISFPMXEH-UHIISALHSA-N 0 0 261.369 2.521 20 10 CFCDRN CSC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773304561 627804258 /nfs/dbraw/zinc/80/42/58/627804258.db2.gz GOAFYAWJXCMEOH-NEPJUHHUSA-N 0 0 295.452 2.864 20 10 CFCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000773739500 627853231 /nfs/dbraw/zinc/85/32/31/627853231.db2.gz AWSYNIYVPMHZNV-MNOVXSKESA-N 0 0 277.364 2.581 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(F)F ZINC000773749577 627854501 /nfs/dbraw/zinc/85/45/01/627854501.db2.gz RAKGLCJQZLUKTA-SECBINFHSA-N 0 0 287.306 2.580 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C1CCCC1 ZINC000773767068 627856728 /nfs/dbraw/zinc/85/67/28/627856728.db2.gz JAVQUFQIXDWHDM-NEPJUHHUSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774233735 627907016 /nfs/dbraw/zinc/90/70/16/627907016.db2.gz RLZVPQIAQFCDGY-RQJHMYQMSA-N 0 0 291.178 2.614 20 10 CFCDRN CO[C@@H](CN(C)c1ccc(OC(C)C)cc1)[C@@H]1CCOC1 ZINC000851985512 634616546 /nfs/dbraw/zinc/61/65/46/634616546.db2.gz MXUJSOQEDWFUDR-PBHICJAKSA-N 0 0 293.407 2.962 20 10 CFCDRN CCO[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000774837137 627969560 /nfs/dbraw/zinc/96/95/60/627969560.db2.gz AYXSWJSSTCYTCF-ZDUSSCGKSA-N 0 0 291.372 2.961 20 10 CFCDRN C[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC000775130022 627995426 /nfs/dbraw/zinc/99/54/26/627995426.db2.gz KVRBVVAHIRLIJN-CYBMUJFWSA-N 0 0 294.358 2.824 20 10 CFCDRN c1ccn2nc(NCc3ccc(N4CCCC4)cc3)nc2c1 ZINC000775158192 627996750 /nfs/dbraw/zinc/99/67/50/627996750.db2.gz JFSCOGVEEBOKLB-UHFFFAOYSA-N 0 0 293.374 2.942 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nnc(C3CC3)o2)c1 ZINC000775374714 628016818 /nfs/dbraw/zinc/01/68/18/628016818.db2.gz DDPJBBBMMIEHEB-SECBINFHSA-N 0 0 289.335 2.512 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccncc1)c1ccc(N(C)C)cc1 ZINC000775402292 628021581 /nfs/dbraw/zinc/02/15/81/628021581.db2.gz CCJNHNWALHQLGC-CYBMUJFWSA-N 0 0 283.375 2.568 20 10 CFCDRN CCOC(=O)CC[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000775663269 628051153 /nfs/dbraw/zinc/05/11/53/628051153.db2.gz KTVBZDQWDYOTBH-UHFFFAOYSA-N 0 0 297.782 2.963 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775712381 628057818 /nfs/dbraw/zinc/05/78/18/628057818.db2.gz GRMDYHPNOGEKLH-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN Cc1cccc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000775719097 628059610 /nfs/dbraw/zinc/05/96/10/628059610.db2.gz CNFGGRLRUCATJM-CMPLNLGQSA-N 0 0 289.297 2.852 20 10 CFCDRN COc1ccc(CN2CCc3cc(OC)ccc32)nc1 ZINC000775984035 628090900 /nfs/dbraw/zinc/09/09/00/628090900.db2.gz IEVAAWXCMYHQMH-UHFFFAOYSA-N 0 0 270.332 2.662 20 10 CFCDRN COc1cc(O)c(CNc2ccc(C)cn2)cc1OC ZINC000776031825 628096176 /nfs/dbraw/zinc/09/61/76/628096176.db2.gz WFDBWEVJHVMZEZ-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776064981 628098358 /nfs/dbraw/zinc/09/83/58/628098358.db2.gz BYPMBRVKGAHDKW-JTQLQIEISA-N 0 0 277.755 2.556 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776065963 628098676 /nfs/dbraw/zinc/09/86/76/628098676.db2.gz MTRUQCNETRJVHK-SECBINFHSA-N 0 0 295.745 2.696 20 10 CFCDRN Cc1cc(Br)cc(CNc2cnn(C)c2)c1O ZINC000776168450 628110289 /nfs/dbraw/zinc/11/02/89/628110289.db2.gz IWXRCBHWZSOGMF-UHFFFAOYSA-N 0 0 296.168 2.809 20 10 CFCDRN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776220762 628118862 /nfs/dbraw/zinc/11/88/62/628118862.db2.gz ZVVNIIRQUYTEAC-PWSUYJOCSA-N 0 0 271.788 2.932 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776220764 628119116 /nfs/dbraw/zinc/11/91/16/628119116.db2.gz ZVVNIIRQUYTEAC-ZYHUDNBSSA-N 0 0 271.788 2.932 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776257657 628122806 /nfs/dbraw/zinc/12/28/06/628122806.db2.gz ZXARAFDYLCRWGB-GXFFZTMASA-N 0 0 269.772 2.950 20 10 CFCDRN Cc1cccc(CNc2ccc(N3CCCC3=O)cn2)c1O ZINC000776253072 628123127 /nfs/dbraw/zinc/12/31/27/628123127.db2.gz NLPHFEPMWWCMMH-UHFFFAOYSA-N 0 0 297.358 2.835 20 10 CFCDRN C[C@H](CO)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776254541 628123212 /nfs/dbraw/zinc/12/32/12/628123212.db2.gz YXBRRPLOKNAALN-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN O=C(OC/C=C/c1ccccc1)c1cccc(O)c1O ZINC000776281512 628125782 /nfs/dbraw/zinc/12/57/82/628125782.db2.gz FYYMCQZBNVSSJP-VMPITWQZSA-N 0 0 270.284 2.968 20 10 CFCDRN COc1ccc(COC(=O)c2cccc(O)c2O)cc1F ZINC000776278654 628126060 /nfs/dbraw/zinc/12/60/60/628126060.db2.gz CUNJZWIRKVONKR-UHFFFAOYSA-N 0 0 292.262 2.603 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000776474259 628152779 /nfs/dbraw/zinc/15/27/79/628152779.db2.gz NSBKYZBPLSQRTN-ZIAGYGMSSA-N 0 0 291.391 2.946 20 10 CFCDRN CC(C)c1nnc2c(NCc3ccccc3O)nccn21 ZINC000777743028 628250780 /nfs/dbraw/zinc/25/07/80/628250780.db2.gz OZLFDTHNNHQATR-UHFFFAOYSA-N 0 0 283.335 2.565 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](F)C2)cc1OC ZINC000778000628 628272037 /nfs/dbraw/zinc/27/20/37/628272037.db2.gz QZOXCNIYOQRFJT-UWVGGRQHSA-N 0 0 298.314 2.796 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccc(Cl)cn2)c(O)c1O ZINC000778113560 628278258 /nfs/dbraw/zinc/27/82/58/628278258.db2.gz NRHAOVJHUVNGCM-UHFFFAOYSA-N 0 0 293.706 2.812 20 10 CFCDRN C/C(=C/C(=O)NCc1ccc(O)c(O)c1)C(C)(C)C ZINC000778916289 628339696 /nfs/dbraw/zinc/33/96/96/628339696.db2.gz AUDHJHLNRCWMOU-YFHOEESVSA-N 0 0 263.337 2.706 20 10 CFCDRN Cc1ccc(Cl)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778922512 628339768 /nfs/dbraw/zinc/33/97/68/628339768.db2.gz GIMKQPBXLJGDTB-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN Cc1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(O)c1 ZINC000779102091 628352335 /nfs/dbraw/zinc/35/23/35/628352335.db2.gz VKAPZOHAXGDGDK-GFCCVEGCSA-N 0 0 299.374 2.653 20 10 CFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC=CCC1 ZINC000779159202 628356985 /nfs/dbraw/zinc/35/69/85/628356985.db2.gz BUFATFMYIIKYKD-UHFFFAOYSA-N 0 0 268.154 2.917 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC=CCC2)c1[O-] ZINC000779159643 628357295 /nfs/dbraw/zinc/35/72/95/628357295.db2.gz OPDAWSXJYSWZSM-UHFFFAOYSA-N 0 0 268.700 2.716 20 10 CFCDRN CC(C)N(CC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779500789 628385528 /nfs/dbraw/zinc/38/55/28/628385528.db2.gz ZAECUCXPPLSZMO-SOFGYWHQSA-N 0 0 275.348 2.758 20 10 CFCDRN CC(C)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779500876 628385546 /nfs/dbraw/zinc/38/55/46/628385546.db2.gz SJMISWMAEMXZDY-STMXVASLSA-N 0 0 275.348 2.758 20 10 CFCDRN CS[C@@H]1CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779523720 628386462 /nfs/dbraw/zinc/38/64/62/628386462.db2.gz FCDWXYQTRCQYJF-ACYZNUEOSA-N 0 0 293.388 2.511 20 10 CFCDRN CC[C@H](CO)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779730689 628397421 /nfs/dbraw/zinc/39/74/21/628397421.db2.gz ICTIZIMTQNIMFZ-OAHLLOKOSA-N 0 0 292.423 2.510 20 10 CFCDRN CCC[C@@H]1C[C@H](C(=O)NCc2ccccc2O)CCO1 ZINC000780451093 628465618 /nfs/dbraw/zinc/46/56/18/628465618.db2.gz MRHDCHSMRIWJST-TZMCWYRMSA-N 0 0 277.364 2.604 20 10 CFCDRN Cc1cccc(CN2CCN3CCOc4cccc2c43)c1O ZINC000780781716 628496960 /nfs/dbraw/zinc/49/69/60/628496960.db2.gz LBDDMLWKKMFQEH-UHFFFAOYSA-N 0 0 296.370 2.920 20 10 CFCDRN C[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000780790099 628498051 /nfs/dbraw/zinc/49/80/51/628498051.db2.gz TYNMKFRWLAHXDE-WCQYABFASA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c(O)c1O ZINC000780858796 628500542 /nfs/dbraw/zinc/50/05/42/628500542.db2.gz BBDONNKXHXIAIU-UHFFFAOYSA-N 0 0 283.287 2.535 20 10 CFCDRN COC1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000780901675 628503444 /nfs/dbraw/zinc/50/34/44/628503444.db2.gz MFNCCNALVUOBHG-UHFFFAOYSA-N 0 0 277.364 2.556 20 10 CFCDRN Cc1ccc(C(=O)NCCCC(C)(C)C)c(O)c1O ZINC000780949691 628507334 /nfs/dbraw/zinc/50/73/34/628507334.db2.gz MVNYRJDEMINZLE-UHFFFAOYSA-N 0 0 265.353 2.962 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c(O)c1O ZINC000780953060 628508111 /nfs/dbraw/zinc/50/81/11/628508111.db2.gz DYISCZSWJQRSBY-UKRRQHHQSA-N 0 0 297.354 2.767 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)c(O)c1O ZINC000780959703 628508647 /nfs/dbraw/zinc/50/86/47/628508647.db2.gz CWOMCKKAVOPGKH-AWEZNQCLSA-N 0 0 297.354 2.863 20 10 CFCDRN Cc1nc(C)c(NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000780959130 628508697 /nfs/dbraw/zinc/50/86/97/628508697.db2.gz HGRVBKMIOSFGJS-UHFFFAOYSA-N 0 0 278.333 2.732 20 10 CFCDRN CCC1(CNC(=O)c2ccc(C)c(O)c2O)CCC1 ZINC000780964685 628508971 /nfs/dbraw/zinc/50/89/71/628508971.db2.gz JAQJLPJMBOTGAG-UHFFFAOYSA-N 0 0 263.337 2.716 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)c1ccc(C)c(O)c1O ZINC000781011830 628512954 /nfs/dbraw/zinc/51/29/54/628512954.db2.gz AUICBLKIMCWYQF-UHFFFAOYSA-N 0 0 283.327 2.918 20 10 CFCDRN CC(C)(CC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000781807394 628582982 /nfs/dbraw/zinc/58/29/82/628582982.db2.gz QETXGJVVLHBKDZ-UHFFFAOYSA-N 0 0 277.242 2.559 20 10 CFCDRN COCc1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000782148168 628607751 /nfs/dbraw/zinc/60/77/51/628607751.db2.gz YTLNEDPKOMLFJM-UHFFFAOYSA-N 0 0 296.374 2.611 20 10 CFCDRN CSC1(C(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000783591827 628724755 /nfs/dbraw/zinc/72/47/55/628724755.db2.gz YSLPQMSJKYTOAT-UHFFFAOYSA-N 0 0 292.448 2.963 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@H](C)O1 ZINC000783738437 628740308 /nfs/dbraw/zinc/74/03/08/628740308.db2.gz VKHWCXOJFSRBKS-AGIUHOORSA-N 0 0 280.387 2.889 20 10 CFCDRN C[C@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783854869 628750160 /nfs/dbraw/zinc/75/01/60/628750160.db2.gz KFWTVKRYVAFKKM-CMPLNLGQSA-N 0 0 292.331 2.650 20 10 CFCDRN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000783869963 628752419 /nfs/dbraw/zinc/75/24/19/628752419.db2.gz SFCYHWXIJRQVEW-SECBINFHSA-N 0 0 291.269 2.805 20 10 CFCDRN CC1(C)C(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C ZINC000783959112 628758057 /nfs/dbraw/zinc/75/80/57/628758057.db2.gz GHKKPNDBTXTWAU-UHFFFAOYSA-N 0 0 292.331 2.506 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCN(C)c2ccccc21 ZINC000783977728 628759265 /nfs/dbraw/zinc/75/92/65/628759265.db2.gz TUOXHXPSOGWMHV-BQYQJAHWSA-N 0 0 293.370 2.886 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000784144508 628783210 /nfs/dbraw/zinc/78/32/10/628783210.db2.gz IZVYUHAKUBPQKL-HNNXBMFYSA-N 0 0 278.371 2.897 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1c(F)ccc(O)c1O ZINC000839807783 628869503 /nfs/dbraw/zinc/86/95/03/628869503.db2.gz UCNZRWJLZZFXTP-WDEREUQCSA-N 0 0 293.338 2.793 20 10 CFCDRN CCOc1cccc(COC(=O)C2=CC(=O)CS2)n1 ZINC000785316722 628875844 /nfs/dbraw/zinc/87/58/44/628875844.db2.gz MUYYGALDKFISCU-UHFFFAOYSA-N 0 0 279.317 2.604 20 10 CFCDRN CN(C)c1ccc(CN2C[C@H](CO)Oc3ccccc32)cc1 ZINC000785709681 628907293 /nfs/dbraw/zinc/90/72/93/628907293.db2.gz MYPBFMXHSQHQKI-MRXNPFEDSA-N 0 0 298.386 2.513 20 10 CFCDRN CCn1ncnc1CN(CC(C)C)c1ccc(OC)cc1 ZINC000785738056 628909472 /nfs/dbraw/zinc/90/94/72/628909472.db2.gz UVQZOKYLONVURG-UHFFFAOYSA-N 0 0 288.395 2.969 20 10 CFCDRN Cc1noc(C)c1N(C)Cc1ccc(N(C)C)cc1 ZINC000785756192 628911183 /nfs/dbraw/zinc/91/11/83/628911183.db2.gz LFESFVSNKNNVFS-UHFFFAOYSA-N 0 0 259.353 2.994 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCC(=O)c2ccccc21 ZINC000786394552 628953385 /nfs/dbraw/zinc/95/33/85/628953385.db2.gz VMYOPNXYLPSKRO-HNNXBMFYSA-N 0 0 295.338 2.769 20 10 CFCDRN COc1ccc2[nH]c(C(=O)NCc3ccccc3O)cc2c1 ZINC000787130956 628995317 /nfs/dbraw/zinc/99/53/17/628995317.db2.gz DOSRHBPXWXAWGB-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN CN(Cc1ccc(F)cn1)c1ccc2c(c1)OCO2 ZINC000787270588 629003339 /nfs/dbraw/zinc/00/33/39/629003339.db2.gz LOHKITSIHZROMC-UHFFFAOYSA-N 0 0 260.268 2.586 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000787406235 629011392 /nfs/dbraw/zinc/01/13/92/629011392.db2.gz MEAOTOHEMHOQSA-NYMYIZQJSA-N 0 0 290.363 2.560 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(SC)CCC2)c1 ZINC000787447370 629013389 /nfs/dbraw/zinc/01/33/89/629013389.db2.gz XUUCPVNAFIKIIP-SNVBAGLBSA-N 0 0 295.404 2.864 20 10 CFCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000787490750 629016137 /nfs/dbraw/zinc/01/61/37/629016137.db2.gz KGOOKNHEGSOIIN-NSHDSACASA-N 0 0 290.285 2.875 20 10 CFCDRN Cc1cc(C(=O)OC[C@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000787569331 629019192 /nfs/dbraw/zinc/01/91/92/629019192.db2.gz AJHIGLKGHFOTFY-NSHDSACASA-N 0 0 291.322 2.771 20 10 CFCDRN Cc1cc(CN2CCOc3cc(N(C)C)ccc32)sn1 ZINC000787777727 629034949 /nfs/dbraw/zinc/03/49/49/629034949.db2.gz TVOSDAHPFUVZLL-UHFFFAOYSA-N 0 0 289.404 2.917 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1(C)CCCC1 ZINC000787856859 629039654 /nfs/dbraw/zinc/03/96/54/629039654.db2.gz CRMJBEJKKLFOIA-SOFGYWHQSA-N 0 0 275.348 2.902 20 10 CFCDRN CN(C)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1 ZINC000787906724 629042282 /nfs/dbraw/zinc/04/22/82/629042282.db2.gz RPBXHUZCEQMNMZ-UHFFFAOYSA-N 0 0 294.358 2.912 20 10 CFCDRN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000788269056 629053066 /nfs/dbraw/zinc/05/30/66/629053066.db2.gz KYEHQXDYOCOJTD-OIBJUYFYSA-N 0 0 276.163 2.654 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]1C ZINC000805866277 629064962 /nfs/dbraw/zinc/06/49/62/629064962.db2.gz JIDXDBQFPOAQJW-IAQYHMDHSA-N 0 0 275.396 2.659 20 10 CFCDRN Cn1ccc2cccc(NC(=O)c3cccc(O)c3O)c21 ZINC000788553113 629081428 /nfs/dbraw/zinc/08/14/28/629081428.db2.gz CRWFIJSAXSHWAI-UHFFFAOYSA-N 0 0 282.299 2.842 20 10 CFCDRN C[C@H]([NH2+]Cc1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788561097 629082254 /nfs/dbraw/zinc/08/22/54/629082254.db2.gz DYLKSEMODUHAHB-VIFPVBQESA-N 0 0 299.296 2.995 20 10 CFCDRN CC1(C)CC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000788576182 629083531 /nfs/dbraw/zinc/08/35/31/629083531.db2.gz FZTGHZVLPHJIEH-UHFFFAOYSA-N 0 0 250.298 2.579 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1cc(F)cc(F)c1O ZINC000788983774 629113985 /nfs/dbraw/zinc/11/39/85/629113985.db2.gz GVZKGEWUUTWMDW-ZETCQYMHSA-N 0 0 283.278 2.586 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1cc(F)cc(F)c1O ZINC000788983770 629114079 /nfs/dbraw/zinc/11/40/79/629114079.db2.gz GVZKGEWUUTWMDW-SSDOTTSWSA-N 0 0 283.278 2.586 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788986541 629114591 /nfs/dbraw/zinc/11/45/91/629114591.db2.gz ZZIMEDDGZJPZAJ-NSHDSACASA-N 0 0 274.368 2.668 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C)O2)cc1OC ZINC000789312651 629146391 /nfs/dbraw/zinc/14/63/91/629146391.db2.gz UFLTXPNECJBLER-YPMHNXCESA-N 0 0 265.353 2.708 20 10 CFCDRN COC(=O)[C@H](NCc1cccc(C)c1O)c1cccs1 ZINC000789573317 629166751 /nfs/dbraw/zinc/16/67/51/629166751.db2.gz UCPVWGVTQOWZTG-CYBMUJFWSA-N 0 0 291.372 2.766 20 10 CFCDRN CCCCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000789575098 629167562 /nfs/dbraw/zinc/16/75/62/629167562.db2.gz IUFXCRXCSOZBBI-INIZCTEOSA-N 0 0 292.423 2.964 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c(F)ccc(O)c1O ZINC000789972208 629201000 /nfs/dbraw/zinc/20/10/00/629201000.db2.gz FAVVKLVBANOZES-PWSUYJOCSA-N 0 0 287.290 2.523 20 10 CFCDRN CN(C)c1ccc(-c2nc(-c3cnn(C)n3)cs2)cc1 ZINC000790586340 629250919 /nfs/dbraw/zinc/25/09/19/629250919.db2.gz JGUUSZMRPXADFK-UHFFFAOYSA-N 0 0 285.376 2.672 20 10 CFCDRN COC1(CC(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC000790647531 629254762 /nfs/dbraw/zinc/25/47/62/629254762.db2.gz BTPFLJSOFAFUKM-UHFFFAOYSA-N 0 0 290.407 2.636 20 10 CFCDRN COc1ccc(C2(NC(=O)c3cccc(O)c3O)CC2)cc1 ZINC000790686266 629257050 /nfs/dbraw/zinc/25/70/50/629257050.db2.gz OLAIIOPWMQIRRC-UHFFFAOYSA-N 0 0 299.326 2.526 20 10 CFCDRN CCCCn1ncc(NC(=O)c2cccc(O)c2O)c1C ZINC000790899814 629270569 /nfs/dbraw/zinc/27/05/69/629270569.db2.gz ONMFMRYMYFXURF-UHFFFAOYSA-N 0 0 289.335 2.655 20 10 CFCDRN Cc1nccn1CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790948050 629272713 /nfs/dbraw/zinc/27/27/13/629272713.db2.gz GEYRGRNZPQPYMG-UHFFFAOYSA-N 0 0 297.761 2.870 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000790960912 629273962 /nfs/dbraw/zinc/27/39/62/629273962.db2.gz LLRNAUUWSHHTKY-LLVKDONJSA-N 0 0 298.789 2.759 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000790960685 629274262 /nfs/dbraw/zinc/27/42/62/629274262.db2.gz ZDDAYMGOGWAHRJ-SECBINFHSA-N 0 0 284.762 2.511 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCNc1ccccn1 ZINC000790970713 629275465 /nfs/dbraw/zinc/27/54/65/629275465.db2.gz DBUFPAICILWQAC-UHFFFAOYSA-N 0 0 295.745 2.781 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000790974317 629276232 /nfs/dbraw/zinc/27/62/32/629276232.db2.gz SOZHLSHIVBCAOU-BDAKNGLRSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976878 629276646 /nfs/dbraw/zinc/27/66/46/629276646.db2.gz OJHYNYGIMVNWAN-TVQRCGJNSA-N 0 0 298.789 2.757 20 10 CFCDRN C[C@H](CO)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790980115 629277158 /nfs/dbraw/zinc/27/71/58/629277158.db2.gz HZJBDBYPBKIDIM-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000835025207 629320512 /nfs/dbraw/zinc/32/05/12/629320512.db2.gz OSSWCSHZNFEJNF-YPDHSMTDSA-N 0 0 274.408 2.875 20 10 CFCDRN C[C@@H]1[C@H](C)OCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835030334 629325432 /nfs/dbraw/zinc/32/54/32/629325432.db2.gz XDWYEMKWTHCDMX-MUHKLVGJSA-N 0 0 274.408 2.875 20 10 CFCDRN Cc1cc(NC/C=C\c2ccc(N(C)C)cc2)nn1C ZINC000835041028 629334601 /nfs/dbraw/zinc/33/46/01/629334601.db2.gz IOFYCDNXIPSXEA-WAYWQWQTSA-N 0 0 270.380 2.920 20 10 CFCDRN CN(C)c1ccc(/C=C/CNc2ccn(C)n2)cc1 ZINC000835043546 629340732 /nfs/dbraw/zinc/34/07/32/629340732.db2.gz ROXYLGBQRKLPLO-SNAWJCMRSA-N 0 0 256.353 2.611 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C2CC2)C2COC2)cc1 ZINC000835055062 629356125 /nfs/dbraw/zinc/35/61/25/629356125.db2.gz PTODVLXGEINCLD-ARJAWSKDSA-N 0 0 272.392 2.629 20 10 CFCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000835086721 629385629 /nfs/dbraw/zinc/38/56/29/629385629.db2.gz LHEXYRYOZJSRKQ-SCZZXKLOSA-N 0 0 273.735 2.842 20 10 CFCDRN CC[N@@H+]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792167223 629403967 /nfs/dbraw/zinc/40/39/67/629403967.db2.gz FBRDUKPZRDDPTQ-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCO)C1CCC1 ZINC000792180668 629406782 /nfs/dbraw/zinc/40/67/82/629406782.db2.gz RMWYUTAAHDZCFR-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN Cc1ccnc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000792266187 629415005 /nfs/dbraw/zinc/41/50/05/629415005.db2.gz XLYMVVUPYSYMKH-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792850929 629458318 /nfs/dbraw/zinc/45/83/18/629458318.db2.gz SQBYSXWAOUVSKQ-GHMZBOCLSA-N 0 0 280.368 2.635 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@H](C)C(C)(C)C)c(O)c1 ZINC000792944795 629469533 /nfs/dbraw/zinc/46/95/33/629469533.db2.gz FNLULYSSZDPBPF-LLVKDONJSA-N 0 0 294.395 2.882 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@H]2CC[C@H](C)C2)c(O)c1 ZINC000793275717 629518325 /nfs/dbraw/zinc/51/83/25/629518325.db2.gz YDMRCIULKFEGGW-RYUDHWBXSA-N 0 0 292.379 2.636 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000793655509 629582805 /nfs/dbraw/zinc/58/28/05/629582805.db2.gz HBWISNGJTRJPGE-OAHLLOKOSA-N 0 0 285.318 2.830 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2)c(O)c1 ZINC000794379416 629642131 /nfs/dbraw/zinc/64/21/31/629642131.db2.gz RDINGFFMXWUYIO-CYBMUJFWSA-N 0 0 299.370 2.896 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)c(O)c1 ZINC000794390709 629642670 /nfs/dbraw/zinc/64/26/70/629642670.db2.gz OZXMCKZYYMPHJF-LLVKDONJSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)/C=C\c2cccs2)c(O)c1 ZINC000794386847 629642723 /nfs/dbraw/zinc/64/27/23/629642723.db2.gz CPBBYPPFHIBMKI-SREVYHEPSA-N 0 0 289.356 2.792 20 10 CFCDRN COc1ccc(CNC(=O)Cc2ccccc2C)c(O)c1 ZINC000794388703 629642800 /nfs/dbraw/zinc/64/28/00/629642800.db2.gz ZYVJOOTZYBDCMO-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN CCC1(C(=O)NCc2ccc(OC)cc2O)CCCC1 ZINC000794390117 629642853 /nfs/dbraw/zinc/64/28/53/629642853.db2.gz HWFALGPMHNKPOC-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2C=CCCC2)c(O)c1 ZINC000794387544 629642933 /nfs/dbraw/zinc/64/29/33/629642933.db2.gz KTHCJQBGJDXPQW-LBPRGKRZSA-N 0 0 275.348 2.763 20 10 CFCDRN CCN(Cc1cc2c(cc1O)OCO2)[C@H](C)C(F)(F)F ZINC000794678340 629673696 /nfs/dbraw/zinc/67/36/96/629673696.db2.gz JKJMVYYHSLABCW-MRVPVSSYSA-N 0 0 291.269 2.894 20 10 CFCDRN CC[C@@](C)(OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000795270480 629755099 /nfs/dbraw/zinc/75/50/99/629755099.db2.gz MGRBACDOLCTFJQ-MLGOLLRUSA-N 0 0 278.396 2.745 20 10 CFCDRN COc1ccc(CNc2nc(C3CC3)ns2)c(O)c1 ZINC000795285545 629757257 /nfs/dbraw/zinc/75/72/57/629757257.db2.gz RGSLHWYGESAUHZ-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN COc1ccc(N(CCOCCO)CCC(C)C)cc1 ZINC000796504195 629927032 /nfs/dbraw/zinc/92/70/32/629927032.db2.gz KTQLYBRFEFKVOL-UHFFFAOYSA-N 0 0 281.396 2.557 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000796696052 629951803 /nfs/dbraw/zinc/95/18/03/629951803.db2.gz QUGATFBMDNUFPB-HUUCEWRRSA-N 0 0 280.387 2.912 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(F)cc1[O-] ZINC000796704422 629952681 /nfs/dbraw/zinc/95/26/81/629952681.db2.gz ZQODKVRJCXAIMX-GXTWGEPZSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(F)cc1[O-] ZINC000796726471 629956702 /nfs/dbraw/zinc/95/67/02/629956702.db2.gz QZIARDCWDBVHGY-XHDPSFHLSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796774992 629963860 /nfs/dbraw/zinc/96/38/60/629963860.db2.gz BEHPQTAHGSMKSC-JSGCOSHPSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796779924 629965220 /nfs/dbraw/zinc/96/52/20/629965220.db2.gz OWMVAVZWHUBWIC-IUODEOHRSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000796935261 629991685 /nfs/dbraw/zinc/99/16/85/629991685.db2.gz BHPSFPRPTXKBGX-ZDUSSCGKSA-N 0 0 283.343 2.725 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(F)cc1[O-] ZINC000796954240 629995149 /nfs/dbraw/zinc/99/51/49/629995149.db2.gz PRYOBORUNMEWJA-TZMCWYRMSA-N 0 0 289.354 2.784 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]1C1CC1 ZINC000797428638 630065393 /nfs/dbraw/zinc/06/53/93/630065393.db2.gz BXBISRFXSILVTD-DLBZAZTESA-N 0 0 299.418 2.885 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000797519557 630076623 /nfs/dbraw/zinc/07/66/23/630076623.db2.gz MVHMMHYPATXWTI-KNXALSJPSA-N 0 0 287.407 2.911 20 10 CFCDRN C[C@H](NCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000798000541 630140291 /nfs/dbraw/zinc/14/02/91/630140291.db2.gz YRSFIKPVOYMFAP-NSHDSACASA-N 0 0 286.778 2.797 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cccc2ncn(C)c21 ZINC000798162140 630158079 /nfs/dbraw/zinc/15/80/79/630158079.db2.gz MMBNMERXFRBHIL-UHFFFAOYSA-N 0 0 295.342 2.551 20 10 CFCDRN O=C1CCN1c1ccc(NCc2ccccc2O)cc1 ZINC000798501598 630196500 /nfs/dbraw/zinc/19/65/00/630196500.db2.gz DYAPLCIEIXCFMT-UHFFFAOYSA-N 0 0 268.316 2.741 20 10 CFCDRN COc1cccc(CNc2ccc(N3CCC3=O)cc2)c1O ZINC000798502326 630196537 /nfs/dbraw/zinc/19/65/37/630196537.db2.gz MYLXOPVDRRSMFO-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc3c(c2)OCC(=O)N3C)c1 ZINC000798503668 630197149 /nfs/dbraw/zinc/19/71/49/630197149.db2.gz PIRNTYWMNAXOEW-UHFFFAOYSA-N 0 0 298.342 2.668 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1=CCCC1 ZINC000852634219 634794667 /nfs/dbraw/zinc/79/46/67/634794667.db2.gz LHBLEBKMNSNUIY-UHFFFAOYSA-N 0 0 287.407 2.971 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCC1CCOCC1 ZINC000798977106 630266364 /nfs/dbraw/zinc/26/63/64/630266364.db2.gz NSDDJTWQWVICSF-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CCN(Cc1cnc(OC)nc1C)c1ccc(OC)cc1 ZINC000799129531 630279299 /nfs/dbraw/zinc/27/92/99/630279299.db2.gz PMYDQHWZWXEOGA-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C2CC2)no1 ZINC000799335645 630300185 /nfs/dbraw/zinc/30/01/85/630300185.db2.gz BFUFDPUVMCMRND-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)C1CC(C)(C)C1 ZINC000839890082 630344577 /nfs/dbraw/zinc/34/45/77/630344577.db2.gz AXQMZISSZXBQNY-UHFFFAOYSA-N 0 0 263.337 2.749 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000799989953 630359258 /nfs/dbraw/zinc/35/92/58/630359258.db2.gz WRYPIOJUDFFMTA-VPWBDBDCSA-N 0 0 290.407 2.743 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1C(F)F ZINC000800613258 630398488 /nfs/dbraw/zinc/39/84/88/630398488.db2.gz BLAHRDZUFJFNFI-ZRQQLDRUSA-N 0 0 297.301 2.757 20 10 CFCDRN COCCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915637 630400196 /nfs/dbraw/zinc/40/01/96/630400196.db2.gz IYNMDWLTQPJQMQ-CQSZACIVSA-N 0 0 292.423 2.535 20 10 CFCDRN CCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916642 630400278 /nfs/dbraw/zinc/40/02/78/630400278.db2.gz WDFIIHZUGLMRRI-UONOGXRCSA-N 0 0 292.423 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc[nH]c1 ZINC000839917604 630401071 /nfs/dbraw/zinc/40/10/71/630401071.db2.gz FSECXHAUJXOKOV-ZDUSSCGKSA-N 0 0 285.391 2.750 20 10 CFCDRN COC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919988 630403598 /nfs/dbraw/zinc/40/35/98/630403598.db2.gz YZCVRVLJHXKTJY-CYBMUJFWSA-N 0 0 292.423 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC1(F)F ZINC000839922331 630410012 /nfs/dbraw/zinc/41/00/12/630410012.db2.gz QJJOWZBKLBPJLY-FZMZJTMJSA-N 0 0 296.361 2.763 20 10 CFCDRN CO[C@H](C)c1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000800846089 630410709 /nfs/dbraw/zinc/41/07/09/630410709.db2.gz COFSPARWJSTYRI-SNVBAGLBSA-N 0 0 292.408 2.924 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000800891573 630415176 /nfs/dbraw/zinc/41/51/76/630415176.db2.gz MKWSQZKMKYUFFC-STQMWFEESA-N 0 0 282.334 2.578 20 10 CFCDRN CC(C)SCCN(C)c1ccc2c(c1)OCO2 ZINC000801525000 630453765 /nfs/dbraw/zinc/45/37/65/630453765.db2.gz DCHIJPXAPIZKKS-UHFFFAOYSA-N 0 0 253.367 2.993 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(C)n1 ZINC000801546518 630456778 /nfs/dbraw/zinc/45/67/78/630456778.db2.gz RZJSJTREGWCOTI-UHFFFAOYSA-N 0 0 299.374 2.933 20 10 CFCDRN CCCC[N@H+](CC(=O)N[C@@H](C)CC)Cc1ccccc1O ZINC000801599688 630461867 /nfs/dbraw/zinc/46/18/67/630461867.db2.gz ZFPVTRRGKBGOLL-AWEZNQCLSA-N 0 0 292.423 2.909 20 10 CFCDRN C[C@@H](NC(=O)N1CCCCO1)c1ccc(N(C)C)cc1 ZINC000802297862 630525369 /nfs/dbraw/zinc/52/53/69/630525369.db2.gz CMICZKGZRUPBDB-GFCCVEGCSA-N 0 0 277.368 2.551 20 10 CFCDRN O=C(NCc1ccccc1O)c1coc(C2CCCC2)n1 ZINC000802508796 630532093 /nfs/dbraw/zinc/53/20/93/630532093.db2.gz CDFGSLOFUKXLJC-UHFFFAOYSA-N 0 0 286.331 2.968 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCOC(F)F ZINC000802657256 630536940 /nfs/dbraw/zinc/53/69/40/630536940.db2.gz XRBQVOVIFICEDA-UHFFFAOYSA-N 0 0 283.677 2.904 20 10 CFCDRN COc1c2ccccc2[nH]c1C(=O)NCc1ccccc1O ZINC000802778058 630546225 /nfs/dbraw/zinc/54/62/25/630546225.db2.gz XTQPXSDNQRFGHD-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc[nH]c2C(C)C)c1 ZINC000802783023 630546417 /nfs/dbraw/zinc/54/64/17/630546417.db2.gz DKPYBKWTZODRLM-UHFFFAOYSA-N 0 0 288.347 2.782 20 10 CFCDRN CC[C@@H](C)CCC(=O)NCc1cc(OC)ccc1O ZINC000802783500 630546479 /nfs/dbraw/zinc/54/64/79/630546479.db2.gz UNGRDSBUMMUBBR-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN CNc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000803120407 630586194 /nfs/dbraw/zinc/58/61/94/630586194.db2.gz HKRRMSXPXOLHBK-LBPRGKRZSA-N 0 0 298.390 2.680 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)COC(F)F ZINC000803390089 630611324 /nfs/dbraw/zinc/61/13/24/630611324.db2.gz QUKRXQZCAKTFQY-UHFFFAOYSA-N 0 0 287.306 2.760 20 10 CFCDRN CN(C)c1ccc(CNc2ccnc3c2cnn3C)cc1F ZINC000804391787 630678920 /nfs/dbraw/zinc/67/89/20/630678920.db2.gz COIFNJBFBOQZDM-UHFFFAOYSA-N 0 0 299.353 2.786 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC=CCC1 ZINC000808093610 630768811 /nfs/dbraw/zinc/76/88/11/630768811.db2.gz QRXGWLPUWGGQEJ-GFCCVEGCSA-N 0 0 280.364 2.850 20 10 CFCDRN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cccc(Cl)c1[O-] ZINC000806150242 630774118 /nfs/dbraw/zinc/77/41/18/630774118.db2.gz OBVFJJCBLLHHDR-LLVKDONJSA-N 0 0 284.787 2.598 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)F ZINC000836223472 630774777 /nfs/dbraw/zinc/77/47/77/630774777.db2.gz YMCKDTLZSMRKGJ-LBPRGKRZSA-N 0 0 285.338 2.596 20 10 CFCDRN C[C@@H](NCc1cnn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000806168468 630778304 /nfs/dbraw/zinc/77/83/04/630778304.db2.gz NUTHNTNLTOQKOA-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN CC[C@H]([NH2+]Cc1ncnn1CC)c1cccc(Cl)c1[O-] ZINC000806164172 630778355 /nfs/dbraw/zinc/77/83/55/630778355.db2.gz ZODNDKFWEAKKST-LBPRGKRZSA-N 0 0 294.786 2.898 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](F)C1 ZINC000836243531 630779151 /nfs/dbraw/zinc/77/91/51/630779151.db2.gz BTNFVOJBLOOJFN-CQSZACIVSA-N 0 0 291.370 2.540 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000806499938 630805974 /nfs/dbraw/zinc/80/59/74/630805974.db2.gz OJAPORAEBLGOSP-UHFFFAOYSA-N 0 0 298.298 2.511 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H](C)F ZINC000836483662 630831713 /nfs/dbraw/zinc/83/17/13/630831713.db2.gz VIGHQLDCRWBFJV-GFCCVEGCSA-N 0 0 281.375 2.608 20 10 CFCDRN CC/C=C/CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000836571534 630851680 /nfs/dbraw/zinc/85/16/80/630851680.db2.gz FMWYBOGCJWOPKS-AATRIKPKSA-N 0 0 279.359 2.657 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc2c(cn1)CCC2 ZINC000836697814 630869894 /nfs/dbraw/zinc/86/98/94/630869894.db2.gz AVXLVWHHSJJMST-UHFFFAOYSA-N 0 0 283.331 2.598 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1N ZINC000040825824 649986456 /nfs/dbraw/zinc/98/64/56/649986456.db2.gz PUKPDLREPJWIPN-UHFFFAOYSA-N 0 0 283.375 2.573 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1(C2CCC2)CCC1 ZINC000836777321 630880470 /nfs/dbraw/zinc/88/04/70/630880470.db2.gz JDKBNYIFFXOWSO-UHFFFAOYSA-N 0 0 289.375 2.727 20 10 CFCDRN COc1cccc(CNC(=O)C2=CC[C@@H](C)CC2)c1O ZINC000836776927 630880906 /nfs/dbraw/zinc/88/09/06/630880906.db2.gz DAAOFXHPORAEOE-LLVKDONJSA-N 0 0 275.348 2.763 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CC[C@@H](C)CC1 ZINC000836781952 630881320 /nfs/dbraw/zinc/88/13/20/630881320.db2.gz SMQNGRQPXAXWMR-VXGBXAGGSA-N 0 0 289.375 2.891 20 10 CFCDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000807691478 630903674 /nfs/dbraw/zinc/90/36/74/630903674.db2.gz NKCZYPDVRLWJBN-IINYFYTJSA-N 0 0 291.372 2.614 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000836916700 630915885 /nfs/dbraw/zinc/91/58/85/630915885.db2.gz ZPYJSBBUMMJKFC-ODBHDECVSA-N 0 0 275.348 2.519 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCCC1 ZINC000808095446 630950258 /nfs/dbraw/zinc/95/02/58/630950258.db2.gz FSFDMIJIYPVSGG-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808422115 630989192 /nfs/dbraw/zinc/98/91/92/630989192.db2.gz YBPBJVWYFWMVSS-SECBINFHSA-N 0 0 275.751 2.539 20 10 CFCDRN CC(=O)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000808487667 631001367 /nfs/dbraw/zinc/00/13/67/631001367.db2.gz PQLBOKZGBZJJFD-UHFFFAOYSA-N 0 0 296.322 2.597 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000808490329 631002742 /nfs/dbraw/zinc/00/27/42/631002742.db2.gz CRHFAJSELZYEIC-UHFFFAOYSA-N 0 0 294.306 2.573 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000808540544 631010945 /nfs/dbraw/zinc/01/09/45/631010945.db2.gz UYAMIIFQYFFMIJ-UHFFFAOYSA-N 0 0 282.723 2.778 20 10 CFCDRN CCn1ncnc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000808719661 631034927 /nfs/dbraw/zinc/03/49/27/631034927.db2.gz YVCJZQWSTZPJSE-SNVBAGLBSA-N 0 0 294.786 2.816 20 10 CFCDRN O=C(NCc1ccccc1O)c1[nH]ccc1C1CC1 ZINC000837481924 631044102 /nfs/dbraw/zinc/04/41/02/631044102.db2.gz RLCBISVQXVUTKG-UHFFFAOYSA-N 0 0 256.305 2.528 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](C2CCC2)C1 ZINC000840572966 631165959 /nfs/dbraw/zinc/16/59/59/631165959.db2.gz MMBDEAIOOLAATL-BRLPQQTGSA-N 0 0 287.359 2.760 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000840709774 631175652 /nfs/dbraw/zinc/17/56/52/631175652.db2.gz MDFAJANMSSVFTK-CYBMUJFWSA-N 0 0 284.407 2.746 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1ncccc1F ZINC000840937707 631270782 /nfs/dbraw/zinc/27/07/82/631270782.db2.gz WNDRVQLWNMZXKW-UHFFFAOYSA-N 0 0 273.355 2.885 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCC(F)(F)C1 ZINC000840937812 631271140 /nfs/dbraw/zinc/27/11/40/631271140.db2.gz YEZLMPXYZHUVMN-UHFFFAOYSA-N 0 0 254.324 2.902 20 10 CFCDRN Cc1cc(O)c(CNCc2nnc(C(C)C)[nH]2)c(Cl)c1 ZINC000840950906 631279673 /nfs/dbraw/zinc/27/96/73/631279673.db2.gz QLKAPGOEBWSKFM-UHFFFAOYSA-N 0 0 294.786 2.885 20 10 CFCDRN C[N@H+](CCCn1ccnc1)Cc1c([O-])ccc(Cl)c1F ZINC000809753545 631280767 /nfs/dbraw/zinc/28/07/67/631280767.db2.gz WKDPWNCJWIDSIV-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000809778231 631286472 /nfs/dbraw/zinc/28/64/72/631286472.db2.gz MVCAQAOYEZDYOF-UHFFFAOYSA-N 0 0 271.719 2.621 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000840970724 631289633 /nfs/dbraw/zinc/28/96/33/631289633.db2.gz WQVCPMTZLWSSGC-SNVBAGLBSA-N 0 0 294.351 2.929 20 10 CFCDRN Cc1nc(NC(=O)NCCc2ccc(N)cc2)sc1C ZINC000841016840 631306898 /nfs/dbraw/zinc/30/68/98/631306898.db2.gz PBQQCAZKDIJHEV-UHFFFAOYSA-N 0 0 290.392 2.706 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069182 631328863 /nfs/dbraw/zinc/32/88/63/631328863.db2.gz PJWYUPDMNOVHSB-INIZCTEOSA-N 0 0 286.350 2.508 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)OC ZINC000810176159 631339549 /nfs/dbraw/zinc/33/95/49/631339549.db2.gz JCCOJLKUDSGVIO-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCSC2)c1 ZINC000810347383 631365070 /nfs/dbraw/zinc/36/50/70/631365070.db2.gz BXDRMENFBHXRCQ-QWRGUYRKSA-N 0 0 295.404 2.721 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2cc(C3CC3)ccn2)cc1 ZINC000841247180 631368254 /nfs/dbraw/zinc/36/82/54/631368254.db2.gz NRJRAOIFQHXYDK-UHFFFAOYSA-N 0 0 296.374 2.905 20 10 CFCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296788 631377005 /nfs/dbraw/zinc/37/70/05/631377005.db2.gz YYLHISDARCMDCW-CABCVRRESA-N 0 0 291.395 2.984 20 10 CFCDRN COCC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccco1 ZINC000841295990 631377158 /nfs/dbraw/zinc/37/71/58/631377158.db2.gz MFHAASRLOUOBJX-CYBMUJFWSA-N 0 0 289.335 2.761 20 10 CFCDRN Cc1cccnc1CCCNC(=O)Nc1ccc(N)cc1 ZINC000841298396 631377201 /nfs/dbraw/zinc/37/72/01/631377201.db2.gz CICBQGASQSJZCS-UHFFFAOYSA-N 0 0 284.363 2.727 20 10 CFCDRN Cc1noc(C)c1CCCNC(=O)Nc1ccc(N)cc1 ZINC000841299865 631378064 /nfs/dbraw/zinc/37/80/64/631378064.db2.gz LBBVVFFTFMTFRU-UHFFFAOYSA-N 0 0 288.351 2.628 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCC2CCCC2)cc1 ZINC000841701065 631455023 /nfs/dbraw/zinc/45/50/23/631455023.db2.gz VVOCDZYECDQSKF-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN C[C@H]1[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000841716521 631457006 /nfs/dbraw/zinc/45/70/06/631457006.db2.gz RLOQQZRNDHSCKE-MGPQQGTHSA-N 0 0 289.423 2.939 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000841737173 631462349 /nfs/dbraw/zinc/46/23/49/631462349.db2.gz CUWPUPSXKWKWGY-IAGOWNOFSA-N 0 0 295.386 2.667 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N(C)C ZINC000841746517 631462899 /nfs/dbraw/zinc/46/28/99/631462899.db2.gz HDNYUSKCCUOMSW-ZJUUUORDSA-N 0 0 256.777 2.646 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841746451 631463313 /nfs/dbraw/zinc/46/33/13/631463313.db2.gz ZEVFBTDNRVVCLS-UWVGGRQHSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@H]([NH2+]CCCn1cccn1)c1ccc(Cl)cc1[O-] ZINC000841744739 631463378 /nfs/dbraw/zinc/46/33/78/631463378.db2.gz SIQQBBGNFNVEHB-NSHDSACASA-N 0 0 279.771 2.983 20 10 CFCDRN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841747991 631464643 /nfs/dbraw/zinc/46/46/43/631464643.db2.gz VGFFPQIJYIIFDV-SNVBAGLBSA-N 0 0 284.787 2.565 20 10 CFCDRN C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1ccc(Cl)cc1[O-] ZINC000841752578 631465259 /nfs/dbraw/zinc/46/52/59/631465259.db2.gz UHDFWSGKJDDLOO-LXIMFEHMSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CO)c1ccc(Cl)cc1[O-] ZINC000841751099 631465319 /nfs/dbraw/zinc/46/53/19/631465319.db2.gz KMNYDGVTPIIAOO-VIFPVBQESA-N 0 0 257.761 2.715 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000841759500 631467826 /nfs/dbraw/zinc/46/78/26/631467826.db2.gz OGVJVXKBYFOMCX-MWODSPESSA-N 0 0 289.297 2.975 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(Cl)c1[O-] ZINC000841760029 631468010 /nfs/dbraw/zinc/46/80/10/631468010.db2.gz ROUKHCFWYNYMNA-DUFXMDAXSA-N 0 0 269.772 3.000 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000841759491 631468067 /nfs/dbraw/zinc/46/80/67/631468067.db2.gz OGVJVXKBYFOMCX-KKFJDGPESA-N 0 0 289.297 2.975 20 10 CFCDRN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(Cl)cc1[O-] ZINC000841761500 631469232 /nfs/dbraw/zinc/46/92/32/631469232.db2.gz FXIQILCUSVETRV-SNVBAGLBSA-N 0 0 268.788 2.790 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](CC(C)(C)C)C(=O)[O-])cc1C ZINC000841796116 631472810 /nfs/dbraw/zinc/47/28/10/631472810.db2.gz IYOLAQDPCGGAPN-ZDUSSCGKSA-N 0 0 279.380 2.983 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC000841808864 631473333 /nfs/dbraw/zinc/47/33/33/631473333.db2.gz QJIMYZKZVTXDLW-VXGBXAGGSA-N 0 0 296.386 2.871 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)CCC(=O)[O-])cc1 ZINC000841807715 631473865 /nfs/dbraw/zinc/47/38/65/631473865.db2.gz DGPWIUANLONZJQ-ZDUSSCGKSA-N 0 0 278.396 2.876 20 10 CFCDRN CC(C)(CCNC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841907955 631493208 /nfs/dbraw/zinc/49/32/08/631493208.db2.gz UXMCAXDGQPVUNW-UHFFFAOYSA-N 0 0 289.423 2.937 20 10 CFCDRN Nc1ccc(CCNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000841955637 631495903 /nfs/dbraw/zinc/49/59/03/631495903.db2.gz ITFPJDRPJQHYMS-SJORKVTESA-N 0 0 299.418 2.641 20 10 CFCDRN CCC1(NC(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000841956117 631496490 /nfs/dbraw/zinc/49/64/90/631496490.db2.gz VPFJBTWMVZKZCI-UHFFFAOYSA-N 0 0 275.396 2.833 20 10 CFCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)[C@H]1C1CC1 ZINC000841956291 631496587 /nfs/dbraw/zinc/49/65/87/631496587.db2.gz BBYIRKDASQECIJ-HNNXBMFYSA-N 0 0 287.407 2.641 20 10 CFCDRN C[C@H](c1ccncc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956333 631496826 /nfs/dbraw/zinc/49/68/26/631496826.db2.gz CMTNXOPMYDPEHJ-CYBMUJFWSA-N 0 0 298.390 2.609 20 10 CFCDRN CN(C)c1cccnc1CNC(=S)Nc1ccccc1 ZINC000811709715 631609752 /nfs/dbraw/zinc/60/97/52/631609752.db2.gz IKIOWSZBPKUKGT-UHFFFAOYSA-N 0 0 286.404 2.634 20 10 CFCDRN COc1ccc(O)c(CNc2nc(C(C)C)no2)c1 ZINC000811805127 631623799 /nfs/dbraw/zinc/62/37/99/631623799.db2.gz KAGHQBRNZKAHSS-UHFFFAOYSA-N 0 0 263.297 2.519 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000867301735 631683707 /nfs/dbraw/zinc/68/37/07/631683707.db2.gz DHGWGOIWTDNCND-RAIGVLPGSA-N 0 0 291.391 2.827 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000812357682 631695343 /nfs/dbraw/zinc/69/53/43/631695343.db2.gz RVAXZNVXGXTIGL-YPMHNXCESA-N 0 0 293.388 2.627 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)C(C)C)C2)cc1 ZINC000842881935 631771433 /nfs/dbraw/zinc/77/14/33/631771433.db2.gz TYZXNBHTURGAMU-CYBMUJFWSA-N 0 0 277.364 2.721 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3C[C@@H]3C)C2)cc1 ZINC000842881807 631771506 /nfs/dbraw/zinc/77/15/06/631771506.db2.gz SJBAGCXCYZJJPU-HEHGZKQESA-N 0 0 289.375 2.721 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)C3CCC3)C2)cc1 ZINC000842878875 631771661 /nfs/dbraw/zinc/77/16/61/631771661.db2.gz DRWXFRYHQQFSAI-CYBMUJFWSA-N 0 0 289.375 2.865 20 10 CFCDRN Cn1nnc2cc(N[C@H]3CCc4cccc(O)c43)ccc21 ZINC000842902412 631779838 /nfs/dbraw/zinc/77/98/38/631779838.db2.gz VCFVGSQWBMXNBY-LBPRGKRZSA-N 0 0 280.331 2.773 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000842927834 631784193 /nfs/dbraw/zinc/78/41/93/631784193.db2.gz HNNFTNRALVMXFO-XWIASGKRSA-N 0 0 253.317 2.749 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000842927831 631784356 /nfs/dbraw/zinc/78/43/56/631784356.db2.gz HNNFTNRALVMXFO-CDMKHQONSA-N 0 0 253.317 2.749 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC000843041139 631810396 /nfs/dbraw/zinc/81/03/96/631810396.db2.gz OVQHOTUKXZVCTM-YGRLFVJLSA-N 0 0 277.364 2.552 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159989 631871285 /nfs/dbraw/zinc/87/12/85/631871285.db2.gz UIFMNDRHHNJWHU-SECBINFHSA-N 0 0 298.346 2.999 20 10 CFCDRN COc1cccc(CN2CC(OC)(c3ccccc3)C2)c1O ZINC000813331084 631904362 /nfs/dbraw/zinc/90/43/62/631904362.db2.gz LDNQVVGMJQAJCZ-UHFFFAOYSA-N 0 0 299.370 2.758 20 10 CFCDRN CCc1nccn1[C@@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000843293701 631921085 /nfs/dbraw/zinc/92/10/85/631921085.db2.gz UKQXVWIFHSABNQ-NSHDSACASA-N 0 0 272.352 2.618 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(F)CCCCC1 ZINC000813513165 631928267 /nfs/dbraw/zinc/92/82/67/631928267.db2.gz JFHGVIWVSHJFDB-LLVKDONJSA-N 0 0 295.354 2.817 20 10 CFCDRN C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 ZINC000843342583 631932661 /nfs/dbraw/zinc/93/26/61/631932661.db2.gz NZDXFWTZFKWGRE-LJQANCHMSA-N 0 0 294.398 2.832 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1(F)CCC1 ZINC000813629178 631944301 /nfs/dbraw/zinc/94/43/01/631944301.db2.gz VLYKFDNWCLRTPY-HYXAFXHYSA-N 0 0 279.311 2.510 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2ccccc2CO1 ZINC000813699945 631951638 /nfs/dbraw/zinc/95/16/38/631951638.db2.gz RBAKTIHIJPMGIQ-VURMDHGXSA-N 0 0 297.310 2.585 20 10 CFCDRN CCOC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000044322501 650044334 /nfs/dbraw/zinc/04/43/34/650044334.db2.gz OYQUUNJAFWZYAF-UHFFFAOYSA-N 0 0 276.361 2.742 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CO ZINC000814169588 632021542 /nfs/dbraw/zinc/02/15/42/632021542.db2.gz JHJBMMCVGPQUCZ-MRVPVSSYSA-N 0 0 278.179 2.902 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000814320586 632052159 /nfs/dbraw/zinc/05/21/59/632052159.db2.gz XISKZYRGXPFMIP-LYRGGWFBSA-N 0 0 272.392 2.976 20 10 CFCDRN CC1(C)[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1(F)F ZINC000856068259 635715286 /nfs/dbraw/zinc/71/52/86/635715286.db2.gz LZZPWDVHADPTMT-FVOPLDGLSA-N 0 0 297.301 2.519 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCC(F)CC1 ZINC000844097130 632117924 /nfs/dbraw/zinc/11/79/24/632117924.db2.gz MNOVYWCTOMZFAJ-YWEYNIOJSA-N 0 0 293.338 2.756 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2ccncc2)C1 ZINC000844140741 632125946 /nfs/dbraw/zinc/12/59/46/632125946.db2.gz BGJSWPIVKJSYEE-GFCCVEGCSA-N 0 0 288.372 2.869 20 10 CFCDRN COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000844352882 632176618 /nfs/dbraw/zinc/17/66/18/632176618.db2.gz BIDXTHSKVDCEPZ-CJNGLKHVSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1 ZINC000844353342 632177646 /nfs/dbraw/zinc/17/76/46/632177646.db2.gz SGJSDKWCJJGXLI-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN Cc1cc(CN(C)[C@@H]2CC(C)(C)OC2=O)ccc1N(C)C ZINC000815120907 632207035 /nfs/dbraw/zinc/20/70/35/632207035.db2.gz OXYVQBGMPKFTSG-OAHLLOKOSA-N 0 0 290.407 2.587 20 10 CFCDRN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815160400 632220308 /nfs/dbraw/zinc/22/03/08/632220308.db2.gz ZBOLLRNKUYPMQU-LKFCYVNXSA-N 0 0 287.762 2.825 20 10 CFCDRN CCCCNC(=S)NCc1cc(Cl)ccc1O ZINC000844584208 632254887 /nfs/dbraw/zinc/25/48/87/632254887.db2.gz QIOSIXSQKICMCV-UHFFFAOYSA-N 0 0 272.801 2.810 20 10 CFCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000844662968 632277425 /nfs/dbraw/zinc/27/74/25/632277425.db2.gz IEWBWIIYUCFXRA-QMMMGPOBSA-N 0 0 293.335 2.991 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cc(F)c[nH]1 ZINC000815590829 632292975 /nfs/dbraw/zinc/29/29/75/632292975.db2.gz KOWUTSGTDSYBDI-UHFFFAOYSA-N 0 0 285.369 2.523 20 10 CFCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000815633580 632302932 /nfs/dbraw/zinc/30/29/32/632302932.db2.gz RLQWQTNXENOBLF-VXGBXAGGSA-N 0 0 296.386 2.734 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCCCO2)cc1F ZINC000844934211 632341213 /nfs/dbraw/zinc/34/12/13/632341213.db2.gz NFSRRXBQNKCZLZ-UHFFFAOYSA-N 0 0 295.358 2.519 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000844938974 632343127 /nfs/dbraw/zinc/34/31/27/632343127.db2.gz XOTAXJLUZMMYMQ-IDTUSYRASA-N 0 0 276.380 2.561 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CC(C)(C)C1 ZINC000816028869 632358928 /nfs/dbraw/zinc/35/89/28/632358928.db2.gz PMMRXDGSNWQNGN-NSHDSACASA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1F ZINC000816029248 632358980 /nfs/dbraw/zinc/35/89/80/632358980.db2.gz ZEMWJBROPXYVLT-QMMMGPOBSA-N 0 0 295.335 2.659 20 10 CFCDRN Cc1cc(=O)[nH]c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000816180134 632388294 /nfs/dbraw/zinc/38/82/94/632388294.db2.gz GIFAVWGDQOOXKR-LBPRGKRZSA-N 0 0 299.374 2.653 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(\C)COC ZINC000845311452 632409034 /nfs/dbraw/zinc/40/90/34/632409034.db2.gz YKCIBQVJYPWFOF-SDNWHVSQSA-N 0 0 290.407 2.694 20 10 CFCDRN CC(C)N(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544329 632480633 /nfs/dbraw/zinc/48/06/33/632480633.db2.gz DQBLRHRBFFKGCG-UHFFFAOYSA-N 0 0 274.767 2.615 20 10 CFCDRN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586433 632490385 /nfs/dbraw/zinc/49/03/85/632490385.db2.gz HVKVTNBVUKEIHW-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN Cc1c(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000816594819 632491878 /nfs/dbraw/zinc/49/18/78/632491878.db2.gz PVXOOIHRCGYJPF-UHFFFAOYSA-N 0 0 297.761 2.859 20 10 CFCDRN C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000816648510 632503718 /nfs/dbraw/zinc/50/37/18/632503718.db2.gz LLYSBOWKEJKTSL-STQMWFEESA-N 0 0 278.371 2.503 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)CO ZINC000816653815 632504936 /nfs/dbraw/zinc/50/49/36/632504936.db2.gz JHJBMMCVGPQUCZ-QMMMGPOBSA-N 0 0 278.179 2.902 20 10 CFCDRN CC[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816660945 632507219 /nfs/dbraw/zinc/50/72/19/632507219.db2.gz VSXSIZPKJIYCNL-NSHDSACASA-N 0 0 286.778 2.711 20 10 CFCDRN COCc1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845708533 632530347 /nfs/dbraw/zinc/53/03/47/632530347.db2.gz FZAWTZKBPXAXRT-UHFFFAOYSA-N 0 0 285.756 2.656 20 10 CFCDRN COc1cccc(CNC(=O)NC2CC3(CCC3)C2)c1O ZINC000845724939 632534044 /nfs/dbraw/zinc/53/40/44/632534044.db2.gz QAMMPYLDCYXOOZ-UHFFFAOYSA-N 0 0 290.363 2.533 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C(\C)COC ZINC000845791417 632565678 /nfs/dbraw/zinc/56/56/78/632565678.db2.gz NQUJFWSGDPEEGA-JLHYYAGUSA-N 0 0 277.364 2.724 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845790855 632566124 /nfs/dbraw/zinc/56/61/24/632566124.db2.gz FBXACDHEWOBSIJ-UONOGXRCSA-N 0 0 259.349 2.787 20 10 CFCDRN CCNC(=O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817381713 632617897 /nfs/dbraw/zinc/61/78/97/632617897.db2.gz JSAONJWVWFOBPM-UHFFFAOYSA-N 0 0 296.798 2.845 20 10 CFCDRN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412651 632624173 /nfs/dbraw/zinc/62/41/73/632624173.db2.gz NRLHPWXRVATEFX-NXEZZACHSA-N 0 0 287.762 2.635 20 10 CFCDRN CC(C)n1cc(CNCc2cc(Cl)ccc2O)nn1 ZINC000846056718 632625505 /nfs/dbraw/zinc/62/55/05/632625505.db2.gz YFFDTAIDDPRWNW-UHFFFAOYSA-N 0 0 280.759 2.508 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@@]3(C)CC3(F)F)ccc21 ZINC000817430570 632632452 /nfs/dbraw/zinc/63/24/52/632632452.db2.gz KCANMVDDVSZUKR-OAHLLOKOSA-N 0 0 294.345 2.731 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC12CC2 ZINC000817457689 632641345 /nfs/dbraw/zinc/64/13/45/632641345.db2.gz RDYZUODVTKHBPJ-XJKSGUPXSA-N 0 0 286.419 2.908 20 10 CFCDRN COc1cccc([C@H](C)N[C@@H](C)c2csnn2)c1O ZINC000846174849 632654217 /nfs/dbraw/zinc/65/42/17/632654217.db2.gz UUIQJXGYAZVSMG-IUCAKERBSA-N 0 0 279.365 2.664 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(Cl)c1[O-] ZINC000846193534 632658451 /nfs/dbraw/zinc/65/84/51/632658451.db2.gz NHGQFOOGJKKLBI-HIFRSBDPSA-N 0 0 299.798 2.628 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1ccccc1O ZINC000817549976 632661410 /nfs/dbraw/zinc/66/14/10/632661410.db2.gz REUVBVDWNOKYLO-UHFFFAOYSA-N 0 0 258.321 2.603 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(F)cc1[O-] ZINC000846214881 632663000 /nfs/dbraw/zinc/66/30/00/632663000.db2.gz XAWKFAUZNGBASA-ZBFHGGJFSA-N 0 0 297.370 2.504 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000817587215 632671299 /nfs/dbraw/zinc/67/12/99/632671299.db2.gz CSZFRGBMFRFNPP-NWDGAFQWSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)CC)cc1 ZINC000846279328 632682400 /nfs/dbraw/zinc/68/24/00/632682400.db2.gz ZJUWMIKTPXEUAP-ZDUSSCGKSA-N 0 0 278.396 2.828 20 10 CFCDRN Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1N(C)C ZINC000846282190 632684114 /nfs/dbraw/zinc/68/41/14/632684114.db2.gz WOKGAHFYWYQBLN-UKRRQHHQSA-N 0 0 290.407 2.604 20 10 CFCDRN Nc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846295982 632685919 /nfs/dbraw/zinc/68/59/19/632685919.db2.gz DGFYVLZSGBFTIQ-CABCVRRESA-N 0 0 258.365 2.711 20 10 CFCDRN CC(C)C[C@@H](C)OC(=O)NCc1ccc(O)cc1O ZINC000867417333 632700877 /nfs/dbraw/zinc/70/08/77/632700877.db2.gz RVRWFAVTDIOMPI-SNVBAGLBSA-N 0 0 267.325 2.759 20 10 CFCDRN C[C@]1(CCNC(=O)c2cccc(O)c2O)C[C@@]1(F)Cl ZINC000846413025 632707153 /nfs/dbraw/zinc/70/71/53/632707153.db2.gz SFUIBNSXRSLAHD-STQMWFEESA-N 0 0 287.718 2.532 20 10 CFCDRN O=C(Nc1cccc(C2CC2)n1)c1cccc(O)c1O ZINC000817769416 632709256 /nfs/dbraw/zinc/70/92/56/632709256.db2.gz UYSFJCXPFHGNRC-UHFFFAOYSA-N 0 0 270.288 2.623 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864764 632714584 /nfs/dbraw/zinc/71/45/84/632714584.db2.gz BLGBAQXTYMAFFJ-UHFFFAOYSA-N 0 0 284.762 2.513 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(C2CC2)n[nH]1 ZINC000846472752 632715326 /nfs/dbraw/zinc/71/53/26/632715326.db2.gz MJLOWGCCJOVAFO-UHFFFAOYSA-N 0 0 291.738 2.576 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H](O)C1CCCCC1 ZINC000846473126 632715685 /nfs/dbraw/zinc/71/56/85/632715685.db2.gz IXEZRYBPOUGZOI-CQSZACIVSA-N 0 0 297.782 2.603 20 10 CFCDRN COC1(CC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846473046 632715866 /nfs/dbraw/zinc/71/58/66/632715866.db2.gz HXEBDSKFSHMMTO-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475714 632716372 /nfs/dbraw/zinc/71/63/72/632716372.db2.gz GORJWJQCZZXZMX-CYBMUJFWSA-N 0 0 285.771 2.723 20 10 CFCDRN CSC1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474605 632716624 /nfs/dbraw/zinc/71/66/24/632716624.db2.gz WJISQZIJRPPCIG-UHFFFAOYSA-N 0 0 271.769 2.557 20 10 CFCDRN CCc1c(C(=O)NCc2cc(Cl)ccc2O)ccn1C ZINC000846476591 632717579 /nfs/dbraw/zinc/71/75/79/632717579.db2.gz NMIBZIJWKRAYGV-UHFFFAOYSA-N 0 0 292.766 2.877 20 10 CFCDRN COCC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846476624 632717609 /nfs/dbraw/zinc/71/76/09/632717609.db2.gz NUIMLTQSUNTHGE-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN CC[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817902878 632727013 /nfs/dbraw/zinc/72/70/13/632727013.db2.gz AOBMUDNEEZKQEN-SNVBAGLBSA-N 0 0 289.404 2.844 20 10 CFCDRN CCCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817910335 632730284 /nfs/dbraw/zinc/73/02/84/632730284.db2.gz RJKBWOKNDQAKGA-UHFFFAOYSA-N 0 0 289.404 2.798 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)NC3CCC3)cs2)cc1 ZINC000817916306 632731837 /nfs/dbraw/zinc/73/18/37/632731837.db2.gz DDQCISXDTKAXNB-UHFFFAOYSA-N 0 0 287.388 2.598 20 10 CFCDRN CN(c1ccc(CN=c2nc[nH]n2C)cc1)C1CCCCC1 ZINC000846747735 632782642 /nfs/dbraw/zinc/78/26/42/632782642.db2.gz VBEPIYOQLSFMRU-UHFFFAOYSA-N 0 0 299.422 2.618 20 10 CFCDRN CC/C=C(/C)C(=O)NCc1ccc2cccnc2c1O ZINC000818032638 632790607 /nfs/dbraw/zinc/79/06/07/632790607.db2.gz ACSXNWMTNRQMFE-WZUFQYTHSA-N 0 0 270.332 2.913 20 10 CFCDRN CCCN(Cc1cnsn1)Cc1ccccc1O ZINC000846809505 632806746 /nfs/dbraw/zinc/80/67/46/632806746.db2.gz QFJYXJGYGLYFFO-UHFFFAOYSA-N 0 0 263.366 2.656 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C(C)=O)no2)cc1F ZINC000846815092 632808407 /nfs/dbraw/zinc/80/84/07/632808407.db2.gz ISSDYHBSJVWXKE-UHFFFAOYSA-N 0 0 278.283 2.661 20 10 CFCDRN CCn1nc(C)c(CNCc2c(O)cc(C)cc2Cl)n1 ZINC000818220392 632815562 /nfs/dbraw/zinc/81/55/62/632815562.db2.gz GMBVDIZAWOHVSN-UHFFFAOYSA-N 0 0 294.786 2.564 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818358869 632837489 /nfs/dbraw/zinc/83/74/89/632837489.db2.gz GTJKRYZJCLYWGU-CHWFTXMASA-N 0 0 262.309 2.750 20 10 CFCDRN CC(C)CCO[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000856527592 635832066 /nfs/dbraw/zinc/83/20/66/635832066.db2.gz BAQKGPUOZWVWGY-GFCCVEGCSA-N 0 0 283.393 2.731 20 10 CFCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000846978190 632866972 /nfs/dbraw/zinc/86/69/72/632866972.db2.gz NBYWDSTVNAXLOQ-NSHDSACASA-N 0 0 288.347 2.845 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1C ZINC000819163300 632992116 /nfs/dbraw/zinc/99/21/16/632992116.db2.gz JFFOOOIQQRTWPL-IUODEOHRSA-N 0 0 279.380 2.839 20 10 CFCDRN CCC(CC)(CO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000847761193 633069010 /nfs/dbraw/zinc/06/90/10/633069010.db2.gz QRHMCTHMOVQVGB-CYBMUJFWSA-N 0 0 292.423 2.729 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cn[nH]n1 ZINC000819495427 633184544 /nfs/dbraw/zinc/18/45/44/633184544.db2.gz YKOOXDCIVUETIY-UHFFFAOYSA-N 0 0 287.348 2.526 20 10 CFCDRN CC(C)(C)n1ccc(-c2nc(Cc3ccc(N)cc3)no2)n1 ZINC000848617329 633298854 /nfs/dbraw/zinc/29/88/54/633298854.db2.gz GOQDPNYRGFAUEN-UHFFFAOYSA-N 0 0 297.362 2.861 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc(Cl)n1C ZINC000848877017 633356753 /nfs/dbraw/zinc/35/67/53/633356753.db2.gz NNSMFPMQLKYOEK-UHFFFAOYSA-N 0 0 277.755 2.645 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)n2C)cc1 ZINC000848919713 633401576 /nfs/dbraw/zinc/40/15/76/633401576.db2.gz QTZGGQOEHUCFAN-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2cc(C)ccc2O)n1 ZINC000848925798 633408363 /nfs/dbraw/zinc/40/83/63/633408363.db2.gz KYJFDVKUFXRERB-JTQLQIEISA-N 0 0 261.325 2.585 20 10 CFCDRN CCOc1ccc(CN(C)[C@H](C)c2nc(C)no2)c(O)c1 ZINC000848926128 633408719 /nfs/dbraw/zinc/40/87/19/633408719.db2.gz RFVIARVVRBUCCF-SNVBAGLBSA-N 0 0 291.351 2.675 20 10 CFCDRN CCN1C(=O)/C(=C\c2c(C3CC3)cnn2C)SC1=S ZINC000849240895 633588115 /nfs/dbraw/zinc/58/81/15/633588115.db2.gz XPQYCSZJDMXHRZ-IZZDOVSWSA-N 0 0 293.417 2.519 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC1CC1 ZINC000849253367 633592448 /nfs/dbraw/zinc/59/24/48/633592448.db2.gz GRTSAIDFNACGCF-UHFFFAOYSA-N 0 0 291.464 2.859 20 10 CFCDRN CC(C)(C)n1cc(COC(=O)C2=CC(=O)CS2)cn1 ZINC000849727502 633691240 /nfs/dbraw/zinc/69/12/40/633691240.db2.gz DWQHICYJBKUYRN-UHFFFAOYSA-N 0 0 280.349 2.762 20 10 CFCDRN O=C1NCCCC[C@H]1Sc1ncc(Cl)s1 ZINC000849999804 633786741 /nfs/dbraw/zinc/78/67/41/633786741.db2.gz YOYXSLGNPCWZHH-ZCFIWIBFSA-N 0 0 262.787 2.557 20 10 CFCDRN C[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000253592801 651064120 /nfs/dbraw/zinc/06/41/20/651064120.db2.gz ZDWDKGWZEFAUDC-BPLDGKMQSA-N 0 0 289.375 2.556 20 10 CFCDRN CCN(CC)c1ccc(CNCc2nc(C)c[nH]2)cc1F ZINC000850128800 633849798 /nfs/dbraw/zinc/84/97/98/633849798.db2.gz JSNOXYWXMPEHFE-UHFFFAOYSA-N 0 0 290.386 2.993 20 10 CFCDRN CON(C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850478179 634008879 /nfs/dbraw/zinc/00/88/79/634008879.db2.gz PKZBDAMTNOOGDT-VIFPVBQESA-N 0 0 292.301 2.555 20 10 CFCDRN CC[C@@H]([NH2+]CCN(C)OC)c1cccc(Cl)c1[O-] ZINC000850477817 634009238 /nfs/dbraw/zinc/00/92/38/634009238.db2.gz KOOARKFQFATQMQ-GFCCVEGCSA-N 0 0 272.776 2.580 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(F)cc1[O-] ZINC000850513051 634025336 /nfs/dbraw/zinc/02/53/36/634025336.db2.gz BYUIWLOGYRROAR-GWCFXTLKSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(Cl)cc1[O-] ZINC000850545452 634045880 /nfs/dbraw/zinc/04/58/80/634045880.db2.gz GXWRGDQUEHGKAW-HERUPUMHSA-N 0 0 281.783 3.000 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(F)cc1[O-] ZINC000850545020 634046165 /nfs/dbraw/zinc/04/61/65/634046165.db2.gz DEHITPIRGBECMO-NWANDNLSSA-N 0 0 279.355 2.876 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(F)cc(F)c1[O-] ZINC000850546227 634047310 /nfs/dbraw/zinc/04/73/10/634047310.db2.gz XVBZUULNCPWGTA-GXSJLCMTSA-N 0 0 285.334 2.730 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ncccn2)c2c1c(F)ccc2O ZINC000850553152 634051375 /nfs/dbraw/zinc/05/13/75/634051375.db2.gz UWFBNADZWLCWHF-KOLCDFICSA-N 0 0 273.311 2.659 20 10 CFCDRN C[C@H]([NH2+]CC1CCC(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000850553666 634051448 /nfs/dbraw/zinc/05/14/48/634051448.db2.gz AICYBNITFKPJFJ-BMQDGWLCSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1 ZINC000852778860 634832523 /nfs/dbraw/zinc/83/25/23/634832523.db2.gz XGZSTHNBWMSEJK-WBMJQRKESA-N 0 0 298.377 2.997 20 10 CFCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@](C)(C(F)F)O1 ZINC000852778858 634832550 /nfs/dbraw/zinc/83/25/50/634832550.db2.gz XGZSTHNBWMSEJK-LRDDRELGSA-N 0 0 298.377 2.997 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1cnccn1 ZINC000853451015 635003145 /nfs/dbraw/zinc/00/31/45/635003145.db2.gz WIRZZFWPQFEFTA-UHFFFAOYSA-N 0 0 256.353 2.569 20 10 CFCDRN CCOC(=O)c1cnc(N(C)Cc2ccccc2O)s1 ZINC000853462410 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C[C@H]1CC[C@H](CCC(=O)N2Cc3cccc(O)c3C2)O1 ZINC000871202615 641242016 /nfs/dbraw/zinc/24/20/16/641242016.db2.gz JUAAFZWXGYLEIP-WCQYABFASA-N 0 0 275.348 2.582 20 10 CFCDRN C[C@H]1CC/C(=C\C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202962 641243145 /nfs/dbraw/zinc/24/31/45/641243145.db2.gz IAKLHSLJJYMOMM-SERMCNLOSA-N 0 0 257.333 2.981 20 10 CFCDRN C[C@@H]1CC/C(=C\C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202961 641243255 /nfs/dbraw/zinc/24/32/55/641243255.db2.gz IAKLHSLJJYMOMM-OYGDSYQHSA-N 0 0 257.333 2.981 20 10 CFCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1CC(C)C ZINC000871204289 641243716 /nfs/dbraw/zinc/24/37/16/641243716.db2.gz XKBFUPUTGNMXRC-UHFFFAOYSA-N 0 0 299.374 2.709 20 10 CFCDRN CN1CCc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc21 ZINC000871205293 641244028 /nfs/dbraw/zinc/24/40/28/641244028.db2.gz YKPDXJGDKHYCTA-UHFFFAOYSA-N 0 0 294.354 2.541 20 10 CFCDRN CO[C@H]1CCC[C@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205144 641244313 /nfs/dbraw/zinc/24/43/13/641244313.db2.gz OYHKXQNPMNSSBM-JSGCOSHPSA-N 0 0 289.375 2.830 20 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CFCDRN O=C(OC[C@@H]1CC2(CCC2)CO1)C1=CC(=O)CS1 ZINC000873359123 642152163 /nfs/dbraw/zinc/15/21/63/642152163.db2.gz HQZZTYCNZVDJFE-JTQLQIEISA-N 0 0 268.334 2.570 20 10 CFCDRN C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873750606 642293522 /nfs/dbraw/zinc/29/35/22/642293522.db2.gz IZKBYYDJOLLCDH-JTQLQIEISA-N 0 0 274.324 2.864 20 10 CFCDRN CC(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124743646 642310044 /nfs/dbraw/zinc/31/00/44/642310044.db2.gz BFSSWNQMRIYVQA-UHFFFAOYSA-N 0 0 273.380 2.518 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccnc2)c1 ZINC000875012610 642576421 /nfs/dbraw/zinc/57/64/21/642576421.db2.gz MSEZPVMOKZDFOM-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN CC(C)(C)SCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875218414 642596652 /nfs/dbraw/zinc/59/66/52/642596652.db2.gz DVBRPXJUGHKXDE-UHFFFAOYSA-N 0 0 294.420 2.949 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1O ZINC000875345936 642611179 /nfs/dbraw/zinc/61/11/79/642611179.db2.gz XFIHRMASBNSHLJ-MNOVXSKESA-N 0 0 280.393 2.648 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875518834 642633936 /nfs/dbraw/zinc/63/39/36/642633936.db2.gz RERFZRJBCLAPHN-PWSUYJOCSA-N 0 0 260.337 2.606 20 10 CFCDRN CC(C)=CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875528389 642636389 /nfs/dbraw/zinc/63/63/89/642636389.db2.gz XBKOYGSJMYIEDP-UHFFFAOYSA-N 0 0 260.337 2.774 20 10 CFCDRN CC1(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875546391 642640435 /nfs/dbraw/zinc/64/04/35/642640435.db2.gz YFSBIAYLLHVSOL-UHFFFAOYSA-N 0 0 260.337 2.608 20 10 CFCDRN C[C@@H]1CC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875550884 642641319 /nfs/dbraw/zinc/64/13/19/642641319.db2.gz FELCQHPHUHBWCB-VXGBXAGGSA-N 0 0 274.364 2.854 20 10 CFCDRN O=C(NCC1=CCCCC1)N1Cc2cccc(O)c2C1 ZINC000875627670 642654592 /nfs/dbraw/zinc/65/45/92/642654592.db2.gz CGTDMDSEPLNNCA-UHFFFAOYSA-N 0 0 272.348 2.918 20 10 CFCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875662140 642661502 /nfs/dbraw/zinc/66/15/02/642661502.db2.gz XDKLRNBQGQPXFL-TZMCWYRMSA-N 0 0 274.364 2.852 20 10 CFCDRN Cc1cc(CNC(=O)N2Cc3cccc(O)c3C2)cc(C)n1 ZINC000875676206 642664084 /nfs/dbraw/zinc/66/40/84/642664084.db2.gz JUGUXVCHUIOBLJ-UHFFFAOYSA-N 0 0 297.358 2.629 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccccn2)c1 ZINC000875710065 642672140 /nfs/dbraw/zinc/67/21/40/642672140.db2.gz TYRSOPDMASFPDB-ZDUSSCGKSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccn1 ZINC000875710856 642673257 /nfs/dbraw/zinc/67/32/57/642673257.db2.gz RREYFQCENZWMSE-OLZOCXBDSA-N 0 0 299.374 2.951 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCSC1 ZINC000875940413 642721044 /nfs/dbraw/zinc/72/10/44/642721044.db2.gz WWXSIKGYDABBLO-GFCCVEGCSA-N 0 0 294.420 2.677 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCCC23CC3)c1O ZINC000875947203 642723701 /nfs/dbraw/zinc/72/37/01/642723701.db2.gz MICZGXPUSDNNFA-ZDUSSCGKSA-N 0 0 290.363 2.533 20 10 CFCDRN COc1cc(N(C)CCOCC2CC2)cc(OC)c1OC ZINC000125689297 642735859 /nfs/dbraw/zinc/73/58/59/642735859.db2.gz PIGUKZIFCOSKRM-UHFFFAOYSA-N 0 0 295.379 2.575 20 10 CFCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)o1 ZINC000876049431 642759081 /nfs/dbraw/zinc/75/90/81/642759081.db2.gz ZIPQDMJLURGAFS-UHFFFAOYSA-N 0 0 274.320 2.635 20 10 CFCDRN CC(C)(C(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 ZINC000876504123 642896346 /nfs/dbraw/zinc/89/63/46/642896346.db2.gz KALCZQTYNKIPBF-ZDUSSCGKSA-N 0 0 262.353 2.803 20 10 CFCDRN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000086755136 650797534 /nfs/dbraw/zinc/79/75/34/650797534.db2.gz NIHZDFONWDNAJI-ZDUSSCGKSA-N 0 0 263.337 2.612 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc(F)c1F ZINC000876621136 642949553 /nfs/dbraw/zinc/94/95/53/642949553.db2.gz WDAIINWAIWBEGI-NSHDSACASA-N 0 0 293.317 2.773 20 10 CFCDRN [O-]c1c(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc(F)c1F ZINC000876689576 642974859 /nfs/dbraw/zinc/97/48/59/642974859.db2.gz GSGHCXFWIZCLPO-CYBMUJFWSA-N 0 0 296.361 2.731 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000876769999 643002336 /nfs/dbraw/zinc/00/23/36/643002336.db2.gz GBRNDGTUBBGYKJ-ZWNOBZJWSA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000876781130 643005474 /nfs/dbraw/zinc/00/54/74/643005474.db2.gz KAGSOCXMYRHDTQ-KBPBESRZSA-N 0 0 261.365 2.559 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc(F)c1F ZINC000876804900 643015595 /nfs/dbraw/zinc/01/55/95/643015595.db2.gz VTLDWOBYARUIMQ-WCQYABFASA-N 0 0 283.318 2.671 20 10 CFCDRN CC(C)CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876808338 643018351 /nfs/dbraw/zinc/01/83/51/643018351.db2.gz HTIVRNNPZLSBPS-LBPRGKRZSA-N 0 0 285.334 2.917 20 10 CFCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126188585 643027926 /nfs/dbraw/zinc/02/79/26/643027926.db2.gz TYICXSSFGYDASF-JTQLQIEISA-N 0 0 257.289 2.589 20 10 CFCDRN Cc1ccc(CNc2ccc(N(C)CCO)cc2)c(O)c1 ZINC000876855168 643038783 /nfs/dbraw/zinc/03/87/83/643038783.db2.gz ZGYXUBOCZXJSQX-UHFFFAOYSA-N 0 0 286.375 2.741 20 10 CFCDRN Cc1cccc(O)c1CNc1cnn(CC(F)F)c1 ZINC000876877799 643046377 /nfs/dbraw/zinc/04/63/77/643046377.db2.gz IFPAJPRQWSGGOU-UHFFFAOYSA-N 0 0 267.279 2.774 20 10 CFCDRN O=C(NC1CCCCCCC1)c1cccc(O)c1O ZINC000126207462 643048856 /nfs/dbraw/zinc/04/88/56/643048856.db2.gz KHFXWVJPYNEJIS-UHFFFAOYSA-N 0 0 263.337 2.941 20 10 CFCDRN C[C@H]1Cc2ccccc2N1C(=O)c1cccc(O)c1O ZINC000126213433 643052269 /nfs/dbraw/zinc/05/22/69/643052269.db2.gz QAPPOUQOXCBUHV-JTQLQIEISA-N 0 0 269.300 2.689 20 10 CFCDRN O=C(Nc1ccc(F)c(F)c1)c1cccc(O)c1O ZINC000126219088 643054463 /nfs/dbraw/zinc/05/44/63/643054463.db2.gz HIDDZWTXJDDLCZ-UHFFFAOYSA-N 0 0 265.215 2.628 20 10 CFCDRN Cc1cccc(NC(=O)c2cccc(O)c2O)c1C ZINC000126233752 643056371 /nfs/dbraw/zinc/05/63/71/643056371.db2.gz ANLKVXXPXHZYEU-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccc(F)c1F ZINC000876916183 643063096 /nfs/dbraw/zinc/06/30/96/643063096.db2.gz NFTFGLRODMNUQE-LBPRGKRZSA-N 0 0 291.297 2.764 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCC[C@@H](C)C1 ZINC000876932120 643069590 /nfs/dbraw/zinc/06/95/90/643069590.db2.gz DOQSYCGKVIOGCT-NEPJUHHUSA-N 0 0 298.377 2.880 20 10 CFCDRN C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877037329 643114422 /nfs/dbraw/zinc/11/44/22/643114422.db2.gz MXXBGUKKKMQSKV-INIZCTEOSA-N 0 0 293.313 2.668 20 10 CFCDRN CN(C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(N)cc1 ZINC000877074438 643136276 /nfs/dbraw/zinc/13/62/76/643136276.db2.gz KLIKYOMADZBQBU-IXDOHACOSA-N 0 0 278.355 2.818 20 10 CFCDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)c1ccncc1 ZINC000877074242 643136686 /nfs/dbraw/zinc/13/66/86/643136686.db2.gz DKPFLRLWCFSMTJ-GFCCVEGCSA-N 0 0 269.348 2.820 20 10 CFCDRN CN(C(=O)C1(C(F)F)CCC1)c1ccc(N)cc1 ZINC000877074793 643137640 /nfs/dbraw/zinc/13/76/40/643137640.db2.gz SHVQNZMYNUEHDU-UHFFFAOYSA-N 0 0 254.280 2.667 20 10 CFCDRN CN(C(=O)CCCc1ccccn1)c1ccc(N)cc1 ZINC000877077307 643138644 /nfs/dbraw/zinc/13/86/44/643138644.db2.gz CDMLWCOEJQBFTL-UHFFFAOYSA-N 0 0 269.348 2.650 20 10 CFCDRN CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(N)cc1 ZINC000877077701 643139096 /nfs/dbraw/zinc/13/90/96/643139096.db2.gz RJSOHUDZZVJQFJ-UHFFFAOYSA-N 0 0 296.374 2.541 20 10 CFCDRN Cc1cncc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877114948 643158035 /nfs/dbraw/zinc/15/80/35/643158035.db2.gz CRHYHNCOYRWSHG-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CC1(C)CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000126436481 643212174 /nfs/dbraw/zinc/21/21/74/643212174.db2.gz QWSXFHKOSZAGGE-UHFFFAOYSA-N 0 0 263.337 2.796 20 10 CFCDRN COc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000126466624 643234082 /nfs/dbraw/zinc/23/40/82/643234082.db2.gz ZSZJQOXMCCFTCJ-SNVBAGLBSA-N 0 0 287.315 2.597 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000877394583 643257261 /nfs/dbraw/zinc/25/72/61/643257261.db2.gz FHSJQXYIUFWGJP-HZPDHXFCSA-N 0 0 297.345 2.965 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000877475481 643293415 /nfs/dbraw/zinc/29/34/15/643293415.db2.gz IPUNXYJKMRTQRM-VIFPVBQESA-N 0 0 273.348 2.998 20 10 CFCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877480101 643296711 /nfs/dbraw/zinc/29/67/11/643296711.db2.gz JRSOKVGHIJKPLY-HNNXBMFYSA-N 0 0 285.334 2.797 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(C2(O)COC2)cc1 ZINC000877532083 643335232 /nfs/dbraw/zinc/33/52/32/643335232.db2.gz DVWYXGIKZIKGRA-UHFFFAOYSA-N 0 0 285.343 2.531 20 10 CFCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877538631 643341721 /nfs/dbraw/zinc/34/17/21/643341721.db2.gz GBDJAKKOSBVJKQ-LLVKDONJSA-N 0 0 286.366 2.880 20 10 CFCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877588550 643382820 /nfs/dbraw/zinc/38/28/20/643382820.db2.gz SCLHQXHDWCIVSX-RFAUZJTJSA-N 0 0 285.334 2.964 20 10 CFCDRN CO[C@](C)([C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877588548 643383001 /nfs/dbraw/zinc/38/30/01/643383001.db2.gz SCLHQXHDWCIVSX-BJOHPYRUSA-N 0 0 285.334 2.964 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)C(C)C ZINC000877590796 643385281 /nfs/dbraw/zinc/38/52/81/643385281.db2.gz HOYRIKSBSQHLRX-YPMHNXCESA-N 0 0 273.323 2.556 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H]2C2CCC2)ccc(F)c1F ZINC000877597570 643389837 /nfs/dbraw/zinc/38/98/37/643389837.db2.gz PZTVXSWTFPFIBS-CMPLNLGQSA-N 0 0 253.292 2.949 20 10 CFCDRN Cc1ccc(CN2CCc3cc(Cl)nnc3C2)c(O)c1 ZINC000877603937 643392489 /nfs/dbraw/zinc/39/24/89/643392489.db2.gz FUXIFISQJUHLRO-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605841 643393453 /nfs/dbraw/zinc/39/34/53/643393453.db2.gz KBOHJMTXSNQSRJ-MWLCHTKSSA-N 0 0 273.323 2.557 20 10 CFCDRN COCc1ccnc(NCc2ccc(C)cc2O)c1 ZINC000877616184 643402181 /nfs/dbraw/zinc/40/21/81/643402181.db2.gz FHILWFXLLSANNP-UHFFFAOYSA-N 0 0 258.321 2.854 20 10 CFCDRN COCc1ccnc(NCc2c(C)cccc2O)c1 ZINC000877616149 643402539 /nfs/dbraw/zinc/40/25/39/643402539.db2.gz DXFOUCXIYUWQPB-UHFFFAOYSA-N 0 0 258.321 2.854 20 10 CFCDRN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877631751 643416675 /nfs/dbraw/zinc/41/66/75/643416675.db2.gz MXXRQYACVWZPAE-LBPRGKRZSA-N 0 0 298.377 2.880 20 10 CFCDRN Cc1cccc(CNc2cnn3c2CCCC3)c1O ZINC000877692792 643457594 /nfs/dbraw/zinc/45/75/94/643457594.db2.gz UKUAFDBYXDFHGA-UHFFFAOYSA-N 0 0 257.337 2.846 20 10 CFCDRN CC[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877691308 643458168 /nfs/dbraw/zinc/45/81/68/643458168.db2.gz MKMRFONRBIGPPZ-CQSZACIVSA-N 0 0 269.772 2.783 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000877700106 643462635 /nfs/dbraw/zinc/46/26/35/643462635.db2.gz DMZWVUFFRNDGKH-JTQLQIEISA-N 0 0 294.351 2.977 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccnn1CC1CC1)C2 ZINC000877703222 643468744 /nfs/dbraw/zinc/46/87/44/643468744.db2.gz WTUBOLCHEWDHHT-UHFFFAOYSA-N 0 0 269.348 2.515 20 10 CFCDRN Cc1ccc(CC(=O)N(C)Cc2ccccc2O)cc1O ZINC000089436891 650842661 /nfs/dbraw/zinc/84/26/61/650842661.db2.gz BRURCEZXOHGIIZ-UHFFFAOYSA-N 0 0 285.343 2.607 20 10 CFCDRN CC1(C)C[C@@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877751291 643527603 /nfs/dbraw/zinc/52/76/03/643527603.db2.gz AWMSPGYCJMORMT-SNVBAGLBSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877777744 643553918 /nfs/dbraw/zinc/55/39/18/643553918.db2.gz DJFNVTBSNJXCBM-KCJUWKMLSA-N 0 0 275.751 2.824 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H]2C)cc1OC ZINC000877995648 643686042 /nfs/dbraw/zinc/68/60/42/643686042.db2.gz IZJROESTSLWJCZ-RYUDHWBXSA-N 0 0 265.353 2.565 20 10 CFCDRN COc1cc(N(C)C[C@H]2CCO[C@H]2C)cc(OC)c1OC ZINC000878128543 643750884 /nfs/dbraw/zinc/75/08/84/643750884.db2.gz FRFRDYKZILAXQO-NWDGAFQWSA-N 0 0 295.379 2.574 20 10 CFCDRN CC(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000878215749 643796600 /nfs/dbraw/zinc/79/66/00/643796600.db2.gz HVNSVEQEFAOPJN-UHFFFAOYSA-N 0 0 255.264 2.630 20 10 CFCDRN CCN(CCc1ccc(C(N)=O)cc1)c1ccc(OC)cc1 ZINC000878219115 643797658 /nfs/dbraw/zinc/79/76/58/643797658.db2.gz HBWGAFBJCIXCIV-UHFFFAOYSA-N 0 0 298.386 2.863 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])on1 ZINC000127877272 644342774 /nfs/dbraw/zinc/34/27/74/644342774.db2.gz TUVAWFLUCOEUPN-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CCc1noc([C@@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651577 644364726 /nfs/dbraw/zinc/36/47/26/644364726.db2.gz BSAWWRWPROTQHO-VHSXEESVSA-N 0 0 261.325 2.749 20 10 CFCDRN C[C@@H](NC(=O)C1(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000128125669 644496289 /nfs/dbraw/zinc/49/62/89/644496289.db2.gz HJANOWPVJDTXIS-CYBMUJFWSA-N 0 0 288.391 2.501 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCSC(C)(C)C2)c(O)c1O ZINC000888802864 644581818 /nfs/dbraw/zinc/58/18/18/644581818.db2.gz LUJBGFLKQXRODC-SNVBAGLBSA-N 0 0 295.404 2.810 20 10 CFCDRN c1cc(CNCc2ccc(N3CCCCC3)cc2)no1 ZINC000093305886 650938038 /nfs/dbraw/zinc/93/80/38/650938038.db2.gz AUVHJMZFGLNFCB-UHFFFAOYSA-N 0 0 271.364 2.955 20 10 CFCDRN Cc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000128420613 644706920 /nfs/dbraw/zinc/70/69/20/644706920.db2.gz TVSVCKUFCZGOPA-UHFFFAOYSA-N 0 0 286.331 2.770 20 10 CFCDRN C[C@H](NC(=O)NCCCSc1nccs1)C(F)F ZINC000881280826 644942994 /nfs/dbraw/zinc/94/29/94/644942994.db2.gz OZLLUHXHYJVJAY-ZETCQYMHSA-N 0 0 295.380 2.578 20 10 CFCDRN O=C(c1ncsc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000881429277 644971992 /nfs/dbraw/zinc/97/19/92/644971992.db2.gz XIFSYBHXGXGSFO-UHFFFAOYSA-N 0 0 286.356 2.882 20 10 CFCDRN O=C(NCCC[C@@H]1C=CCC1)c1c(F)ccc(O)c1O ZINC000881457863 644978903 /nfs/dbraw/zinc/97/89/03/644978903.db2.gz QPXGEIWDKOQYPV-SNVBAGLBSA-N 0 0 279.311 2.713 20 10 CFCDRN COc1ccc(N2CCN(c3ccncc3F)CC2)cc1 ZINC000881744702 645119519 /nfs/dbraw/zinc/11/95/19/645119519.db2.gz RHOBLMSBSHMWNH-UHFFFAOYSA-N 0 0 287.338 2.556 20 10 CFCDRN Cc1cnc(C)c(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000882170915 645229178 /nfs/dbraw/zinc/22/91/78/645229178.db2.gz HSZFUTYZESBNAL-VIFPVBQESA-N 0 0 273.336 2.548 20 10 CFCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2O)n1 ZINC000130074630 645449338 /nfs/dbraw/zinc/44/93/38/645449338.db2.gz QZIXFUADDTWPTO-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN Cc1cc(C)n(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000882879896 645488592 /nfs/dbraw/zinc/48/85/92/645488592.db2.gz RZBAYNVGFWFXCZ-UHFFFAOYSA-N 0 0 295.333 2.664 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000882883664 645491034 /nfs/dbraw/zinc/49/10/34/645491034.db2.gz HOLCLMJYYTYGRC-ZDUSSCGKSA-N 0 0 291.297 2.764 20 10 CFCDRN O=C(CSc1nccn1C1CC1)c1ccc(O)c(O)c1 ZINC000026121042 645495272 /nfs/dbraw/zinc/49/52/72/645495272.db2.gz VYHDDOGXTCHILY-UHFFFAOYSA-N 0 0 290.344 2.604 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC000883017115 645564671 /nfs/dbraw/zinc/56/46/71/645564671.db2.gz XOOIOKUUYHEMMN-AWEZNQCLSA-N 0 0 299.342 2.729 20 10 CFCDRN C=C/C=C/CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000883077844 645595120 /nfs/dbraw/zinc/59/51/20/645595120.db2.gz YHAGMIFDIMGVNW-AATRIKPKSA-N 0 0 273.380 2.684 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000883088928 645600238 /nfs/dbraw/zinc/60/02/38/645600238.db2.gz VBSGRGKTEIMDGK-GXTWGEPZSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000883089474 645600383 /nfs/dbraw/zinc/60/03/83/645600383.db2.gz LANPAHIAYVOTOI-CVEARBPZSA-N 0 0 297.345 2.965 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000883121091 645612176 /nfs/dbraw/zinc/61/21/76/645612176.db2.gz XMGRRBBHTYMZIF-MEBBXXQBSA-N 0 0 293.313 2.882 20 10 CFCDRN CCc1oc(C(=O)NCc2cccc(OC)c2O)cc1C ZINC000131045170 645616643 /nfs/dbraw/zinc/61/66/43/645616643.db2.gz IYMLYYBTPWQAIM-UHFFFAOYSA-N 0 0 289.331 2.795 20 10 CFCDRN COCC1(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883130510 645617901 /nfs/dbraw/zinc/61/79/01/645617901.db2.gz HYOUGOHPAAQCNT-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000883134893 645619961 /nfs/dbraw/zinc/61/99/61/645619961.db2.gz NORDNVCYBVPAAU-HIFRSBDPSA-N 0 0 297.345 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000883134895 645620335 /nfs/dbraw/zinc/62/03/35/645620335.db2.gz NORDNVCYBVPAAU-ZFWWWQNUSA-N 0 0 297.345 2.557 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccns1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883247423 645695228 /nfs/dbraw/zinc/69/52/28/645695228.db2.gz JTARSUBJYWTHLO-SECBINFHSA-N 0 0 293.348 2.650 20 10 CFCDRN COc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000214623058 645847961 /nfs/dbraw/zinc/84/79/61/645847961.db2.gz AWFUHISUKJQLHQ-CLFYSBASSA-N 0 0 285.299 2.758 20 10 CFCDRN CCOCCCN(C)c1ccc(OC)cc1OC ZINC000132019117 645863065 /nfs/dbraw/zinc/86/30/65/645863065.db2.gz BOOGQIYZQYRBBH-UHFFFAOYSA-N 0 0 253.342 2.567 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ccn2)cc1 ZINC000028020702 645872064 /nfs/dbraw/zinc/87/20/64/645872064.db2.gz LVXDZUICACREQL-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN C[C@H](NC(=O)N1CCC(F)CC1)c1ccc(N(C)C)cc1 ZINC000883582297 645898479 /nfs/dbraw/zinc/89/84/79/645898479.db2.gz QVKAUTCPWPLPLN-LBPRGKRZSA-N 0 0 293.386 2.957 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CO)CCCC2)c1[O-] ZINC000305237623 651055678 /nfs/dbraw/zinc/05/56/78/651055678.db2.gz OJWKTCUXWREBQS-UHFFFAOYSA-N 0 0 297.782 2.643 20 10 CFCDRN Cc1noc(C2CC2)c1C(=O)N(C)Cc1ccccc1O ZINC000133187680 646050675 /nfs/dbraw/zinc/05/06/75/646050675.db2.gz NTYXHNUWBRDQTO-UHFFFAOYSA-N 0 0 286.331 2.838 20 10 CFCDRN CC1(C)CO[C@@H](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000884008982 646094787 /nfs/dbraw/zinc/09/47/87/646094787.db2.gz HZAKXINTQAVHDL-ZDUSSCGKSA-N 0 0 262.353 2.803 20 10 CFCDRN CCc1oc(C(=O)NCc2cc(OC)ccc2O)cc1C ZINC000133461176 646095944 /nfs/dbraw/zinc/09/59/44/646095944.db2.gz YIHOXKGNELDBLQ-UHFFFAOYSA-N 0 0 289.331 2.795 20 10 CFCDRN CC1(C)COCCN1Cc1cc(Cl)ccc1O ZINC000133540366 646139241 /nfs/dbraw/zinc/13/92/41/646139241.db2.gz ILYGGVKVTDKULO-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O ZINC000133747160 646219696 /nfs/dbraw/zinc/21/96/96/646219696.db2.gz DXSKBIQUHHMXAO-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(Cl)ccc1O ZINC000133780114 646227289 /nfs/dbraw/zinc/22/72/89/646227289.db2.gz LUNKFVNHVVEVDL-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CCc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000133779883 646227950 /nfs/dbraw/zinc/22/79/50/646227950.db2.gz YYUSYLJNAFIURR-UHFFFAOYSA-N 0 0 255.317 2.885 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000890235478 646539953 /nfs/dbraw/zinc/53/99/53/646539953.db2.gz DXHQZUXWCAFCAN-GWCFXTLKSA-N 0 0 286.335 2.864 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccccn1)c1c([O-])cccc1F ZINC000886490115 647017332 /nfs/dbraw/zinc/01/73/32/647017332.db2.gz ZNUHZUCHYHKGTD-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@H]([NH2+]CCN1CCCCC1)c1c([O-])cccc1F ZINC000886498462 647020090 /nfs/dbraw/zinc/02/00/90/647020090.db2.gz CILOOHVWXUTTDQ-LBPRGKRZSA-N 0 0 266.360 2.668 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1c([O-])cccc1F ZINC000886501327 647021208 /nfs/dbraw/zinc/02/12/08/647021208.db2.gz GEUHFLRLMCIGOF-GXFFZTMASA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886508615 647022970 /nfs/dbraw/zinc/02/29/70/647022970.db2.gz HMUAFCOGVWSBCQ-QWRGUYRKSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1c([O-])cccc1F ZINC000886506422 647023006 /nfs/dbraw/zinc/02/30/06/647023006.db2.gz RPWCTGOGRIETLD-LBPRGKRZSA-N 0 0 294.370 2.585 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886519347 647026073 /nfs/dbraw/zinc/02/60/73/647026073.db2.gz TTZWURYYFWDYJS-JTQLQIEISA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+]CCOc1cccnc1)c1c([O-])cccc1F ZINC000886528941 647030801 /nfs/dbraw/zinc/03/08/01/647030801.db2.gz UHFDLAWBDOKWEI-NSHDSACASA-N 0 0 276.311 2.656 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1c([O-])cccc1F ZINC000886533060 647033446 /nfs/dbraw/zinc/03/34/46/647033446.db2.gz UDXVVVGMXRQSAJ-SRVKXCTJSA-N 0 0 266.360 2.665 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534218 647034162 /nfs/dbraw/zinc/03/41/62/647034162.db2.gz DGUFMDFIAHBCGH-QJPTWQEYSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1c([O-])cccc1F ZINC000886537009 647035524 /nfs/dbraw/zinc/03/55/24/647035524.db2.gz SALOSUZAQVDZKD-XHDPSFHLSA-N 0 0 298.427 2.619 20 10 CFCDRN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1c([O-])cccc1F ZINC000886539032 647036711 /nfs/dbraw/zinc/03/67/11/647036711.db2.gz RUIGHSFYJAHQBR-FGDXXIHYSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886549084 647042882 /nfs/dbraw/zinc/04/28/82/647042882.db2.gz BNFBNZVYIXBELK-GHMZBOCLSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886549085 647043158 /nfs/dbraw/zinc/04/31/58/647043158.db2.gz BNFBNZVYIXBELK-MNOVXSKESA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1c([O-])cccc1F ZINC000886551189 647043587 /nfs/dbraw/zinc/04/35/87/647043587.db2.gz DCTVEOBZDRKIIT-BXKDBHETSA-N 0 0 275.327 2.983 20 10 CFCDRN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886561521 647047787 /nfs/dbraw/zinc/04/77/87/647047787.db2.gz AMBXKGIXOTYDKH-IAQYHMDHSA-N 0 0 281.371 2.979 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOCC1)c1c([O-])cccc1F ZINC000886561807 647048118 /nfs/dbraw/zinc/04/81/18/647048118.db2.gz JRHJPOAHKVXBQV-WDEREUQCSA-N 0 0 253.317 2.751 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886615768 647068842 /nfs/dbraw/zinc/06/88/42/647068842.db2.gz NHQXNGROIWUNPG-NOZJJQNGSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886615278 647069060 /nfs/dbraw/zinc/06/90/60/647069060.db2.gz CEDJSUUHSMNZLJ-MNOVXSKESA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)C(F)F ZINC000886617212 647070169 /nfs/dbraw/zinc/07/01/69/647070169.db2.gz GUTZZOFUNUHYBF-QOSJWCAFSA-N 0 0 277.286 2.587 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886618509 647070922 /nfs/dbraw/zinc/07/09/22/647070922.db2.gz CLRYVWTXKQODEQ-UFGOTCBOSA-N 0 0 253.317 2.749 20 10 CFCDRN CCc1nc(CN[C@H](C)c2c(O)cccc2F)co1 ZINC000886620660 647072324 /nfs/dbraw/zinc/07/23/24/647072324.db2.gz PNUXJRIENPGDAN-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886622390 647073071 /nfs/dbraw/zinc/07/30/71/647073071.db2.gz RSWSYPADNPXIAT-RYUDHWBXSA-N 0 0 267.344 2.999 20 10 CFCDRN CCn1ccc(CN[C@@H](C)c2c(O)cccc2F)n1 ZINC000886625541 647075330 /nfs/dbraw/zinc/07/53/30/647075330.db2.gz UJTHGAXTLJMVBF-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c([O-])cccc1F ZINC000886625357 647075481 /nfs/dbraw/zinc/07/54/81/647075481.db2.gz OILIOHHRLKXUBR-WRWGMCAJSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886648078 647086993 /nfs/dbraw/zinc/08/69/93/647086993.db2.gz LDEAZTBRSLVWMN-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+]CCc1ccns1)c1c([O-])cccc1F ZINC000886649744 647088397 /nfs/dbraw/zinc/08/83/97/647088397.db2.gz HOMOJIWGSZRQSA-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000886790919 647138295 /nfs/dbraw/zinc/13/82/95/647138295.db2.gz QWWLCKXOBUJYPB-OBJOEFQTSA-N 0 0 297.370 2.624 20 10 CFCDRN O=C(C[C@H]1CC=CCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000924245355 647947891 /nfs/dbraw/zinc/94/78/91/647947891.db2.gz FNYOZLFRECSISS-NSHDSACASA-N 0 0 290.315 2.570 20 10 CFCDRN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2C)on1 ZINC000925079932 648101968 /nfs/dbraw/zinc/10/19/68/648101968.db2.gz JJHIAUFVODGBQV-GFCCVEGCSA-N 0 0 289.379 2.908 20 10 CFCDRN Cc1ccc(NCC[NH2+][C@H](C)c2ccc(F)cc2[O-])nc1 ZINC000927073118 648698463 /nfs/dbraw/zinc/69/84/63/648698463.db2.gz JDRCUJBUKXDQFE-GFCCVEGCSA-N 0 0 289.354 2.997 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000927228545 648741408 /nfs/dbraw/zinc/74/14/08/648741408.db2.gz PUWSVSDTUPILMP-NXEZZACHSA-N 0 0 298.383 2.615 20 10 CFCDRN COC[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000927600093 648804361 /nfs/dbraw/zinc/80/43/61/648804361.db2.gz NYNGKDVPMNVTFW-STQMWFEESA-N 0 0 294.395 2.671 20 10 CFCDRN CSCCCCC(=O)NCc1c(O)cccc1F ZINC000928706507 648944559 /nfs/dbraw/zinc/94/45/59/648944559.db2.gz VCZLAFPVIQDHND-UHFFFAOYSA-N 0 0 271.357 2.681 20 10 CFCDRN CC(C)(CC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928705357 648944632 /nfs/dbraw/zinc/94/46/32/648944632.db2.gz HLLGFNQCVYRYTH-UHFFFAOYSA-N 0 0 265.328 2.974 20 10 CFCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1c(O)cccc1F ZINC000928706189 648944838 /nfs/dbraw/zinc/94/48/38/648944838.db2.gz SOWUBCRWQYDFDL-OAHLLOKOSA-N 0 0 295.354 2.885 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000928705363 648944901 /nfs/dbraw/zinc/94/49/01/648944901.db2.gz HQXHTGKLJZAFCX-HBNTYKKESA-N 0 0 263.312 2.584 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2c(O)cccc2F)no1 ZINC000928705795 648944998 /nfs/dbraw/zinc/94/49/98/648944998.db2.gz MXGVYJKWKQIDLB-UHFFFAOYSA-N 0 0 278.283 2.573 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCC(F)(F)C1 ZINC000928708352 648945298 /nfs/dbraw/zinc/94/52/98/648945298.db2.gz JZJWKFFSFIIHCT-QMMMGPOBSA-N 0 0 273.254 2.583 20 10 CFCDRN O=C(C[C@@H]1C=CCCC1)NCc1c(O)cccc1F ZINC000928708693 648946133 /nfs/dbraw/zinc/94/61/33/648946133.db2.gz QMVDPYPQLPJUGJ-LLVKDONJSA-N 0 0 263.312 2.894 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1c[nH]cc1C1CC1 ZINC000928711080 648946535 /nfs/dbraw/zinc/94/65/35/648946535.db2.gz ZWMWQIJBVYFSHX-UHFFFAOYSA-N 0 0 274.295 2.667 20 10 CFCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)n1cccc1 ZINC000928712247 648946893 /nfs/dbraw/zinc/94/68/93/648946893.db2.gz PGECANWGLZLWNR-LLVKDONJSA-N 0 0 276.311 2.600 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(CCF)c2)cc1OC ZINC000929348535 649036227 /nfs/dbraw/zinc/03/62/27/649036227.db2.gz QRUADPJPYFZJQU-UHFFFAOYSA-N 0 0 293.342 2.506 20 10 CFCDRN CCN(CC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000931267416 649400222 /nfs/dbraw/zinc/40/02/22/649400222.db2.gz RXYLCZQPYJKRDY-VQHVLOKHSA-N 0 0 278.308 2.627 20 10 CFCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000931786322 649489228 /nfs/dbraw/zinc/48/92/28/649489228.db2.gz INFDEBKKZXSMBS-ZCFIWIBFSA-N 0 0 296.676 2.796 20 10 CFCDRN CCOCCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000119869977 651301444 /nfs/dbraw/zinc/30/14/44/651301444.db2.gz QEPWDOVLKDTXPN-UHFFFAOYSA-N 0 0 288.347 2.682 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOC1CCC1 ZINC000690694846 769992052 /nfs/dbraw/zinc/99/20/52/769992052.db2.gz VSCSCJFWRQADQM-UHFFFAOYSA-N 0 0 255.745 2.704 20 10 CFCDRN Cc1cc(C)c(-c2noc(-c3ccc(O)c(O)c3)n2)cn1 ZINC000397360141 770189729 /nfs/dbraw/zinc/18/97/29/770189729.db2.gz CQGMRYLJLGBFCZ-UHFFFAOYSA-N 0 0 283.287 2.827 20 10 CFCDRN CCc1onc(C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407657 770547882 /nfs/dbraw/zinc/54/78/82/770547882.db2.gz XUPPJMMMLUMYPO-ALCCZGGFSA-N 0 0 288.303 2.609 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CC2(CC2)c2ccccc21 ZINC000588409278 770551851 /nfs/dbraw/zinc/55/18/51/770551851.db2.gz KOCUOEJXBDNSQA-WAYWQWQTSA-N 0 0 292.338 2.879 20 10 CFCDRN CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(Cl)cc1O ZINC001140462825 770667924 /nfs/dbraw/zinc/66/79/24/770667924.db2.gz LQCKXKIHTVBQJT-XHDPSFHLSA-N 0 0 295.766 2.573 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(F)ccc1O ZINC000690725612 770778474 /nfs/dbraw/zinc/77/84/74/770778474.db2.gz GQCASPPLRUIJEI-PELKAZGASA-N 0 0 275.270 2.606 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724947743 775192619 /nfs/dbraw/zinc/19/26/19/775192619.db2.gz VGKZGOFJUXOUKF-QDYJBQRPSA-N 0 0 288.174 2.702 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H](F)C2)c1O ZINC000689862418 775194101 /nfs/dbraw/zinc/19/41/01/775194101.db2.gz GOCACFRYPAXPRR-LLVKDONJSA-N 0 0 269.291 2.668 20 10 CFCDRN CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)ccc1O ZINC000024034700 775732717 /nfs/dbraw/zinc/73/27/17/775732717.db2.gz MLQGPQNHMLPVQT-CQSZACIVSA-N 0 0 288.734 2.924 20 10 CFCDRN Cc1cc(NS(=O)(=O)Cc2ccccc2F)ccc1O ZINC000396448071 775928453 /nfs/dbraw/zinc/92/84/53/775928453.db2.gz BGWRZYUMEUKLIL-UHFFFAOYSA-N 0 0 295.335 2.782 20 10 CFCDRN Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001141156378 775962538 /nfs/dbraw/zinc/96/25/38/775962538.db2.gz VNRVQMAYFVCWST-GFCCVEGCSA-N 0 0 275.270 2.667 20 10 CFCDRN CO[C@@H](C)CO[C@H](C)COc1ccc(N(C)C)cc1 ZINC001227940046 776334816 /nfs/dbraw/zinc/33/48/16/776334816.db2.gz GEXVHLXFFORBTA-QWHCGFSZSA-N 0 0 267.369 2.571 20 10 CFCDRN CC(=O)N1CCN(c2ccc(OC3CCCC3)cc2)CC1 ZINC001228202222 776421011 /nfs/dbraw/zinc/42/10/11/776421011.db2.gz SRVMUIQALDMVJB-UHFFFAOYSA-N 0 0 288.391 2.677 20 10 CFCDRN COc1ccc(N(C)c2ccc(N)cc2)c(CO)c1 ZINC001211749268 776866679 /nfs/dbraw/zinc/86/66/79/776866679.db2.gz HJGBQBPQCGWDJC-UHFFFAOYSA-N 0 0 258.321 2.538 20 10 CFCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453186 777222760 /nfs/dbraw/zinc/22/27/60/777222760.db2.gz DFJCJQHBONRRHB-ZDUSSCGKSA-N 0 0 263.337 2.711 20 10 CFCDRN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CC1 ZINC001231452997 777223610 /nfs/dbraw/zinc/22/36/10/777223610.db2.gz ZKCFLYOQFVONLU-UHFFFAOYSA-N 0 0 263.337 2.711 20 10 CFCDRN O=C1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231469163 777228921 /nfs/dbraw/zinc/22/89/21/777228921.db2.gz RDSQKTXNIGJTFM-UHFFFAOYSA-N 0 0 297.354 2.746 20 10 CFCDRN Cc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC2 ZINC001231560757 777258721 /nfs/dbraw/zinc/25/87/21/777258721.db2.gz LSLOZHBAHLPYFQ-UHFFFAOYSA-N 0 0 297.354 2.957 20 10 CFCDRN C[C@]1(F)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231561227 777260026 /nfs/dbraw/zinc/26/00/26/777260026.db2.gz PUUPLKDJHVSERE-HNNXBMFYSA-N 0 0 281.327 2.805 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231561330 777260133 /nfs/dbraw/zinc/26/01/33/777260133.db2.gz SBDCFVPXAXUIAX-LLVKDONJSA-N 0 0 263.337 2.712 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)c1 ZINC001231560319 777260209 /nfs/dbraw/zinc/26/02/09/777260209.db2.gz GLEKXRMSBATHPR-UHFFFAOYSA-N 0 0 293.338 2.805 20 10 CFCDRN Cc1cc(C)c(CN2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001231848517 777350376 /nfs/dbraw/zinc/35/03/76/777350376.db2.gz ICLIWZQCUJOHSF-QGZVFWFLSA-N 0 0 298.386 2.978 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)C(C)(C)C1 ZINC001231855605 777352213 /nfs/dbraw/zinc/35/22/13/777352213.db2.gz WWILGUQXOSHUDQ-UHFFFAOYSA-N 0 0 290.407 2.562 20 10 CFCDRN Cc1ncc2n1CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868208 777357840 /nfs/dbraw/zinc/35/78/40/777357840.db2.gz RLVPGMBIKMWSLI-UHFFFAOYSA-N 0 0 291.782 2.875 20 10 CFCDRN Oc1c(CN2Cc3cncnc3C2)ccc2ccccc21 ZINC001231879225 777363348 /nfs/dbraw/zinc/36/33/48/777363348.db2.gz ASVAQAKHAKEPJU-UHFFFAOYSA-N 0 0 277.327 2.851 20 10 CFCDRN CC(C)[N@H+](C)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914227 777382512 /nfs/dbraw/zinc/38/25/12/777382512.db2.gz IZDSEILBTGOXEY-ZDUSSCGKSA-N 0 0 282.815 2.960 20 10 CFCDRN COc1cc(O)c(CN2CCCC(=O)[C@H](C)C2)cc1Cl ZINC001232265940 777498920 /nfs/dbraw/zinc/49/89/20/777498920.db2.gz HLIODDPPTWXTNC-SNVBAGLBSA-N 0 0 297.782 2.855 20 10 CFCDRN COc1cc(O)c(CN2CCSCC2)cc1Cl ZINC001232267491 777499365 /nfs/dbraw/zinc/49/93/65/777499365.db2.gz HHQTZKWPODYFKH-UHFFFAOYSA-N 0 0 273.785 2.603 20 10 CFCDRN COc1cc(O)c(CN2CC(C(F)F)C2)cc1Cl ZINC001232270861 777500814 /nfs/dbraw/zinc/50/08/14/777500814.db2.gz LAOMMQBYXXRLCR-UHFFFAOYSA-N 0 0 277.698 2.751 20 10 CFCDRN CCc1nc(CN(C)Cc2ccc(N)cc2)cs1 ZINC000328503071 777761499 /nfs/dbraw/zinc/76/14/99/777761499.db2.gz YGKPEXLGYVGPSP-UHFFFAOYSA-N 0 0 261.394 2.920 20 10 CFCDRN CCN(Cc1cc(O)c(O)c(O)c1)Cc1ccccc1F ZINC001233015809 777766841 /nfs/dbraw/zinc/76/68/41/777766841.db2.gz BMNIKZNZXGWWHM-UHFFFAOYSA-N 0 0 291.322 2.965 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCCC[C@@H](F)C2)ccc(F)c1F ZINC001233073673 777787703 /nfs/dbraw/zinc/78/77/03/777787703.db2.gz BTJAMRGZJZVHRT-SNVBAGLBSA-N 0 0 259.271 2.994 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc(F)c1F ZINC001233076036 777788997 /nfs/dbraw/zinc/78/89/97/777788997.db2.gz KEAYKKMNIOBXNU-MFKMUULPSA-N 0 0 283.318 2.671 20 10 CFCDRN C[N@H+](C1CC1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078977 777789901 /nfs/dbraw/zinc/78/99/01/777789901.db2.gz QNQPEVDZXYRUMO-UHFFFAOYSA-N 0 0 296.361 2.729 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1O ZINC001233288084 777868406 /nfs/dbraw/zinc/86/84/06/777868406.db2.gz VASHECYYYGQRBY-ZWNOBZJWSA-N 0 0 299.798 2.647 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CCc2cnccc2C1 ZINC001233331748 777889192 /nfs/dbraw/zinc/88/91/92/777889192.db2.gz JHUVGAKNLNRKPM-UHFFFAOYSA-N 0 0 276.286 2.624 20 10 CFCDRN CN(Cc1ccccn1)Cc1c(O)ccc(F)c1F ZINC001233331973 777890708 /nfs/dbraw/zinc/89/07/08/777890708.db2.gz SEQWPOWRIZTAGV-UHFFFAOYSA-N 0 0 264.275 2.697 20 10 CFCDRN C[C@]1(F)CCN(Cc2c(O)ccc(F)c2F)C[C@H]1F ZINC001233332576 777894999 /nfs/dbraw/zinc/89/49/99/777894999.db2.gz PLOZCJLOJUISGK-YPMHNXCESA-N 0 0 277.261 2.942 20 10 CFCDRN Cc1nc2c(o1)CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233336761 777897516 /nfs/dbraw/zinc/89/75/16/777897516.db2.gz YZEXBUVWCGBPSL-UHFFFAOYSA-N 0 0 280.274 2.525 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C[C@H]1O ZINC001233415813 777941350 /nfs/dbraw/zinc/94/13/50/777941350.db2.gz JBQCNNUSVUFGEI-BXKDBHETSA-N 0 0 289.297 2.614 20 10 CFCDRN Oc1c(CN2Cc3cncnc3C2)cccc1C(F)(F)F ZINC001233416049 777943070 /nfs/dbraw/zinc/94/30/70/777943070.db2.gz ULZVOWMVQGMQQF-UHFFFAOYSA-N 0 0 295.264 2.717 20 10 CFCDRN Oc1c(CN2C[C@H]3CC[C@@H](C2)O3)cccc1C(F)(F)F ZINC001233415666 777943110 /nfs/dbraw/zinc/94/31/10/777943110.db2.gz DVNYYAVQPPCDPH-PHIMTYICSA-N 0 0 287.281 2.774 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1CCCCO1 ZINC001233452436 777960757 /nfs/dbraw/zinc/96/07/57/777960757.db2.gz WJZHROABINMTAC-UHFFFAOYSA-N 0 0 261.243 2.938 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CCOCC1 ZINC001233495019 777967958 /nfs/dbraw/zinc/96/79/58/777967958.db2.gz KCYKRSRUPGHMHN-UHFFFAOYSA-N 0 0 280.320 2.638 20 10 CFCDRN Cc1cc(C)c(CNC(=O)CCc2ccnc(C)c2)c(O)c1 ZINC001142256311 778135729 /nfs/dbraw/zinc/13/57/29/778135729.db2.gz KOFWTLZCKOTLKR-UHFFFAOYSA-N 0 0 298.386 2.961 20 10 CFCDRN Oc1cccc(Br)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC000714559263 778293200 /nfs/dbraw/zinc/29/32/00/778293200.db2.gz SZXZDBUBJCCGKP-AOOOYVTPSA-N 0 0 292.123 2.647 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCC[C@H]1c1ncccn1 ZINC001142534416 778403792 /nfs/dbraw/zinc/40/37/92/778403792.db2.gz IONDTXUBUGIQBY-ZDUSSCGKSA-N 0 0 291.301 2.798 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235302252 778450236 /nfs/dbraw/zinc/45/02/36/778450236.db2.gz HQBMRHQKYOPFQR-RYUDHWBXSA-N 0 0 287.190 2.635 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cscn1 ZINC000697818188 778468715 /nfs/dbraw/zinc/46/87/15/778468715.db2.gz CIWHQKFHHNBKTC-SNVBAGLBSA-N 0 0 260.362 2.929 20 10 CFCDRN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(C(F)(F)F)cc1O ZINC001235450748 778493958 /nfs/dbraw/zinc/49/39/58/778493958.db2.gz WAKPTGHXIXOXSQ-VHSXEESVSA-N 0 0 288.313 2.593 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCC(=O)[C@H](F)C2)c(O)c1 ZINC001235677587 778533609 /nfs/dbraw/zinc/53/36/09/778533609.db2.gz FXXJJGUKUIJXBL-CYBMUJFWSA-N 0 0 279.355 2.803 20 10 CFCDRN CCSCC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000160299761 778599189 /nfs/dbraw/zinc/59/91/89/778599189.db2.gz SHNFTHLBAOUTIA-JTQLQIEISA-N 0 0 267.398 2.922 20 10 CFCDRN COCOc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001235965192 778632333 /nfs/dbraw/zinc/63/23/33/778632333.db2.gz RUBRAAZGJPSZJF-UHFFFAOYSA-N 0 0 296.326 2.583 20 10 CFCDRN Cc1ccc(O)c(CN2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000698219639 778765716 /nfs/dbraw/zinc/76/57/16/778765716.db2.gz WCGGBJSSIJWTHH-GFCCVEGCSA-N 0 0 289.297 2.854 20 10 CFCDRN COc1cncc(-c2ccn(CC(C)C)c(=O)c2)c1C ZINC001236393459 778801169 /nfs/dbraw/zinc/80/11/69/778801169.db2.gz SNBPPKKPKVMJDU-UHFFFAOYSA-N 0 0 272.348 2.883 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C(F)F ZINC000698421737 778869768 /nfs/dbraw/zinc/86/97/68/778869768.db2.gz NKSGMUZWKGYZRD-UHFFFAOYSA-N 0 0 257.280 2.642 20 10 CFCDRN COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912474 778878326 /nfs/dbraw/zinc/87/83/26/778878326.db2.gz IBESEDWUCYGNJW-NSHDSACASA-N 0 0 297.782 2.821 20 10 CFCDRN O=c1cc(-c2cncc(O)c2)ccn1Cc1cccc(F)c1 ZINC001236585069 778887155 /nfs/dbraw/zinc/88/71/55/778887155.db2.gz JPAFFLOWCSXILW-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN CCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001142719935 778917948 /nfs/dbraw/zinc/91/79/48/778917948.db2.gz ZSICTZGUBIDKLD-UHFFFAOYSA-N 0 0 264.712 2.620 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCn2ccnc2C1 ZINC001236789779 778937699 /nfs/dbraw/zinc/93/76/99/778937699.db2.gz JSRILZOIUVQMRT-UHFFFAOYSA-N 0 0 298.173 2.911 20 10 CFCDRN CCc1ccc(C[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)c(O)c1 ZINC001236792842 778938571 /nfs/dbraw/zinc/93/85/71/778938571.db2.gz SCPGDELNDWXQOW-LRDDRELGSA-N 0 0 293.407 2.974 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC001236793649 778939862 /nfs/dbraw/zinc/93/98/62/778939862.db2.gz MSVVKLPCZWWQSD-GHMZBOCLSA-N 0 0 294.153 2.604 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])[C@H]1CCOC1 ZINC001236795514 778940802 /nfs/dbraw/zinc/94/08/02/778940802.db2.gz FSYOCQJACKQGHE-VIFPVBQESA-N 0 0 276.163 2.920 20 10 CFCDRN COC(=O)CC[N@H+](C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236800617 778943324 /nfs/dbraw/zinc/94/33/24/778943324.db2.gz WUDAMVGCUOINSO-UHFFFAOYSA-N 0 0 292.162 2.694 20 10 CFCDRN COc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1Cl ZINC001236806578 778946775 /nfs/dbraw/zinc/94/67/75/778946775.db2.gz CJZQFGGFWVIPCR-UHFFFAOYSA-N 0 0 267.756 2.896 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CF)C2)c(O)c1 ZINC001236807669 778947033 /nfs/dbraw/zinc/94/70/33/778947033.db2.gz IPQXTZUQDDZHFT-HNNXBMFYSA-N 0 0 267.344 2.891 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001236808274 778948389 /nfs/dbraw/zinc/94/83/89/778948389.db2.gz OHKJNZNGVYFVSU-SUMWQHHRSA-N 0 0 291.391 2.710 20 10 CFCDRN COc1ccc(C[NH+]2CC3(C2)CCOCC3)c([O-])c1Cl ZINC001236814385 778950623 /nfs/dbraw/zinc/95/06/23/778950623.db2.gz WUNAOEMUNXVZSG-UHFFFAOYSA-N 0 0 297.782 2.667 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236827672 778956547 /nfs/dbraw/zinc/95/65/47/778956547.db2.gz VRAAYYVXIMVEJB-BLLLJJGKSA-N 0 0 271.360 2.748 20 10 CFCDRN CC1(F)CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236925343 778982841 /nfs/dbraw/zinc/98/28/41/778982841.db2.gz TUDGZRKDEHSRJR-UHFFFAOYSA-N 0 0 298.789 2.720 20 10 CFCDRN Clc1cc(N2CCOCC2)ccc1CN1CCCCO1 ZINC001236930251 778982879 /nfs/dbraw/zinc/98/28/79/778982879.db2.gz YNICOBLSTWWRDD-UHFFFAOYSA-N 0 0 296.798 2.704 20 10 CFCDRN CC(C)c1ccc(CN2CC[C@H](O)C(F)(F)C2)c(O)c1 ZINC001237049387 778999217 /nfs/dbraw/zinc/99/92/17/778999217.db2.gz NZPMRBTUAILNOD-AWEZNQCLSA-N 0 0 285.334 2.718 20 10 CFCDRN CC1(F)CN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237053755 778999884 /nfs/dbraw/zinc/99/98/84/778999884.db2.gz PERDXIJWEPGVKB-UHFFFAOYSA-N 0 0 293.260 2.877 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(O)c1 ZINC001237050607 778999895 /nfs/dbraw/zinc/99/98/95/778999895.db2.gz SDPUYLSWVJGKRK-QGZVFWFLSA-N 0 0 293.407 2.775 20 10 CFCDRN CC(C)c1ccc(CN2CCn3nccc3C2)c(O)c1 ZINC001237055016 779001503 /nfs/dbraw/zinc/00/15/03/779001503.db2.gz LWQQLLZKLUHOSR-UHFFFAOYSA-N 0 0 271.364 2.728 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](CO)C1 ZINC001237078102 779006511 /nfs/dbraw/zinc/00/65/11/779006511.db2.gz NSUGBNGRSJUFIK-SECBINFHSA-N 0 0 290.190 2.903 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077725 779007934 /nfs/dbraw/zinc/00/79/34/779007934.db2.gz 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AATUYOGOFRMKRM-GFCCVEGCSA-N 0 0 279.380 2.845 20 10 CFCDRN Nc1ccc(NC(=O)NCCSCC(F)(F)F)cc1 ZINC000698865471 779073223 /nfs/dbraw/zinc/07/32/23/779073223.db2.gz FXEXFYQAXBLOMR-UHFFFAOYSA-N 0 0 293.314 2.686 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418253 779104264 /nfs/dbraw/zinc/10/42/64/779104264.db2.gz XJPWXLPRCNLSDD-HZMBPMFUSA-N 0 0 298.789 2.759 20 10 CFCDRN CC[N@@H+]1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237615957 779144028 /nfs/dbraw/zinc/14/40/28/779144028.db2.gz CCQYPMDADZIFAZ-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC001237618369 779146285 /nfs/dbraw/zinc/14/62/85/779146285.db2.gz ZFNIGBXNGHOCMM-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC[C@@](C)(O)[C@@H](F)C2)c1O ZINC001237680654 779159911 /nfs/dbraw/zinc/15/99/11/779159911.db2.gz GAQRUBRTIRHIAO-GXTWGEPZSA-N 0 0 287.762 2.649 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC(=O)CC2)c1O ZINC001237681569 779161581 /nfs/dbraw/zinc/16/15/81/779161581.db2.gz ZTURURCJHPKQQQ-UHFFFAOYSA-N 0 0 267.756 2.909 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+](C)Cc2cncnc2)c1O ZINC001237691199 779162651 /nfs/dbraw/zinc/16/26/51/779162651.db2.gz ZRSOWZQTBPQJIM-UHFFFAOYSA-N 0 0 277.755 2.776 20 10 CFCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799629 779181276 /nfs/dbraw/zinc/18/12/76/779181276.db2.gz SHSUEWOEUWLCEA-KWQFWETISA-N 0 0 273.735 2.530 20 10 CFCDRN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237805468 779183000 /nfs/dbraw/zinc/18/30/00/779183000.db2.gz LZLMRJUCWGZRON-IAQYHMDHSA-N 0 0 298.789 2.568 20 10 CFCDRN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804805 779183171 /nfs/dbraw/zinc/18/31/71/779183171.db2.gz HASVBOGXGMIXSL-CYBMUJFWSA-N 0 0 298.789 2.853 20 10 CFCDRN C[C@]1(O)CCCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804764 779183462 /nfs/dbraw/zinc/18/34/62/779183462.db2.gz FWSQZNDNOJFISI-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@H]1O ZINC001237807783 779184582 /nfs/dbraw/zinc/18/45/82/779184582.db2.gz LYGBRXBWXVPRDR-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccoc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237873716 779198005 /nfs/dbraw/zinc/19/80/05/779198005.db2.gz HFRQSEBSKRSHPG-UHFFFAOYSA-N 0 0 259.305 2.552 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOC2(CC2)C1 ZINC001237939415 779211629 /nfs/dbraw/zinc/21/16/29/779211629.db2.gz CBOKJVNEDZHRBJ-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN CC(C)OC1CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237941612 779212816 /nfs/dbraw/zinc/21/28/16/779212816.db2.gz ZGOGMYVFUWAXFZ-UHFFFAOYSA-N 0 0 273.735 2.794 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237950218 779213950 /nfs/dbraw/zinc/21/39/50/779213950.db2.gz RASUJICWYVZOMR-OWUUHHOZSA-N 0 0 273.710 2.832 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237950537 779213980 /nfs/dbraw/zinc/21/39/80/779213980.db2.gz WLMJWWVUBINVBW-JTQLQIEISA-N 0 0 287.762 2.779 20 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CC(=O)c1ccc(F)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362679 779994714 /nfs/dbraw/zinc/99/47/14/779994714.db2.gz WQJADUOJEIPRKF-UHFFFAOYSA-N 0 0 290.279 2.597 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2ccc(=O)n(C)c2)ncn1 ZINC001240329595 780085164 /nfs/dbraw/zinc/08/51/64/780085164.db2.gz CUUVBZZFEDQOKY-UHFFFAOYSA-N 0 0 292.342 2.610 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(=O)n(C)c2)cn1 ZINC001240332307 780086970 /nfs/dbraw/zinc/08/69/70/780086970.db2.gz HSYPVQVZLRGWLJ-UHFFFAOYSA-N 0 0 279.343 2.855 20 10 CFCDRN COc1cc(C)ccc1-c1noc(-c2nnsc2C)n1 ZINC001212405597 780094136 /nfs/dbraw/zinc/09/41/36/780094136.db2.gz XUUQZFAKHGKXSU-UHFFFAOYSA-N 0 0 288.332 2.881 20 10 CFCDRN COc1ccc(F)c(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405633 780096387 /nfs/dbraw/zinc/09/63/87/780096387.db2.gz ZVLUFMUTCWMSEO-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2c[nH]nc2C)n1C ZINC001240517536 780224875 /nfs/dbraw/zinc/22/48/75/780224875.db2.gz ZXWUOZKBWGNWIF-UHFFFAOYSA-N 0 0 298.346 2.757 20 10 CFCDRN CNC(=O)c1ncc(-c2ccc3ccn(C)c3c2)cc1C ZINC001240576382 780267182 /nfs/dbraw/zinc/26/71/82/780267182.db2.gz GSWPTUKDTVIGAX-UHFFFAOYSA-N 0 0 279.343 2.908 20 10 CFCDRN COc1cc(-c2ccn(CC(C)C)c(=O)c2)cnc1OC ZINC001240622535 780301456 /nfs/dbraw/zinc/30/14/56/780301456.db2.gz WNUQBTHSPRABLK-UHFFFAOYSA-N 0 0 288.347 2.584 20 10 CFCDRN COCCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000131891850 780362502 /nfs/dbraw/zinc/36/25/02/780362502.db2.gz HMJMNLHPJWSDHA-UHFFFAOYSA-N 0 0 292.404 2.874 20 10 CFCDRN CCO[C@H](C)n1cc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001240748904 780412134 /nfs/dbraw/zinc/41/21/34/780412134.db2.gz BWBJCQMTUKNMKP-LLVKDONJSA-N 0 0 285.351 2.695 20 10 CFCDRN COc1c(F)ccc(N(CCO)c2ccc(N)cc2)c1F ZINC001212501212 780430847 /nfs/dbraw/zinc/43/08/47/780430847.db2.gz PKRIRECKUIDNBC-UHFFFAOYSA-N 0 0 294.301 2.686 20 10 CFCDRN CCC[C@@H](C)NC(=O)[C@H](C)Sc1nccs1 ZINC000133244040 780438478 /nfs/dbraw/zinc/43/84/78/780438478.db2.gz FOBLSIPWQDLJEK-BDAKNGLRSA-N 0 0 258.412 2.929 20 10 CFCDRN COc1ncc(-c2cccc3c2ccn3C)c(OC)n1 ZINC001240904464 780511219 /nfs/dbraw/zinc/51/12/19/780511219.db2.gz KADXCJIXSFNFQY-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN Cc1c[nH]c2ncc(-c3ccc4ncc(=O)n(C)c4c3)cc12 ZINC001240957612 780548444 /nfs/dbraw/zinc/54/84/44/780548444.db2.gz OETGGIUKCFHQIC-UHFFFAOYSA-N 0 0 290.326 2.785 20 10 CFCDRN CCn1ccc(-c2cnc3[nH]cc(C)c3c2)cc1=O ZINC001240963584 780553329 /nfs/dbraw/zinc/55/33/29/780553329.db2.gz UFCKVVHGLXGPGZ-UHFFFAOYSA-N 0 0 253.305 2.720 20 10 CFCDRN Cn1ccc(-c2nc(C(F)(F)F)cc3cc[nH]c32)cc1=O ZINC001240977835 780566778 /nfs/dbraw/zinc/56/67/78/780566778.db2.gz PKMYICUJZZFUSM-UHFFFAOYSA-N 0 0 293.248 2.947 20 10 CFCDRN Cn1ccc(-c2ccc(F)c3cccnc32)cc1=O ZINC001240988385 780575343 /nfs/dbraw/zinc/57/53/43/780575343.db2.gz BWWGEPBXEIWGKF-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cn1ccc(-c2cccc3c2NC(=O)C(C)(C)C3)cc1=O ZINC001241001726 780585935 /nfs/dbraw/zinc/58/59/35/780585935.db2.gz GODBONVAIAVLIO-UHFFFAOYSA-N 0 0 282.343 2.573 20 10 CFCDRN CN(Cc1nnc(C2CC2)s1)Cc1ccccc1O ZINC001117757183 780629083 /nfs/dbraw/zinc/62/90/83/780629083.db2.gz QTTVCKPGJDJLHO-UHFFFAOYSA-N 0 0 275.377 2.753 20 10 CFCDRN Cn1c2cc(-c3ccccc3N)ccc2ccc1=O ZINC001241078961 780629131 /nfs/dbraw/zinc/62/91/31/780629131.db2.gz HQKPNRZJPSVTHR-UHFFFAOYSA-N 0 0 250.301 2.788 20 10 CFCDRN COC(=O)c1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241337360 780792045 /nfs/dbraw/zinc/79/20/45/780792045.db2.gz ACLIBBXNKJHVFO-UHFFFAOYSA-N 0 0 295.342 2.557 20 10 CFCDRN c1ccc(N2CC=C(c3cncc4nnoc43)CC2)cc1 ZINC001241360824 780811331 /nfs/dbraw/zinc/81/13/31/780811331.db2.gz YYHVKYKKDOUTTI-UHFFFAOYSA-N 0 0 278.315 2.912 20 10 CFCDRN COc1ncc(C)cc1-c1cnc2ccn(C)c2c1 ZINC001241366466 780817174 /nfs/dbraw/zinc/81/71/74/780817174.db2.gz YRTLLMSQRZMBFG-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN COc1ncc(C)cc1-c1ccnc2c1ccn2C ZINC001241366765 780818867 /nfs/dbraw/zinc/81/88/67/780818867.db2.gz SVRGAAVHJZLTIO-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN CN(C)c1ccc(-c2ccnc3c2ccn3C)cn1 ZINC001241372755 780826799 /nfs/dbraw/zinc/82/67/99/780826799.db2.gz UWHZNOUVVUOKRY-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnc2cccnc2c1 ZINC001241381345 780836638 /nfs/dbraw/zinc/83/66/38/780836638.db2.gz SLOMSYCOKDOANB-UHFFFAOYSA-N 0 0 261.288 2.579 20 10 CFCDRN CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(N)cc1 ZINC000702105222 780877860 /nfs/dbraw/zinc/87/78/60/780877860.db2.gz XVARKEXCZGGYRD-TYNCELHUSA-N 0 0 256.349 2.834 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC1CC(O)C1 ZINC000702463458 780929786 /nfs/dbraw/zinc/92/97/86/780929786.db2.gz MPZAEDLBVRZVLZ-UHFFFAOYSA-N 0 0 290.190 2.950 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232526 780999988 /nfs/dbraw/zinc/99/99/88/780999988.db2.gz DLYYZTYQPSKWEI-LOKDSWTASA-N 0 0 271.307 2.572 20 10 CFCDRN CCC(CC)(CO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259185 781000582 /nfs/dbraw/zinc/00/05/82/781000582.db2.gz UEQLZAASHIDHJI-UHFFFAOYSA-N 0 0 273.323 2.559 20 10 CFCDRN CC(C)OCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703262777 781001270 /nfs/dbraw/zinc/00/12/70/781001270.db2.gz RTQSRFFZQRDBIZ-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCCS2)ccc(F)c1F ZINC000703255704 781004419 /nfs/dbraw/zinc/00/44/19/781004419.db2.gz HNGUSUYUNRWQIN-SECBINFHSA-N 0 0 259.321 2.656 20 10 CFCDRN CCC[C@H](CCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703254689 781004641 /nfs/dbraw/zinc/00/46/41/781004641.db2.gz CPHOZLVQUJTFGY-SNVBAGLBSA-N 0 0 273.323 2.559 20 10 CFCDRN [O-]c1c(C[NH2+]CC2SCCS2)ccc(F)c1F ZINC000703308281 781007200 /nfs/dbraw/zinc/00/72/00/781007200.db2.gz OMKCAYNOCNMSSB-UHFFFAOYSA-N 0 0 277.361 2.566 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000703307426 781007887 /nfs/dbraw/zinc/00/78/87/781007887.db2.gz INSRIJRUMMZQBX-KOLCDFICSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(C[NH2+]CCCOCC2CC2)ccc(F)c1F ZINC000703379382 781010786 /nfs/dbraw/zinc/01/07/86/781010786.db2.gz NVFQQIOLSZPTGA-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN CO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC000703380968 781012476 /nfs/dbraw/zinc/01/24/76/781012476.db2.gz SMMSNHYIBVRROP-MNOVXSKESA-N 0 0 271.307 2.574 20 10 CFCDRN COC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703480450 781015836 /nfs/dbraw/zinc/01/58/36/781015836.db2.gz BFWPBDVRDVTJKC-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCCO1 ZINC000703539769 781026357 /nfs/dbraw/zinc/02/63/57/781026357.db2.gz DATJMVVYPZMVRC-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)CO1 ZINC000703541269 781027299 /nfs/dbraw/zinc/02/72/99/781027299.db2.gz MRVFJDSYKMXGOG-ONGXEEELSA-N 0 0 271.307 2.670 20 10 CFCDRN COCC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837914 781142063 /nfs/dbraw/zinc/14/20/63/781142063.db2.gz YXNYWIGYRFUGGZ-GFCCVEGCSA-N 0 0 267.344 2.922 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc(N2CCC2)nc1 ZINC001241822534 781144394 /nfs/dbraw/zinc/14/43/94/781144394.db2.gz ZHIOERNZPQMOHM-UHFFFAOYSA-N 0 0 264.332 2.845 20 10 CFCDRN Cn1ccc2c1cccc2-c1ccc(S(C)(=O)=O)nc1 ZINC001241822138 781144637 /nfs/dbraw/zinc/14/46/37/781144637.db2.gz QRAKRLOJBASBAF-UHFFFAOYSA-N 0 0 286.356 2.644 20 10 CFCDRN Cn1ccc2c1cccc2-c1cccn2c(=O)ccnc12 ZINC001241822876 781144961 /nfs/dbraw/zinc/14/49/61/781144961.db2.gz REFRTWVQTQDIJV-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000706508510 781181370 /nfs/dbraw/zinc/18/13/70/781181370.db2.gz MZJWLYUMALMRRQ-MGCOHNPYSA-N 0 0 276.163 2.966 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnn(C4CC4)c3)cc21 ZINC001241911062 781176079 /nfs/dbraw/zinc/17/60/79/781176079.db2.gz BJSOGYSYRADFPR-UHFFFAOYSA-N 0 0 265.316 2.737 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]CCCCF ZINC000706830461 781204836 /nfs/dbraw/zinc/20/48/36/781204836.db2.gz XSSMMMLVAKARSR-UHFFFAOYSA-N 0 0 276.149 2.994 20 10 CFCDRN C[C@H](NCc1c(O)cccc1Br)C(F)F ZINC000706868866 781206855 /nfs/dbraw/zinc/20/68/55/781206855.db2.gz TVLYXHBGWQNJJI-LURJTMIESA-N 0 0 280.112 2.898 20 10 CFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCF ZINC000708139438 781266106 /nfs/dbraw/zinc/26/61/06/781266106.db2.gz RGYDMCCEDIGWOC-UHFFFAOYSA-N 0 0 282.540 2.867 20 10 CFCDRN CC(C)O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708382028 781271899 /nfs/dbraw/zinc/27/18/99/781271899.db2.gz DCPFDGHGDJJLLQ-GFCCVEGCSA-N 0 0 271.307 2.670 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000708393813 781272333 /nfs/dbraw/zinc/27/23/33/781272333.db2.gz IYSLPJICXZSTJY-UHFFFAOYSA-N 0 0 285.334 2.845 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC000708394407 781272417 /nfs/dbraw/zinc/27/24/17/781272417.db2.gz ZAYMDYAFXJRKDQ-CYBMUJFWSA-N 0 0 286.366 2.736 20 10 CFCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412512 781272826 /nfs/dbraw/zinc/27/28/26/781272826.db2.gz ICXLUSVDPBJMCM-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000708411604 781272871 /nfs/dbraw/zinc/27/28/71/781272871.db2.gz BLXOTQCSZVVGQY-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN COC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414350 781274028 /nfs/dbraw/zinc/27/40/28/781274028.db2.gz RGKGBAFONISKAI-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433480 781275164 /nfs/dbraw/zinc/27/51/64/781275164.db2.gz KFPFPOHZDCJRNJ-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN CCn1ccc(-c2cnn(Cc3cccs3)c2)cc1=O ZINC001242093500 781276797 /nfs/dbraw/zinc/27/67/97/781276797.db2.gz LIAMWAWBQLYLIR-UHFFFAOYSA-N 0 0 285.372 2.842 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000708695635 781277276 /nfs/dbraw/zinc/27/72/76/781277276.db2.gz CRHPONIMIAVHBN-AOOOYVTPSA-N 0 0 255.745 2.560 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000709028895 781287668 /nfs/dbraw/zinc/28/76/68/781287668.db2.gz ISNIJDIJMWPQRH-AWEZNQCLSA-N 0 0 269.772 2.902 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@@H](c3nccs3)C2)cc1 ZINC000710539950 781317222 /nfs/dbraw/zinc/31/72/22/781317222.db2.gz PTJUJCUHPVXGEK-SNVBAGLBSA-N 0 0 288.376 2.747 20 10 CFCDRN C[C@H]([NH2+]CCc1ccns1)c1ccc(F)cc1[O-] ZINC000710025139 781326399 /nfs/dbraw/zinc/32/63/99/781326399.db2.gz DMHOIHWSEZEEAE-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCC3)O2)ccc(F)c1F ZINC000711423409 781431282 /nfs/dbraw/zinc/43/12/82/781431282.db2.gz QLCOXGHWRHTUTF-LLVKDONJSA-N 0 0 283.318 2.862 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711434036 781432248 /nfs/dbraw/zinc/43/22/48/781432248.db2.gz YRRKHZWBJPGZGE-GFCCVEGCSA-N 0 0 283.318 2.862 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711498565 781446759 /nfs/dbraw/zinc/44/67/59/781446759.db2.gz QABRQSFMMKWBJR-SECBINFHSA-N 0 0 259.271 2.852 20 10 CFCDRN COc1ncc(-c2nc(C)nc3c2ccn3C)cc1C ZINC001242430730 781495776 /nfs/dbraw/zinc/49/57/76/781495776.db2.gz NREFPHWDLVJJHG-UHFFFAOYSA-N 0 0 268.320 2.656 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnn(C(C)C)c2)nn1 ZINC001242434300 781499899 /nfs/dbraw/zinc/49/98/99/781499899.db2.gz BFNJNRYGVIDXHN-UHFFFAOYSA-N 0 0 282.351 2.630 20 10 CFCDRN CCc1ncccc1-c1ncc(C(=O)OC)c2c1ccn2C ZINC001242521659 781562839 /nfs/dbraw/zinc/56/28/39/781562839.db2.gz WKORMGRKNFFENP-UHFFFAOYSA-N 0 0 295.342 2.984 20 10 CFCDRN CCc1ncccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001242522625 781563692 /nfs/dbraw/zinc/56/36/92/781563692.db2.gz AZANSNSDEVPCHP-UHFFFAOYSA-N 0 0 265.316 2.558 20 10 CFCDRN C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccccc1O ZINC001163935822 781613784 /nfs/dbraw/zinc/61/37/84/781613784.db2.gz IZTXAKVRLGRHSN-SSDOTTSWSA-N 0 0 264.716 2.591 20 10 CFCDRN Cc1oncc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001242603292 781633235 /nfs/dbraw/zinc/63/32/35/781633235.db2.gz WEPMALBLKVJGIG-UHFFFAOYSA-N 0 0 284.290 2.999 20 10 CFCDRN CCOc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001242659035 781677115 /nfs/dbraw/zinc/67/71/15/781677115.db2.gz ATLPZSGMANJAMT-UHFFFAOYSA-N 0 0 298.264 2.871 20 10 CFCDRN COc1ccc(-c2nnc(C)cc2-c2nccn2C)c(C)n1 ZINC001242926745 781848929 /nfs/dbraw/zinc/84/89/29/781848929.db2.gz SENRFXOQFIPRLB-UHFFFAOYSA-N 0 0 295.346 2.565 20 10 CFCDRN CSc1cncc(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001242948601 781864358 /nfs/dbraw/zinc/86/43/58/781864358.db2.gz BZQIKXYYGVBZJA-UHFFFAOYSA-N 0 0 297.387 2.969 20 10 CFCDRN COCc1cncc(-c2cnc3ccn(C)c3c2)c1 ZINC001242954301 781870807 /nfs/dbraw/zinc/87/08/07/781870807.db2.gz BRZMEORJJFNZPR-UHFFFAOYSA-N 0 0 253.305 2.782 20 10 CFCDRN C[C@H](CCCCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000295087707 199339087 /nfs/dbraw/zinc/33/90/87/199339087.db2.gz REXXYTUTASKAMT-SNVBAGLBSA-N 0 0 257.761 2.686 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc(C3CC3)on2)cc1 ZINC000026081727 346262650 /nfs/dbraw/zinc/26/26/50/346262650.db2.gz FZVBIXRJMVKQBI-UHFFFAOYSA-N 0 0 285.347 2.548 20 10 CFCDRN OCC1CCN(c2ccc(CNc3ccccn3)cc2)CC1 ZINC000052446522 346522220 /nfs/dbraw/zinc/52/22/20/346522220.db2.gz ODOGUXGNIVOULN-UHFFFAOYSA-N 0 0 297.402 2.902 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccco2)cc1 ZINC000060678866 346670820 /nfs/dbraw/zinc/67/08/20/346670820.db2.gz IKFKDGGVRZHSIW-UHFFFAOYSA-N 0 0 286.375 2.937 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)COC(C)C ZINC000066096067 346747373 /nfs/dbraw/zinc/74/73/73/346747373.db2.gz YPZMOVWWKDKIPF-UHFFFAOYSA-N 0 0 265.353 2.556 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC(C)(C)C)cc1 ZINC000076465669 347140097 /nfs/dbraw/zinc/14/00/97/347140097.db2.gz ZZOXLHVTVGBEFA-UHFFFAOYSA-N 0 0 263.385 2.598 20 10 CFCDRN CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000091506036 347591394 /nfs/dbraw/zinc/59/13/94/347591394.db2.gz PKZNPZICYUCDHY-UHFFFAOYSA-N 0 0 258.277 2.937 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCC2 ZINC000675335839 539861332 /nfs/dbraw/zinc/86/13/32/539861332.db2.gz VQKWFPLQNZRUIB-ZDUSSCGKSA-N 0 0 286.375 2.668 20 10 CFCDRN CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccccc1 ZINC000619964094 353089464 /nfs/dbraw/zinc/08/94/64/353089464.db2.gz PCTRCCPSTRUYIE-UHFFFAOYSA-N 0 0 292.342 2.759 20 10 CFCDRN CCN(C[C@@H](O)c1cccnc1)c1ccc(OC)cc1 ZINC000295704038 199627845 /nfs/dbraw/zinc/62/78/45/199627845.db2.gz QJLUSEFEEIUZPJ-MRXNPFEDSA-N 0 0 272.348 2.650 20 10 CFCDRN CC/C(C)=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295752196 199648959 /nfs/dbraw/zinc/64/89/59/199648959.db2.gz NYLGPTVLMQAROC-HUYFXPKMSA-N 0 0 263.337 2.501 20 10 CFCDRN Cc1nc(Cl)cc(NCCc2ccc(O)c(O)c2)n1 ZINC000301574124 540266624 /nfs/dbraw/zinc/26/66/24/540266624.db2.gz LRSMZONODDDPEU-UHFFFAOYSA-N 0 0 279.727 2.504 20 10 CFCDRN CCC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000297407437 200179636 /nfs/dbraw/zinc/17/96/36/200179636.db2.gz SWZMQWNHELFYJJ-ZYHUDNBSSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H]1OCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000126530274 291206012 /nfs/dbraw/zinc/20/60/12/291206012.db2.gz WLDMCNZQRSZEST-NWDGAFQWSA-N 0 0 266.360 2.501 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276919423 284021740 /nfs/dbraw/zinc/02/17/40/284021740.db2.gz MDTQHTPEFJHRGO-OTYXRUKQSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000276944159 299393698 /nfs/dbraw/zinc/39/36/98/299393698.db2.gz PYSSCLJBKCMRIB-JGVFFNPUSA-N 0 0 259.321 2.827 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CSC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283428942 299398211 /nfs/dbraw/zinc/39/82/11/299398211.db2.gz SDXCQDQFSUQUGM-QPUJVOFHSA-N 0 0 282.365 2.845 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000290128311 296153473 /nfs/dbraw/zinc/15/34/73/296153473.db2.gz JUEIOVSBWDUSGG-RNCFNFMXSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000296306992 296164306 /nfs/dbraw/zinc/16/43/06/296164306.db2.gz GEGZWUWUSMVINU-KCJUWKMLSA-N 0 0 271.307 2.889 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)nc2)c1 ZINC000019877830 372201594 /nfs/dbraw/zinc/20/15/94/372201594.db2.gz LELGBLFYBPMZOT-SNVBAGLBSA-N 0 0 274.320 2.978 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000036319469 372572032 /nfs/dbraw/zinc/57/20/32/372572032.db2.gz ZLJUZGROOSPLHW-UHFFFAOYSA-N 0 0 276.163 2.968 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H](C)c2ccco2)c(O)c1 ZINC000529229027 383689574 /nfs/dbraw/zinc/68/95/74/383689574.db2.gz QSWKJHYMYVABBG-NSHDSACASA-N 0 0 289.331 2.804 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C(F)(F)F ZINC000264079031 383693658 /nfs/dbraw/zinc/69/36/58/383693658.db2.gz MHHFCHLJCBHKHU-UHFFFAOYSA-N 0 0 261.243 2.693 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C\c1cncs1 ZINC000493518966 246612398 /nfs/dbraw/zinc/61/23/98/246612398.db2.gz HKSWZFJSLOFUTJ-ARJAWSKDSA-N 0 0 259.334 2.523 20 10 CFCDRN C/C(=C/c1nccn1CC(F)(F)F)c1cnccn1 ZINC000097098179 375516548 /nfs/dbraw/zinc/51/65/48/375516548.db2.gz WLCGRDLXBXPJRY-TWGQIWQCSA-N 0 0 268.242 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000124709565 377080618 /nfs/dbraw/zinc/08/06/18/377080618.db2.gz NEQKHSACOHCNNL-ZIAGYGMSSA-N 0 0 280.799 2.762 20 10 CFCDRN CS[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000125492050 377160905 /nfs/dbraw/zinc/16/09/05/377160905.db2.gz NHNLRVBTNPCQMC-LLVKDONJSA-N 0 0 294.420 2.620 20 10 CFCDRN COCCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125721420 377185706 /nfs/dbraw/zinc/18/57/06/377185706.db2.gz GNAVHAGMTFURLQ-UHFFFAOYSA-N 0 0 283.368 2.575 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H](C)O)cc1 ZINC000125921074 377202254 /nfs/dbraw/zinc/20/22/54/377202254.db2.gz XMLCZSGZXFTUBA-CQSZACIVSA-N 0 0 286.375 2.547 20 10 CFCDRN CN(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127928950 377307822 /nfs/dbraw/zinc/30/78/22/377307822.db2.gz OREKHSXKEMKLTA-UHFFFAOYSA-N 0 0 285.391 2.614 20 10 CFCDRN Cn1cncc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001243065121 781966937 /nfs/dbraw/zinc/96/69/37/781966937.db2.gz MRHZSRDITXVLJU-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCCc3cccc(F)c32)cnn1C ZINC000130238289 377525163 /nfs/dbraw/zinc/52/51/63/377525163.db2.gz HUSVDGBHSQGTLR-CMDGGOBGSA-N 0 0 299.349 2.860 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)o2)c(OC)c1 ZINC000131574569 377731644 /nfs/dbraw/zinc/73/16/44/377731644.db2.gz ACEBTXPWLFTPSA-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN COc1ccc(N(C)Cc2ccncc2)c(OC)c1 ZINC000131715715 377751938 /nfs/dbraw/zinc/75/19/38/377751938.db2.gz NDHQDWYQJIHFCX-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COc1cccc(CNC(=O)C2=CCCCCC2)c1O ZINC000131833522 377764803 /nfs/dbraw/zinc/76/48/03/377764803.db2.gz AFEFKQPYWIRNIL-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)noc2C)c(OC)c1 ZINC000131971623 377786367 /nfs/dbraw/zinc/78/63/67/377786367.db2.gz ZFHOAVLLBPBNMP-UHFFFAOYSA-N 0 0 276.336 2.945 20 10 CFCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC000133899127 377966122 /nfs/dbraw/zinc/96/61/22/377966122.db2.gz MPCFFVILBMFCNA-VIFPVBQESA-N 0 0 273.336 2.548 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCCCCC1 ZINC000154007875 378531165 /nfs/dbraw/zinc/53/11/65/378531165.db2.gz NXVHFWVRJXFZKY-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171809036 379408406 /nfs/dbraw/zinc/40/84/06/379408406.db2.gz ASHRFNDZSDIHKZ-ZDUSSCGKSA-N 0 0 277.412 2.940 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)O)cc1 ZINC000174829389 379947671 /nfs/dbraw/zinc/94/76/71/379947671.db2.gz YRZGKDSYQMFBMH-UHFFFAOYSA-N 0 0 286.375 2.595 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)Cc2ccccc2O)nn1C ZINC000175311457 380041156 /nfs/dbraw/zinc/04/11/56/380041156.db2.gz SHZTWFMGWXPQQR-UHFFFAOYSA-N 0 0 287.363 2.521 20 10 CFCDRN Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)c(C)s1 ZINC000178977299 380498093 /nfs/dbraw/zinc/49/80/93/380498093.db2.gz HSUBWIGDAYSSMX-UHFFFAOYSA-N 0 0 289.404 2.756 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(Cl)n2C)c(OC)c1 ZINC000179003558 380500352 /nfs/dbraw/zinc/50/03/52/380500352.db2.gz JNIPLAGAIYRZME-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccncc2)c(O)c1O ZINC000179460417 380546201 /nfs/dbraw/zinc/54/62/01/380546201.db2.gz MHUGHVIUFVOWRN-LLVKDONJSA-N 0 0 286.331 2.634 20 10 CFCDRN CC[C@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000179490951 380548942 /nfs/dbraw/zinc/54/89/42/380548942.db2.gz BWRLMJNFLCKJLG-VIFPVBQESA-N 0 0 251.326 2.524 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000179780300 380580117 /nfs/dbraw/zinc/58/01/17/380580117.db2.gz DJIYJDWQXPORRT-GFCCVEGCSA-N 0 0 287.363 2.504 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCS1 ZINC000180312584 380645089 /nfs/dbraw/zinc/64/50/89/380645089.db2.gz IXKGNQGVURNZJA-CYBMUJFWSA-N 0 0 267.394 2.728 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179859622 380587462 /nfs/dbraw/zinc/58/74/62/380587462.db2.gz YHFGBXCTRGTZEZ-OAHLLOKOSA-N 0 0 274.408 2.898 20 10 CFCDRN CC(C)(C)c1cnc(SCC2OCCO2)s1 ZINC000179910093 380595688 /nfs/dbraw/zinc/59/56/88/380595688.db2.gz HFFWWQGRYRCISZ-UHFFFAOYSA-N 0 0 259.396 2.906 20 10 CFCDRN CCOC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180158964 380625668 /nfs/dbraw/zinc/62/56/68/380625668.db2.gz BJFOCRIEHDGYNN-LBPRGKRZSA-N 0 0 267.344 2.780 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccon1 ZINC000180489627 380667362 /nfs/dbraw/zinc/66/73/62/380667362.db2.gz POIHUTZLIKIOTC-UHFFFAOYSA-N 0 0 275.308 2.824 20 10 CFCDRN Cc1nc(C2(NCc3cc(F)ccc3O)CCCC2)no1 ZINC000180598782 380681601 /nfs/dbraw/zinc/68/16/01/380681601.db2.gz CGQHJPCOCLKEEE-UHFFFAOYSA-N 0 0 291.326 2.782 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000180640591 380684374 /nfs/dbraw/zinc/68/43/74/380684374.db2.gz DCZRMEJQSJJWJH-OAHLLOKOSA-N 0 0 285.391 2.944 20 10 CFCDRN COc1ccc(O)c(CN2CCO[C@@H](c3ccco3)C2)c1 ZINC000180628782 380684719 /nfs/dbraw/zinc/68/47/19/380684719.db2.gz PCTQVYYFRKJXLB-MRXNPFEDSA-N 0 0 289.331 2.567 20 10 CFCDRN CCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000181155676 380749571 /nfs/dbraw/zinc/74/95/71/380749571.db2.gz KHWWHTWCGWOBSN-FNORWQNLSA-N 0 0 261.321 2.560 20 10 CFCDRN COc1nnc(NCc2c(C)c3ccccc3n2C)s1 ZINC000287868128 380960354 /nfs/dbraw/zinc/96/03/54/380960354.db2.gz YGQAVPLELXHSSZ-UHFFFAOYSA-N 0 0 288.376 2.959 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOC2)cc1 ZINC000288304530 381009883 /nfs/dbraw/zinc/00/98/83/381009883.db2.gz CCNUZXKAPLQJQJ-UHFFFAOYSA-N 0 0 284.359 2.914 20 10 CFCDRN CCCC[N@H+](CCCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000182163612 381007712 /nfs/dbraw/zinc/00/77/12/381007712.db2.gz DQBORLQAOMYYOM-UHFFFAOYSA-N 0 0 297.370 2.718 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C)c2nccs2)c(O)c1O ZINC000182459083 381091931 /nfs/dbraw/zinc/09/19/31/381091931.db2.gz LBKDTKQFFKKSPI-UHFFFAOYSA-N 0 0 292.360 2.528 20 10 CFCDRN CC(C)c1ncc(C(=O)NCc2ccc(O)c(O)c2)s1 ZINC000182512915 381103500 /nfs/dbraw/zinc/10/35/00/381103500.db2.gz VMFFBYZKEPKZOR-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182550193 381112005 /nfs/dbraw/zinc/11/20/05/381112005.db2.gz OMGQBTNRTNBLLX-LLVKDONJSA-N 0 0 277.364 2.930 20 10 CFCDRN CCN1C(=O)/C(=C\c2ncc(C)s2)SC1=S ZINC000295870466 381126018 /nfs/dbraw/zinc/12/60/18/381126018.db2.gz JSTIPVDERKTOEA-QPJJXVBHSA-N 0 0 270.404 2.673 20 10 CFCDRN CO[C@@H](C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182997539 381195166 /nfs/dbraw/zinc/19/51/66/381195166.db2.gz MFEVJZDYEWNHNF-ZDUSSCGKSA-N 0 0 278.396 2.526 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296508306 381426485 /nfs/dbraw/zinc/42/64/85/381426485.db2.gz PJZOQEQSJYBMQB-IUCAKERBSA-N 0 0 273.323 2.871 20 10 CFCDRN CC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184677270 381457939 /nfs/dbraw/zinc/45/79/39/381457939.db2.gz CQQKLRVMCFMMQH-LBPRGKRZSA-N 0 0 285.771 2.665 20 10 CFCDRN C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185266957 381581823 /nfs/dbraw/zinc/58/18/23/381581823.db2.gz CKFLYKTVDSEPID-SNVBAGLBSA-N 0 0 298.358 2.707 20 10 CFCDRN CC(C)(C)c1ncsc1C(=O)NCc1ccc(N)cc1 ZINC000297262827 381554405 /nfs/dbraw/zinc/55/44/05/381554405.db2.gz RTDWTFVGIZMJLH-UHFFFAOYSA-N 0 0 289.404 2.953 20 10 CFCDRN C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000185313078 381593428 /nfs/dbraw/zinc/59/34/28/381593428.db2.gz DGQQANNROKCRIK-NSHDSACASA-N 0 0 277.343 2.548 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185370169 381616115 /nfs/dbraw/zinc/61/61/15/381616115.db2.gz SUYRLOOGDOQREQ-SWLSCSKDSA-N 0 0 289.350 2.786 20 10 CFCDRN CCOCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348632243 381648463 /nfs/dbraw/zinc/64/84/63/381648463.db2.gz CTYFLPGGKPHBOZ-UHFFFAOYSA-N 0 0 274.364 2.530 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000185534438 381659847 /nfs/dbraw/zinc/65/98/47/381659847.db2.gz ATLVMPVEZNDCAB-HLHNXRDNSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000185534399 381660141 /nfs/dbraw/zinc/66/01/41/381660141.db2.gz ATLVMPVEZNDCAB-GGZSPTBLSA-N 0 0 279.355 2.995 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000359908424 381672913 /nfs/dbraw/zinc/67/29/13/381672913.db2.gz XXQOIXMZXJGVJY-LBPRGKRZSA-N 0 0 287.338 2.701 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)ccc1O ZINC000185638463 381690145 /nfs/dbraw/zinc/69/01/45/381690145.db2.gz PIUWLDVPJHJJJX-ZANVPECISA-N 0 0 287.812 2.564 20 10 CFCDRN CCO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298998852 381796117 /nfs/dbraw/zinc/79/61/17/381796117.db2.gz MEAVOSSOLRPCQW-ZDUSSCGKSA-N 0 0 290.407 2.669 20 10 CFCDRN C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000292865145 381872673 /nfs/dbraw/zinc/87/26/73/381872673.db2.gz VRSOUTMLYOPBFF-OAHLLOKOSA-N 0 0 280.799 2.573 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccccc1 ZINC000186392931 381900128 /nfs/dbraw/zinc/90/01/28/381900128.db2.gz IPJWCFPVKSBTNM-OLZOCXBDSA-N 0 0 299.370 2.949 20 10 CFCDRN Cc1noc(C)c1C(=O)CSc1nccs1 ZINC000186595556 381960590 /nfs/dbraw/zinc/96/05/90/381960590.db2.gz UKQMJAMHPIHTHV-UHFFFAOYSA-N 0 0 254.336 2.723 20 10 CFCDRN COc1cccc(CN[C@H]2COc3cccc(F)c32)c1O ZINC000373282057 381967003 /nfs/dbraw/zinc/96/70/03/381967003.db2.gz BORMAFHQZGAGBX-LBPRGKRZSA-N 0 0 289.306 2.763 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC12CCC2 ZINC000373131908 381935411 /nfs/dbraw/zinc/93/54/11/381935411.db2.gz UASBSIUOQRDBIG-GQCTYLIASA-N 0 0 273.332 2.656 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cccc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000373370800 381988614 /nfs/dbraw/zinc/98/86/14/381988614.db2.gz RZAKWKFUACNGTJ-HZPDHXFCSA-N 0 0 279.355 2.826 20 10 CFCDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375298179 382075662 /nfs/dbraw/zinc/07/56/62/382075662.db2.gz ACJPPGPMCUGXKU-HNNXBMFYSA-N 0 0 279.355 2.922 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)co1 ZINC000187258638 382141443 /nfs/dbraw/zinc/14/14/43/382141443.db2.gz WWSRBICKDIHGGN-UHFFFAOYSA-N 0 0 258.321 2.584 20 10 CFCDRN CN(Cc1cnn(CC(F)F)c1)c1ccc2c(c1)OCO2 ZINC000293620723 382199241 /nfs/dbraw/zinc/19/92/41/382199241.db2.gz MLRBDIYAGSZQPD-UHFFFAOYSA-N 0 0 295.289 2.513 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)c2cccc(O)c2O)CC12CCC2 ZINC000293657733 382218707 /nfs/dbraw/zinc/21/87/07/382218707.db2.gz MFTBNHQHQVFULW-AWEZNQCLSA-N 0 0 275.348 2.749 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000293785947 382278090 /nfs/dbraw/zinc/27/80/90/382278090.db2.gz WZWRTDYDOMIYOW-SNVBAGLBSA-N 0 0 257.761 2.950 20 10 CFCDRN Cc1ccncc1C1=CCN(c2ccnc(C)n2)CC1 ZINC000363823447 382247743 /nfs/dbraw/zinc/24/77/43/382247743.db2.gz NZUXTTOTOCKMGA-UHFFFAOYSA-N 0 0 266.348 2.782 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000293725788 382253104 /nfs/dbraw/zinc/25/31/04/382253104.db2.gz OBLBWIFVDLTQGF-HIFRSBDPSA-N 0 0 267.344 2.997 20 10 CFCDRN C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293765122 382268953 /nfs/dbraw/zinc/26/89/53/382268953.db2.gz ZJEIJXGXYPSBEI-UHFFFAOYSA-N 0 0 284.762 2.536 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000293774990 382274243 /nfs/dbraw/zinc/27/42/43/382274243.db2.gz SUIGMPFPXZTCSH-UHFFFAOYSA-N 0 0 263.337 2.540 20 10 CFCDRN COc1cccc(CNC(=O)CC(C)(C)C2CC2)c1O ZINC000293853742 382306380 /nfs/dbraw/zinc/30/63/80/382306380.db2.gz ZCABAMXBIRUCPA-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000188036066 382330230 /nfs/dbraw/zinc/33/02/30/382330230.db2.gz HTJNDDJQPPZGNI-MISXGVKJSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000188036118 382330806 /nfs/dbraw/zinc/33/08/06/382330806.db2.gz HTJNDDJQPPZGNI-WDMOLILDSA-N 0 0 267.344 2.733 20 10 CFCDRN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293835439 382297757 /nfs/dbraw/zinc/29/77/57/382297757.db2.gz GTIFHVUKAQOJTG-SFYZADRCSA-N 0 0 261.724 2.698 20 10 CFCDRN Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377890501 382366027 /nfs/dbraw/zinc/36/60/27/382366027.db2.gz VWADLTFEXSTLHF-LBPRGKRZSA-N 0 0 291.782 2.769 20 10 CFCDRN Cc1ccc(O)c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000294025094 382382669 /nfs/dbraw/zinc/38/26/69/382382669.db2.gz NTWLQPXLXWZQKQ-QGZVFWFLSA-N 0 0 277.408 2.931 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1nccs1 ZINC000365754753 382437312 /nfs/dbraw/zinc/43/73/12/382437312.db2.gz UHXATZBUJOYAFR-JTQLQIEISA-N 0 0 290.344 2.532 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](CO)c3ccccc32)c1 ZINC000294094560 382412916 /nfs/dbraw/zinc/41/29/16/382412916.db2.gz ZVGYMAORVQQHTG-CQSZACIVSA-N 0 0 269.344 2.797 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000294223440 382467013 /nfs/dbraw/zinc/46/70/13/382467013.db2.gz LZZYSVKYFMOKOC-KBPBESRZSA-N 0 0 298.789 2.901 20 10 CFCDRN CCOC(=O)C1(C)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000378544501 382482489 /nfs/dbraw/zinc/48/24/89/382482489.db2.gz SQIVUOOJEYYGFB-UHFFFAOYSA-N 0 0 295.354 2.697 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188818534 382484390 /nfs/dbraw/zinc/48/43/90/382484390.db2.gz HYRPBLLYEVYXMC-KCJUWKMLSA-N 0 0 290.190 2.950 20 10 CFCDRN CO[C@H](C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294303008 382501594 /nfs/dbraw/zinc/50/15/94/382501594.db2.gz QCGCCGSJBUKREG-MRVPVSSYSA-N 0 0 261.724 2.699 20 10 CFCDRN COC(=O)c1cnc(SCCn2nc(C)cc2C)s1 ZINC000294906063 382543415 /nfs/dbraw/zinc/54/34/15/382543415.db2.gz AYQPYSPSALXQPD-UHFFFAOYSA-N 0 0 297.405 2.535 20 10 CFCDRN CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000367306940 382563761 /nfs/dbraw/zinc/56/37/61/382563761.db2.gz BTEZHUVYAJGBDY-BNOWGMLFSA-N 0 0 277.364 2.584 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn2c1CCC2 ZINC000294821076 382531449 /nfs/dbraw/zinc/53/14/49/382531449.db2.gz GSKONLBCGNTENN-UHFFFAOYSA-N 0 0 299.374 2.587 20 10 CFCDRN CCn1cc([C@@H](C)[NH2+]Cc2cccc(F)c2[O-])cn1 ZINC000294834070 382533976 /nfs/dbraw/zinc/53/39/76/382533976.db2.gz LUPRVVYTRXNSPW-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN COC(=O)c1cnc(SCCCSC)s1 ZINC000295260228 382601792 /nfs/dbraw/zinc/60/17/92/382601792.db2.gz IKWUJIXFYNYMBZ-UHFFFAOYSA-N 0 0 263.409 2.775 20 10 CFCDRN COCCCCCSc1ncc(C(=O)OC)s1 ZINC000295301420 382611626 /nfs/dbraw/zinc/61/16/26/382611626.db2.gz MGENQZZHPMUPLA-UHFFFAOYSA-N 0 0 275.395 2.839 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000190306762 382661707 /nfs/dbraw/zinc/66/17/07/382661707.db2.gz WBIMPVKPYYOZPG-MFKMUULPSA-N 0 0 269.772 2.686 20 10 CFCDRN CC[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190708063 382678709 /nfs/dbraw/zinc/67/87/09/382678709.db2.gz XNZBEHBSLFVKMB-LLVKDONJSA-N 0 0 266.360 2.944 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCS[C@H]2CCCC[C@H]21 ZINC000193130443 382716277 /nfs/dbraw/zinc/71/62/77/382716277.db2.gz FYVBZUPMVKFQGP-YPMHNXCESA-N 0 0 293.388 2.598 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(OC)c1)c1cccnc1C ZINC000493736022 382889431 /nfs/dbraw/zinc/88/94/31/382889431.db2.gz DJDCZFGVDSGUKU-BQYQJAHWSA-N 0 0 297.358 2.860 20 10 CFCDRN C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2O)[C@H]1C1CC1 ZINC000528823053 383647963 /nfs/dbraw/zinc/64/79/63/383647963.db2.gz FNZJVDVIAJHVAL-VQISRLSMSA-N 0 0 259.349 2.643 20 10 CFCDRN O=C(NCC[C@H]1CC=CCC1)c1c(F)ccc(O)c1O ZINC000530275749 383769788 /nfs/dbraw/zinc/76/97/88/383769788.db2.gz XDQHFHGKVVEGTF-JTQLQIEISA-N 0 0 279.311 2.713 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000266510066 384189533 /nfs/dbraw/zinc/18/95/33/384189533.db2.gz MAJATUMFURANGS-HZPDHXFCSA-N 0 0 296.370 2.823 20 10 CFCDRN c1cc(N2CCCC2)ccc1OCCC1OCCCO1 ZINC000268445213 384620613 /nfs/dbraw/zinc/62/06/13/384620613.db2.gz DTGVAOSZLZZLAY-UHFFFAOYSA-N 0 0 277.364 2.819 20 10 CFCDRN Cc1ncsc1CCN(C)c1ccc2c(c1)OCO2 ZINC000270335469 385060490 /nfs/dbraw/zinc/06/04/90/385060490.db2.gz MQBONEKIGRMXME-UHFFFAOYSA-N 0 0 276.361 2.859 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC000270410869 385093879 /nfs/dbraw/zinc/09/38/79/385093879.db2.gz XZYCPAOQDFGBBS-OAHLLOKOSA-N 0 0 298.386 2.549 20 10 CFCDRN CCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271020260 385304855 /nfs/dbraw/zinc/30/48/55/385304855.db2.gz BPZCXFLLCYMJAS-UHFFFAOYSA-N 0 0 278.179 2.903 20 10 CFCDRN CCCC[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000282485129 385324130 /nfs/dbraw/zinc/32/41/30/385324130.db2.gz MPRQECBLSHPLKQ-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000282293361 385273813 /nfs/dbraw/zinc/27/38/13/385273813.db2.gz FQYABTXYJSYMSD-DVOMOZLQSA-N 0 0 291.391 2.944 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282390060 385299036 /nfs/dbraw/zinc/29/90/36/385299036.db2.gz RCUUKPCZMPFTOP-TZMCWYRMSA-N 0 0 279.380 2.790 20 10 CFCDRN CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000282677818 385367654 /nfs/dbraw/zinc/36/76/54/385367654.db2.gz IBIBXIVRPFKXFW-UHFFFAOYSA-N 0 0 294.786 2.682 20 10 CFCDRN CCCCN(CC(=O)OCC)Cc1ccccc1O ZINC000282500313 385326810 /nfs/dbraw/zinc/32/68/10/385326810.db2.gz QUGWBFBAYOTNLF-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(F)(F)F ZINC000271768551 385391613 /nfs/dbraw/zinc/39/16/13/385391613.db2.gz BAFSEGBMQRVYGY-MWLCHTKSSA-N 0 0 297.704 2.837 20 10 CFCDRN CCOc1ccc(N(CC)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000283608483 385480338 /nfs/dbraw/zinc/48/03/38/385480338.db2.gz ZETOPQWOIRETLN-BJMVGYQFSA-N 0 0 285.347 2.875 20 10 CFCDRN CN(Cc1nccs1)Cc1cccc(F)c1O ZINC000272238987 385484797 /nfs/dbraw/zinc/48/47/97/385484797.db2.gz GBNNGYCZZMRIPJ-UHFFFAOYSA-N 0 0 252.314 2.620 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C(=O)C=Cc1c[nH]cn1 ZINC000284575574 385549891 /nfs/dbraw/zinc/54/98/91/385549891.db2.gz ZFIGIDHGPBGHIC-VMPITWQZSA-N 0 0 297.358 2.801 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCCCF ZINC000285477291 385555717 /nfs/dbraw/zinc/55/57/17/385555717.db2.gz CKIMUNCDQSSJAT-UHFFFAOYSA-N 0 0 252.333 2.701 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000285530878 385556366 /nfs/dbraw/zinc/55/63/66/385556366.db2.gz BPTJZGOWVDEROM-IHRRRGAJSA-N 0 0 267.344 2.876 20 10 CFCDRN CCOC1(C(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000285843445 385557797 /nfs/dbraw/zinc/55/77/97/385557797.db2.gz YPTXQPKTPIUXIS-UHFFFAOYSA-N 0 0 277.364 2.700 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000285996490 385558766 /nfs/dbraw/zinc/55/87/66/385558766.db2.gz IIORXSCAIIBSKO-MFKMUULPSA-N 0 0 254.349 2.522 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)c1ccc(F)cc1[O-] ZINC000286031065 385559504 /nfs/dbraw/zinc/55/95/04/385559504.db2.gz JGDXLVQXLDQQMC-WSHAHDTKSA-N 0 0 287.400 2.729 20 10 CFCDRN CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286084984 385559800 /nfs/dbraw/zinc/55/98/00/385559800.db2.gz MNBNBFIPARVWFM-YPMHNXCESA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1ccc(F)cc1[O-] ZINC000286193443 385569597 /nfs/dbraw/zinc/56/95/97/385569597.db2.gz QXBNNHPVSNQOKO-ZIAGYGMSSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000286250827 385577756 /nfs/dbraw/zinc/57/77/56/385577756.db2.gz UIPPHDFIVRVIMG-ZWNOBZJWSA-N 0 0 255.333 2.997 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOC(C)C)c1 ZINC000273385984 385680807 /nfs/dbraw/zinc/68/08/07/385680807.db2.gz JJQRRRBXYLTDAN-GFCCVEGCSA-N 0 0 295.379 2.645 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccccn2)cc1F ZINC000273390580 385681444 /nfs/dbraw/zinc/68/14/44/385681444.db2.gz JONQQXXSTAWDJG-UHFFFAOYSA-N 0 0 273.355 2.919 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CSC)c1 ZINC000273467025 385684392 /nfs/dbraw/zinc/68/43/92/385684392.db2.gz DWSIFGUAJKPBJU-ZJUUUORDSA-N 0 0 283.393 2.581 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000273462255 385684955 /nfs/dbraw/zinc/68/49/55/385684955.db2.gz CYNALVPNEKYPMB-ZETOZRRWSA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000273496052 385686029 /nfs/dbraw/zinc/68/60/29/385686029.db2.gz PBLFQZZTJISEJK-NOZJJQNGSA-N 0 0 275.327 2.983 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000273554480 385688058 /nfs/dbraw/zinc/68/80/58/385688058.db2.gz GOWZWLAEUFTVJP-ABAIWWIYSA-N 0 0 298.427 2.619 20 10 CFCDRN COCCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273582445 385689535 /nfs/dbraw/zinc/68/95/35/385689535.db2.gz MZBQARNCCNVSKQ-LLVKDONJSA-N 0 0 282.340 2.768 20 10 CFCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593445 385689701 /nfs/dbraw/zinc/68/97/01/385689701.db2.gz PXHJPRSPHXMCSK-NSHDSACASA-N 0 0 296.367 2.750 20 10 CFCDRN CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273598662 385690930 /nfs/dbraw/zinc/69/09/30/385690930.db2.gz RJSIHLIZPJIQDV-VXGBXAGGSA-N 0 0 295.383 2.681 20 10 CFCDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273598654 385691318 /nfs/dbraw/zinc/69/13/18/385691318.db2.gz RJSIHLIZPJIQDV-NEPJUHHUSA-N 0 0 295.383 2.681 20 10 CFCDRN COCC(C)(C)CCCNC(=O)NCc1ccccc1O ZINC000286956511 385749514 /nfs/dbraw/zinc/74/95/14/385749514.db2.gz MYPMGQRYFCSKMM-UHFFFAOYSA-N 0 0 294.395 2.644 20 10 CFCDRN Cc1cc2c(NCc3ccc(N(C)C)cc3)nccn2n1 ZINC000274647137 385840933 /nfs/dbraw/zinc/84/09/33/385840933.db2.gz GNZNQPRBOVRSKJ-UHFFFAOYSA-N 0 0 281.363 2.716 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](C3CC3)C2)cc1OC ZINC000372391929 393448081 /nfs/dbraw/zinc/44/80/81/393448081.db2.gz QBFIFLIUXGSQLD-LBPRGKRZSA-N 0 0 277.364 2.641 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3C[C@@H]4CCC[C@@H]4C3)ccc21 ZINC000372445594 393449963 /nfs/dbraw/zinc/44/99/63/393449963.db2.gz HBGMUEIRMSHQIP-IYBDPMFKSA-N 0 0 299.418 2.620 20 10 CFCDRN CCOC(=O)CN(Cc1cccc(OCC)c1O)C(C)C ZINC000179424662 393466909 /nfs/dbraw/zinc/46/69/09/393466909.db2.gz OHKGLQLQXLNNKF-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1C ZINC000301835413 393478473 /nfs/dbraw/zinc/47/84/73/393478473.db2.gz WJTVIFJUWIXOIC-UHFFFAOYSA-N 0 0 299.374 2.855 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000186085973 393540307 /nfs/dbraw/zinc/54/03/07/393540307.db2.gz YZPFWBTYUSQOGI-CMPLNLGQSA-N 0 0 294.370 2.581 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC000190683770 393583870 /nfs/dbraw/zinc/58/38/70/393583870.db2.gz QMXXGYBGMGHFEC-SNVBAGLBSA-N 0 0 255.358 2.859 20 10 CFCDRN CC(C)c1nc(CN(C)Cc2ccccc2O)no1 ZINC000109773830 393879670 /nfs/dbraw/zinc/87/96/70/393879670.db2.gz ZPEMIAKRXFBKNB-UHFFFAOYSA-N 0 0 261.325 2.531 20 10 CFCDRN CN(Cc1noc(C(C)(C)C)n1)Cc1ccccc1O ZINC000109769057 393879802 /nfs/dbraw/zinc/87/98/02/393879802.db2.gz HRCURYZXIGJOIC-UHFFFAOYSA-N 0 0 275.352 2.705 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000109543654 393879815 /nfs/dbraw/zinc/87/98/15/393879815.db2.gz VJBVHFUEEOPQPR-JTQLQIEISA-N 0 0 276.163 2.968 20 10 CFCDRN CCOc1ccc(O)c(CN(C)Cc2cscn2)c1 ZINC000120256304 393931880 /nfs/dbraw/zinc/93/18/80/393931880.db2.gz AFVWBMVDRQTSFK-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348635341 393955921 /nfs/dbraw/zinc/95/59/21/393955921.db2.gz RIGVWQGDHRZGCO-GFCCVEGCSA-N 0 0 288.391 2.918 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)C(F)(F)F)cc1Cl ZINC000121476704 393956601 /nfs/dbraw/zinc/95/66/01/393956601.db2.gz OZOCSTVWBJWWIS-SNVBAGLBSA-N 0 0 283.677 2.708 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000492499388 394069516 /nfs/dbraw/zinc/06/95/16/394069516.db2.gz GCKIXONSWXAZEZ-YHYXMXQVSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492563583 394071175 /nfs/dbraw/zinc/07/11/75/394071175.db2.gz JCZWSCBIHKPTLP-FPLPWBNLSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ncccc2C)s1 ZINC000492668306 394074271 /nfs/dbraw/zinc/07/42/71/394074271.db2.gz BPBUUXINYVEKEG-SREVYHEPSA-N 0 0 273.361 2.831 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCOCc2ccccc21 ZINC000492733927 394075560 /nfs/dbraw/zinc/07/55/60/394075560.db2.gz ISGZWDVZPZJRET-BQYQJAHWSA-N 0 0 280.327 2.658 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000492807345 394077610 /nfs/dbraw/zinc/07/76/10/394077610.db2.gz MCOPUIFJGRATQY-XHPSBEMXSA-N 0 0 294.354 2.526 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC(F)(F)C1 ZINC000281922859 394094521 /nfs/dbraw/zinc/09/45/21/394094521.db2.gz VPUFKLCRXRXXEE-FWEMWIAWSA-N 0 0 297.301 2.663 20 10 CFCDRN CSc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000492905139 394094864 /nfs/dbraw/zinc/09/48/64/394094864.db2.gz YREQQCZHPDIHLD-FPYGCLRLSA-N 0 0 273.361 2.808 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1ccc(F)cc1[O-] ZINC000285529314 394143840 /nfs/dbraw/zinc/14/38/40/394143840.db2.gz BPDGDGNDFUUJJH-ZIAGYGMSSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C)CO)c1cccc(Cl)c1[O-] ZINC000287850849 394209668 /nfs/dbraw/zinc/20/96/68/394209668.db2.gz WTTALXHHSQECHP-BXKDBHETSA-N 0 0 257.761 2.715 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccc(F)n1 ZINC000493565199 394279115 /nfs/dbraw/zinc/27/91/15/394279115.db2.gz WUAZPPXHDJFCLN-VOTSOKGWSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(C)cn2)s1 ZINC000493835835 394326855 /nfs/dbraw/zinc/32/68/55/394326855.db2.gz KPMXROMIKFIYOQ-FNORWQNLSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000173206499 394375504 /nfs/dbraw/zinc/37/55/04/394375504.db2.gz OXFMUCCKCUREQK-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN c1cc(N2CCCCC2)ccc1CN1CCOCC1 ZINC000082713028 135009178 /nfs/dbraw/zinc/00/91/78/135009178.db2.gz CPRJEPCXUXVGHY-UHFFFAOYSA-N 0 0 260.381 2.509 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cncc(F)c1 ZINC000171479803 335066877 /nfs/dbraw/zinc/06/68/77/335066877.db2.gz WMFOTIQDCQFMAA-GORDUTHDSA-N 0 0 298.317 2.832 20 10 CFCDRN CCOCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179400 286070364 /nfs/dbraw/zinc/07/03/64/286070364.db2.gz PLWBRMIHZHYJFP-VIFPVBQESA-N 0 0 259.296 2.748 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271785210 304844297 /nfs/dbraw/zinc/84/42/97/304844297.db2.gz FIGWUAXOVQGQGC-GFCCVEGCSA-N 0 0 297.782 2.821 20 10 CFCDRN COC[C@@H](COc1ccc2c(c1)c(C)c(C)n2C)OC ZINC000664097993 413565819 /nfs/dbraw/zinc/56/58/19/413565819.db2.gz IAFJXQCSDGHTQZ-AWEZNQCLSA-N 0 0 277.364 2.835 20 10 CFCDRN C[C@@H]1CCC[C@H](C)N(C(=O)Cc2ccc(N)cc2)C1 ZINC000237603283 287438278 /nfs/dbraw/zinc/43/82/78/287438278.db2.gz FRKLZDREXHIPSO-OLZOCXBDSA-N 0 0 260.381 2.848 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000037323142 260159856 /nfs/dbraw/zinc/15/98/56/260159856.db2.gz JNLMUNJDIPLUGU-UHFFFAOYSA-N 0 0 253.317 2.822 20 10 CFCDRN CCO[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152485312 261064822 /nfs/dbraw/zinc/06/48/22/261064822.db2.gz UFPAAVSSJOXQBA-QGZVFWFLSA-N 0 0 298.386 2.705 20 10 CFCDRN CCCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000171719816 261479015 /nfs/dbraw/zinc/47/90/15/261479015.db2.gz MFKLBCVXVKIFSJ-UHFFFAOYSA-N 0 0 275.396 2.837 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000185191504 262045158 /nfs/dbraw/zinc/04/51/58/262045158.db2.gz ZCWWRJUKTBXIRQ-CHWSQXEVSA-N 0 0 278.371 2.800 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000185191488 262045423 /nfs/dbraw/zinc/04/54/23/262045423.db2.gz ZCWWRJUKTBXIRQ-QWHCGFSZSA-N 0 0 278.371 2.800 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NOC(C)C)cc1F ZINC000296578280 263193336 /nfs/dbraw/zinc/19/33/36/263193336.db2.gz HXFQYKMPPYPRGO-UHFFFAOYSA-N 0 0 297.374 2.811 20 10 CFCDRN Cc1cc(O)c(CNc2cccc3c2OCC(=O)N3)cc1C ZINC000368073026 267144708 /nfs/dbraw/zinc/14/47/08/267144708.db2.gz QNZVIQKEVKZFGY-UHFFFAOYSA-N 0 0 298.342 2.952 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369394126 267240732 /nfs/dbraw/zinc/24/07/32/267240732.db2.gz ZGLLVJITUCPGCY-CQSZACIVSA-N 0 0 288.322 2.580 20 10 CFCDRN O=C(Nc1cccc2c1OCCC2)c1cccc(O)c1O ZINC000370032634 267284993 /nfs/dbraw/zinc/28/49/93/267284993.db2.gz LTLNZZCNROPANB-UHFFFAOYSA-N 0 0 285.299 2.675 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCC[C@H]1c1ncon1 ZINC000371380955 267397403 /nfs/dbraw/zinc/39/74/03/267397403.db2.gz BZTMTNGFJKARRM-NSHDSACASA-N 0 0 279.727 2.766 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000375317622 267847539 /nfs/dbraw/zinc/84/75/39/267847539.db2.gz GUQMXIQVQNFYPG-UHFFFAOYSA-N 0 0 279.355 2.924 20 10 CFCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000827805787 782045571 /nfs/dbraw/zinc/04/55/71/782045571.db2.gz WMSBHDXRZGGWCA-RYUDHWBXSA-N 0 0 277.364 2.930 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744922 276174410 /nfs/dbraw/zinc/17/44/10/276174410.db2.gz NIAJWIUCUCSRRX-WCQYABFASA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H]([NH2+]CCCC(=O)NC)c1cccc(Cl)c1[O-] ZINC000287697895 288039360 /nfs/dbraw/zinc/03/93/60/288039360.db2.gz NNBHZSWANXZXBP-LBPRGKRZSA-N 0 0 284.787 2.613 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000287882940 288043922 /nfs/dbraw/zinc/04/39/22/288043922.db2.gz YOWNZVFLBVJUGJ-GWCFXTLKSA-N 0 0 287.787 2.748 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1nncn1C)c1cccc(Cl)c1[O-] ZINC000287789039 288084272 /nfs/dbraw/zinc/08/42/72/288084272.db2.gz SRHFQZKOFHDSEQ-SKDRFNHKSA-N 0 0 294.786 2.976 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191215823 279174281 /nfs/dbraw/zinc/17/42/81/279174281.db2.gz OBIKLHICEVSMMQ-VHSXEESVSA-N 0 0 273.323 2.728 20 10 CFCDRN Cc1noc([C@@H]2CCCCN2Cc2cc(F)ccc2O)n1 ZINC000289753910 279255408 /nfs/dbraw/zinc/25/54/08/279255408.db2.gz JIKWETFSYBTWPR-ZDUSSCGKSA-N 0 0 291.326 2.950 20 10 CFCDRN COC(=O)c1ccccc1N(C)C(=O)/C=C\c1cccnc1 ZINC000255910392 327028986 /nfs/dbraw/zinc/02/89/86/327028986.db2.gz FVAPNXDRRFAADA-KTKRTIGZSA-N 0 0 296.326 2.544 20 10 CFCDRN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000527765804 330281682 /nfs/dbraw/zinc/28/16/82/330281682.db2.gz JUBBBJSSSFRGAJ-CLAHSXSESA-N 0 0 285.746 2.842 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000528002817 330300221 /nfs/dbraw/zinc/30/02/21/330300221.db2.gz MPCOKCGBBGUUKW-DMZJWBPISA-N 0 0 267.344 2.994 20 10 CFCDRN CSc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000491865259 332372744 /nfs/dbraw/zinc/37/27/44/332372744.db2.gz JEJXNHXSPUYCJB-FPYGCLRLSA-N 0 0 285.372 2.875 20 10 CFCDRN CC[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 ZINC000491908590 332374741 /nfs/dbraw/zinc/37/47/41/332374741.db2.gz XLBPAKQCJCLTRP-DANTVBBOSA-N 0 0 295.342 2.694 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCSc2ccncc21 ZINC000492424442 332396957 /nfs/dbraw/zinc/39/69/57/332396957.db2.gz ZJDRCQWRARUNES-NSCUHMNNSA-N 0 0 297.383 2.937 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2O1 ZINC000492435235 332397332 /nfs/dbraw/zinc/39/73/32/332397332.db2.gz FHRSDZQXRBWJMJ-DGMVEKRQSA-N 0 0 296.326 2.615 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000492504816 332400718 /nfs/dbraw/zinc/40/07/18/332400718.db2.gz PUDNIGTZNWIJAY-CMDGGOBGSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2ncccc2C)c1 ZINC000492707804 332410399 /nfs/dbraw/zinc/41/03/99/332410399.db2.gz OUZQVQWMKIUWHE-VOTSOKGWSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2c1c(F)ccc2F ZINC000492893844 332417604 /nfs/dbraw/zinc/41/76/04/332417604.db2.gz IGYPGPJUEWFWCF-UTCJRWHESA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C\c2cncs2)ccn1 ZINC000492976419 332420965 /nfs/dbraw/zinc/42/09/65/332420965.db2.gz XYCHRSVTLMGNFH-ARJAWSKDSA-N 0 0 259.334 2.523 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000529513805 333492199 /nfs/dbraw/zinc/49/21/99/333492199.db2.gz UFKRGMXOTBSKLO-RZGXBDKHSA-N 0 0 297.782 2.721 20 10 CFCDRN CC(=O)C(=O)CSc1nnc(CCC2CCCCC2)o1 ZINC000289749955 519357572 /nfs/dbraw/zinc/35/75/72/519357572.db2.gz UTMVDFSSGGMOOU-UHFFFAOYSA-N 0 0 296.392 2.833 20 10 CFCDRN Cc1csc(COC(=O)C2=CC(=O)CS2)n1 ZINC000756410380 574110698 /nfs/dbraw/zinc/11/06/98/574110698.db2.gz KTKMKVCFPDWQIJ-UHFFFAOYSA-N 0 0 255.320 2.576 20 10 CFCDRN CCOC(CC[NH2+][C@H](C)c1ccc(F)cc1[O-])OCC ZINC000276482590 521629318 /nfs/dbraw/zinc/62/93/18/521629318.db2.gz GJNXCUIIXREFKQ-LLVKDONJSA-N 0 0 285.359 2.971 20 10 CFCDRN CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000187165974 521732077 /nfs/dbraw/zinc/73/20/77/521732077.db2.gz ZRNJXPBYMDBBSR-PWSUYJOCSA-N 0 0 281.377 2.502 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000155958859 518279010 /nfs/dbraw/zinc/27/90/10/518279010.db2.gz OGUJUSQMVCPQRD-ONGXEEELSA-N 0 0 297.782 2.857 20 10 CFCDRN CC(C)(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000265011653 518552897 /nfs/dbraw/zinc/55/28/97/518552897.db2.gz HGYQZOAMQDJFCY-UHFFFAOYSA-N 0 0 288.391 2.518 20 10 CFCDRN CC(C)(C)c1cnc(SCCN2CCNC2=O)s1 ZINC000289596284 519076347 /nfs/dbraw/zinc/07/63/47/519076347.db2.gz JZFJFZORHRDKPO-UHFFFAOYSA-N 0 0 285.438 2.558 20 10 CFCDRN CC(C)(C)c1nnc2ccc(NCc3ccccc3O)nn21 ZINC000274811723 519128109 /nfs/dbraw/zinc/12/81/09/519128109.db2.gz NIBMJVAHWVWAPC-UHFFFAOYSA-N 0 0 297.362 2.740 20 10 CFCDRN CC(=O)CC(C)(C)CC(=O)N(C)Cc1ccccc1O ZINC000191908136 519372888 /nfs/dbraw/zinc/37/28/88/519372888.db2.gz BPTIKCFMBNKZLU-UHFFFAOYSA-N 0 0 277.364 2.746 20 10 CFCDRN CC(C)=CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000276606463 519415781 /nfs/dbraw/zinc/41/57/81/519415781.db2.gz HQFRMNNFKKJLRC-UHFFFAOYSA-N 0 0 250.298 2.746 20 10 CFCDRN CC(C)CC(C)(C)C(=O)NCCc1ccc(N)cc1 ZINC000236656231 519613389 /nfs/dbraw/zinc/61/33/89/519613389.db2.gz ZOCTXFONAGMRJD-UHFFFAOYSA-N 0 0 262.397 3.000 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000184821056 519805484 /nfs/dbraw/zinc/80/54/84/519805484.db2.gz KJDYAVBCJUMIKG-GJZGRUSLSA-N 0 0 260.381 2.661 20 10 CFCDRN CC(C)c1noc(COc2ccc(N(C)C)cc2)n1 ZINC000278466368 519904803 /nfs/dbraw/zinc/90/48/03/519904803.db2.gz CATLXMTYMPFXLV-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN CCOCc1nc([C@H](C)N[C@H](C)c2ccccc2O)no1 ZINC000290020794 520218405 /nfs/dbraw/zinc/21/84/05/520218405.db2.gz CGRXUADNORXDCD-MNOVXSKESA-N 0 0 291.351 2.724 20 10 CFCDRN CCCO[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236898193 520263128 /nfs/dbraw/zinc/26/31/28/520263128.db2.gz XWQURAZLTYMTEE-MRXNPFEDSA-N 0 0 290.407 2.619 20 10 CFCDRN CCCOc1ccc(CNc2ncc(OC)cn2)c(O)c1 ZINC000290984060 520376476 /nfs/dbraw/zinc/37/64/76/520376476.db2.gz SENKACGPXYDSRU-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN CCN(CC(=O)c1cccn1C)c1ccc(OC)cc1 ZINC000264232655 520388012 /nfs/dbraw/zinc/38/80/12/520388012.db2.gz SCBIWKJZFZHXND-UHFFFAOYSA-N 0 0 272.348 2.743 20 10 CFCDRN CCCCNC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000121870962 520612965 /nfs/dbraw/zinc/61/29/65/520612965.db2.gz SVMKAPDKUMHAOJ-UHFFFAOYSA-N 0 0 284.787 2.701 20 10 CFCDRN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748397 520720252 /nfs/dbraw/zinc/72/02/52/520720252.db2.gz ZCQUOPUYBRFXEU-NEPJUHHUSA-N 0 0 268.376 2.912 20 10 CFCDRN CCN(CC)c1ccc(C[NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000066057034 520892568 /nfs/dbraw/zinc/89/25/68/520892568.db2.gz WBTKPCGVFNUUJA-UHFFFAOYSA-N 0 0 290.407 2.829 20 10 CFCDRN CCN(CC)c1ccc(CN2CCn3cnnc3[C@H]2C)cc1 ZINC000276805562 520895203 /nfs/dbraw/zinc/89/52/03/520895203.db2.gz NDPNCISHGKUJFD-CQSZACIVSA-N 0 0 299.422 2.701 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nc(COC)no2)cc1 ZINC000272042323 521028180 /nfs/dbraw/zinc/02/81/80/521028180.db2.gz FXZAUINEHALZSX-UHFFFAOYSA-N 0 0 291.351 2.641 20 10 CFCDRN CCOC(=O)[C@@H](NCc1cccc(F)c1O)[C@H](C)CC ZINC000276484986 521082872 /nfs/dbraw/zinc/08/28/72/521082872.db2.gz OZAXZUBZGVMKOF-MFKMUULPSA-N 0 0 283.343 2.599 20 10 CFCDRN CCOc1ccc(NCc2ccccc2O)cc1CO ZINC000037901468 521127272 /nfs/dbraw/zinc/12/72/72/521127272.db2.gz SBMNKFCCXDBFHM-UHFFFAOYSA-N 0 0 273.332 2.895 20 10 CFCDRN CCOc1ccc(O)c(CNC(C)(C)c2nc(C)no2)c1 ZINC000283812666 521148419 /nfs/dbraw/zinc/14/84/19/521148419.db2.gz BRPPKCZGNRJIJW-UHFFFAOYSA-N 0 0 291.351 2.507 20 10 CFCDRN CCOc1ccc(O)c(CNc2cccc(CO)c2)c1 ZINC000191946299 521156036 /nfs/dbraw/zinc/15/60/36/521156036.db2.gz NOGXIRKMCFXWRE-UHFFFAOYSA-N 0 0 273.332 2.895 20 10 CFCDRN CCOC(=O)[C@@]1(CCSc2nccs2)CCCC1=O ZINC000174150837 521181528 /nfs/dbraw/zinc/18/15/28/521181528.db2.gz BSPHYZMWBSKSGO-CYBMUJFWSA-N 0 0 299.417 2.928 20 10 CFCDRN CCC[C@H](OC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294708485 521195128 /nfs/dbraw/zinc/19/51/28/521195128.db2.gz LQIVCANFUSXMFD-INIZCTEOSA-N 0 0 290.407 2.500 20 10 CFCDRN CCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278447540 521287897 /nfs/dbraw/zinc/28/78/97/521287897.db2.gz XEYJHGJFGYKDPT-UHFFFAOYSA-N 0 0 282.340 2.835 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCOC ZINC000299319319 521317624 /nfs/dbraw/zinc/31/76/24/521317624.db2.gz GLLGLMUMUNOSAP-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCOC1 ZINC000263924881 521320183 /nfs/dbraw/zinc/32/01/83/521320183.db2.gz VCCULEZTCWCQLD-HNNXBMFYSA-N 0 0 290.407 2.528 20 10 CFCDRN CCC(C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278297308 521382193 /nfs/dbraw/zinc/38/21/93/521382193.db2.gz CHSMAOKRTSJVPE-UHFFFAOYSA-N 0 0 282.340 2.977 20 10 CFCDRN CCN(Cc1ccon1)c1ccc(OC)c(OC)c1 ZINC000265806163 521425203 /nfs/dbraw/zinc/42/52/03/521425203.db2.gz DENVMFFSBFSVQX-UHFFFAOYSA-N 0 0 262.309 2.718 20 10 CFCDRN CCN(Cc1nnc(C(C)C)[nH]1)c1ccc(OC)cc1 ZINC000292554676 521446873 /nfs/dbraw/zinc/44/68/73/521446873.db2.gz RFOGPNMQDIMDRL-UHFFFAOYSA-N 0 0 274.368 2.963 20 10 CFCDRN CCOc1ccccc1CCNC(=O)Cc1ccc(N)cc1 ZINC000236913913 521471734 /nfs/dbraw/zinc/47/17/34/521471734.db2.gz DUOWTOQBVBQQOU-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN CCCc1nsc(NCc2cccc(OC)c2O)n1 ZINC000292772581 521599077 /nfs/dbraw/zinc/59/90/77/521599077.db2.gz WXTDZPCZYHZOFP-UHFFFAOYSA-N 0 0 279.365 2.817 20 10 CFCDRN CCOc1ncccc1NCc1cccc(OC)c1O ZINC000037026386 521625881 /nfs/dbraw/zinc/62/58/81/521625881.db2.gz GDWLXIZPNNSZKN-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000275720000 521627373 /nfs/dbraw/zinc/62/73/73/521627373.db2.gz NNTCWKFGAKZXOI-LLVKDONJSA-N 0 0 295.379 2.645 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC1CCOCC1 ZINC000117413261 521686931 /nfs/dbraw/zinc/68/69/31/521686931.db2.gz CCCWHMYBCHZSCG-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccnnc1 ZINC000297493162 521688539 /nfs/dbraw/zinc/68/85/39/521688539.db2.gz VJTUPZVGOGPADN-UHFFFAOYSA-N 0 0 286.335 2.626 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccncc1 ZINC000264400806 521688695 /nfs/dbraw/zinc/68/86/95/521688695.db2.gz JNFFONUENFJDTP-UHFFFAOYSA-N 0 0 299.374 2.909 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCCO1 ZINC000156542886 521689427 /nfs/dbraw/zinc/68/94/27/521689427.db2.gz VFGZCXMJAQTNPO-OAHLLOKOSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nc(C)ns1 ZINC000271440696 521691041 /nfs/dbraw/zinc/69/10/41/521691041.db2.gz XKDOBLSVLQQIKQ-UHFFFAOYSA-N 0 0 263.366 2.969 20 10 CFCDRN CCS[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236877964 521724014 /nfs/dbraw/zinc/72/40/14/521724014.db2.gz MEVKAXJKPLAZRE-HUUCEWRRSA-N 0 0 292.448 2.992 20 10 CFCDRN CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000187165936 521731524 /nfs/dbraw/zinc/73/15/24/521731524.db2.gz ZRNJXPBYMDBBSR-JQWIXIFHSA-N 0 0 281.377 2.502 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC2=CCCC2)ccc1[N+](=O)[O-] ZINC000278474164 521875090 /nfs/dbraw/zinc/87/50/90/521875090.db2.gz HZSKXNGGXPLERJ-UHFFFAOYSA-N 0 0 292.335 2.899 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(SC)CC2)c1 ZINC000279056518 522135930 /nfs/dbraw/zinc/13/59/30/522135930.db2.gz KNFOPNJFJMKIDO-SNVBAGLBSA-N 0 0 295.404 2.725 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(Cl)Cl)cc1 ZINC000183503918 522162842 /nfs/dbraw/zinc/16/28/42/522162842.db2.gz XQERIRJAMUNWCS-UHFFFAOYSA-N 0 0 289.206 2.905 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CSC2CC2)cc1 ZINC000294276998 522166727 /nfs/dbraw/zinc/16/67/27/522166727.db2.gz FDBOBZHUOBLDQU-UHFFFAOYSA-N 0 0 278.421 2.607 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccco2)cc1 ZINC000060678542 522171067 /nfs/dbraw/zinc/17/10/67/522171067.db2.gz RENAAVVFUZDGNQ-UHFFFAOYSA-N 0 0 258.321 2.618 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Cc2cccs2)cc1 ZINC000008170703 522192332 /nfs/dbraw/zinc/19/23/32/522192332.db2.gz IPGNSIOYXOAFDI-UHFFFAOYSA-N 0 0 274.389 2.673 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCC2(C)C)cc1 ZINC000287501800 522200952 /nfs/dbraw/zinc/20/09/52/522200952.db2.gz VXTWTPRSXUQVGB-AWEZNQCLSA-N 0 0 275.396 2.740 20 10 CFCDRN CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000253136718 522207966 /nfs/dbraw/zinc/20/79/66/522207966.db2.gz SPPLEPRAMPRROZ-CTYIDZIISA-N 0 0 290.407 2.733 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000084854100 522212452 /nfs/dbraw/zinc/21/24/52/522212452.db2.gz GUVJTCUUOAMZBV-QGZVFWFLSA-N 0 0 298.386 2.538 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000177511446 522251333 /nfs/dbraw/zinc/25/13/33/522251333.db2.gz PQDNMQJYZAFHCF-KGLIPLIRSA-N 0 0 286.375 2.524 20 10 CFCDRN CCc1nc(CN(CC)c2ccc(OC)c(OC)c2)no1 ZINC000264760765 522292998 /nfs/dbraw/zinc/29/29/98/522292998.db2.gz YSTSPGRYQAQDNX-UHFFFAOYSA-N 0 0 291.351 2.676 20 10 CFCDRN COc1cc(N(C)Cc2ncc(C)o2)cc(OC)c1OC ZINC000173797820 522622987 /nfs/dbraw/zinc/62/29/87/522622987.db2.gz IXKPZRANODWAPF-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN COCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000293714066 522812045 /nfs/dbraw/zinc/81/20/45/522812045.db2.gz PBVJSVRTBFXZEV-JTQLQIEISA-N 0 0 255.333 2.855 20 10 CFCDRN CC[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000085068659 523114689 /nfs/dbraw/zinc/11/46/89/523114689.db2.gz WOMDNSXNASAJIE-SWLSCSKDSA-N 0 0 260.381 2.896 20 10 CFCDRN CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278212249 523252379 /nfs/dbraw/zinc/25/23/79/523252379.db2.gz KGUDNWAVACRYKS-LLVKDONJSA-N 0 0 294.351 2.931 20 10 CFCDRN CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000291705955 523334752 /nfs/dbraw/zinc/33/47/52/523334752.db2.gz VAMFELSHLKDXLU-OAHLLOKOSA-N 0 0 287.407 2.981 20 10 CFCDRN CC[C@H]1CO[C@H](C)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000048915889 523351026 /nfs/dbraw/zinc/35/10/26/523351026.db2.gz BIZSORJUNPTMOU-YGRLFVJLSA-N 0 0 295.354 2.733 20 10 CFCDRN CN(Cc1ccccc1O)c1cc(N2CCCCC2)ncn1 ZINC000276363754 523387748 /nfs/dbraw/zinc/38/77/48/523387748.db2.gz WFMJRKWOEZPIMK-UHFFFAOYSA-N 0 0 298.390 2.809 20 10 CFCDRN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293828686 523408157 /nfs/dbraw/zinc/40/81/57/523408157.db2.gz GJSWGJVDMBKWPV-QMMMGPOBSA-N 0 0 261.724 2.651 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000293715750 523534594 /nfs/dbraw/zinc/53/45/94/523534594.db2.gz STMIJCPNNGIWOM-ZDUSSCGKSA-N 0 0 273.735 2.699 20 10 CFCDRN COc1ccc(CNCC(F)(F)C(F)F)cc1C ZINC000234868093 524069704 /nfs/dbraw/zinc/06/97/04/524069704.db2.gz VLIZVKGFZMJKPC-UHFFFAOYSA-N 0 0 265.250 2.994 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 ZINC000173730728 524084949 /nfs/dbraw/zinc/08/49/49/524084949.db2.gz OKXIKLFHDHUVSJ-CQSZACIVSA-N 0 0 297.402 2.910 20 10 CFCDRN C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000073915851 524113083 /nfs/dbraw/zinc/11/30/83/524113083.db2.gz DTUMTKYLVFBYJR-NSHDSACASA-N 0 0 279.359 2.586 20 10 CFCDRN C[C@H]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000226323765 524196669 /nfs/dbraw/zinc/19/66/69/524196669.db2.gz CBWWDGUSKBWEGT-JSGCOSHPSA-N 0 0 260.381 2.754 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)O)cc1 ZINC000265504464 524216814 /nfs/dbraw/zinc/21/68/14/524216814.db2.gz QMPGKVZDXCUEAI-AWEZNQCLSA-N 0 0 286.375 2.595 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)CO)cc1 ZINC000283708220 524217250 /nfs/dbraw/zinc/21/72/50/524217250.db2.gz TUIXKCJRPYLFCM-AWEZNQCLSA-N 0 0 286.375 2.547 20 10 CFCDRN Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183435216 524271564 /nfs/dbraw/zinc/27/15/64/524271564.db2.gz VUTQZXOYGYQEOK-CYBMUJFWSA-N 0 0 299.370 2.696 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)n[nH]c2C)cc1F ZINC000272470444 524352430 /nfs/dbraw/zinc/35/24/30/524352430.db2.gz AGFDPDUVGRJEGP-UHFFFAOYSA-N 0 0 263.316 2.811 20 10 CFCDRN COc1ccc(N(CC(=O)N2CCCC2)C(C)C)cc1F ZINC000156775227 524359293 /nfs/dbraw/zinc/35/92/93/524359293.db2.gz LYMHGQGLKVOOKZ-UHFFFAOYSA-N 0 0 294.370 2.672 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccccc2O)CC1 ZINC000264560705 524419231 /nfs/dbraw/zinc/41/92/31/524419231.db2.gz RQXRQDNWHQUETQ-AULYBMBSSA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1cccc(C[C@H](CO)[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000276106755 524468077 /nfs/dbraw/zinc/46/80/77/524468077.db2.gz HBXZPRXSBLOAFO-OAHLLOKOSA-N 0 0 289.350 2.533 20 10 CFCDRN C[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289500640 524539416 /nfs/dbraw/zinc/53/94/16/524539416.db2.gz SVFYNHYJPNKKBV-SSDOTTSWSA-N 0 0 264.152 2.512 20 10 CFCDRN COc1ccc(O)c(CNc2nccc(C(F)(F)F)n2)c1 ZINC000301296989 524758193 /nfs/dbraw/zinc/75/81/93/524758193.db2.gz SNGJZHCLNVFLKN-UHFFFAOYSA-N 0 0 299.252 2.822 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000274724020 524892439 /nfs/dbraw/zinc/89/24/39/524892439.db2.gz AWBKBQWZPNHLDH-QUVIIPFCSA-N 0 0 289.375 2.891 20 10 CFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(N(C)C)cc2)C1 ZINC000277881198 525201782 /nfs/dbraw/zinc/20/17/82/525201782.db2.gz PSOCDYLWZNZZMA-ZIAGYGMSSA-N 0 0 290.407 2.636 20 10 CFCDRN Cc1cc(NCc2ccccc2O)nc(C2CC2)n1 ZINC000265338777 525279519 /nfs/dbraw/zinc/27/95/19/525279519.db2.gz IDZYLUFVKSFPOH-UHFFFAOYSA-N 0 0 255.321 2.980 20 10 CFCDRN CSCC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000282748525 525362780 /nfs/dbraw/zinc/36/27/80/525362780.db2.gz NUDBXDBOFNHLBM-SNVBAGLBSA-N 0 0 297.420 2.534 20 10 CFCDRN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)c(F)c1[O-] ZINC000276875662 525421078 /nfs/dbraw/zinc/42/10/78/525421078.db2.gz FMDFZNOMFAKLTQ-SNVBAGLBSA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000224908799 525533657 /nfs/dbraw/zinc/53/36/57/525533657.db2.gz UMOVHPJEEGKURM-SNVBAGLBSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000278773039 525572884 /nfs/dbraw/zinc/57/28/84/525572884.db2.gz XZOQXVOIRKSJCB-GBIKHYSHSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000062746856 525620994 /nfs/dbraw/zinc/62/09/94/525620994.db2.gz YOOGRSSQQCBWEX-TUKIKUTGSA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000186562882 525627179 /nfs/dbraw/zinc/62/71/79/525627179.db2.gz GQBHWWOCHVBZQS-MFKMUULPSA-N 0 0 279.311 2.899 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273480031 525686696 /nfs/dbraw/zinc/68/66/96/525686696.db2.gz LVDZBYDJRGWPTG-FOGDFJRCSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180910018 525730502 /nfs/dbraw/zinc/73/05/02/525730502.db2.gz SSOJCGMLAVJZSI-HOSRBBHYSA-N 0 0 298.342 2.516 20 10 CFCDRN C[C@@](O)(CC[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000275226222 525762354 /nfs/dbraw/zinc/76/23/54/525762354.db2.gz HYRSOPUPXCCWGZ-QGZVFWFLSA-N 0 0 289.350 2.919 20 10 CFCDRN CS[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159831 525780752 /nfs/dbraw/zinc/78/07/52/525780752.db2.gz PZBQEBZBUAHCLM-JTQLQIEISA-N 0 0 279.405 2.639 20 10 CFCDRN CS[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000156391667 525784502 /nfs/dbraw/zinc/78/45/02/525784502.db2.gz YBIRSPBKZWMBMO-LBPRGKRZSA-N 0 0 280.437 2.853 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000226363808 525834425 /nfs/dbraw/zinc/83/44/25/525834425.db2.gz XZSLPUVBACPPFT-UONOGXRCSA-N 0 0 278.421 2.602 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000161623829 525865364 /nfs/dbraw/zinc/86/53/64/525865364.db2.gz BMOUGAAIEVYQJS-GFCCVEGCSA-N 0 0 292.448 2.827 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000265398890 525905454 /nfs/dbraw/zinc/90/54/54/525905454.db2.gz VKZAJLSVBUBHFH-OLZOCXBDSA-N 0 0 294.420 2.866 20 10 CFCDRN COc1cccc(CNC(=O)CC2CCCCC2)c1O ZINC000068488824 525965500 /nfs/dbraw/zinc/96/55/00/525965500.db2.gz DOXJDBIGXFHUGA-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)C[C@@H]1F ZINC000335116725 525974111 /nfs/dbraw/zinc/97/41/11/525974111.db2.gz MVHJOZJPUSUNKT-GOEBONIOSA-N 0 0 274.339 2.851 20 10 CFCDRN COc1cccc(CNC(=O)[C@H](C)C(C)(C)C)c1O ZINC000265147493 525999026 /nfs/dbraw/zinc/99/90/26/525999026.db2.gz AIZMHUJBMIIPAQ-JTQLQIEISA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c(O)c1O ZINC000291967760 526080578 /nfs/dbraw/zinc/08/05/78/526080578.db2.gz SLZRKKFIAKSFFB-CQSZACIVSA-N 0 0 275.348 2.667 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c(O)c1O ZINC000272655421 526192547 /nfs/dbraw/zinc/19/25/47/526192547.db2.gz LMGVQJSRXLFCOK-NSHDSACASA-N 0 0 289.331 2.750 20 10 CFCDRN Cc1cncc(NCCCSc2nccs2)n1 ZINC000302226620 526209515 /nfs/dbraw/zinc/20/95/15/526209515.db2.gz PSYXUYIGNWVZTQ-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291309306 526325730 /nfs/dbraw/zinc/32/57/30/526325730.db2.gz RMUXGUSOIVJHBL-GFCCVEGCSA-N 0 0 277.755 2.689 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366696861 526328328 /nfs/dbraw/zinc/32/83/28/526328328.db2.gz PRFDQRLGKREQEA-RISCZKNCSA-N 0 0 265.328 2.532 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000361053150 526329904 /nfs/dbraw/zinc/32/99/04/526329904.db2.gz QEVCTVLVDMVQIS-AWEZNQCLSA-N 0 0 288.322 2.580 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000191137631 526346248 /nfs/dbraw/zinc/34/62/48/526346248.db2.gz WQGYYDNLFIKCGM-VIFPVBQESA-N 0 0 295.745 2.555 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000228143524 526347415 /nfs/dbraw/zinc/34/74/15/526347415.db2.gz YJXFTVWUIBVSTP-OCCSQVGLSA-N 0 0 267.756 2.799 20 10 CFCDRN Fc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000156798676 526353967 /nfs/dbraw/zinc/35/39/67/526353967.db2.gz REVQTNHMNGTYDP-UHFFFAOYSA-N 0 0 287.338 2.669 20 10 CFCDRN O=C(CC1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000158935244 526361347 /nfs/dbraw/zinc/36/13/47/526361347.db2.gz PVXXUKXVRUIPCA-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN Oc1ccccc1CN(Cc1ccco1)c1ncccn1 ZINC000301978684 526372050 /nfs/dbraw/zinc/37/20/50/526372050.db2.gz AAZBEQFZSHCGME-UHFFFAOYSA-N 0 0 281.315 2.982 20 10 CFCDRN O=c1[nH]ccc2c1C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000276977168 526379845 /nfs/dbraw/zinc/37/98/45/526379845.db2.gz DTDAKYDTMXTYCB-UHFFFAOYSA-N 0 0 290.750 2.705 20 10 CFCDRN Cc1nnnn1-c1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000192823517 526435600 /nfs/dbraw/zinc/43/56/00/526435600.db2.gz IJSDUKHBOZAZQL-LLVKDONJSA-N 0 0 295.346 2.849 20 10 CFCDRN Cc1nc(C(C)C)oc1C(=O)NCc1ccccc1O ZINC000293698753 526671227 /nfs/dbraw/zinc/67/12/27/526671227.db2.gz MJSFRVKMALSGTG-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cscn1 ZINC000171280183 526680724 /nfs/dbraw/zinc/68/07/24/526680724.db2.gz YERUBGOCJFQLJG-UHFFFAOYSA-N 0 0 287.388 2.673 20 10 CFCDRN O=C(NCc1ccccc1O)C1(c2cccnc2)CCCC1 ZINC000365857372 526753904 /nfs/dbraw/zinc/75/39/04/526753904.db2.gz RUMBARCLLUFFCF-UHFFFAOYSA-N 0 0 296.370 2.915 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCCC1(F)F ZINC000295042035 526755951 /nfs/dbraw/zinc/75/59/51/526755951.db2.gz JGPNMJRSIZVWEN-LLVKDONJSA-N 0 0 269.291 2.834 20 10 CFCDRN Cc1nc(Sc2ncc([N+](=O)[O-])s2)[nH]c1C ZINC000292863600 527025136 /nfs/dbraw/zinc/02/51/36/527025136.db2.gz SJLWMIJJEGBOEQ-UHFFFAOYSA-N 0 0 256.312 2.542 20 10 CFCDRN NC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)c1 ZINC000178191603 527082087 /nfs/dbraw/zinc/08/20/87/527082087.db2.gz RZVVDSWDHISBIV-UHFFFAOYSA-N 0 0 296.370 2.965 20 10 CFCDRN Nc1ccc(CC(=O)NCC2(c3cccc(F)c3)CC2)cc1 ZINC000160540974 527477086 /nfs/dbraw/zinc/47/70/86/527477086.db2.gz OZOWGRVLFQJFLT-UHFFFAOYSA-N 0 0 298.361 2.798 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000237910695 527478486 /nfs/dbraw/zinc/47/84/86/527478486.db2.gz LXHFDUDNPWMOSX-SFHVURJKSA-N 0 0 294.398 2.949 20 10 CFCDRN OCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000303373741 527537831 /nfs/dbraw/zinc/53/78/31/527537831.db2.gz MNXOJJWILGBARI-UHFFFAOYSA-N 0 0 271.307 2.813 20 10 CFCDRN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158104482 527580256 /nfs/dbraw/zinc/58/02/56/527580256.db2.gz VVZOWSZZGQBVRX-CYBMUJFWSA-N 0 0 291.782 2.946 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnc(F)c(C)c2)nn1 ZINC001243397092 782181860 /nfs/dbraw/zinc/18/18/60/782181860.db2.gz KFQWFBMWLXRDKV-UHFFFAOYSA-N 0 0 283.310 2.695 20 10 CFCDRN CC(C)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736425749 574051107 /nfs/dbraw/zinc/05/11/07/574051107.db2.gz CAJCSLQGABBBIB-UHFFFAOYSA-N 0 0 285.771 2.978 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1ccc(OC)c(C)c1 ZINC000753568966 574060613 /nfs/dbraw/zinc/06/06/13/574060613.db2.gz NKGOFHOHEMDYCD-HNNXBMFYSA-N 0 0 291.391 2.825 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000753982002 574061268 /nfs/dbraw/zinc/06/12/68/574061268.db2.gz PMISHFHZLBFOSA-UHFFFAOYSA-N 0 0 290.338 2.652 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@H]1CCCCO1 ZINC000754081197 574070571 /nfs/dbraw/zinc/07/05/71/574070571.db2.gz JNAMKLSENVIUEH-OAHLLOKOSA-N 0 0 290.407 2.911 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCOC2)cc1 ZINC000754145463 574077167 /nfs/dbraw/zinc/07/71/67/574077167.db2.gz AXJDNPPGHMIXRA-QGZVFWFLSA-N 0 0 290.407 2.576 20 10 CFCDRN COc1ccnc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000730378732 574079610 /nfs/dbraw/zinc/07/96/10/574079610.db2.gz HKRIXCVMSQEFHZ-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN CC[N@H+](CC(=O)[O-])Cc1cc(C(C)C)c(C)cc1O ZINC000737074190 574108466 /nfs/dbraw/zinc/10/84/66/574108466.db2.gz CGYMOLWUKFFOFH-UHFFFAOYSA-N 0 0 265.353 2.731 20 10 CFCDRN Cc1cc(C)c(O)c(CN2CCOC[C@H]2C(F)(F)F)c1 ZINC000754742712 574118030 /nfs/dbraw/zinc/11/80/30/574118030.db2.gz XUVPXAZHLYOQJC-LBPRGKRZSA-N 0 0 289.297 2.772 20 10 CFCDRN COc1cc(CN2CC(OC)C2)c(O)c(C(C)(C)C)c1 ZINC000754742634 574118143 /nfs/dbraw/zinc/11/81/43/574118143.db2.gz VMYZYTHKNKMTSC-UHFFFAOYSA-N 0 0 279.380 2.529 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000756659193 574127753 /nfs/dbraw/zinc/12/77/53/574127753.db2.gz PJLLDWQHGXMXDQ-SECBINFHSA-N 0 0 264.275 2.916 20 10 CFCDRN O=C(NCCc1ccccc1F)C1=CC(=O)CS1 ZINC000731863977 574130833 /nfs/dbraw/zinc/13/08/33/574130833.db2.gz HVIPSLPGFFCGHX-UHFFFAOYSA-N 0 0 265.309 2.565 20 10 CFCDRN COc1ccc(NC(=O)C2=CC(=O)CS2)cc1OC ZINC000731865769 574131312 /nfs/dbraw/zinc/13/13/12/574131312.db2.gz HHMYKCCOUMYGDP-UHFFFAOYSA-N 0 0 279.317 2.723 20 10 CFCDRN Cc1ccc(OCCN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000731865205 574131460 /nfs/dbraw/zinc/13/14/60/574131460.db2.gz IRRCRIPEQYWDBM-UHFFFAOYSA-N 0 0 291.372 2.913 20 10 CFCDRN O=C(Nc1ccc2c(c1)OCCCO2)C1=CC(=O)CS1 ZINC000731866797 574132445 /nfs/dbraw/zinc/13/24/45/574132445.db2.gz ZABAUUPBFNWCCQ-UHFFFAOYSA-N 0 0 291.328 2.867 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000731910244 574133157 /nfs/dbraw/zinc/13/31/57/574133157.db2.gz QDCSHRPWORNZOP-UHFFFAOYSA-N 0 0 280.276 2.633 20 10 CFCDRN CCN(CC(=O)NCc1ccccc1)c1ccc(OC)cc1 ZINC000746109014 574134730 /nfs/dbraw/zinc/13/47/30/574134730.db2.gz HLFVDOZUXJTZQM-UHFFFAOYSA-N 0 0 298.386 2.838 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N[C@H](C)CC)cc1 ZINC000746159077 574137766 /nfs/dbraw/zinc/13/77/66/574137766.db2.gz NIBQWXPGMMMITJ-CYBMUJFWSA-N 0 0 278.396 2.826 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)COC2CCCC2)c1 ZINC000728982743 574143259 /nfs/dbraw/zinc/14/32/59/574143259.db2.gz QDOLEMAVWYVXCB-LLVKDONJSA-N 0 0 293.363 2.537 20 10 CFCDRN C/C=C/C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000737819185 574144588 /nfs/dbraw/zinc/14/45/88/574144588.db2.gz QADPTDYKQARATD-QHHAFSJGSA-N 0 0 258.365 2.869 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000746319222 574145328 /nfs/dbraw/zinc/14/53/28/574145328.db2.gz FAKYKTUWDUFBIO-QGZVFWFLSA-N 0 0 296.370 2.881 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)C1=CC(=O)CS1 ZINC000732278418 574147901 /nfs/dbraw/zinc/14/79/01/574147901.db2.gz MDZAACWCRLSVOE-VXGBXAGGSA-N 0 0 277.320 2.879 20 10 CFCDRN CN(Cc1ccc(Cl)nc1)C(=O)C1=CC(=O)CS1 ZINC000732266979 574148249 /nfs/dbraw/zinc/14/82/49/574148249.db2.gz SHDJBQWOQJYVPV-UHFFFAOYSA-N 0 0 282.752 2.774 20 10 CFCDRN COc1cc(F)ccc1NC(=O)C1=CC(=O)CS1 ZINC000732269846 574148435 /nfs/dbraw/zinc/14/84/35/574148435.db2.gz VTAQBBZBDZKRHN-UHFFFAOYSA-N 0 0 267.281 2.854 20 10 CFCDRN CCN(CC)c1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000732272057 574148723 /nfs/dbraw/zinc/14/87/23/574148723.db2.gz FTDRMEZGWFGSMY-UHFFFAOYSA-N 0 0 291.376 2.947 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc([N+](=O)[O-])c1 ZINC000732273874 574148747 /nfs/dbraw/zinc/14/87/47/574148747.db2.gz FEUICBUNRHFBPX-MRVPVSSYSA-N 0 0 292.316 2.853 20 10 CFCDRN CN(CCc1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000732276275 574149258 /nfs/dbraw/zinc/14/92/58/574149258.db2.gz PKCJPBRWKBENBG-UHFFFAOYSA-N 0 0 279.336 2.908 20 10 CFCDRN CCc1nc(CN(C)C(=O)C2=CC(=O)CS2)cs1 ZINC000732277169 574149298 /nfs/dbraw/zinc/14/92/98/574149298.db2.gz BYLPONUQRPCSRE-UHFFFAOYSA-N 0 0 282.390 2.745 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277755 574149576 /nfs/dbraw/zinc/14/95/76/574149576.db2.gz OKDZJWCFMPVWDQ-NWDGAFQWSA-N 0 0 259.330 2.740 20 10 CFCDRN CN1CCN(C(=O)C2=CC(=O)CS2)Cc2ccccc21 ZINC000732285160 574150166 /nfs/dbraw/zinc/15/01/66/574150166.db2.gz ULCOLWMNAADBQK-UHFFFAOYSA-N 0 0 288.372 2.546 20 10 CFCDRN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1=CC(=O)CS1 ZINC000755297405 574152955 /nfs/dbraw/zinc/15/29/55/574152955.db2.gz SJEVQKPOGJBFIP-RTXFEEFZSA-N 0 0 293.388 2.531 20 10 CFCDRN CC(C)[C@H](OC(=O)C1=CC(=O)CS1)C(=O)NC(C)(C)C ZINC000732354410 574153204 /nfs/dbraw/zinc/15/32/04/574153204.db2.gz LLQFRIXZJIRDDV-NSHDSACASA-N 0 0 299.392 2.550 20 10 CFCDRN Cc1nn(C)c(Cl)c1COC(=O)C1=CC(=O)CS1 ZINC000732354963 574153269 /nfs/dbraw/zinc/15/32/69/574153269.db2.gz XTZMVVXTHXBOHW-UHFFFAOYSA-N 0 0 286.740 2.506 20 10 CFCDRN Cc1c[nH]cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746880041 574169887 /nfs/dbraw/zinc/16/98/87/574169887.db2.gz VSOFLOSKDHPJBT-UHFFFAOYSA-N 0 0 283.375 2.636 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000752823989 574181848 /nfs/dbraw/zinc/18/18/48/574181848.db2.gz GILPJXAUKAJDQU-WDEREUQCSA-N 0 0 283.418 2.954 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCSCC2)c1 ZINC000733000997 574182330 /nfs/dbraw/zinc/18/23/30/574182330.db2.gz VBLFWSOWSJIOBM-JTQLQIEISA-N 0 0 295.404 2.721 20 10 CFCDRN COc1ccc(N(CC(=O)N(C)C2CC2)CC(C)C)cc1 ZINC000733194948 574210312 /nfs/dbraw/zinc/21/03/12/574210312.db2.gz XHVCFZOCNUNDSY-UHFFFAOYSA-N 0 0 290.407 2.778 20 10 CFCDRN CC(C)(CC[NH2+]Cc1ccc2c(c1)CCO2)CCC(=O)[O-] ZINC000756307324 574224010 /nfs/dbraw/zinc/22/40/10/574224010.db2.gz FFGDLDMJQMLCEL-UHFFFAOYSA-N 0 0 291.391 2.992 20 10 CFCDRN CCC(CC)CNC(=O)NCc1ccccc1O ZINC000729607306 574224677 /nfs/dbraw/zinc/22/46/77/574224677.db2.gz XXLJHVHURBNXHJ-UHFFFAOYSA-N 0 0 250.342 2.628 20 10 CFCDRN COc1cccc(CNC(=S)Nc2ccccc2)n1 ZINC000748044844 574226545 /nfs/dbraw/zinc/22/65/45/574226545.db2.gz LWNMQIWPPOYYOQ-UHFFFAOYSA-N 0 0 273.361 2.577 20 10 CFCDRN CN(Cc1ccon1)Cc1cc2c(cc1O)CCC2 ZINC000739880075 574226852 /nfs/dbraw/zinc/22/68/52/574226852.db2.gz PYIUBEGAQWFTFH-UHFFFAOYSA-N 0 0 258.321 2.501 20 10 CFCDRN COc1ccc(C[NH2+][C@](C)(CNC(=O)[O-])C(C)C)cc1C ZINC000739904948 574228321 /nfs/dbraw/zinc/22/83/21/574228321.db2.gz YSBHFRILCDGNLI-MRXNPFEDSA-N 0 0 294.395 2.776 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC000756359744 574229562 /nfs/dbraw/zinc/22/95/62/574229562.db2.gz FHAHIZISDAHABO-CQSZACIVSA-N 0 0 278.396 2.732 20 10 CFCDRN CCCCn1nnnc1CN(C)c1ccc(OCC)cc1 ZINC000739923536 574229606 /nfs/dbraw/zinc/22/96/06/574229606.db2.gz HRYVWOOWXVLTEZ-UHFFFAOYSA-N 0 0 289.383 2.508 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000756363090 574229704 /nfs/dbraw/zinc/22/97/04/574229704.db2.gz RMBPMKVMFUZPBO-CQSZACIVSA-N 0 0 290.388 2.730 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccccc1O ZINC000748159280 574233461 /nfs/dbraw/zinc/23/34/61/574233461.db2.gz VHHBEEGPTHNDQG-AAEUAGOBSA-N 0 0 278.421 2.935 20 10 CFCDRN CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756433090 574236664 /nfs/dbraw/zinc/23/66/64/574236664.db2.gz UZYNERARLFOJHS-WDEREUQCSA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756431814 574236704 /nfs/dbraw/zinc/23/67/04/574236704.db2.gz FXHDXEXDLAROCT-YMTOWFKASA-N 0 0 284.350 2.661 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756450259 574237835 /nfs/dbraw/zinc/23/78/35/574237835.db2.gz RYZPFOGMBPYYMT-ONGXEEELSA-N 0 0 273.323 2.728 20 10 CFCDRN COC[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756462925 574239380 /nfs/dbraw/zinc/23/93/80/574239380.db2.gz BJUMWXSGBOKVQK-BDAKNGLRSA-N 0 0 259.296 2.604 20 10 CFCDRN C[C@@H]([NH2+]Cc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507827 574241986 /nfs/dbraw/zinc/24/19/86/574241986.db2.gz GAPNWNGBDDFCPF-MRVPVSSYSA-N 0 0 279.321 2.608 20 10 CFCDRN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccn(C)n1 ZINC000756514847 574242790 /nfs/dbraw/zinc/24/27/90/574242790.db2.gz JKIXHLJUMHZYJJ-AWEZNQCLSA-N 0 0 271.364 2.596 20 10 CFCDRN CC(C)N(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527476 574243746 /nfs/dbraw/zinc/24/37/46/574243746.db2.gz YJMZUYNIZQJQJH-SNVBAGLBSA-N 0 0 272.339 2.661 20 10 CFCDRN COCC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527956 574243789 /nfs/dbraw/zinc/24/37/89/574243789.db2.gz SATFMDTYJGBWLE-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756545600 574245601 /nfs/dbraw/zinc/24/56/01/574245601.db2.gz NFNMUFNBJCOUIF-ONGXEEELSA-N 0 0 282.334 2.558 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000756550433 574246681 /nfs/dbraw/zinc/24/66/81/574246681.db2.gz HPVFGOSXDLBKEL-SMDDNHRTSA-N 0 0 278.371 2.666 20 10 CFCDRN O=C(NCc1ccccc1O)c1csc(C2CC2)n1 ZINC000748346528 574247935 /nfs/dbraw/zinc/24/79/35/574247935.db2.gz KELHAYMUCBJBKH-UHFFFAOYSA-N 0 0 274.345 2.656 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2c1CCC2 ZINC000748347337 574248340 /nfs/dbraw/zinc/24/83/40/574248340.db2.gz YPSZRYWRRSAHGC-UHFFFAOYSA-N 0 0 267.328 2.811 20 10 CFCDRN CCCCN(C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756576772 574250001 /nfs/dbraw/zinc/25/00/01/574250001.db2.gz OMZIOPFYNLBSBO-GFCCVEGCSA-N 0 0 268.376 2.914 20 10 CFCDRN C[C@H]([NH2+]CCNc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756613019 574251841 /nfs/dbraw/zinc/25/18/41/574251841.db2.gz YZZPPEOXYCKLRN-JTQLQIEISA-N 0 0 293.317 2.828 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756603314 574251934 /nfs/dbraw/zinc/25/19/34/574251934.db2.gz BCHJEDHORYFAPQ-RNCFNFMXSA-N 0 0 297.301 2.956 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@H]1Cc2ccccc21 ZINC000748461392 574253778 /nfs/dbraw/zinc/25/37/78/574253778.db2.gz XBPUCVLYAUJJKJ-CQSZACIVSA-N 0 0 282.343 2.531 20 10 CFCDRN Cc1ccsc1CNC(=O)NCc1ccccc1O ZINC000748461418 574253860 /nfs/dbraw/zinc/25/38/60/574253860.db2.gz XSRDEDMKLWPDAI-UHFFFAOYSA-N 0 0 276.361 2.762 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC=CC2)c1 ZINC000756646328 574255074 /nfs/dbraw/zinc/25/50/74/574255074.db2.gz NKNFLNPRGCRCKQ-JTQLQIEISA-N 0 0 261.321 2.548 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756650234 574255154 /nfs/dbraw/zinc/25/51/54/574255154.db2.gz UUBRQAXFNCMYQW-CUOATXAZSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648901 574255456 /nfs/dbraw/zinc/25/54/56/574255456.db2.gz ALWYIRCMMKXLJV-ONGXEEELSA-N 0 0 282.365 2.847 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCCc3c(F)cccc32)cn1 ZINC000748564322 574258000 /nfs/dbraw/zinc/25/80/00/574258000.db2.gz IFRUCDOSARCBNZ-BQYQJAHWSA-N 0 0 285.322 2.552 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCCc3c(F)cccc32)cn1 ZINC000748564323 574258044 /nfs/dbraw/zinc/25/80/44/574258044.db2.gz IFRUCDOSARCBNZ-FPLPWBNLSA-N 0 0 285.322 2.552 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C/c1cnn(C)c1 ZINC000748578733 574259224 /nfs/dbraw/zinc/25/92/24/574259224.db2.gz WFIMMQBEDHUNRC-IYNGYCSASA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756740187 574260065 /nfs/dbraw/zinc/26/00/65/574260065.db2.gz QGRRJGWFFDQOII-QMMMGPOBSA-N 0 0 267.279 2.553 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C2/CC[C@@H](C)C2)c1 ZINC000756763603 574260909 /nfs/dbraw/zinc/26/09/09/574260909.db2.gz CQOGMDDWYCREIL-HQQGHWSLSA-N 0 0 275.348 2.763 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756769827 574260980 /nfs/dbraw/zinc/26/09/80/574260980.db2.gz QYIGRVWMXMBECZ-AMIZOPFISA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cn[nH]c1 ZINC000756776460 574261714 /nfs/dbraw/zinc/26/17/14/574261714.db2.gz PIUSIQZJLSOFHR-YUMQZZPRSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780452 574262323 /nfs/dbraw/zinc/26/23/23/574262323.db2.gz UMUAIPYSBJTLKA-USZNOCQGSA-N 0 0 294.351 2.907 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1[O-] ZINC000756788839 574263582 /nfs/dbraw/zinc/26/35/82/574263582.db2.gz DEWFOLGPKATUPT-GFCCVEGCSA-N 0 0 289.350 2.917 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C/c1cnn(C)c1 ZINC000733944621 574264587 /nfs/dbraw/zinc/26/45/87/574264587.db2.gz LFTCVYFRGQOZAJ-CMDGGOBGSA-N 0 0 281.359 2.721 20 10 CFCDRN C[C@@H](NCc1cocn1)c1ccc(Br)cc1O ZINC000756831108 574265950 /nfs/dbraw/zinc/26/59/50/574265950.db2.gz LBGGLQIHBVUXDD-MRVPVSSYSA-N 0 0 297.152 2.994 20 10 CFCDRN CCN(CCOC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000741245807 574284446 /nfs/dbraw/zinc/28/44/46/574284446.db2.gz ROIWYTZMUKMOKN-INIZCTEOSA-N 0 0 279.380 2.717 20 10 CFCDRN COc1cc(CCNC(=O)C2=CC(=O)CS2)ccc1C ZINC000741299519 574286062 /nfs/dbraw/zinc/28/60/62/574286062.db2.gz UIJVYTUXMZBRAI-UHFFFAOYSA-N 0 0 291.372 2.743 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000749296309 574288624 /nfs/dbraw/zinc/28/86/24/574288624.db2.gz OHEKKXFPNBHRSA-NSHDSACASA-N 0 0 287.319 2.589 20 10 CFCDRN CCC1(C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000749391674 574292566 /nfs/dbraw/zinc/29/25/66/574292566.db2.gz NQXZMJUXJGMHOU-UHFFFAOYSA-N 0 0 260.381 2.867 20 10 CFCDRN CCN(CCOCC1CC1)c1ccc(OC)c(OC)c1 ZINC000741782812 574303346 /nfs/dbraw/zinc/30/33/46/574303346.db2.gz HYKWPNGPZXVPSL-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN Cn1cc(CCOc2ccc(N3CCCC3)cc2)cn1 ZINC000749792138 574309725 /nfs/dbraw/zinc/30/97/25/574309725.db2.gz XCWPNQZDTHSBTI-UHFFFAOYSA-N 0 0 271.364 2.642 20 10 CFCDRN Oc1ccc2ccncc2c1CN1CCC[C@@H]1c1ncon1 ZINC000750021000 574321368 /nfs/dbraw/zinc/32/13/68/574321368.db2.gz ZHGSROXSHNIYRJ-CQSZACIVSA-N 0 0 296.330 2.661 20 10 CFCDRN CN1CCCc2cc(CNc3ccc([N+](=O)[O-])nc3)ccc21 ZINC000735487428 574326573 /nfs/dbraw/zinc/32/65/73/574326573.db2.gz YFJDDYSMDJIMQY-UHFFFAOYSA-N 0 0 298.346 2.984 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2nc(C)cc(OC)n2)c1 ZINC000735487709 574326577 /nfs/dbraw/zinc/32/65/77/574326577.db2.gz WNTUMMUTPUIYSA-JTQLQIEISA-N 0 0 289.335 2.681 20 10 CFCDRN O=C(Cc1cnc2ccccc2c1)NCc1ccccc1O ZINC000735856028 574339236 /nfs/dbraw/zinc/33/92/36/574339236.db2.gz BWGMKLACFVBCMF-UHFFFAOYSA-N 0 0 292.338 2.799 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=S)NCc1cccn1C ZINC000743061927 574352901 /nfs/dbraw/zinc/35/29/01/574352901.db2.gz RGUXNEQSERDQDZ-DGCLKSJQSA-N 0 0 265.426 2.568 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]1CCOC1 ZINC000750820377 574357107 /nfs/dbraw/zinc/35/71/07/574357107.db2.gz PRLRGKCLFRSVAD-LBPRGKRZSA-N 0 0 295.354 2.592 20 10 CFCDRN O=C(c1c[nH]cn1)N(Cc1ccco1)Cc1ccccc1O ZINC000743431148 574363929 /nfs/dbraw/zinc/36/39/29/574363929.db2.gz SBDDENZAPBIORZ-UHFFFAOYSA-N 0 0 297.314 2.551 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743536976 574368300 /nfs/dbraw/zinc/36/83/00/574368300.db2.gz PBFLWXOSYXNTJT-WCQYABFASA-N 0 0 288.391 2.726 20 10 CFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nc(C(C)(C)C)no1 ZINC000743800286 574372281 /nfs/dbraw/zinc/37/22/81/574372281.db2.gz ULDVAIGLSPPWNF-ZETCQYMHSA-N 0 0 295.364 2.625 20 10 CFCDRN CCSCC[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000743807679 574372682 /nfs/dbraw/zinc/37/26/82/574372682.db2.gz RACGHUDLBXWRFO-MRVPVSSYSA-N 0 0 259.396 2.715 20 10 CFCDRN COCCN(CCC1CC1)c1ccc(OC)c(OC)c1 ZINC000751484447 574377983 /nfs/dbraw/zinc/37/79/83/574377983.db2.gz YHISZDNIFANHNC-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN CO[C@H](C)c1nc(CNC(=O)C2=CC(=O)CS2)cs1 ZINC000752824186 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ZINC000821545746 598212881 /nfs/dbraw/zinc/21/28/81/598212881.db2.gz NJKCQXZKCKHLPR-UHFFFAOYSA-N 0 0 275.279 2.519 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000050509852 600432680 /nfs/dbraw/zinc/43/26/80/600432680.db2.gz JQBGLAAIZOUJIY-INIZCTEOSA-N 0 0 285.343 2.919 20 10 CFCDRN O=C([O-])C[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1O ZINC000833248094 601007151 /nfs/dbraw/zinc/00/71/51/601007151.db2.gz KQGCRBJSLJIBJP-UHFFFAOYSA-N 0 0 283.755 2.732 20 10 CFCDRN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1O ZINC000828664495 601432892 /nfs/dbraw/zinc/43/28/92/601432892.db2.gz AVJJSPHXKHACEU-CYBMUJFWSA-N 0 0 271.744 2.779 20 10 CFCDRN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1O ZINC000830811109 601633878 /nfs/dbraw/zinc/63/38/78/601633878.db2.gz MVNYWOIYNBFYDO-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000235391102 601817076 /nfs/dbraw/zinc/81/70/76/601817076.db2.gz UJISWMXXHFLTFH-BXUZGUMPSA-N 0 0 285.343 2.698 20 10 CFCDRN 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/nfs/dbraw/zinc/86/78/65/618867865.db2.gz APMKJCOZGGQDNE-UHFFFAOYSA-N 0 0 257.289 2.757 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCCC2(C)C)c(O)c1O ZINC000182567574 618898067 /nfs/dbraw/zinc/89/80/67/618898067.db2.gz WTPZOWLDXLNTME-LLVKDONJSA-N 0 0 263.337 2.715 20 10 CFCDRN CO[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000309627952 618905312 /nfs/dbraw/zinc/90/53/12/618905312.db2.gz GYRWFBMPHFSFDX-VIFPVBQESA-N 0 0 288.185 2.588 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cc(OC)ccc1O ZINC000183390469 618905727 /nfs/dbraw/zinc/90/57/27/618905727.db2.gz OXSHIGHVQBDCJZ-UHFFFAOYSA-N 0 0 285.343 2.972 20 10 CFCDRN CN(Cc1cn(C)nc1C1CC1)c1ccc2c(c1)OCO2 ZINC000893460270 619004613 /nfs/dbraw/zinc/00/46/13/619004613.db2.gz FJOLYDCIAATJRH-UHFFFAOYSA-N 0 0 285.347 2.663 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CSC)c1 ZINC000066928260 619058124 /nfs/dbraw/zinc/05/81/24/619058124.db2.gz WAWSLMLVRCUBLL-UWVGGRQHSA-N 0 0 283.393 2.577 20 10 CFCDRN CCC(CC)CC(=O)NCc1cc(OC)ccc1O ZINC000150787771 619066023 /nfs/dbraw/zinc/06/60/23/619066023.db2.gz AZCYENPOIAJJQU-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C(F)F)C1 ZINC000840942796 619097554 /nfs/dbraw/zinc/09/75/54/619097554.db2.gz FWGIBJWVWLPGTQ-CQSZACIVSA-N 0 0 284.350 2.527 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CC(O)(c2ccccc2)C1 ZINC000840947194 619113610 /nfs/dbraw/zinc/11/36/10/619113610.db2.gz QRZLIOXDPIWBFM-UHFFFAOYSA-N 0 0 296.414 2.764 20 10 CFCDRN Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)c(O)c1O ZINC000182506087 625319558 /nfs/dbraw/zinc/31/95/58/625319558.db2.gz AQIXZTGUKNMLQO-LBPRGKRZSA-N 0 0 297.354 2.993 20 10 CFCDRN CSc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182525310 625322396 /nfs/dbraw/zinc/32/23/96/625322396.db2.gz GQSGRUJLJLWNBQ-UHFFFAOYSA-N 0 0 289.356 2.750 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000261572281 619171414 /nfs/dbraw/zinc/17/14/14/619171414.db2.gz SOPPITKGIFMNHD-DOMZBBRYSA-N 0 0 260.381 2.896 20 10 CFCDRN CCc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182550890 625324804 /nfs/dbraw/zinc/32/48/04/625324804.db2.gz VDKNJYNBHDHMKR-UHFFFAOYSA-N 0 0 271.316 2.590 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000840975232 619200280 /nfs/dbraw/zinc/20/02/80/619200280.db2.gz DYFCDSHTMPCPQN-CQSZACIVSA-N 0 0 286.423 2.515 20 10 CFCDRN CN(Cc1nc2ccccc2n1C)c1ccc2c(c1)OCO2 ZINC000178881257 619263799 /nfs/dbraw/zinc/26/37/99/619263799.db2.gz XLUZRJHXYOHLRN-UHFFFAOYSA-N 0 0 295.342 2.938 20 10 CFCDRN Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1C ZINC000726876371 619267080 /nfs/dbraw/zinc/26/70/80/619267080.db2.gz PVDDEMOATTYJTN-LFIBNONCSA-N 0 0 292.338 2.765 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1csc([N+](=O)[O-])c1 ZINC000048606786 619360330 /nfs/dbraw/zinc/36/03/30/619360330.db2.gz UVXOJZDZEUJKNC-UHFFFAOYSA-N 0 0 292.316 2.634 20 10 CFCDRN CC[C@H](CSC)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894497194 619400431 /nfs/dbraw/zinc/40/04/31/619400431.db2.gz VMAPZIIQNJURTQ-GFCCVEGCSA-N 0 0 299.436 2.983 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)o1 ZINC000894503145 619403640 /nfs/dbraw/zinc/40/36/40/619403640.db2.gz XVCCHYWVDZDXCP-JTQLQIEISA-N 0 0 277.320 2.853 20 10 CFCDRN CN(Cc1ncc[nH]1)Cc1ccc(Br)cc1O ZINC000894586485 619424780 /nfs/dbraw/zinc/42/47/80/619424780.db2.gz FNXPOPQMUZCIFQ-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN Oc1c(F)cc(F)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000894593347 619427486 /nfs/dbraw/zinc/42/74/86/619427486.db2.gz RLAKGZUDGLQSIK-ZDUSSCGKSA-N 0 0 291.297 2.594 20 10 CFCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894760091 619456802 /nfs/dbraw/zinc/45/68/02/619456802.db2.gz HQXURKCYFUUYSM-ABAIWWIYSA-N 0 0 296.361 2.729 20 10 CFCDRN COC(=O)c1c(CN[C@@H](C)CF)c2cc(F)ccc2n1C ZINC000894855411 619484240 /nfs/dbraw/zinc/48/42/40/619484240.db2.gz PJEFDJONXVQMHP-VIFPVBQESA-N 0 0 296.317 2.552 20 10 CFCDRN COc1ccc(Cn2cnc3c2CCCC3)c(O)c1OC ZINC000895542010 619550903 /nfs/dbraw/zinc/55/09/03/619550903.db2.gz CXCLEEJHFDUCCL-UHFFFAOYSA-N 0 0 288.347 2.533 20 10 CFCDRN C[C@@]1(Br)C[C@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895786067 619606701 /nfs/dbraw/zinc/60/67/01/619606701.db2.gz WXKRQUKEDFYQSF-GXFFZTMASA-N 0 0 282.181 2.881 20 10 CFCDRN Cc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(O)c1 ZINC000895817198 619614177 /nfs/dbraw/zinc/61/41/77/619614177.db2.gz HAJZANDGEJGBPV-KMFMINBZSA-N 0 0 291.391 2.517 20 10 CFCDRN Oc1cccc(F)c1CNc1cc(NCC2CC2)ncn1 ZINC000895832167 619619276 /nfs/dbraw/zinc/61/92/76/619619276.db2.gz CVVRISHOYHECHL-UHFFFAOYSA-N 0 0 288.326 2.755 20 10 CFCDRN CCn1ncc(NCc2ccc(OC)c(OC)c2O)c1C ZINC000895947410 619639203 /nfs/dbraw/zinc/63/92/03/619639203.db2.gz GPTXJZDLZDUVLB-UHFFFAOYSA-N 0 0 291.351 2.546 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896411433 619731145 /nfs/dbraw/zinc/73/11/45/619731145.db2.gz NRGZQSSENHWFQD-OCCSQVGLSA-N 0 0 285.746 2.842 20 10 CFCDRN COc1cc(C)cc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000896596839 619771651 /nfs/dbraw/zinc/77/16/51/619771651.db2.gz LCRYTXYKWGOKAP-OAHLLOKOSA-N 0 0 299.374 2.740 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2F)[C@H]1C ZINC000896636668 619780067 /nfs/dbraw/zinc/78/00/67/619780067.db2.gz FABZYXUFIGJLMJ-MJVIPROJSA-N 0 0 295.354 2.599 20 10 CFCDRN COC1(C[NH2+]Cc2c([O-])cccc2F)CCCC1 ZINC000896637955 619780591 /nfs/dbraw/zinc/78/05/91/619780591.db2.gz SNWPLJSTDCSMRG-UHFFFAOYSA-N 0 0 253.317 2.580 20 10 CFCDRN CC(C)OC1CC([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896638082 619780642 /nfs/dbraw/zinc/78/06/42/619780642.db2.gz UCBSQRONYCPRFR-UHFFFAOYSA-N 0 0 253.317 2.577 20 10 CFCDRN CC(C)(C)OC(=O)NCCC[NH2+]Cc1c([O-])cccc1F ZINC000896638496 619781113 /nfs/dbraw/zinc/78/11/13/619781113.db2.gz VGCXSGZBYFFVMK-UHFFFAOYSA-N 0 0 298.358 2.536 20 10 CFCDRN CCc1nn(C)c(CC)c1C[NH2+]Cc1c([O-])cccc1F ZINC000896640710 619781332 /nfs/dbraw/zinc/78/13/32/619781332.db2.gz MSEOAZRZXAZUCB-UHFFFAOYSA-N 0 0 291.370 2.679 20 10 CFCDRN COc1cc(C)cc(C[NH2+]Cc2c([O-])cccc2F)c1O ZINC000896640765 619781689 /nfs/dbraw/zinc/78/16/89/619781689.db2.gz JLUYMWQPUOXLSX-UHFFFAOYSA-N 0 0 291.322 2.844 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cnn(C)c1 ZINC000897080163 619928905 /nfs/dbraw/zinc/92/89/05/619928905.db2.gz OKVPSQLUCBRVBZ-CQSZACIVSA-N 0 0 295.333 2.891 20 10 CFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000928707663 619996481 /nfs/dbraw/zinc/99/64/81/619996481.db2.gz ABQFBJYUYUEMNY-ZETCQYMHSA-N 0 0 279.233 2.736 20 10 CFCDRN CCc1cccc(CN2CCc3c(ncn3CC)C2)c1O ZINC000897333078 619997741 /nfs/dbraw/zinc/99/77/41/619997741.db2.gz ACAWIWZUZCHMGT-UHFFFAOYSA-N 0 0 285.391 2.729 20 10 CFCDRN O=C(NC[C@H]1CCCC12CC2)C1=CC(=O)CS1 ZINC000863776514 620189012 /nfs/dbraw/zinc/18/90/12/620189012.db2.gz ZRDQGAMKBYEORA-SECBINFHSA-N 0 0 251.351 2.764 20 10 CFCDRN C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841748659 620212039 /nfs/dbraw/zinc/21/20/39/620212039.db2.gz MBQBXVHQEYGUIO-BMQDGWLCSA-N 0 0 296.798 2.740 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnn2ccccc12 ZINC000179207048 620215321 /nfs/dbraw/zinc/21/53/21/620215321.db2.gz IJKSOURHSYKKNJ-UHFFFAOYSA-N 0 0 279.343 2.906 20 10 CFCDRN Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000179206758 620215332 /nfs/dbraw/zinc/21/53/32/620215332.db2.gz SUHAWSIRWIUDHS-OAHLLOKOSA-N 0 0 298.386 2.921 20 10 CFCDRN Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000179224582 620216124 /nfs/dbraw/zinc/21/61/24/620216124.db2.gz BNWFECFVUKJUAT-HNNXBMFYSA-N 0 0 298.386 2.921 20 10 CFCDRN C[C@@H]1C[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897612618 620259167 /nfs/dbraw/zinc/25/91/67/620259167.db2.gz CEFUPBCVHMUJOL-OCAPTIKFSA-N 0 0 277.345 2.935 20 10 CFCDRN O=C(NOCCC1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897841016 620292237 /nfs/dbraw/zinc/29/22/37/620292237.db2.gz LRGGXLWOJMZSSR-UHFFFAOYSA-N 0 0 293.344 2.774 20 10 CFCDRN COc1ccc(O)c(CNc2cnn(C3CCC3)c2)c1 ZINC000897876711 620296059 /nfs/dbraw/zinc/29/60/59/620296059.db2.gz SLILICOCTZGUMT-UHFFFAOYSA-N 0 0 273.336 2.934 20 10 CFCDRN COc1cccc(CNc2cnn(C3CCC3)c2)c1O ZINC000897876773 620296240 /nfs/dbraw/zinc/29/62/40/620296240.db2.gz UMPXSUPVXHNBOM-UHFFFAOYSA-N 0 0 273.336 2.934 20 10 CFCDRN Cc1noc(C2(NCc3ccc(N(C)C)cc3C)CC2)n1 ZINC000897895835 620299637 /nfs/dbraw/zinc/29/96/37/620299637.db2.gz IRHQKPOUGMFGER-UHFFFAOYSA-N 0 0 286.379 2.531 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1OC ZINC000898071534 620333007 /nfs/dbraw/zinc/33/30/07/620333007.db2.gz NZDNJBSDJSFENU-TXEJJXNPSA-N 0 0 277.364 2.641 20 10 CFCDRN Cn1nc2c(c1C[NH2+]Cc1cccc(Cl)c1[O-])CCC2 ZINC000898216236 620346618 /nfs/dbraw/zinc/34/66/18/620346618.db2.gz WMDAESHPENAGPG-UHFFFAOYSA-N 0 0 291.782 2.558 20 10 CFCDRN Cc1ncccc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000898249613 620356950 /nfs/dbraw/zinc/35/69/50/620356950.db2.gz BUSKGYLRMQTHMP-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000898259918 620359677 /nfs/dbraw/zinc/35/96/77/620359677.db2.gz UQWCFPOSMOWPGP-IACUBPJLSA-N 0 0 274.364 2.688 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000899182287 620528585 /nfs/dbraw/zinc/52/85/85/620528585.db2.gz WGMPKGYRGPLVST-CHWSQXEVSA-N 0 0 289.375 2.919 20 10 CFCDRN CCN1C(=O)/C(=C/c2cnn(C3CCC3)c2)SC1=S ZINC000899331807 620546351 /nfs/dbraw/zinc/54/63/51/620546351.db2.gz CAGCZWJMLDEJOT-WDZFZDKYSA-N 0 0 293.417 2.829 20 10 CFCDRN CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)o1 ZINC000899340722 620546868 /nfs/dbraw/zinc/54/68/68/620546868.db2.gz KLBSEFGGHKVVND-CLFYSBASSA-N 0 0 283.374 2.899 20 10 CFCDRN Cn1c(/C=C2/c3cccc4c3N(CCC4)C2=O)cnc1Cl ZINC000901521941 620844751 /nfs/dbraw/zinc/84/47/51/620844751.db2.gz KRDWXBOCXOHOBV-JYRVWZFOSA-N 0 0 299.761 2.907 20 10 CFCDRN CCn1cc(COc2ccc3c(c2)c(C)c(C)n3C)nn1 ZINC000902754330 621165338 /nfs/dbraw/zinc/16/53/38/621165338.db2.gz ZYUVMNUGTRGXGX-UHFFFAOYSA-N 0 0 284.363 2.986 20 10 CFCDRN CC(C)O[C@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000903357551 621347626 /nfs/dbraw/zinc/34/76/26/621347626.db2.gz NMMSOZZIUSOZKK-LRDDRELGSA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903405177 621360664 /nfs/dbraw/zinc/36/06/64/621360664.db2.gz BILOLBCUPBUXFR-NOZJJQNGSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903435650 621373819 /nfs/dbraw/zinc/37/38/19/621373819.db2.gz FKUWLRVFBFFDEC-CUOATXAZSA-N 0 0 265.328 2.607 20 10 CFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1CCOCC1 ZINC000904501707 621602867 /nfs/dbraw/zinc/60/28/67/621602867.db2.gz WSFKSDYQJWPLMF-UHFFFAOYSA-N 0 0 291.395 2.843 20 10 CFCDRN COc1ccccc1NC[C@H](O)C[C@H](O)c1ccccc1 ZINC000905298801 621744654 /nfs/dbraw/zinc/74/46/54/621744654.db2.gz GETPFDRIHWESSI-ZBFHGGJFSA-N 0 0 287.359 2.592 20 10 CFCDRN CC(C)Cc1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905407790 621760677 /nfs/dbraw/zinc/76/06/77/621760677.db2.gz KLBUYGYZIATCEO-UHFFFAOYSA-N 0 0 283.278 2.864 20 10 CFCDRN Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000905740576 621841961 /nfs/dbraw/zinc/84/19/61/621841961.db2.gz KVVAXKWDYOQYDK-KRWDZBQOSA-N 0 0 297.402 2.952 20 10 CFCDRN COc1cc(C)cc(CN2CCn3cccc3C2)c1O ZINC000905744424 621843828 /nfs/dbraw/zinc/84/38/28/621843828.db2.gz HLFLKJNSSMLVCV-UHFFFAOYSA-N 0 0 272.348 2.527 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000043434068 622101826 /nfs/dbraw/zinc/10/18/26/622101826.db2.gz ZOHNRRLSYZPAJP-ZDUSSCGKSA-N 0 0 265.353 2.593 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](O)CC ZINC000908044793 622190612 /nfs/dbraw/zinc/19/06/12/622190612.db2.gz GKCKLJGWQFDGGF-ZFWWWQNUSA-N 0 0 293.407 2.928 20 10 CFCDRN CO[C@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000155411233 622210295 /nfs/dbraw/zinc/21/02/95/622210295.db2.gz WMGWMKABIHIZMP-GFCCVEGCSA-N 0 0 288.347 2.681 20 10 CFCDRN CC(C)(C)CS(=O)(=O)NCc1cccc(Cl)c1O ZINC000908328826 622220655 /nfs/dbraw/zinc/22/06/55/622220655.db2.gz NGAKNCNZZCSJFC-UHFFFAOYSA-N 0 0 291.800 2.511 20 10 CFCDRN CC[C@@H](COCC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000833434151 625567626 /nfs/dbraw/zinc/56/76/26/625567626.db2.gz NKBJSRONYKDPGO-ZETCQYMHSA-N 0 0 297.298 2.541 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1(c2ccccc2)CCC1 ZINC000910951338 622489222 /nfs/dbraw/zinc/48/92/22/622489222.db2.gz FQVQMVDWKJISEY-UHFFFAOYSA-N 0 0 297.354 2.836 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]1C1CCCCC1 ZINC000910951228 622489263 /nfs/dbraw/zinc/48/92/63/622489263.db2.gz PMJFIPQVTYYDFZ-GJZGRUSLSA-N 0 0 289.375 2.930 20 10 CFCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910950625 622489321 /nfs/dbraw/zinc/48/93/21/622489321.db2.gz YTWYNVUNFOLFFL-JTQLQIEISA-N 0 0 265.353 2.786 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCc2ccccc21 ZINC000910951622 622489363 /nfs/dbraw/zinc/48/93/63/622489363.db2.gz IZOWGKRBQJIBNG-MRXNPFEDSA-N 0 0 297.354 2.834 20 10 CFCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944903 622491658 /nfs/dbraw/zinc/49/16/58/622491658.db2.gz POJKIPYKWIERPC-BXUZGUMPSA-N 0 0 277.364 2.930 20 10 CFCDRN CC(C)c1occc1C(=O)NCc1ccc(O)cc1O ZINC000910945905 622491933 /nfs/dbraw/zinc/49/19/33/622491933.db2.gz DLZUVTSDOUOLQJ-UHFFFAOYSA-N 0 0 275.304 2.744 20 10 CFCDRN CCCC[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910945939 622491955 /nfs/dbraw/zinc/49/19/55/622491955.db2.gz FMQZOJIHFXZKGS-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1ccc(O)cc1O ZINC000910945968 622492000 /nfs/dbraw/zinc/49/20/00/622492000.db2.gz GKTJPAJSWUPJRA-VIFPVBQESA-N 0 0 285.290 2.540 20 10 CFCDRN CC1(C)CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910948134 622492300 /nfs/dbraw/zinc/49/23/00/622492300.db2.gz VAKJINWTXMNJRY-LBPRGKRZSA-N 0 0 263.337 2.540 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(O)cc1O)C(F)(F)F ZINC000910946790 622492338 /nfs/dbraw/zinc/49/23/38/622492338.db2.gz UXMVMTDCAUDCOC-UHFFFAOYSA-N 0 0 291.269 2.693 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000911660143 622531766 /nfs/dbraw/zinc/53/17/66/622531766.db2.gz HBGZMMUGCZACJY-FZMZJTMJSA-N 0 0 262.353 2.659 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000911660902 622531772 /nfs/dbraw/zinc/53/17/72/622531772.db2.gz OHTFNDWRTJNPDB-KGLIPLIRSA-N 0 0 260.337 2.555 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000911661879 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CFCDRN C[C@H](CN(C)C(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000831965846 625195495 /nfs/dbraw/zinc/19/54/95/625195495.db2.gz GZAZWVFXYCAYSU-LLVKDONJSA-N 0 0 289.404 2.530 20 10 CFCDRN Cc1cc(CC(=O)N2CC(F)C2)c(C)n1-c1ccccc1 ZINC000832039076 625210204 /nfs/dbraw/zinc/21/02/04/625210204.db2.gz CHDPLSRKSXLNRS-UHFFFAOYSA-N 0 0 286.350 2.817 20 10 CFCDRN Cc1cccc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000181846594 625224909 /nfs/dbraw/zinc/22/49/09/625224909.db2.gz OWKXHOZGZVWVJI-UHFFFAOYSA-N 0 0 271.320 2.760 20 10 CFCDRN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C2=CC(=O)CS2)C1 ZINC000832189391 625240530 /nfs/dbraw/zinc/24/05/30/625240530.db2.gz IAMCARWUFCTUOZ-BONVTDFDSA-N 0 0 297.420 2.761 20 10 CFCDRN CCN(CC)C(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000101567530 625738607 /nfs/dbraw/zinc/73/86/07/625738607.db2.gz HHZZDKQPQURYAQ-UHFFFAOYSA-N 0 0 296.386 2.918 20 10 CFCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185605517 625748609 /nfs/dbraw/zinc/74/86/09/625748609.db2.gz XCGOKQZTRIUSDP-VXGBXAGGSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)cc1[O-] ZINC000834831939 625890868 /nfs/dbraw/zinc/89/08/68/625890868.db2.gz LTTHTTJJTDVCKI-STQMWFEESA-N 0 0 275.327 2.914 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(F)cc(F)c1[O-] ZINC000834871343 625905998 /nfs/dbraw/zinc/90/59/98/625905998.db2.gz NKFFUBWHTVVLAJ-SECBINFHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(F)cc(F)c1[O-] ZINC000834879031 625907393 /nfs/dbraw/zinc/90/73/93/625907393.db2.gz VVELQLWGLTXYPQ-VHSXEESVSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834895619 625912608 /nfs/dbraw/zinc/91/26/08/625912608.db2.gz CJVGSRQYYNBGQA-UWVGGRQHSA-N 0 0 295.333 2.686 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834895622 625912797 /nfs/dbraw/zinc/91/27/97/625912797.db2.gz CJVGSRQYYNBGQA-ZJUUUORDSA-N 0 0 295.333 2.686 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000834905188 625917616 /nfs/dbraw/zinc/91/76/16/625917616.db2.gz RVLYEVUZKUQFAO-YHAQOWFVSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834906949 625918867 /nfs/dbraw/zinc/91/88/67/625918867.db2.gz UWWYPWGBSGSCIZ-CHIMOYNISA-N 0 0 276.336 2.997 20 10 CFCDRN COc1cccnc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834906952 625919443 /nfs/dbraw/zinc/91/94/43/625919443.db2.gz UXPQZQJMQQMLDD-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc(Cl)c1[O-] ZINC000834910705 625920101 /nfs/dbraw/zinc/92/01/01/625920101.db2.gz YDRFVMWAYNTBJV-WFASDCNBSA-N 0 0 296.798 2.755 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834915631 625921539 /nfs/dbraw/zinc/92/15/39/625921539.db2.gz RJNOHDHPFVXDOU-CKYFFXLPSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000834915266 625921731 /nfs/dbraw/zinc/92/17/31/625921731.db2.gz PMSFMAIBVNDXMK-WCABBAIRSA-N 0 0 271.307 2.889 20 10 CFCDRN C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000770664930 625947432 /nfs/dbraw/zinc/94/74/32/625947432.db2.gz AETBEZZGOZUWJT-OTDNITJGSA-N 0 0 273.735 2.601 20 10 CFCDRN CCc1[nH]nc(Cl)c1CNCc1ccc2c(c1)CCO2 ZINC000921649860 626045765 /nfs/dbraw/zinc/04/57/65/626045765.db2.gz KRJVDROLPDTSEO-UHFFFAOYSA-N 0 0 291.782 2.850 20 10 CFCDRN CN(C)c1cc(F)c(CNc2ncccc2CO)cc1F ZINC000922290265 626260813 /nfs/dbraw/zinc/26/08/13/626260813.db2.gz RRBDFECKPSOGOY-UHFFFAOYSA-N 0 0 293.317 2.530 20 10 CFCDRN c1cnc([C@@H](NCc2ccc3c(c2)CCO3)C2CC2)nc1 ZINC000922579948 626316301 /nfs/dbraw/zinc/31/63/01/626316301.db2.gz NEODDEMDFOHNBU-INIZCTEOSA-N 0 0 281.359 2.652 20 10 CFCDRN CCn1cnnc1NCc1c(O)cc(C)cc1Cl ZINC000922661327 626336823 /nfs/dbraw/zinc/33/68/23/626336823.db2.gz HSBKPURGWKVUIB-UHFFFAOYSA-N 0 0 266.732 2.578 20 10 CFCDRN Cc1cc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)nn1C ZINC000922690630 626342557 /nfs/dbraw/zinc/34/25/57/626342557.db2.gz POBJKTWZPIVXHJ-UHFFFAOYSA-N 0 0 297.761 2.559 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922723693 626353177 /nfs/dbraw/zinc/35/31/77/626353177.db2.gz ONSZKFZXCHHMMF-SUHUHFCYSA-N 0 0 279.767 2.726 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCCO1 ZINC000922818923 626373235 /nfs/dbraw/zinc/37/32/35/626373235.db2.gz URIDUEKJLGFKNQ-CQSZACIVSA-N 0 0 271.307 2.719 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2COC(C)(C)O2)cc1OC ZINC000851734361 634499058 /nfs/dbraw/zinc/49/90/58/634499058.db2.gz FYUKXKNEHOTOFU-ZDUSSCGKSA-N 0 0 295.379 2.682 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C[NH2+]1 ZINC000086466909 626397134 /nfs/dbraw/zinc/39/71/34/626397134.db2.gz MZSVDEYOWAPDEF-IUCAKERBSA-N 0 0 289.206 2.881 20 10 CFCDRN Cn1nc(CNCc2ccc3c(c2)CCCO3)cc1C1CC1 ZINC000922956608 626433024 /nfs/dbraw/zinc/43/30/24/626433024.db2.gz XOROBSMJDVDGPP-UHFFFAOYSA-N 0 0 297.402 2.912 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000923040050 626445815 /nfs/dbraw/zinc/44/58/15/626445815.db2.gz IEHJWONEKSPUHP-GMTAPVOTSA-N 0 0 278.327 2.519 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CC[C@@H]3C3CC3)ccc21 ZINC000838031900 626483826 /nfs/dbraw/zinc/48/38/26/626483826.db2.gz QNNBJNVIDOYHKE-QGZVFWFLSA-N 0 0 299.418 2.763 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)c(O)c1O ZINC000838036013 626483915 /nfs/dbraw/zinc/48/39/15/626483915.db2.gz FHZYGLILIQQVLV-XHDPSFHLSA-N 0 0 263.337 2.571 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cnc(-c2ccco2)s1 ZINC000788101111 626492537 /nfs/dbraw/zinc/49/25/37/626492537.db2.gz ZWJCFXAPQTZRHR-YWEYNIOJSA-N 0 0 294.382 2.892 20 10 CFCDRN CC(=O)C(=O)COC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000838415492 626496632 /nfs/dbraw/zinc/49/66/32/626496632.db2.gz DJXBWXBIEUCFQE-UHFFFAOYSA-N 0 0 296.750 2.610 20 10 CFCDRN CC/C=C\CNC(=O)NCCCSc1nccs1 ZINC000838513876 626499970 /nfs/dbraw/zinc/49/99/70/626499970.db2.gz LGKNBTWEXWBYHJ-ARJAWSKDSA-N 0 0 285.438 2.891 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000838764662 626504882 /nfs/dbraw/zinc/50/48/82/626504882.db2.gz OSYNWIRCENKENM-HOCLYGCPSA-N 0 0 276.380 2.968 20 10 CFCDRN CN(Cc1ccc2c(n1)CCC2)c1ccc2c(c1)OCO2 ZINC000839006075 626519914 /nfs/dbraw/zinc/51/99/14/626519914.db2.gz YIUQGYYMZPGHBA-UHFFFAOYSA-N 0 0 282.343 2.935 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2cnccn2)cc1 ZINC000839063450 626522642 /nfs/dbraw/zinc/52/26/42/626522642.db2.gz RTTHMAJYUHDLPX-UHFFFAOYSA-N 0 0 257.337 2.900 20 10 CFCDRN Oc1ccc(Br)cc1CN1CC(C(F)F)C1 ZINC000839140941 626528458 /nfs/dbraw/zinc/52/84/58/626528458.db2.gz KPDSSRCNSMVVFR-UHFFFAOYSA-N 0 0 292.123 2.852 20 10 CFCDRN CCN(CC)c1ccc(CN2CC(OC(F)F)C2)cc1 ZINC000839143735 626528816 /nfs/dbraw/zinc/52/88/16/626528816.db2.gz KENYTSYVIYRKAB-UHFFFAOYSA-N 0 0 284.350 2.956 20 10 CFCDRN COc1ccc(CN[C@H](C)c2ccn(C)n2)cc1C ZINC000839189640 626530418 /nfs/dbraw/zinc/53/04/18/626530418.db2.gz BCQWHPKZVBDEPV-GFCCVEGCSA-N 0 0 259.353 2.588 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839191588 626530830 /nfs/dbraw/zinc/53/08/30/626530830.db2.gz ICTHCFOPJPSXMI-YUMQZZPRSA-N 0 0 273.760 2.874 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@]2(C)CC=CCC2)ccc1[N+](=O)[O-] ZINC000839193745 626531068 /nfs/dbraw/zinc/53/10/68/626531068.db2.gz XBIVQRRLNWVJES-HNNXBMFYSA-N 0 0 292.335 2.897 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1ncc(C)o1)CCC2 ZINC000839656080 626549704 /nfs/dbraw/zinc/54/97/04/626549704.db2.gz GEPRLLUGIPGWIV-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN CCN(C)c1ccc(CN[C@H](C)c2csnn2)cc1 ZINC000839661477 626550214 /nfs/dbraw/zinc/55/02/14/626550214.db2.gz CIEPYLUHQIIEBF-LLVKDONJSA-N 0 0 276.409 2.845 20 10 CFCDRN Cc1csc(C(C)(C)NC(=O)C2=CC(=O)CS2)n1 ZINC000839755212 626554516 /nfs/dbraw/zinc/55/45/16/626554516.db2.gz GMMHNVVBKSWGAV-UHFFFAOYSA-N 0 0 282.390 2.884 20 10 CFCDRN O=C(NC12CCC(CC1)CC2)C1=CC(=O)CS1 ZINC000839781915 626555227 /nfs/dbraw/zinc/55/52/27/626555227.db2.gz CFGWKZUUSBRGPL-UHFFFAOYSA-N 0 0 251.351 2.906 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOC1 ZINC000757636045 626556988 /nfs/dbraw/zinc/55/69/88/626556988.db2.gz FCDGSNMDNQGBOM-GRYCIOLGSA-N 0 0 294.351 2.766 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCOC2)cc1Cl ZINC000757858145 626565652 /nfs/dbraw/zinc/56/56/52/626565652.db2.gz XZIZZWGTIZXKHM-JTQLQIEISA-N 0 0 255.745 2.821 20 10 CFCDRN CCc1noc(C)c1COC(=O)c1ccc(C)c(O)c1O ZINC000758009015 626572628 /nfs/dbraw/zinc/57/26/28/626572628.db2.gz JVGKQBBWRSEOFY-UHFFFAOYSA-N 0 0 291.303 2.622 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000759563674 626671891 /nfs/dbraw/zinc/67/18/91/626671891.db2.gz ZABXMTNQMABLAU-UWVGGRQHSA-N 0 0 285.438 2.581 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000759563815 626671935 /nfs/dbraw/zinc/67/19/35/626671935.db2.gz ZABXMTNQMABLAU-ZJUUUORDSA-N 0 0 285.438 2.581 20 10 CFCDRN CC1CC(NC(=O)NCCCSc2nccs2)C1 ZINC000759586172 626673802 /nfs/dbraw/zinc/67/38/02/626673802.db2.gz ZHNOVTPBJRCNLU-UHFFFAOYSA-N 0 0 285.438 2.723 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1C=CCCC1 ZINC000759595278 626674116 /nfs/dbraw/zinc/67/41/16/626674116.db2.gz JSJRUTQNXKXNIZ-UPZNUWHASA-N 0 0 260.289 2.763 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1CC=CC1 ZINC000759727000 626687593 /nfs/dbraw/zinc/68/75/93/626687593.db2.gz JYZSZRYVWUDBGQ-UHFFFAOYSA-N 0 0 285.391 2.805 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000759927936 626702514 /nfs/dbraw/zinc/70/25/14/626702514.db2.gz IWTQCMNTUVWCSX-YHYXMXQVSA-N 0 0 299.374 2.884 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ncc(C)cn1 ZINC000760807667 626773485 /nfs/dbraw/zinc/77/34/85/626773485.db2.gz IAEIXCQYGSLVNC-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN CCN(CCC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000760984751 626789817 /nfs/dbraw/zinc/78/98/17/626789817.db2.gz TUXXBLKGUUXUGA-SOFGYWHQSA-N 0 0 275.348 2.760 20 10 CFCDRN CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C)c(O)c1O ZINC000761022130 626792254 /nfs/dbraw/zinc/79/22/54/626792254.db2.gz VBVFSTYCGNCIBW-QMMMGPOBSA-N 0 0 291.269 2.867 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000851780362 634525065 /nfs/dbraw/zinc/52/50/65/634525065.db2.gz HFYORJLFTCXKAM-XJKSGUPXSA-N 0 0 279.380 2.573 20 10 CFCDRN CCC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761580065 626848598 /nfs/dbraw/zinc/84/85/98/626848598.db2.gz SGTKYXUCELFUID-RISCZKNCSA-N 0 0 289.379 2.534 20 10 CFCDRN Cc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)nc1 ZINC000761785486 626858727 /nfs/dbraw/zinc/85/87/27/626858727.db2.gz IQNYQSSNVHEQQB-WDZFZDKYSA-N 0 0 276.386 2.754 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCSC2)cc1 ZINC000761974708 626875983 /nfs/dbraw/zinc/87/59/83/626875983.db2.gz XKYQWJUFIBKVML-AWEZNQCLSA-N 0 0 292.448 2.902 20 10 CFCDRN Cn1cc(CSc2ncc(C(C)(C)C)s2)nn1 ZINC000762195956 626902608 /nfs/dbraw/zinc/90/26/08/626902608.db2.gz NFSRVLLLGVUJMP-UHFFFAOYSA-N 0 0 268.411 2.861 20 10 CFCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000762229631 626905619 /nfs/dbraw/zinc/90/56/19/626905619.db2.gz SFIILSRFELJHLO-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(OC)c(C)c1)C(=O)OC ZINC000762790316 626937670 /nfs/dbraw/zinc/93/76/70/626937670.db2.gz KILACMACEGPKER-MRXNPFEDSA-N 0 0 279.380 2.825 20 10 CFCDRN CC(C)Oc1nccnc1NCc1ccccc1O ZINC000762795334 626938222 /nfs/dbraw/zinc/93/82/22/626938222.db2.gz UILDVQKNEZCEMO-UHFFFAOYSA-N 0 0 259.309 2.582 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccsc1 ZINC000762958086 626952761 /nfs/dbraw/zinc/95/27/61/626952761.db2.gz SNBQORHUOCAYME-UHFFFAOYSA-N 0 0 278.333 2.524 20 10 CFCDRN COc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763161965 626967225 /nfs/dbraw/zinc/96/72/25/626967225.db2.gz BDIRKIFRDBHQLG-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN C/C=C\C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OCC ZINC000763360281 626982285 /nfs/dbraw/zinc/98/22/85/626982285.db2.gz CXIDCCLRKZPDOZ-GMNBZTITSA-N 0 0 290.407 2.740 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1Cl ZINC000763700457 627007195 /nfs/dbraw/zinc/00/71/95/627007195.db2.gz SBEVJFAUQJKYNE-NSHDSACASA-N 0 0 295.766 2.881 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC=C(F)C1 ZINC000764722941 627088255 /nfs/dbraw/zinc/08/82/55/627088255.db2.gz CLYVDFYIXQSWKW-UHFFFAOYSA-N 0 0 291.370 2.830 20 10 CFCDRN Cc1cnc(NCc2cccc(Br)c2O)nc1 ZINC000764934862 627107629 /nfs/dbraw/zinc/10/76/29/627107629.db2.gz OYUMVPMOUUUZHU-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN O=C1CC[C@H](CN2CCCc3cc(OC(F)F)ccc32)O1 ZINC000851825349 634548995 /nfs/dbraw/zinc/54/89/95/634548995.db2.gz ZIEWDOCHWKMPJF-GFCCVEGCSA-N 0 0 297.301 2.746 20 10 CFCDRN O=C(N[C@@H](CCO)C1CCCCC1)C1=CC(=O)CS1 ZINC000765235416 627126002 /nfs/dbraw/zinc/12/60/02/627126002.db2.gz LTLQDVFRPDFPSN-LBPRGKRZSA-N 0 0 283.393 2.515 20 10 CFCDRN C[C@@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000765655116 627153077 /nfs/dbraw/zinc/15/30/77/627153077.db2.gz KWMVYYAWKMUNAQ-ZIAGYGMSSA-N 0 0 290.407 2.767 20 10 CFCDRN CC1(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000765730267 627155540 /nfs/dbraw/zinc/15/55/40/627155540.db2.gz RPAJGCAHXJVIFA-UHFFFAOYSA-N 0 0 284.153 2.571 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000766680766 627214592 /nfs/dbraw/zinc/21/45/92/627214592.db2.gz PRAQSTFSYKRJCY-GFCCVEGCSA-N 0 0 287.359 2.879 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)cn1 ZINC000767945392 627297469 /nfs/dbraw/zinc/29/74/69/627297469.db2.gz DUYRNVKWXPWQCU-UHFFFAOYSA-N 0 0 298.390 2.508 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CC2(F)F)c(OC)c1 ZINC000851864650 634562810 /nfs/dbraw/zinc/56/28/10/634562810.db2.gz GZIBUCGXANNSJU-CYBMUJFWSA-N 0 0 287.306 2.564 20 10 CFCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000768257615 627329006 /nfs/dbraw/zinc/32/90/06/627329006.db2.gz QRCNMWPMZVSCIR-NWDGAFQWSA-N 0 0 283.393 2.777 20 10 CFCDRN CC(C)(O)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000768266114 627329544 /nfs/dbraw/zinc/32/95/44/627329544.db2.gz FNUYMBZNCHKNBX-UHFFFAOYSA-N 0 0 287.315 2.578 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)COC2 ZINC000768922132 627387002 /nfs/dbraw/zinc/38/70/02/627387002.db2.gz MMQIJUOLIFGOHX-UHFFFAOYSA-N 0 0 284.315 2.744 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCC(=O)O1 ZINC000851885129 634571970 /nfs/dbraw/zinc/57/19/70/634571970.db2.gz XGHKTSWMXFGALH-AWEZNQCLSA-N 0 0 275.348 2.544 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCS[C@H](C)C2)c(O)c1 ZINC000769320399 627423725 /nfs/dbraw/zinc/42/37/25/627423725.db2.gz NCDWWMUWZYSBMW-LLVKDONJSA-N 0 0 267.394 2.728 20 10 CFCDRN C[C@@H](COc1ccccc1)C(=O)NCc1ccccc1O ZINC000769366235 627428754 /nfs/dbraw/zinc/42/87/54/627428754.db2.gz WRBQYOOFOVPMLS-ZDUSSCGKSA-N 0 0 285.343 2.724 20 10 CFCDRN CCOc1ccc(CNc2ccc(OC)cn2)c(O)c1 ZINC000769406848 627435360 /nfs/dbraw/zinc/43/53/60/627435360.db2.gz UAJRRMAACDOTJS-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN COc1cccc(CNC(=O)C2(C)CCCC2)c1O ZINC000769499220 627448241 /nfs/dbraw/zinc/44/82/41/627448241.db2.gz RCVRIRYUJQCJNE-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN CC1(CNC(=O)C2=CC(=O)CS2)Cc2ccccc2C1 ZINC000770404284 627520263 /nfs/dbraw/zinc/52/02/63/627520263.db2.gz LLZRCHIMHCMJNE-UHFFFAOYSA-N 0 0 287.384 2.989 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nc(C)cc(OC)n1 ZINC000770468957 627524870 /nfs/dbraw/zinc/52/48/70/627524870.db2.gz MQKLRLNMVOEFLC-UHFFFAOYSA-N 0 0 287.363 2.916 20 10 CFCDRN COc1cccc(CNC(=O)CCCC(F)(F)F)c1O ZINC000770793734 627549163 /nfs/dbraw/zinc/54/91/63/627549163.db2.gz XYEXRSWESUXLOB-UHFFFAOYSA-N 0 0 291.269 2.750 20 10 CFCDRN COCc1cc(NCCCSc2nccs2)ncn1 ZINC000771240467 627587448 /nfs/dbraw/zinc/58/74/48/627587448.db2.gz JVNMHEQKUPGNSR-UHFFFAOYSA-N 0 0 296.421 2.674 20 10 CFCDRN CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000771417148 627603295 /nfs/dbraw/zinc/60/32/95/627603295.db2.gz LFQQFPVQDFITBF-INIZCTEOSA-N 0 0 291.391 2.558 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000771529883 627612053 /nfs/dbraw/zinc/61/20/53/627612053.db2.gz ZNZSGOBKFGXEKU-LLVKDONJSA-N 0 0 274.368 2.637 20 10 CFCDRN COc1cccc(O)c1C[N@H+](C)Cc1cccc(O)c1 ZINC000771935743 627650619 /nfs/dbraw/zinc/65/06/19/627650619.db2.gz UMQCJCJUTOXITM-UHFFFAOYSA-N 0 0 273.332 2.738 20 10 CFCDRN Cc1ccc(C(=O)OCc2ncc(Cl)s2)c(O)c1O ZINC000772067879 627669517 /nfs/dbraw/zinc/66/95/17/627669517.db2.gz CJNXOIKBPWXADO-UHFFFAOYSA-N 0 0 299.735 2.873 20 10 CFCDRN C[C@@H](Nc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000772299714 627699167 /nfs/dbraw/zinc/69/91/67/627699167.db2.gz GISVMFHUIOXMGI-GFCCVEGCSA-N 0 0 285.395 2.782 20 10 CFCDRN COCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772301386 627699349 /nfs/dbraw/zinc/69/93/49/627699349.db2.gz TWLIVNUDZVEYRJ-LBPRGKRZSA-N 0 0 286.379 2.862 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000772995415 627766097 /nfs/dbraw/zinc/76/60/97/627766097.db2.gz BKLROXSXSOTZFB-LLVKDONJSA-N 0 0 273.336 2.540 20 10 CFCDRN COCCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772998161 627766121 /nfs/dbraw/zinc/76/61/21/627766121.db2.gz IRYOKSSUBUXRKP-ZDUSSCGKSA-N 0 0 278.396 2.747 20 10 CFCDRN CO[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772998309 627766326 /nfs/dbraw/zinc/76/63/26/627766326.db2.gz JCFQVARHJKYMCO-STQMWFEESA-N 0 0 278.396 2.745 20 10 CFCDRN CC(C)OCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773007416 627767864 /nfs/dbraw/zinc/76/78/64/627767864.db2.gz IRWSGPOTSLNUBA-CYBMUJFWSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1C ZINC000773024554 627771142 /nfs/dbraw/zinc/77/11/42/627771142.db2.gz LNKXGTGYSGKGOI-ZDUSSCGKSA-N 0 0 285.391 2.891 20 10 CFCDRN CC(C)CCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773085649 627781407 /nfs/dbraw/zinc/78/14/07/627781407.db2.gz ZVJUEMCDENUWAP-ZDUSSCGKSA-N 0 0 298.452 2.779 20 10 CFCDRN CCN(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773086620 627781909 /nfs/dbraw/zinc/78/19/09/627781909.db2.gz FEADNGLNKPWGHO-LBPRGKRZSA-N 0 0 263.385 2.865 20 10 CFCDRN CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773128960 627786233 /nfs/dbraw/zinc/78/62/33/627786233.db2.gz IZJNCEBVNCWDRU-VXGBXAGGSA-N 0 0 263.385 2.911 20 10 CFCDRN CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773128959 627786728 /nfs/dbraw/zinc/78/67/28/627786728.db2.gz IZJNCEBVNCWDRU-RYUDHWBXSA-N 0 0 263.385 2.911 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2ccn(C)n2)cc1 ZINC000773134490 627787013 /nfs/dbraw/zinc/78/70/13/627787013.db2.gz XVZOQADNSNQVJH-ZDUSSCGKSA-N 0 0 272.396 2.727 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2ccn(C)n2)cc1 ZINC000773134489 627787043 /nfs/dbraw/zinc/78/70/43/627787043.db2.gz XVZOQADNSNQVJH-CYBMUJFWSA-N 0 0 272.396 2.727 20 10 CFCDRN CO[C@H](C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773271156 627800865 /nfs/dbraw/zinc/80/08/65/627800865.db2.gz CGBJKDQIRZOIAC-OLZOCXBDSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000773337788 627807840 /nfs/dbraw/zinc/80/78/40/627807840.db2.gz KZKOUFWQEIPFKY-AAEUAGOBSA-N 0 0 293.436 2.618 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C)s1 ZINC000773410134 627815651 /nfs/dbraw/zinc/81/56/51/627815651.db2.gz RJCQTBIWJDZYLP-UHFFFAOYSA-N 0 0 275.377 2.808 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccco1 ZINC000773748237 627853540 /nfs/dbraw/zinc/85/35/40/627853540.db2.gz IJXHLMKZTOJWEQ-GHMZBOCLSA-N 0 0 289.331 2.542 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)C1CC1 ZINC000773739501 627853709 /nfs/dbraw/zinc/85/37/09/627853709.db2.gz AWSYNIYVPMHZNV-QWRGUYRKSA-N 0 0 277.364 2.581 20 10 CFCDRN CS[C@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773743709 627853758 /nfs/dbraw/zinc/85/37/58/627853758.db2.gz IECNUGCIVHIXAT-GHMZBOCLSA-N 0 0 297.420 2.677 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC12CCCC2 ZINC000773768341 627857710 /nfs/dbraw/zinc/85/77/10/627857710.db2.gz RUOJGSZDABHVCT-DGCLKSJQSA-N 0 0 289.375 2.725 20 10 CFCDRN CCN(C)c1ccc(CN2CCn3cc(C)nc3C2)cc1 ZINC000773837190 627863268 /nfs/dbraw/zinc/86/32/68/627863268.db2.gz ZLNOIEUFZTUKPA-UHFFFAOYSA-N 0 0 284.407 2.663 20 10 CFCDRN CSCCNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774250445 627908294 /nfs/dbraw/zinc/90/82/94/627908294.db2.gz NIHDKGRNIROYOC-LLVKDONJSA-N 0 0 297.493 2.641 20 10 CFCDRN COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cn1 ZINC000774750281 627957943 /nfs/dbraw/zinc/95/79/43/627957943.db2.gz CLFYNZBVDNOJCV-UHFFFAOYSA-N 0 0 299.374 2.555 20 10 CFCDRN COc1cc(CN2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000774750262 627957992 /nfs/dbraw/zinc/95/79/92/627957992.db2.gz IKDXQCUDZKJVJM-UHFFFAOYSA-N 0 0 299.374 2.555 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC(F)(F)C(F)F ZINC000774749372 627958070 /nfs/dbraw/zinc/95/80/70/627958070.db2.gz FJRVXNBQUUIUFM-UHFFFAOYSA-N 0 0 292.276 2.852 20 10 CFCDRN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(O)cc1F ZINC000775289097 628007395 /nfs/dbraw/zinc/00/73/95/628007395.db2.gz QOIHRWWVXQSUTN-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN C[C@H](NC(=O)Cc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000775407014 628021899 /nfs/dbraw/zinc/02/18/99/628021899.db2.gz QOUHDXLOEPCVTG-ZDUSSCGKSA-N 0 0 298.386 2.878 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnc(C)c(C)n2)cc1 ZINC000775451428 628027732 /nfs/dbraw/zinc/02/77/32/628027732.db2.gz XNXGPTZGKKRRHO-UHFFFAOYSA-N 0 0 285.395 2.947 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000775679361 628054108 /nfs/dbraw/zinc/05/41/08/628054108.db2.gz YKHDPFQWGIJRRR-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775686533 628055345 /nfs/dbraw/zinc/05/53/45/628055345.db2.gz JBOSFTDGSPRBTO-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCC[C@@H]1O ZINC000775735875 628061020 /nfs/dbraw/zinc/06/10/20/628061020.db2.gz DQLDYFMAACAHQZ-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CCCc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775837401 628074176 /nfs/dbraw/zinc/07/41/76/628074176.db2.gz SFVNJFMSTMFNNS-GFCCVEGCSA-N 0 0 288.395 2.939 20 10 CFCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(N(C)C)cc1 ZINC000776004223 628092887 /nfs/dbraw/zinc/09/28/87/628092887.db2.gz ZQEFGXZYSOIRDG-XJKSGUPXSA-N 0 0 290.407 2.526 20 10 CFCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N(C)C)cc1 ZINC000776004222 628093343 /nfs/dbraw/zinc/09/33/43/628093343.db2.gz ZQEFGXZYSOIRDG-CZUORRHYSA-N 0 0 290.407 2.526 20 10 CFCDRN CO[C@H](C)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776153895 628107208 /nfs/dbraw/zinc/10/72/08/628107208.db2.gz IOXSBACHSILIPW-MRVPVSSYSA-N 0 0 261.724 2.699 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776174443 628111235 /nfs/dbraw/zinc/11/12/35/628111235.db2.gz OOHFGTZMYFQNIB-HZMBPMFUSA-N 0 0 271.788 2.932 20 10 CFCDRN Cn1cccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776218251 628118608 /nfs/dbraw/zinc/11/86/08/628118608.db2.gz HBVWQBLLTVOXFN-UHFFFAOYSA-N 0 0 250.729 2.674 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000776251308 628121904 /nfs/dbraw/zinc/12/19/04/628121904.db2.gz WDHCCNFOSUFLAV-WVSHTKLVSA-N 0 0 287.762 2.825 20 10 CFCDRN CCOc1ccc(CNc2ccc(N(C)C)cn2)c(O)c1 ZINC000776249973 628121978 /nfs/dbraw/zinc/12/19/78/628121978.db2.gz BBKPFMHCYGERPT-UHFFFAOYSA-N 0 0 287.363 2.864 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776252643 628122181 /nfs/dbraw/zinc/12/21/81/628122181.db2.gz VEIXRWODINXALS-KWQFWETISA-N 0 0 273.735 2.842 20 10 CFCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000776281304 628125914 /nfs/dbraw/zinc/12/59/14/628125914.db2.gz IMJDRAULEKYSCB-VXGBXAGGSA-N 0 0 283.393 2.777 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000776292351 628127558 /nfs/dbraw/zinc/12/75/58/628127558.db2.gz JGVIMYMXKQLGGQ-GXTWGEPZSA-N 0 0 260.381 2.805 20 10 CFCDRN O=C(NC[C@H]1CCCc2ccccc21)c1cccc(O)c1O ZINC000776327385 628131616 /nfs/dbraw/zinc/13/16/16/628131616.db2.gz KHFJUOYPPMOKBY-CYBMUJFWSA-N 0 0 297.354 2.948 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc(O)c1O ZINC000776663086 628166899 /nfs/dbraw/zinc/16/68/99/628166899.db2.gz FKRCCBDHRDZXML-QWHCGFSZSA-N 0 0 275.348 2.796 20 10 CFCDRN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cccc(O)c1O ZINC000776663087 628167101 /nfs/dbraw/zinc/16/71/01/628167101.db2.gz FKRCCBDHRDZXML-STQMWFEESA-N 0 0 275.348 2.796 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2cocn2)cc1 ZINC000777034875 628193508 /nfs/dbraw/zinc/19/35/08/628193508.db2.gz BPLVGJYWTNRINM-GFCCVEGCSA-N 0 0 259.353 2.982 20 10 CFCDRN Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000777505223 628231335 /nfs/dbraw/zinc/23/13/35/628231335.db2.gz MZKXCLNLCYYLRA-UHFFFAOYSA-N 0 0 291.326 2.571 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(F)cc(F)c1[O-] ZINC000779086796 628351512 /nfs/dbraw/zinc/35/15/12/628351512.db2.gz BZLBCNAIGCWPGL-RBZYPMLTSA-N 0 0 285.334 2.872 20 10 CFCDRN COc1ccc(N(C)Cc2cncc(F)c2)cc1OC ZINC000779166299 628357893 /nfs/dbraw/zinc/35/78/93/628357893.db2.gz ZOBLDMFIZBMONS-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000779165242 628357924 /nfs/dbraw/zinc/35/79/24/628357924.db2.gz FKXJMJOGVIKYQG-LBPRGKRZSA-N 0 0 287.762 2.920 20 10 CFCDRN CN(Cc1ccsc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779473595 628384833 /nfs/dbraw/zinc/38/48/33/628384833.db2.gz VBQPHTJXILQLLU-HWKANZROSA-N 0 0 289.356 2.831 20 10 CFCDRN CC(C)N(CC1CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779500793 628385441 /nfs/dbraw/zinc/38/54/41/628385441.db2.gz ZAECUCXPPLSZMO-VURMDHGXSA-N 0 0 275.348 2.758 20 10 CFCDRN CCc1ncsc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779535205 628387013 /nfs/dbraw/zinc/38/70/13/628387013.db2.gz ATDRYFXPAJKSRH-XQRVVYSFSA-N 0 0 290.344 2.769 20 10 CFCDRN C[C@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778702 628496311 /nfs/dbraw/zinc/49/63/11/628496311.db2.gz PAJLPGNVZGPYLA-NWDGAFQWSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)ccc2O)cc1F ZINC000780779578 628496460 /nfs/dbraw/zinc/49/64/60/628496460.db2.gz NJZNRDMRWSLKLH-UHFFFAOYSA-N 0 0 276.311 2.880 20 10 CFCDRN COC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000780783174 628496864 /nfs/dbraw/zinc/49/68/64/628496864.db2.gz YMBYOGLTVMWBKZ-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)c(O)c1O ZINC000780855948 628500378 /nfs/dbraw/zinc/50/03/78/628500378.db2.gz NNAOVGAVIIHSGZ-CQSZACIVSA-N 0 0 297.354 2.694 20 10 CFCDRN Cc1ccc(C(=O)NCCC(C)(C)C)c(O)c1O ZINC000780890577 628502917 /nfs/dbraw/zinc/50/29/17/628502917.db2.gz XWQADCCASVNJBZ-UHFFFAOYSA-N 0 0 251.326 2.572 20 10 CFCDRN CSc1ccc(NC(=O)c2ccc(C)c(O)c2O)cn1 ZINC000780923460 628505163 /nfs/dbraw/zinc/50/51/63/628505163.db2.gz SSRCLZPQHXCLRU-UHFFFAOYSA-N 0 0 290.344 2.775 20 10 CFCDRN CC/C(C)=C(/C)C(=O)NCc1cccc(OC)c1O ZINC000780983232 628510633 /nfs/dbraw/zinc/51/06/33/628510633.db2.gz CAJBZXNLBKWRBZ-KHPPLWFESA-N 0 0 263.337 2.763 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CC3CCC2CC3)c(O)c1O ZINC000780983006 628510637 /nfs/dbraw/zinc/51/06/37/628510637.db2.gz ALQHKBSRARIOEG-XIVSLSHWSA-N 0 0 275.348 2.715 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c(O)c1O ZINC000780999493 628512238 /nfs/dbraw/zinc/51/22/38/628512238.db2.gz PUTQNIARXCMJEE-CQSZACIVSA-N 0 0 298.342 2.682 20 10 CFCDRN COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)ccc1O ZINC000781527413 628557433 /nfs/dbraw/zinc/55/74/33/628557433.db2.gz NGLRGQGBAFGSAS-ZDUSSCGKSA-N 0 0 297.782 2.963 20 10 CFCDRN Cc1ccc(C(=O)NCC2CC(C)(C)C2)c(O)c1O ZINC000781841246 628585489 /nfs/dbraw/zinc/58/54/89/628585489.db2.gz LTYDXCRANMNFLZ-UHFFFAOYSA-N 0 0 263.337 2.572 20 10 CFCDRN CC(C)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000782073116 628602521 /nfs/dbraw/zinc/60/25/21/628602521.db2.gz POUUGSLHBSQVTO-JTQLQIEISA-N 0 0 253.367 2.962 20 10 CFCDRN c1cc(N2CCCC2)ccc1OCCOC[C@@H]1CCCO1 ZINC000782335565 628630165 /nfs/dbraw/zinc/63/01/65/628630165.db2.gz BOFZQNYWCGZGPE-KRWDZBQOSA-N 0 0 291.391 2.861 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784118094 628779179 /nfs/dbraw/zinc/77/91/79/628779179.db2.gz PUOVSAQRAJEDFK-MNOVXSKESA-N 0 0 292.331 2.650 20 10 CFCDRN CN(C)c1ccc(COC(=O)c2cccc(O)c2O)cc1 ZINC000784799618 628842995 /nfs/dbraw/zinc/84/29/95/628842995.db2.gz YKDJLMUBSAJOQX-UHFFFAOYSA-N 0 0 287.315 2.521 20 10 CFCDRN C[C@@H](NC(=O)OCC1CC1)c1ccc(N(C)C)cc1 ZINC000785190161 628871152 /nfs/dbraw/zinc/87/11/52/628871152.db2.gz KKCWDUQDJMIOGN-LLVKDONJSA-N 0 0 262.353 2.950 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2C(F)(F)F)cc1 ZINC000785768851 628912395 /nfs/dbraw/zinc/91/23/95/628912395.db2.gz QNFHIZKPMFSFAO-CYBMUJFWSA-N 0 0 288.313 2.516 20 10 CFCDRN CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000786137735 628939251 /nfs/dbraw/zinc/93/92/51/628939251.db2.gz AVKNDALLYKHYKA-XQQFMLRXSA-N 0 0 293.411 2.536 20 10 CFCDRN O=C(NCc1ccccc1O)C12CC(C(F)(F)F)(C1)C2 ZINC000787131584 628995827 /nfs/dbraw/zinc/99/58/27/628995827.db2.gz PPVDEFZVHVKQLP-UHFFFAOYSA-N 0 0 285.265 2.741 20 10 CFCDRN CCOc1ccc(CNc2nnc(C(F)F)o2)c(O)c1 ZINC000787244944 629001762 /nfs/dbraw/zinc/00/17/62/629001762.db2.gz DZKLJADAANHUKZ-UHFFFAOYSA-N 0 0 285.250 2.724 20 10 CFCDRN COC(C)(C)CCN(C)c1ccc2c(c1)OCO2 ZINC000787271700 629003048 /nfs/dbraw/zinc/00/30/48/629003048.db2.gz RWVCIRRRZFXGAQ-UHFFFAOYSA-N 0 0 251.326 2.667 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000787320337 629006980 /nfs/dbraw/zinc/00/69/80/629006980.db2.gz ZBFVPTZKIYPYAO-DANNLKNASA-N 0 0 287.407 2.911 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000787320275 629007005 /nfs/dbraw/zinc/00/70/05/629007005.db2.gz ZBFVPTZKIYPYAO-BQDHKBFISA-N 0 0 287.407 2.911 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000852260929 634703177 /nfs/dbraw/zinc/70/31/77/634703177.db2.gz GRRWOAONHKDIBF-TZMCWYRMSA-N 0 0 273.380 2.831 20 10 CFCDRN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncnn1C ZINC000788982360 629113263 /nfs/dbraw/zinc/11/32/63/629113263.db2.gz HPURVYDRXQFQGZ-YWVKMMECSA-N 0 0 290.342 2.559 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1ccc(C)cc1O ZINC000788983721 629114131 /nfs/dbraw/zinc/11/41/31/629114131.db2.gz FVWLWIYCEDKIPL-SNVBAGLBSA-N 0 0 261.325 2.616 20 10 CFCDRN CC(C)n1ncnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000789305662 629145871 /nfs/dbraw/zinc/14/58/71/629145871.db2.gz CFTZNOYSKXSKJG-ZDUSSCGKSA-N 0 0 287.411 2.776 20 10 CFCDRN COC(=O)[C@@H](NCc1cc(C)ccc1O)c1cccs1 ZINC000789573413 629167546 /nfs/dbraw/zinc/16/75/46/629167546.db2.gz XKDFCGXUNFDPBF-AWEZNQCLSA-N 0 0 291.372 2.766 20 10 CFCDRN CC(C)COC(=O)[C@H](C)NCc1c(O)cccc1Cl ZINC000789581014 629168432 /nfs/dbraw/zinc/16/84/32/629168432.db2.gz UOTXXQKGHPROOR-JTQLQIEISA-N 0 0 285.771 2.723 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOC(F)(F)F ZINC000789582662 629168452 /nfs/dbraw/zinc/16/84/52/629168452.db2.gz XOXYAWWJUAOCME-UHFFFAOYSA-N 0 0 287.640 2.811 20 10 CFCDRN C[N@H+](CCCCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000789763136 629186371 /nfs/dbraw/zinc/18/63/71/629186371.db2.gz FCYRBPMNBWDUFV-UHFFFAOYSA-N 0 0 275.751 2.779 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000789943019 629199287 /nfs/dbraw/zinc/19/92/87/629199287.db2.gz YFLSPICVOMOGLV-SCZZXKLOSA-N 0 0 267.300 2.545 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1nc(Cl)cs1 ZINC000789981795 629201449 /nfs/dbraw/zinc/20/14/49/629201449.db2.gz DAKRLAMDEVNPMH-UHFFFAOYSA-N 0 0 282.752 2.774 20 10 CFCDRN CCc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000789980572 629201511 /nfs/dbraw/zinc/20/15/11/629201511.db2.gz GOTVGIWONGRWEJ-UHFFFAOYSA-N 0 0 289.306 2.729 20 10 CFCDRN CCCn1ncnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000790338680 629234135 /nfs/dbraw/zinc/23/41/35/629234135.db2.gz HEPRJLPFMTVASB-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCc2cc(F)c(F)cc21 ZINC000790543049 629246941 /nfs/dbraw/zinc/24/69/41/629246941.db2.gz OXLASSOOZFKDHN-UHFFFAOYSA-N 0 0 291.253 2.579 20 10 CFCDRN Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(O)c1O ZINC000790658642 629255724 /nfs/dbraw/zinc/25/57/24/629255724.db2.gz XGFOURXXZMOTHV-CQSZACIVSA-N 0 0 283.327 2.824 20 10 CFCDRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1O)CC2 ZINC000790664958 629256327 /nfs/dbraw/zinc/25/63/27/629256327.db2.gz XMGHVHOCLUWADO-CQSZACIVSA-N 0 0 283.327 2.824 20 10 CFCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(O)c1O ZINC000790792535 629263102 /nfs/dbraw/zinc/26/31/02/629263102.db2.gz FTFDESLLCXEEHY-SDDRHHMPSA-N 0 0 275.348 2.796 20 10 CFCDRN Cc1c(C[N@H+](C)Cc2cccc(Cl)c2[O-])cnn1C ZINC000790938244 629272872 /nfs/dbraw/zinc/27/28/72/629272872.db2.gz QWGVUOGGRKVWTI-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN COc1ccc(O)c(CNc2cccc(N3CCC3=O)c2)c1 ZINC000790943558 629273163 /nfs/dbraw/zinc/27/31/63/629273163.db2.gz NFABEXVVSMXYIM-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN C[C@H]1CCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790970372 629275374 /nfs/dbraw/zinc/27/53/74/629275374.db2.gz HDTRQRLTIPUTCM-JTQLQIEISA-N 0 0 286.778 2.616 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000790989065 629278044 /nfs/dbraw/zinc/27/80/44/629278044.db2.gz WVMKOMAJJHGQFO-JOYOIKCWSA-N 0 0 287.762 2.825 20 10 CFCDRN CCOC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790988012 629278097 /nfs/dbraw/zinc/27/80/97/629278097.db2.gz KXXRBTNKIXKPBT-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CC3(CCC3)c3ccccc32)cn1 ZINC000791019359 629281671 /nfs/dbraw/zinc/28/16/71/629281671.db2.gz HYQLRXUUFRBXFW-BQYQJAHWSA-N 0 0 293.370 2.902 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C(F)F)cc1 ZINC000791478823 629320118 /nfs/dbraw/zinc/32/01/18/629320118.db2.gz OPCKLLRPFQNYMP-UHFFFAOYSA-N 0 0 270.323 2.660 20 10 CFCDRN COC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835025792 629322131 /nfs/dbraw/zinc/32/21/31/629322131.db2.gz NKPZTHUTFSBHSX-VOTSOKGWSA-N 0 0 290.407 2.649 20 10 CFCDRN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000835026431 629323845 /nfs/dbraw/zinc/32/38/45/629323845.db2.gz WAKBGXUAFRYYFP-RWCKICOTSA-N 0 0 274.408 2.875 20 10 CFCDRN C[C@@H]1[C@H](C)OCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835030330 629326278 /nfs/dbraw/zinc/32/62/78/629326278.db2.gz XDWYEMKWTHCDMX-JGUVHBTRSA-N 0 0 274.408 2.875 20 10 CFCDRN CN(C)c1ccc(/C=C\CNCc2cocn2)cc1 ZINC000835040054 629335899 /nfs/dbraw/zinc/33/58/99/629335899.db2.gz NGOJIJVTBYNGAU-ARJAWSKDSA-N 0 0 257.337 2.544 20 10 CFCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000835088607 629388219 /nfs/dbraw/zinc/38/82/19/629388219.db2.gz XIQUCUHYSGPDAP-BDAKNGLRSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@H]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000835088608 629389918 /nfs/dbraw/zinc/38/99/18/629389918.db2.gz XIQUCUHYSGPDAP-DTWKUNHWSA-N 0 0 273.735 2.842 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2(C)CC2)c1 ZINC000792199055 629408943 /nfs/dbraw/zinc/40/89/43/629408943.db2.gz PSOQUFXMIKSNHI-LLVKDONJSA-N 0 0 292.379 2.951 20 10 CFCDRN CCOc1cc(O)ccc1NC(=O)C1=CC(=O)CS1 ZINC000792508686 629429621 /nfs/dbraw/zinc/42/96/21/629429621.db2.gz BJXYRTQRHCLPFE-UHFFFAOYSA-N 0 0 279.317 2.810 20 10 CFCDRN COc1ccc(CNC(=O)NCC2(C)CCCC2)c(O)c1 ZINC000792921611 629465754 /nfs/dbraw/zinc/46/57/54/629465754.db2.gz DVTODGUNLYFMHC-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H](C)CCC2CC2)c(O)c1 ZINC000793059995 629481407 /nfs/dbraw/zinc/48/14/07/629481407.db2.gz WGWZFIOIIDZMDZ-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C2CC2)O1 ZINC000793217073 629506887 /nfs/dbraw/zinc/50/68/87/629506887.db2.gz CLAHYJWMRIHKKJ-PXAZEXFGSA-N 0 0 292.398 2.891 20 10 CFCDRN C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220225 629507454 /nfs/dbraw/zinc/50/74/54/629507454.db2.gz LZSNYICUXLSQQU-OCAPTIKFSA-N 0 0 270.716 2.937 20 10 CFCDRN Oc1cc2c(cc1CNc1cccc3c1CCO3)OCO2 ZINC000793325131 629527113 /nfs/dbraw/zinc/52/71/13/629527113.db2.gz HNNYGRVXCNHQAG-UHFFFAOYSA-N 0 0 285.299 2.668 20 10 CFCDRN COC(=O)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000793360649 629530844 /nfs/dbraw/zinc/53/08/44/629530844.db2.gz BRVKMSBMGNILHE-GFCCVEGCSA-N 0 0 285.343 2.710 20 10 CFCDRN Cc1nc2ccc(C(=O)NCc3ccccc3O)cc2n1C ZINC000793681357 629585392 /nfs/dbraw/zinc/58/53/92/629585392.db2.gz OJWMGRVQTXUZFZ-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000794261196 629627973 /nfs/dbraw/zinc/62/79/73/629627973.db2.gz TUKSIOYGBXLGQX-BVKQBWKVSA-N 0 0 275.348 2.663 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794377610 629641373 /nfs/dbraw/zinc/64/13/73/629641373.db2.gz QVWUZROJZHNGHJ-LLVKDONJSA-N 0 0 297.420 2.939 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2ncnn2CC)cc1 ZINC000794843712 629694032 /nfs/dbraw/zinc/69/40/32/629694032.db2.gz XNGKTNZTRXKAHZ-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN CN(C)c1ccc(CNc2nncn2C)c(C(F)(F)F)c1 ZINC000794944774 629708438 /nfs/dbraw/zinc/70/84/38/629708438.db2.gz IBSGBMUOSGXPMI-UHFFFAOYSA-N 0 0 299.300 2.512 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@](C)(CC)OC)cc1 ZINC000794975050 629713476 /nfs/dbraw/zinc/71/34/76/629713476.db2.gz NBYRPUBQMBJMCR-QGZVFWFLSA-N 0 0 292.423 2.964 20 10 CFCDRN COc1ccc(CNc2ccc(C(C)=O)cn2)c(O)c1 ZINC000795285616 629756894 /nfs/dbraw/zinc/75/68/94/629756894.db2.gz SNRRQQWGXZQNGF-UHFFFAOYSA-N 0 0 272.304 2.611 20 10 CFCDRN O=C(OCCN1CCc2ccccc21)C1=CC(=O)CS1 ZINC000795401327 629772240 /nfs/dbraw/zinc/77/22/40/629772240.db2.gz IDMADFQXIXRBKF-UHFFFAOYSA-N 0 0 289.356 2.673 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCCCSc1nccs1 ZINC000796415680 629915842 /nfs/dbraw/zinc/91/58/42/629915842.db2.gz IVUHZSUZHBRMDZ-UHFFFAOYSA-N 0 0 295.433 2.946 20 10 CFCDRN COC[C@@H](O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796505879 629927174 /nfs/dbraw/zinc/92/71/74/629927174.db2.gz ULALNPATGZZINY-HNNXBMFYSA-N 0 0 281.396 2.555 20 10 CFCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000796525855 629930672 /nfs/dbraw/zinc/93/06/72/629930672.db2.gz GSMXYCFBWSZYJR-XVKPBYJWSA-N 0 0 270.716 2.842 20 10 CFCDRN CC[C@H]([NH2+]CCn1ccnc1C)c1ccc(F)cc1[O-] ZINC000796738005 629958060 /nfs/dbraw/zinc/95/80/60/629958060.db2.gz PODBGTHGCKIPGW-AWEZNQCLSA-N 0 0 277.343 2.777 20 10 CFCDRN CC[C@@H]([NH2+]CCN(C)C(C)C)c1ccc(F)cc1[O-] ZINC000796741577 629958112 /nfs/dbraw/zinc/95/81/12/629958112.db2.gz DPJIIACQWAKLEO-CQSZACIVSA-N 0 0 268.376 2.912 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000796749512 629959338 /nfs/dbraw/zinc/95/93/38/629959338.db2.gz YNQUNYDVLALNMW-DOMZBBRYSA-N 0 0 278.371 2.809 20 10 CFCDRN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(F)cc1[O-] ZINC000796765420 629962546 /nfs/dbraw/zinc/96/25/46/629962546.db2.gz ZDUVCGNNECSYCV-HIFRSBDPSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(F)cc1[O-] ZINC000796935625 629991836 /nfs/dbraw/zinc/99/18/36/629991836.db2.gz HYTAIFLWGKUWDM-CYBMUJFWSA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@@]1(CCNC(=O)NCc2ccccc2O)CC1(F)F ZINC000852585434 634787198 /nfs/dbraw/zinc/78/71/98/634787198.db2.gz FVHHTESIMAYGOO-CYBMUJFWSA-N 0 0 284.306 2.627 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)on1 ZINC000797719765 630098078 /nfs/dbraw/zinc/09/80/78/630098078.db2.gz QYMMWYJONMZHNT-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN C[C@@H](NCCF)c1ccc(N2CCOCC2)cc1Cl ZINC000798000540 630140396 /nfs/dbraw/zinc/14/03/96/630140396.db2.gz YRSFIKPVOYMFAP-LLVKDONJSA-N 0 0 286.778 2.797 20 10 CFCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000798395179 630186034 /nfs/dbraw/zinc/18/60/34/630186034.db2.gz AQJFOSLINZAKJO-NEPJUHHUSA-N 0 0 262.353 2.628 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2=CCCC2)cc1F ZINC000852634142 634794364 /nfs/dbraw/zinc/79/43/64/634794364.db2.gz KSQVQVBWTWONSG-UHFFFAOYSA-N 0 0 291.370 2.801 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000798513712 630198302 /nfs/dbraw/zinc/19/83/02/630198302.db2.gz XVJQTMIHULGITI-CHWSQXEVSA-N 0 0 276.380 2.970 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2cncc(F)c2)cc1 ZINC000799180321 630284253 /nfs/dbraw/zinc/28/42/53/630284253.db2.gz WHOMUJIWHOSDEG-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN CCOc1ccc(N(C)CC2(CC(=O)OC)CC2)cc1 ZINC000799302995 630294983 /nfs/dbraw/zinc/29/49/83/630294983.db2.gz DWDDQQRCASKDJD-UHFFFAOYSA-N 0 0 277.364 2.865 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1ncc(Cl)n1C ZINC000799336877 630300571 /nfs/dbraw/zinc/30/05/71/630300571.db2.gz RJOXZIQAKFFZMW-UHFFFAOYSA-N 0 0 292.814 2.738 20 10 CFCDRN Cc1noc2ncnc(NCc3ccc(N(C)C)cc3C)c12 ZINC000799938438 630355073 /nfs/dbraw/zinc/35/50/73/630355073.db2.gz WPJMCQRXPQMTST-UHFFFAOYSA-N 0 0 297.362 2.913 20 10 CFCDRN CN(C)c1ccc(CN2CCOc3ccc(O)cc3C2)cc1 ZINC000852689398 634807363 /nfs/dbraw/zinc/80/73/63/634807363.db2.gz ZHKDPRBVXMHULH-UHFFFAOYSA-N 0 0 298.386 2.853 20 10 CFCDRN COc1ccc(N(C)CCOCC(C)C)cc1F ZINC000800350578 630373676 /nfs/dbraw/zinc/37/36/76/630373676.db2.gz HTXBNNXLNHQPGF-UHFFFAOYSA-N 0 0 255.333 2.943 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC[C@H]2C(F)F)c(O)c1O ZINC000800614388 630398863 /nfs/dbraw/zinc/39/88/63/630398863.db2.gz SHNUBNQKUSZALE-JTQLQIEISA-N 0 0 285.290 2.666 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(C)CC1 ZINC000839920312 630403498 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/nfs/dbraw/zinc/90/54/02/630905402.db2.gz CSTPYXPGSHQVOY-UHFFFAOYSA-N 0 0 298.386 2.549 20 10 CFCDRN CCOc1ccc(CNc2cccc3c2CNC3=O)c(O)c1 ZINC000808420223 630989224 /nfs/dbraw/zinc/98/92/24/630989224.db2.gz UWMMZUXRSIVYFH-UHFFFAOYSA-N 0 0 298.342 2.646 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCCCO2)cc1 ZINC000837321382 630997442 /nfs/dbraw/zinc/99/74/42/630997442.db2.gz UFTDIGQJHFTFEN-QGZVFWFLSA-N 0 0 290.407 2.670 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000808487418 631001657 /nfs/dbraw/zinc/00/16/57/631001657.db2.gz KBAQGNTULOPKJK-UHFFFAOYSA-N 0 0 298.294 2.794 20 10 CFCDRN CC(=O)C(=O)COC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000808512226 631005068 /nfs/dbraw/zinc/00/50/68/631005068.db2.gz IDAQJGVRQZKWMG-UHFFFAOYSA-N 0 0 288.343 2.508 20 10 CFCDRN CSCC1(CCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000855397786 635532936 /nfs/dbraw/zinc/53/29/36/635532936.db2.gz IZNZIILOXMRTCZ-UHFFFAOYSA-N 0 0 295.404 2.669 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)Nc2cnn(CCO)c2)c1O ZINC000808711916 631033508 /nfs/dbraw/zinc/03/35/08/631033508.db2.gz WERYLXKNCFEFPL-JTQLQIEISA-N 0 0 295.770 2.716 20 10 CFCDRN CN(CCOC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000837516548 631053332 /nfs/dbraw/zinc/05/33/32/631053332.db2.gz ZLYWGTOCKQPLHX-UHFFFAOYSA-N 0 0 291.372 2.743 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](C2CCC2)C1 ZINC000840572967 631165842 /nfs/dbraw/zinc/16/58/42/631165842.db2.gz MMBDEAIOOLAATL-DYLGSBMWSA-N 0 0 287.359 2.760 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000840835015 631235007 /nfs/dbraw/zinc/23/50/07/631235007.db2.gz FCHDONFJMQBEEP-VXGBXAGGSA-N 0 0 295.379 2.502 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840873330 631247472 /nfs/dbraw/zinc/24/74/72/631247472.db2.gz SPDNSHAWGXDIMU-DDHJBXDOSA-N 0 0 294.351 2.765 20 10 CFCDRN CCc1nnc(NCc2ccc(N(C)C)cc2C)o1 ZINC000840885958 631251214 /nfs/dbraw/zinc/25/12/14/631251214.db2.gz JXYCJYCYKNQHKZ-UHFFFAOYSA-N 0 0 260.341 2.619 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCc1cccs1 ZINC000042838378 650001535 /nfs/dbraw/zinc/00/15/35/650001535.db2.gz GNAFSQHXLWYVIG-UHFFFAOYSA-N 0 0 276.361 2.795 20 10 CFCDRN Cc1cc(O)c(CN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000840910709 631260487 /nfs/dbraw/zinc/26/04/87/631260487.db2.gz QMFGWRYCJVVCEA-UHFFFAOYSA-N 0 0 282.815 2.880 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1c1nncn1C ZINC000840917655 631264554 /nfs/dbraw/zinc/26/45/54/631264554.db2.gz VWSHVTUOJORCOD-MRXNPFEDSA-N 0 0 299.422 2.527 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)OC(C)(C)C ZINC000840928176 631266381 /nfs/dbraw/zinc/26/63/81/631266381.db2.gz LTJCYCJIZAXJDZ-ZDUSSCGKSA-N 0 0 292.423 2.881 20 10 CFCDRN CCc1ncc(CN(C)c2ccc(OC)c(F)c2)cn1 ZINC000840938212 631270128 /nfs/dbraw/zinc/27/01/28/631270128.db2.gz ZEZBQIVNHOWEAY-UHFFFAOYSA-N 0 0 275.327 2.823 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000840939601 631272835 /nfs/dbraw/zinc/27/28/35/631272835.db2.gz ZSFUJHZRSOQAKH-OAHLLOKOSA-N 0 0 281.783 2.965 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@H](CF)C2)cc1 ZINC000840955685 631283743 /nfs/dbraw/zinc/28/37/43/631283743.db2.gz YDFDEBNCZZHMMX-MRXNPFEDSA-N 0 0 280.387 2.703 20 10 CFCDRN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC(=O)N1 ZINC000840975282 631290911 /nfs/dbraw/zinc/29/09/11/631290911.db2.gz FFWMBNWITSHZCQ-GFCCVEGCSA-N 0 0 296.798 2.535 20 10 CFCDRN COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000840977021 631292487 /nfs/dbraw/zinc/29/24/87/631292487.db2.gz ZZFQBEXISJNYBD-OAHLLOKOSA-N 0 0 297.782 2.821 20 10 CFCDRN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840995479 631296628 /nfs/dbraw/zinc/29/66/28/631296628.db2.gz PLPDQHXQKJFWAT-OAHLLOKOSA-N 0 0 297.354 2.966 20 10 CFCDRN CCO/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841027462 631309030 /nfs/dbraw/zinc/30/90/30/631309030.db2.gz BJAHKYBFBRKWBC-QXMHVHEDSA-N 0 0 288.391 2.794 20 10 CFCDRN COC(=O)c1cccc(COc2ccc(N(C)C)cc2)n1 ZINC000810000690 631311485 /nfs/dbraw/zinc/31/14/85/631311485.db2.gz KAQLONHYPFIKMS-UHFFFAOYSA-N 0 0 286.331 2.513 20 10 CFCDRN CNC(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1 ZINC000810002218 631311590 /nfs/dbraw/zinc/31/15/90/631311590.db2.gz UKWDJTSGBNFNOR-UHFFFAOYSA-N 0 0 284.359 2.691 20 10 CFCDRN CN(C)c1ccc(OCc2nnc(C3CC3)o2)cc1 ZINC000810000982 631311753 /nfs/dbraw/zinc/31/17/53/631311753.db2.gz STMZKPKXSXDECH-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN CC(C)C[C@H](CN)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841037923 631316230 /nfs/dbraw/zinc/31/62/30/631316230.db2.gz CXNFGZTUGZTPRT-LLVKDONJSA-N 0 0 274.767 2.648 20 10 CFCDRN CCOc1ccc(O)c(CNc2ccc(N)c(OC)c2)c1 ZINC000841044014 631319035 /nfs/dbraw/zinc/31/90/35/631319035.db2.gz SFHFNYCITLKPRM-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN C[C@H](NC(=O)OC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000810065186 631321556 /nfs/dbraw/zinc/32/15/56/631321556.db2.gz LQFPEBJPKWADGF-LBPRGKRZSA-N 0 0 292.379 2.719 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H](CO)C1CCCC1 ZINC000810178793 631339999 /nfs/dbraw/zinc/33/99/99/631339999.db2.gz WCAOARRUIIHPMZ-LBPRGKRZSA-N 0 0 287.762 2.825 20 10 CFCDRN CCCN(CC)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000810180647 631340467 /nfs/dbraw/zinc/34/04/67/631340467.db2.gz FMEYSRLDTQAYBM-LBPRGKRZSA-N 0 0 295.383 2.510 20 10 CFCDRN Nc1ccc(NC(=O)N2CCCC[C@H]2C(F)F)cc1 ZINC000841298362 631376821 /nfs/dbraw/zinc/37/68/21/631376821.db2.gz AZMROJSATLSBRM-NSHDSACASA-N 0 0 269.295 2.920 20 10 CFCDRN C[C@@](O)(CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841297063 631377189 /nfs/dbraw/zinc/37/71/89/631377189.db2.gz MOSZKACARMPDJU-MRXNPFEDSA-N 0 0 291.395 2.722 20 10 CFCDRN CO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841297169 631377252 /nfs/dbraw/zinc/37/72/52/631377252.db2.gz BFHHXXAVSXXJLW-UONOGXRCSA-N 0 0 289.379 2.690 20 10 CFCDRN CCOC1CC(CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841297085 631377412 /nfs/dbraw/zinc/37/74/12/631377412.db2.gz MXQGKDRXBXDZMB-UHFFFAOYSA-N 0 0 277.368 2.596 20 10 CFCDRN CN(C(=O)Nc1ccc(N)cc1)[C@@H](CO)CC(C)(C)C ZINC000841297186 631377425 /nfs/dbraw/zinc/37/74/25/631377425.db2.gz CCYWCOQEEVAWIB-CYBMUJFWSA-N 0 0 279.384 2.530 20 10 CFCDRN CO[C@]1(C)C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298686 631377793 /nfs/dbraw/zinc/37/77/93/631377793.db2.gz COQNCHKHXFBIRA-SWLSCSKDSA-N 0 0 277.368 2.594 20 10 CFCDRN CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298690 631378017 /nfs/dbraw/zinc/37/80/17/631378017.db2.gz COQNCHKHXFBIRA-WFASDCNBSA-N 0 0 277.368 2.594 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000841299929 631378333 /nfs/dbraw/zinc/37/83/33/631378333.db2.gz LWXOAQMRZDTSPK-MRXNPFEDSA-N 0 0 289.379 2.693 20 10 CFCDRN CC(C)CO[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300121 631378349 /nfs/dbraw/zinc/37/83/49/631378349.db2.gz OBVJPQQPHRGWRY-AWEZNQCLSA-N 0 0 277.368 2.548 20 10 CFCDRN C[C@H]1CC(CCNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841300026 631378361 /nfs/dbraw/zinc/37/83/61/631378361.db2.gz QMVMGCVFBQQAMI-RYUDHWBXSA-N 0 0 291.395 2.984 20 10 CFCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCOCC1 ZINC000841300898 631378598 /nfs/dbraw/zinc/37/85/98/631378598.db2.gz WDODUPUVPFZGCW-CQSZACIVSA-N 0 0 277.368 2.596 20 10 CFCDRN CCc1nocc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000841499027 631418367 /nfs/dbraw/zinc/41/83/67/631418367.db2.gz YKJMPYVZNBSTLV-IZZDOVSWSA-N 0 0 294.401 2.991 20 10 CFCDRN CC(C)CC[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841619332 631433461 /nfs/dbraw/zinc/43/34/61/631433461.db2.gz VMGDLQSCNFQGGF-ZDUSSCGKSA-N 0 0 277.412 2.935 20 10 CFCDRN C[C@H]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841732521 631461654 /nfs/dbraw/zinc/46/16/54/631461654.db2.gz ULJDRKFUPFPCFJ-ZFWWWQNUSA-N 0 0 289.423 2.937 20 10 CFCDRN Cc1ccsc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841739206 631462296 /nfs/dbraw/zinc/46/22/96/631462296.db2.gz DAJWBULLTUYBSW-UHFFFAOYSA-N 0 0 289.404 2.681 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841738178 631462353 /nfs/dbraw/zinc/46/23/53/631462353.db2.gz KHFHFHCIMBBRGF-UKRRQHHQSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841744555 631462931 /nfs/dbraw/zinc/46/29/31/631462931.db2.gz PSFZRVDLBSPJKV-SNVBAGLBSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841746450 631463519 /nfs/dbraw/zinc/46/35/19/631463519.db2.gz ZEVFBTDNRVVCLS-NXEZZACHSA-N 0 0 255.745 2.733 20 10 CFCDRN CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757192 631468108 /nfs/dbraw/zinc/46/81/08/631468108.db2.gz FRFSGQVONIBKHI-MWLCHTKSSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC000841807868 631473434 /nfs/dbraw/zinc/47/34/34/631473434.db2.gz FPPMKHIMWMYIPJ-UONOGXRCSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841814953 631474531 /nfs/dbraw/zinc/47/45/31/631474531.db2.gz AQCMLMVMJWDNAE-DVOMOZLQSA-N 0 0 289.423 2.935 20 10 CFCDRN CCSCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841846265 631478875 /nfs/dbraw/zinc/47/88/75/631478875.db2.gz OBFGUDCHGOSQDN-GFCCVEGCSA-N 0 0 295.452 2.642 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841896524 631490242 /nfs/dbraw/zinc/49/02/42/631490242.db2.gz PAOXGTIOOHJJOO-TZMCWYRMSA-N 0 0 275.396 2.547 20 10 CFCDRN CCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955490 631495586 /nfs/dbraw/zinc/49/55/86/631495586.db2.gz DVHYTAZSMYYTJN-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN CCCN(CCC)C(=O)NCCc1ccc(N)cc1 ZINC000841961729 631497621 /nfs/dbraw/zinc/49/76/21/631497621.db2.gz GUOAHMWSSKAWIK-UHFFFAOYSA-N 0 0 263.385 2.643 20 10 CFCDRN Cc1nnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000842034393 631508588 /nfs/dbraw/zinc/50/85/88/631508588.db2.gz WLKHDPXGUOGUFV-UHFFFAOYSA-N 0 0 259.309 2.557 20 10 CFCDRN CO[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(C)C ZINC000842086349 631532190 /nfs/dbraw/zinc/53/21/90/631532190.db2.gz BTNRZCXUFBZYOM-SCXUMTSISA-N 0 0 294.347 2.715 20 10 CFCDRN CO[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(C)C ZINC000842086352 631532659 /nfs/dbraw/zinc/53/26/59/631532659.db2.gz BTNRZCXUFBZYOM-VUDGCMKMSA-N 0 0 294.347 2.715 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CN1CCCc2n[nH]cc21 ZINC000811496849 631571446 /nfs/dbraw/zinc/57/14/46/631571446.db2.gz BHWKYNYCCXNKBG-UHFFFAOYSA-N 0 0 281.718 2.861 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C2CC2)C1 ZINC000811530864 631577551 /nfs/dbraw/zinc/57/75/51/631577551.db2.gz CEINWZRLLZUDDU-SNVBAGLBSA-N 0 0 251.351 2.716 20 10 CFCDRN COc1ccc(O)c(CNc2nc3ccccc3c(=O)[nH]2)c1 ZINC000811806271 631625065 /nfs/dbraw/zinc/62/50/65/631625065.db2.gz OSUHEAMYSMISNI-UHFFFAOYSA-N 0 0 297.314 2.662 20 10 CFCDRN CC(C)Oc1cc(NCc2ccc(N(C)C)cc2)ncn1 ZINC000840238056 631632322 /nfs/dbraw/zinc/63/23/22/631632322.db2.gz AFHDJLLUXQSANS-UHFFFAOYSA-N 0 0 286.379 2.942 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000812271226 631683836 /nfs/dbraw/zinc/68/38/36/631683836.db2.gz WCPAKEVUVOKLNW-LBPRGKRZSA-N 0 0 263.362 2.858 20 10 CFCDRN CCOc1ccc(O)c(CNc2ccc3c(c2)nnn3C)c1 ZINC000842741484 631724547 /nfs/dbraw/zinc/72/45/47/631724547.db2.gz ZAQAFXMTVVXXNH-UHFFFAOYSA-N 0 0 298.346 2.685 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCCC2CC2)c1 ZINC000812509920 631727777 /nfs/dbraw/zinc/72/77/77/631727777.db2.gz SZOPLTBSHZUDIM-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN C[C@@H]([NH2+]CCCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812738240 631765255 /nfs/dbraw/zinc/76/52/55/631765255.db2.gz ZOSGPALANAZDOV-SECBINFHSA-N 0 0 256.277 2.701 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780616 631773611 /nfs/dbraw/zinc/77/36/11/631773611.db2.gz KPESPKLYUVJNAN-GFCCVEGCSA-N 0 0 295.745 2.828 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000842887577 631773987 /nfs/dbraw/zinc/77/39/87/631773987.db2.gz ZLXFYSHVTUJEPT-MFKMUULPSA-N 0 0 294.370 2.581 20 10 CFCDRN Cc1cccnc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000043862450 650029184 /nfs/dbraw/zinc/02/91/84/650029184.db2.gz CTGNZVFWFVXOLK-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CC[NH2+]C1 ZINC000843052939 631817791 /nfs/dbraw/zinc/81/77/91/631817791.db2.gz PKRXSDYLGYHWBG-SNVBAGLBSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055860 631818408 /nfs/dbraw/zinc/81/84/08/631818408.db2.gz QWTCRKSAIDIKPH-SNVBAGLBSA-N 0 0 284.762 2.511 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(C2CC2)C1 ZINC000813036870 631819792 /nfs/dbraw/zinc/81/97/92/631819792.db2.gz CWLUUWGGMHMIBZ-UHFFFAOYSA-N 0 0 299.418 2.838 20 10 CFCDRN COCCC[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158264 631869882 /nfs/dbraw/zinc/86/98/82/631869882.db2.gz AQWASDATGNZHQA-NSHDSACASA-N 0 0 275.352 2.773 20 10 CFCDRN C[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158730 631870688 /nfs/dbraw/zinc/87/06/88/631870688.db2.gz INGJRPRJIPQEKX-JQWIXIFHSA-N 0 0 273.336 2.525 20 10 CFCDRN Nc1ccc(Cc2noc(-c3cc(C4CC4)no3)n2)cc1 ZINC000843159990 631871339 /nfs/dbraw/zinc/87/13/39/631871339.db2.gz DWZUKGTVAYKBPP-UHFFFAOYSA-N 0 0 282.303 2.775 20 10 CFCDRN Cn1cc([C@@H](NCc2ccccc2O)C(F)(F)F)cn1 ZINC000813331001 631904121 /nfs/dbraw/zinc/90/41/21/631904121.db2.gz BEQMOETZCPXCHO-GFCCVEGCSA-N 0 0 285.269 2.519 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)C(C)C)cc1 ZINC000813389970 631916445 /nfs/dbraw/zinc/91/64/45/631916445.db2.gz YCXKQWCSIIRQHR-INIZCTEOSA-N 0 0 292.423 2.508 20 10 CFCDRN CCOc1cncc(NCc2cc(C)ccc2O)n1 ZINC000843302946 631923044 /nfs/dbraw/zinc/92/30/44/631923044.db2.gz BNFGYJMMSMCFMB-UHFFFAOYSA-N 0 0 259.309 2.501 20 10 CFCDRN O=C(NCc1ccccc1O)C1(C(F)F)CCCC1 ZINC000813489178 631926097 /nfs/dbraw/zinc/92/60/97/631926097.db2.gz RDPCRQHVGGYAKI-UHFFFAOYSA-N 0 0 269.291 2.834 20 10 CFCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000813613853 631941877 /nfs/dbraw/zinc/94/18/77/631941877.db2.gz SLDQQMZKZMPMMC-LLVKDONJSA-N 0 0 297.374 2.669 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(CC(N)=O)cc2)cc1C ZINC000156059076 650041492 /nfs/dbraw/zinc/04/14/92/650041492.db2.gz OJNZSLCPVQROEJ-UHFFFAOYSA-N 0 0 284.359 2.649 20 10 CFCDRN CC[C@@H](C)C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC ZINC000843415283 631947330 /nfs/dbraw/zinc/94/73/30/631947330.db2.gz IMFYAKGKRUEVLA-IUODEOHRSA-N 0 0 291.391 2.689 20 10 CFCDRN OC[C@@H]1CCCN(Cc2ccccc2O)[C@@H]1C(F)(F)F ZINC000843413458 631948183 /nfs/dbraw/zinc/94/81/83/631948183.db2.gz KMZANUGTRNIDIG-AAEUAGOBSA-N 0 0 289.297 2.527 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419669 631950294 /nfs/dbraw/zinc/95/02/94/631950294.db2.gz ONVJDYNUFZZUKX-CYBMUJFWSA-N 0 0 272.323 2.916 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843427868 631955228 /nfs/dbraw/zinc/95/52/28/631955228.db2.gz VPJWXPBMTXQZEG-CMPLNLGQSA-N 0 0 271.788 2.932 20 10 CFCDRN Cc1nnsc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000813790075 631960307 /nfs/dbraw/zinc/96/03/07/631960307.db2.gz GILSTHQFBBWRQL-UHFFFAOYSA-N 0 0 287.747 2.634 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)C2)cc1 ZINC000843770569 632052857 /nfs/dbraw/zinc/05/28/57/632052857.db2.gz YORWPJCVQGAENO-CQSZACIVSA-N 0 0 288.391 2.518 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(F)CC1 ZINC000843776944 632054018 /nfs/dbraw/zinc/05/40/18/632054018.db2.gz WNZHXUOOKOIWRS-UHFFFAOYSA-N 0 0 264.344 2.603 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCc2ccccc21 ZINC000843830322 632063870 /nfs/dbraw/zinc/06/38/70/632063870.db2.gz GTFJQRRIMIXZJO-GOSISDBHSA-N 0 0 297.354 2.618 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ccncc2)C1 ZINC000844143905 632126133 /nfs/dbraw/zinc/12/61/33/632126133.db2.gz YOISHGJKCBYPJI-CYBMUJFWSA-N 0 0 298.342 2.513 20 10 CFCDRN O=C(NC[C@H]1C[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000844147357 632127123 /nfs/dbraw/zinc/12/71/23/632127123.db2.gz VUHBZPJTIFAWOC-DGCLKSJQSA-N 0 0 273.357 2.987 20 10 CFCDRN CCOc1cccc(CCNC(=O)Cc2ccc(N)cc2)c1 ZINC000844203896 632133676 /nfs/dbraw/zinc/13/36/76/632133676.db2.gz ZQBBDGNRHOEOKS-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844281684 632155080 /nfs/dbraw/zinc/15/50/80/632155080.db2.gz OXAHJDVEMQYLIJ-MRVPVSSYSA-N 0 0 268.744 2.643 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844352812 632176783 /nfs/dbraw/zinc/17/67/83/632176783.db2.gz JAVKDYFRBKJJQL-CQSZACIVSA-N 0 0 275.348 2.617 20 10 CFCDRN COc1ccc(N(C)CC(=O)NC2CCC(C)CC2)cc1 ZINC000844353718 632177834 /nfs/dbraw/zinc/17/78/34/632177834.db2.gz XDUAMTOIOUIAMO-UHFFFAOYSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1 ZINC000844354864 632177974 /nfs/dbraw/zinc/17/79/74/632177974.db2.gz JBMNRGSNJBCAGC-UHFFFAOYSA-N 0 0 274.368 2.678 20 10 CFCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC000844353333 632178063 /nfs/dbraw/zinc/17/80/63/632178063.db2.gz NHICRCOXPACQTL-UHFFFAOYSA-N 0 0 275.304 2.711 20 10 CFCDRN Cc1ccc(C(=O)O[C@@H]2CC[C@H](C)C2)c(O)c1O ZINC000815199009 632227966 /nfs/dbraw/zinc/22/79/66/632227966.db2.gz CUVUBLGFDNGJBM-WCBMZHEXSA-N 0 0 250.294 2.752 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598268 632295512 /nfs/dbraw/zinc/29/55/12/632295512.db2.gz QGKXUMOWEMLALP-RKDXNWHRSA-N 0 0 275.270 2.851 20 10 CFCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000815633578 632302462 /nfs/dbraw/zinc/30/24/62/632302462.db2.gz RLQWQTNXENOBLF-NWDGAFQWSA-N 0 0 296.386 2.734 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000815650968 632305849 /nfs/dbraw/zinc/30/58/49/632305849.db2.gz GLICPRFKSWPIEG-ISVAXAHUSA-N 0 0 271.307 2.746 20 10 CFCDRN CO[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000815797084 632322136 /nfs/dbraw/zinc/32/21/36/632322136.db2.gz ZXGLDCYAQGGOJZ-OCCSQVGLSA-N 0 0 277.364 2.556 20 10 CFCDRN CC[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852003 632322928 /nfs/dbraw/zinc/32/29/28/632322928.db2.gz DMHGNURMBOMODD-ZDUSSCGKSA-N 0 0 278.396 2.636 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)CCC2CC2)cc1 ZINC000844854191 632323112 /nfs/dbraw/zinc/32/31/12/632323112.db2.gz JJDXSGJLCICLMV-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844893199 632329094 /nfs/dbraw/zinc/32/90/94/632329094.db2.gz ZLPDULVEXYAXON-DTWKUNHWSA-N 0 0 268.744 2.501 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000816491250 632470147 /nfs/dbraw/zinc/47/01/47/632470147.db2.gz FKEXLUXHRRCMKX-UHFFFAOYSA-N 0 0 298.789 2.712 20 10 CFCDRN OCC[N@@H+](Cc1ccc2ccccc2c1O)CC1CC1 ZINC000816496208 632471163 /nfs/dbraw/zinc/47/11/63/632471163.db2.gz AGAMXBPZWBGIGQ-UHFFFAOYSA-N 0 0 271.360 2.750 20 10 CFCDRN C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])C(C)(C)C1 ZINC000816513626 632475362 /nfs/dbraw/zinc/47/53/62/632475362.db2.gz WYQIOQIGCBDURM-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544164 632480156 /nfs/dbraw/zinc/48/01/56/632480156.db2.gz ZOEYUTIDJIIVMT-SNVBAGLBSA-N 0 0 275.751 2.681 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CC3CCC2CC3)c(O)c1 ZINC000816550085 632481668 /nfs/dbraw/zinc/48/16/68/632481668.db2.gz IARBBWYMBRROQE-QOZQQMKHSA-N 0 0 289.375 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000816548378 632481927 /nfs/dbraw/zinc/48/19/27/632481927.db2.gz FVLOJCZSQULEAP-JTQLQIEISA-N 0 0 284.762 2.511 20 10 CFCDRN COc1ccc(O)c(CNCc2c(F)ccc(O)c2F)c1 ZINC000816550335 632482189 /nfs/dbraw/zinc/48/21/89/632482189.db2.gz OMMGKDUTEFMNNE-UHFFFAOYSA-N 0 0 295.285 2.674 20 10 CFCDRN COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816557945 632484510 /nfs/dbraw/zinc/48/45/10/632484510.db2.gz HJBITKWRBDGWRO-LBPRGKRZSA-N 0 0 273.735 2.699 20 10 CFCDRN CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615726 632496236 /nfs/dbraw/zinc/49/62/36/632496236.db2.gz DGJJPJYBNWKRTR-CYBMUJFWSA-N 0 0 275.751 2.681 20 10 CFCDRN Cc1cccc(CNc2ccc(F)c(NC(N)=O)c2)c1O ZINC000816625080 632497081 /nfs/dbraw/zinc/49/70/81/632497081.db2.gz QPQPXEASWFDVRK-UHFFFAOYSA-N 0 0 289.310 2.942 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816665767 632508484 /nfs/dbraw/zinc/50/84/84/632508484.db2.gz TYSWPVLUBKNABX-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccccc2O)nn1C(C)C ZINC000817359223 632612280 /nfs/dbraw/zinc/61/22/80/632612280.db2.gz MESGGTPHWZYTTL-UHFFFAOYSA-N 0 0 288.351 2.800 20 10 CFCDRN Cc1c(Cl)c(CN(C)Cc2ccccc2O)nn1C ZINC000817405106 632620828 /nfs/dbraw/zinc/62/08/28/632620828.db2.gz BDURPJYGRHJLDH-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CO1 ZINC000846042635 632622766 /nfs/dbraw/zinc/62/27/66/632622766.db2.gz DVOVNXGXMJWBMD-JSGCOSHPSA-N 0 0 280.387 2.891 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000817413900 632625103 /nfs/dbraw/zinc/62/51/03/632625103.db2.gz DIFCIKVHAKIRIR-PSASIEDQSA-N 0 0 273.735 2.530 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)c(O)c1 ZINC000846061390 632627320 /nfs/dbraw/zinc/62/73/20/632627320.db2.gz ODTJMWDSVWTBLV-LSDHHAIUSA-N 0 0 289.375 2.843 20 10 CFCDRN CCc1nn(C)cc1N[C@H](C)c1cccc(OC)c1O ZINC000846158676 632649825 /nfs/dbraw/zinc/64/98/25/632649825.db2.gz COHDNNPSWACUCV-SNVBAGLBSA-N 0 0 275.352 2.870 20 10 CFCDRN COc1cccc([C@@H](C)Nc2cnn(C)c2C)c1O ZINC000846161050 632650056 /nfs/dbraw/zinc/65/00/56/632650056.db2.gz ZHAXTQKUAKMLJY-SECBINFHSA-N 0 0 261.325 2.616 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@H]1CC12CC2 ZINC000817534444 632658013 /nfs/dbraw/zinc/65/80/13/632658013.db2.gz XHTXYMKITOVUHT-SECBINFHSA-N 0 0 268.407 2.542 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846204507 632660170 /nfs/dbraw/zinc/66/01/70/632660170.db2.gz MJYLTDWZLOFMHP-MNOVXSKESA-N 0 0 294.351 2.766 20 10 CFCDRN Nc1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000846295985 632685898 /nfs/dbraw/zinc/68/58/98/632685898.db2.gz DGFYVLZSGBFTIQ-GJZGRUSLSA-N 0 0 258.365 2.711 20 10 CFCDRN CCc1cc(NCc2c(O)cccc2Cl)nn1C ZINC000817709461 632688939 /nfs/dbraw/zinc/68/89/39/632688939.db2.gz ZNLRNRLKVVWIJV-UHFFFAOYSA-N 0 0 265.744 2.954 20 10 CFCDRN O=C(NC[C@H]1CC12CCSCC2)C1=CC(=O)CS1 ZINC000817764861 632709294 /nfs/dbraw/zinc/70/92/94/632709294.db2.gz MIWUJGDGMXCPQA-SECBINFHSA-N 0 0 283.418 2.717 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3ccn(C)n3)cc12 ZINC000817761513 632709316 /nfs/dbraw/zinc/70/93/16/632709316.db2.gz LNHYIIPWAQRBJO-UHFFFAOYSA-N 0 0 283.331 2.748 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cc3cnn(C)c3)cc12 ZINC000817762612 632709401 /nfs/dbraw/zinc/70/94/01/632709401.db2.gz WUPXQUSFZXYRFL-UHFFFAOYSA-N 0 0 297.358 2.677 20 10 CFCDRN O=C(C[C@@H]1CCCC[C@H]1O)NCc1cc(Cl)ccc1O ZINC000846473051 632715478 /nfs/dbraw/zinc/71/54/78/632715478.db2.gz IAPMZXCWQBMPSD-GXFFZTMASA-N 0 0 297.782 2.603 20 10 CFCDRN CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473627 632715642 /nfs/dbraw/zinc/71/56/42/632715642.db2.gz VDJMNTCBBDARBQ-CYBMUJFWSA-N 0 0 296.798 2.536 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474950 632716029 /nfs/dbraw/zinc/71/60/29/632716029.db2.gz CYZMCIIAOAENNC-SNVBAGLBSA-N 0 0 253.729 2.708 20 10 CFCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846475288 632716284 /nfs/dbraw/zinc/71/62/84/632716284.db2.gz BQYKGFNTMQWJGM-GXFFZTMASA-N 0 0 297.782 2.867 20 10 CFCDRN CCCc1cc(C(=O)NCc2cc(Cl)ccc2O)no1 ZINC000846475707 632716447 /nfs/dbraw/zinc/71/64/47/632716447.db2.gz GMYMBHBAZUJSDJ-UHFFFAOYSA-N 0 0 294.738 2.916 20 10 CFCDRN CC(F)(F)CC(=O)NCc1cc(Cl)ccc1O ZINC000846474596 632716729 /nfs/dbraw/zinc/71/67/29/632716729.db2.gz WDEIZOLDNSCFGF-UHFFFAOYSA-N 0 0 263.671 2.707 20 10 CFCDRN CSCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846474795 632716699 /nfs/dbraw/zinc/71/66/99/632716699.db2.gz BUDZCBWBEKXNOT-UHFFFAOYSA-N 0 0 273.785 2.805 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000817881464 632717171 /nfs/dbraw/zinc/71/71/71/632717171.db2.gz UJCOAMOJLYSVSE-CHWSQXEVSA-N 0 0 277.364 2.694 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC12CCC2 ZINC000846477408 632717490 /nfs/dbraw/zinc/71/74/90/632717490.db2.gz TXNFCNKFCHIXOE-NSHDSACASA-N 0 0 265.740 2.852 20 10 CFCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1C ZINC000846479253 632718137 /nfs/dbraw/zinc/71/81/37/632718137.db2.gz IRYCNVKMDQRIQM-UHFFFAOYSA-N 0 0 292.766 2.931 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCS1 ZINC000846477960 632718313 /nfs/dbraw/zinc/71/83/13/632718313.db2.gz YDMBFVMDMTZBSH-NSHDSACASA-N 0 0 271.769 2.557 20 10 CFCDRN CC[C@@H]([NH2+]CCNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951302 632751574 /nfs/dbraw/zinc/75/15/74/632751574.db2.gz DEDLSEAUSQYBJT-SNVBAGLBSA-N 0 0 277.195 2.959 20 10 CFCDRN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959516 632757590 /nfs/dbraw/zinc/75/75/90/632757590.db2.gz SFBFSCBDKNUJPY-ONGXEEELSA-N 0 0 272.339 2.694 20 10 CFCDRN C[C@H](NCC(F)(F)CN)c1cc2c(cc1O)CCCC2 ZINC000817966776 632766507 /nfs/dbraw/zinc/76/65/07/632766507.db2.gz VJEQXRSQSJQYNT-JTQLQIEISA-N 0 0 284.350 2.516 20 10 CFCDRN CC[C@H](NCC(F)(F)CN)c1cc(Cl)ccc1O ZINC000817968699 632767232 /nfs/dbraw/zinc/76/72/32/632767232.db2.gz WDRPEZDSNWPGTL-JTQLQIEISA-N 0 0 278.730 2.680 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)CC1 ZINC000846665180 632768351 /nfs/dbraw/zinc/76/83/51/632768351.db2.gz HHFYHZBVPJVXNI-MQMHXKEQSA-N 0 0 260.381 2.754 20 10 CFCDRN COc1cccc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000846745955 632781982 /nfs/dbraw/zinc/78/19/82/632781982.db2.gz PVVUIZJGRJRNQL-UHFFFAOYSA-N 0 0 299.374 2.539 20 10 CFCDRN Nc1ccc(CCNC(=O)c2scnc2C2CC2)cc1 ZINC000818544968 632863174 /nfs/dbraw/zinc/86/31/74/632863174.db2.gz ZATNTRLSRWSXPV-UHFFFAOYSA-N 0 0 287.388 2.575 20 10 CFCDRN CCCNC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846994261 632872397 /nfs/dbraw/zinc/87/23/97/632872397.db2.gz UERBXZQPIJNJIJ-UHFFFAOYSA-N 0 0 289.404 2.773 20 10 CFCDRN Cc1cc(O)c(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000818630505 632885230 /nfs/dbraw/zinc/88/52/30/632885230.db2.gz PPTNBROHFBTXEA-AWEZNQCLSA-N 0 0 279.380 2.846 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)(CC)CO ZINC000847399812 632982765 /nfs/dbraw/zinc/98/27/65/632982765.db2.gz VIYOGVMXUMRQAT-KRWDZBQOSA-N 0 0 292.423 2.510 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(F)=C2CCC2)cc1F ZINC000819197088 633012856 /nfs/dbraw/zinc/01/28/56/633012856.db2.gz XCEGDAMBJFIDCK-UHFFFAOYSA-N 0 0 280.318 2.915 20 10 CFCDRN COC[C@@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000819395476 633146380 /nfs/dbraw/zinc/14/63/80/633146380.db2.gz MNXUOYJJOJDCBP-INIZCTEOSA-N 0 0 272.348 2.849 20 10 CFCDRN C[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000819396742 633147165 /nfs/dbraw/zinc/14/71/65/633147165.db2.gz AOXUIUFLCHVSSU-WCQYABFASA-N 0 0 277.364 2.583 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)CCOCC ZINC000819398324 633147622 /nfs/dbraw/zinc/14/76/22/633147622.db2.gz LBKSHLZACLKALM-ZDUSSCGKSA-N 0 0 267.369 2.675 20 10 CFCDRN COCCOc1ccccc1NC[C@H](O)CCC(C)C ZINC000819425699 633158554 /nfs/dbraw/zinc/15/85/54/633158554.db2.gz HFTPZZHWMVPWHG-CQSZACIVSA-N 0 0 281.396 2.921 20 10 CFCDRN Cc1nn(C(C)C)cc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000848618317 633299080 /nfs/dbraw/zinc/29/90/80/633299080.db2.gz RZDZCHFBCCERCD-UHFFFAOYSA-N 0 0 297.362 2.995 20 10 CFCDRN CN(C)c1ccc(/C=C\C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848638608 633305757 /nfs/dbraw/zinc/30/57/57/633305757.db2.gz AARYUVWBNJSBRD-PLNGDYQASA-N 0 0 288.391 2.705 20 10 CFCDRN COc1c(C)ncnc1NCCCSc1nccs1 ZINC000848665356 633313312 /nfs/dbraw/zinc/31/33/12/633313312.db2.gz UZYJDGYBUQKWSZ-UHFFFAOYSA-N 0 0 296.421 2.844 20 10 CFCDRN CCc1cccc(CN(C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000848890301 633365048 /nfs/dbraw/zinc/36/50/48/633365048.db2.gz RVWIPWCZSNAEEN-LBPRGKRZSA-N 0 0 279.380 2.727 20 10 CFCDRN CCc1cccc(CN(C)[C@@H](C)c2nc(C)no2)c1O ZINC000848926000 633408292 /nfs/dbraw/zinc/40/82/92/633408292.db2.gz OZWOHGZITSCXMZ-JTQLQIEISA-N 0 0 275.352 2.839 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2cc(C)c(C)cc2O)n1 ZINC000848925948 633408547 /nfs/dbraw/zinc/40/85/47/633408547.db2.gz OCMQFCAGJAZXMU-NSHDSACASA-N 0 0 275.352 2.893 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2cc(C)ccc2O)n1 ZINC000848925799 633408831 /nfs/dbraw/zinc/40/88/31/633408831.db2.gz KYJFDVKUFXRERB-SNVBAGLBSA-N 0 0 261.325 2.585 20 10 CFCDRN Cc1cc(NC(=O)NCCCSc2nccs2)no1 ZINC000115171263 635976840 /nfs/dbraw/zinc/97/68/40/635976840.db2.gz MKJKRSIXNWRBQP-UHFFFAOYSA-N 0 0 298.393 2.743 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C)cc1F ZINC000109033515 633784507 /nfs/dbraw/zinc/78/45/07/633784507.db2.gz SHHXCNGTAWRCNI-BXUZGUMPSA-N 0 0 293.386 2.880 20 10 CFCDRN CC[C@H](C)NC(=O)CSc1ncc(Cl)s1 ZINC000849997626 633786684 /nfs/dbraw/zinc/78/66/84/633786684.db2.gz BEPHIXKWLWVZHD-LURJTMIESA-N 0 0 264.803 2.803 20 10 CFCDRN CCCCn1nnnc1CSc1ncc(Cl)s1 ZINC000849997877 633786922 /nfs/dbraw/zinc/78/69/22/633786922.db2.gz FLTKOGDQOZIFCU-UHFFFAOYSA-N 0 0 289.817 2.875 20 10 CFCDRN O=S1(=O)CCC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000196 633786863 /nfs/dbraw/zinc/78/68/63/633786863.db2.gz LYSAXQRUKBHKDK-ZETCQYMHSA-N 0 0 297.854 2.713 20 10 CFCDRN CC(C)CNC(=O)CSc1ncc(Cl)s1 ZINC000849999043 633787124 /nfs/dbraw/zinc/78/71/24/633787124.db2.gz VVGGZTHOWPRCRJ-UHFFFAOYSA-N 0 0 264.803 2.661 20 10 CFCDRN CO[C@H](CSc1ncc(Cl)s1)[C@@H]1CCOC1 ZINC000850002062 633787568 /nfs/dbraw/zinc/78/75/68/633787568.db2.gz RAZBKMPGMSNJGS-HTQZYQBOSA-N 0 0 279.814 2.940 20 10 CFCDRN C[C@@H]1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352625 633952013 /nfs/dbraw/zinc/95/20/13/633952013.db2.gz CMPOPXQULJQYGF-DUIDPNDXSA-N 0 0 297.406 2.653 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388621 633971762 /nfs/dbraw/zinc/97/17/62/633971762.db2.gz OGYTYXICZSZQNE-JTQLQIEISA-N 0 0 287.762 2.683 20 10 CFCDRN COC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000850486014 634014441 /nfs/dbraw/zinc/01/44/41/634014441.db2.gz QJBBTVXKFJQUQG-ZYHUDNBSSA-N 0 0 287.787 2.748 20 10 CFCDRN C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)cc1O ZINC000850499078 634018278 /nfs/dbraw/zinc/01/82/78/634018278.db2.gz JEUMNFSVCHGFTF-PTRXPTGYSA-N 0 0 292.770 2.994 20 10 CFCDRN CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000850520338 634029304 /nfs/dbraw/zinc/02/93/04/634029304.db2.gz ADGJUBPGUNQJJE-DGCLKSJQSA-N 0 0 289.297 2.996 20 10 CFCDRN CSCC[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858232840 636159787 /nfs/dbraw/zinc/15/97/87/636159787.db2.gz GJIQADNARGXBFX-LLVKDONJSA-N 0 0 282.409 2.641 20 10 CFCDRN C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000850553667 634050751 /nfs/dbraw/zinc/05/07/51/634050751.db2.gz AICYBNITFKPJFJ-GRZMOONWSA-N 0 0 285.334 2.872 20 10 CFCDRN CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850554799 634052984 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Cc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000853232859 634946732 /nfs/dbraw/zinc/94/67/32/634946732.db2.gz IXAHQGKGMDGTQH-AWEZNQCLSA-N 0 0 298.390 2.795 20 10 CFCDRN COc1cc(O)c(CNc2ccc(N)c(C)c2)cc1OC ZINC000853249030 634951693 /nfs/dbraw/zinc/95/16/93/634951693.db2.gz BLXCUJYTJAVUTO-UHFFFAOYSA-N 0 0 288.347 2.912 20 10 CFCDRN CCOC(=O)c1cnc(S[C@H]2CCCOC2)s1 ZINC000853473868 635010107 /nfs/dbraw/zinc/01/01/07/635010107.db2.gz UESMTNFWGIRMLR-QMMMGPOBSA-N 0 0 273.379 2.591 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@](C)(C(F)F)C2)cc1C ZINC000853633147 635054785 /nfs/dbraw/zinc/05/47/85/635054785.db2.gz QBVUPXUPUTUXLZ-HNNXBMFYSA-N 0 0 285.334 2.865 20 10 CFCDRN CN(C)c1ccc(OCCO[C@H]2CC2(F)F)cc1 ZINC000853694413 635077707 /nfs/dbraw/zinc/07/77/07/635077707.db2.gz ZOXRPMOTJDZYGI-LBPRGKRZSA-N 0 0 257.280 2.556 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3nc(C)cc(C)n3)C2)cc1 ZINC000853759273 635097187 /nfs/dbraw/zinc/09/71/87/635097187.db2.gz QMZUFPASELFOFZ-CQSZACIVSA-N 0 0 298.390 2.793 20 10 CFCDRN 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CFCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccccc2)c1O ZINC000112115115 635280508 /nfs/dbraw/zinc/28/05/08/635280508.db2.gz QLFAGSFNIXLNQC-CYBMUJFWSA-N 0 0 299.370 2.896 20 10 CFCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H]1CCOC(C)(C)C1 ZINC000854502184 635319421 /nfs/dbraw/zinc/31/94/21/635319421.db2.gz VZERTCIXORFCNI-SNVBAGLBSA-N 0 0 283.393 2.873 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c(O)c1O ZINC000855002076 635437947 /nfs/dbraw/zinc/43/79/47/635437947.db2.gz NSZBZGSWICRUBI-WCBMZHEXSA-N 0 0 287.319 2.505 20 10 CFCDRN CCn1cc(CN(C(=O)C2=CC(=O)CS2)C(C)C)cn1 ZINC000855024160 635444241 /nfs/dbraw/zinc/44/42/41/635444241.db2.gz HEPDFUGLDOMWIN-UHFFFAOYSA-N 0 0 293.392 2.721 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)CCC(C)C)C2)cc1 ZINC000855230781 635489922 /nfs/dbraw/zinc/48/99/22/635489922.db2.gz XZKYHLKNWFMCCS-AWEZNQCLSA-N 0 0 290.407 2.826 20 10 CFCDRN CC(C)Cc1nsc(NC(=O)C2=CC(=O)CS2)n1 ZINC000855707476 635621647 /nfs/dbraw/zinc/62/16/47/635621647.db2.gz NKBXAMADJDQQJH-UHFFFAOYSA-N 0 0 283.378 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650296480 /nfs/dbraw/zinc/29/64/80/650296480.db2.gz IBIRGDDLQOLEAZ-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H](C)C(F)(F)F)c(O)c1 ZINC000861490330 637200195 /nfs/dbraw/zinc/20/01/95/637200195.db2.gz RMXSTUBCQCYGCV-MRVPVSSYSA-N 0 0 291.269 2.606 20 10 CFCDRN CC1(CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862026372 637265820 /nfs/dbraw/zinc/26/58/20/637265820.db2.gz LYOMZOXSVPUXCO-UHFFFAOYSA-N 0 0 270.332 2.747 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C(F)=C1CCC1 ZINC000862025331 637266125 /nfs/dbraw/zinc/26/61/25/637266125.db2.gz SPUXQMJSNPAKGK-UHFFFAOYSA-N 0 0 286.306 2.964 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862027502 637266982 /nfs/dbraw/zinc/26/69/82/637266982.db2.gz VEHJXAAFDQYRQY-SNVBAGLBSA-N 0 0 270.332 2.603 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCSCC2)cc1F ZINC000862215102 637288644 /nfs/dbraw/zinc/28/86/44/637288644.db2.gz CSAGEXPOUOVGIE-UHFFFAOYSA-N 0 0 272.364 2.580 20 10 CFCDRN Cc1cc(CN(C)Cc2cc(F)c(N(C)C)cc2F)no1 ZINC000862223176 637290264 /nfs/dbraw/zinc/29/02/64/637290264.db2.gz GERCFZBOXHXDBO-UHFFFAOYSA-N 0 0 295.333 2.959 20 10 CFCDRN C[C@H]1CSCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862245730 637297187 /nfs/dbraw/zinc/29/71/87/637297187.db2.gz WBVUMIQMVOBFIZ-JTQLQIEISA-N 0 0 286.391 2.968 20 10 CFCDRN CN(Cc1cn[nH]c1)Cc1c(O)cccc1Br ZINC000862245513 637297754 /nfs/dbraw/zinc/29/77/54/637297754.db2.gz QYLQURHYEPJROB-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN Oc1cccc(Br)c1CN(C1CC1)C1COC1 ZINC000862381930 637348042 /nfs/dbraw/zinc/34/80/42/637348042.db2.gz KHQWCJYVHPPRDW-UHFFFAOYSA-N 0 0 298.180 2.518 20 10 CFCDRN CS[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862384720 637348294 /nfs/dbraw/zinc/34/82/94/637348294.db2.gz HZLKWKLOFHNYEP-NSHDSACASA-N 0 0 286.391 2.968 20 10 CFCDRN CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000862387358 637349983 /nfs/dbraw/zinc/34/99/83/637349983.db2.gz KMBNWMVKYCACJG-VIFPVBQESA-N 0 0 275.751 2.778 20 10 CFCDRN COc1cccc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862449238 637389013 /nfs/dbraw/zinc/38/90/13/637389013.db2.gz CYJBSACFRNIXJW-UHFFFAOYSA-N 0 0 271.316 2.622 20 10 CFCDRN COC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000862466574 637393374 /nfs/dbraw/zinc/39/33/74/637393374.db2.gz PFBUCXOZNGCXLR-VIFPVBQESA-N 0 0 299.729 2.536 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](CCF)C2)c(Cl)c1 ZINC000862529112 637407857 /nfs/dbraw/zinc/40/78/57/637407857.db2.gz BBHHZFNXZUNWHQ-NSHDSACASA-N 0 0 287.762 2.914 20 10 CFCDRN COC[C@@]1(C)CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000862550664 637422714 /nfs/dbraw/zinc/42/27/14/637422714.db2.gz GPJKZYFEXRKISD-OAHLLOKOSA-N 0 0 299.798 2.591 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccco2)c1 ZINC000862754056 637478287 /nfs/dbraw/zinc/47/82/87/637478287.db2.gz POKFZBHZILEPRG-LBPRGKRZSA-N 0 0 273.332 2.789 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCc1cc(C)ccc1O ZINC000862755110 637479611 /nfs/dbraw/zinc/47/96/11/637479611.db2.gz DDGHOFKIARLTLW-UHFFFAOYSA-N 0 0 258.321 2.521 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cnc(C(C)(C)C)nc2)c1 ZINC000862755012 637479771 /nfs/dbraw/zinc/47/97/71/637479771.db2.gz ARYODHYZUWLBOW-UHFFFAOYSA-N 0 0 299.374 2.718 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2conc2C(C)C)c1 ZINC000862754477 637479970 /nfs/dbraw/zinc/47/99/70/637479970.db2.gz ZDXKTRLITZPRKX-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000862757445 637480865 /nfs/dbraw/zinc/48/08/65/637480865.db2.gz UQZFKOFAQSRAAP-CJNGLKHVSA-N 0 0 261.365 2.999 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCN3C)c1 ZINC000862757014 637481138 /nfs/dbraw/zinc/48/11/38/637481138.db2.gz DDMLVBQQVHESMB-UHFFFAOYSA-N 0 0 296.370 2.623 20 10 CFCDRN CCc1nc(CC(=O)NCc2cc(C)ccc2O)cs1 ZINC000862758626 637481885 /nfs/dbraw/zinc/48/18/85/637481885.db2.gz DXOKOROGVNCYEZ-UHFFFAOYSA-N 0 0 290.388 2.578 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2cccnc2)c1 ZINC000862758189 637482623 /nfs/dbraw/zinc/48/26/23/637482623.db2.gz RXHDZKUDRZWJFE-UHFFFAOYSA-N 0 0 284.359 2.690 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC23CCCC3)c1 ZINC000862758090 637482695 /nfs/dbraw/zinc/48/26/95/637482695.db2.gz OJDDTRIUJVNQBY-ZDUSSCGKSA-N 0 0 259.349 2.897 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1O ZINC000119212563 637532842 /nfs/dbraw/zinc/53/28/42/637532842.db2.gz MPOGSPFBJRPGKS-RRUGBERISA-N 0 0 269.410 2.590 20 10 CFCDRN CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]2C[C@H]2C1 ZINC000863122334 637564881 /nfs/dbraw/zinc/56/48/81/637564881.db2.gz DJWQGPQXTGVMSW-NQVHBSFJSA-N 0 0 287.359 2.663 20 10 CFCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557852 637695837 /nfs/dbraw/zinc/69/58/37/637695837.db2.gz XYZLDLYPQIFRAB-BBRMVZONSA-N 0 0 289.423 2.742 20 10 CFCDRN C[C@H](Cc1nc(Cc2ccc(N)cc2)no1)C(F)(F)F ZINC000863656914 637729384 /nfs/dbraw/zinc/72/93/84/637729384.db2.gz VHKKGZSUBYTODN-MRVPVSSYSA-N 0 0 285.269 2.984 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000189111101 650361512 /nfs/dbraw/zinc/36/15/12/650361512.db2.gz DCTYQRZSRJWGPK-DTWKUNHWSA-N 0 0 288.185 2.668 20 10 CFCDRN Cc1cc(O)c(CNc2cc(C(N)=O)ccc2F)cc1C ZINC000863997460 637834259 /nfs/dbraw/zinc/83/42/59/637834259.db2.gz BJRYTGQDSYIBGK-UHFFFAOYSA-N 0 0 288.322 2.859 20 10 CFCDRN C[C@@H](CO)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050121 637843804 /nfs/dbraw/zinc/84/38/04/637843804.db2.gz VNUYCLCDAYMRTJ-JTQLQIEISA-N 0 0 285.334 2.511 20 10 CFCDRN CCC1([NH+](C)C)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050943 637845465 /nfs/dbraw/zinc/84/54/65/637845465.db2.gz WGAMUOMALXTFCI-UHFFFAOYSA-N 0 0 298.377 2.977 20 10 CFCDRN CCCn1cc(/C=C2\c3cc(C)ccc3N(C)C2=O)nn1 ZINC000865225047 638227955 /nfs/dbraw/zinc/22/79/55/638227955.db2.gz XLIFHHWDHSYMQY-NTEUORMPSA-N 0 0 282.347 2.514 20 10 CFCDRN CSCCCNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269385 638249300 /nfs/dbraw/zinc/24/93/00/638249300.db2.gz KRXQCSIEXLVVQP-JTQLQIEISA-N 0 0 284.450 2.670 20 10 CFCDRN Oc1cccc(Cl)c1CNc1ncc2c(n1)CCOC2 ZINC000865294662 638261897 /nfs/dbraw/zinc/26/18/97/638261897.db2.gz RKDZSXAKSPFEAK-UHFFFAOYSA-N 0 0 291.738 2.520 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc([C@@H]3C[C@@H]3C)o2)c1 ZINC000865295808 638262930 /nfs/dbraw/zinc/26/29/30/638262930.db2.gz LFIROGGOTFAAOB-GXSJLCMTSA-N 0 0 259.309 2.819 20 10 CFCDRN CCc1cc(SCC(=O)C(C)=O)c(C)cc1OC ZINC000865378333 638296351 /nfs/dbraw/zinc/29/63/51/638296351.db2.gz MFEPQWPIQLSDJH-UHFFFAOYSA-N 0 0 266.362 2.816 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(F)CC2)cc1 ZINC000866093781 638734513 /nfs/dbraw/zinc/73/45/13/638734513.db2.gz PQEQDPOBOXLSAK-UHFFFAOYSA-N 0 0 293.386 2.786 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)O[C@H](C)COC ZINC000866442244 638821551 /nfs/dbraw/zinc/82/15/51/638821551.db2.gz HSOFVGFVPFEILQ-CYBMUJFWSA-N 0 0 294.395 2.746 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866500444 638831079 /nfs/dbraw/zinc/83/10/79/638831079.db2.gz SSMQHALHRSWQBU-BDODKLCJSA-N 0 0 290.241 2.902 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)OC)c1 ZINC000866504694 638831786 /nfs/dbraw/zinc/83/17/86/638831786.db2.gz NAFZQFYYTVFBSK-NSHDSACASA-N 0 0 295.379 2.645 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)OC)c1 ZINC000866504693 638831811 /nfs/dbraw/zinc/83/18/11/638831811.db2.gz NAFZQFYYTVFBSK-LLVKDONJSA-N 0 0 295.379 2.645 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000866612658 638854269 /nfs/dbraw/zinc/85/42/69/638854269.db2.gz AYXNIGJGPLONMX-DTWKUNHWSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)cc1[O-] ZINC000866634133 638858293 /nfs/dbraw/zinc/85/82/93/638858293.db2.gz OVTXUQLJCHHVTP-MFKMUULPSA-N 0 0 275.327 2.914 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866635660 638858749 /nfs/dbraw/zinc/85/87/49/638858749.db2.gz RZJPMGQKZFLBDN-HBNTYKKESA-N 0 0 282.340 2.501 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1 ZINC000866767932 638874208 /nfs/dbraw/zinc/87/42/08/638874208.db2.gz ZYKBWVYRYQYRLM-CHWSQXEVSA-N 0 0 277.364 2.699 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1 ZINC000866765079 638874271 /nfs/dbraw/zinc/87/42/71/638874271.db2.gz QZRGGTFOFANYLI-PCAYGOKWSA-N 0 0 289.375 2.870 20 10 CFCDRN CCCOC(=O)[C@H](C)N(C)c1ccc(OC)c(F)c1 ZINC000121710489 638886214 /nfs/dbraw/zinc/88/62/14/638886214.db2.gz YYTRJSHABNVPAW-JTQLQIEISA-N 0 0 269.316 2.612 20 10 CFCDRN C[C@@H](NS(=O)(=O)CC1CCCC1)c1ccccc1O ZINC000867834432 638900167 /nfs/dbraw/zinc/90/01/67/638900167.db2.gz OJKRUKXXJRAURA-LLVKDONJSA-N 0 0 283.393 2.563 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccn1 ZINC000868017395 638915273 /nfs/dbraw/zinc/91/52/73/638915273.db2.gz UWPXSUXFDKRYJQ-NWDGAFQWSA-N 0 0 285.347 2.909 20 10 CFCDRN CSCCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868274313 638933371 /nfs/dbraw/zinc/93/33/71/638933371.db2.gz YSQRKCHUVCAXOM-JTQLQIEISA-N 0 0 268.382 2.506 20 10 CFCDRN CCCC[C@@H](COC)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868276587 638933937 /nfs/dbraw/zinc/93/39/37/638933937.db2.gz FMRQKJQLKJIGAT-STQMWFEESA-N 0 0 294.395 2.958 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccncc1)c1ccccc1O ZINC000868340953 638939297 /nfs/dbraw/zinc/93/92/97/638939297.db2.gz KGPAOAMDLGHIBR-QWHCGFSZSA-N 0 0 299.374 2.779 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000868404082 638943270 /nfs/dbraw/zinc/94/32/70/638943270.db2.gz DJADXJYJFHLSGE-NEPJUHHUSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)C1CCOCC1)c1ccccc1O ZINC000868404084 638943378 /nfs/dbraw/zinc/94/33/78/638943378.db2.gz DJADXJYJFHLSGE-NWDGAFQWSA-N 0 0 292.379 2.568 20 10 CFCDRN CS[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868433762 638945215 /nfs/dbraw/zinc/94/52/15/638945215.db2.gz XGFBGOBOQXNJEL-ZJUUUORDSA-N 0 0 268.382 2.504 20 10 CFCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc[nH]1 ZINC000868451384 638946776 /nfs/dbraw/zinc/94/67/76/638946776.db2.gz OSIGWFYSNHDCQE-QWRGUYRKSA-N 0 0 273.336 2.842 20 10 CFCDRN C[C@H](NC(=O)NC1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868467084 638947580 /nfs/dbraw/zinc/94/75/80/638947580.db2.gz YNIXTCBKAIPVAA-SRVKXCTJSA-N 0 0 292.379 2.708 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCOC1 ZINC000868486789 638949470 /nfs/dbraw/zinc/94/94/70/638949470.db2.gz JTYNYRBYDVDZCJ-AGIUHOORSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)NCC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000868516016 638952195 /nfs/dbraw/zinc/95/21/95/638952195.db2.gz ZQHUZWAUADIXKY-LLVKDONJSA-N 0 0 281.375 2.861 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CSC1(C)C)c1ccccc1O ZINC000868585252 638958763 /nfs/dbraw/zinc/95/87/63/638958763.db2.gz FAQRBFLNEKSDEF-CABZTGNLSA-N 0 0 280.393 2.646 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1CCCSC1)c1ccccc1O ZINC000868613294 638962047 /nfs/dbraw/zinc/96/20/47/638962047.db2.gz SJHISIDFZHGIPT-RYUDHWBXSA-N 0 0 294.420 2.896 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CCCSC1)c1ccccc1O ZINC000868613292 638962159 /nfs/dbraw/zinc/96/21/59/638962159.db2.gz SJHISIDFZHGIPT-NEPJUHHUSA-N 0 0 294.420 2.896 20 10 CFCDRN CO[C@@](C)(CNC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868635210 638963758 /nfs/dbraw/zinc/96/37/58/638963758.db2.gz WDPVSQOSEZAYIA-BZNIZROVSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](NC(=O)NCC1CC(F)(F)C1)c1ccccc1O ZINC000868638452 638964090 /nfs/dbraw/zinc/96/40/90/638964090.db2.gz WGFWSSHOHWPLFO-VIFPVBQESA-N 0 0 284.306 2.798 20 10 CFCDRN CC[C@](C)(CNC(=O)N[C@H](C)c1ccccc1O)OC ZINC000868668870 638967567 /nfs/dbraw/zinc/96/75/67/638967567.db2.gz PWBYIOJVTYUHDK-IAQYHMDHSA-N 0 0 280.368 2.568 20 10 CFCDRN Cc1ccc(CCNC(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000868694904 638969796 /nfs/dbraw/zinc/96/97/96/638969796.db2.gz ZKIYZXPBPOUKKF-CYBMUJFWSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CS[C@H](C)C1)c1ccccc1O ZINC000868704073 638971240 /nfs/dbraw/zinc/97/12/40/638971240.db2.gz NXYQAAAIXYGGJJ-VWYCJHECSA-N 0 0 280.393 2.646 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CS[C@H](C)C1)c1ccccc1O ZINC000868704072 638971329 /nfs/dbraw/zinc/97/13/29/638971329.db2.gz NXYQAAAIXYGGJJ-OUAUKWLOSA-N 0 0 280.393 2.646 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1O ZINC000868705580 638971333 /nfs/dbraw/zinc/97/13/33/638971333.db2.gz GAGZKMYMIYMLHG-FVCCEPFGSA-N 0 0 292.379 2.566 20 10 CFCDRN COC1([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000868706948 638971690 /nfs/dbraw/zinc/97/16/90/638971690.db2.gz NTSHEDXDCIVSGT-NWDGAFQWSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1O ZINC000868710065 638972068 /nfs/dbraw/zinc/97/20/68/638972068.db2.gz FMJJNWGHYTYPCG-CYZMBNFOSA-N 0 0 286.331 2.902 20 10 CFCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(C)C ZINC000868710378 638972098 /nfs/dbraw/zinc/97/20/98/638972098.db2.gz IEGBMJRBMHBMHO-CHWSQXEVSA-N 0 0 294.395 2.814 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1ccccn1)c1ccccc1O ZINC000868751279 638975521 /nfs/dbraw/zinc/97/55/21/638975521.db2.gz BPXSZQLSTAAROR-QWHCGFSZSA-N 0 0 299.374 2.779 20 10 CFCDRN C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)C ZINC000122300208 638980510 /nfs/dbraw/zinc/98/05/10/638980510.db2.gz XZVIQMIQJXNGMI-LUAWRHEFSA-N 0 0 277.364 2.749 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H]2CCCS2)c1 ZINC000868973753 638998520 /nfs/dbraw/zinc/99/85/20/638998520.db2.gz YLBNIQAVDJOSFO-CYBMUJFWSA-N 0 0 294.420 2.786 20 10 CFCDRN CC/C=C(\F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000869229004 639090018 /nfs/dbraw/zinc/09/00/18/639090018.db2.gz RGILYAMNHHLIIZ-OHQFCFGZSA-N 0 0 292.354 2.654 20 10 CFCDRN CC/C=C(/F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000869229003 639090199 /nfs/dbraw/zinc/09/01/99/639090199.db2.gz RGILYAMNHHLIIZ-KTJDTBGWSA-N 0 0 292.354 2.654 20 10 CFCDRN CCO[C@@H](C(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000869410252 639215115 /nfs/dbraw/zinc/21/51/15/639215115.db2.gz IZPXSCCOFAOFGN-MRXNPFEDSA-N 0 0 291.391 2.912 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1 ZINC000122720165 639351487 /nfs/dbraw/zinc/35/14/87/639351487.db2.gz UPFMIROQGAGXLV-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC000869719779 639369647 /nfs/dbraw/zinc/36/96/47/639369647.db2.gz ZXULBFXCNBJFNC-QGZVFWFLSA-N 0 0 290.359 2.593 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCC12CC2 ZINC000869749114 639380477 /nfs/dbraw/zinc/38/04/77/639380477.db2.gz QDDCFNVLFBNIAA-SDQPKGBYSA-N 0 0 273.332 2.560 20 10 CFCDRN COC/C=C\C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000870437178 639636475 /nfs/dbraw/zinc/63/64/75/639636475.db2.gz DUQGOZSMZNGYCN-WAYWQWQTSA-N 0 0 273.332 2.903 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@]12C[C@@H]1CCCC2 ZINC000870537598 639709402 /nfs/dbraw/zinc/70/94/02/639709402.db2.gz WBNCLDVKOCDWMD-YZNJAIBTSA-N 0 0 273.332 2.560 20 10 CFCDRN CC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000193015092 650616229 /nfs/dbraw/zinc/61/62/29/650616229.db2.gz AVOAPSQJJUSNEJ-CYBMUJFWSA-N 0 0 285.343 2.849 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(F)c1F ZINC000193150950 650628117 /nfs/dbraw/zinc/62/81/17/650628117.db2.gz CNFSFXQMSDIJEV-MRVPVSSYSA-N 0 0 293.269 2.867 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000123327180 641087934 /nfs/dbraw/zinc/08/79/34/641087934.db2.gz XOWFKRSRJNKPML-GFCCVEGCSA-N 0 0 278.396 2.572 20 10 CFCDRN O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000871120869 641211401 /nfs/dbraw/zinc/21/14/01/641211401.db2.gz WEOIHXLEJHMSHS-AAEUAGOBSA-N 0 0 281.377 2.531 20 10 CFCDRN Cc1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871199304 641240821 /nfs/dbraw/zinc/24/08/21/641240821.db2.gz VWUNRSZBZMVRHD-UHFFFAOYSA-N 0 0 274.345 2.622 20 10 CFCDRN CSCCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202845 641242955 /nfs/dbraw/zinc/24/29/55/641242955.db2.gz NMJVAERSSYXPAC-UHFFFAOYSA-N 0 0 265.378 2.768 20 10 CFCDRN O=C([C@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000871204190 641244086 /nfs/dbraw/zinc/24/40/86/641244086.db2.gz ASEYNEMDCBLBEO-VIFPVBQESA-N 0 0 267.275 2.670 20 10 CFCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204197 641244137 /nfs/dbraw/zinc/24/41/37/641244137.db2.gz AYQWLZUAQKELEX-TZMCWYRMSA-N 0 0 291.391 2.812 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204492 641244168 /nfs/dbraw/zinc/24/41/68/641244168.db2.gz LLTXHGHHSSGILW-XJKSGUPXSA-N 0 0 259.349 2.917 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)C1(F)CCCCC1 ZINC000871204515 641244199 /nfs/dbraw/zinc/24/41/99/641244199.db2.gz FAJKJIJSRUKQIG-UHFFFAOYSA-N 0 0 263.312 2.907 20 10 CFCDRN O=C(c1coc(C2CCC2)n1)N1Cc2cccc(O)c2C1 ZINC000871205037 641244483 /nfs/dbraw/zinc/24/44/83/641244483.db2.gz UDNILLTXKZBLGR-UHFFFAOYSA-N 0 0 284.315 2.804 20 10 CFCDRN O=C([C@@H]1C[C@H]1C1CCC1)N1Cc2cccc(O)c2C1 ZINC000871205744 641244989 /nfs/dbraw/zinc/24/49/89/641244989.db2.gz KPNKQXAGXMOXEE-QWHCGFSZSA-N 0 0 257.333 2.671 20 10 CFCDRN Cc1cc(NC(=O)CNc2ccccc2NC(C)C)on1 ZINC000871847528 641479764 /nfs/dbraw/zinc/47/97/64/641479764.db2.gz SRJZNEYBGFYWRH-UHFFFAOYSA-N 0 0 288.351 2.854 20 10 CFCDRN COCCc1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846830 641479864 /nfs/dbraw/zinc/47/98/64/641479864.db2.gz CKAQUCBKWKKRRX-UHFFFAOYSA-N 0 0 290.367 2.691 20 10 CFCDRN CC(C)Nc1ccccc1NCC(=O)NCc1ccco1 ZINC000871846937 641479872 /nfs/dbraw/zinc/47/98/72/641479872.db2.gz HFBAKOXNWGRJCC-UHFFFAOYSA-N 0 0 287.363 2.828 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])C2CC2)cc1C ZINC000871878564 641495020 /nfs/dbraw/zinc/49/50/20/641495020.db2.gz OJWDUJZASWKRGL-OAHLLOKOSA-N 0 0 277.364 2.737 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000871879858 641496420 /nfs/dbraw/zinc/49/64/20/641496420.db2.gz LIVXTPUKYZYPEV-KCPJHIHWSA-N 0 0 291.391 2.983 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193896003 650708553 /nfs/dbraw/zinc/70/85/53/650708553.db2.gz BWKFKSUJXLGRAT-LLVKDONJSA-N 0 0 299.330 2.597 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Cl)no2)cc1 ZINC000873860572 642302050 /nfs/dbraw/zinc/30/20/50/642302050.db2.gz QDRQOJRTIHETHX-UHFFFAOYSA-N 0 0 293.754 2.666 20 10 CFCDRN CCCNC(=O)CN(CCC)Cc1c(O)cccc1Cl ZINC000124786342 642322411 /nfs/dbraw/zinc/32/24/11/642322411.db2.gz LGROPWXYSUGQHU-UHFFFAOYSA-N 0 0 298.814 2.784 20 10 CFCDRN Cc1noc2ncnc(NCc3ccc(N(C)C)cc3)c12 ZINC000195506474 650756389 /nfs/dbraw/zinc/75/63/89/650756389.db2.gz HGQGBGYSWPHLAP-UHFFFAOYSA-N 0 0 283.335 2.604 20 10 CFCDRN Cc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)o1 ZINC000875080199 642583009 /nfs/dbraw/zinc/58/30/09/642583009.db2.gz JVAULNUMLWFYLG-UHFFFAOYSA-N 0 0 286.331 2.562 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000875137150 642588422 /nfs/dbraw/zinc/58/84/22/642588422.db2.gz VBPUKYMLADLGSO-CQSZACIVSA-N 0 0 296.370 2.840 20 10 CFCDRN O=C(NC[C@H]1Cc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000875136160 642589144 /nfs/dbraw/zinc/58/91/44/642589144.db2.gz GKCMUGBCIBMPGS-CQSZACIVSA-N 0 0 294.354 2.757 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875148024 642590809 /nfs/dbraw/zinc/59/08/09/642590809.db2.gz OBKMLOXDKMAHOS-GHMZBOCLSA-N 0 0 262.353 2.852 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875150001 642591788 /nfs/dbraw/zinc/59/17/88/642591788.db2.gz DFBLCECUUCDIBK-GDBMZVCRSA-N 0 0 294.354 2.974 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000875163124 642592876 /nfs/dbraw/zinc/59/28/76/642592876.db2.gz VDAURVJAGVAABX-CYBMUJFWSA-N 0 0 274.364 2.856 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875258859 642600236 /nfs/dbraw/zinc/60/02/36/642600236.db2.gz GWVKYXNOCUBOHO-AULYBMBSSA-N 0 0 274.364 2.996 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CCCSC1)c1ccccc1O ZINC000875345935 642611292 /nfs/dbraw/zinc/61/12/92/642611292.db2.gz XFIHRMASBNSHLJ-GHMZBOCLSA-N 0 0 280.393 2.648 20 10 CFCDRN CCC1(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875351685 642611778 /nfs/dbraw/zinc/61/17/78/642611778.db2.gz CIUWWIBKKAZSNO-UHFFFAOYSA-N 0 0 260.337 2.608 20 10 CFCDRN CCc1cnccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000875468283 642627569 /nfs/dbraw/zinc/62/75/69/642627569.db2.gz LPEDPQJCSBUFBX-LBPRGKRZSA-N 0 0 299.374 2.910 20 10 CFCDRN C[C@H]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875550883 642641287 /nfs/dbraw/zinc/64/12/87/642641287.db2.gz FELCQHPHUHBWCB-RYUDHWBXSA-N 0 0 274.364 2.854 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Nc2ncccn2)cc1 ZINC000888674717 642652005 /nfs/dbraw/zinc/65/20/05/642652005.db2.gz IXHYSTVTFADJFP-UHFFFAOYSA-N 0 0 299.378 2.645 20 10 CFCDRN C[C@@]1(CCNC(=O)N2Cc3cccc(O)c3C2)CC1(F)F ZINC000875741154 642676902 /nfs/dbraw/zinc/67/69/02/642676902.db2.gz XHPRJZBZSPZUDH-CQSZACIVSA-N 0 0 296.317 2.853 20 10 CFCDRN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875768944 642684457 /nfs/dbraw/zinc/68/44/57/642684457.db2.gz LPYHVBGZJHSRFV-BZPMIXESSA-N 0 0 286.375 2.854 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000086814229 650797412 /nfs/dbraw/zinc/79/74/12/650797412.db2.gz FBOGWWAYTSHDKW-OAHLLOKOSA-N 0 0 276.380 2.582 20 10 CFCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)[C@H]1CCCCO1 ZINC000876527895 642906092 /nfs/dbraw/zinc/90/60/92/642906092.db2.gz GYGVYZCECIRQOQ-OAHLLOKOSA-N 0 0 290.407 2.523 20 10 CFCDRN Nc1ccc(CCNC(=O)c2cccnc2C2CC2)cc1 ZINC000876528411 642906258 /nfs/dbraw/zinc/90/62/58/642906258.db2.gz XNTSBOPOBZACCY-UHFFFAOYSA-N 0 0 281.359 2.514 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCSC1 ZINC000876573439 642927334 /nfs/dbraw/zinc/92/73/34/642927334.db2.gz REAQVQCFJCEZAS-VIFPVBQESA-N 0 0 259.321 2.608 20 10 CFCDRN COCC[N@H+](Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876600858 642940506 /nfs/dbraw/zinc/94/05/06/642940506.db2.gz JZGCEQIWNDJXBH-UHFFFAOYSA-N 0 0 297.301 2.912 20 10 CFCDRN [O-]c1c(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC000876646856 642957403 /nfs/dbraw/zinc/95/74/03/642957403.db2.gz YLNZRXWQYGVPHW-CYBMUJFWSA-N 0 0 296.361 2.731 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc(F)c1F ZINC000876804901 643016535 /nfs/dbraw/zinc/01/65/35/643016535.db2.gz VTLDWOBYARUIMQ-YPMHNXCESA-N 0 0 283.318 2.671 20 10 CFCDRN COc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2n1 ZINC000088193136 650808724 /nfs/dbraw/zinc/80/87/24/650808724.db2.gz NXFKJPRPQQHINW-UHFFFAOYSA-N 0 0 268.320 2.700 20 10 CFCDRN CN(C)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876890967 643054162 /nfs/dbraw/zinc/05/41/62/643054162.db2.gz MUIGICMKVXLGOM-LBPRGKRZSA-N 0 0 296.317 2.656 20 10 CFCDRN Cc1cc(C)cc(NC(=O)c2cccc(O)c2O)c1 ZINC000126226135 643055727 /nfs/dbraw/zinc/05/57/27/643055727.db2.gz RZJMNWAQXOGCKS-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN Cc1ccc(C)c(NC(=O)c2cccc(O)c2O)c1 ZINC000126234192 643057674 /nfs/dbraw/zinc/05/76/74/643057674.db2.gz NQWKZNHZVYFCDJ-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2COc3ccccc3C2)ccc(F)c1F ZINC000876975792 643089447 /nfs/dbraw/zinc/08/94/47/643089447.db2.gz KVLQXZSZSPGABO-GFCCVEGCSA-N 0 0 291.297 2.764 20 10 CFCDRN Cc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)s1 ZINC000126304169 643111041 /nfs/dbraw/zinc/11/10/41/643111041.db2.gz SRYRLQQYANGZKG-VIFPVBQESA-N 0 0 277.345 2.959 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877039632 643115370 /nfs/dbraw/zinc/11/53/70/643115370.db2.gz HTVDMSHSOMDLNH-INIZCTEOSA-N 0 0 293.313 2.668 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877039093 643115658 /nfs/dbraw/zinc/11/56/58/643115658.db2.gz GPOMYUPUIHNSBP-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877073253 643135564 /nfs/dbraw/zinc/13/55/64/643135564.db2.gz GSTQSFWJWYAYOF-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN CN(C(=O)[C@H]1COC[C@@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877075105 643137436 /nfs/dbraw/zinc/13/74/36/643137436.db2.gz ZJEYVAHCUUCGFK-SJORKVTESA-N 0 0 296.370 2.662 20 10 CFCDRN CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc(N)cc1 ZINC000877078905 643139152 /nfs/dbraw/zinc/13/91/52/643139152.db2.gz JBFRXBVJPRQSTC-FUNVUKJBSA-N 0 0 286.375 2.627 20 10 CFCDRN CCCc1ncc(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077992 643139750 /nfs/dbraw/zinc/13/97/50/643139750.db2.gz YHRXPLDJDBESKE-UHFFFAOYSA-N 0 0 275.377 2.954 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000877083742 643142433 /nfs/dbraw/zinc/14/24/33/643142433.db2.gz PEGHYKZPVITISV-ZDUSSCGKSA-N 0 0 285.334 2.965 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000877083741 643142642 /nfs/dbraw/zinc/14/26/42/643142642.db2.gz PEGHYKZPVITISV-CYBMUJFWSA-N 0 0 285.334 2.965 20 10 CFCDRN CCC(CC)(CO)C[NH2+]Cc1ccc(C)cc1O ZINC000877120233 643161441 /nfs/dbraw/zinc/16/14/41/643161441.db2.gz FAQFZVVFDUMSLB-UHFFFAOYSA-N 0 0 251.370 2.589 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCCSCC2)ccc(F)c1F ZINC000877170656 643188202 /nfs/dbraw/zinc/18/82/02/643188202.db2.gz RLUFVVBXIKVIOH-UHFFFAOYSA-N 0 0 259.321 2.609 20 10 CFCDRN CO[C@@](C)(CN(C)c1ccc2c(c1)OCO2)C1CC1 ZINC000877179419 643191617 /nfs/dbraw/zinc/19/16/17/643191617.db2.gz AGNBCVCJFSLQNM-HNNXBMFYSA-N 0 0 263.337 2.667 20 10 CFCDRN C[C@@H]1CC(NC(=O)c2cccc(O)c2O)C[C@@H](C)C1 ZINC000126448301 643227775 /nfs/dbraw/zinc/22/77/75/643227775.db2.gz KEROQGFGWUWBOA-UWVGGRQHSA-N 0 0 263.337 2.652 20 10 CFCDRN Nc1ccc(CC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC000877309705 643232127 /nfs/dbraw/zinc/23/21/27/643232127.db2.gz QHOVHUASRSGUIA-CYBMUJFWSA-N 0 0 258.365 2.674 20 10 CFCDRN C/C=C/C[C@H](NCc1ccc(C)cc1O)C(=O)OCC ZINC000877476639 643294601 /nfs/dbraw/zinc/29/46/01/643294601.db2.gz JPSJFNOPWRXKGJ-YVZNUBBCSA-N 0 0 277.364 2.688 20 10 CFCDRN CO[C@@]1(CN(C)c2ccc(OC(C)C)cc2)CCOC1 ZINC000877478354 643295359 /nfs/dbraw/zinc/29/53/59/643295359.db2.gz NKNFZUFNCKEGOZ-MRXNPFEDSA-N 0 0 279.380 2.716 20 10 CFCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877519344 643323870 /nfs/dbraw/zinc/32/38/70/643323870.db2.gz XOXOIYOIDYJWJE-YPMHNXCESA-N 0 0 296.361 2.729 20 10 CFCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877519343 643324054 /nfs/dbraw/zinc/32/40/54/643324054.db2.gz XOXOIYOIDYJWJE-WCQYABFASA-N 0 0 296.361 2.729 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2COc3ccccc32)ccc(F)c1F ZINC000877537664 643340858 /nfs/dbraw/zinc/34/08/58/643340858.db2.gz OIQXZAXQKVKTEO-LLVKDONJSA-N 0 0 291.297 2.936 20 10 CFCDRN CC(C)(CO)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877541864 643344215 /nfs/dbraw/zinc/34/42/15/643344215.db2.gz UEXKJDFSUOMJNV-CQSZACIVSA-N 0 0 285.334 2.557 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563047 643362024 /nfs/dbraw/zinc/36/20/24/643362024.db2.gz FOORXDOELXFDHO-YUTCNCBUSA-N 0 0 297.345 2.796 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000877566318 643365490 /nfs/dbraw/zinc/36/54/90/643365490.db2.gz XXGIYBVGWBSXAB-BXKDBHETSA-N 0 0 271.307 2.527 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc(F)c1F ZINC000877585598 643380433 /nfs/dbraw/zinc/38/04/33/643380433.db2.gz JVRJNFATSYWKGJ-QRTLGDNMSA-N 0 0 253.292 2.949 20 10 CFCDRN CCCC[C@@](C)(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605331 643393482 /nfs/dbraw/zinc/39/34/82/643393482.db2.gz ASVAVGGLKCGXFO-AWEZNQCLSA-N 0 0 273.323 2.701 20 10 CFCDRN CN(CC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000877615035 643400997 /nfs/dbraw/zinc/40/09/97/643400997.db2.gz MDBFKBKKQWYDCT-UHFFFAOYSA-N 0 0 284.350 2.588 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)ccc(F)c1F ZINC000877629790 643414112 /nfs/dbraw/zinc/41/41/12/643414112.db2.gz VZPXVVXDERXVPK-KBPBESRZSA-N 0 0 291.297 2.938 20 10 CFCDRN CCN(CC)c1ccc(CN2Cc3cnn(C)c3C2)cc1 ZINC000877632993 643416290 /nfs/dbraw/zinc/41/62/90/643416290.db2.gz VEWSGJSTIHYZPI-UHFFFAOYSA-N 0 0 284.407 2.782 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1ccc(C)cc1O)OCC ZINC000877648211 643429906 /nfs/dbraw/zinc/42/99/06/643429906.db2.gz LUGLGZSLANNFDJ-AWEZNQCLSA-N 0 0 251.370 2.995 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)O1 ZINC000877681811 643450797 /nfs/dbraw/zinc/45/07/97/643450797.db2.gz JQMKGEHOXUTIJZ-LWINAJNOSA-N 0 0 273.735 2.840 20 10 CFCDRN CC(C)n1nccc1CN1Cc2cccc(O)c2C1 ZINC000877702619 643467397 /nfs/dbraw/zinc/46/73/97/643467397.db2.gz FCIKDZGPZJDHTA-UHFFFAOYSA-N 0 0 257.337 2.685 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccc3c(c1)OCCO3)C2 ZINC000877703491 643468478 /nfs/dbraw/zinc/46/84/78/643468478.db2.gz MAGXRZGVDJJVFG-UHFFFAOYSA-N 0 0 283.327 2.679 20 10 CFCDRN Cc1nn(C(C)C)cc1CN1Cc2cccc(O)c2C1 ZINC000877703036 643468959 /nfs/dbraw/zinc/46/89/59/643468959.db2.gz OYKVALYPXKXGLZ-UHFFFAOYSA-N 0 0 271.364 2.994 20 10 CFCDRN Cc1cccc(O)c1CN1CCO[C@](C)(C(F)(F)F)C1 ZINC000877716213 643479876 /nfs/dbraw/zinc/47/98/76/643479876.db2.gz VJFQQLOXVFDACG-ZDUSSCGKSA-N 0 0 289.297 2.854 20 10 CFCDRN COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000089445578 650843179 /nfs/dbraw/zinc/84/31/79/650843179.db2.gz ODGHVGZTFBZLJT-GJZGRUSLSA-N 0 0 291.391 2.984 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)ccc(F)c1F ZINC000877729414 643489940 /nfs/dbraw/zinc/48/99/40/643489940.db2.gz RVQNCTGGIHHMNT-STQMWFEESA-N 0 0 297.345 2.823 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000877743550 643519957 /nfs/dbraw/zinc/51/99/57/643519957.db2.gz WQUUSTLDUYWTRA-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN COc1ccc(O)c([C@@H]2Nc3ccc(C)cc3C(=O)N2)c1 ZINC000877861394 643610181 /nfs/dbraw/zinc/61/01/81/643610181.db2.gz IRDQYHHKXRUOTQ-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)cc1OC ZINC000877995644 643686401 /nfs/dbraw/zinc/68/64/01/643686401.db2.gz IZJROESTSLWJCZ-NEPJUHHUSA-N 0 0 265.353 2.565 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2nccn2C(F)F)cc1 ZINC000126950577 643774926 /nfs/dbraw/zinc/77/49/26/643774926.db2.gz WUSXUFOMFHIWGT-UHFFFAOYSA-N 0 0 294.349 2.976 20 10 CFCDRN CCN(C[C@H]1CCO[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000878218198 643797716 /nfs/dbraw/zinc/79/77/16/643797716.db2.gz KLIMKWQKARAQBR-CHWSQXEVSA-N 0 0 279.380 2.955 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000246638291 650877618 /nfs/dbraw/zinc/87/76/18/650877618.db2.gz ZXNXGVZCRPUPKY-QCZZGDTMSA-N 0 0 275.348 2.624 20 10 CFCDRN CCCc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879647926 644361563 /nfs/dbraw/zinc/36/15/63/644361563.db2.gz QZSNVUCRGKQORG-SNVBAGLBSA-N 0 0 261.325 2.579 20 10 CFCDRN CCO[C@@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879648550 644363037 /nfs/dbraw/zinc/36/30/37/644363037.db2.gz SYFDEQLPEPYWNY-MNOVXSKESA-N 0 0 291.351 2.724 20 10 CFCDRN COc1ccc(O)c(C[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000092326776 650918439 /nfs/dbraw/zinc/91/84/39/650918439.db2.gz HZWRLYAROBURKM-SECBINFHSA-N 0 0 276.336 2.856 20 10 CFCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1cc(Cl)ccc1O ZINC000093773075 650946303 /nfs/dbraw/zinc/94/63/03/650946303.db2.gz BJXJKTBVCDRYDW-JTQLQIEISA-N 0 0 285.771 2.818 20 10 CFCDRN CCc1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000128550075 644797146 /nfs/dbraw/zinc/79/71/46/644797146.db2.gz WZSANKZRTAPFRV-UHFFFAOYSA-N 0 0 285.343 2.893 20 10 CFCDRN CN(C)c1ccc(Cn2cc([C@H]3CCCCO3)nn2)cc1 ZINC000881272262 644940372 /nfs/dbraw/zinc/94/03/72/644940372.db2.gz QOFAVUAXXYQEKC-MRXNPFEDSA-N 0 0 286.379 2.634 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(F)F ZINC000881282601 644942851 /nfs/dbraw/zinc/94/28/51/644942851.db2.gz KPGVUVLTJSIWHK-JTQLQIEISA-N 0 0 286.322 2.967 20 10 CFCDRN OCc1ccnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000881804972 645131891 /nfs/dbraw/zinc/13/18/91/645131891.db2.gz ZFMNAJFXFFYNQA-UHFFFAOYSA-N 0 0 283.375 2.786 20 10 CFCDRN CN(C)c1ccc(CN(c2ncc(C=O)cn2)C2CC2)cc1 ZINC000881830790 645136054 /nfs/dbraw/zinc/13/60/54/645136054.db2.gz KBBBXBGZEWCVBU-UHFFFAOYSA-N 0 0 296.374 2.524 20 10 CFCDRN CCOC(=O)c1cc(Sc2nccs2)nc(C)n1 ZINC000881837420 645137821 /nfs/dbraw/zinc/13/78/21/645137821.db2.gz SDLRITFMUCOVAL-UHFFFAOYSA-N 0 0 281.362 2.569 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251645480 650991872 /nfs/dbraw/zinc/99/18/72/650991872.db2.gz GDOKJUIHVSOZLY-PRHODGIISA-N 0 0 289.206 2.868 20 10 CFCDRN O=C(CCSc1ncc(Cl)s1)N1CCCC1 ZINC000882239496 645251439 /nfs/dbraw/zinc/25/14/39/645251439.db2.gz XJORLXBEXSGQQW-UHFFFAOYSA-N 0 0 276.814 2.901 20 10 CFCDRN Oc1cccc2c1CN(c1cc(C3CC3)ncn1)C2 ZINC000882689968 645411320 /nfs/dbraw/zinc/41/13/20/645411320.db2.gz HBHBRSQEWOFTLK-UHFFFAOYSA-N 0 0 253.305 2.580 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]2CCO[C@H]21 ZINC000883016725 645564787 /nfs/dbraw/zinc/56/47/87/645564787.db2.gz JOEUPVCETZGGDV-LERXQTSPSA-N 0 0 283.318 2.574 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CCO)CCCC1 ZINC000883026614 645568466 /nfs/dbraw/zinc/56/84/66/645568466.db2.gz ZXRQLQXLAKSMSV-UHFFFAOYSA-N 0 0 285.334 2.703 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883026898 645568683 /nfs/dbraw/zinc/56/86/83/645568683.db2.gz INCATNPYOZKQGJ-GFCCVEGCSA-N 0 0 283.274 2.741 20 10 CFCDRN Cc1cccc(NCC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883032399 645573404 /nfs/dbraw/zinc/57/34/04/645573404.db2.gz HRYVGYCBRDDSKM-UHFFFAOYSA-N 0 0 293.317 2.576 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1ccnn1CC1CC1 ZINC000883047232 645581498 /nfs/dbraw/zinc/58/14/98/645581498.db2.gz LHLDHWLOMMUVCE-UHFFFAOYSA-N 0 0 279.290 2.889 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000883076310 645593771 /nfs/dbraw/zinc/59/37/71/645593771.db2.gz ZPSZWWAUXPXOPQ-GLQYFDAESA-N 0 0 295.329 2.718 20 10 CFCDRN CO[C@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000883099825 645604624 /nfs/dbraw/zinc/60/46/24/645604624.db2.gz HAIZSRGDANYEEB-SNVBAGLBSA-N 0 0 299.239 2.727 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000883121092 645612391 /nfs/dbraw/zinc/61/23/91/645612391.db2.gz XMGRRBBHTYMZIF-ZUZCIYMTSA-N 0 0 293.313 2.882 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883188163 645650533 /nfs/dbraw/zinc/65/05/33/645650533.db2.gz FXCNIFOUBRCGGN-LBPRGKRZSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000883190011 645652113 /nfs/dbraw/zinc/65/21/13/645652113.db2.gz SPDBIAIXMVBZSG-AWEZNQCLSA-N 0 0 296.361 2.777 20 10 CFCDRN CC1(CNC(=O)NCc2ccccc2O)CC(F)(F)C1 ZINC000883250182 645697469 /nfs/dbraw/zinc/69/74/69/645697469.db2.gz GIRDFIHTFCXKCF-UHFFFAOYSA-N 0 0 284.306 2.627 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883250388 645698254 /nfs/dbraw/zinc/69/82/54/645698254.db2.gz UAPPWNZXNCXCIQ-FPMFFAJLSA-N 0 0 274.364 2.770 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276149 645718235 /nfs/dbraw/zinc/71/82/35/645718235.db2.gz GTCUTNLLVQKDBB-AAEUAGOBSA-N 0 0 293.338 2.626 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883311445 645732699 /nfs/dbraw/zinc/73/26/99/645732699.db2.gz ADACSEBWMVNDGG-GFCCVEGCSA-N 0 0 299.374 2.921 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(F)cc1[O-] ZINC000883319493 645737734 /nfs/dbraw/zinc/73/77/34/645737734.db2.gz DQAXYSUBRIATOT-SCDSUCTJSA-N 0 0 267.344 2.997 20 10 CFCDRN CCc1ccc(NCc2cc3c(cc2O)OCO3)nc1 ZINC000883385376 645784422 /nfs/dbraw/zinc/78/44/22/645784422.db2.gz KSHFZBJYWKOIGO-UHFFFAOYSA-N 0 0 272.304 2.690 20 10 CFCDRN C=C/C=C/CCNC(=O)N[C@H](C)c1ccccc1O ZINC000883830784 645993309 /nfs/dbraw/zinc/99/33/09/645993309.db2.gz VHPBGUINDNBHDX-ZYOFXKKJSA-N 0 0 260.337 2.885 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@@]2(C)CC2(C)C)c1O ZINC000883891050 646024703 /nfs/dbraw/zinc/02/47/03/646024703.db2.gz QHVDQACOPVKGNW-MRXNPFEDSA-N 0 0 292.379 2.636 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000884009356 646094401 /nfs/dbraw/zinc/09/44/01/646094401.db2.gz UHHDDKQSWBYHDG-CQSZACIVSA-N 0 0 274.364 2.947 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnc2ccccc21 ZINC000133771533 646225893 /nfs/dbraw/zinc/22/58/93/646225893.db2.gz VAIFXSZDTUWGTF-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CSc2ccccc21 ZINC000134787407 646382146 /nfs/dbraw/zinc/38/21/46/646382146.db2.gz UGTPCZBSKSAWCY-ZDUSSCGKSA-N 0 0 285.368 2.898 20 10 CFCDRN COC[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000134747809 646382441 /nfs/dbraw/zinc/38/24/41/646382441.db2.gz VHPJCCNLGWRVMT-SECBINFHSA-N 0 0 288.185 2.588 20 10 CFCDRN CC[C@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000216003726 646504858 /nfs/dbraw/zinc/50/48/58/646504858.db2.gz RHWPIYHQIYWFRN-BXKUYDPTSA-N 0 0 250.294 2.700 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@@H]1C[C@@]12CCOC2 ZINC000885946001 646778408 /nfs/dbraw/zinc/77/84/08/646778408.db2.gz BEUXCHROHCFHJH-WMLDXEAASA-N 0 0 273.376 2.874 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ncco1 ZINC000886273790 646945857 /nfs/dbraw/zinc/94/58/57/646945857.db2.gz GQFWRIKMVASPNC-SNVBAGLBSA-N 0 0 263.316 2.731 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886489652 647016832 /nfs/dbraw/zinc/01/68/32/647016832.db2.gz NQSNMHXNLVMZRS-NHYWBVRUSA-N 0 0 275.323 2.916 20 10 CFCDRN CCN1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886491463 647017850 /nfs/dbraw/zinc/01/78/50/647017850.db2.gz FEZNAOCFEAHNQK-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1c([O-])cccc1F ZINC000886501326 647020864 /nfs/dbraw/zinc/02/08/64/647020864.db2.gz GEUHFLRLMCIGOF-GWCFXTLKSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1c([O-])cccc1F ZINC000886506261 647023033 /nfs/dbraw/zinc/02/30/33/647023033.db2.gz JCZKAFIYAANKLR-NSHDSACASA-N 0 0 295.354 2.868 20 10 CFCDRN COCCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886519204 647025820 /nfs/dbraw/zinc/02/58/20/647025820.db2.gz QJZIYYLRPQRAGD-LLVKDONJSA-N 0 0 255.333 2.999 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526001 647029365 /nfs/dbraw/zinc/02/93/65/647029365.db2.gz CJHMGNAPDFCDDC-OUJBWJOFSA-N 0 0 255.333 2.589 20 10 CFCDRN CCc1cc(CN[C@H](C)c2c(O)cccc2F)on1 ZINC000886529936 647030782 /nfs/dbraw/zinc/03/07/82/647030782.db2.gz AJAXSZUMXDZBCS-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1c([O-])cccc1F ZINC000886528548 647030925 /nfs/dbraw/zinc/03/09/25/647030925.db2.gz NXPFEWAAVUHOFT-WDEREUQCSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886528503 647031210 /nfs/dbraw/zinc/03/12/10/647031210.db2.gz NEIKTOPTLJCQJA-BXUZGUMPSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1c([O-])cccc1F ZINC000886530194 647031706 /nfs/dbraw/zinc/03/17/06/647031706.db2.gz GBTBKJUJNKCSIL-NOZJJQNGSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1c([O-])cccc1F ZINC000886533059 647033151 /nfs/dbraw/zinc/03/31/51/647033151.db2.gz UDXVVVGMXRQSAJ-SDDRHHMPSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@@H]([NH2+]CCc1cscn1)c1c([O-])cccc1F ZINC000886541056 647037503 /nfs/dbraw/zinc/03/75/03/647037503.db2.gz POAOBRANABXHGH-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886540778 647037580 /nfs/dbraw/zinc/03/75/80/647037580.db2.gz KSLHXHPCIKVUJO-UTUOFQBUSA-N 0 0 267.344 2.997 20 10 CFCDRN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886594956 647059507 /nfs/dbraw/zinc/05/95/07/647059507.db2.gz XPDJUUCYOXKODF-ANDSXOESSA-N 0 0 253.317 2.509 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1c([O-])cccc1F ZINC000886609574 647065349 /nfs/dbraw/zinc/06/53/49/647065349.db2.gz WOWCLJHUXOKGSR-SRVKXCTJSA-N 0 0 267.344 2.855 20 10 CFCDRN Cc1nnsc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886613730 647067975 /nfs/dbraw/zinc/06/79/75/647067975.db2.gz CXFWHJLZRONGCQ-MRVPVSSYSA-N 0 0 267.329 2.542 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1c([O-])cccc1F ZINC000886622658 647073647 /nfs/dbraw/zinc/07/36/47/647073647.db2.gz ZOUJXYRRFVJVRL-JTQLQIEISA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1c([O-])cccc1F ZINC000886628345 647076201 /nfs/dbraw/zinc/07/62/01/647076201.db2.gz NOYBTLVFAHWBNN-LLVKDONJSA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1c([O-])cccc1F ZINC000886636352 647080918 /nfs/dbraw/zinc/08/09/18/647080918.db2.gz MCKCGIIHUKHASI-SPXIXGAQSA-N 0 0 299.411 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1c([O-])cccc1F ZINC000886643472 647084733 /nfs/dbraw/zinc/08/47/33/647084733.db2.gz WCWISENODGJHFI-YQEZVOHVSA-N 0 0 267.344 2.994 20 10 CFCDRN Cc1ccc([C@H](C)N[C@H](CCO)C(F)(F)F)c(O)c1 ZINC000886802179 647144571 /nfs/dbraw/zinc/14/45/71/647144571.db2.gz ZZFGLBHOZZPVMC-JOYOIKCWSA-N 0 0 277.286 2.665 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890238070 647768545 /nfs/dbraw/zinc/76/85/45/647768545.db2.gz JWJACEKADUEWDO-YTDWTQRBSA-N 0 0 273.332 2.512 20 10 CFCDRN CC(C)n1cc([C@H](C)NCc2ccc(N(C)C)cc2)nn1 ZINC000924572501 647997578 /nfs/dbraw/zinc/99/75/78/647997578.db2.gz CVYDWPCWAHFNEH-ZDUSSCGKSA-N 0 0 287.411 2.776 20 10 CFCDRN Cc1cc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])nn1C ZINC000926908377 648653264 /nfs/dbraw/zinc/65/32/64/648653264.db2.gz CWTJSRGRVIVWCW-NSHDSACASA-N 0 0 293.798 2.981 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000927147602 648728205 /nfs/dbraw/zinc/72/82/05/648728205.db2.gz MIAIACVHNWXWNZ-GUBZILKMSA-N 0 0 289.297 2.833 20 10 CFCDRN O=C(NC[C@@]12C[C@@H]1CCCC2)C1=CC(=O)CS1 ZINC000927428685 648775892 /nfs/dbraw/zinc/77/58/92/648775892.db2.gz IDNYHSRTABDVHV-TVQRCGJNSA-N 0 0 251.351 2.764 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@]23C[C@H]2CCC3)c1 ZINC000927708966 648820255 /nfs/dbraw/zinc/82/02/55/648820255.db2.gz IWHFGDVUGHXMOB-CJNGLKHVSA-N 0 0 274.364 2.690 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928132188 648861206 /nfs/dbraw/zinc/86/12/06/648861206.db2.gz DWGURAYDAJTDKB-MRVPVSSYSA-N 0 0 297.323 2.574 20 10 CFCDRN CC(C)(C)C(=O)CCCC(=O)NCc1c(O)cccc1F ZINC000928705080 648944310 /nfs/dbraw/zinc/94/43/10/648944310.db2.gz DFWSMKTVCSARNS-UHFFFAOYSA-N 0 0 295.354 2.933 20 10 CFCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928706002 648944521 /nfs/dbraw/zinc/94/45/21/648944521.db2.gz NKQJOOXLGMGUSK-BMIGLBTASA-N 0 0 265.328 2.974 20 10 CFCDRN C[C@@H]1CC/C(=C/C(=O)NCc2c(O)cccc2F)C1 ZINC000928705500 648944566 /nfs/dbraw/zinc/94/45/66/648944566.db2.gz KPVDPLXTZWQIKK-UBYNWHESSA-N 0 0 263.312 2.894 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCCCC(=O)C1 ZINC000928706362 648944592 /nfs/dbraw/zinc/94/45/92/648944592.db2.gz RCDAUBWVCYVNCO-NSHDSACASA-N 0 0 293.338 2.687 20 10 CFCDRN CCO[C@H](CC(=O)NCc1c(O)cccc1F)C(C)C ZINC000928706265 648944597 /nfs/dbraw/zinc/94/45/97/648944597.db2.gz TZICJHUQEIBJGZ-CQSZACIVSA-N 0 0 283.343 2.599 20 10 CFCDRN CC(C)CCCC(=O)NCc1c(O)cccc1F ZINC000928705632 648944698 /nfs/dbraw/zinc/94/46/98/648944698.db2.gz KKQFJWVXVCHIQJ-UHFFFAOYSA-N 0 0 253.317 2.974 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCc2c(O)cccc2F)CC1 ZINC000928706649 648945537 /nfs/dbraw/zinc/94/55/37/648945537.db2.gz TYNHIFJBAUYNCJ-XYPYZODXSA-N 0 0 265.328 2.974 20 10 CFCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928706629 648945583 /nfs/dbraw/zinc/94/55/83/648945583.db2.gz SNUIQAMVXZAUKZ-WDEREUQCSA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1ccoc1C1CC1 ZINC000928707608 648945588 /nfs/dbraw/zinc/94/55/88/648945588.db2.gz FZFYRTGMVCEGRJ-UHFFFAOYSA-N 0 0 275.279 2.932 20 10 CFCDRN O=C(CC1CCCC1)NCc1c(O)cccc1F ZINC000928709931 648945943 /nfs/dbraw/zinc/94/59/43/648945943.db2.gz OARVQYFVBBCRGG-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN CCC[C@H](CC)C(=O)NCc1c(O)cccc1F ZINC000928709876 648946052 /nfs/dbraw/zinc/94/60/52/648946052.db2.gz MVUXOGYZMDDMOU-JTQLQIEISA-N 0 0 253.317 2.974 20 10 CFCDRN COC[C@@H](C[N@H+](C)Cc1ccccc1O)C(C)C ZINC000929975007 649158658 /nfs/dbraw/zinc/15/86/58/649158658.db2.gz CROUKRZSLZDRPD-CQSZACIVSA-N 0 0 251.370 2.743 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncccn2)c1 ZINC000930215615 649208007 /nfs/dbraw/zinc/20/80/07/649208007.db2.gz VSJKBJBSRNVRNN-MNOVXSKESA-N 0 0 273.336 2.603 20 10 CFCDRN Cc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(C)n1 ZINC000930336878 649232825 /nfs/dbraw/zinc/23/28/25/649232825.db2.gz AEBDGYZCEQVDDY-UHFFFAOYSA-N 0 0 283.331 2.952 20 10 CFCDRN CNC(=O)c1cccc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000932412519 649595463 /nfs/dbraw/zinc/59/54/63/649595463.db2.gz TYZKRGHFJGPNHA-UHFFFAOYSA-N 0 0 297.402 2.749 20 10 CFCDRN CC[C@@](C)(NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000933534384 649700043 /nfs/dbraw/zinc/70/00/43/649700043.db2.gz MYWHBVHMQDGLAG-GFCCVEGCSA-N 0 0 290.285 2.922 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC1(CC)COC1 ZINC000934706140 649818143 /nfs/dbraw/zinc/81/81/43/649818143.db2.gz DZHZLFPKEJIMAS-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280927 651257948 /nfs/dbraw/zinc/25/79/48/651257948.db2.gz UWZBFZUWROWQHM-LBPRGKRZSA-N 0 0 280.437 2.676 20 10 CFCDRN C[C@@H]1[NH2+]CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000379453371 782266528 /nfs/dbraw/zinc/26/65/28/782266528.db2.gz LCIUDEHYHTXEMB-IUCAKERBSA-N 0 0 289.206 2.881 20 10 CFCDRN Cc1nc(Br)ccc1-c1ccn(C)c(=O)c1 ZINC001243555767 782276697 /nfs/dbraw/zinc/27/66/97/782276697.db2.gz HMSIRJOIROXBSK-UHFFFAOYSA-N 0 0 279.137 2.518 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000402095664 769843079 /nfs/dbraw/zinc/84/30/79/769843079.db2.gz WRDSFHGICAXCPJ-XVKPBYJWSA-N 0 0 276.163 2.966 20 10 CFCDRN Cc1cc(C)c(-c2noc(Cc3ccc(N)cc3)n2)cn1 ZINC000397442185 770201644 /nfs/dbraw/zinc/20/16/44/770201644.db2.gz GIGFKLQEDMSALO-UHFFFAOYSA-N 0 0 280.331 2.921 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(N(C)C)cc2)c1 ZINC001167290636 770220795 /nfs/dbraw/zinc/22/07/95/770220795.db2.gz IOASHFUXMANOTM-UHFFFAOYSA-N 0 0 284.359 2.697 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cncc3[nH]ccc32)c1 ZINC001167293630 770227297 /nfs/dbraw/zinc/22/72/97/770227297.db2.gz LXZPTVPDASZQBL-UHFFFAOYSA-N 0 0 281.315 2.507 20 10 CFCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000693161452 770284459 /nfs/dbraw/zinc/28/44/59/770284459.db2.gz BNZOIDATUJUSCV-LLVKDONJSA-N 0 0 269.772 2.950 20 10 CFCDRN Cc1ccccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403444 770531764 /nfs/dbraw/zinc/53/17/64/770531764.db2.gz IEPGISDBICDFJI-CLFYSBASSA-N 0 0 283.327 2.736 20 10 CFCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403676 770531915 /nfs/dbraw/zinc/53/19/15/770531915.db2.gz UTDPRPAOVVYHLI-VPUINMBXSA-N 0 0 283.327 2.988 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccccc2C1 ZINC000588403715 770531979 /nfs/dbraw/zinc/53/19/79/770531979.db2.gz YAVHAQDLYKQMHT-VURMDHGXSA-N 0 0 295.338 2.696 20 10 CFCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(O)c1 ZINC000588408358 770549225 /nfs/dbraw/zinc/54/92/25/770549225.db2.gz UHTRARHKNJCZCZ-JYKYSHPRSA-N 0 0 299.326 2.694 20 10 CFCDRN CCOC(=O)c1cc(Nc2c(O)cccc2Cl)ccn1 ZINC001215982795 770622089 /nfs/dbraw/zinc/62/20/89/770622089.db2.gz FYQALMICBZXRSF-UHFFFAOYSA-N 0 0 292.722 2.783 20 10 CFCDRN Cc1c[nH]c(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000693479319 770703022 /nfs/dbraw/zinc/70/30/22/770703022.db2.gz PDLHBPHSBWTECI-LBPRGKRZSA-N 0 0 258.369 2.635 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1CCOCC1 ZINC000708505598 775246785 /nfs/dbraw/zinc/24/67/85/775246785.db2.gz XRPYCWUUXMNIGC-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813342 775337417 /nfs/dbraw/zinc/33/74/17/775337417.db2.gz AQWHJNKVNAMHLX-HZMBPMFUSA-N 0 0 267.756 2.656 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690788411 775415525 /nfs/dbraw/zinc/41/55/25/775415525.db2.gz DPYJHKFHTXUEIP-RYUDHWBXSA-N 0 0 267.756 2.514 20 10 CFCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1ccc[nH]1 ZINC001225550030 775499358 /nfs/dbraw/zinc/49/93/58/775499358.db2.gz QXJYMWXCYAOBMW-SECBINFHSA-N 0 0 293.754 2.934 20 10 CFCDRN Cc1ccc(C[N@H+](C)Cc2cnc3ccccn23)c(O)c1 ZINC001140947915 775685493 /nfs/dbraw/zinc/68/54/93/775685493.db2.gz LLUXCQQARLIJKP-UHFFFAOYSA-N 0 0 281.359 2.980 20 10 CFCDRN Nc1ccc(CCNC(=O)C2CCC3(CC3)CC2)cc1 ZINC000695627810 775900214 /nfs/dbraw/zinc/90/02/14/775900214.db2.gz VLMAGMNRLGNNGA-UHFFFAOYSA-N 0 0 272.392 2.898 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC000695927008 776139323 /nfs/dbraw/zinc/13/93/23/776139323.db2.gz CGENNSOBIPDFEY-AWEZNQCLSA-N 0 0 272.392 2.898 20 10 CFCDRN CCC(F)(F)C(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000695935710 776141201 /nfs/dbraw/zinc/14/12/01/776141201.db2.gz NUBAZSLGPDKMPZ-UHFFFAOYSA-N 0 0 284.350 2.999 20 10 CFCDRN CN(C)c1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1 ZINC001227939561 776334790 /nfs/dbraw/zinc/33/47/90/776334790.db2.gz ZPFCQPOLNXPKTK-HNNXBMFYSA-N 0 0 287.319 2.544 20 10 CFCDRN COC[C@@H](C)OC[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939262 776334850 /nfs/dbraw/zinc/33/48/50/776334850.db2.gz QCUHOMQUCPLIAN-OLZOCXBDSA-N 0 0 267.369 2.571 20 10 CFCDRN COC(=O)[C@@H]1C[C@H](Oc2ccc(N(C)C)cc2)C1(C)C ZINC001227938960 776335055 /nfs/dbraw/zinc/33/50/55/776335055.db2.gz HNXGPUARUGLHGJ-KBPBESRZSA-N 0 0 277.364 2.719 20 10 CFCDRN CO[C@H](C)CO[C@@H](C)COc1ccc(N(C)C)cc1 ZINC001227940045 776335209 /nfs/dbraw/zinc/33/52/09/776335209.db2.gz GEXVHLXFFORBTA-OLZOCXBDSA-N 0 0 267.369 2.571 20 10 CFCDRN COC(C[C@H](C)Oc1ccc(N(C)C)cc1)OC ZINC001227938986 776335357 /nfs/dbraw/zinc/33/53/57/776335357.db2.gz HTPVERDYUFSNBU-NSHDSACASA-N 0 0 253.342 2.529 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001231447791 777221707 /nfs/dbraw/zinc/22/17/07/777221707.db2.gz WPYGIMQAORMSFS-UHFFFAOYSA-N 0 0 285.290 2.712 20 10 CFCDRN C[C@@]1(F)CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445676 777222138 /nfs/dbraw/zinc/22/21/38/777222138.db2.gz AGGVUOUILLRGDA-OAHLLOKOSA-N 0 0 281.327 2.805 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)[C@@H](C)C1 ZINC001231451983 777222794 /nfs/dbraw/zinc/22/27/94/777222794.db2.gz AAQSKTHRPDLRJF-MNOVXSKESA-N 0 0 263.337 2.711 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@@H]1C ZINC001231563323 777261114 /nfs/dbraw/zinc/26/11/14/777261114.db2.gz HRHRKYDUYUAVKC-GHMZBOCLSA-N 0 0 263.337 2.711 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC001231564789 777262143 /nfs/dbraw/zinc/26/21/43/777262143.db2.gz YJAIPAGGSDLVRB-HNNXBMFYSA-N 0 0 298.342 2.823 20 10 CFCDRN CC[N@H+](Cc1c(O)ccc2ccccc21)C1COC1 ZINC001231590335 777271040 /nfs/dbraw/zinc/27/10/40/777271040.db2.gz URXSXIZREQAEAU-UHFFFAOYSA-N 0 0 257.333 2.766 20 10 CFCDRN Cn1ncc2c1CN(Cc1c(O)ccc3ccccc31)C2 ZINC001231590323 777271652 /nfs/dbraw/zinc/27/16/52/777271652.db2.gz TXISKRNJQSMITL-UHFFFAOYSA-N 0 0 279.343 2.795 20 10 CFCDRN Cc1cc(C)c(C[N@@H+]2CCc3ccncc3C2)c(O)c1 ZINC001231846904 777349348 /nfs/dbraw/zinc/34/93/48/777349348.db2.gz SRXVBQDOJYXRTK-UHFFFAOYSA-N 0 0 268.360 2.962 20 10 CFCDRN CC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(C)cc1O ZINC001231871670 777361740 /nfs/dbraw/zinc/36/17/40/777361740.db2.gz PIFPGMXEWNLNBY-ZDUSSCGKSA-N 0 0 267.756 2.907 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@]1(C)O ZINC001231910355 777379842 /nfs/dbraw/zinc/37/98/42/777379842.db2.gz MIEFUGIMAOXSSL-YGRLFVJLSA-N 0 0 269.772 2.638 20 10 CFCDRN O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)O1 ZINC001231912851 777380875 /nfs/dbraw/zinc/38/08/75/777380875.db2.gz BKJCCMHIPCMAFK-OAHLLOKOSA-N 0 0 295.766 2.717 20 10 CFCDRN C[C@]1(O)CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231909855 777381290 /nfs/dbraw/zinc/38/12/90/777381290.db2.gz RKBJCQPIKPKRTA-AWEZNQCLSA-N 0 0 269.772 2.783 20 10 CFCDRN CC[N@H+](CCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC001231911982 777381829 /nfs/dbraw/zinc/38/18/29/777381829.db2.gz RPUPITUXSRLLQP-UHFFFAOYSA-N 0 0 282.815 2.963 20 10 CFCDRN CC(C)[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC001231913558 777383263 /nfs/dbraw/zinc/38/32/63/777383263.db2.gz MOUFYWHRJZWIDD-LBPRGKRZSA-N 0 0 282.815 2.960 20 10 CFCDRN CC[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1[O-] ZINC001231914834 777383493 /nfs/dbraw/zinc/38/34/93/777383493.db2.gz ROKAJHGQENYZTN-UHFFFAOYSA-N 0 0 279.771 2.764 20 10 CFCDRN Oc1cc(O)c(CN2CCn3cccc3C2)cc1Cl ZINC001232261852 777496570 /nfs/dbraw/zinc/49/65/70/777496570.db2.gz QXYAUWQYVRJWQA-UHFFFAOYSA-N 0 0 278.739 2.569 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@@]1(C)O ZINC001232258595 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ZINC001236801484 778945168 /nfs/dbraw/zinc/94/51/68/778945168.db2.gz JXEAJPVWJLPAGS-BMIGLBTASA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c([O-])c1Cl ZINC001236802061 778945722 /nfs/dbraw/zinc/94/57/22/778945722.db2.gz NPGPGNMQDWPMOK-WDEREUQCSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1 ZINC001236807233 778947181 /nfs/dbraw/zinc/94/71/81/778947181.db2.gz DZLVGMFIUPLLSZ-CXAGYDPISA-N 0 0 293.407 2.692 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1 ZINC001236808269 778948205 /nfs/dbraw/zinc/94/82/05/778948205.db2.gz OHKJNZNGVYFVSU-DYVFJYSZSA-N 0 0 291.391 2.710 20 10 CFCDRN COc1cc(C)c(C[N@H+]2CCC[C@H](OC)CC2)c(O)c1 ZINC001236810782 778948306 /nfs/dbraw/zinc/94/83/06/778948306.db2.gz JBDGYBIJOCNSFM-ZDUSSCGKSA-N 0 0 279.380 2.710 20 10 CFCDRN COc1ccc(C[NH+]2CCC3(CCO3)CC2)c([O-])c1Cl ZINC001236811206 778948552 /nfs/dbraw/zinc/94/85/52/778948552.db2.gz HWYMJWYLMNGVQM-UHFFFAOYSA-N 0 0 297.782 2.809 20 10 CFCDRN 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CFCDRN COC1(C)CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078396 779006934 /nfs/dbraw/zinc/00/69/34/779006934.db2.gz RQGROPPYQDTZHE-UHFFFAOYSA-N 0 0 276.163 2.920 20 10 CFCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CCOC1 ZINC001237083058 779006945 /nfs/dbraw/zinc/00/69/45/779006945.db2.gz XOBJHVFRQFXOEE-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@@]1(CO)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078197 779007283 /nfs/dbraw/zinc/00/72/83/779007283.db2.gz PFSOJRDNEOHQJF-CYBMUJFWSA-N 0 0 290.190 2.903 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC2(C1)CCCCO2 ZINC001237124663 779019139 /nfs/dbraw/zinc/01/91/39/779019139.db2.gz QHROOPLIDUAILS-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237125844 779019746 /nfs/dbraw/zinc/01/97/46/779019746.db2.gz GNRODHSFCCEJDZ-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237224741 779054497 /nfs/dbraw/zinc/05/44/97/779054497.db2.gz IDZKPZPSROOYBH-AWEZNQCLSA-N 0 0 278.783 2.887 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237226061 779055915 /nfs/dbraw/zinc/05/59/15/779055915.db2.gz ULLKUHFDJQHSRS-AWEZNQCLSA-N 0 0 280.318 2.512 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001237484294 779118346 /nfs/dbraw/zinc/11/83/46/779118346.db2.gz ASDMTCVOIRQRGG-UONOGXRCSA-N 0 0 255.308 2.973 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCc2ccncc2C1 ZINC001237487847 779118953 /nfs/dbraw/zinc/11/89/53/779118953.db2.gz NMVJYKFDLIRFHS-UHFFFAOYSA-N 0 0 254.333 2.654 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237622124 779145419 /nfs/dbraw/zinc/14/54/19/779145419.db2.gz NCYVSIQFQYQWCU-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN CCCOC1CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC001237687656 779160730 /nfs/dbraw/zinc/16/07/30/779160730.db2.gz QGHLQRLVRSLHJS-UHFFFAOYSA-N 0 0 269.772 2.965 20 10 CFCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799628 779182071 /nfs/dbraw/zinc/18/20/71/779182071.db2.gz SHSUEWOEUWLCEA-KCJUWKMLSA-N 0 0 273.735 2.530 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]12 ZINC001237800327 779182434 /nfs/dbraw/zinc/18/24/34/779182434.db2.gz JMQRQTGLBCPSST-CABZTGNLSA-N 0 0 297.757 2.986 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001237807490 779184543 /nfs/dbraw/zinc/18/45/43/779184543.db2.gz KHFFLOXZXKGBGP-LLVKDONJSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@]1(C)O ZINC001237809065 779185766 /nfs/dbraw/zinc/18/57/66/779185766.db2.gz YYDHGDHRQPVUMR-OTYXRUKQSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001237933395 779209033 /nfs/dbraw/zinc/20/90/33/779209033.db2.gz BBGGYZOKUPUPPV-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[C@@H]1CC(=O)CCN1Cc1cc(F)c(Cl)cc1O ZINC001237933760 779209980 /nfs/dbraw/zinc/20/99/80/779209980.db2.gz GVCSQXWSUKYAKE-MRVPVSSYSA-N 0 0 271.719 2.738 20 10 CFCDRN CC1(C)CN(Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237949859 779215231 /nfs/dbraw/zinc/21/52/31/779215231.db2.gz NKADUMGODVLTTB-UHFFFAOYSA-N 0 0 285.746 2.986 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001238055756 779241580 /nfs/dbraw/zinc/24/15/80/779241580.db2.gz DEEGWYDAKGWUAX-OAHLLOKOSA-N 0 0 285.334 2.526 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001238068265 779243733 /nfs/dbraw/zinc/24/37/33/779243733.db2.gz XPSHRWVOQSISDF-SMDDNHRTSA-N 0 0 277.339 2.641 20 10 CFCDRN O=c1cc(-c2cnoc2)ccn1Cc1cccc(F)c1 ZINC001239189859 779467695 /nfs/dbraw/zinc/46/76/95/779467695.db2.gz WTIUJKGUTBFCDM-UHFFFAOYSA-N 0 0 270.263 2.691 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)c(C)n1 ZINC001239468933 779579249 /nfs/dbraw/zinc/57/92/49/779579249.db2.gz QGZXRMHCQRLUQI-UHFFFAOYSA-N 0 0 291.354 2.970 20 10 CFCDRN COc1ncc(-c2cc(=O)n(C)c3ccccc23)cc1F ZINC001239519193 779603048 /nfs/dbraw/zinc/60/30/48/779603048.db2.gz SEPXSJNGZDKQQX-UHFFFAOYSA-N 0 0 284.290 2.748 20 10 CFCDRN COc1ccc(C[NH+]2CC([C@H](C)OC)C2)c([O-])c1Cl ZINC001236809745 779641795 /nfs/dbraw/zinc/64/17/95/779641795.db2.gz NZPRQGNIXPFBEU-VIFPVBQESA-N 0 0 285.771 2.521 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798216 779717900 /nfs/dbraw/zinc/71/79/00/779717900.db2.gz AUUSVJCHISJRBK-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237950306 779726624 /nfs/dbraw/zinc/72/66/24/779726624.db2.gz RFPRKLSFWWXJBT-YMTOWFKASA-N 0 0 285.746 2.796 20 10 CFCDRN COc1ncc(-c2ccc(-n3c(C)ccc3C)nc2)cn1 ZINC001239846411 779816436 /nfs/dbraw/zinc/81/64/36/779816436.db2.gz CVLPWJILQPIMMH-UHFFFAOYSA-N 0 0 280.331 2.955 20 10 CFCDRN Cc1cnc(C)c(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001239906002 779854369 /nfs/dbraw/zinc/85/43/69/779854369.db2.gz PWKXJGWTMPFSAI-UHFFFAOYSA-N 0 0 291.354 2.970 20 10 CFCDRN COc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001239932189 779868515 /nfs/dbraw/zinc/86/85/15/779868515.db2.gz DXUGZKHASLNNID-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN O=c1cc(-c2cnoc2)ccn1Cc1ccccc1F ZINC001239188033 779906021 /nfs/dbraw/zinc/90/60/21/779906021.db2.gz BOHWXCWSIPIBJB-UHFFFAOYSA-N 0 0 270.263 2.691 20 10 CFCDRN Cc1c(F)ccc(-c2noc(-c3csnn3)n2)c1F ZINC001212361711 779993162 /nfs/dbraw/zinc/99/31/62/779993162.db2.gz BWVIHCKMGSZYRJ-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN COc1cc(C)ccc1-c1noc(-c2csnn2)n1 ZINC001212362425 779994075 /nfs/dbraw/zinc/99/40/75/779994075.db2.gz SYKSIFJRTAXSMP-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN COc1ncc(-c2nccc3c2ccn3C)cc1F ZINC001239495700 780004195 /nfs/dbraw/zinc/00/41/95/780004195.db2.gz AEDSVYJRCPMYNP-UHFFFAOYSA-N 0 0 257.268 2.783 20 10 CFCDRN CC(C)Cn1ccc(-c2ccc3nccn3c2)cc1=O ZINC001240221248 780009202 /nfs/dbraw/zinc/00/92/02/780009202.db2.gz JRWLSMZBIVBMGX-UHFFFAOYSA-N 0 0 267.332 2.819 20 10 CFCDRN Cc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001240227601 780015474 /nfs/dbraw/zinc/01/54/74/780015474.db2.gz ZIYDHFZJESZNNW-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CC(=O)c1cccc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405328 780095047 /nfs/dbraw/zinc/09/50/47/780095047.db2.gz OLXNTYBFKZDYCG-UHFFFAOYSA-N 0 0 286.316 2.766 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCCC12OCCO2 ZINC000715679155 780206766 /nfs/dbraw/zinc/20/67/66/780206766.db2.gz UDHIUTXIKQHLOT-ZDUSSCGKSA-N 0 0 297.782 2.821 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnn(CC2CC2)c1 ZINC001240517067 780225192 /nfs/dbraw/zinc/22/51/92/780225192.db2.gz YJIRMDIFOLRGHX-UHFFFAOYSA-N 0 0 252.321 2.847 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnn(CC4CC4)c3)cc21 ZINC001240517299 780225646 /nfs/dbraw/zinc/22/56/46/780225646.db2.gz OORKAGSKQHYAGN-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN Cn1ccc2ccc(-c3nccc4c3NC(=O)CO4)cc21 ZINC001240572469 780265293 /nfs/dbraw/zinc/26/52/93/780265293.db2.gz VLBBZZVBGOVJQN-UHFFFAOYSA-N 0 0 279.299 2.571 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001240758798 780421845 /nfs/dbraw/zinc/42/18/45/780421845.db2.gz JLNSMRSFNRBLRT-ZDUSSCGKSA-N 0 0 289.379 2.923 20 10 CFCDRN CCO[C@H](C)n1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001240759403 780422779 /nfs/dbraw/zinc/42/27/79/780422779.db2.gz NRDKPZWHMLODQX-GFCCVEGCSA-N 0 0 287.363 2.677 20 10 CFCDRN Cc1cncc(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001240801929 780453614 /nfs/dbraw/zinc/45/36/14/780453614.db2.gz GPLDNRDALKIPQC-UHFFFAOYSA-N 0 0 265.320 2.556 20 10 CFCDRN O=C(CCC(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001143141315 780498094 /nfs/dbraw/zinc/49/80/94/780498094.db2.gz IKQISPMDDMIGMQ-UHFFFAOYSA-N 0 0 273.254 2.619 20 10 CFCDRN COc1ncc(-c2cccc3c2cc(C)n3C)c(OC)n1 ZINC001240908151 780513580 /nfs/dbraw/zinc/51/35/80/780513580.db2.gz TYCJVERCNXNVJE-UHFFFAOYSA-N 0 0 283.331 2.961 20 10 CFCDRN Cc1cc(C(F)(F)F)ncc1-c1ccn(C)c(=O)c1 ZINC001240984139 780571131 /nfs/dbraw/zinc/57/11/31/780571131.db2.gz WPGHNTHZTMNTGI-UHFFFAOYSA-N 0 0 268.238 2.775 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(O)CCCCCC2)ccc(F)c1F ZINC000700721042 780711028 /nfs/dbraw/zinc/71/10/28/780711028.db2.gz LWRJEAOCWAEBOM-UHFFFAOYSA-N 0 0 285.334 2.845 20 10 CFCDRN Cc1cc(N(C)C)ncc1-c1cc(=O)n(C)c2ccccc12 ZINC001241251346 780734408 /nfs/dbraw/zinc/73/44/08/780734408.db2.gz ITAGPQKDZMBUFQ-UHFFFAOYSA-N 0 0 293.370 2.975 20 10 CFCDRN O=C(CCc1ccc(F)cc1)NCc1ccccc1O ZINC000701143270 780765591 /nfs/dbraw/zinc/76/55/91/780765591.db2.gz CCOTZUXYIPBIQT-UHFFFAOYSA-N 0 0 273.307 2.780 20 10 CFCDRN NC(=O)c1c(F)cncc1C1=CCN(c2ccccc2)CC1 ZINC001241355779 780805051 /nfs/dbraw/zinc/80/50/51/780805051.db2.gz POEBMYRXOMZPGE-UHFFFAOYSA-N 0 0 297.333 2.613 20 10 CFCDRN CCc1cncc(-c2nc(C)nc3c2ccn3C)c1 ZINC001241365609 780817671 /nfs/dbraw/zinc/81/76/71/780817671.db2.gz NHSYKHSSEFXKOL-UHFFFAOYSA-N 0 0 252.321 2.901 20 10 CFCDRN O=c1cc(-c2ccc(N3CCCC3)nc2)ccn1CC1CC1 ZINC001241377636 780832331 /nfs/dbraw/zinc/83/23/31/780832331.db2.gz DFWARTGZBGZMCF-UHFFFAOYSA-N 0 0 295.386 2.921 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001137831653 780857643 /nfs/dbraw/zinc/85/76/43/780857643.db2.gz IOUAPLNFKDPXLI-XHDPSFHLSA-N 0 0 265.328 2.532 20 10 CFCDRN CCOC(=O)Cc1ccc(Nc2cccc(O)c2O)cc1 ZINC001212520907 780890589 /nfs/dbraw/zinc/89/05/89/780890589.db2.gz YSBMSAYHICEURB-UHFFFAOYSA-N 0 0 287.315 2.947 20 10 CFCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703275024 781001204 /nfs/dbraw/zinc/00/12/04/781001204.db2.gz QFEBWNNCOKCOEA-GMSGAONNSA-N 0 0 259.321 2.512 20 10 CFCDRN [O-]c1c(C[NH2+]CCCc2nccs2)ccc(F)c1F ZINC000703258853 781005612 /nfs/dbraw/zinc/00/56/12/781005612.db2.gz KVBGZZDUJIWOHX-UHFFFAOYSA-N 0 0 284.331 2.849 20 10 CFCDRN CO[C@H]([C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703257721 781005934 /nfs/dbraw/zinc/00/59/34/781005934.db2.gz FDWWZIITKRKKEL-RMLUDKJBSA-N 0 0 271.307 2.574 20 10 CFCDRN C[C@H]1CC([NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703293338 781006250 /nfs/dbraw/zinc/00/62/50/781006250.db2.gz CACLJOOOYXKXOG-IUCAKERBSA-N 0 0 271.307 2.716 20 10 CFCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703287508 781006475 /nfs/dbraw/zinc/00/64/75/781006475.db2.gz XOMPNRDGHUMNEI-LLVKDONJSA-N 0 0 284.350 2.633 20 10 CFCDRN COC[C@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703439818 781016509 /nfs/dbraw/zinc/01/65/09/781016509.db2.gz TYMXVFDUFXFUFN-CQSZACIVSA-N 0 0 271.307 2.529 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO1 ZINC000703541329 781027117 /nfs/dbraw/zinc/02/71/17/781027117.db2.gz NFUOQMRJLOJQHW-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnc(N)nc1C(F)(F)F ZINC001241653084 781048213 /nfs/dbraw/zinc/04/82/13/781048213.db2.gz BQBRUGRDEYXDKG-UHFFFAOYSA-N 0 0 293.252 2.631 20 10 CFCDRN COc1cc(C)c(-c2nccc3c2ccn3C)cn1 ZINC001241748810 781107835 /nfs/dbraw/zinc/10/78/35/781107835.db2.gz HXTAHJQMTATWKL-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c(O)cccc1F ZINC001137837311 781137743 /nfs/dbraw/zinc/13/77/43/781137743.db2.gz ATAVTVWHAWXYBF-ZDUSSCGKSA-N 0 0 295.354 2.837 20 10 CFCDRN Cc1cc(-c2cccc3c2ccn3C)cnc1C(N)=O ZINC001241823821 781145951 /nfs/dbraw/zinc/14/59/51/781145951.db2.gz XRNQEWZBZGQLIZ-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn(C3CC3)c2)cc1=O ZINC001241910149 781175218 /nfs/dbraw/zinc/17/52/18/781175218.db2.gz BCSTZJWAZRTBBT-UHFFFAOYSA-N 0 0 257.337 2.703 20 10 CFCDRN Nc1ccc(CNc2nc(Cl)nc3c2SCC3)cc1 ZINC001162784726 781188830 /nfs/dbraw/zinc/18/88/30/781188830.db2.gz UJUUEBCNOLVSBQ-UHFFFAOYSA-N 0 0 292.795 2.973 20 10 CFCDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706829986 781205113 /nfs/dbraw/zinc/20/51/13/781205113.db2.gz JJPWFMQXSWRSNY-RKDXNWHRSA-N 0 0 270.170 2.900 20 10 CFCDRN COc1ccncc1-c1ccn(CC(C)C)c(=O)c1 ZINC001242060845 781254278 /nfs/dbraw/zinc/25/42/78/781254278.db2.gz YRWKWSIYAMBGBV-UHFFFAOYSA-N 0 0 258.321 2.575 20 10 CFCDRN O=c1ccc(-c2cc(N3CCc4ccccc43)ncn2)c[nH]1 ZINC001242062238 781255344 /nfs/dbraw/zinc/25/53/44/781255344.db2.gz IEIGIRVFWHRPGH-UHFFFAOYSA-N 0 0 290.326 2.938 20 10 CFCDRN C[C@H](O)CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708390395 781271736 /nfs/dbraw/zinc/27/17/36/781271736.db2.gz PJRHCPCYSVXBET-VIFPVBQESA-N 0 0 273.323 2.557 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000708411601 781273473 /nfs/dbraw/zinc/27/34/73/781273473.db2.gz BLXOTQCSZVVGQY-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CCOCC1 ZINC000708414916 781273919 /nfs/dbraw/zinc/27/39/19/781273919.db2.gz UCXNLUMIZBVGJN-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN CC(C)(C)OCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708442672 781275300 /nfs/dbraw/zinc/27/53/00/781275300.db2.gz NZOGFXYJIDFHEF-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN Cc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000708494440 781291261 /nfs/dbraw/zinc/29/12/61/781291261.db2.gz JQIAEIKYHKDLPS-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000708535602 781292258 /nfs/dbraw/zinc/29/22/58/781292258.db2.gz NOJYYDAEBVQMOU-SECBINFHSA-N 0 0 273.348 2.903 20 10 CFCDRN CCc1nc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000708548218 781293008 /nfs/dbraw/zinc/29/30/08/781293008.db2.gz CQLOLQLSAOOKHS-UHFFFAOYSA-N 0 0 284.331 2.979 20 10 CFCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708534900 781293044 /nfs/dbraw/zinc/29/30/44/781293044.db2.gz GITHXILIVZMHFA-NXEZZACHSA-N 0 0 271.307 2.575 20 10 CFCDRN Cc1oncc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001242603057 781633318 /nfs/dbraw/zinc/63/33/18/781633318.db2.gz UJVORBFRLYUYKT-UHFFFAOYSA-N 0 0 266.300 2.860 20 10 CFCDRN CCOc1cncc(-c2ncnc3c2ccn3CCOC)c1 ZINC001242656860 781674953 /nfs/dbraw/zinc/67/49/53/781674953.db2.gz JWODZOPSJGHPLX-UHFFFAOYSA-N 0 0 298.346 2.538 20 10 CFCDRN COCc1cncc(-c2ccn(CC(C)C)c(=O)c2)c1 ZINC001242957349 781874663 /nfs/dbraw/zinc/87/46/63/781874663.db2.gz PJBFUZRIRRPNMM-UHFFFAOYSA-N 0 0 272.348 2.713 20 10 CFCDRN O=c1cc(-c2cnn3ccccc23)ccn1CC(F)(F)F ZINC001242967581 781887511 /nfs/dbraw/zinc/88/75/11/781887511.db2.gz ZPZCTGKRGHYSII-UHFFFAOYSA-N 0 0 293.248 2.725 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC001120072137 781906049 /nfs/dbraw/zinc/90/60/49/781906049.db2.gz RLFLYVWXKHXXGO-CYBMUJFWSA-N 0 0 283.318 2.862 20 10 CFCDRN C[C@@H](CCCC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001120087630 781907969 /nfs/dbraw/zinc/90/79/69/781907969.db2.gz ONOZOUXGLPNWSU-LBPRGKRZSA-N 0 0 277.364 2.745 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000345269572 290615272 /nfs/dbraw/zinc/61/52/72/290615272.db2.gz PYVBBOYDSMLQKV-QWHCGFSZSA-N 0 0 288.391 2.914 20 10 CFCDRN C[C@H]1CC[C@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000188582482 290632526 /nfs/dbraw/zinc/63/25/26/290632526.db2.gz LCSQNNYGZHGUDK-GXTWGEPZSA-N 0 0 276.380 2.519 20 10 CFCDRN O=C(NCCCSc1nccs1)C1CCCC1 ZINC000074135879 346999174 /nfs/dbraw/zinc/99/91/74/346999174.db2.gz NWTTWBLRNNTLRT-UHFFFAOYSA-N 0 0 270.423 2.932 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)C(F)F ZINC000295101625 199346033 /nfs/dbraw/zinc/34/60/33/199346033.db2.gz SXTYFJWBBARPOM-KOLCDFICSA-N 0 0 297.704 2.679 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000047099515 346445026 /nfs/dbraw/zinc/44/50/26/346445026.db2.gz WTADPILUDYBDDW-OCCSQVGLSA-N 0 0 275.396 2.550 20 10 CFCDRN C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000053984420 346556296 /nfs/dbraw/zinc/55/62/96/346556296.db2.gz PXHVQAPPDNWVAA-CYBMUJFWSA-N 0 0 275.396 2.837 20 10 CFCDRN C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646594 346633783 /nfs/dbraw/zinc/63/37/83/346633783.db2.gz LGHOSOLTUADZAX-GFCCVEGCSA-N 0 0 293.386 2.976 20 10 CFCDRN Cc1nnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000077213869 347175287 /nfs/dbraw/zinc/17/52/87/347175287.db2.gz ZOGZCCSUHAYWCD-UHFFFAOYSA-N 0 0 266.345 2.664 20 10 CFCDRN CCC1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000084164932 347459499 /nfs/dbraw/zinc/45/94/99/347459499.db2.gz ZAUBENQSVFVTTG-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN CN(Cc1ccccc1O)c1nccc(C(F)(F)F)n1 ZINC000089635679 347524033 /nfs/dbraw/zinc/52/40/33/347524033.db2.gz BJLUOESQTGSHLF-UHFFFAOYSA-N 0 0 283.253 2.837 20 10 CFCDRN CN(Cc1ccccc1O)c1ncc(Br)cn1 ZINC000089635552 347524503 /nfs/dbraw/zinc/52/45/03/347524503.db2.gz SPMPRLQLMLGSIX-UHFFFAOYSA-N 0 0 294.152 2.581 20 10 CFCDRN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293680009 290825384 /nfs/dbraw/zinc/82/53/84/290825384.db2.gz RIBNDTANSFXWOG-LKFCYVNXSA-N 0 0 298.789 2.757 20 10 CFCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000143987150 347938824 /nfs/dbraw/zinc/93/88/24/347938824.db2.gz AYNQQSOYWZZJPO-ZDUSSCGKSA-N 0 0 278.396 2.574 20 10 CFCDRN CCC[C@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224876989 539671502 /nfs/dbraw/zinc/67/15/02/539671502.db2.gz XWJFMDAHWFVGSC-LLVKDONJSA-N 0 0 271.788 2.934 20 10 CFCDRN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000289245268 291058381 /nfs/dbraw/zinc/05/83/81/291058381.db2.gz ARFVKHFZGDFMKP-QWRGUYRKSA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nccc(N(C)C)n1 ZINC000301721009 540267314 /nfs/dbraw/zinc/26/73/14/540267314.db2.gz JJDBIXPGCIHYKF-UHFFFAOYSA-N 0 0 285.395 2.529 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000294532088 199075747 /nfs/dbraw/zinc/07/57/47/199075747.db2.gz DEWWFOUZSRPPOW-GFCCVEGCSA-N 0 0 299.729 2.991 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000294774729 199176378 /nfs/dbraw/zinc/17/63/78/199176378.db2.gz TXWNJCRJPQTOEQ-LLVKDONJSA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@H](CCCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294768199 199173829 /nfs/dbraw/zinc/17/38/29/199173829.db2.gz JXJVZZFQHWNODW-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCNC(=O)CC2)cc1Cl ZINC000296872152 200020921 /nfs/dbraw/zinc/02/09/21/200020921.db2.gz WFBLUZWXPFVERQ-LLVKDONJSA-N 0 0 296.798 2.701 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000297163868 200102013 /nfs/dbraw/zinc/10/20/13/200102013.db2.gz DAMHPPFHXILPBH-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000297079924 200079828 /nfs/dbraw/zinc/07/98/28/200079828.db2.gz DCQWOHLDCUMMBK-KGLIPLIRSA-N 0 0 285.391 2.613 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280865285 299349725 /nfs/dbraw/zinc/34/97/25/299349725.db2.gz CKWGSPNVLDVSGL-CMPLNLGQSA-N 0 0 294.351 2.502 20 10 CFCDRN CCn1ccc(-c2cnccc2Br)cc1=O ZINC001243057012 781960608 /nfs/dbraw/zinc/96/06/08/781960608.db2.gz MMJGRJOAFKWXJY-UHFFFAOYSA-N 0 0 279.137 2.693 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520497 299425562 /nfs/dbraw/zinc/42/55/62/299425562.db2.gz UCEGPXDHULCEJC-VWYCJHECSA-N 0 0 280.324 2.519 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1 ZINC000018215119 372145673 /nfs/dbraw/zinc/14/56/73/372145673.db2.gz UJUYWRKSGPXSKR-UHFFFAOYSA-N 0 0 297.402 2.749 20 10 CFCDRN CCCCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031726411 372416123 /nfs/dbraw/zinc/41/61/23/372416123.db2.gz HXDVFOFDFPRJDQ-UHFFFAOYSA-N 0 0 263.385 2.694 20 10 CFCDRN C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187730662 296189753 /nfs/dbraw/zinc/18/97/53/296189753.db2.gz PKGPBVDTWSDKIW-BBBLOLIVSA-N 0 0 273.323 2.728 20 10 CFCDRN CCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000060389849 373694824 /nfs/dbraw/zinc/69/48/24/373694824.db2.gz VYBTZKVQQANCPS-CQSZACIVSA-N 0 0 290.407 2.780 20 10 CFCDRN CCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841504 373958608 /nfs/dbraw/zinc/95/86/08/373958608.db2.gz DSJPAUKVGGIBTR-UHFFFAOYSA-N 0 0 252.333 2.698 20 10 CFCDRN CC[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841426 373959013 /nfs/dbraw/zinc/95/90/13/373959013.db2.gz GYLXRHCPXHUQGY-HNNXBMFYSA-N 0 0 296.386 2.713 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)nc1 ZINC000493387890 246574618 /nfs/dbraw/zinc/57/46/18/246574618.db2.gz PQRMSVJMKHFPHQ-VQHVLOKHSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291033517 296253844 /nfs/dbraw/zinc/25/38/44/296253844.db2.gz FMIVXQWKNLUYAB-CQSZACIVSA-N 0 0 273.332 2.503 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C1CCCC1 ZINC000126362242 377223542 /nfs/dbraw/zinc/22/35/42/377223542.db2.gz GYZQNBAAALHFPX-CYBMUJFWSA-N 0 0 275.348 2.893 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1F ZINC000128104967 377316506 /nfs/dbraw/zinc/31/65/06/377316506.db2.gz QSCPEVSLPSRILE-RHSMWYFYSA-N 0 0 292.398 2.893 20 10 CFCDRN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000128221149 377324540 /nfs/dbraw/zinc/32/45/40/377324540.db2.gz SBNDZJAGCNCDTJ-QWRGUYRKSA-N 0 0 290.190 2.948 20 10 CFCDRN COCCN(Cc1ccc(N(C)C)c(F)c1)CC(F)F ZINC000130212158 377523935 /nfs/dbraw/zinc/52/39/35/377523935.db2.gz BNKSJNUNKPTKEK-UHFFFAOYSA-N 0 0 290.329 2.605 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@H]2C2CC2)cc1F ZINC000130685659 377594189 /nfs/dbraw/zinc/59/41/89/377594189.db2.gz RTKJTNWROHYSMZ-INIZCTEOSA-N 0 0 278.371 2.503 20 10 CFCDRN CN(C)c1ccc(CNCc2c(Cl)cnn2C)cc1F ZINC000130899759 377626809 /nfs/dbraw/zinc/62/68/09/377626809.db2.gz RQCLKGAPAGNPCS-UHFFFAOYSA-N 0 0 296.777 2.568 20 10 CFCDRN CC(C)c1nccc(N(C)Cc2ccccc2O)n1 ZINC000131407944 377706864 /nfs/dbraw/zinc/70/68/64/377706864.db2.gz RZARCEIIUSMJSM-UHFFFAOYSA-N 0 0 257.337 2.942 20 10 CFCDRN CC(C)=CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000154931606 378603015 /nfs/dbraw/zinc/60/30/15/378603015.db2.gz ZZHKIHCUDWTGKA-UHFFFAOYSA-N 0 0 259.349 2.853 20 10 CFCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(F)F ZINC000334437848 379299208 /nfs/dbraw/zinc/29/92/08/379299208.db2.gz RYUPJUXLGLJONN-SNVBAGLBSA-N 0 0 298.333 2.769 20 10 CFCDRN CCC(C)(C)OC1CN(Cc2cccc(OC)c2O)C1 ZINC000529639370 383740904 /nfs/dbraw/zinc/74/09/04/383740904.db2.gz BTENJFMLHRUICH-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCCO1 ZINC000334722206 379826190 /nfs/dbraw/zinc/82/61/90/379826190.db2.gz BCKWRRWVOMRNAG-UHFFFAOYSA-N 0 0 287.363 2.724 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CC1 ZINC000335872450 380030220 /nfs/dbraw/zinc/03/02/20/380030220.db2.gz SKJMKELXEGBJRW-UHFFFAOYSA-N 0 0 271.364 2.791 20 10 CFCDRN C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ccccc2O)O1 ZINC000175503794 380076742 /nfs/dbraw/zinc/07/67/42/380076742.db2.gz RRZXKGGMEBXPIP-JSGCOSHPSA-N 0 0 277.364 2.698 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCOC1 ZINC000176128032 380182609 /nfs/dbraw/zinc/18/26/09/380182609.db2.gz XVDVFQUJPPWZMK-CQSZACIVSA-N 0 0 291.391 2.948 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@](C)(O)C2)cc1 ZINC000177349121 380331602 /nfs/dbraw/zinc/33/16/02/380331602.db2.gz OHJKMTKDGFLGLV-GOSISDBHSA-N 0 0 298.386 2.691 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000179780288 380580086 /nfs/dbraw/zinc/58/00/86/380580086.db2.gz DJIYJDWQXPORRT-LBPRGKRZSA-N 0 0 287.363 2.504 20 10 CFCDRN COCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180201338 380631645 /nfs/dbraw/zinc/63/16/45/380631645.db2.gz JBYFSNACIMOLPA-UHFFFAOYSA-N 0 0 299.798 2.673 20 10 CFCDRN CCc1ccnc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000179876666 380592188 /nfs/dbraw/zinc/59/21/88/380592188.db2.gz XWSBUBDLQWTMRU-UHFFFAOYSA-N 0 0 297.402 2.982 20 10 CFCDRN Oc1ccc(F)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000180020387 380611183 /nfs/dbraw/zinc/61/11/83/380611183.db2.gz AWIKFWLJRKZIBU-ZDUSSCGKSA-N 0 0 275.327 2.982 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(CO)o2)cc1F ZINC000180773396 380698176 /nfs/dbraw/zinc/69/81/76/380698176.db2.gz BAYYSBRLZABVGW-UHFFFAOYSA-N 0 0 265.284 2.556 20 10 CFCDRN CCC[C@@H]1SCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180785717 380699218 /nfs/dbraw/zinc/69/92/18/380699218.db2.gz OCSSPTHCNYZBEF-ZKKXHLJNSA-N 0 0 293.388 2.813 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000180817714 380702278 /nfs/dbraw/zinc/70/22/78/380702278.db2.gz HEUIPKGXBHQMGO-LUIPGBGBSA-N 0 0 287.359 2.902 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181250012 380765234 /nfs/dbraw/zinc/76/52/34/380765234.db2.gz JPIUTSWAXLEYQZ-OKPNEXGHSA-N 0 0 263.337 2.662 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cscn1 ZINC000181130751 380745281 /nfs/dbraw/zinc/74/52/81/380745281.db2.gz AWCATKGXSSEXKY-UHFFFAOYSA-N 0 0 275.377 2.608 20 10 CFCDRN CC1(C)CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181167290 380751209 /nfs/dbraw/zinc/75/12/09/380751209.db2.gz ATLGTRQPJOZRSR-OWNNVSBGSA-N 0 0 275.348 2.806 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCCC2(F)F)c1O ZINC000295377079 380818625 /nfs/dbraw/zinc/81/86/25/380818625.db2.gz XGONIVYFFIUXSD-LLVKDONJSA-N 0 0 299.317 2.843 20 10 CFCDRN Oc1ccccc1CNCc1noc2c1CCCC2 ZINC000288326930 381009848 /nfs/dbraw/zinc/00/98/48/381009848.db2.gz AKHIHNWLRISHAK-UHFFFAOYSA-N 0 0 258.321 2.549 20 10 CFCDRN CC(=O)C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000288811951 381021063 /nfs/dbraw/zinc/02/10/63/381021063.db2.gz HNBLRJHVXOHKFP-UHFFFAOYSA-N 0 0 294.401 2.867 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccc(F)cn3)ccc21 ZINC000182494605 381100013 /nfs/dbraw/zinc/10/00/13/381100013.db2.gz GRXROIRWSVAYDA-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccncc1 ZINC000182497309 381101826 /nfs/dbraw/zinc/10/18/26/381101826.db2.gz RIJCEPIBIGEXPJ-CYBMUJFWSA-N 0 0 286.331 2.682 20 10 CFCDRN CC(C(=O)NCc1ccc(O)c(O)c1)=C1CCCC1 ZINC000182517054 381103180 /nfs/dbraw/zinc/10/31/80/381103180.db2.gz RVVFISKBQMBCCM-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN CC(C)CC(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000182541388 381107959 /nfs/dbraw/zinc/10/79/59/381107959.db2.gz PCSFXAWOHRXSOO-UHFFFAOYSA-N 0 0 265.353 2.786 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)C2(C)CC2)c(O)c1O ZINC000182579909 381115492 /nfs/dbraw/zinc/11/54/92/381115492.db2.gz ZJTJSMYDBOFCRM-SNVBAGLBSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295926081 381161029 /nfs/dbraw/zinc/16/10/29/381161029.db2.gz JZRHLVJJVUQPML-NVXWUHKLSA-N 0 0 299.370 2.711 20 10 CFCDRN CO[C@H](C)CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182997560 381195835 /nfs/dbraw/zinc/19/58/35/381195835.db2.gz MFEVJZDYEWNHNF-CYBMUJFWSA-N 0 0 278.396 2.526 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C(C)(C)C ZINC000183460720 381273427 /nfs/dbraw/zinc/27/34/27/381273427.db2.gz PSJBFUBLTWLKEQ-AEZGRPFRSA-N 0 0 277.364 2.747 20 10 CFCDRN CCOc1ccc(O)c(CN(CC)CC(F)F)c1 ZINC000184091320 381370199 /nfs/dbraw/zinc/37/01/99/381370199.db2.gz BOOVCZQWZJNMST-UHFFFAOYSA-N 0 0 259.296 2.878 20 10 CFCDRN Cc1ccc(OCCC(=O)NCc2ccc(N)cc2)cc1C ZINC000297164183 381553586 /nfs/dbraw/zinc/55/35/86/381553586.db2.gz JYDMZGDPVLSSRF-UHFFFAOYSA-N 0 0 298.386 2.971 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CF)cc1F ZINC000297423484 381561547 /nfs/dbraw/zinc/56/15/47/381561547.db2.gz ZEJAFQXCJJJUMM-GFCCVEGCSA-N 0 0 297.349 2.535 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCCC(C)(F)F ZINC000297451417 381561614 /nfs/dbraw/zinc/56/16/14/381561614.db2.gz BRMWPNGWSPQNMS-UHFFFAOYSA-N 0 0 286.322 2.969 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000298543435 381668691 /nfs/dbraw/zinc/66/86/91/381668691.db2.gz WUIGKEARFYXWRG-GFCCVEGCSA-N 0 0 287.407 2.667 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)ccc1O ZINC000185638447 381689977 /nfs/dbraw/zinc/68/99/77/381689977.db2.gz PIUWLDVPJHJJJX-NOZJJQNGSA-N 0 0 287.812 2.564 20 10 CFCDRN CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298758594 381739353 /nfs/dbraw/zinc/73/93/53/381739353.db2.gz ZMFYBHVUJDMRLB-UHFFFAOYSA-N 0 0 263.385 2.693 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000186143420 381833475 /nfs/dbraw/zinc/83/34/75/381833475.db2.gz KYAQODHYBINRHW-CMPLNLGQSA-N 0 0 269.360 2.979 20 10 CFCDRN COCC(C)(C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000292786306 381835296 /nfs/dbraw/zinc/83/52/96/381835296.db2.gz LYGLOEZPILYZST-UHFFFAOYSA-N 0 0 257.761 2.902 20 10 CFCDRN Cc1cccc(CNc2cnc3c(c2)COCC3)c1O ZINC000373196813 381945529 /nfs/dbraw/zinc/94/55/29/381945529.db2.gz BHMSBEVUGXNKKH-UHFFFAOYSA-N 0 0 270.332 2.780 20 10 CFCDRN O=c1[nH]ncc(N2CC=C(c3cccnc3)CC2)c1Cl ZINC000375353673 382081952 /nfs/dbraw/zinc/08/19/52/382081952.db2.gz QFXBITJGJFAZTD-UHFFFAOYSA-N 0 0 288.738 2.524 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375354338 382082057 /nfs/dbraw/zinc/08/20/57/382082057.db2.gz FUVMCOBSWRBCDH-OAHLLOKOSA-N 0 0 270.380 2.813 20 10 CFCDRN CCS[C@H]1CCCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187088177 382095128 /nfs/dbraw/zinc/09/51/28/382095128.db2.gz FJTSXGYVRXVYMR-NSHDSACASA-N 0 0 295.404 2.846 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N(C)C1CC1 ZINC000293562896 382175031 /nfs/dbraw/zinc/17/50/31/382175031.db2.gz IFJAIRHGIVQWLD-SECBINFHSA-N 0 0 286.778 2.757 20 10 CFCDRN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293680019 382230363 /nfs/dbraw/zinc/23/03/63/382230363.db2.gz RIBNDTANSFXWOG-YMTOWFKASA-N 0 0 298.789 2.757 20 10 CFCDRN COC[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293797460 382283201 /nfs/dbraw/zinc/28/32/01/382283201.db2.gz BUWFMPSEKWXGBG-MRVPVSSYSA-N 0 0 261.724 2.557 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000293715749 382247647 /nfs/dbraw/zinc/24/76/47/382247647.db2.gz STMIJCPNNGIWOM-CYBMUJFWSA-N 0 0 273.735 2.699 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000377465993 382273416 /nfs/dbraw/zinc/27/34/16/382273416.db2.gz USSNQONSLNBSCW-AWEZNQCLSA-N 0 0 288.734 2.864 20 10 CFCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1c1ccncc1 ZINC000293849092 382304356 /nfs/dbraw/zinc/30/43/56/382304356.db2.gz JAQFEQNLOFVAHH-HNNXBMFYSA-N 0 0 298.342 2.716 20 10 CFCDRN Oc1ccc(F)cc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000364320864 382305757 /nfs/dbraw/zinc/30/57/57/382305757.db2.gz AAPXLYLFTODVFH-OAHLLOKOSA-N 0 0 298.321 2.529 20 10 CFCDRN COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000188106613 382345196 /nfs/dbraw/zinc/34/51/96/382345196.db2.gz SGBFYBMRGIWSQD-UKRRQHHQSA-N 0 0 291.391 2.640 20 10 CFCDRN Cc1ccc(C(=O)Nc2cccc(C3CC3)n2)c(O)c1O ZINC000293903048 382329445 /nfs/dbraw/zinc/32/94/45/382329445.db2.gz LPNAXYQWHPLDPO-UHFFFAOYSA-N 0 0 284.315 2.931 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293835437 382297524 /nfs/dbraw/zinc/29/75/24/382297524.db2.gz GTIFHVUKAQOJTG-HTQZYQBOSA-N 0 0 261.724 2.698 20 10 CFCDRN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000294001426 382373363 /nfs/dbraw/zinc/37/33/63/382373363.db2.gz SUJSWZZXJYVVKQ-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1cccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000294025063 382383811 /nfs/dbraw/zinc/38/38/11/382383811.db2.gz NTOLHDPCINFDTM-QGZVFWFLSA-N 0 0 293.407 2.631 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365799856 382446556 /nfs/dbraw/zinc/44/65/56/382446556.db2.gz XWKISUDICJWYGR-NSHDSACASA-N 0 0 292.335 2.541 20 10 CFCDRN COc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000294202617 382458214 /nfs/dbraw/zinc/45/82/14/382458214.db2.gz XWBQMFORMHLKFC-IRXDYDNUSA-N 0 0 289.375 2.544 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000378501859 382475026 /nfs/dbraw/zinc/47/50/26/382475026.db2.gz ZRJGWRHFOPFHGY-CQSZACIVSA-N 0 0 278.371 2.592 20 10 CFCDRN COCc1nc(C)cc(N2CC=C(c3cccnc3)CC2)n1 ZINC000378606197 382490083 /nfs/dbraw/zinc/49/00/83/382490083.db2.gz CGYATFDLONGDKI-UHFFFAOYSA-N 0 0 296.374 2.620 20 10 CFCDRN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294736621 382526758 /nfs/dbraw/zinc/52/67/58/382526758.db2.gz GUBNMHVDIKGYHK-LBPRGKRZSA-N 0 0 273.735 2.842 20 10 CFCDRN C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(CO)CC1 ZINC000188959472 382512348 /nfs/dbraw/zinc/51/23/48/382512348.db2.gz AXWPVTLSSCZAER-UHFFFAOYSA-N 0 0 288.435 2.881 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000294404770 382513107 /nfs/dbraw/zinc/51/31/07/382513107.db2.gz WCOUYXBPAXBYIU-JTQLQIEISA-N 0 0 273.735 2.843 20 10 CFCDRN CSC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000294581417 382517120 /nfs/dbraw/zinc/51/71/20/382517120.db2.gz HROMWHYPMYUPGZ-LLVKDONJSA-N 0 0 295.404 2.621 20 10 CFCDRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccc(O)c1O ZINC000189523670 382620119 /nfs/dbraw/zinc/62/01/19/382620119.db2.gz IQTVUHJBBWEHST-UHOFOFEASA-N 0 0 295.338 2.556 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC[C@@]23CCOC3=O)c1O ZINC000190035430 382651081 /nfs/dbraw/zinc/65/10/81/382651081.db2.gz OEECASAYWAHRLS-HNNXBMFYSA-N 0 0 295.766 2.636 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000190306791 382661539 /nfs/dbraw/zinc/66/15/39/382661539.db2.gz WBIMPVKPYYOZPG-GWCFXTLKSA-N 0 0 269.772 2.686 20 10 CFCDRN CCCOc1ccc(C[NH2+]CCOCC(F)F)c(O)c1 ZINC000190900498 382684406 /nfs/dbraw/zinc/68/44/06/382684406.db2.gz QNABHVSWWXETSY-UHFFFAOYSA-N 0 0 289.322 2.552 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2ccc(F)cc21 ZINC000493753668 382895647 /nfs/dbraw/zinc/89/56/47/382895647.db2.gz MNOKOUPKSLVLHL-UTCJRWHESA-N 0 0 268.291 2.823 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000248480621 383249352 /nfs/dbraw/zinc/24/93/52/383249352.db2.gz ATLVMPVEZNDCAB-JQWOWJDXSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1[O-] ZINC000248485983 383249986 /nfs/dbraw/zinc/24/99/86/383249986.db2.gz FIPYUZPCDNHHOP-UDTVLSCZSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2O)[C@@H]1C1CC1 ZINC000528823052 383647868 /nfs/dbraw/zinc/64/78/68/383647868.db2.gz FNZJVDVIAJHVAL-NZVBXONLSA-N 0 0 259.349 2.643 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176920 383767827 /nfs/dbraw/zinc/76/78/27/383767827.db2.gz FBQOMRMWGJQHLV-GFCCVEGCSA-N 0 0 284.762 2.559 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@]12CCc1ccccc12 ZINC000266554384 384197748 /nfs/dbraw/zinc/19/77/48/384197748.db2.gz MVLDUEZGIFGNBX-APWZRJJASA-N 0 0 293.366 2.913 20 10 CFCDRN CCc1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000267360613 384368662 /nfs/dbraw/zinc/36/86/62/384368662.db2.gz ICPWPEBQJXDFAX-UHFFFAOYSA-N 0 0 280.372 2.918 20 10 CFCDRN CC(C)[N@H+](Cc1cncn1C)Cc1ccc(N(C)C)cc1 ZINC000267562368 384413833 /nfs/dbraw/zinc/41/38/33/384413833.db2.gz AYJBQAMAAQRCFP-UHFFFAOYSA-N 0 0 286.423 2.897 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCO2)cc1 ZINC000267924658 384490521 /nfs/dbraw/zinc/49/05/21/384490521.db2.gz BPIFZDJKFRBQSC-QGZVFWFLSA-N 0 0 290.407 2.718 20 10 CFCDRN COC(=O)c1ccoc1CN(C)c1ccc(OC)c(F)c1 ZINC000268160727 384549186 /nfs/dbraw/zinc/54/91/86/384549186.db2.gz JIWPPHUJTHWOCG-UHFFFAOYSA-N 0 0 293.294 2.850 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)COC)cc1 ZINC000270017628 384943695 /nfs/dbraw/zinc/94/36/95/384943695.db2.gz HYLHPSGVFHPGHO-UHFFFAOYSA-N 0 0 292.423 2.822 20 10 CFCDRN CN(C)c1ccc(OCc2ccc(CO)cc2)cc1 ZINC000281156133 385185076 /nfs/dbraw/zinc/18/50/76/385185076.db2.gz KZKMZBDZPJDYOJ-UHFFFAOYSA-N 0 0 257.333 2.824 20 10 CFCDRN CCCC[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000282485115 385324553 /nfs/dbraw/zinc/32/45/53/385324553.db2.gz MPRQECBLSHPLKQ-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC ZINC000282399229 385300873 /nfs/dbraw/zinc/30/08/73/385300873.db2.gz FCROZPQJZLDCSM-CYBMUJFWSA-N 0 0 279.380 2.946 20 10 CFCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1O ZINC000282775413 385386933 /nfs/dbraw/zinc/38/69/33/385386933.db2.gz PFXLBILUGKRVPW-SNVBAGLBSA-N 0 0 292.358 2.729 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cocn1 ZINC000282495110 385327052 /nfs/dbraw/zinc/32/70/52/385327052.db2.gz MVXQVZHPTOYFJY-UHFFFAOYSA-N 0 0 274.320 2.823 20 10 CFCDRN C[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])C(C)(C)C1 ZINC000271839915 385393553 /nfs/dbraw/zinc/39/35/53/385393553.db2.gz QBNKAXOECIXKKW-UHFFFAOYSA-N 0 0 268.788 2.572 20 10 CFCDRN CCC1(O)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271869878 385395256 /nfs/dbraw/zinc/39/52/56/385395256.db2.gz RWCQEAHVYCVSLF-UHFFFAOYSA-N 0 0 269.772 2.783 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nc(C2CC2)no1 ZINC000272028635 385430172 /nfs/dbraw/zinc/43/01/72/385430172.db2.gz DIPHMEYZBRJDQH-UHFFFAOYSA-N 0 0 265.700 2.918 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+](CCO)C1CCCCC1 ZINC000272312744 385507738 /nfs/dbraw/zinc/50/77/38/385507738.db2.gz RVAWRFWQGDLUIW-UHFFFAOYSA-N 0 0 267.344 2.658 20 10 CFCDRN Cc1nccn1CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284086019 385533535 /nfs/dbraw/zinc/53/35/35/385533535.db2.gz MAJLTDZFMOPLGA-ZDUSSCGKSA-N 0 0 273.380 2.865 20 10 CFCDRN CC(C)(C)CCC(=O)NCc1ccc(O)c(O)c1 ZINC000272382385 385524297 /nfs/dbraw/zinc/52/42/97/385524297.db2.gz WHXQABUYQCZGAR-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN CN(C)c1ccc(CNc2nnco2)c(C(F)(F)F)c1 ZINC000285084419 385550942 /nfs/dbraw/zinc/55/09/42/385550942.db2.gz KAZQCEKBHYUKOE-UHFFFAOYSA-N 0 0 286.257 2.767 20 10 CFCDRN c1nnc(NCc2ccc(N3CCCCC3)cc2)o1 ZINC000285056098 385551035 /nfs/dbraw/zinc/55/10/35/385551035.db2.gz HVOKFWLCGCRBDR-UHFFFAOYSA-N 0 0 258.325 2.672 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285114034 385552328 /nfs/dbraw/zinc/55/23/28/385552328.db2.gz IBVBPLURHJGRDC-UHFFFAOYSA-N 0 0 297.402 2.890 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(F)cc1[O-] ZINC000285456622 385555162 /nfs/dbraw/zinc/55/51/62/385555162.db2.gz ACMXWPOMMAOIOO-FZMZJTMJSA-N 0 0 277.343 2.857 20 10 CFCDRN Cc1noc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000285846459 385557953 /nfs/dbraw/zinc/55/79/53/385557953.db2.gz XQVLETQZVJSLJY-OAHLLOKOSA-N 0 0 286.379 2.781 20 10 CFCDRN CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286048246 385559590 /nfs/dbraw/zinc/55/95/90/385559590.db2.gz KVMNJJAUNFOGMY-OCCSQVGLSA-N 0 0 294.370 2.583 20 10 CFCDRN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(F)cc1[O-] ZINC000286140228 385563976 /nfs/dbraw/zinc/56/39/76/385563976.db2.gz OKKRGQICVQDSBM-RISCZKNCSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@H]([NH2+][C@H](COC)C1CC1)c1ccc(F)cc1[O-] ZINC000286193439 385569546 /nfs/dbraw/zinc/56/95/46/385569546.db2.gz QXBNNHPVSNQOKO-UONOGXRCSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286204485 385571823 /nfs/dbraw/zinc/57/18/23/385571823.db2.gz RMVPHAGCJMZRCW-TZMCWYRMSA-N 0 0 294.370 2.581 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)C(C)C)c(O)c1O ZINC000272652354 385582894 /nfs/dbraw/zinc/58/28/94/385582894.db2.gz KQIOUIFHVIHTRW-SNVBAGLBSA-N 0 0 251.326 2.523 20 10 CFCDRN Nc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000272658383 385583811 /nfs/dbraw/zinc/58/38/11/385583811.db2.gz HDOYRJSIRQEZHX-UHFFFAOYSA-N 0 0 296.370 2.783 20 10 CFCDRN CC[C@@H]1C[C@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272788920 385616172 /nfs/dbraw/zinc/61/61/72/385616172.db2.gz JLFYZHPFDXHCCA-TZMCWYRMSA-N 0 0 277.364 2.604 20 10 CFCDRN CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273350617 385677689 /nfs/dbraw/zinc/67/76/89/385677689.db2.gz BOYCXSGRCMNUSC-NHYWBVRUSA-N 0 0 281.371 2.979 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364240 385679081 /nfs/dbraw/zinc/67/90/81/385679081.db2.gz BADJEECKBDOERG-UWVGGRQHSA-N 0 0 282.365 2.847 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000273437107 385682822 /nfs/dbraw/zinc/68/28/22/385682822.db2.gz XIXPBPYPAVVURJ-SNVBAGLBSA-N 0 0 263.337 2.772 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273472155 385685309 /nfs/dbraw/zinc/68/53/09/385685309.db2.gz JVUVSAFMCMMUPW-QWRGUYRKSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1noc(CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000273527068 385686622 /nfs/dbraw/zinc/68/66/22/385686622.db2.gz VNGUVZHZVWXBBS-SECBINFHSA-N 0 0 279.315 2.506 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000273547895 385688036 /nfs/dbraw/zinc/68/80/36/385688036.db2.gz ZUQODAMHPMPXIH-RNCFNFMXSA-N 0 0 263.337 2.628 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000273565492 385689172 /nfs/dbraw/zinc/68/91/72/385689172.db2.gz JKOFLHHDCFOXPF-PWSUYJOCSA-N 0 0 295.404 2.725 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c(O)c1O ZINC000274287240 385756892 /nfs/dbraw/zinc/75/68/92/385756892.db2.gz ZZANWUNYUOPJTM-NSHDSACASA-N 0 0 277.364 2.914 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881345 386069367 /nfs/dbraw/zinc/06/93/67/386069367.db2.gz GDBRDPLWDDEMNB-BPNCWPANSA-N 0 0 296.361 2.948 20 10 CFCDRN CCn1ccc(-c2cc(Br)cnc2F)cc1=O ZINC001243080654 781978962 /nfs/dbraw/zinc/97/89/62/781978962.db2.gz FXBMAPYCVCKZJL-UHFFFAOYSA-N 0 0 297.127 2.832 20 10 CFCDRN COCCn1ccc(-c2ccc(Cl)nc2Cl)cc1=O ZINC001243088531 781981352 /nfs/dbraw/zinc/98/13/52/781981352.db2.gz DKTGQVRUHJMOAG-UHFFFAOYSA-N 0 0 299.157 2.864 20 10 CFCDRN Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000301839452 393480362 /nfs/dbraw/zinc/48/03/62/393480362.db2.gz XMBNWWGZOHXWIL-CQSZACIVSA-N 0 0 298.390 2.795 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372446397 393450244 /nfs/dbraw/zinc/45/02/44/393450244.db2.gz LJSWYAYDTSPBOS-CYBMUJFWSA-N 0 0 287.407 2.620 20 10 CFCDRN Cc1cc([N+](=O)[O-])cnc1N1CC=C(c2cccnc2)CC1 ZINC000378526250 393546847 /nfs/dbraw/zinc/54/68/47/393546847.db2.gz LNYZMHGYWUQWAI-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(C)oc2C)c1O ZINC000105653033 393864370 /nfs/dbraw/zinc/86/43/70/393864370.db2.gz GCOZWPWROWCGIC-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000109543651 393879755 /nfs/dbraw/zinc/87/97/55/393879755.db2.gz VJBVHFUEEOPQPR-SNVBAGLBSA-N 0 0 276.163 2.968 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccnn1C ZINC000120584346 393936146 /nfs/dbraw/zinc/93/61/46/393936146.db2.gz RWCHOMNDXXCRTQ-CMDGGOBGSA-N 0 0 299.374 2.578 20 10 CFCDRN CN(C[C@@H](O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000121386029 393954871 /nfs/dbraw/zinc/95/48/71/393954871.db2.gz MQWRDIZFJXOQLV-CQSZACIVSA-N 0 0 289.306 2.724 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cccnc1 ZINC000348633093 393955350 /nfs/dbraw/zinc/95/53/50/393955350.db2.gz CVHDBWVYAXHEKB-UHFFFAOYSA-N 0 0 293.370 2.741 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122314570 393968055 /nfs/dbraw/zinc/96/80/55/393968055.db2.gz ARZGBVXSNXPZCL-YPMHNXCESA-N 0 0 277.364 2.583 20 10 CFCDRN CC[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000122638609 393970729 /nfs/dbraw/zinc/97/07/29/393970729.db2.gz RYWGYLVILZUFOQ-ZDUSSCGKSA-N 0 0 279.380 2.829 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000280603024 394073209 /nfs/dbraw/zinc/07/32/09/394073209.db2.gz OEEKQAUJONEOHK-QMTHXVAHSA-N 0 0 265.328 2.531 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000492871273 394085932 /nfs/dbraw/zinc/08/59/32/394085932.db2.gz XDDVAUUFAJCWID-WTKPLQERSA-N 0 0 285.347 2.873 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000493306331 394205776 /nfs/dbraw/zinc/20/57/76/394205776.db2.gz RUAUGDXVNXGFLN-CSKARUKUSA-N 0 0 297.314 2.974 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367047809 394250412 /nfs/dbraw/zinc/25/04/12/394250412.db2.gz NDOIDCZQOQIMRT-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1ccc2c(c1)OCO2 ZINC000493856456 394331375 /nfs/dbraw/zinc/33/13/75/394331375.db2.gz PFRBEPLFOXTOKY-HYXAFXHYSA-N 0 0 288.328 2.548 20 10 CFCDRN Cc1nnc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)[nH]1 ZINC000365840538 413118546 /nfs/dbraw/zinc/11/85/46/413118546.db2.gz WIGFBBIAJQZDDE-INIZCTEOSA-N 0 0 299.422 2.906 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1csnn1 ZINC000291576978 286389071 /nfs/dbraw/zinc/38/90/71/286389071.db2.gz OKYCQPWDWKRPSO-UHFFFAOYSA-N 0 0 275.377 2.890 20 10 CFCDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187717118 286810556 /nfs/dbraw/zinc/81/05/56/286810556.db2.gz PANGJUWXCOZADX-VDDIYKPWSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000015593714 170672537 /nfs/dbraw/zinc/67/25/37/170672537.db2.gz ISKZZXVWMVSOND-CYBMUJFWSA-N 0 0 295.390 2.646 20 10 CFCDRN CCOc1ccc(-c2ccn(CC)c(=O)c2)c(OCC)n1 ZINC001243155234 782022966 /nfs/dbraw/zinc/02/29/66/782022966.db2.gz HTWYZDXBKBIHEN-UHFFFAOYSA-N 0 0 288.347 2.728 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccn1 ZINC000089422143 260440458 /nfs/dbraw/zinc/44/04/58/260440458.db2.gz BNISZMDCOPPUQP-SOFGYWHQSA-N 0 0 273.723 2.806 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000152547340 261065270 /nfs/dbraw/zinc/06/52/70/261065270.db2.gz VJFMQVNZGOQBNU-OCCSQVGLSA-N 0 0 260.381 2.754 20 10 CFCDRN O=C(C[C@H]1CC=CCC1)NCCc1ccc(O)c(O)c1 ZINC000934938618 649858856 /nfs/dbraw/zinc/85/88/56/649858856.db2.gz HCMGIXHKGKLVLV-LBPRGKRZSA-N 0 0 275.348 2.503 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000934940001 649859303 /nfs/dbraw/zinc/85/93/03/649859303.db2.gz FQMMFEDURCGXBF-LYOVBCGYSA-N 0 0 275.348 2.768 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C)CC=CC2)c1 ZINC000934940557 649859353 /nfs/dbraw/zinc/85/93/53/649859353.db2.gz PHUIXXSTWZKISQ-NSHDSACASA-N 0 0 275.348 2.934 20 10 CFCDRN COc1ccc(N2CCC(N(C)C(=O)C3CC3)CC2)cc1 ZINC000363202240 267079846 /nfs/dbraw/zinc/07/98/46/267079846.db2.gz OPAXBDXRXXMLMV-UHFFFAOYSA-N 0 0 288.391 2.532 20 10 CFCDRN Cc1noc(-c2ccnc(N(C)Cc3ccccc3O)c2)n1 ZINC000370391125 267315785 /nfs/dbraw/zinc/31/57/85/267315785.db2.gz ZPCMKHKJAGKVNW-UHFFFAOYSA-N 0 0 296.330 2.782 20 10 CFCDRN Cc1ccc(C(=O)N2CCC3(CCC3)CC2)c(O)c1O ZINC000376437101 267976873 /nfs/dbraw/zinc/97/68/73/267976873.db2.gz SUUJWKVOFZXQRR-UHFFFAOYSA-N 0 0 275.348 2.813 20 10 CFCDRN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cccc(Cl)c1[O-] ZINC000286916778 288050201 /nfs/dbraw/zinc/05/02/01/288050201.db2.gz FKNIPIGACZDTPQ-VZJVUDMVSA-N 0 0 299.798 2.626 20 10 CFCDRN COc1cccc(CN(CC(F)F)C2CC2)c1O ZINC000093276715 295294962 /nfs/dbraw/zinc/29/49/62/295294962.db2.gz HVPZEYZNWDPSPP-UHFFFAOYSA-N 0 0 257.280 2.630 20 10 CFCDRN Nc1ccc(CC(=O)N2C[C@@H]3CCCCC[C@@H]32)cc1 ZINC000366343707 295352357 /nfs/dbraw/zinc/35/23/57/295352357.db2.gz CHHWTPDBRVYLNZ-ZFWWWQNUSA-N 0 0 258.365 2.602 20 10 CFCDRN CCOc1ccccc1N(C)C(=O)/C=C\c1cnn(C)c1C ZINC000255420776 326971361 /nfs/dbraw/zinc/97/13/61/326971361.db2.gz PNFORIMNHBALEL-KHPPLWFESA-N 0 0 299.374 2.803 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCc3cccc(C)c32)cnn1C ZINC000255868037 327022073 /nfs/dbraw/zinc/02/20/73/327022073.db2.gz NUYKOPYRHNDZCV-FPLPWBNLSA-N 0 0 281.359 2.639 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2cccc(O)c21 ZINC000255898835 327026508 /nfs/dbraw/zinc/02/65/08/327026508.db2.gz PLASMZNYPFABNQ-SREVYHEPSA-N 0 0 298.317 2.919 20 10 CFCDRN CN(C(=O)/C=C/c1cnccn1)c1ccc2ccccc2n1 ZINC000491946004 332376455 /nfs/dbraw/zinc/37/64/55/332376455.db2.gz SLOLNENIRMSQEN-VQHVLOKHSA-N 0 0 290.326 2.701 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492013796 332379342 /nfs/dbraw/zinc/37/93/42/332379342.db2.gz FYCWAXHXNSBMHF-KTKRTIGZSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cnccn1)C[C@H](C)O2 ZINC000492052582 332380824 /nfs/dbraw/zinc/38/08/24/332380824.db2.gz VNQROWCIKSLNGD-BPJJOFIESA-N 0 0 295.342 2.612 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2cccc(F)c21 ZINC000492199541 332386959 /nfs/dbraw/zinc/38/69/59/332386959.db2.gz WPNXOLRROURGOB-SREVYHEPSA-N 0 0 268.291 2.823 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2ncccc21 ZINC000492415640 332396522 /nfs/dbraw/zinc/39/65/22/332396522.db2.gz LBLHEUYSXZWCRL-GFUIURDCSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2cnccc2C)c1 ZINC000492591124 332404539 /nfs/dbraw/zinc/40/45/39/332404539.db2.gz MADBPAICIBCITO-PLNGDYQASA-N 0 0 267.332 2.770 20 10 CFCDRN COc1ncccc1N(C)C(=O)/C=C/c1scnc1C ZINC000492665101 332408738 /nfs/dbraw/zinc/40/87/38/332408738.db2.gz ZIDBIEUKSAUICP-VOTSOKGWSA-N 0 0 289.360 2.531 20 10 CFCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2c(O)cccc21 ZINC000492814160 332414485 /nfs/dbraw/zinc/41/44/85/332414485.db2.gz STLWQUCOWFMYRS-ISALQUGTSA-N 0 0 283.331 2.669 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC23CC3)c1 ZINC000528860354 333462309 /nfs/dbraw/zinc/46/23/09/333462309.db2.gz GVGXXKPMEUNKPM-CYBMUJFWSA-N 0 0 275.348 2.597 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529654539 333504168 /nfs/dbraw/zinc/50/41/68/333504168.db2.gz XQBRDBPPDRARGL-OLZOCXBDSA-N 0 0 273.735 2.842 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccnc2N(C)C)c1 ZINC000132570403 333985285 /nfs/dbraw/zinc/98/52/85/333985285.db2.gz IKHDOBWWTXVRSY-BQYQJAHWSA-N 0 0 296.374 2.527 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073870303 521810228 /nfs/dbraw/zinc/81/02/28/521810228.db2.gz JSJQWOJMKYUUEG-WDEREUQCSA-N 0 0 280.368 2.635 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CO)c1O ZINC000050152223 518279731 /nfs/dbraw/zinc/27/97/31/518279731.db2.gz SAEHNOHGQBCPNJ-ZDUSSCGKSA-N 0 0 297.782 2.595 20 10 CFCDRN CC(C)CCCC(=O)NCc1ccc(O)c(O)c1 ZINC000296232936 519638076 /nfs/dbraw/zinc/63/80/76/519638076.db2.gz DYHQSWZPJYXUIJ-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN CC(C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299237837 519753367 /nfs/dbraw/zinc/75/33/67/519753367.db2.gz HPMWYDVXSYQMHV-UHFFFAOYSA-N 0 0 290.407 2.669 20 10 CFCDRN CC(C)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173197141 519789894 /nfs/dbraw/zinc/78/98/94/519789894.db2.gz WZPYVVHYFQCEDM-GFCCVEGCSA-N 0 0 276.380 2.770 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372286947 519828012 /nfs/dbraw/zinc/82/80/12/519828012.db2.gz CPRKAIHHMWBXGP-HUUCEWRRSA-N 0 0 272.392 2.587 20 10 CFCDRN CCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072622161 519862497 /nfs/dbraw/zinc/86/24/97/519862497.db2.gz KZNMZCJKXNSWGD-CQSZACIVSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCCC(=O)NCc1cccc(Br)c1O ZINC000277579882 519911720 /nfs/dbraw/zinc/91/17/20/519911720.db2.gz RKGOBQGBLLYQGR-UHFFFAOYSA-N 0 0 286.169 2.961 20 10 CFCDRN CC(C)c1occc1C(=O)NCc1ccc(O)c(O)c1 ZINC000280638471 519914907 /nfs/dbraw/zinc/91/49/07/519914907.db2.gz CDFHMHIMAGNSTO-UHFFFAOYSA-N 0 0 275.304 2.744 20 10 CFCDRN CC(C)n1cnnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000292123760 520057082 /nfs/dbraw/zinc/05/70/82/520057082.db2.gz ASCUPUHXMVBGBV-UHFFFAOYSA-N 0 0 287.411 2.557 20 10 CFCDRN CCONC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275167749 520226931 /nfs/dbraw/zinc/22/69/31/520226931.db2.gz WDBJHGCCKCABRE-UHFFFAOYSA-N 0 0 279.384 2.624 20 10 CFCDRN CC1(C)CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000194364690 520315043 /nfs/dbraw/zinc/31/50/43/520315043.db2.gz SUEUIEWUKFNTSF-ZDUSSCGKSA-N 0 0 291.391 2.973 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)n[nH]1 ZINC000282531440 520546913 /nfs/dbraw/zinc/54/69/13/520546913.db2.gz QMJNLLKIZFVQKE-UHFFFAOYSA-N 0 0 287.363 2.866 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnnc(C)c1 ZINC000282445025 520550052 /nfs/dbraw/zinc/55/00/52/520550052.db2.gz IJGUDWMDGAKJKS-UHFFFAOYSA-N 0 0 299.374 2.933 20 10 CFCDRN CCN(CC)[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000279729124 520859443 /nfs/dbraw/zinc/85/94/43/520859443.db2.gz VRBRNWIWFDIVBX-LLVKDONJSA-N 0 0 270.804 2.866 20 10 CFCDRN CCN(CC)c1ccc(CNCc2cocn2)cc1F ZINC000236929980 520907588 /nfs/dbraw/zinc/90/75/88/520907588.db2.gz WJNSFTTXBKTFQP-UHFFFAOYSA-N 0 0 277.343 2.950 20 10 CFCDRN CCN(CC)c1ccc(CNCc2cc[nH]n2)cc1 ZINC000041014673 520907775 /nfs/dbraw/zinc/90/77/75/520907775.db2.gz HUFGZSVUFUWDLL-UHFFFAOYSA-N 0 0 258.369 2.546 20 10 CFCDRN CC1CCC(C)(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236661503 520912813 /nfs/dbraw/zinc/91/28/13/520912813.db2.gz CAYBJCVZPCKKHD-UHFFFAOYSA-N 0 0 260.381 2.896 20 10 CFCDRN CCC[C@@](C)(NCc1cccc(OCC)c1O)C(=O)OC ZINC000180036300 520926373 /nfs/dbraw/zinc/92/63/73/520926373.db2.gz NQUXEFIAXAPSBY-MRXNPFEDSA-N 0 0 295.379 2.612 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224810600 520939039 /nfs/dbraw/zinc/93/90/39/520939039.db2.gz ZHEDHOGMKSYGCC-CYBMUJFWSA-N 0 0 257.761 2.686 20 10 CFCDRN CCC[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173194060 520996538 /nfs/dbraw/zinc/99/65/38/520996538.db2.gz FXTNVKHLFTZEIN-LBPRGKRZSA-N 0 0 276.380 2.914 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nnc(C)n2C)cc1 ZINC000299383478 521028152 /nfs/dbraw/zinc/02/81/52/521028152.db2.gz HPWMHRSGHZUUIO-UHFFFAOYSA-N 0 0 274.368 2.549 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cnns2)cc1 ZINC000295700975 521028856 /nfs/dbraw/zinc/02/88/56/521028856.db2.gz PZPFQWFGSAUWCA-UHFFFAOYSA-N 0 0 263.366 2.963 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)c3cnc[nH]3)cc2)CC1 ZINC000264460112 521041323 /nfs/dbraw/zinc/04/13/23/521041323.db2.gz GPUSWXFIGFRHEY-UHFFFAOYSA-N 0 0 298.390 2.576 20 10 CFCDRN CCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000263749866 521269229 /nfs/dbraw/zinc/26/92/29/521269229.db2.gz ILSNSIJNXCHLSB-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnc(C)c1 ZINC000276100415 521321496 /nfs/dbraw/zinc/32/14/96/521321496.db2.gz RODRQYMYKCABMP-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295064963 521440713 /nfs/dbraw/zinc/44/07/13/521440713.db2.gz AJIXPTVVRWJEBZ-UHFFFAOYSA-N 0 0 297.761 2.940 20 10 CFCDRN CCN(Cc1csnn1)Cc1ccc(N(C)C)cc1 ZINC000156847335 521445842 /nfs/dbraw/zinc/44/58/42/521445842.db2.gz OVPNZAQOLPKGLF-UHFFFAOYSA-N 0 0 276.409 2.626 20 10 CFCDRN CCCc1noc(COc2ccc(N(C)C)cc2)n1 ZINC000289495996 521587953 /nfs/dbraw/zinc/58/79/53/521587953.db2.gz ZMUYRRDECYFNOH-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN CCC(CC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278634245 521596027 /nfs/dbraw/zinc/59/60/27/521596027.db2.gz HFFUSVRTUPFXJQ-UHFFFAOYSA-N 0 0 268.313 2.587 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C ZINC000264494898 521688555 /nfs/dbraw/zinc/68/85/55/521688555.db2.gz FDMNBESWFWCWIQ-OCCSQVGLSA-N 0 0 276.380 2.970 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](CC)OC ZINC000290967257 521688742 /nfs/dbraw/zinc/68/87/42/521688742.db2.gz BHOJNZDLUHKHCC-AWEZNQCLSA-N 0 0 294.395 2.739 20 10 CFCDRN CCC1(CC)CN(C(=O)c2cccc(O)c2O)CCS1 ZINC000280560042 521689917 /nfs/dbraw/zinc/68/99/17/521689917.db2.gz UTYRCPKDQRPMFL-UHFFFAOYSA-N 0 0 295.404 2.846 20 10 CFCDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000187165921 521725598 /nfs/dbraw/zinc/72/55/98/521725598.db2.gz ZRNJXPBYMDBBSR-CMPLNLGQSA-N 0 0 281.377 2.502 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000278565075 521866624 /nfs/dbraw/zinc/86/66/24/521866624.db2.gz BSIXTVWUGJZHMP-UHFFFAOYSA-N 0 0 280.324 2.541 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278274863 521868058 /nfs/dbraw/zinc/86/80/58/521868058.db2.gz SFRPVRGHEHOKOA-GHMZBOCLSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278105115 521883131 /nfs/dbraw/zinc/88/31/31/521883131.db2.gz AFORITGTYSHJGK-JQWIXIFHSA-N 0 0 294.351 2.977 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2occc2C)c1 ZINC000293306495 522135529 /nfs/dbraw/zinc/13/55/29/522135529.db2.gz DWSTZAKCKZBGNJ-NSHDSACASA-N 0 0 289.331 2.931 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)CC3CC3)C2)cc1 ZINC000378537471 522155298 /nfs/dbraw/zinc/15/52/98/522155298.db2.gz DWYVSACSLCKENP-UHFFFAOYSA-N 0 0 270.376 2.778 20 10 CFCDRN CN(C)c1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC000299594777 522160439 /nfs/dbraw/zinc/16/04/39/522160439.db2.gz UHXUJMLQZAXDJL-UHFFFAOYSA-N 0 0 298.386 2.707 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2[C@@H]3CCCC[C@H]23)cc1 ZINC000073403289 522185552 /nfs/dbraw/zinc/18/55/52/522185552.db2.gz USTNLTUHBGBRFS-XYPWUTKMSA-N 0 0 272.392 2.805 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC(F)(F)F)cc1F ZINC000079811181 522188600 /nfs/dbraw/zinc/18/86/00/522188600.db2.gz DFVCSCKQQUXNMX-UHFFFAOYSA-N 0 0 292.276 2.850 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCCn2cccc2)cc1 ZINC000158639429 522189390 /nfs/dbraw/zinc/18/93/90/522189390.db2.gz LVMPEOVSFBLYMW-UHFFFAOYSA-N 0 0 285.391 2.651 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC=CCC2)cc1F ZINC000077575335 522199200 /nfs/dbraw/zinc/19/92/00/522199200.db2.gz UFNJWZVNMFEFCI-ZDUSSCGKSA-N 0 0 291.370 2.800 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC2(C)C)cc1F ZINC000119564341 522203028 /nfs/dbraw/zinc/20/30/28/522203028.db2.gz XNOOOWRPOYQAIT-LLVKDONJSA-N 0 0 264.344 2.554 20 10 CFCDRN CN(C)c1ccc(CNc2nnc(C(F)F)o2)cc1F ZINC000276395731 522215133 /nfs/dbraw/zinc/21/51/33/522215133.db2.gz SOUOSAPPAZNGKC-UHFFFAOYSA-N 0 0 286.257 2.824 20 10 CFCDRN CN(C)c1ccc(OCc2cc(-c3cnn(C)c3)no2)cc1 ZINC000289410376 522237758 /nfs/dbraw/zinc/23/77/58/522237758.db2.gz PGSVOZDLLPBWSX-UHFFFAOYSA-N 0 0 298.346 2.720 20 10 CFCDRN CN(C)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000272497417 522340245 /nfs/dbraw/zinc/34/02/45/522340245.db2.gz GDNTUBRNPDNOCT-UHFFFAOYSA-N 0 0 291.376 2.574 20 10 CFCDRN COC(=O)c1cnc(SCCC2CCOCC2)s1 ZINC000295154337 522341439 /nfs/dbraw/zinc/34/14/39/522341439.db2.gz FSBNBNRMZPTQJJ-UHFFFAOYSA-N 0 0 287.406 2.839 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180976006 522351401 /nfs/dbraw/zinc/35/14/01/522351401.db2.gz SMACGFZTTJKCKA-QISKZBHPSA-N 0 0 263.337 2.662 20 10 CFCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccncc1 ZINC000182497288 522530949 /nfs/dbraw/zinc/53/09/49/522530949.db2.gz RIJCEPIBIGEXPJ-ZDUSSCGKSA-N 0 0 286.331 2.682 20 10 CFCDRN CC[C@H]([NH2+]CCCCCO)c1ccc(F)cc1[O-] ZINC000287493338 522580849 /nfs/dbraw/zinc/58/08/49/522580849.db2.gz NLBXIGLIKWXVJM-ZDUSSCGKSA-N 0 0 255.333 2.735 20 10 CFCDRN CN(CC1CCC(=O)CC1)c1ccc2c(c1)OCO2 ZINC000258853038 522633805 /nfs/dbraw/zinc/63/38/05/522633805.db2.gz GFDCYBCLXVBSAO-UHFFFAOYSA-N 0 0 261.321 2.611 20 10 CFCDRN CCc1nnc(CNCc2ccc(OC)c(C)c2)s1 ZINC000289679023 522739888 /nfs/dbraw/zinc/73/98/88/522739888.db2.gz CJADLKPMOHFSHG-UHFFFAOYSA-N 0 0 277.393 2.707 20 10 CFCDRN CCc1nnc(CNCc2c(O)cccc2Cl)s1 ZINC000289678961 522740385 /nfs/dbraw/zinc/74/03/85/522740385.db2.gz CGPSNZVJCQDZAR-UHFFFAOYSA-N 0 0 283.784 2.749 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285989035 522844222 /nfs/dbraw/zinc/84/42/22/522844222.db2.gz HZXQZVVAPMJAJF-CQSZACIVSA-N 0 0 277.343 2.548 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000279955294 523033537 /nfs/dbraw/zinc/03/35/37/523033537.db2.gz PICPGAFFDXLMSP-KBPBESRZSA-N 0 0 291.391 2.973 20 10 CFCDRN COCc1nc(CNCc2ccc(OC)c(C)c2)cs1 ZINC000266221505 523201932 /nfs/dbraw/zinc/20/19/32/523201932.db2.gz RLNISXLEGUYNQD-UHFFFAOYSA-N 0 0 292.404 2.896 20 10 CFCDRN COCc1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC000291689730 523202990 /nfs/dbraw/zinc/20/29/90/523202990.db2.gz XYTLVBZRKOOGSL-UHFFFAOYSA-N 0 0 298.795 2.938 20 10 CFCDRN CC[C@@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000291972498 523334578 /nfs/dbraw/zinc/33/45/78/523334578.db2.gz WEKRCSQPGNYSHS-OAHLLOKOSA-N 0 0 287.407 2.763 20 10 CFCDRN CC[C@@H]1CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000292216978 523342452 /nfs/dbraw/zinc/34/24/52/523342452.db2.gz HUMXVHXWZIHAFW-HOSRBBHYSA-N 0 0 290.319 2.770 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000171230838 523380424 /nfs/dbraw/zinc/38/04/24/523380424.db2.gz WZGHZILVTRCAHB-GUTXKFCHSA-N 0 0 288.391 2.970 20 10 CFCDRN COC(=O)[C@@H](CC(C)C)N[C@H](C)c1cc(OC)ccc1O ZINC000036980811 523569555 /nfs/dbraw/zinc/56/95/55/523569555.db2.gz GPZOZABKGOEVMV-BXUZGUMPSA-N 0 0 295.379 2.639 20 10 CFCDRN CC[C@@]1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237066787 523706151 /nfs/dbraw/zinc/70/61/51/523706151.db2.gz RFOPKIHETGDPQY-INIZCTEOSA-N 0 0 260.381 2.850 20 10 CFCDRN COc1ccc(C(=O)Nc2ccc(N)cc2)cc1F ZINC000059974177 523750972 /nfs/dbraw/zinc/75/09/72/523750972.db2.gz UUQDQRHANXADPJ-UHFFFAOYSA-N 0 0 260.268 2.669 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3cccnc3F)ccc21 ZINC000279162894 523861915 /nfs/dbraw/zinc/86/19/15/523861915.db2.gz IKGQZMAPQWQNCD-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccccc3N)ccc21 ZINC000237129369 523862039 /nfs/dbraw/zinc/86/20/39/523862039.db2.gz NTQYCHHAMKYXJZ-UHFFFAOYSA-N 0 0 295.386 2.581 20 10 CFCDRN CO[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000189115151 523884711 /nfs/dbraw/zinc/88/47/11/523884711.db2.gz YUWHKLUDKLHWCI-CYBMUJFWSA-N 0 0 286.375 2.859 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1ccccn1 ZINC000288203717 524117504 /nfs/dbraw/zinc/11/75/04/524117504.db2.gz MLXDOXHHLSKIJL-JTQLQIEISA-N 0 0 275.327 2.577 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCOC1 ZINC000294481872 524219173 /nfs/dbraw/zinc/21/91/73/524219173.db2.gz RPHITUKGTWLDDB-UHFFFAOYSA-N 0 0 290.388 2.976 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180634611 524301591 /nfs/dbraw/zinc/30/15/91/524301591.db2.gz LWAKELYQXCWSFU-CFLAWFISSA-N 0 0 275.348 2.806 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)o2)cc1Cl ZINC000121983534 524355376 /nfs/dbraw/zinc/35/53/76/524355376.db2.gz ZXAFTCLGDRKWSS-UHFFFAOYSA-N 0 0 267.716 2.676 20 10 CFCDRN COc1ccc(N(C)Cc2cncc(OC)c2)c(OC)c1 ZINC000290036585 524355950 /nfs/dbraw/zinc/35/59/50/524355950.db2.gz ULUZFIOIJDOJAI-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN COc1ccc(N(Cc2noc(C)n2)C(C)C)cc1F ZINC000101567479 524370956 /nfs/dbraw/zinc/37/09/56/524370956.db2.gz ZQGZAEGENIKCTF-UHFFFAOYSA-N 0 0 279.315 2.941 20 10 CFCDRN Cc1cccc(CN(C)Cc2nncn2C(C)C)c1O ZINC000292852358 524378917 /nfs/dbraw/zinc/37/89/17/524378917.db2.gz UJOKRVWTCCCGJZ-UHFFFAOYSA-N 0 0 274.368 2.505 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(C)C ZINC000274962801 524696269 /nfs/dbraw/zinc/69/62/69/524696269.db2.gz UIMPHWVYDLYWTP-LLVKDONJSA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289972917 524726034 /nfs/dbraw/zinc/72/60/34/524726034.db2.gz ZMUAEYBAUMSUBD-WDEREUQCSA-N 0 0 269.772 2.808 20 10 CFCDRN COc1ccc(O)c(CN[C@H](C2CC2)C(F)(F)F)c1 ZINC000290055105 524754586 /nfs/dbraw/zinc/75/45/86/524754586.db2.gz DXDROMSREVXTBW-GFCCVEGCSA-N 0 0 275.270 2.831 20 10 CFCDRN COc1ccc(O)c(CNc2ncnc3c2CCCC3)c1 ZINC000152947828 524758049 /nfs/dbraw/zinc/75/80/49/524758049.db2.gz FCJIGMHYEYGUAO-UHFFFAOYSA-N 0 0 285.347 2.682 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ncccc2[N+](=O)[O-])c1 ZINC000301193215 524775645 /nfs/dbraw/zinc/77/56/45/524775645.db2.gz MPYWEBPLHISPLE-VIFPVBQESA-N 0 0 289.291 2.877 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n(C)n1 ZINC000284057208 524777310 /nfs/dbraw/zinc/77/73/10/524777310.db2.gz AFTNOAWSBFRPOY-SECBINFHSA-N 0 0 281.306 2.563 20 10 CFCDRN COc1ccnc(NCCCSc2nccs2)n1 ZINC000301281234 524848768 /nfs/dbraw/zinc/84/87/68/524848768.db2.gz MPDUTORCHPZREA-UHFFFAOYSA-N 0 0 282.394 2.536 20 10 CFCDRN COc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302370200 524851734 /nfs/dbraw/zinc/85/17/34/524851734.db2.gz GPIKKULAHZEYTI-LLVKDONJSA-N 0 0 272.352 2.724 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncncc1Cl ZINC000302784609 524893184 /nfs/dbraw/zinc/89/31/84/524893184.db2.gz UTNLCRTURQOVTD-QMMMGPOBSA-N 0 0 279.727 2.584 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC(C)(C)C)cc1C ZINC000158043574 525323335 /nfs/dbraw/zinc/32/33/35/525323335.db2.gz IYTIVIPRTNYNRQ-LBPRGKRZSA-N 0 0 279.380 2.829 20 10 CFCDRN CSCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174514079 525375594 /nfs/dbraw/zinc/37/55/94/525375594.db2.gz FFAFSHUBJTWPCG-UHFFFAOYSA-N 0 0 279.405 2.640 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000185368669 525403876 /nfs/dbraw/zinc/40/38/76/525403876.db2.gz UDNMNUKLAYQSRO-QWRGUYRKSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1nnc2ccccn21 ZINC000043288559 525530829 /nfs/dbraw/zinc/53/08/29/525530829.db2.gz WMUNJHBFHIBFCR-GFCCVEGCSA-N 0 0 294.358 2.515 20 10 CFCDRN C[C@@H]([NH2+]Cc1nccs1)c1ccc(F)cc1[O-] ZINC000062748087 525563913 /nfs/dbraw/zinc/56/39/13/525563913.db2.gz HKEUEROQRIYSMH-MRVPVSSYSA-N 0 0 252.314 2.839 20 10 CFCDRN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(N)cc1)C2 ZINC000237897987 525597040 /nfs/dbraw/zinc/59/70/40/525597040.db2.gz XQSXMGRGTUGNLH-INIZCTEOSA-N 0 0 282.343 2.828 20 10 CFCDRN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ncn(C)n1 ZINC000275810442 525604813 /nfs/dbraw/zinc/60/48/13/525604813.db2.gz ZLOJHAMKOCXWOS-DTWKUNHWSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361904 525690284 /nfs/dbraw/zinc/69/02/84/525690284.db2.gz AOPQCMBPLHFANL-IJLUTSLNSA-N 0 0 294.351 2.502 20 10 CFCDRN Cc1ccnc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000266229674 525696319 /nfs/dbraw/zinc/69/63/19/525696319.db2.gz JFVTZTFKYOKVQH-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000265398891 525835068 /nfs/dbraw/zinc/83/50/68/525835068.db2.gz VKZAJLSVBUBHFH-QWHCGFSZSA-N 0 0 294.420 2.866 20 10 CFCDRN CS[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000156391791 525860523 /nfs/dbraw/zinc/86/05/23/525860523.db2.gz YBIRSPBKZWMBMO-GFCCVEGCSA-N 0 0 280.437 2.853 20 10 CFCDRN C[C@@H](O)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000290519805 525883977 /nfs/dbraw/zinc/88/39/77/525883977.db2.gz XMVAWMYIGZPOSD-SECBINFHSA-N 0 0 292.360 2.562 20 10 CFCDRN Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000062747621 525924548 /nfs/dbraw/zinc/92/45/48/525924548.db2.gz IJOYCFFOAMLDJD-ZJUUUORDSA-N 0 0 277.343 2.985 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)c1O ZINC000073440314 525990725 /nfs/dbraw/zinc/99/07/25/525990725.db2.gz FKODSEDSVFAUMN-AAEUAGOBSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNc2noc(C(C)(C)C)n2)c1O ZINC000302129989 526046046 /nfs/dbraw/zinc/04/60/46/526046046.db2.gz JUQUOCDBWKVFTP-UHFFFAOYSA-N 0 0 277.324 2.693 20 10 CFCDRN Cc1cnccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000274616741 526218918 /nfs/dbraw/zinc/21/89/18/526218918.db2.gz RXUDLCSRAFDTLJ-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)o1 ZINC000048606743 526223788 /nfs/dbraw/zinc/22/37/88/526223788.db2.gz YBDXIHROQFDSRX-UHFFFAOYSA-N 0 0 259.305 2.874 20 10 CFCDRN Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccccc1 ZINC000160388159 526224169 /nfs/dbraw/zinc/22/41/69/526224169.db2.gz ZGLCRCKGHXGNAC-ZDUSSCGKSA-N 0 0 286.375 2.547 20 10 CFCDRN C[C@@H]1CC/C(=C\C(=O)NCCc2ccc(N)cc2)C1 ZINC000269145249 526231357 /nfs/dbraw/zinc/23/13/57/526231357.db2.gz CJKLEZNKUCNCQN-SLQMCABGSA-N 0 0 258.365 2.674 20 10 CFCDRN Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000265431914 526267510 /nfs/dbraw/zinc/26/75/10/526267510.db2.gz GNUQEAYPNGCEGZ-CYBMUJFWSA-N 0 0 286.375 2.595 20 10 CFCDRN Cc1nnc(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000289618787 526330122 /nfs/dbraw/zinc/33/01/22/526330122.db2.gz DKUGWOAYEWSRLM-ZETCQYMHSA-N 0 0 299.346 2.724 20 10 CFCDRN Cc1csc(CNCc2ccc3c(c2)CCN3C)n1 ZINC000050286761 526358072 /nfs/dbraw/zinc/35/80/72/526358072.db2.gz SXPCCWQUXFDJNW-UHFFFAOYSA-N 0 0 273.405 2.734 20 10 CFCDRN Cc1nnc(NCc2c(C)c3ccccc3n2C)o1 ZINC000279158729 526371634 /nfs/dbraw/zinc/37/16/34/526371634.db2.gz DMBSUQSDLARYTJ-UHFFFAOYSA-N 0 0 256.309 2.790 20 10 CFCDRN Fc1cncc(C2=CCN(c3ncnc4[nH]ccc43)CC2)c1 ZINC000363662667 526422783 /nfs/dbraw/zinc/42/27/83/526422783.db2.gz BYHPFUPAEDUQCR-UHFFFAOYSA-N 0 0 295.321 2.786 20 10 CFCDRN Cc1nc(C(C)(C)NCc2cc(C)c(C)cc2O)no1 ZINC000264431856 526664760 /nfs/dbraw/zinc/66/47/60/526664760.db2.gz WGNTWMNUTWYFHX-UHFFFAOYSA-N 0 0 275.352 2.725 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1C1CCC1 ZINC000193016578 526771821 /nfs/dbraw/zinc/77/18/21/526771821.db2.gz DPGAISUXKINJSP-LBPRGKRZSA-N 0 0 261.321 2.503 20 10 CFCDRN O=[N+]([O-])c1cccnc1NCc1ccc(N2CC=CC2)cc1 ZINC000301378129 527406680 /nfs/dbraw/zinc/40/66/80/527406680.db2.gz XBPQZNSUJGPWEB-UHFFFAOYSA-N 0 0 296.330 2.978 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@H]2c2ccccc2F)cc1 ZINC000370774526 527477018 /nfs/dbraw/zinc/47/70/18/527477018.db2.gz RUGCKAQZNGTUPT-INIZCTEOSA-N 0 0 284.334 2.924 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(CCO)CCCC1 ZINC000289312336 527533571 /nfs/dbraw/zinc/53/35/71/527533571.db2.gz DVBVFSJULUZOCU-UHFFFAOYSA-N 0 0 269.772 2.830 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC=CCC1 ZINC000935309497 649896347 /nfs/dbraw/zinc/89/63/47/649896347.db2.gz CIYYUNBUMHWKKF-STQMWFEESA-N 0 0 289.375 2.891 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC(F)(F)C2)c1 ZINC000754013931 574063670 /nfs/dbraw/zinc/06/36/70/574063670.db2.gz JRZUHKVPDQVLNH-MRVPVSSYSA-N 0 0 285.290 2.623 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnccn2)cc1 ZINC000728220199 574086912 /nfs/dbraw/zinc/08/69/12/574086912.db2.gz WKTZFCKCPBBJBI-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCCCO ZINC000744884333 574092201 /nfs/dbraw/zinc/09/22/01/574092201.db2.gz HQWKDLCMSINBEH-UHFFFAOYSA-N 0 0 287.359 2.942 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)OC)cc1 ZINC000730743333 574094688 /nfs/dbraw/zinc/09/46/88/574094688.db2.gz MGNNVFHRWNGFIR-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN COC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000730774943 574096424 /nfs/dbraw/zinc/09/64/24/574096424.db2.gz NEGDTLLNYVDJQB-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCC1OCCCO1 ZINC000754642401 574110329 /nfs/dbraw/zinc/11/03/29/574110329.db2.gz JYWRLWWRBFBNLW-UHFFFAOYSA-N 0 0 277.364 2.601 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCOCC1 ZINC000745415104 574113015 /nfs/dbraw/zinc/11/30/15/574113015.db2.gz GPOVARMQSGTFGT-UHFFFAOYSA-N 0 0 298.386 2.875 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756598498 574127331 /nfs/dbraw/zinc/12/73/31/574127331.db2.gz TZNXCMRHIMTVNH-TVQRCGJNSA-N 0 0 273.323 2.992 20 10 CFCDRN Cn1cc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cn1 ZINC000731794850 574129298 /nfs/dbraw/zinc/12/92/98/574129298.db2.gz SCYXXMVXNJGDDW-UHFFFAOYSA-N 0 0 291.314 2.928 20 10 CFCDRN O=C(NCCc1c(F)cccc1F)C1=CC(=O)CS1 ZINC000731870626 574131304 /nfs/dbraw/zinc/13/13/04/574131304.db2.gz LESUFHCJCXZEIJ-UHFFFAOYSA-N 0 0 283.299 2.704 20 10 CFCDRN CN(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000731865332 574131387 /nfs/dbraw/zinc/13/13/87/574131387.db2.gz BIFIFRHAJWFPNE-SNVBAGLBSA-N 0 0 296.417 2.548 20 10 CFCDRN CCOCc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000731868700 574132640 /nfs/dbraw/zinc/13/26/40/574132640.db2.gz PYPQYMMVJFCTPI-UHFFFAOYSA-N 0 0 291.372 2.920 20 10 CFCDRN CC[C@H](C)NC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740628448 574134976 /nfs/dbraw/zinc/13/49/76/574134976.db2.gz FELFWIIUDKXJBF-ZDUSSCGKSA-N 0 0 289.448 2.825 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)nc2)c1 ZINC000728979038 574143365 /nfs/dbraw/zinc/14/33/65/574143365.db2.gz BSXPVBUYMTWIIB-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN Cn1cccc1[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000732267365 574147825 /nfs/dbraw/zinc/14/78/25/574147825.db2.gz ZGGXXHIZVCEMFE-LBPRGKRZSA-N 0 0 276.361 2.770 20 10 CFCDRN CCc1ccc(O)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000746410926 574148132 /nfs/dbraw/zinc/14/81/32/574148132.db2.gz ARIGPTKFYKPSMR-UHFFFAOYSA-N 0 0 263.318 2.974 20 10 CFCDRN O=C(N[C@H]1CCOc2ccc(F)cc21)C1=CC(=O)CS1 ZINC000732291340 574150530 /nfs/dbraw/zinc/15/05/30/574150530.db2.gz VUQWOXZLIAVJPY-NSHDSACASA-N 0 0 293.319 2.846 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2ccco2)C1 ZINC000732291685 574150690 /nfs/dbraw/zinc/15/06/90/574150690.db2.gz KVEVPCSCAZIDAG-VIFPVBQESA-N 0 0 263.318 2.676 20 10 CFCDRN COc1ccc(OCCOC(=O)C2=CC(=O)CS2)cc1 ZINC000732352594 574153032 /nfs/dbraw/zinc/15/30/32/574153032.db2.gz AASKGXNJIZNWFL-UHFFFAOYSA-N 0 0 294.328 2.698 20 10 CFCDRN COc1ccccc1COC(=O)C1=CC(=O)CS1 ZINC000732353903 574153064 /nfs/dbraw/zinc/15/30/64/574153064.db2.gz CXJUGSAKNRMQGA-UHFFFAOYSA-N 0 0 264.302 2.819 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)CC2)c1 ZINC000752020890 574154272 /nfs/dbraw/zinc/15/42/72/574154272.db2.gz VBRHPENJEIGBGI-JTQLQIEISA-N 0 0 278.352 2.561 20 10 CFCDRN CCC[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746718572 574164069 /nfs/dbraw/zinc/16/40/69/574164069.db2.gz JGIMEIMVTKXBGW-NSHDSACASA-N 0 0 281.375 2.880 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C2CC2)c1 ZINC000729052262 574166114 /nfs/dbraw/zinc/16/61/14/574166114.db2.gz VYNJOGBPKGRTLN-MNOVXSKESA-N 0 0 292.379 2.807 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1nccs1 ZINC000738545869 574172908 /nfs/dbraw/zinc/17/29/08/574172908.db2.gz SHXCMBZGGUYDSQ-QMMMGPOBSA-N 0 0 268.363 2.791 20 10 CFCDRN CC(C)n1cc([C@@H](C)NC(=O)C2=CC(=O)CS2)cn1 ZINC000732835180 574174806 /nfs/dbraw/zinc/17/48/06/574174806.db2.gz HTYZEAXCEWTXDH-SECBINFHSA-N 0 0 279.365 2.722 20 10 CFCDRN CSc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cc1 ZINC000732940710 574179611 /nfs/dbraw/zinc/17/96/11/574179611.db2.gz XZODAGCJUFTGOL-WTKPLQERSA-N 0 0 287.388 2.818 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC1CCOCC1 ZINC000732981566 574180954 /nfs/dbraw/zinc/18/09/54/574180954.db2.gz CFMUAUHQHMSETN-UHFFFAOYSA-N 0 0 261.365 2.874 20 10 CFCDRN COc1ccc(N(CC(=O)N2CCCC2)CC(C)C)cc1 ZINC000747681638 574206597 /nfs/dbraw/zinc/20/65/97/574206597.db2.gz DTQBCZPXVPCQSR-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C1CC1 ZINC000747878939 574217656 /nfs/dbraw/zinc/21/76/56/574217656.db2.gz MKOFPGHOBACHQR-GFCCVEGCSA-N 0 0 260.381 2.723 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)C[C@H](C)O2 ZINC000747890665 574218158 /nfs/dbraw/zinc/21/81/58/574218158.db2.gz BGWWGTRHJXBWAX-VGVVRCBHSA-N 0 0 297.358 2.556 20 10 CFCDRN C[C@@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756298829 574222914 /nfs/dbraw/zinc/22/29/14/574222914.db2.gz GBFISPKQGLARLH-STQMWFEESA-N 0 0 291.391 2.991 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnc(C2CC2)s1 ZINC000729529798 574222866 /nfs/dbraw/zinc/22/28/66/574222866.db2.gz JHLOHCKLWZZBGZ-UHFFFAOYSA-N 0 0 274.345 2.656 20 10 CFCDRN Cc1cc(O)c(CN2CCOC[C@H]2C(F)(F)F)cc1C ZINC000739869768 574226879 /nfs/dbraw/zinc/22/68/79/574226879.db2.gz RJRJIAFPXZZLPB-ZDUSSCGKSA-N 0 0 289.297 2.772 20 10 CFCDRN CN(C)c1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC000729655926 574226899 /nfs/dbraw/zinc/22/68/99/574226899.db2.gz HHHDJXWMJGIBFT-WTKPLQERSA-N 0 0 299.349 2.963 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756345118 574226952 /nfs/dbraw/zinc/22/69/52/574226952.db2.gz VUHGZEXPFKFZFE-SNVBAGLBSA-N 0 0 273.292 2.546 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356654 574228831 /nfs/dbraw/zinc/22/88/31/574228831.db2.gz HONOQDPHXWBNAW-JQWIXIFHSA-N 0 0 284.350 2.805 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000748098854 574229111 /nfs/dbraw/zinc/22/91/11/574229111.db2.gz PSGXTKNLYQYZON-UHFFFAOYSA-N 0 0 295.726 2.582 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC2CCCC2)cc1C ZINC000748099158 574229477 /nfs/dbraw/zinc/22/94/77/574229477.db2.gz GCPFGXPEKMDGQA-ZDUSSCGKSA-N 0 0 291.391 2.973 20 10 CFCDRN O=C([O-])[C@@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756385157 574231765 /nfs/dbraw/zinc/23/17/65/574231765.db2.gz CSSIPAUHKTWAFE-OAHLLOKOSA-N 0 0 289.375 2.745 20 10 CFCDRN C[C@H]([NH2+]CCc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756396989 574233426 /nfs/dbraw/zinc/23/34/26/574233426.db2.gz RGUHRJOOWHDFJT-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN Cc1nc(COC(=O)c2ccc(C)c(O)c2O)sc1C ZINC000756397793 574233600 /nfs/dbraw/zinc/23/36/00/574233600.db2.gz UBVFVSWLEYYTIM-UHFFFAOYSA-N 0 0 293.344 2.837 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756399523 574233959 /nfs/dbraw/zinc/23/39/59/574233959.db2.gz QOJFGKZLRRSDPT-GXSJLCMTSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756441126 574237442 /nfs/dbraw/zinc/23/74/42/574237442.db2.gz ISXKMAXGMIFEJZ-NXEZZACHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000756483886 574240598 /nfs/dbraw/zinc/24/05/98/574240598.db2.gz YYJOXTGLJZEAQV-VHSXEESVSA-N 0 0 264.325 2.997 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000756483885 574240727 /nfs/dbraw/zinc/24/07/27/574240727.db2.gz YYJOXTGLJZEAQV-UWVGGRQHSA-N 0 0 264.325 2.997 20 10 CFCDRN C[C@H]([NH2+]Cc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507829 574242078 /nfs/dbraw/zinc/24/20/78/574242078.db2.gz GAPNWNGBDDFCPF-QMMMGPOBSA-N 0 0 279.321 2.608 20 10 CFCDRN Cc1ccc(C(=O)OCc2ncc(C(C)C)o2)c(O)c1O ZINC000733476895 574242667 /nfs/dbraw/zinc/24/26/67/574242667.db2.gz UGLOKSKMZWKQRI-UHFFFAOYSA-N 0 0 291.303 2.875 20 10 CFCDRN CCc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000756571519 574248647 /nfs/dbraw/zinc/24/86/47/574248647.db2.gz FVNCTRKJUMIQQZ-SECBINFHSA-N 0 0 263.316 2.668 20 10 CFCDRN O=C(CCC(=O)c1cccs1)NCc1ccccc1O ZINC000748353711 574249095 /nfs/dbraw/zinc/24/90/95/574249095.db2.gz CVSZSJGHBYJMHM-UHFFFAOYSA-N 0 0 289.356 2.733 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756597883 574251218 /nfs/dbraw/zinc/25/12/18/574251218.db2.gz QPQIEUHQYYUWEY-GWCFXTLKSA-N 0 0 282.340 2.622 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000756611051 574252034 /nfs/dbraw/zinc/25/20/34/574252034.db2.gz JBRMHJGXWDXIBL-KXUCPTDWSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756627409 574253295 /nfs/dbraw/zinc/25/32/95/574253295.db2.gz IEVVIVPRIWOXNA-QWRGUYRKSA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@H]1C[C@H](NCc2ccon2)c2c1c(F)ccc2O ZINC000756635506 574254065 /nfs/dbraw/zinc/25/40/65/574254065.db2.gz GBXJQIGDSLDTEM-KWQFWETISA-N 0 0 262.284 2.857 20 10 CFCDRN CC(C)(C)CCNC(=O)NCc1ccccc1O ZINC000748459344 574254132 /nfs/dbraw/zinc/25/41/32/574254132.db2.gz FYUOHTPLFWXBDY-UHFFFAOYSA-N 0 0 250.342 2.628 20 10 CFCDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756636214 574254215 /nfs/dbraw/zinc/25/42/15/574254215.db2.gz VVKDBJULBOFLKQ-NLTNOIMHSA-N 0 0 294.351 2.645 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756639552 574254401 /nfs/dbraw/zinc/25/44/01/574254401.db2.gz ARXWQAJVUVUNJH-JBLDHEPKSA-N 0 0 296.361 2.946 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCS2)c1 ZINC000756650653 574255132 /nfs/dbraw/zinc/25/51/32/574255132.db2.gz OAZFUKMRZHRHBN-CMPLNLGQSA-N 0 0 295.404 2.725 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(F)cc(F)c1[O-] ZINC000756648086 574255429 /nfs/dbraw/zinc/25/54/29/574255429.db2.gz YHHGMKRIQSDNMV-CKYFFXLPSA-N 0 0 285.334 2.872 20 10 CFCDRN CN(CC(F)(F)C(F)F)c1ccc2c(c1)OCO2 ZINC000756654608 574256000 /nfs/dbraw/zinc/25/60/00/574256000.db2.gz JMZUFQJFJNLZMH-UHFFFAOYSA-N 0 0 265.206 2.752 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756660645 574256568 /nfs/dbraw/zinc/25/65/68/574256568.db2.gz OCIQNOGZSRMEQA-NKWVEPMBSA-N 0 0 291.178 2.614 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756763967 574260954 /nfs/dbraw/zinc/26/09/54/574260954.db2.gz CDYBGQMBXPRFEE-WCBMZHEXSA-N 0 0 295.333 2.984 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756763968 574261284 /nfs/dbraw/zinc/26/12/84/574261284.db2.gz CDYBGQMBXPRFEE-WPRPVWTQSA-N 0 0 295.333 2.984 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780455 574262424 /nfs/dbraw/zinc/26/24/24/574262424.db2.gz UMUAIPYSBJTLKA-WRWGMCAJSA-N 0 0 294.351 2.907 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000740740609 574265321 /nfs/dbraw/zinc/26/53/21/574265321.db2.gz XJDAQHQUKTZNRJ-QGZVFWFLSA-N 0 0 280.371 2.709 20 10 CFCDRN C[C@H]1C[C@H](NCc2cocn2)c2c1c(F)ccc2O ZINC000756829782 574266243 /nfs/dbraw/zinc/26/62/43/574266243.db2.gz BUWXNLAKTVCURM-KWQFWETISA-N 0 0 262.284 2.857 20 10 CFCDRN COC1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000733966312 574267610 /nfs/dbraw/zinc/26/76/10/574267610.db2.gz VSWQBUYCDQCNDE-UHFFFAOYSA-N 0 0 298.386 2.873 20 10 CFCDRN COc1ccc(O)c(CNc2cnc3ccccc3n2)c1 ZINC000733995025 574268049 /nfs/dbraw/zinc/26/80/49/574268049.db2.gz WKJPKOLDRGIQGZ-UHFFFAOYSA-N 0 0 281.315 2.956 20 10 CFCDRN COc1ccc(N[C@@H](C)c2cc(OC)ccc2O)nc1 ZINC000756846736 574268176 /nfs/dbraw/zinc/26/81/76/574268176.db2.gz YGAFPYICAIPTNR-JTQLQIEISA-N 0 0 274.320 2.978 20 10 CFCDRN Cc1c(N[C@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC000756875219 574270241 /nfs/dbraw/zinc/27/02/41/574270241.db2.gz ULVBHUFLQSXJQA-SSDOTTSWSA-N 0 0 267.279 2.885 20 10 CFCDRN CCCCSCC(=O)NCc1cc(OC)ccc1O ZINC000734017569 574270543 /nfs/dbraw/zinc/27/05/43/574270543.db2.gz NVOJYSNLCAEPNE-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCC2CCCCC2)c1 ZINC000734063825 574272703 /nfs/dbraw/zinc/27/27/03/574272703.db2.gz OWAJPBYJPVDWQP-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN O=C(NC[C@@H](O)c1ccccc1Cl)C1=CC(=O)CS1 ZINC000740929044 574274543 /nfs/dbraw/zinc/27/45/43/574274543.db2.gz OIMGCFQOOQSMHO-LLVKDONJSA-N 0 0 297.763 2.571 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccnc1 ZINC000734403076 574285492 /nfs/dbraw/zinc/28/54/92/574285492.db2.gz UYRLMWFNOVHRML-TWGQIWQCSA-N 0 0 295.386 2.786 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000741526771 574295117 /nfs/dbraw/zinc/29/51/17/574295117.db2.gz ZACYOJIFUOYCSE-GFCCVEGCSA-N 0 0 272.348 2.766 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccccc2CC1 ZINC000734864886 574305699 /nfs/dbraw/zinc/30/56/99/574305699.db2.gz LTFCYNNHOQSUJK-UHFFFAOYSA-N 0 0 273.357 2.695 20 10 CFCDRN COCCN(Cc1c(O)ccc2ccncc21)CC(F)F ZINC000725785589 574308024 /nfs/dbraw/zinc/30/80/24/574308024.db2.gz UHHWCMIYTLBNII-UHFFFAOYSA-N 0 0 296.317 2.654 20 10 CFCDRN CC[C@@H](C)NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000749769428 574308761 /nfs/dbraw/zinc/30/87/61/574308761.db2.gz PXXDUNYGUVLOKX-SNVBAGLBSA-N 0 0 283.416 2.654 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccn(C(C)C)n2)c(O)c1O ZINC000735137749 574313536 /nfs/dbraw/zinc/31/35/36/574313536.db2.gz QRTCDXVGJXNCMC-UHFFFAOYSA-N 0 0 290.319 2.541 20 10 CFCDRN O=C(NC[C@@H]1CCc2ccccc2C1)C1=CC(=O)CS1 ZINC000735326103 574320890 /nfs/dbraw/zinc/32/08/90/574320890.db2.gz DCSWNZXIAZCOOW-LLVKDONJSA-N 0 0 287.384 2.989 20 10 CFCDRN COc1cc(C)nc(NCc2ccc(N(C)C)cc2C)n1 ZINC000735487130 574326740 /nfs/dbraw/zinc/32/67/40/574326740.db2.gz DSKSSGQIAUOURD-UHFFFAOYSA-N 0 0 286.379 2.780 20 10 CFCDRN CCCN(C(=O)/C=C/c1cccnc1)c1cccnc1 ZINC000750129544 574326888 /nfs/dbraw/zinc/32/68/88/574326888.db2.gz UWSQLBBFGCAWDB-BQYQJAHWSA-N 0 0 267.332 2.933 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccnc(C)n2)c1 ZINC000742402474 574327878 /nfs/dbraw/zinc/32/78/78/574327878.db2.gz QANWEIDAAKZOPQ-SECBINFHSA-N 0 0 259.309 2.672 20 10 CFCDRN O=C(/C=C\C1CC1)NCCCSc1nccs1 ZINC000742668994 574338373 /nfs/dbraw/zinc/33/83/73/574338373.db2.gz HJGVFQKLYZPDQS-PLNGDYQASA-N 0 0 268.407 2.708 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\C1CC1 ZINC000742683382 574339261 /nfs/dbraw/zinc/33/92/61/574339261.db2.gz OCFIEDJQFJWHFX-TWGQIWQCSA-N 0 0 258.365 2.643 20 10 CFCDRN CCSCCN(C)c1ccc(OC)c(OC)c1 ZINC000735919147 574342990 /nfs/dbraw/zinc/34/29/90/574342990.db2.gz BAXRDQATPHZDSO-UHFFFAOYSA-N 0 0 255.383 2.893 20 10 CFCDRN C/C=C/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952540 574348292 /nfs/dbraw/zinc/34/82/92/574348292.db2.gz LIKOUGYLBWBPFD-DEQVHDEQSA-N 0 0 272.348 2.610 20 10 CFCDRN Cn1cccc1CNC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000743060746 574352896 /nfs/dbraw/zinc/35/28/96/574352896.db2.gz AFNGOUKFEUMRDU-OAHLLOKOSA-N 0 0 299.443 2.547 20 10 CFCDRN C[C@@H](NC(=S)NCc1cccn1C)c1ccccc1 ZINC000743062225 574352935 /nfs/dbraw/zinc/35/29/35/574352935.db2.gz WBWNRHRKBYXNDC-GFCCVEGCSA-N 0 0 273.405 2.750 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]1CCOC1 ZINC000750820367 574357298 /nfs/dbraw/zinc/35/72/98/574357298.db2.gz PRLRGKCLFRSVAD-GFCCVEGCSA-N 0 0 295.354 2.592 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)c2ccc(C)o2)c1O ZINC000743331997 574358882 /nfs/dbraw/zinc/35/88/82/574358882.db2.gz HBLWEYDVBUWLNY-NSHDSACASA-N 0 0 289.331 2.722 20 10 CFCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccncc1 ZINC000743502820 574367474 /nfs/dbraw/zinc/36/74/74/574367474.db2.gz JQSDDBKZYRJJJN-LLVKDONJSA-N 0 0 262.334 2.730 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1c(C)nn(C)c1C ZINC000743748472 574371628 /nfs/dbraw/zinc/37/16/28/574371628.db2.gz NLZKVMJETDSEET-NSHDSACASA-N 0 0 293.392 2.685 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCOCC2CC2)cc1 ZINC000751311649 574374079 /nfs/dbraw/zinc/37/40/79/574374079.db2.gz NTKLDLAPKFDJBD-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN CC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000752004325 574386577 /nfs/dbraw/zinc/38/65/77/574386577.db2.gz DYOUXOHCSLDWOD-UHFFFAOYSA-N 0 0 287.407 2.886 20 10 CFCDRN CCc1cnc(CN(C)c2ccc(OC)cc2OC)o1 ZINC000752122471 574388246 /nfs/dbraw/zinc/38/82/46/574388246.db2.gz KVQDNZSSCVTFNB-UHFFFAOYSA-N 0 0 276.336 2.891 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCOC1 ZINC000752418732 574391233 /nfs/dbraw/zinc/39/12/33/574391233.db2.gz NKTPILBAJWHZDB-HNNXBMFYSA-N 0 0 298.386 2.921 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)c(O)c1O ZINC000753029224 574397645 /nfs/dbraw/zinc/39/76/45/574397645.db2.gz KNRGXIRUPNYWIB-JTQLQIEISA-N 0 0 277.364 2.914 20 10 CFCDRN CCN(CC)c1ccc(CN2CC(F)C2)cc1F ZINC000753574210 574405015 /nfs/dbraw/zinc/40/50/15/574405015.db2.gz APCIDSCLUALPTA-UHFFFAOYSA-N 0 0 254.324 2.826 20 10 CFCDRN O=C([O-])CCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000819406502 597138503 /nfs/dbraw/zinc/13/85/03/597138503.db2.gz OPTMLWPDYOPARZ-UHFFFAOYSA-N 0 0 271.744 2.780 20 10 CFCDRN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086756743 598151292 /nfs/dbraw/zinc/15/12/92/598151292.db2.gz WWKXVANNSGCAAE-JTQLQIEISA-N 0 0 283.755 2.732 20 10 CFCDRN CCOc1cccc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1O ZINC000086735711 600007847 /nfs/dbraw/zinc/00/78/47/600007847.db2.gz GVXBZXXZHDUTAA-UHFFFAOYSA-N 0 0 293.363 2.524 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000737069322 600943599 /nfs/dbraw/zinc/94/35/99/600943599.db2.gz RNKNZLNAZUBNQR-HNNXBMFYSA-N 0 0 276.380 2.582 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000086774460 601817119 /nfs/dbraw/zinc/81/71/19/601817119.db2.gz UJISWMXXHFLTFH-RISCZKNCSA-N 0 0 285.343 2.698 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)[O-] ZINC000826560945 603599998 /nfs/dbraw/zinc/59/99/98/603599998.db2.gz DCLKOBJEZDNBEY-UHFFFAOYSA-N 0 0 292.379 2.538 20 10 CFCDRN CC[C@H](O)[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000900399718 620669727 /nfs/dbraw/zinc/66/97/27/620669727.db2.gz HVEYPSFDGWVIJI-CJNGLKHVSA-N 0 0 292.423 2.508 20 10 CFCDRN O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000405364539 604648988 /nfs/dbraw/zinc/64/89/88/604648988.db2.gz SKFFBNLREPYNID-GFCCVEGCSA-N 0 0 295.766 2.732 20 10 CFCDRN Cc1ccc(O)c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000251175199 604679772 /nfs/dbraw/zinc/67/97/72/604679772.db2.gz SQHLLKXTWZNWOJ-SNPRPXQTSA-N 0 0 289.375 2.918 20 10 CFCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000232538516 605547998 /nfs/dbraw/zinc/54/79/98/605547998.db2.gz HUEYTLJJJDSGMS-LBPRGKRZSA-N 0 0 295.354 2.854 20 10 CFCDRN CN(C)c1ccc(Cn2cc(C3CCC3)nn2)cc1 ZINC000900534025 620687133 /nfs/dbraw/zinc/68/71/33/620687133.db2.gz AAICKVOBIYMFSA-UHFFFAOYSA-N 0 0 256.353 2.660 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)C=CCC1 ZINC000935943863 649963941 /nfs/dbraw/zinc/96/39/41/649963941.db2.gz GUOFUJRDCHCIEU-MRXNPFEDSA-N 0 0 280.364 2.850 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000935945110 649964006 /nfs/dbraw/zinc/96/40/06/649964006.db2.gz LBCONNPRXCDBKG-GDNZZTSVSA-N 0 0 280.364 2.540 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)[nH]c1C ZINC000935947014 649964926 /nfs/dbraw/zinc/96/49/26/649964926.db2.gz RKDHOMLFGVYSOD-UHFFFAOYSA-N 0 0 293.363 2.753 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)c1cc(C2CC2)no1 ZINC000890759692 617837398 /nfs/dbraw/zinc/83/73/98/617837398.db2.gz OUCLIQXLOIUCDZ-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN O=C(CSC(F)F)NCc1cccc(Cl)c1O ZINC000890760853 617838275 /nfs/dbraw/zinc/83/82/75/617838275.db2.gz BDJJQQLHWHGZKL-UHFFFAOYSA-N 0 0 281.711 2.618 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761335 617838800 /nfs/dbraw/zinc/83/88/00/617838800.db2.gz OMVVGBAPPYJGIP-DGCLKSJQSA-N 0 0 297.782 2.867 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760672 617838955 /nfs/dbraw/zinc/83/89/55/617838955.db2.gz VTABBYKPSCWWJG-MRVPVSSYSA-N 0 0 273.785 2.661 20 10 CFCDRN CSC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890761819 617841425 /nfs/dbraw/zinc/84/14/25/617841425.db2.gz YZKJNTMPEAZWAH-UHFFFAOYSA-N 0 0 273.785 2.803 20 10 CFCDRN O=C(N[C@@H]1CCCC2(CC2)C1)c1c(F)ccc(O)c1O ZINC000900763703 620716012 /nfs/dbraw/zinc/71/60/12/620716012.db2.gz RSAQSGWVTQQFBD-SECBINFHSA-N 0 0 279.311 2.690 20 10 CFCDRN COc1ccc(O)c(CNC(=O)OCCC(F)(F)F)c1 ZINC000866848660 617614096 /nfs/dbraw/zinc/61/40/96/617614096.db2.gz JVJWVIMVEFUVEC-UHFFFAOYSA-N 0 0 293.241 2.579 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](O)CC ZINC000901053339 620747633 /nfs/dbraw/zinc/74/76/33/620747633.db2.gz NXNMVLSTXULHRF-OCCSQVGLSA-N 0 0 279.380 2.538 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)C=CCC1 ZINC000933816229 617784837 /nfs/dbraw/zinc/78/48/37/617784837.db2.gz VQBOHSQRPVOAJY-QGZVFWFLSA-N 0 0 286.375 2.834 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000806169980 617815794 /nfs/dbraw/zinc/81/57/94/617815794.db2.gz UDICXLILNPHUPB-ZJUUUORDSA-N 0 0 273.323 2.586 20 10 CFCDRN O=C(CC1CC1)NCc1cc(Br)ccc1O ZINC000804734075 617856413 /nfs/dbraw/zinc/85/64/13/617856413.db2.gz CAYDFLUEUUOKFW-UHFFFAOYSA-N 0 0 284.153 2.571 20 10 CFCDRN Cc1cnnc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000892132153 617966423 /nfs/dbraw/zinc/96/64/23/617966423.db2.gz ZJNXNBILPZKOPM-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)OCC(F)(F)F ZINC000108279381 617998331 /nfs/dbraw/zinc/99/83/31/617998331.db2.gz ATDKAIXWGUFOSW-UHFFFAOYSA-N 0 0 263.215 2.523 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2)cc1 ZINC000049971024 618074459 /nfs/dbraw/zinc/07/44/59/618074459.db2.gz HIFFZHSYGQLKQU-MRXNPFEDSA-N 0 0 257.333 2.865 20 10 CFCDRN CC[C@@H]([NH2+]CCCn1cncn1)c1cccc(Cl)c1[O-] ZINC000806153639 618084819 /nfs/dbraw/zinc/08/48/19/618084819.db2.gz SBMUDQREWPBINO-CYBMUJFWSA-N 0 0 294.786 2.768 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC2CCC=CCC2)c1 ZINC000891286947 618101469 /nfs/dbraw/zinc/10/14/69/618101469.db2.gz XABJRSIJMWCVGC-UHFFFAOYSA-N 0 0 274.364 2.999 20 10 CFCDRN CC(C)(C)CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000156599685 618108784 /nfs/dbraw/zinc/10/87/84/618108784.db2.gz QYVNGVCZUICZCG-UHFFFAOYSA-N 0 0 279.380 2.973 20 10 CFCDRN CS/C=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557777 618167658 /nfs/dbraw/zinc/16/76/58/618167658.db2.gz SHRDNWDPIWKFOO-XEHSLEBBSA-N 0 0 292.448 2.985 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cccnc2)c1 ZINC000255318250 618196046 /nfs/dbraw/zinc/19/60/46/618196046.db2.gz AMUUBMWJYOGXPI-JECSTDCCSA-N 0 0 298.342 2.686 20 10 CFCDRN COCCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000022406431 618201187 /nfs/dbraw/zinc/20/11/87/618201187.db2.gz GNMVVNRSMWNOSY-UHFFFAOYSA-N 0 0 286.375 2.860 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](CC)CCC(=O)[O-])cc1 ZINC000077253404 618203276 /nfs/dbraw/zinc/20/32/76/618203276.db2.gz ICCJDRHKUARJPJ-UHFFFAOYSA-N 0 0 278.396 2.829 20 10 CFCDRN Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c(O)c1O ZINC000179406068 618269806 /nfs/dbraw/zinc/26/98/06/618269806.db2.gz FPCKCVPCAPBHQM-LLVKDONJSA-N 0 0 283.327 2.998 20 10 CFCDRN CN1CCCc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000187084181 618272155 /nfs/dbraw/zinc/27/21/55/618272155.db2.gz UOSTYBUGOYQUMH-UHFFFAOYSA-N 0 0 298.342 2.733 20 10 CFCDRN Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1O ZINC000148427702 618273375 /nfs/dbraw/zinc/27/33/75/618273375.db2.gz BAQSZOQGPGRKMT-UHFFFAOYSA-N 0 0 298.751 2.550 20 10 CFCDRN CC[N@H+](CCSC)Cc1cc(F)cc(F)c1[O-] ZINC000895089407 618281064 /nfs/dbraw/zinc/28/10/64/618281064.db2.gz UQNVWYCAZIVKBI-UHFFFAOYSA-N 0 0 261.337 2.855 20 10 CFCDRN COc1ccc(CN[C@@]2(C)CC(C)(C)OC2=O)cc1C ZINC000930872227 618305430 /nfs/dbraw/zinc/30/54/30/618305430.db2.gz YATXJERHUYNQHE-INIZCTEOSA-N 0 0 277.364 2.577 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000894082850 618306245 /nfs/dbraw/zinc/30/62/45/618306245.db2.gz FUAVQKHXUBJUGJ-LBPRGKRZSA-N 0 0 273.323 2.509 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1OC ZINC000727025468 618307787 /nfs/dbraw/zinc/30/77/87/618307787.db2.gz FDOAALAPWHLZOD-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN COCCOc1ccc(CN(C)c2ccc(OC)cc2)o1 ZINC000895139103 618370040 /nfs/dbraw/zinc/37/00/40/618370040.db2.gz ZHLVUCSDZOSVFX-UHFFFAOYSA-N 0 0 291.347 2.950 20 10 CFCDRN CC(C)CSCCCNC(=O)c1cccc(O)c1O ZINC000193148097 618453051 /nfs/dbraw/zinc/45/30/51/618453051.db2.gz RLOLHUBBXYXCNM-UHFFFAOYSA-N 0 0 283.393 2.607 20 10 CFCDRN CC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000177671598 618469649 /nfs/dbraw/zinc/46/96/49/618469649.db2.gz WEJOZMNWHQLEIJ-NSHDSACASA-N 0 0 263.337 2.668 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000177674899 618470739 /nfs/dbraw/zinc/47/07/39/618470739.db2.gz OXHWWDQSQGBESH-HZPDHXFCSA-N 0 0 272.392 2.757 20 10 CFCDRN Cc1cccc(CN2c3ccccc3C[C@H]2CO)c1O ZINC000895241371 618493751 /nfs/dbraw/zinc/49/37/51/618493751.db2.gz FSAZZKUKNJWJLU-HNNXBMFYSA-N 0 0 269.344 2.624 20 10 CFCDRN CCn1cc(CSc2ncc(-c3ccccc3)n2C)nn1 ZINC000901424985 620815209 /nfs/dbraw/zinc/81/52/09/620815209.db2.gz SVTYQIMTHLVALH-UHFFFAOYSA-N 0 0 299.403 2.991 20 10 CFCDRN COc1cc(C)cc(CN2Cc3ccc(O)cc3C2)c1O ZINC000895389365 618562980 /nfs/dbraw/zinc/56/29/80/618562980.db2.gz DCGCWWBTLFWDKK-UHFFFAOYSA-N 0 0 285.343 2.931 20 10 CFCDRN CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841295939 618564517 /nfs/dbraw/zinc/56/45/17/618564517.db2.gz KHSBYVQFCZZUKW-GJZGRUSLSA-N 0 0 291.395 2.984 20 10 CFCDRN CCOc1cccc(CN2CC[C@H]2C(F)F)c1O ZINC000895438227 618586833 /nfs/dbraw/zinc/58/68/33/618586833.db2.gz ZNGDFWBTMDDMIG-JTQLQIEISA-N 0 0 257.280 2.630 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000895461034 618597164 /nfs/dbraw/zinc/59/71/64/618597164.db2.gz KPVAGVUVBGXZMK-KOLCDFICSA-N 0 0 285.359 2.855 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccns1 ZINC000901436449 620820314 /nfs/dbraw/zinc/82/03/14/620820314.db2.gz SPRIDSBIUQIQDU-NTMALXAHSA-N 0 0 279.390 2.599 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000935945735 618714234 /nfs/dbraw/zinc/71/42/34/618714234.db2.gz IRTRJZVECXOPOI-NEPJUHHUSA-N 0 0 280.364 2.540 20 10 CFCDRN CO[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000309627951 618738583 /nfs/dbraw/zinc/73/85/83/618738583.db2.gz GYRWFBMPHFSFDX-SECBINFHSA-N 0 0 288.185 2.588 20 10 CFCDRN CN(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180622974 618864936 /nfs/dbraw/zinc/86/49/36/618864936.db2.gz LHZQALPKZHEXHX-ONNFQVAWSA-N 0 0 298.342 2.816 20 10 CFCDRN CC(C)(C)OCC(=O)NCCCSc1nccs1 ZINC000181799976 618884564 /nfs/dbraw/zinc/88/45/64/618884564.db2.gz INERSRHGPSYYMX-UHFFFAOYSA-N 0 0 288.438 2.557 20 10 CFCDRN CCC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183439702 618906081 /nfs/dbraw/zinc/90/60/81/618906081.db2.gz VSDWGAKWMJENKL-SNVBAGLBSA-N 0 0 265.353 2.581 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000840918211 618931912 /nfs/dbraw/zinc/93/19/12/618931912.db2.gz YAFIBFSOZQPGTC-UHFFFAOYSA-N 0 0 274.408 2.816 20 10 CFCDRN CCC1(CNC(=O)Nc2ccc(N)cc2)CCOCC1 ZINC000313084280 618974900 /nfs/dbraw/zinc/97/49/00/618974900.db2.gz XHQVRMXDCINDBH-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN CN(Cc1nccn1C1CC1)c1ccc2c(c1)OCO2 ZINC000893462806 619006052 /nfs/dbraw/zinc/00/60/52/619006052.db2.gz UQRQZMANIJSMPW-UHFFFAOYSA-N 0 0 271.320 2.583 20 10 CFCDRN CCCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066927040 619057346 /nfs/dbraw/zinc/05/73/46/619057346.db2.gz LAVCJXJJKYAIGR-UHFFFAOYSA-N 0 0 281.375 2.881 20 10 CFCDRN CNC(=O)Cc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000121963173 619087300 /nfs/dbraw/zinc/08/73/00/619087300.db2.gz QZJUGKHFXKISAA-UHFFFAOYSA-N 0 0 297.402 2.653 20 10 CFCDRN Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958563 619149846 /nfs/dbraw/zinc/14/98/46/619149846.db2.gz QMUIQPOILWRDMA-CVEARBPZSA-N 0 0 287.334 2.839 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]1C1CCCC1 ZINC000889409016 619197822 /nfs/dbraw/zinc/19/78/22/619197822.db2.gz FDJIRZQTEYMUMT-NSHDSACASA-N 0 0 251.351 2.858 20 10 CFCDRN C[C@@H](NC(=O)c1ncccc1F)c1ccc(N(C)C)cc1 ZINC000832430212 625332090 /nfs/dbraw/zinc/33/20/90/625332090.db2.gz AUONNMDXDGZHMG-LLVKDONJSA-N 0 0 287.338 2.778 20 10 CFCDRN Cc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)o1 ZINC000048402589 619332820 /nfs/dbraw/zinc/33/28/20/619332820.db2.gz PZSTWMZHXALOKI-POHAHGRESA-N 0 0 265.359 2.952 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCCC2(C)C)c(O)c1O ZINC000182567592 625339282 /nfs/dbraw/zinc/33/92/82/625339282.db2.gz WTPZOWLDXLNTME-NSHDSACASA-N 0 0 263.337 2.715 20 10 CFCDRN CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)C1=CC(=O)CS1 ZINC000928311487 619342964 /nfs/dbraw/zinc/34/29/64/619342964.db2.gz RCAJUHGHKXORRJ-GXSJLCMTSA-N 0 0 299.392 2.551 20 10 CFCDRN CO[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000832437042 625335263 /nfs/dbraw/zinc/33/52/63/625335263.db2.gz WOOOTFXRJAYACN-XNRPHZJLSA-N 0 0 290.407 2.745 20 10 CFCDRN COc1ccc(CN[C@H]2CCCC2(F)F)c(O)c1OC ZINC000894513312 619406358 /nfs/dbraw/zinc/40/63/58/619406358.db2.gz HJBXBMSPWMWWCX-NSHDSACASA-N 0 0 287.306 2.687 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000841863238 619442225 /nfs/dbraw/zinc/44/22/25/619442225.db2.gz KDZZWDAYYFWZDS-UHFFFAOYSA-N 0 0 287.407 2.691 20 10 CFCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894779248 619463971 /nfs/dbraw/zinc/46/39/71/619463971.db2.gz DZIHJFYSCIQNKE-OAHLLOKOSA-N 0 0 285.334 2.797 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000894851321 619482231 /nfs/dbraw/zinc/48/22/31/619482231.db2.gz PQTVVJSKTVDDGG-ZDUSSCGKSA-N 0 0 297.345 2.919 20 10 CFCDRN CNc1nnc(Sc2ncc(Cl)s2)s1 ZINC000307538877 619494169 /nfs/dbraw/zinc/49/41/69/619494169.db2.gz KQBKHHVAARCVTP-UHFFFAOYSA-N 0 0 264.788 2.841 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000894890221 619499402 /nfs/dbraw/zinc/49/94/02/619499402.db2.gz ZWRBXPASHLJVEH-BPLDGKMQSA-N 0 0 297.345 2.796 20 10 CFCDRN CN(C)c1ccc(CN2CC(C(F)(F)F)C2)cc1F ZINC000894891956 619500094 /nfs/dbraw/zinc/50/00/94/619500094.db2.gz HKCRAZSYJQXCFV-UHFFFAOYSA-N 0 0 276.277 2.886 20 10 CFCDRN CC1(C)[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]2CCCO[C@@H]21 ZINC000841299544 619540330 /nfs/dbraw/zinc/54/03/30/619540330.db2.gz IQRQKUYJWYHBBY-MCIONIFRSA-N 0 0 289.379 2.594 20 10 CFCDRN COC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1 ZINC000841299577 619540691 /nfs/dbraw/zinc/54/06/91/619540691.db2.gz JEGZRLHVWZXFIC-CYBMUJFWSA-N 0 0 289.335 2.679 20 10 CFCDRN Oc1ccccc1CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000895562892 619556350 /nfs/dbraw/zinc/55/63/50/619556350.db2.gz ZXSXVSNQKRWYIX-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN COC(=O)[C@H](CC(C)C)NCc1cc(C)c(C)cc1O ZINC000895588321 619561971 /nfs/dbraw/zinc/56/19/71/619561971.db2.gz GFXLDSUVHWLJOU-AWEZNQCLSA-N 0 0 279.380 2.686 20 10 CFCDRN COCCOc1ccc(C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000895581740 619563040 /nfs/dbraw/zinc/56/30/40/619563040.db2.gz RXCMQCSRYSPTEO-UHFFFAOYSA-N 0 0 291.347 2.609 20 10 CFCDRN CCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000895710818 619588389 /nfs/dbraw/zinc/58/83/89/619588389.db2.gz LECFZVLDSGTGKD-UHFFFAOYSA-N 0 0 299.374 2.767 20 10 CFCDRN COCCOc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000895784958 619606086 /nfs/dbraw/zinc/60/60/86/619606086.db2.gz NBQQTCXIZJXWAD-UHFFFAOYSA-N 0 0 289.331 2.526 20 10 CFCDRN Cc1cccc(O)c1C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000895802800 619611588 /nfs/dbraw/zinc/61/15/88/619611588.db2.gz PZVMFNVRFYACTI-ZDUSSCGKSA-N 0 0 263.381 2.995 20 10 CFCDRN CCOCc1nc(C)cc(NCc2c(O)cccc2F)n1 ZINC000895832935 619619268 /nfs/dbraw/zinc/61/92/68/619619268.db2.gz QXAAZQZYKIXHSJ-UHFFFAOYSA-N 0 0 291.326 2.778 20 10 CFCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896401688 619729585 /nfs/dbraw/zinc/72/95/85/619729585.db2.gz RKHCTPIJUXLGIO-ZIYJGFGOSA-N 0 0 253.292 2.805 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000182685004 625368857 /nfs/dbraw/zinc/36/88/57/625368857.db2.gz XHRWRLTWSJULAI-CYBMUJFWSA-N 0 0 284.407 2.653 20 10 CFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)[C@H]1SC ZINC000896636849 619779778 /nfs/dbraw/zinc/77/97/78/619779778.db2.gz FMLWNQIQXKJCTF-MRVWCRGKSA-N 0 0 285.384 2.530 20 10 CFCDRN C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896639477 619780813 /nfs/dbraw/zinc/78/08/13/619780813.db2.gz VECCTDCXQONFPR-VHSXEESVSA-N 0 0 255.358 2.905 20 10 CFCDRN C[C@@H](CSCCF)[NH2+]Cc1c([O-])cccc1F ZINC000896639054 619780851 /nfs/dbraw/zinc/78/08/51/619780851.db2.gz TXUKVUYZUUVLCP-VIFPVBQESA-N 0 0 261.337 2.712 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCc2cccnc21 ZINC000896640208 619781379 /nfs/dbraw/zinc/78/13/79/619781379.db2.gz GVILGEXMTLPUHH-CYBMUJFWSA-N 0 0 258.296 2.703 20 10 CFCDRN Cc1nn(C(C)C)cc1C[NH2+]Cc1c([O-])cccc1F ZINC000896639533 619781395 /nfs/dbraw/zinc/78/13/95/619781395.db2.gz VRGGSDPOIBVZHN-UHFFFAOYSA-N 0 0 277.343 2.907 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCc2cccnc21 ZINC000896640209 619781750 /nfs/dbraw/zinc/78/17/50/619781750.db2.gz GVILGEXMTLPUHH-ZDUSSCGKSA-N 0 0 258.296 2.703 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)ccc(F)c1F ZINC000896860280 619846672 /nfs/dbraw/zinc/84/66/72/619846672.db2.gz OCBPVIBOFMDYOM-JGVFFNPUSA-N 0 0 281.224 2.958 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cnn(C)c1 ZINC000897080162 619928797 /nfs/dbraw/zinc/92/87/97/619928797.db2.gz OKVPSQLUCBRVBZ-AWEZNQCLSA-N 0 0 295.333 2.891 20 10 CFCDRN CC(C)C[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928707179 619996063 /nfs/dbraw/zinc/99/60/63/619996063.db2.gz BTTDYWZXJYLXHZ-JTQLQIEISA-N 0 0 253.317 2.830 20 10 CFCDRN CC1(C)CO[C@@H](CCC(=O)NCc2c(O)cccc2F)C1 ZINC000928711901 619997144 /nfs/dbraw/zinc/99/71/44/619997144.db2.gz VJVRLJYNEJLSPV-NSHDSACASA-N 0 0 295.354 2.743 20 10 CFCDRN CC(C)CCO[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712806 619997160 /nfs/dbraw/zinc/99/71/60/619997160.db2.gz ZGHUFPFEQZDEFZ-NSHDSACASA-N 0 0 283.343 2.599 20 10 CFCDRN c1cnc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000192809282 620027698 /nfs/dbraw/zinc/02/76/98/620027698.db2.gz JMIRBQBDDCTUED-UHFFFAOYSA-N 0 0 254.337 2.689 20 10 CFCDRN COc1ccc(N(C)Cc2oc(C)nc2C)c(OC)c1 ZINC000788021336 620030641 /nfs/dbraw/zinc/03/06/41/620030641.db2.gz NYHVUGHNAQIRIZ-UHFFFAOYSA-N 0 0 276.336 2.945 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC(C)C)c1 ZINC000728984072 620048051 /nfs/dbraw/zinc/04/80/51/620048051.db2.gz JTWIZMNDKOZYNW-SNVBAGLBSA-N 0 0 251.326 2.624 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC000785765069 620234254 /nfs/dbraw/zinc/23/42/54/620234254.db2.gz YQFUWJWSHZXGOJ-QWHCGFSZSA-N 0 0 279.380 2.955 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC000897682897 620271174 /nfs/dbraw/zinc/27/11/74/620271174.db2.gz BDTKVBOPZILXEG-CJNGLKHVSA-N 0 0 291.391 2.946 20 10 CFCDRN Cc1noc(C2(NC/C=C\c3ccc(N(C)C)cc3)CC2)n1 ZINC000897895979 620299716 /nfs/dbraw/zinc/29/97/16/620299716.db2.gz MCUWLAGQZDPBEA-PLNGDYQASA-N 0 0 298.390 2.736 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cncs1 ZINC000897930302 620305095 /nfs/dbraw/zinc/30/50/95/620305095.db2.gz MVYWAYZPXGVGRE-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@H](Cc1cccnc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000897964562 620313521 /nfs/dbraw/zinc/31/35/21/620313521.db2.gz GBCIOENRSGLSLN-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN CCOc1cccc(CNC(C)(C)C(=O)OC(C)C)c1O ZINC000898509265 620472587 /nfs/dbraw/zinc/47/25/87/620472587.db2.gz NUFKCLZIAKXGTC-UHFFFAOYSA-N 0 0 295.379 2.611 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC=CC[C@H]2C)c1 ZINC000898880769 620498519 /nfs/dbraw/zinc/49/85/19/620498519.db2.gz UWQNHYGQYMQOSR-TZMCWYRMSA-N 0 0 274.364 2.855 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CC=CC[C@H]2C)c1O ZINC000898891020 620501314 /nfs/dbraw/zinc/50/13/14/620501314.db2.gz MDBIMEXFGOTHQC-DGCLKSJQSA-N 0 0 290.363 2.555 20 10 CFCDRN Cc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000042116580 620509411 /nfs/dbraw/zinc/50/94/11/620509411.db2.gz KEFFHUURPMYUEF-UHFFFAOYSA-N 0 0 255.317 2.973 20 10 CFCDRN CC(C)(F)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899154282 620526292 /nfs/dbraw/zinc/52/62/92/620526292.db2.gz RXJBFWXCRYTYBX-UHFFFAOYSA-N 0 0 283.324 2.790 20 10 CFCDRN Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000899181413 620528395 /nfs/dbraw/zinc/52/83/95/620528395.db2.gz BXEPRSMRUFPREI-LBPRGKRZSA-N 0 0 287.363 2.510 20 10 CFCDRN O=C(N[C@@H]1CC12CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899199352 620530309 /nfs/dbraw/zinc/53/03/09/620530309.db2.gz HEEBANYFYNFZOV-CYBMUJFWSA-N 0 0 289.356 2.985 20 10 CFCDRN CCc1onc(C)c1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000899260293 620538439 /nfs/dbraw/zinc/53/84/39/620538439.db2.gz BHUZTPZYWSIFCU-IZZDOVSWSA-N 0 0 294.401 2.909 20 10 CFCDRN C[C@@]1(CNC(=O)C2=CC(=O)CS2)CCOC2(CCC2)C1 ZINC000899487023 620574425 /nfs/dbraw/zinc/57/44/25/620574425.db2.gz FPBGWVGDABODLK-CQSZACIVSA-N 0 0 295.404 2.923 20 10 CFCDRN COCc1cc(NCc2cc(C)c(C)cc2O)ncn1 ZINC000902085260 620972334 /nfs/dbraw/zinc/97/23/34/620972334.db2.gz DVZGZFLGDMBCNX-UHFFFAOYSA-N 0 0 273.336 2.558 20 10 CFCDRN CCn1cnnc1NCc1c(C)c2ccccc2n1C ZINC000902138350 620980690 /nfs/dbraw/zinc/98/06/90/620980690.db2.gz JWDRUWCSESJWOM-UHFFFAOYSA-N 0 0 269.352 2.710 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cn(C)nn2)cc1 ZINC000902756424 621165807 /nfs/dbraw/zinc/16/58/07/621165807.db2.gz ZBIUIBTYJGDKEO-ZDUSSCGKSA-N 0 0 287.411 2.512 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1c([O-])cccc1F ZINC000903260399 621302851 /nfs/dbraw/zinc/30/28/51/621302851.db2.gz NPHQIOOIHQSAJD-UAKXVISKSA-N 0 0 265.328 2.749 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000903274125 621310014 /nfs/dbraw/zinc/31/00/14/621310014.db2.gz IPWLAUOZHMWOKT-AWEZNQCLSA-N 0 0 295.333 2.938 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000903299393 621314413 /nfs/dbraw/zinc/31/44/13/621314413.db2.gz AUTDBFNIYKGMSS-KWBADKCTSA-N 0 0 268.788 2.789 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903323651 621323989 /nfs/dbraw/zinc/32/39/89/621323989.db2.gz CEWZQEBMNLBJGR-BDJLRTHQSA-N 0 0 299.374 2.993 20 10 CFCDRN CC(C)O[C@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000903357553 621347686 /nfs/dbraw/zinc/34/76/86/621347686.db2.gz NMMSOZZIUSOZKK-WBMJQRKESA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(F)cc1[O-] ZINC000903391287 621350180 /nfs/dbraw/zinc/35/01/80/621350180.db2.gz XGPDAYDAMGEOMI-ABAIWWIYSA-N 0 0 295.354 2.520 20 10 CFCDRN C[C@H](c1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCCO1 ZINC000904076504 621517289 /nfs/dbraw/zinc/51/72/89/621517289.db2.gz CMAPLFWVWYFIPH-GWCFXTLKSA-N 0 0 273.336 2.525 20 10 CFCDRN CC1(C)CO[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000904077791 621517582 /nfs/dbraw/zinc/51/75/82/621517582.db2.gz GYNNPQIQLYINDL-ZDUSSCGKSA-N 0 0 287.363 2.600 20 10 CFCDRN COc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879103 621540795 /nfs/dbraw/zinc/54/07/95/621540795.db2.gz JMPYPDJQIIKCOD-UHFFFAOYSA-N 0 0 273.288 2.742 20 10 CFCDRN CCOc1ccccc1NC[C@@H](O)CCC1(O)CCC1 ZINC000905294823 621733798 /nfs/dbraw/zinc/73/37/98/621733798.db2.gz LFJXINMKTMJRKU-ZDUSSCGKSA-N 0 0 279.380 2.553 20 10 CFCDRN O[C@@H](CNc1ccccc1OCCF)CC1(O)CCCC1 ZINC000905340704 621751198 /nfs/dbraw/zinc/75/11/98/621751198.db2.gz WFQNJAIMFUPWJM-CYBMUJFWSA-N 0 0 297.370 2.503 20 10 CFCDRN CCCc1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905408002 621760398 /nfs/dbraw/zinc/76/03/98/621760398.db2.gz LVKRKDJJMZURSU-UHFFFAOYSA-N 0 0 269.251 2.618 20 10 CFCDRN CCc1cc(NCc2cc(F)cc(F)c2O)no1 ZINC000905412477 621762514 /nfs/dbraw/zinc/76/25/14/621762514.db2.gz WAJLZASFAKZHFZ-UHFFFAOYSA-N 0 0 254.236 2.833 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000905449866 621767325 /nfs/dbraw/zinc/76/73/25/621767325.db2.gz ZDBHYHPVFMZJIM-CZUORRHYSA-N 0 0 290.407 2.526 20 10 CFCDRN Cc1ccncc1NCc1ccc(N2CCOCC2)cc1 ZINC000071413583 625515273 /nfs/dbraw/zinc/51/52/73/625515273.db2.gz URXZMGAHQDGUQE-UHFFFAOYSA-N 0 0 283.375 2.839 20 10 CFCDRN CSC[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000832819428 625527670 /nfs/dbraw/zinc/52/76/70/625527670.db2.gz NXFWELHPGGRHPH-SECBINFHSA-N 0 0 271.407 2.669 20 10 CFCDRN CCOC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000832878055 625535429 /nfs/dbraw/zinc/53/54/29/625535429.db2.gz OLHANKIFDFMRPF-UHFFFAOYSA-N 0 0 269.366 2.533 20 10 CFCDRN Nc1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000001619287 625543692 /nfs/dbraw/zinc/54/36/92/625543692.db2.gz GDXOQKLJTOYQCH-UHFFFAOYSA-N 0 0 276.723 2.940 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000907491744 622131901 /nfs/dbraw/zinc/13/19/01/622131901.db2.gz GBMMJKYMKQLNDX-CHWSQXEVSA-N 0 0 298.390 2.524 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]1C(F)F ZINC000908506757 622240449 /nfs/dbraw/zinc/24/04/49/622240449.db2.gz UNDMRVIQVSFQMG-ZETCQYMHSA-N 0 0 299.298 2.792 20 10 CFCDRN CC(C)C[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910953476 622489184 /nfs/dbraw/zinc/48/91/84/622489184.db2.gz BSMXELZICIFSPH-NSHDSACASA-N 0 0 265.353 2.786 20 10 CFCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910957065 622490001 /nfs/dbraw/zinc/49/00/01/622490001.db2.gz OPUDRNCZNNUFQH-MLGOLLRUSA-N 0 0 277.364 2.930 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(O)cc2O)C[C@@H]1c1ccccc1 ZINC000910943549 622491233 /nfs/dbraw/zinc/49/12/33/622491233.db2.gz DGMDOIPLLCWJNN-QAPCUYQASA-N 0 0 297.354 2.908 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCc2ccccc2C1 ZINC000910943892 622491324 /nfs/dbraw/zinc/49/13/24/622491324.db2.gz PWNZXNWQKKAKGA-AWEZNQCLSA-N 0 0 297.354 2.519 20 10 CFCDRN CC1(C(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC000910947719 622492410 /nfs/dbraw/zinc/49/24/10/622492410.db2.gz KSLZQKQDRGBNDU-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)c1ccccn1 ZINC000833587912 625571190 /nfs/dbraw/zinc/57/11/90/625571190.db2.gz ZVWCBCZPUQLMEK-UHFFFAOYSA-N 0 0 276.361 2.556 20 10 CFCDRN Cc1ccnc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000184108986 625573357 /nfs/dbraw/zinc/57/33/57/625573357.db2.gz GXHNWIKXUAHCNM-UHFFFAOYSA-N 0 0 271.320 2.760 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000911782731 622550963 /nfs/dbraw/zinc/55/09/63/622550963.db2.gz LUCJZCUAZVONLR-CQSZACIVSA-N 0 0 258.365 2.674 20 10 CFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000911782477 622550974 /nfs/dbraw/zinc/55/09/74/622550974.db2.gz JRTWFGHJZPEDJB-MEWXFMAXSA-N 0 0 272.392 2.610 20 10 CFCDRN CSCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820123036 622614132 /nfs/dbraw/zinc/61/41/32/622614132.db2.gz JXYCCYJQVKORPG-VIFPVBQESA-N 0 0 294.380 2.720 20 10 CFCDRN CCONC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000820523504 622694577 /nfs/dbraw/zinc/69/45/77/622694577.db2.gz LXGIQXILDUDLDC-UHFFFAOYSA-N 0 0 272.348 2.704 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC2(C)C)c1 ZINC000156441223 622941082 /nfs/dbraw/zinc/94/10/82/622941082.db2.gz OECMYCPKGHJOOW-BXKDBHETSA-N 0 0 263.337 2.624 20 10 CFCDRN Cc1cc(C)c(O)c(CN(C)[C@H](C)C(=O)OC(C)C)c1 ZINC000164501961 622958046 /nfs/dbraw/zinc/95/80/46/622958046.db2.gz GSZBXBBYQCOCRR-CYBMUJFWSA-N 0 0 279.380 2.781 20 10 CFCDRN CC[C@@H](CSC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821720665 622965321 /nfs/dbraw/zinc/96/53/21/622965321.db2.gz QPVKTGWFAGPONA-JTQLQIEISA-N 0 0 294.380 2.720 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)COC(C)(C)C)cc1 ZINC000164803763 622967960 /nfs/dbraw/zinc/96/79/60/622967960.db2.gz AMCGUYOQSFDVRK-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000224866867 623016708 /nfs/dbraw/zinc/01/67/08/623016708.db2.gz VDBPTSHPMQJFBW-CMPLNLGQSA-N 0 0 269.772 2.686 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC(C)(C)C)c1 ZINC000157247372 623021443 /nfs/dbraw/zinc/02/14/43/623021443.db2.gz ARWMFNCJCHGEJC-VIFPVBQESA-N 0 0 266.341 2.560 20 10 CFCDRN CCc1ccccc1C(=O)NCc1ccccc1O ZINC000157608113 623041599 /nfs/dbraw/zinc/04/15/99/623041599.db2.gz DVNIWAODPRSGKP-UHFFFAOYSA-N 0 0 255.317 2.885 20 10 CFCDRN CCO[C@@H](CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058770412 623063841 /nfs/dbraw/zinc/06/38/41/623063841.db2.gz YYFUGNURFPXISD-INIZCTEOSA-N 0 0 290.407 2.500 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265633 623066311 /nfs/dbraw/zinc/06/63/11/623066311.db2.gz UMZOYXLUTKHLEM-UKRRQHHQSA-N 0 0 260.381 2.757 20 10 CFCDRN COC(=O)c1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000058942700 623074271 /nfs/dbraw/zinc/07/42/71/623074271.db2.gz AFORQGNVGSCMOM-UHFFFAOYSA-N 0 0 287.315 2.638 20 10 CFCDRN CNC(=O)c1cccc(NCc2cc(F)ccc2O)c1C ZINC000226580385 623084143 /nfs/dbraw/zinc/08/41/43/623084143.db2.gz HYMIYNVVPCKNGY-UHFFFAOYSA-N 0 0 288.322 2.811 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nc(C(F)F)no1 ZINC000822575488 623129760 /nfs/dbraw/zinc/12/97/60/623129760.db2.gz RPCUMPMDBUVCAF-UHFFFAOYSA-N 0 0 295.289 2.969 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CC2)c(OC)c1 ZINC000822774839 623172834 /nfs/dbraw/zinc/17/28/34/623172834.db2.gz KDDRKOVTLNQYNS-HNNXBMFYSA-N 0 0 265.353 2.565 20 10 CFCDRN CC(C)N(Cc1ccccn1)C(=O)C1=CC(=O)CS1 ZINC000822821374 623181733 /nfs/dbraw/zinc/18/17/33/623181733.db2.gz ULFOIYQGCPEFJK-UHFFFAOYSA-N 0 0 276.361 2.900 20 10 CFCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC000822964132 623210462 /nfs/dbraw/zinc/21/04/62/623210462.db2.gz POXSAQQRFKFNIO-LURJTMIESA-N 0 0 288.229 2.530 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1cc(OC)ccc1O ZINC000172072325 623259558 /nfs/dbraw/zinc/25/95/58/623259558.db2.gz HZEFFEPSSIVXMZ-WDEREUQCSA-N 0 0 280.368 2.635 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000823482894 623331986 /nfs/dbraw/zinc/33/19/86/623331986.db2.gz ZYODUNPSJFUBSJ-RISCZKNCSA-N 0 0 273.380 2.665 20 10 CFCDRN C/C=C/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173206237 623337839 /nfs/dbraw/zinc/33/78/39/623337839.db2.gz LIKOUGYLBWBPFD-YTXTXJHMSA-N 0 0 272.348 2.610 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(C)C)no2)cc1OC ZINC000063617274 623367169 /nfs/dbraw/zinc/36/71/69/623367169.db2.gz MAXSEAKGYGXQIK-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CC(CC(F)F)C2)cc1 ZINC000823800653 623398188 /nfs/dbraw/zinc/39/81/88/623398188.db2.gz JFPNEQSLCSDGEL-UHFFFAOYSA-N 0 0 296.277 2.576 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC1CC(C)(C)C1 ZINC000824018572 623434325 /nfs/dbraw/zinc/43/43/25/623434325.db2.gz QVHKJUNPIYGQKY-UHFFFAOYSA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)CF ZINC000840484869 623454695 /nfs/dbraw/zinc/45/46/95/623454695.db2.gz QHEATTBPIYYJMT-STQMWFEESA-N 0 0 295.402 2.649 20 10 CFCDRN CCn1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824195466 623467455 /nfs/dbraw/zinc/46/74/55/623467455.db2.gz GBWORTAPXXNDSX-LBPRGKRZSA-N 0 0 287.411 2.523 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nccnc1OC ZINC000824407153 623501776 /nfs/dbraw/zinc/50/17/76/623501776.db2.gz BXOMSVPCYFDMHD-UHFFFAOYSA-N 0 0 299.374 2.837 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824547939 623522246 /nfs/dbraw/zinc/52/22/46/623522246.db2.gz FBZRJXRNALPAKU-GFCCVEGCSA-N 0 0 269.772 2.965 20 10 CFCDRN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000824566833 623524939 /nfs/dbraw/zinc/52/49/39/623524939.db2.gz DLPSAQNGIWSCQV-GFCCVEGCSA-N 0 0 274.324 2.767 20 10 CFCDRN 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624135012 /nfs/dbraw/zinc/13/50/12/624135012.db2.gz RLSWWYJHYKWOBQ-BZPMIXESSA-N 0 0 277.364 2.511 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)c1ccncc1)c1ccccc1O ZINC000827951952 624136302 /nfs/dbraw/zinc/13/63/02/624136302.db2.gz AJGXJPYDHPSIFS-VXGBXAGGSA-N 0 0 270.332 2.768 20 10 CFCDRN CCc1ccc(CC(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000827952422 624136718 /nfs/dbraw/zinc/13/67/18/624136718.db2.gz RPHMGGUNCNTPOU-GFCCVEGCSA-N 0 0 284.359 2.770 20 10 CFCDRN C[C@@H](NC(=O)c1ncoc1C1CC1)c1ccccc1O ZINC000827952501 624137198 /nfs/dbraw/zinc/13/71/98/624137198.db2.gz VRXODIARMCSIMU-SECBINFHSA-N 0 0 272.304 2.749 20 10 CFCDRN C[C@@H](NC(=O)c1c(C2CCC2)cnn1C)c1ccccc1O ZINC000827955890 624137852 /nfs/dbraw/zinc/13/78/52/624137852.db2.gz GBKOUGSXFOYVBU-LLVKDONJSA-N 0 0 299.374 2.884 20 10 CFCDRN Cc1[nH]c(C(=O)N[C@@H](C)c2ccccc2O)c(C)c1C=O ZINC000827956819 624138120 /nfs/dbraw/zinc/13/81/20/624138120.db2.gz PGVSAEWYHZYPAJ-JTQLQIEISA-N 0 0 286.331 2.641 20 10 CFCDRN C[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)c1ccccc1O ZINC000827956281 624138310 /nfs/dbraw/zinc/13/83/10/624138310.db2.gz JDSFJYWTYZZUOW-NEPJUHHUSA-N 0 0 299.374 2.662 20 10 CFCDRN C[C@H](NC(=O)C1(C)CCC(=O)CC1)c1ccccc1O ZINC000827959790 624139747 /nfs/dbraw/zinc/13/97/47/624139747.db2.gz FWEURBIZRFREDU-NSHDSACASA-N 0 0 275.348 2.719 20 10 CFCDRN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000827960674 624140496 /nfs/dbraw/zinc/14/04/96/624140496.db2.gz VFBOHPQTSYAGLS-MNOVXSKESA-N 0 0 293.363 2.547 20 10 CFCDRN Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C2 ZINC000827960547 624140609 /nfs/dbraw/zinc/14/06/09/624140609.db2.gz QVJQGPAPPDVYGL-BLLLJJGKSA-N 0 0 297.354 2.882 20 10 CFCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000827960910 624140642 /nfs/dbraw/zinc/14/06/42/624140642.db2.gz YPLIEXXGQSHORT-TYNCELHUSA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCc2cccnc21)c1ccccc1O ZINC000827963893 624140772 /nfs/dbraw/zinc/14/07/72/624140772.db2.gz DGTFFXBYUPJTEK-FZMZJTMJSA-N 0 0 282.343 2.694 20 10 CFCDRN CC(C)n1cc(C(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827968896 624141719 /nfs/dbraw/zinc/14/17/19/624141719.db2.gz CIYXLKDPAPDMLJ-NSHDSACASA-N 0 0 273.336 2.661 20 10 CFCDRN CSC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827968878 624141721 /nfs/dbraw/zinc/14/17/21/624141721.db2.gz BQHLZKPQZSWCLW-JTQLQIEISA-N 0 0 265.378 2.855 20 10 CFCDRN C[C@H](NC(=O)c1occ2c1CCC2)c1ccccc1O ZINC000827964309 624141739 /nfs/dbraw/zinc/14/17/39/624141739.db2.gz KMUNMTNWPPQNSS-JTQLQIEISA-N 0 0 271.316 2.965 20 10 CFCDRN CC1=C(C(=O)N[C@@H](C)c2ccccc2O)CCCO1 ZINC000827973484 624144005 /nfs/dbraw/zinc/14/40/05/624144005.db2.gz RDPQNFUDBAJLNJ-JTQLQIEISA-N 0 0 261.321 2.654 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1O ZINC000827973341 624144254 /nfs/dbraw/zinc/14/42/54/624144254.db2.gz MABBZYVYKGQGQW-RYUDHWBXSA-N 0 0 263.337 2.529 20 10 CFCDRN C[C@H](NC(=O)CCCc1ccccn1)c1ccccc1O ZINC000827978348 624144786 /nfs/dbraw/zinc/14/47/86/624144786.db2.gz QEUHYESSWFIELA-ZDUSSCGKSA-N 0 0 284.359 2.987 20 10 CFCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978004 624144796 /nfs/dbraw/zinc/14/47/96/624144796.db2.gz GAHYMYNZNLHERP-ZJUUUORDSA-N 0 0 287.363 2.713 20 10 CFCDRN C[C@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1O ZINC000827977982 624145165 /nfs/dbraw/zinc/14/51/65/624145165.db2.gz FFJCAZKQHWZSES-QWHCGFSZSA-N 0 0 277.364 2.919 20 10 CFCDRN CCCc1cc(C(=O)N[C@@H](C)c2ccccc2O)[nH]n1 ZINC000827982202 624146336 /nfs/dbraw/zinc/14/63/36/624146336.db2.gz NYVBFRPIVKDJKH-JTQLQIEISA-N 0 0 273.336 2.559 20 10 CFCDRN CC(C)SCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982558 624146399 /nfs/dbraw/zinc/14/63/99/624146399.db2.gz YJMMQXWOMLJDQX-JTQLQIEISA-N 0 0 253.367 2.711 20 10 CFCDRN CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000072622114 625698771 /nfs/dbraw/zinc/69/87/71/625698771.db2.gz XLNUYLKHBHGFIB-UHFFFAOYSA-N 0 0 259.305 2.924 20 10 CFCDRN COc1ccc(N(C)CCC[C@H]2CCOC2)c(OC)c1 ZINC000828094242 624170491 /nfs/dbraw/zinc/17/04/91/624170491.db2.gz LBHVMTZFBDSUCH-ZDUSSCGKSA-N 0 0 279.380 2.957 20 10 CFCDRN CCO[C@H]1C[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000916148514 624226192 /nfs/dbraw/zinc/22/61/92/624226192.db2.gz WMXDYELBDUIUSI-HOTGVXAUSA-N 0 0 290.407 2.526 20 10 CFCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000929921607 624226652 /nfs/dbraw/zinc/22/66/52/624226652.db2.gz VPNHSMVWEXBTSF-MRVPVSSYSA-N 0 0 268.744 2.643 20 10 CFCDRN C/C=C/C=C/C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000153903503 624229345 /nfs/dbraw/zinc/22/93/45/624229345.db2.gz IVYIIEFPEJTZAS-ILMMAJNQSA-N 0 0 261.321 2.710 20 10 CFCDRN C[C@H](NC(=O)[C@@]12CCO[C@H]1CCCC2)c1ccccc1O ZINC000828538891 624265225 /nfs/dbraw/zinc/26/52/25/624265225.db2.gz DGQGTYKLWPCRTR-NUTKFTJISA-N 0 0 289.375 2.919 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1O ZINC000828539473 624265238 /nfs/dbraw/zinc/26/52/38/624265238.db2.gz PHMXBACLEGTENJ-DETPVDSQSA-N 0 0 289.375 2.917 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000834555305 625710026 /nfs/dbraw/zinc/71/00/26/625710026.db2.gz 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2.928 20 10 CFCDRN COC(=O)c1cnc(SCCCCCCO)s1 ZINC000829681484 624506235 /nfs/dbraw/zinc/50/62/35/624506235.db2.gz XNCNPHLLNDENDN-UHFFFAOYSA-N 0 0 275.395 2.575 20 10 CFCDRN CCCCC[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829817464 624556138 /nfs/dbraw/zinc/55/61/38/624556138.db2.gz NKPVEJHPESIYCZ-CJNGLKHVSA-N 0 0 292.423 2.871 20 10 CFCDRN C[C@H](NC(=O)/C=C/[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000829818044 624556450 /nfs/dbraw/zinc/55/64/50/624556450.db2.gz UQYMTLNKPVRIBE-JNGJTHOISA-N 0 0 288.391 2.523 20 10 CFCDRN Cc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000829864818 624572090 /nfs/dbraw/zinc/57/20/90/624572090.db2.gz ZUHXYERJKAWIOH-UHFFFAOYSA-N 0 0 267.350 2.900 20 10 CFCDRN c1csc(Sc2nnc(N3CCCC3)s2)n1 ZINC000919722814 624606266 /nfs/dbraw/zinc/60/62/66/624606266.db2.gz TZHBFLGSHZJKOA-UHFFFAOYSA-N 0 0 270.408 2.746 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000830141507 624640831 /nfs/dbraw/zinc/64/08/31/624640831.db2.gz VOKLABJZJSVYLL-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc(O)c1O ZINC000830474955 624755941 /nfs/dbraw/zinc/75/59/41/624755941.db2.gz RTQYXEYEZNICOQ-SECBINFHSA-N 0 0 279.311 2.642 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCCc1ccc(O)c(O)c1 ZINC000830532193 624773646 /nfs/dbraw/zinc/77/36/46/624773646.db2.gz SOOGJTZBVMWVIK-OAHLLOKOSA-N 0 0 283.343 2.675 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000830540443 624775963 /nfs/dbraw/zinc/77/59/63/624775963.db2.gz JVNDZVDLIMNHAN-NNYUYHANSA-N 0 0 275.348 2.624 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1[C@H]2CCCCCC[C@H]12 ZINC000830559729 624779990 /nfs/dbraw/zinc/77/99/90/624779990.db2.gz UJONNKRYCBRKTO-STQMWFEESA-N 0 0 289.375 2.930 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000830579503 624782815 /nfs/dbraw/zinc/78/28/15/624782815.db2.gz IJELLDYGMSNTSF-IIAWOOMASA-N 0 0 272.392 2.896 20 10 CFCDRN CCN(C[C@H]1CCOC1)c1ccc(OC)c(OC)c1 ZINC000921061380 624804398 /nfs/dbraw/zinc/80/43/98/624804398.db2.gz DPOOCUZMLNGNQU-GFCCVEGCSA-N 0 0 265.353 2.567 20 10 CFCDRN COc1cccc(CNC(=O)c2cscc2C)c1O ZINC000175258338 624942457 /nfs/dbraw/zinc/94/24/57/624942457.db2.gz NXXSMIIEXGHXCG-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN CCCCCNC(=O)[C@H](C)Sc1nccs1 ZINC000064661715 624954135 /nfs/dbraw/zinc/95/41/35/624954135.db2.gz AUHFNYSCWIAWFW-VIFPVBQESA-N 0 0 258.412 2.930 20 10 CFCDRN COc1ccc(CNC(=O)C(C)(C)C2CCC2)c(O)c1 ZINC000831032696 624954202 /nfs/dbraw/zinc/95/42/02/624954202.db2.gz IDAGWXIQAQRHHK-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCC1CCOCC1 ZINC000175506330 624954539 /nfs/dbraw/zinc/95/45/39/624954539.db2.gz JEQIJIFXRBOOTM-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000237558631 624963379 /nfs/dbraw/zinc/96/33/79/624963379.db2.gz GFRZLLBYKGCAAG-GXSJLCMTSA-N 0 0 250.298 2.579 20 10 CFCDRN Cc1cc(C(=O)Nc2ccc(N)cc2)nn1C(C)(C)C ZINC000237789239 624978343 /nfs/dbraw/zinc/97/83/43/624978343.db2.gz YXIGTFMIFKEYMB-UHFFFAOYSA-N 0 0 272.352 2.781 20 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000831925480 625178270 /nfs/dbraw/zinc/17/82/70/625178270.db2.gz YCZIQQITLDLMLR-YXCITZCRSA-N 0 0 289.375 2.581 20 10 CFCDRN C[C@@H](CN(C)C(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000831965847 625194902 /nfs/dbraw/zinc/19/49/02/625194902.db2.gz GZAZWVFXYCAYSU-NSHDSACASA-N 0 0 289.404 2.530 20 10 CFCDRN CC(C)CCc1cc(NC(=O)Cc2ccc(N)cc2)n[nH]1 ZINC000832046612 625212031 /nfs/dbraw/zinc/21/20/31/625212031.db2.gz HXQZQGGRJPEUSS-UHFFFAOYSA-N 0 0 286.379 2.762 20 10 CFCDRN CCN(C)c1ccc(CN(CC(F)F)C[C@@H](C)O)cc1 ZINC000832204732 625243699 /nfs/dbraw/zinc/24/36/99/625243699.db2.gz RMOFMIKAVUZMJN-GFCCVEGCSA-N 0 0 286.366 2.591 20 10 CFCDRN Cc1ccc(F)cc1/C=C1\SC(=S)N(C)C1=O ZINC000182076691 625255187 /nfs/dbraw/zinc/25/51/87/625255187.db2.gz JOMZHTASCVIEFA-POHAHGRESA-N 0 0 267.350 2.965 20 10 CFCDRN CCCN(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185631564 625751676 /nfs/dbraw/zinc/75/16/76/625751676.db2.gz BSYMQZJIKDWFIL-LBPRGKRZSA-N 0 0 268.376 2.914 20 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YIFAXQNBNWTFOS-ZDUSSCGKSA-N 0 0 287.787 2.748 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000834898959 625914070 /nfs/dbraw/zinc/91/40/70/625914070.db2.gz CWPXDOJSKGSBOJ-PKFCDNJMSA-N 0 0 285.334 2.872 20 10 CFCDRN Nc1ccc(NC(=O)C2CC3(CC3(F)F)C2)cc1 ZINC000851633602 634463004 /nfs/dbraw/zinc/46/30/04/634463004.db2.gz OLPJUXKSOFCCEJ-UHFFFAOYSA-N 0 0 252.264 2.643 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(F)cc1[O-] ZINC000834906437 625919484 /nfs/dbraw/zinc/91/94/84/625919484.db2.gz ZNXWCOMHCYWERV-JSGCOSHPSA-N 0 0 267.344 2.997 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000770664929 625947416 /nfs/dbraw/zinc/94/74/16/625947416.db2.gz AETBEZZGOZUWJT-KXMPLOMGSA-N 0 0 273.735 2.601 20 10 CFCDRN O=C(N[C@H]1CCOC12CCCCC2)C1=CC(=O)CS1 ZINC000888310215 625975409 /nfs/dbraw/zinc/97/54/09/625975409.db2.gz XPYDHMYGXKAPIS-LBPRGKRZSA-N 0 0 281.377 2.675 20 10 CFCDRN FC(F)n1ccnc1CNCc1ccc2c(c1)CCCO2 ZINC000921607594 625992916 /nfs/dbraw/zinc/99/29/16/625992916.db2.gz KIIPXWYRXNNXEZ-UHFFFAOYSA-N 0 0 293.317 2.893 20 10 CFCDRN CN(C[C@H]1CCc2ccccc21)C(=O)Cc1ccc(N)cc1 ZINC000851647399 634471383 /nfs/dbraw/zinc/47/13/83/634471383.db2.gz KPESZOMKGLCXFI-MRXNPFEDSA-N 0 0 294.398 3.000 20 10 CFCDRN CCC(C)(C)[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000851663259 634473875 /nfs/dbraw/zinc/47/38/75/634473875.db2.gz XDJJTFMQMPRECI-LBPRGKRZSA-N 0 0 277.412 2.935 20 10 CFCDRN Cc1cn(C)nc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929296161 626278283 /nfs/dbraw/zinc/27/82/83/626278283.db2.gz OLVXDYOWXSXJGK-UHFFFAOYSA-N 0 0 298.434 2.959 20 10 CFCDRN CCn1c2ccccc2nc1NC(=O)c1cccc(O)c1O ZINC000186836202 626400706 /nfs/dbraw/zinc/40/07/06/626400706.db2.gz UTZHAIAVCZNXRA-UHFFFAOYSA-N 0 0 297.314 2.720 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(O)c1O ZINC000187078693 626449243 /nfs/dbraw/zinc/44/92/43/626449243.db2.gz SOYTZQZBYMDMAD-QWHCGFSZSA-N 0 0 287.290 2.523 20 10 CFCDRN CC(C)n1cc(NC(=O)NCc2c(O)cccc2F)cn1 ZINC000923124149 626452163 /nfs/dbraw/zinc/45/21/63/626452163.db2.gz TYRKPKDHNKHTSN-UHFFFAOYSA-N 0 0 292.314 2.630 20 10 CFCDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(=O)[O-] ZINC000923245043 626459174 /nfs/dbraw/zinc/45/91/74/626459174.db2.gz AOYJIEKTGCHCMM-NHYWBVRUSA-N 0 0 278.396 2.650 20 10 CFCDRN Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1N(C)C ZINC000923248882 626459843 /nfs/dbraw/zinc/45/98/43/626459843.db2.gz MIUPGQSXUUUVRG-LRDDRELGSA-N 0 0 290.407 2.746 20 10 CFCDRN Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923250739 626459862 /nfs/dbraw/zinc/45/98/62/626459862.db2.gz TWXSXLRCNSSQLV-DOMZBBRYSA-N 0 0 290.407 2.604 20 10 CFCDRN CC[C@@H](NC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000923300458 626463912 /nfs/dbraw/zinc/46/39/12/626463912.db2.gz SMDNGLFNVBUYDG-GFCCVEGCSA-N 0 0 266.316 2.519 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]1C1CC1 ZINC000838485247 626499309 /nfs/dbraw/zinc/49/93/09/626499309.db2.gz FTERXXLOTQFDMT-KRWDZBQOSA-N 0 0 297.402 2.757 20 10 CFCDRN C[C@@H]1[C@@H](C)CN1C(=O)NCCCSc1nccs1 ZINC000838514089 626500059 /nfs/dbraw/zinc/50/00/59/626500059.db2.gz FHYRQJLAUYEXGC-VHSXEESVSA-N 0 0 285.438 2.675 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCCCSc1nccs1 ZINC000838515613 626500076 /nfs/dbraw/zinc/50/00/76/626500076.db2.gz XZOGQXSVSUWULJ-WDEREUQCSA-N 0 0 299.465 2.969 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@]2(C)C(C)C)c1O ZINC000838762521 626504938 /nfs/dbraw/zinc/50/49/38/626504938.db2.gz FJERQYIGPIYHJP-CZUORRHYSA-N 0 0 292.379 2.635 20 10 CFCDRN CCn1nncc1CN(CC(C)C)c1ccc(OC)cc1 ZINC000838880419 626510171 /nfs/dbraw/zinc/51/01/71/626510171.db2.gz RDIHMHCSOXJSSG-UHFFFAOYSA-N 0 0 288.395 2.969 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccn(C)n1 ZINC000840817541 626523151 /nfs/dbraw/zinc/52/31/51/626523151.db2.gz VOXYXEMVTNGBQD-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN COc1cc(Br)cc(CNCC(F)F)c1O ZINC000839092762 626524315 /nfs/dbraw/zinc/52/43/15/626524315.db2.gz ZLIAXRDRKVEDRB-UHFFFAOYSA-N 0 0 296.111 2.518 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)CN(C)C)c1[O-] ZINC000839093085 626524329 /nfs/dbraw/zinc/52/43/29/626524329.db2.gz YCEURLJJIBRRLE-UHFFFAOYSA-N 0 0 298.814 2.678 20 10 CFCDRN COCC1(C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000839144506 626526116 /nfs/dbraw/zinc/52/61/16/626526116.db2.gz XPSOBPVXXRVABU-UHFFFAOYSA-N 0 0 285.771 2.523 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000839191316 626530716 /nfs/dbraw/zinc/53/07/16/626530716.db2.gz NYYGTTWSKQOVHU-USWWRNFRSA-N 0 0 292.335 2.587 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCC[C@@H](C)O)CCC2 ZINC000839655450 626549665 /nfs/dbraw/zinc/54/96/65/626549665.db2.gz PKMDSBRPXTYOLV-GFCCVEGCSA-N 0 0 279.380 2.617 20 10 CFCDRN CN(CCOCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000757438047 626551985 /nfs/dbraw/zinc/55/19/85/626551985.db2.gz SOOKKYBDYMLJQD-UHFFFAOYSA-N 0 0 291.372 2.743 20 10 CFCDRN COc1ccc(N2CCN(C(=O)CC3(C)CC3)CC2)cc1 ZINC000757759126 626561921 /nfs/dbraw/zinc/56/19/21/626561921.db2.gz GKMRNNOEFMVBOV-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN O=C(OCCc1ccc(F)c(F)c1)c1cccc(O)c1O ZINC000758546238 626597915 /nfs/dbraw/zinc/59/79/15/626597915.db2.gz FFKHXYFOLCEAFS-UHFFFAOYSA-N 0 0 294.253 2.776 20 10 CFCDRN O=C(c1cnco1)N(Cc1ccco1)Cc1ccccc1O ZINC000759382232 626651988 /nfs/dbraw/zinc/65/19/88/626651988.db2.gz WXCHMDFIQWNGPF-UHFFFAOYSA-N 0 0 298.298 2.816 20 10 CFCDRN Cc1cccc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000759581291 626673145 /nfs/dbraw/zinc/67/31/45/626673145.db2.gz VAAFMTGUCFEPHY-VURMDHGXSA-N 0 0 285.299 2.558 20 10 CFCDRN CC1(C)CCN1C(=O)NCCCSc1nccs1 ZINC000759591160 626674335 /nfs/dbraw/zinc/67/43/35/626674335.db2.gz WNZNLFGGGYRJFA-UHFFFAOYSA-N 0 0 285.438 2.819 20 10 CFCDRN Cc1cnc([C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000759592290 626674386 /nfs/dbraw/zinc/67/43/86/626674386.db2.gz FFCXGDNIBUWQAQ-DFVUYQKZSA-N 0 0 289.287 2.712 20 10 CFCDRN CCOc1ccc(N(CC)CCCCS(C)(=O)=O)cc1 ZINC000759696100 626684829 /nfs/dbraw/zinc/68/48/29/626684829.db2.gz FJDCSOOPRJNOPX-UHFFFAOYSA-N 0 0 299.436 2.736 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC2(C)CC2)cc1 ZINC000760079231 626712591 /nfs/dbraw/zinc/71/25/91/626712591.db2.gz KEZPUFYXHKEBMX-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cnc(C2CCC2)s1 ZINC000760209698 626719638 /nfs/dbraw/zinc/71/96/38/626719638.db2.gz DIUGXPSQDTVTEW-XBXARRHUSA-N 0 0 282.415 2.899 20 10 CFCDRN Cc1cc(C=C2SC(=S)NC2=O)cnc1Cl ZINC000760211738 626720079 /nfs/dbraw/zinc/72/00/79/626720079.db2.gz PPORJGBQPAYAJQ-XVNBXDOJSA-N 0 0 270.766 2.532 20 10 CFCDRN CCCC1(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000760301741 626731779 /nfs/dbraw/zinc/73/17/79/626731779.db2.gz XTMPXZMOVKMPCV-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN COc1nc(C)cc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000760511534 626751865 /nfs/dbraw/zinc/75/18/65/626751865.db2.gz YHTHWOOPBKQJPC-UHFFFAOYSA-N 0 0 290.342 2.611 20 10 CFCDRN O=C(NCCCSc1nccs1)C1=CCCC1 ZINC000760586573 626757661 /nfs/dbraw/zinc/75/76/61/626757661.db2.gz YPHYICCYYYRAOM-UHFFFAOYSA-N 0 0 268.407 2.852 20 10 CFCDRN Cc1cccc2c1CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000760922895 626784662 /nfs/dbraw/zinc/78/46/62/626784662.db2.gz VUYLUKVIAPUCCG-UHFFFAOYSA-N 0 0 273.357 2.961 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)ccc2O)cc1OC ZINC000761221419 626816644 /nfs/dbraw/zinc/81/66/44/626816644.db2.gz KLPYIRADZOYWCS-UHFFFAOYSA-N 0 0 288.347 2.749 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]c2cccc(F)c12 ZINC000761956940 626874387 /nfs/dbraw/zinc/87/43/87/626874387.db2.gz MCCAATKMZDLEEQ-UHFFFAOYSA-N 0 0 284.290 2.943 20 10 CFCDRN CCC/C=C\C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761972320 626876240 /nfs/dbraw/zinc/87/62/40/626876240.db2.gz ISPOTDVFYFNMIW-JMEBYUIHSA-N 0 0 263.337 2.934 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCCC1 ZINC000762268153 626908390 /nfs/dbraw/zinc/90/83/90/626908390.db2.gz BGKRAGHRSAEYRB-NSHDSACASA-N 0 0 277.364 2.583 20 10 CFCDRN C[C@@H]1COCC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000762485793 626919463 /nfs/dbraw/zinc/91/94/63/626919463.db2.gz KRVHRHBSZJEQJU-KCJUWKMLSA-N 0 0 273.735 2.699 20 10 CFCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000839794673 626921731 /nfs/dbraw/zinc/92/17/31/626921731.db2.gz ZWOAWKHCYCYJFR-GHMZBOCLSA-N 0 0 269.366 2.531 20 10 CFCDRN CCC[C@](C)(NCc1ccc(OCC)cc1O)C(=O)OC ZINC000762791443 626937678 /nfs/dbraw/zinc/93/76/78/626937678.db2.gz WPBNZRAYNPTHEV-INIZCTEOSA-N 0 0 295.379 2.612 20 10 CFCDRN CNC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C ZINC000008042104 634537097 /nfs/dbraw/zinc/53/70/97/634537097.db2.gz YCEJRHWKIQYPKU-UHFFFAOYSA-N 0 0 275.377 2.544 20 10 CFCDRN Fc1ccc(CNC(=S)Nc2ccc(F)cc2F)nc1 ZINC000763164103 626967760 /nfs/dbraw/zinc/96/77/60/626967760.db2.gz MQLZCLOYIUBVIL-UHFFFAOYSA-N 0 0 297.305 2.986 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)c(Cl)c2)on1 ZINC000851809707 634543018 /nfs/dbraw/zinc/54/30/18/634543018.db2.gz XTFOUFINNXUYCD-UHFFFAOYSA-N 0 0 282.727 2.982 20 10 CFCDRN CCO[C@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)C12CCC2 ZINC000764341311 627052162 /nfs/dbraw/zinc/05/21/62/627052162.db2.gz GBVREECAQRTQHN-STQMWFEESA-N 0 0 295.404 2.873 20 10 CFCDRN Cc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cn1 ZINC000764890997 627104779 /nfs/dbraw/zinc/10/47/79/627104779.db2.gz IFGWBRLHNHJPOJ-WDZFZDKYSA-N 0 0 276.386 2.754 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C(C)(C)C ZINC000764895437 627105318 /nfs/dbraw/zinc/10/53/18/627105318.db2.gz RCKOLPOOFWRDCF-OAHLLOKOSA-N 0 0 292.423 2.508 20 10 CFCDRN CCN(C[C@@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851827231 634549764 /nfs/dbraw/zinc/54/97/64/634549764.db2.gz DBROKACVHHWZAQ-CYBMUJFWSA-N 0 0 295.379 2.682 20 10 CFCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000765320748 627130711 /nfs/dbraw/zinc/13/07/11/627130711.db2.gz SNIXTIODHZIUBJ-NSHDSACASA-N 0 0 291.376 2.771 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2ccnn2C)cc1 ZINC000768209008 627326183 /nfs/dbraw/zinc/32/61/83/627326183.db2.gz WVYHINRCMQLJPL-UHFFFAOYSA-N 0 0 286.423 2.898 20 10 CFCDRN CN(Cc1cc(C2CC2)no1)c1ccc2c(c1)OCO2 ZINC000851868484 634565314 /nfs/dbraw/zinc/56/53/14/634565314.db2.gz RXCMUQKCWJAUOC-UHFFFAOYSA-N 0 0 272.304 2.917 20 10 CFCDRN COc1cc(CN(CC(F)F)C2CC2)c(O)cc1C ZINC000768453432 627343921 /nfs/dbraw/zinc/34/39/21/627343921.db2.gz XGNHDRSMQAYYSF-UHFFFAOYSA-N 0 0 271.307 2.939 20 10 CFCDRN CN(Cc1ccon1)Cc1cc2c(cc1O)CCCC2 ZINC000768446325 627344261 /nfs/dbraw/zinc/34/42/61/627344261.db2.gz MUMMFUIFPDOZBS-UHFFFAOYSA-N 0 0 272.348 2.891 20 10 CFCDRN CCOC(=O)[C@@H](NCc1cccc(C)c1O)C(C)(C)C ZINC000768523763 627350272 /nfs/dbraw/zinc/35/02/72/627350272.db2.gz ICXGJUKQUGKLCM-CQSZACIVSA-N 0 0 279.380 2.768 20 10 CFCDRN CC(C)O[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1(C)C ZINC000768735156 627367324 /nfs/dbraw/zinc/36/73/24/627367324.db2.gz POGJISSYTUCQIC-RYUDHWBXSA-N 0 0 283.393 2.776 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\C2CC2)c1 ZINC000768909889 627386007 /nfs/dbraw/zinc/38/60/07/627386007.db2.gz CGTILZFHOGLIPD-NVDWLVSRSA-N 0 0 261.321 2.544 20 10 CFCDRN C[C@@H](CCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000768952679 627389841 /nfs/dbraw/zinc/38/98/41/627389841.db2.gz NLDQLXYLWXHYSM-JTQLQIEISA-N 0 0 264.325 2.969 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCC(C)(C)C2)c1O ZINC000769030549 627397163 /nfs/dbraw/zinc/39/71/63/627397163.db2.gz UJWSRPYTVNWJOR-LBPRGKRZSA-N 0 0 292.379 2.779 20 10 CFCDRN CO[C@@](C)(C(=O)NCc1ccccc1O)c1ccccc1 ZINC000769363216 627428545 /nfs/dbraw/zinc/42/85/45/627428545.db2.gz QVIDFCMXVWICNZ-QGZVFWFLSA-N 0 0 285.343 2.570 20 10 CFCDRN C[C@@H]1N(Cc2ccc(N(C)C)c(F)c2)CCOC1(C)C ZINC000769451754 627440999 /nfs/dbraw/zinc/44/09/99/627440999.db2.gz NJUUXZSLLILHNF-LBPRGKRZSA-N 0 0 280.387 2.891 20 10 CFCDRN COc1cccc(O)c1C[N@H+](C)CCOC(C)(C)C ZINC000769514471 627449858 /nfs/dbraw/zinc/44/98/58/627449858.db2.gz HPCFVLRPHHKYDB-UHFFFAOYSA-N 0 0 267.369 2.648 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nc(C)oc2C)c1 ZINC000851899701 634579056 /nfs/dbraw/zinc/57/90/56/634579056.db2.gz CTVUICYDFDLBPA-SECBINFHSA-N 0 0 276.336 2.856 20 10 CFCDRN Cc1cnc([C@H](C)OC(=O)C2=CC(=O)CS2)o1 ZINC000770969773 627565194 /nfs/dbraw/zinc/56/51/94/627565194.db2.gz MRIXKOKYBNCSTH-ZETCQYMHSA-N 0 0 253.279 2.668 20 10 CFCDRN C[C@@H](Cc1cccc(O)c1)NC(=O)C1=CC(=O)CS1 ZINC000771048415 627573105 /nfs/dbraw/zinc/57/31/05/627573105.db2.gz HCGXJSDCIWQTCM-VIFPVBQESA-N 0 0 277.345 2.520 20 10 CFCDRN O=C(NCCC[C@@H]1CCCC[C@H]1O)C1=CC(=O)CS1 ZINC000771062755 627573919 /nfs/dbraw/zinc/57/39/19/627573919.db2.gz KDLLFRKEHVWRQI-CMPLNLGQSA-N 0 0 283.393 2.515 20 10 CFCDRN Cc1cc(C)n(-c2cncc(NCc3ccccc3O)n2)n1 ZINC000771185008 627583254 /nfs/dbraw/zinc/58/32/54/627583254.db2.gz YYXHEBBXSGOGPE-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000771529885 627611800 /nfs/dbraw/zinc/61/18/00/627611800.db2.gz ZNZSGOBKFGXEKU-NSHDSACASA-N 0 0 274.368 2.637 20 10 CFCDRN Oc1ccccc1CN(Cc1cn[nH]c1)Cc1ccco1 ZINC000771924823 627648925 /nfs/dbraw/zinc/64/89/25/627648925.db2.gz QJSAKGIRIXUQAF-UHFFFAOYSA-N 0 0 283.331 2.911 20 10 CFCDRN C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(N(C)C)cc1 ZINC000772294788 627698639 /nfs/dbraw/zinc/69/86/39/627698639.db2.gz FGODCQTWZUASFH-LLVKDONJSA-N 0 0 296.378 2.602 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)O1 ZINC000772998281 627766161 /nfs/dbraw/zinc/76/61/61/627766161.db2.gz IWUVZWIBBCUMIR-MAZHCROVSA-N 0 0 290.407 2.887 20 10 CFCDRN COCCC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772999811 627767046 /nfs/dbraw/zinc/76/70/46/627767046.db2.gz MNIQGOJGQDRRBM-ZDUSSCGKSA-N 0 0 292.423 2.993 20 10 CFCDRN C[C@H](NC(=O)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000773013093 627768222 /nfs/dbraw/zinc/76/82/22/627768222.db2.gz IDSVOWBQHTXGBX-LBPRGKRZSA-N 0 0 269.348 2.639 20 10 CFCDRN C[C@@H](NC(=O)CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000773009725 627768421 /nfs/dbraw/zinc/76/84/21/627768421.db2.gz QHUXIMWGNSNTIU-CQSZACIVSA-N 0 0 297.402 2.958 20 10 CFCDRN C[C@@H](OCC1CC1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773012507 627768563 /nfs/dbraw/zinc/76/85/63/627768563.db2.gz CINVJKZQFSMBHQ-QWHCGFSZSA-N 0 0 290.407 2.745 20 10 CFCDRN CS[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016196 627769237 /nfs/dbraw/zinc/76/92/37/627769237.db2.gz RVDPBMRNOZFXQH-MNOVXSKESA-N 0 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/nfs/dbraw/zinc/11/72/31/628117231.db2.gz CHLBURXHSWQTSI-SNVBAGLBSA-N 0 0 261.724 2.699 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOC1CCC1 ZINC000776222293 628118715 /nfs/dbraw/zinc/11/87/15/628118715.db2.gz FBLWLKACWVZOQK-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776222003 628118739 /nfs/dbraw/zinc/11/87/39/628118739.db2.gz BPUSXCSOGVZBGN-CQSZACIVSA-N 0 0 299.729 2.775 20 10 CFCDRN C[C@H](NC(=O)N1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000776244107 628121370 /nfs/dbraw/zinc/12/13/70/628121370.db2.gz FCWOUVIJOJPPSK-NSHDSACASA-N 0 0 297.349 2.864 20 10 CFCDRN Oc1ccc2ccncc2c1CN1CCC(F)(F)C1 ZINC000776293067 628127500 /nfs/dbraw/zinc/12/75/00/628127500.db2.gz PPCRRBUCXXMNAQ-UHFFFAOYSA-N 0 0 264.275 2.781 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000776310925 628130403 /nfs/dbraw/zinc/13/04/03/628130403.db2.gz OCMZDCJJEMEHTI-WCQYABFASA-N 0 0 278.371 2.944 20 10 CFCDRN Cc1cccc(CNc2ccc3c(c2)oc(=O)n3C)c1O ZINC000777495326 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/nfs/dbraw/zinc/33/97/26/628339726.db2.gz RVJAMKQBMMSDGJ-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN CN(CC1(O)CCCCCC1)C(=O)C1=CC(=O)CS1 ZINC000779476247 628384452 /nfs/dbraw/zinc/38/44/52/628384452.db2.gz ZUSFWMULGWXTED-UHFFFAOYSA-N 0 0 283.393 2.611 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000779482866 628384546 /nfs/dbraw/zinc/38/45/46/628384546.db2.gz HMEAAJFRVIAHGJ-RJXMKIDGSA-N 0 0 295.338 2.783 20 10 CFCDRN Cc1ccsc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779503850 628385753 /nfs/dbraw/zinc/38/57/53/628385753.db2.gz VDOZQWRUUYKAPN-HWKANZROSA-N 0 0 289.356 2.797 20 10 CFCDRN CC[C@@]1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779527944 628386252 /nfs/dbraw/zinc/38/62/52/628386252.db2.gz NDWYUUSGTGQNGT-WRLNGNIRSA-N 0 0 275.348 2.760 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000779538626 628386881 /nfs/dbraw/zinc/38/68/81/628386881.db2.gz XIKSHTHXTNMOMA-DUMNWFOQSA-N 0 0 297.301 2.805 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806148271 628391288 /nfs/dbraw/zinc/39/12/88/628391288.db2.gz FAARGQHKZGHIBQ-JOYOIKCWSA-N 0 0 255.745 2.875 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2=CCC2)cc1 ZINC000779854433 628414351 /nfs/dbraw/zinc/41/43/51/628414351.db2.gz DSXVIPFFZUQOQY-UHFFFAOYSA-N 0 0 258.365 2.869 20 10 CFCDRN CN(Cc1cn2cccc(F)c2n1)c1ccc2c(c1)OCO2 ZINC000780778906 628496562 /nfs/dbraw/zinc/49/65/62/628496562.db2.gz XHWRKPDBNIGSIO-UHFFFAOYSA-N 0 0 299.305 2.839 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)c(O)c1O ZINC000780855947 628500039 /nfs/dbraw/zinc/50/00/39/628500039.db2.gz NNAOVGAVIIHSGZ-AWEZNQCLSA-N 0 0 297.354 2.694 20 10 CFCDRN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892912 628502936 /nfs/dbraw/zinc/50/29/36/628502936.db2.gz RDVKHTHAJLZRSE-WDEREUQCSA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000780911753 628504428 /nfs/dbraw/zinc/50/44/28/628504428.db2.gz QPPVSSGZUJJHID-UHFFFAOYSA-N 0 0 299.370 2.996 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(O)c1O ZINC000780936365 628505834 /nfs/dbraw/zinc/50/58/34/628505834.db2.gz BEGSOUJODUROSS-SUZMYJTESA-N 0 0 277.364 2.961 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)c(O)c1O ZINC000780944993 628507077 /nfs/dbraw/zinc/50/70/77/628507077.db2.gz ZDGVCXCMTPGBMN-SNVBAGLBSA-N 0 0 265.353 2.818 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c(O)c1O ZINC000780950035 628507554 /nfs/dbraw/zinc/50/75/54/628507554.db2.gz JLCPGPOSQLNOLY-RDTXWAMCSA-N 0 0 297.354 2.866 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c(O)c1O ZINC000780983625 628510812 /nfs/dbraw/zinc/51/08/12/628510812.db2.gz FTCOXMYEJVMICC-SECBINFHSA-N 0 0 285.290 2.714 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C=CCC1 ZINC000852138725 634668871 /nfs/dbraw/zinc/66/88/71/634668871.db2.gz SAMYGNPAWHNKJS-OAHLLOKOSA-N 0 0 283.375 2.581 20 10 CFCDRN CC[C@H](N[C@H](C)c1ncn(C)n1)c1cc(Cl)ccc1O ZINC000783297206 628698386 /nfs/dbraw/zinc/69/83/86/628698386.db2.gz GCDXENDRXLLPIV-SKDRFNHKSA-N 0 0 294.786 2.976 20 10 CFCDRN CC(C)C[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783422663 628706993 /nfs/dbraw/zinc/70/69/93/628706993.db2.gz LNMBMPROBNKTQI-NSHDSACASA-N 0 0 294.347 2.896 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783596613 628724995 /nfs/dbraw/zinc/72/49/95/628724995.db2.gz YZWSMRYYKIZAKI-UHFFFAOYSA-N 0 0 267.756 2.658 20 10 CFCDRN CCc1cnc(/C=C2\SC(=S)N(CC)C2=O)s1 ZINC000783697161 628736028 /nfs/dbraw/zinc/73/60/28/628736028.db2.gz NFKFUPNOBZFKML-YVMONPNESA-N 0 0 284.431 2.927 20 10 CFCDRN CN(C)c1ccc(CN2CCc3ncsc3C2)cc1F ZINC000783745546 628741133 /nfs/dbraw/zinc/74/11/33/628741133.db2.gz NSXNMEHYIZDJJY-UHFFFAOYSA-N 0 0 291.395 2.907 20 10 CFCDRN COCCSCCCN(C)c1ccc2c(c1)OCO2 ZINC000785764052 628911847 /nfs/dbraw/zinc/91/18/47/628911847.db2.gz OLPRMQSTZFXIEH-UHFFFAOYSA-N 0 0 283.393 2.621 20 10 CFCDRN CC[C@]1(C)CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000785983676 628927696 /nfs/dbraw/zinc/92/76/96/628927696.db2.gz BFCNWMQKVCMPHR-MRXNPFEDSA-N 0 0 280.387 2.893 20 10 CFCDRN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000786578876 628969454 /nfs/dbraw/zinc/96/94/54/628969454.db2.gz KOKQJJWXHHANIS-YUMQZZPRSA-N 0 0 261.724 2.698 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1(C(F)(F)F)CC1 ZINC000805813061 628970964 /nfs/dbraw/zinc/97/09/64/628970964.db2.gz CQSMIKQFFHQRFU-UHFFFAOYSA-N 0 0 288.269 2.534 20 10 CFCDRN CCOc1ccc(N(C)C[C@H](O)CC(F)(F)F)cc1 ZINC000787252393 629002237 /nfs/dbraw/zinc/00/22/37/629002237.db2.gz WKGZSVUGYQTKGN-LLVKDONJSA-N 0 0 277.286 2.835 20 10 CFCDRN COc1cc(N(C)CCC(C)(C)OC)cc(OC)c1OC ZINC000787254441 629002449 /nfs/dbraw/zinc/00/24/49/629002449.db2.gz YBBCZIKDQRKGJO-UHFFFAOYSA-N 0 0 297.395 2.964 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787284717 629004001 /nfs/dbraw/zinc/00/40/01/629004001.db2.gz WBBSGOMMKVAFID-URLYPYJESA-N 0 0 297.449 2.723 20 10 CFCDRN CCOC(CC[NH2+]Cc1cccc(Cl)c1[O-])OCC ZINC000787433551 629012955 /nfs/dbraw/zinc/01/29/55/629012955.db2.gz OZKOGXNJTHOELQ-UHFFFAOYSA-N 0 0 287.787 2.924 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1(C)CCCC1 ZINC000787856862 629039570 /nfs/dbraw/zinc/03/95/70/629039570.db2.gz CRMJBEJKKLFOIA-VURMDHGXSA-N 0 0 275.348 2.902 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000805864031 629060916 /nfs/dbraw/zinc/06/09/16/629060916.db2.gz DYRMTIRKSDAPSO-GBIKHYSHSA-N 0 0 278.352 2.560 20 10 CFCDRN COc1nn(C)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000788983816 629114101 /nfs/dbraw/zinc/11/41/01/629114101.db2.gz HNFXOAHQNHCXMF-SCZZXKLOSA-N 0 0 291.326 2.934 20 10 CFCDRN C[C@H](Cc1cccs1)NC(=O)c1c(F)ccc(O)c1O ZINC000789971103 629200826 /nfs/dbraw/zinc/20/08/26/629200826.db2.gz NOTWAIFDZSOFBP-MRVPVSSYSA-N 0 0 295.335 2.659 20 10 CFCDRN O=C(N[C@H]1C[C@H]1c1ccccc1)c1c(F)ccc(O)c1O ZINC000789972207 629200863 /nfs/dbraw/zinc/20/08/63/629200863.db2.gz FAVVKLVBANOZES-JQWIXIFHSA-N 0 0 287.290 2.523 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)[C@@H](C)O ZINC000789989140 629202206 /nfs/dbraw/zinc/20/22/06/629202206.db2.gz KOEFKYZTQOYHCZ-OCCSQVGLSA-N 0 0 279.380 2.538 20 10 CFCDRN C[C@@H](CN(C)C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790629366 629253769 /nfs/dbraw/zinc/25/37/69/629253769.db2.gz HXMSWMPONACXKJ-LBPRGKRZSA-N 0 0 285.343 2.974 20 10 CFCDRN Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(O)c1O ZINC000790658639 629256019 /nfs/dbraw/zinc/25/60/19/629256019.db2.gz XGFOURXXZMOTHV-AWEZNQCLSA-N 0 0 283.327 2.824 20 10 CFCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1O ZINC000790704246 629258289 /nfs/dbraw/zinc/25/82/89/629258289.db2.gz OJKQQRRIOZLHBU-MEBBXXQBSA-N 0 0 283.327 2.761 20 10 CFCDRN COCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000790969288 629275714 /nfs/dbraw/zinc/27/57/14/629275714.db2.gz VBQPYHNAJWYZOQ-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000790974320 629275806 /nfs/dbraw/zinc/27/58/06/629275806.db2.gz SOZHLSHIVBCAOU-RKDXNWHRSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976877 629276568 /nfs/dbraw/zinc/27/65/68/629276568.db2.gz OJHYNYGIMVNWAN-RNCFNFMXSA-N 0 0 298.789 2.757 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCOC(C)(C)C2)cc1 ZINC000835026258 629322270 /nfs/dbraw/zinc/32/22/70/629322270.db2.gz SWTUFRURGAXOQI-WAYWQWQTSA-N 0 0 274.408 2.877 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCO[C@H](C(F)F)C2)cc1 ZINC000835048836 629348203 /nfs/dbraw/zinc/34/82/03/629348203.db2.gz ATGZXLLQEQZYIC-JZIMQPMSSA-N 0 0 296.361 2.732 20 10 CFCDRN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000792106690 629398091 /nfs/dbraw/zinc/39/80/91/629398091.db2.gz ZFPVDHJMCKMFCQ-OKILXGFUSA-N 0 0 285.391 2.755 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000792168043 629404889 /nfs/dbraw/zinc/40/48/89/629404889.db2.gz ZELJMXNYHPAOLM-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H](C)CC(C)C)c(O)c1 ZINC000793013579 629476590 /nfs/dbraw/zinc/47/65/90/629476590.db2.gz SJQQJPYCIKKTGW-LLVKDONJSA-N 0 0 280.368 2.635 20 10 CFCDRN COC(=O)C(C)(C)CCN(C)c1ccc(OC)c(OC)c1 ZINC000793075108 629483797 /nfs/dbraw/zinc/48/37/97/629483797.db2.gz QONHDPXAMKADLY-UHFFFAOYSA-N 0 0 295.379 2.729 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000793317708 629526042 /nfs/dbraw/zinc/52/60/42/629526042.db2.gz AZSLNEPKHXELIT-UHFFFAOYSA-N 0 0 284.762 2.536 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@@H]2CC[C@@H](C)C2)c1O ZINC000793457453 629551967 /nfs/dbraw/zinc/55/19/67/629551967.db2.gz BOGBYSXQQNXLMA-VXGBXAGGSA-N 0 0 292.379 2.636 20 10 CFCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793514573 629558527 /nfs/dbraw/zinc/55/85/27/629558527.db2.gz KWIFSJHFWKHYKD-MLGOLLRUSA-N 0 0 292.423 2.738 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2[nH]ccc2s1 ZINC000793689064 629586047 /nfs/dbraw/zinc/58/60/47/629586047.db2.gz IXUBCCUZLVMFBS-UHFFFAOYSA-N 0 0 288.328 2.571 20 10 CFCDRN CC[C@H](C)[C@H](OC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000793689992 629586125 /nfs/dbraw/zinc/58/61/25/629586125.db2.gz RLCDZAVOUHPALO-PGUXBMHVSA-N 0 0 295.379 2.639 20 10 CFCDRN CC1(C)C(CNC(=O)/C=C/c2ccc(O)c(O)c2)C1(C)C ZINC000794346936 629638375 /nfs/dbraw/zinc/63/83/75/629638375.db2.gz OHYUQDJMODKBPY-SOFGYWHQSA-N 0 0 289.375 2.909 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(Cl)o2)c(O)c1 ZINC000794370043 629640538 /nfs/dbraw/zinc/64/05/38/629640538.db2.gz LHNVFQCWRGYIKM-UHFFFAOYSA-N 0 0 281.695 2.577 20 10 CFCDRN Cc1nnc(CN(Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000794374549 629641545 /nfs/dbraw/zinc/64/15/45/629641545.db2.gz FOUGOAIZOLJSIG-UHFFFAOYSA-N 0 0 286.379 2.764 20 10 CFCDRN COc1ccc(CNC(=O)/C=C/C(C)(C)C)c(O)c1 ZINC000794380446 629642200 /nfs/dbraw/zinc/64/22/00/629642200.db2.gz ZOGKFRAFRRKEAL-BQYQJAHWSA-N 0 0 263.337 2.619 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000794388970 629642607 /nfs/dbraw/zinc/64/26/07/629642607.db2.gz DXRGDGBJMLEDSP-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2C=CCCC2)c(O)c1 ZINC000794387542 629642683 /nfs/dbraw/zinc/64/26/83/629642683.db2.gz KTHCJQBGJDXPQW-GFCCVEGCSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(O)c1 ZINC000794387324 629642739 /nfs/dbraw/zinc/64/27/39/629642739.db2.gz IZPPZOXODLHJHA-BBRMVZONSA-N 0 0 277.364 2.699 20 10 CFCDRN Cc1ccc(C(=O)N(CC2CC2)C2CCC2)c(O)c1O ZINC000794392185 629643274 /nfs/dbraw/zinc/64/32/74/629643274.db2.gz SILYQKVTEBECDI-UHFFFAOYSA-N 0 0 275.348 2.811 20 10 CFCDRN CCN(Cc1cc2c(cc1O)OCO2)[C@@H](C)C(F)(F)F ZINC000794678341 629673989 /nfs/dbraw/zinc/67/39/89/629673989.db2.gz JKJMVYYHSLABCW-QMMMGPOBSA-N 0 0 291.269 2.894 20 10 CFCDRN COc1ccc(CNc2ccc(C(F)(F)F)nn2)c(O)c1 ZINC000795290341 629757668 /nfs/dbraw/zinc/75/76/68/629757668.db2.gz RXASWMSPNNUBAW-UHFFFAOYSA-N 0 0 299.252 2.822 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)[C@H]1Cc2ccccc21 ZINC000795507687 629789708 /nfs/dbraw/zinc/78/97/08/629789708.db2.gz WQVUXKNLGPTRET-LBPRGKRZSA-N 0 0 288.324 2.520 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000796696050 629952220 /nfs/dbraw/zinc/95/22/20/629952220.db2.gz QUGATFBMDNUFPB-GJZGRUSLSA-N 0 0 280.387 2.912 20 10 CFCDRN CC[C@H](CCO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796779991 629965070 /nfs/dbraw/zinc/96/50/70/629965070.db2.gz RHQLAOAMYPKSRR-DGCLKSJQSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796779990 629965446 /nfs/dbraw/zinc/96/54/46/629965446.db2.gz RHQLAOAMYPKSRR-AAEUAGOBSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000796849684 629979005 /nfs/dbraw/zinc/97/90/05/629979005.db2.gz VOYWEOGIAGYXLV-JSGCOSHPSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000796876414 629983900 /nfs/dbraw/zinc/98/39/00/629983900.db2.gz AHFWNCWDPGSXDK-SKDRFNHKSA-N 0 0 255.333 2.731 20 10 CFCDRN CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796952970 629994481 /nfs/dbraw/zinc/99/44/81/629994481.db2.gz JXAXEULLONFSRC-GXFFZTMASA-N 0 0 255.333 2.997 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC(=O)OC(C)(C)C ZINC000797724361 630097838 /nfs/dbraw/zinc/09/78/38/630097838.db2.gz KWPMFOUPGNTBDK-UHFFFAOYSA-N 0 0 277.364 2.790 20 10 CFCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852595247 634789631 /nfs/dbraw/zinc/78/96/31/634789631.db2.gz HNAWBOQDGJPRFM-OAHLLOKOSA-N 0 0 275.396 2.740 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000798395182 630186485 /nfs/dbraw/zinc/18/64/85/630186485.db2.gz AQJFOSLINZAKJO-VXGBXAGGSA-N 0 0 262.353 2.628 20 10 CFCDRN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000798503619 630197388 /nfs/dbraw/zinc/19/73/88/630197388.db2.gz NPMBCAZTLVLAHS-WDEREUQCSA-N 0 0 264.325 2.826 20 10 CFCDRN Cc1c[nH]nc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000799413662 630307439 /nfs/dbraw/zinc/30/74/39/630307439.db2.gz XSZIOWLDGGFXIB-UHFFFAOYSA-N 0 0 298.390 2.638 20 10 CFCDRN O=C(NCCc1ccc2[nH]ccc2c1)C1=CC(=O)CS1 ZINC000799853007 630347921 /nfs/dbraw/zinc/34/79/21/630347921.db2.gz GBLNMGKHGAJOOP-UHFFFAOYSA-N 0 0 286.356 2.908 20 10 CFCDRN Cc1nnc(Sc2ncc([N+](=O)[O-])s2)n1C(C)C ZINC000799954191 630356444 /nfs/dbraw/zinc/35/64/44/630356444.db2.gz MRCGQNIIIGVVCF-UHFFFAOYSA-N 0 0 285.354 2.683 20 10 CFCDRN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)no1 ZINC000800311927 630370738 /nfs/dbraw/zinc/37/07/38/630370738.db2.gz UVBYVJVVTKUJAJ-LLVKDONJSA-N 0 0 258.321 2.769 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)NCc1ccccc1O ZINC000852690048 634809203 /nfs/dbraw/zinc/80/92/03/634809203.db2.gz RXBJGBHUYXOJGZ-UHFFFAOYSA-N 0 0 286.322 2.873 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000839916296 630400273 /nfs/dbraw/zinc/40/02/73/630400273.db2.gz RHWVNOVMKDYEQG-DVOMOZLQSA-N 0 0 274.408 2.764 20 10 CFCDRN CC[C@H](OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918526 630401597 /nfs/dbraw/zinc/40/15/97/630401597.db2.gz MPOLBORRSDVMOT-CJNGLKHVSA-N 0 0 292.423 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC(C)C ZINC000839919927 630403474 /nfs/dbraw/zinc/40/34/74/630403474.db2.gz XHYZLGXDHSQQLQ-CQSZACIVSA-N 0 0 292.423 2.533 20 10 CFCDRN COC(=O)c1sccc1COC(=O)C1=CC(=O)CS1 ZINC000801262402 630436470 /nfs/dbraw/zinc/43/64/70/630436470.db2.gz UTKUKNATGYRLHJ-UHFFFAOYSA-N 0 0 298.341 2.659 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2ccsc2)c(O)c1O ZINC000801438883 630447464 /nfs/dbraw/zinc/44/74/64/630447464.db2.gz NHWYJTVSHBFTLT-SECBINFHSA-N 0 0 277.345 2.959 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3cc(F)ccc32)c(O)c1O ZINC000801547249 630457003 /nfs/dbraw/zinc/45/70/03/630457003.db2.gz LKGUMSHLRNAPTA-UHFFFAOYSA-N 0 0 287.290 2.748 20 10 CFCDRN CCCC[N@H+](CC(=O)N[C@H](C)CC)Cc1ccccc1O ZINC000801599689 630462154 /nfs/dbraw/zinc/46/21/54/630462154.db2.gz ZFPVTRRGKBGOLL-CQSZACIVSA-N 0 0 292.423 2.909 20 10 CFCDRN CSc1cnc(NCc2ccc(N(C)C)cc2)nc1 ZINC000804332172 630672688 /nfs/dbraw/zinc/67/26/88/630672688.db2.gz YLJLWNVGAVBRDS-UHFFFAOYSA-N 0 0 274.393 2.877 20 10 CFCDRN C[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000040313525 649983839 /nfs/dbraw/zinc/98/38/39/649983839.db2.gz VYNDAIGZDWLKJI-ZDUSSCGKSA-N 0 0 268.360 2.731 20 10 CFCDRN CSc1cnc(N(C)Cc2ccccc2O)nc1 ZINC000804577437 630756960 /nfs/dbraw/zinc/75/69/60/630756960.db2.gz BKYFYTHEESBAPZ-UHFFFAOYSA-N 0 0 261.350 2.541 20 10 CFCDRN C[C@@H]([NH2+]CC1=CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000806178419 630780544 /nfs/dbraw/zinc/78/05/44/630780544.db2.gz TYHPJCFPFRDZFQ-SECBINFHSA-N 0 0 269.291 2.668 20 10 CFCDRN C[C@@H](F)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836405654 630811272 /nfs/dbraw/zinc/81/12/72/630811272.db2.gz KJCOYLDKVCUUQQ-VXGBXAGGSA-N 0 0 281.375 2.861 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc(C(F)(F)F)[nH]1 ZINC000806566007 630813667 /nfs/dbraw/zinc/81/36/67/630813667.db2.gz WIFNTSZXEMYZPE-HWKANZROSA-N 0 0 278.280 2.522 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCC(C)(F)F)ccc21 ZINC000836481268 630831007 /nfs/dbraw/zinc/83/10/07/630831007.db2.gz KMPARHRIPPRLGA-UHFFFAOYSA-N 0 0 297.349 2.523 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(F)F ZINC000836481082 630831018 /nfs/dbraw/zinc/83/10/18/630831018.db2.gz IMNAGVAFFGJGHZ-UHFFFAOYSA-N 0 0 285.338 2.515 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCC1(F)F ZINC000836604973 630857690 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ZINC000811804915 631623616 /nfs/dbraw/zinc/62/36/16/631623616.db2.gz FSNOLABRUJWFKB-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN CN(C)c1ccc(CNc2cc(NC3CC3)ncn2)cc1 ZINC000840238656 631632607 /nfs/dbraw/zinc/63/26/07/631632607.db2.gz GRSIQRSLNHCJPQ-UHFFFAOYSA-N 0 0 283.379 2.729 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC(C)C ZINC000840239042 631633878 /nfs/dbraw/zinc/63/38/78/631633878.db2.gz XYQBQQFBYODWPP-CQSZACIVSA-N 0 0 291.439 2.947 20 10 CFCDRN CCn1c(-c2ccoc2)nnc1N(C)Cc1ccccc1O ZINC000812029947 631654652 /nfs/dbraw/zinc/65/46/52/631654652.db2.gz HSDYPJWWPJDTFM-UHFFFAOYSA-N 0 0 298.346 2.900 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC000840245479 631654768 /nfs/dbraw/zinc/65/47/68/631654768.db2.gz VOORPJJRYYHSCV-HUUCEWRRSA-N 0 0 293.386 2.833 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(C(N)=O)c(F)c2)cc1 ZINC000812346465 631694215 /nfs/dbraw/zinc/69/42/15/631694215.db2.gz STHIKTHFENCSEV-UHFFFAOYSA-N 0 0 287.338 2.603 20 10 CFCDRN COC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000812448709 631719959 /nfs/dbraw/zinc/71/99/59/631719959.db2.gz CDUBVTRYCOGCQO-KBPBESRZSA-N 0 0 292.423 2.630 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ncccn1 ZINC000812493066 631726332 /nfs/dbraw/zinc/72/63/32/631726332.db2.gz VXPRSKIXVZQIJE-UHFFFAOYSA-N 0 0 299.374 2.554 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3C[C@H]3C)C2)cc1 ZINC000842876405 631771741 /nfs/dbraw/zinc/77/17/41/631771741.db2.gz SJBAGCXCYZJJPU-DVOMOZLQSA-N 0 0 289.375 2.721 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000842912711 631780732 /nfs/dbraw/zinc/78/07/32/631780732.db2.gz VCOMHLKNBWUHSL-YNEHKIRRSA-N 0 0 285.771 2.500 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000842916700 631781809 /nfs/dbraw/zinc/78/18/09/631781809.db2.gz MSMSQFJAZJCVSX-GMXVVIOVSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CCC(C)(C(=O)[O-])CC2)cc1C ZINC000843040610 631810069 /nfs/dbraw/zinc/81/00/69/631810069.db2.gz KPBLCEAWODZFCH-UHFFFAOYSA-N 0 0 277.364 2.696 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN(C1CC1)C1CC[NH2+]CC1 ZINC000843043869 631812361 /nfs/dbraw/zinc/81/23/61/631812361.db2.gz NHUOPPKZUGAKRS-UHFFFAOYSA-N 0 0 298.789 2.901 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CC3(C)C)ccc21 ZINC000840275682 631814695 /nfs/dbraw/zinc/81/46/95/631814695.db2.gz RMMNCNLFNGNRNW-HNNXBMFYSA-N 0 0 287.407 2.667 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843119307 631841611 /nfs/dbraw/zinc/84/16/11/631841611.db2.gz XIRGBMWAIIGZGK-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129493 631849134 /nfs/dbraw/zinc/84/91/34/631849134.db2.gz UZPAVYJSTHLJQT-CYBMUJFWSA-N 0 0 298.789 2.949 20 10 CFCDRN CS[C@H](C)CCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158436 631869553 /nfs/dbraw/zinc/86/95/53/631869553.db2.gz CRJHOQMKWZGATE-SNVBAGLBSA-N 0 0 277.393 2.927 20 10 CFCDRN C[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843158729 631870627 /nfs/dbraw/zinc/87/06/27/631870627.db2.gz INGJRPRJIPQEKX-CMPLNLGQSA-N 0 0 273.336 2.525 20 10 CFCDRN Nc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)cc1 ZINC000843159532 631871463 /nfs/dbraw/zinc/87/14/63/631871463.db2.gz SDEKZSSLVBXXIK-UHFFFAOYSA-N 0 0 296.330 2.776 20 10 CFCDRN Cc1noc(C)c1[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000155929961 650036905 /nfs/dbraw/zinc/03/69/05/650036905.db2.gz DYZGSVFYBRQWBR-JTQLQIEISA-N 0 0 288.347 2.759 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)c(F)c2)c1 ZINC000155956563 650038327 /nfs/dbraw/zinc/03/83/27/650038327.db2.gz ZLPRQNXPKLGCKA-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000813595124 631938238 /nfs/dbraw/zinc/93/82/38/631938238.db2.gz WSVXDSVNTTYXSQ-UHFFFAOYSA-N 0 0 299.374 2.855 20 10 CFCDRN CC[C@@H](C)C[C@H](NCc1cccc(C)c1O)C(=O)OC ZINC000843414741 631948186 /nfs/dbraw/zinc/94/81/86/631948186.db2.gz CAPNWZMGZWJWPA-RISCZKNCSA-N 0 0 279.380 2.768 20 10 CFCDRN CC[C@H](NCc1cccc(C)c1O)C(=O)OC(C)(C)C ZINC000843431210 631957556 /nfs/dbraw/zinc/95/75/56/631957556.db2.gz OMTNCKNKHCMSOU-ZDUSSCGKSA-N 0 0 279.380 2.911 20 10 CFCDRN Nc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489666 631967581 /nfs/dbraw/zinc/96/75/81/631967581.db2.gz JZAHNVMCJFHWQE-UHFFFAOYSA-N 0 0 296.370 2.783 20 10 CFCDRN CC[C@@H]([NH2+]Cc1snnc1C)c1ccc(F)cc1[O-] ZINC000813885704 631972057 /nfs/dbraw/zinc/97/20/57/631972057.db2.gz VYEIZCMLXJPMAG-LLVKDONJSA-N 0 0 281.356 2.932 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(F)CC1 ZINC000843606481 632001824 /nfs/dbraw/zinc/00/18/24/632001824.db2.gz DCWZOJQCNRBGOC-GFCCVEGCSA-N 0 0 278.371 2.610 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)cc2C)c1 ZINC000156203703 650048792 /nfs/dbraw/zinc/04/87/92/650048792.db2.gz NOBYPTOUWLHGSQ-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(C)cc1/C=C1/SC(=S)N(C)C1=O ZINC000814270020 632049522 /nfs/dbraw/zinc/04/95/22/632049522.db2.gz RTQGZXLDYOIULO-YRNVUSSQSA-N 0 0 279.386 2.835 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C2)cc1 ZINC000843770568 632053081 /nfs/dbraw/zinc/05/30/81/632053081.db2.gz YORWPJCVQGAENO-AWEZNQCLSA-N 0 0 288.391 2.518 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000844147060 632126771 /nfs/dbraw/zinc/12/67/71/632126771.db2.gz MSCRWXBJJUQGLJ-ONGXEEELSA-N 0 0 251.351 2.858 20 10 CFCDRN CCCc1noc(CN(C)c2ccc(OC)cc2)n1 ZINC000844352915 632176768 /nfs/dbraw/zinc/17/67/68/632176768.db2.gz CKROPINEGMYXNP-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000844353468 632177737 /nfs/dbraw/zinc/17/77/37/632177737.db2.gz OWWKUWUDMUVMID-OKILXGFUSA-N 0 0 290.407 2.921 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000844353469 632177978 /nfs/dbraw/zinc/17/79/78/632177978.db2.gz OWWKUWUDMUVMID-ZIAGYGMSSA-N 0 0 290.407 2.921 20 10 CFCDRN COc1ccc(N(C)CC[S@](=O)c2ccccc2)cc1 ZINC000844353244 632178007 /nfs/dbraw/zinc/17/80/07/632178007.db2.gz ITCVOTARRQRBDL-FQEVSTJZSA-N 0 0 289.400 2.939 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)Cc2ccccc2)cc1 ZINC000844353395 632178015 /nfs/dbraw/zinc/17/80/15/632178015.db2.gz VSPAKDNHNRYLLK-MRXNPFEDSA-N 0 0 271.360 2.735 20 10 CFCDRN COc1ccc(N(C)CCn2cc(Cl)cn2)cc1 ZINC000844354853 632178081 /nfs/dbraw/zinc/17/80/81/632178081.db2.gz IVIJWVRKSMLHDD-UHFFFAOYSA-N 0 0 265.744 2.682 20 10 CFCDRN COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2)cc1 ZINC000844353567 632178087 /nfs/dbraw/zinc/17/80/87/632178087.db2.gz YZYSRHWEJANQBJ-UHFFFAOYSA-N 0 0 298.386 2.790 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCc2ccc(C)cc2)cc1 ZINC000844353619 632178097 /nfs/dbraw/zinc/17/80/97/632178097.db2.gz SBSJCIYKFMVNNJ-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN Cc1ccc(C(=O)O[C@H]2CC[C@@H](C)C2)c(O)c1O ZINC000815199007 632228150 /nfs/dbraw/zinc/22/81/50/632228150.db2.gz CUVUBLGFDNGJBM-SCZZXKLOSA-N 0 0 250.294 2.752 20 10 CFCDRN Oc1ccc(Cl)cc1CNC(=S)NC1CCC1 ZINC000844584388 632254921 /nfs/dbraw/zinc/25/49/21/632254921.db2.gz SGLRXQIENUVDGO-UHFFFAOYSA-N 0 0 270.785 2.562 20 10 CFCDRN CC(C)(C)NC(=S)NCc1cc(Cl)ccc1O ZINC000844584033 632254980 /nfs/dbraw/zinc/25/49/80/632254980.db2.gz LQAROJLOWGLFGZ-UHFFFAOYSA-N 0 0 272.801 2.808 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815578857 632291132 /nfs/dbraw/zinc/29/11/32/632291132.db2.gz ZCQBHMUIGWHVQV-MRVPVSSYSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576472 632291190 /nfs/dbraw/zinc/29/11/90/632291190.db2.gz QXNVBIBAZZATTQ-NXEZZACHSA-N 0 0 288.313 2.766 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815580895 632291312 /nfs/dbraw/zinc/29/13/12/632291312.db2.gz SRFFYTXSRHCYKD-DTWKUNHWSA-N 0 0 277.286 2.833 20 10 CFCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000815633579 632302772 /nfs/dbraw/zinc/30/27/72/632302772.db2.gz RLQWQTNXENOBLF-RYUDHWBXSA-N 0 0 296.386 2.734 20 10 CFCDRN C[C@@H](F)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645414 632304581 /nfs/dbraw/zinc/30/45/81/632304581.db2.gz DVFFGHCTAIMOLO-RKDXNWHRSA-N 0 0 256.277 2.699 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000815650970 632305464 /nfs/dbraw/zinc/30/54/64/632305464.db2.gz GLICPRFKSWPIEG-SDBXPKJASA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C(C)C)cc1 ZINC000844853401 632323011 /nfs/dbraw/zinc/32/30/11/632323011.db2.gz HESRUTSVNGWNKY-CQSZACIVSA-N 0 0 292.423 2.882 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)CC(C)C)cc1 ZINC000844852872 632323047 /nfs/dbraw/zinc/32/30/47/632323047.db2.gz VNHHCEBIJJPCOA-UHFFFAOYSA-N 0 0 278.396 2.636 20 10 CFCDRN COc1cccc(CNC(=O)CC2CC(C)(C)C2)c1O ZINC000815834661 632325236 /nfs/dbraw/zinc/32/52/36/632325236.db2.gz SWHXUOKUNHZBIM-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 ZINC000815833890 632325291 /nfs/dbraw/zinc/32/52/91/632325291.db2.gz JHAWAODVFOZCDI-UBHUBRDASA-N 0 0 289.375 2.583 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 ZINC000815833891 632325404 /nfs/dbraw/zinc/32/54/04/632325404.db2.gz JHAWAODVFOZCDI-UXUKBGGZSA-N 0 0 289.375 2.583 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1O ZINC000105649512 632325408 /nfs/dbraw/zinc/32/54/08/632325408.db2.gz UPWRGSRGWXLDOR-LSDHHAIUSA-N 0 0 297.354 2.821 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844893201 632329369 /nfs/dbraw/zinc/32/93/69/632329369.db2.gz ZLPDULVEXYAXON-RKDXNWHRSA-N 0 0 268.744 2.501 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000844937879 632341994 /nfs/dbraw/zinc/34/19/94/632341994.db2.gz ZDUXWPULPKKUND-RDDDGLTNSA-N 0 0 287.718 2.622 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCCCO1 ZINC000844988870 632352859 /nfs/dbraw/zinc/35/28/59/632352859.db2.gz GTAOGJFNGCOVMQ-UHFFFAOYSA-N 0 0 291.395 2.688 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CC(C)(C)C1 ZINC000816028868 632358524 /nfs/dbraw/zinc/35/85/24/632358524.db2.gz PMMRXDGSNWQNGN-LLVKDONJSA-N 0 0 291.391 2.971 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NOC1CCCC1 ZINC000845092599 632367908 /nfs/dbraw/zinc/36/79/08/632367908.db2.gz RHUUVUVKMWHTOX-UHFFFAOYSA-N 0 0 284.743 2.719 20 10 CFCDRN COC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483189 632468336 /nfs/dbraw/zinc/46/83/36/632468336.db2.gz IVZMMQZXTJFJJP-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000816504250 632473872 /nfs/dbraw/zinc/47/38/72/632473872.db2.gz FMSRHPUWUFUBQD-LBPRGKRZSA-N 0 0 298.789 2.853 20 10 CFCDRN COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816516362 632476988 /nfs/dbraw/zinc/47/69/88/632476988.db2.gz CLUDEFNXQSDLGI-MLGOLLRUSA-N 0 0 299.370 2.786 20 10 CFCDRN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816517202 632477233 /nfs/dbraw/zinc/47/72/33/632477233.db2.gz IEJXZUGSSJCDCQ-SFHVURJKSA-N 0 0 299.370 2.930 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2ccccn2)cc1 ZINC000845666063 632511592 /nfs/dbraw/zinc/51/15/92/632511592.db2.gz BBOAXEBGPVJYBV-UHFFFAOYSA-N 0 0 271.364 2.663 20 10 CFCDRN CCO/C=C/C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000816922179 632535692 /nfs/dbraw/zinc/53/56/92/632535692.db2.gz SZIVUYFGJMNNTD-MDZDMXLPSA-N 0 0 294.370 2.838 20 10 CFCDRN COc1cccc(CNC(=O)CC2(CSC)CC2)c1O ZINC000845833405 632577299 /nfs/dbraw/zinc/57/72/99/632577299.db2.gz KXHHHIKRZSSXNV-UHFFFAOYSA-N 0 0 295.404 2.550 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1O ZINC000845834002 632577665 /nfs/dbraw/zinc/57/76/65/632577665.db2.gz PICDPKOFTVWYAS-ZIAGYGMSSA-N 0 0 289.375 2.843 20 10 CFCDRN CCc1ncc(CN(C)c2ccc(OC)cc2)cn1 ZINC000845997670 632610845 /nfs/dbraw/zinc/61/08/45/632610845.db2.gz BPKWNZZUDUCRHR-UHFFFAOYSA-N 0 0 257.337 2.684 20 10 CFCDRN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412111 632624292 /nfs/dbraw/zinc/62/42/92/632624292.db2.gz CZCPZPAHNAZUOX-ZJUUUORDSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000817413901 632625820 /nfs/dbraw/zinc/62/58/20/632625820.db2.gz DIFCIKVHAKIRIR-SCZZXKLOSA-N 0 0 273.735 2.530 20 10 CFCDRN CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[N@@H+]1C ZINC000817417127 632627375 /nfs/dbraw/zinc/62/73/75/632627375.db2.gz DQTVFPJPCILFIK-LLVKDONJSA-N 0 0 286.778 2.711 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CC3)cc1 ZINC000817428590 632631819 /nfs/dbraw/zinc/63/18/19/632631819.db2.gz PTESEEBYFGGOFP-HNNXBMFYSA-N 0 0 272.392 2.949 20 10 CFCDRN COc1cccc([C@@H](C)NCc2nn(C)cc2Cl)c1O ZINC000846170068 632653179 /nfs/dbraw/zinc/65/31/79/632653179.db2.gz VTVZBFLNUDZZQU-SECBINFHSA-N 0 0 295.770 2.639 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC12CC2 ZINC000817516737 632655878 /nfs/dbraw/zinc/65/58/78/632655878.db2.gz CIOOXEUMLHQCOF-HNNXBMFYSA-N 0 0 270.376 2.703 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000846185788 632656741 /nfs/dbraw/zinc/65/67/41/632656741.db2.gz XOMCMTYRZBHNQM-MJVIPROJSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)ccc1N(C)C ZINC000846276118 632681655 /nfs/dbraw/zinc/68/16/55/632681655.db2.gz NNEKIWAFJIELEN-UHFFFAOYSA-N 0 0 290.407 2.748 20 10 CFCDRN CCCCO[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473582 632715475 /nfs/dbraw/zinc/71/54/75/632715475.db2.gz UFXVJORTOFZPMR-JTQLQIEISA-N 0 0 285.771 2.867 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CC23CCSCC3)cc1 ZINC000817868244 632715843 /nfs/dbraw/zinc/71/58/43/632715843.db2.gz QJOCQXOQSBLHEI-LLVKDONJSA-N 0 0 291.420 2.924 20 10 CFCDRN CC[C@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474739 632716718 /nfs/dbraw/zinc/71/67/18/632716718.db2.gz BDABBGXEGZUNMF-WCQYABFASA-N 0 0 283.755 2.619 20 10 CFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)(F)F ZINC000846477205 632717198 /nfs/dbraw/zinc/71/71/98/632717198.db2.gz QTBPAYQOMNXMNV-ZETCQYMHSA-N 0 0 277.698 2.953 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCS1 ZINC000846477958 632718299 /nfs/dbraw/zinc/71/82/99/632718299.db2.gz YDMBFVMDMTZBSH-LLVKDONJSA-N 0 0 271.769 2.557 20 10 CFCDRN COCCC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846478074 632718517 /nfs/dbraw/zinc/71/85/17/632718517.db2.gz YZISVOMSPFLWLC-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN C[C@@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)cc1 ZINC000817966407 632765363 /nfs/dbraw/zinc/76/53/63/632765363.db2.gz NEDIQNTWCWPBJM-CYBMUJFWSA-N 0 0 297.393 2.922 20 10 CFCDRN COc1cncc(NCc2ccc(N(C)C)cc2)c1 ZINC000846745221 632782028 /nfs/dbraw/zinc/78/20/28/632782028.db2.gz FXFJVNZXGXFVKB-UHFFFAOYSA-N 0 0 257.337 2.768 20 10 CFCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000846874747 632829080 /nfs/dbraw/zinc/82/90/80/632829080.db2.gz ASPXBDLFUZBKPF-UHFFFAOYSA-N 0 0 288.347 2.593 20 10 CFCDRN CC(C)c1ncc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000818545302 632863452 /nfs/dbraw/zinc/86/34/52/632863452.db2.gz WVAYJPIFXRIZTN-UHFFFAOYSA-N 0 0 289.404 2.821 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000818630493 632884674 /nfs/dbraw/zinc/88/46/74/632884674.db2.gz MSRJSOKNMRHSRV-ZDUSSCGKSA-N 0 0 265.353 2.537 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000818630492 632885460 /nfs/dbraw/zinc/88/54/60/632885460.db2.gz MSRJSOKNMRHSRV-CYBMUJFWSA-N 0 0 265.353 2.537 20 10 CFCDRN CC(C)(C)O[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000847303107 632969903 /nfs/dbraw/zinc/96/99/03/632969903.db2.gz UOTYQZNFZZPUFW-JOCQHMNTSA-N 0 0 292.379 2.538 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(C2CC2)c1 ZINC000847590268 633006463 /nfs/dbraw/zinc/00/64/63/633006463.db2.gz VQSFKCSUNVFQDM-UHFFFAOYSA-N 0 0 297.354 2.948 20 10 CFCDRN CCC(CC)(CO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000847761194 633069047 /nfs/dbraw/zinc/06/90/47/633069047.db2.gz QRHMCTHMOVQVGB-ZDUSSCGKSA-N 0 0 292.423 2.729 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@H]2C)c1 ZINC000819398344 633147691 /nfs/dbraw/zinc/14/76/91/633147691.db2.gz LEVKDXAHXMCXSV-RISCZKNCSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nnc(C)c(C)n1 ZINC000840384663 633165149 /nfs/dbraw/zinc/16/51/49/633165149.db2.gz NTDAETMNOCUNKV-LBPRGKRZSA-N 0 0 299.422 2.906 20 10 CFCDRN CC(C)COC[C@H](O)CNc1ccccc1OCC1CC1 ZINC000819452841 633167238 /nfs/dbraw/zinc/16/72/38/633167238.db2.gz VMWWCHVZNQDXCZ-OAHLLOKOSA-N 0 0 293.407 2.921 20 10 CFCDRN CCOCC[C@H](O)CNc1ccccc1OCC(F)F ZINC000819460515 633169833 /nfs/dbraw/zinc/16/98/33/633169833.db2.gz PBUYBOUOGHMTGA-NSHDSACASA-N 0 0 289.322 2.530 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)=C1CCC1 ZINC000819483456 633177939 /nfs/dbraw/zinc/17/79/39/633177939.db2.gz BAAOJBHKJHVPNG-SECBINFHSA-N 0 0 279.311 2.553 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1CO ZINC000857060505 635921169 /nfs/dbraw/zinc/92/11/69/635921169.db2.gz AMMZXLYXGIMRNT-VHSXEESVSA-N 0 0 287.762 2.635 20 10 CFCDRN O=C(NC[C@@H]1CCC2(CCCC2)O1)C1=CC(=O)CS1 ZINC000848392369 633247351 /nfs/dbraw/zinc/24/73/51/633247351.db2.gz OFYBRGDZCFQLPE-NSHDSACASA-N 0 0 281.377 2.675 20 10 CFCDRN COc1ccc(OC)c([C@H](O)CSc2nccs2)c1 ZINC000848432000 633258718 /nfs/dbraw/zinc/25/87/18/633258718.db2.gz WSWXIUJPKDXKSL-LLVKDONJSA-N 0 0 297.401 2.986 20 10 CFCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 ZINC000848595050 633297558 /nfs/dbraw/zinc/29/75/58/633297558.db2.gz RPIDYOYRKHYVIA-ZIAGYGMSSA-N 0 0 277.368 2.738 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000848595127 633297611 /nfs/dbraw/zinc/29/76/11/633297611.db2.gz SZPFWLYUOLXRDE-OAHLLOKOSA-N 0 0 289.379 2.834 20 10 CFCDRN CCc1cccc(CN[C@@H](C)C(=O)OCC(C)C)c1O ZINC000848904993 633392007 /nfs/dbraw/zinc/39/20/07/633392007.db2.gz DGZNJPDLSXEWTP-LBPRGKRZSA-N 0 0 279.380 2.632 20 10 CFCDRN CCc1cccc(CN[C@@H](C)C(=O)OC2CCCC2)c1O ZINC000848905906 633392690 /nfs/dbraw/zinc/39/26/90/633392690.db2.gz MGUKCMKHUWVERC-LBPRGKRZSA-N 0 0 291.391 2.919 20 10 CFCDRN CCc1cccc(CN2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1O ZINC000848911216 633396852 /nfs/dbraw/zinc/39/68/52/633396852.db2.gz RZNGIKVZRSBGLL-LCMPSIMXSA-N 0 0 295.448 2.686 20 10 CFCDRN CCc1cccc(CNCc2nnc(C(C)(C)C)[nH]2)c1O ZINC000848917400 633401012 /nfs/dbraw/zinc/40/10/12/633401012.db2.gz SLRRLXAJPILEPA-UHFFFAOYSA-N 0 0 288.395 2.660 20 10 CFCDRN Cc1noc(CN(C)Cc2ccc3ccccc3c2O)n1 ZINC000848928184 633410729 /nfs/dbraw/zinc/41/07/29/633410729.db2.gz WVQXMBIQQGRQGS-UHFFFAOYSA-N 0 0 283.331 2.869 20 10 CFCDRN C[C@H](O)C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000848928431 633411225 /nfs/dbraw/zinc/41/12/25/633411225.db2.gz DANUQZCKVAYMDH-QMMMGPOBSA-N 0 0 273.735 2.530 20 10 CFCDRN Fc1cc(/C=C/c2cnccn2)ccc1N1CCOCC1 ZINC000849246904 633590096 /nfs/dbraw/zinc/59/00/96/633590096.db2.gz XMVFTONYVXEXAY-HNQUOIGGSA-N 0 0 285.322 2.623 20 10 CFCDRN C[C@H](NC(=S)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000849261089 633596369 /nfs/dbraw/zinc/59/63/69/633596369.db2.gz CMYMYNZSFROGHV-NSHDSACASA-N 0 0 277.437 2.688 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(n1)OCCO2 ZINC000849347455 633624937 /nfs/dbraw/zinc/62/49/37/633624937.db2.gz KAJRAULKYRXWTD-UHFFFAOYSA-N 0 0 299.374 2.839 20 10 CFCDRN CC[C@@H](Sc1ncc(Cl)s1)C(=O)OC ZINC000849999770 633787119 /nfs/dbraw/zinc/78/71/19/633787119.db2.gz XRXMQHCGQXHADE-RXMQYKEDSA-N 0 0 251.760 2.840 20 10 CFCDRN O=C1CC[C@@H](CSc2ncc(Cl)s2)CCN1 ZINC000850002290 633787982 /nfs/dbraw/zinc/78/79/82/633787982.db2.gz ZOLLAPYTWKJNCG-SSDOTTSWSA-N 0 0 276.814 2.805 20 10 CFCDRN CCN1CC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850001955 633788068 /nfs/dbraw/zinc/78/80/68/633788068.db2.gz QAGFEXSBWVVNPM-ZCFIWIBFSA-N 0 0 262.787 2.509 20 10 CFCDRN CCCCNC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371518 633947082 /nfs/dbraw/zinc/94/70/82/633947082.db2.gz DBLHOEGVCMYNLR-UHFFFAOYSA-N 0 0 265.426 2.517 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000850351396 633951079 /nfs/dbraw/zinc/95/10/79/633951079.db2.gz AZSIOYPCGDTGEJ-BBRMVZONSA-N 0 0 299.422 2.920 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388085 633972123 /nfs/dbraw/zinc/97/21/23/633972123.db2.gz GYEZKGAOFCWDFT-VXGBXAGGSA-N 0 0 285.746 2.578 20 10 CFCDRN CCSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850393833 633974569 /nfs/dbraw/zinc/97/45/69/633974569.db2.gz HIBZTSYRJVTPOS-UHFFFAOYSA-N 0 0 282.365 2.676 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCc2ccco2)c1 ZINC000850407297 633980003 /nfs/dbraw/zinc/98/00/03/633980003.db2.gz CFAFCTFYUISCNH-UHFFFAOYSA-N 0 0 276.292 2.616 20 10 CFCDRN CC(C)(C)C(F)(F)CNCc1cc2c(cc1O)OCO2 ZINC000850410621 633981998 /nfs/dbraw/zinc/98/19/98/633981998.db2.gz YEALNIZXQYJXPY-UHFFFAOYSA-N 0 0 287.306 2.892 20 10 CFCDRN CON(C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850478178 634009080 /nfs/dbraw/zinc/00/90/80/634009080.db2.gz PKZBDAMTNOOGDT-SECBINFHSA-N 0 0 292.301 2.555 20 10 CFCDRN C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499193 634020076 /nfs/dbraw/zinc/02/00/76/634020076.db2.gz LBFKIYRIEGEWPT-SLEUVZQESA-N 0 0 285.395 2.701 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C=CCC2)c1 ZINC000850510055 634024287 /nfs/dbraw/zinc/02/42/87/634024287.db2.gz RAUZPKGVZBQADR-ZYHUDNBSSA-N 0 0 261.321 2.548 20 10 CFCDRN CCn1cc(CN[C@@H](C)c2ccc(Cl)cc2O)nn1 ZINC000850522690 634030090 /nfs/dbraw/zinc/03/00/90/634030090.db2.gz WQUFEGBLUCQABD-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000858210401 636156342 /nfs/dbraw/zinc/15/63/42/636156342.db2.gz PFADPXDTRKLVAW-CYBMUJFWSA-N 0 0 282.340 2.595 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000858210402 636156543 /nfs/dbraw/zinc/15/65/43/636156543.db2.gz PFADPXDTRKLVAW-ZDUSSCGKSA-N 0 0 282.340 2.595 20 10 CFCDRN CC[C@@H](O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000850528657 634036067 /nfs/dbraw/zinc/03/60/67/634036067.db2.gz JLLHWWKNPICNFJ-BXKDBHETSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccc(F)cc1[O-] ZINC000850570862 634057301 /nfs/dbraw/zinc/05/73/01/634057301.db2.gz JIPIKJKJRCZRGE-YUTCNCBUSA-N 0 0 253.317 2.749 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(N)cc1 ZINC000850711322 634065249 /nfs/dbraw/zinc/06/52/49/634065249.db2.gz MIGXSCORYMBTAT-AWEZNQCLSA-N 0 0 252.333 2.803 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000853035170 634884887 /nfs/dbraw/zinc/88/48/87/634884887.db2.gz OPINXHURCABIOV-HNNXBMFYSA-N 0 0 288.391 2.796 20 10 CFCDRN CCn1nccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000853239106 634948295 /nfs/dbraw/zinc/94/82/95/634948295.db2.gz ACGKXLFIBGKJJC-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN CN(C)c1ccc(CNc2cc(CO)c(F)cn2)cc1F ZINC000853240091 634948786 /nfs/dbraw/zinc/94/87/86/634948786.db2.gz GGYVLAPQOHESTQ-UHFFFAOYSA-N 0 0 293.317 2.530 20 10 CFCDRN CN(C)c1ccc(/C=C/C[NH2+]CC2(C(=O)[O-])CCC2)cc1 ZINC000854244950 635270338 /nfs/dbraw/zinc/27/03/38/635270338.db2.gz YMVFCAFYMPIVSL-HWKANZROSA-N 0 0 288.391 2.610 20 10 CFCDRN C[C@H](O)C[C@@H]1CCCCCN1C(=O)C1=CC(=O)CS1 ZINC000854424076 635303259 /nfs/dbraw/zinc/30/32/59/635303259.db2.gz NUZZXZMSBWXILA-QWRGUYRKSA-N 0 0 283.393 2.609 20 10 CFCDRN Cc1ccnc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)c1 ZINC000854839363 635405426 /nfs/dbraw/zinc/40/54/26/635405426.db2.gz CJAVNPKHMBKYRN-NSHDSACASA-N 0 0 288.372 2.787 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)CC3(C)CC3)C2)cc1 ZINC000855223336 635490047 /nfs/dbraw/zinc/49/00/47/635490047.db2.gz FQPXLBWGLFNZGH-ZDUSSCGKSA-N 0 0 288.391 2.580 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)C3=CCCC3)C2)cc1 ZINC000855233821 635490077 /nfs/dbraw/zinc/49/00/77/635490077.db2.gz NJSKDESZXIDDGT-CQSZACIVSA-N 0 0 286.375 2.500 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC/C=C\CO ZINC000855403727 635533706 /nfs/dbraw/zinc/53/37/06/635533706.db2.gz NYSGMKQEUAECFB-PLNGDYQASA-N 0 0 298.386 2.681 20 10 CFCDRN Cc1ccc(C(=O)NCC[C@@]2(C)CC2(F)F)c(O)c1O ZINC000855806602 635657206 /nfs/dbraw/zinc/65/72/06/635657206.db2.gz MPKAVLQUAHRGKZ-ZDUSSCGKSA-N 0 0 285.290 2.571 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](CCF)C1 ZINC000855827548 635662392 /nfs/dbraw/zinc/66/23/92/635662392.db2.gz UYRBETLDRJKLCS-BPJJOFIESA-N 0 0 293.338 2.709 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000855953650 635697406 /nfs/dbraw/zinc/69/74/06/635697406.db2.gz FJYQDYTUCZWYRN-WCQYABFASA-N 0 0 295.404 2.875 20 10 CFCDRN O=C(c1cccc(O)c1O)N(CCC1CC1)CC1CC1 ZINC000856284384 635775753 /nfs/dbraw/zinc/77/57/53/635775753.db2.gz LNQVCKSVFSTHPH-UHFFFAOYSA-N 0 0 275.348 2.750 20 10 CFCDRN O=C(CC1CC1)NCCCSc1nccs1 ZINC000114375948 635832481 /nfs/dbraw/zinc/83/24/81/635832481.db2.gz VQADTVNOOBXFJA-UHFFFAOYSA-N 0 0 256.396 2.542 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2)c1 ZINC000114542271 635838415 /nfs/dbraw/zinc/83/84/15/635838415.db2.gz NQRBUAICIGWAJJ-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC2(F)F)cc1 ZINC000856831893 635870616 /nfs/dbraw/zinc/87/06/16/635870616.db2.gz LYJFHFGKCNOXRH-GFCCVEGCSA-N 0 0 297.349 2.597 20 10 CFCDRN NC(=O)Cc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000158044809 650221269 /nfs/dbraw/zinc/22/12/69/650221269.db2.gz WKMDVCBJKVRQQN-UHFFFAOYSA-N 0 0 290.750 2.686 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)c1c(F)ccc(O)c1O ZINC000857334250 635966723 /nfs/dbraw/zinc/96/67/23/635966723.db2.gz QCOFNPQVFGDCST-UHFFFAOYSA-N 0 0 291.269 2.648 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1C ZINC000115280120 635981852 /nfs/dbraw/zinc/98/18/52/635981852.db2.gz XVYKPTOOPVBUKJ-UHFFFAOYSA-N 0 0 283.375 2.694 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(F)c1 ZINC000115280099 635982245 /nfs/dbraw/zinc/98/22/45/635982245.db2.gz QRPMCVKZKYUFAI-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN CC(=O)c1c[nH]c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115490401 636016835 /nfs/dbraw/zinc/01/68/35/636016835.db2.gz IISXJZDKTFVOGO-UHFFFAOYSA-N 0 0 299.374 2.522 20 10 CFCDRN CN(C)c1ccc(CN2Cc3ccncc3C2)cc1 ZINC000857879635 636046126 /nfs/dbraw/zinc/04/61/26/636046126.db2.gz LIKDLJNCFAOAON-UHFFFAOYSA-N 0 0 253.349 2.663 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccsc2)c1 ZINC000858133682 636135798 /nfs/dbraw/zinc/13/57/98/636135798.db2.gz UWKZGZQDIVBHAY-UHFFFAOYSA-N 0 0 290.388 2.804 20 10 CFCDRN CCOc1ccc(CNc2cnn(CCF)c2)c(O)c1 ZINC000858245795 636162810 /nfs/dbraw/zinc/16/28/10/636162810.db2.gz NXVCKZKIURFDHF-UHFFFAOYSA-N 0 0 279.315 2.569 20 10 CFCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858255527 636167070 /nfs/dbraw/zinc/16/70/70/636167070.db2.gz TULVEXRWBPUVIV-OLZOCXBDSA-N 0 0 294.420 2.784 20 10 CFCDRN CCC(F)(F)CN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000858506946 636277060 /nfs/dbraw/zinc/27/70/60/636277060.db2.gz KDDFOYZOAVCYOO-VIFPVBQESA-N 0 0 287.306 2.875 20 10 CFCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858508379 636277643 /nfs/dbraw/zinc/27/76/43/636277643.db2.gz NIQSKSYJVWQNOK-KBPBESRZSA-N 0 0 287.359 2.621 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000858543326 636287146 /nfs/dbraw/zinc/28/71/46/636287146.db2.gz HZNOKNNNZHAAFX-BBBLOLIVSA-N 0 0 289.297 2.833 20 10 CFCDRN C/C=C\CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000858543492 636287193 /nfs/dbraw/zinc/28/71/93/636287193.db2.gz JVKXUDOZBJEPJH-LMVHVUTASA-N 0 0 289.423 2.867 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccccn2)c1 ZINC000858592791 636303016 /nfs/dbraw/zinc/30/30/16/636303016.db2.gz LHWBBYHLSPXSCF-CYBMUJFWSA-N 0 0 299.374 2.526 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccccn2)c1 ZINC000858592792 636303307 /nfs/dbraw/zinc/30/33/07/636303307.db2.gz LHWBBYHLSPXSCF-ZDUSSCGKSA-N 0 0 299.374 2.526 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ncccc3OC)C2)cc1 ZINC000858621122 636311291 /nfs/dbraw/zinc/31/12/91/636311291.db2.gz MYMGGIKBBKUHPC-ZDUSSCGKSA-N 0 0 299.374 2.790 20 10 CFCDRN CCC(F)(F)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858801482 636347442 /nfs/dbraw/zinc/34/74/42/636347442.db2.gz ICXWVFUTHQKQTF-UHFFFAOYSA-N 0 0 299.365 2.939 20 10 CFCDRN COc1ccc(N(C)CCOC2CCOCC2)cc1Cl ZINC000859164284 636482175 /nfs/dbraw/zinc/48/21/75/636482175.db2.gz XKIJRSIMVWPBTC-UHFFFAOYSA-N 0 0 299.798 2.980 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)cc1F ZINC000048606737 650272245 /nfs/dbraw/zinc/27/22/45/650272245.db2.gz PPBGETPCVRLPDM-UHFFFAOYSA-N 0 0 277.270 2.943 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(N)cc1)c1ccco1 ZINC000859594205 636616418 /nfs/dbraw/zinc/61/64/18/636616418.db2.gz SUVGSZDHAWBJQO-LLVKDONJSA-N 0 0 258.321 2.672 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccn(C2CCCC2)n1 ZINC000159642892 650270414 /nfs/dbraw/zinc/27/04/14/650270414.db2.gz RDVFZELIKPTVGG-UHFFFAOYSA-N 0 0 299.374 2.976 20 10 CFCDRN COc1cccc2cc(C=C3SC(=S)NC3=O)oc21 ZINC000215521202 650265809 /nfs/dbraw/zinc/26/58/09/650265809.db2.gz FKVUEYJKUDZTPS-UXBLZVDNSA-N 0 0 291.353 2.930 20 10 CFCDRN CN(c1ccc(CNS(C)(=O)=O)cc1)C1CCCCC1 ZINC000049393105 650294596 /nfs/dbraw/zinc/29/45/96/650294596.db2.gz HTNANOWBTYNOFA-UHFFFAOYSA-N 0 0 296.436 2.505 20 10 CFCDRN CCO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000860949701 637028876 /nfs/dbraw/zinc/02/88/76/637028876.db2.gz AVKVXISLLOFSHF-BBRMVZONSA-N 0 0 292.423 2.991 20 10 CFCDRN Oc1c(Br)cccc1CNc1ncccn1 ZINC000187916662 650306693 /nfs/dbraw/zinc/30/66/93/650306693.db2.gz OBLOJVLWVIGQNB-UHFFFAOYSA-N 0 0 280.125 2.557 20 10 CFCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cocn1 ZINC000188043183 650312485 /nfs/dbraw/zinc/31/24/85/650312485.db2.gz JUGPRIWQDJWVGT-IZZDOVSWSA-N 0 0 277.349 2.567 20 10 CFCDRN C[C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159499 650317343 /nfs/dbraw/zinc/31/73/43/650317343.db2.gz KFYQPAKMIVTDSU-MFKMUULPSA-N 0 0 259.349 2.543 20 10 CFCDRN CC1CCC(C)(NC(=O)c2cccc(O)c2O)CC1 ZINC000188341618 650324094 /nfs/dbraw/zinc/32/40/94/650324094.db2.gz GUUIKLXIEVEIBZ-UHFFFAOYSA-N 0 0 263.337 2.796 20 10 CFCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1ccc2cccnc2c1O ZINC000862026168 637265894 /nfs/dbraw/zinc/26/58/94/637265894.db2.gz HOWZXFLZYZHWOL-IPYPFGDCSA-N 0 0 296.370 2.993 20 10 CFCDRN CCC(F)(F)C(=O)NCc1ccc2cccnc2c1O ZINC000862025030 637265918 /nfs/dbraw/zinc/26/59/18/637265918.db2.gz LENOBGDSTNLMEN-UHFFFAOYSA-N 0 0 280.274 2.602 20 10 CFCDRN CC(C)SCC(=O)NCc1ccc2cccnc2c1O ZINC000862028557 637265956 /nfs/dbraw/zinc/26/59/56/637265956.db2.gz CXNNNBQMOVDDCR-UHFFFAOYSA-N 0 0 290.388 2.698 20 10 CFCDRN CSC(C)(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862025083 637266223 /nfs/dbraw/zinc/26/62/23/637266223.db2.gz MXYAXJXFZVQYMJ-UHFFFAOYSA-N 0 0 290.388 2.698 20 10 CFCDRN C[C@H](C(=O)NCc1ccc2cccnc2c1O)C(F)(F)F ZINC000862027432 637266669 /nfs/dbraw/zinc/26/66/69/637266669.db2.gz RWJHMVJHRBISRU-MRVPVSSYSA-N 0 0 298.264 2.755 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)CO1 ZINC000862223485 637291353 /nfs/dbraw/zinc/29/13/53/637291353.db2.gz QEEDUWROJACCDE-WDEREUQCSA-N 0 0 284.350 2.640 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCOCC3(CC3)C2)cc1F ZINC000862311335 637319147 /nfs/dbraw/zinc/31/91/47/637319147.db2.gz MJYZXMHPSBXLAA-UHFFFAOYSA-N 0 0 296.361 2.643 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862374901 637343532 /nfs/dbraw/zinc/34/35/32/637343532.db2.gz SMEIDTQQHBXNOM-OGPIPQHQSA-N 0 0 287.359 2.663 20 10 CFCDRN CN(C)c1cc(F)c(CN2CC3(CC3(F)F)C2)cc1F ZINC000862402430 637360046 /nfs/dbraw/zinc/36/00/46/637360046.db2.gz NMTLHRZGTRHFHG-UHFFFAOYSA-N 0 0 288.288 2.872 20 10 CFCDRN CO[C@@H](C(=O)NCc1cc(C)ccc1O)C1CCCCC1 ZINC000862753846 637478236 /nfs/dbraw/zinc/47/82/36/637478236.db2.gz IZAMQHOCRXQANZ-MRXNPFEDSA-N 0 0 291.391 2.912 20 10 CFCDRN CCC[C@H](OCC)C(=O)NCc1cc(C)ccc1O ZINC000862753702 637478305 /nfs/dbraw/zinc/47/83/05/637478305.db2.gz GBXMZEVGAJVJLE-AWEZNQCLSA-N 0 0 265.353 2.522 20 10 CFCDRN CO[C@H](C(=O)NCc1cc(C)ccc1O)C1CCCCC1 ZINC000862753845 637478515 /nfs/dbraw/zinc/47/85/15/637478515.db2.gz IZAMQHOCRXQANZ-INIZCTEOSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2Cc3cccc(C)c3O2)c1 ZINC000862754318 637478785 /nfs/dbraw/zinc/47/87/85/637478785.db2.gz ADYYMUVBLBHKKZ-INIZCTEOSA-N 0 0 297.354 2.629 20 10 CFCDRN CCC[C@@H](OCC)C(=O)NCc1cc(C)ccc1O ZINC000862753704 637478829 /nfs/dbraw/zinc/47/88/29/637478829.db2.gz GBXMZEVGAJVJLE-CQSZACIVSA-N 0 0 265.353 2.522 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCOC3)c1 ZINC000862754192 637478837 /nfs/dbraw/zinc/47/88/37/637478837.db2.gz UJLSDDHPFSNNNM-UHFFFAOYSA-N 0 0 297.354 2.703 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2OCc3ccccc32)c1 ZINC000862755022 637479667 /nfs/dbraw/zinc/47/96/67/637479667.db2.gz NHNLPSSNVJCZIF-QGZVFWFLSA-N 0 0 297.354 2.978 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@](C)(O)c2ccccc2)c1 ZINC000862757541 637480481 /nfs/dbraw/zinc/48/04/81/637480481.db2.gz XTFHZWCKNBMZJK-GOSISDBHSA-N 0 0 299.370 2.615 20 10 CFCDRN CCOC1CC(CC(=O)NCc2cc(C)ccc2O)C1 ZINC000862757546 637480653 /nfs/dbraw/zinc/48/06/53/637480653.db2.gz YCQHQNHMGGONBN-UHFFFAOYSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)OCc2ccccc2)c1 ZINC000862757528 637480746 /nfs/dbraw/zinc/48/07/46/637480746.db2.gz XHLAMCNSKZVXGK-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862755839 637480815 /nfs/dbraw/zinc/48/08/15/637480815.db2.gz ZNWXAPHLCADHME-GXTWGEPZSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCS2)c1 ZINC000862757387 637481323 /nfs/dbraw/zinc/48/13/23/637481323.db2.gz RRXMDFSDRARNSV-ZDUSSCGKSA-N 0 0 265.378 2.603 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)OCc2ccccc2)c1 ZINC000862759147 637482347 /nfs/dbraw/zinc/48/23/47/637482347.db2.gz XHLAMCNSKZVXGK-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN CO[C@](C)(C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862760146 637483542 /nfs/dbraw/zinc/48/35/42/637483542.db2.gz NDMYNLCIQNCMDA-SFHVURJKSA-N 0 0 299.370 2.879 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CC=CCC1 ZINC000862949225 637526181 /nfs/dbraw/zinc/52/61/81/637526181.db2.gz XNCXERBXUVFQGB-FNOHHLHBSA-N 0 0 287.359 2.974 20 10 CFCDRN Cc1cc(CNC(=O)C(F)F)c(C)n1-c1ccccc1 ZINC000863167900 637577181 /nfs/dbraw/zinc/57/71/81/637577181.db2.gz OTKFPKKOIZLGMF-UHFFFAOYSA-N 0 0 278.302 2.975 20 10 CFCDRN C[C@@H]1CC(C(=O)[O-])C[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000863476462 637672562 /nfs/dbraw/zinc/67/25/62/637672562.db2.gz FMRYKQZJVZKROZ-CHWSQXEVSA-N 0 0 290.407 2.826 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)co1 ZINC000189134672 650363643 /nfs/dbraw/zinc/36/36/43/650363643.db2.gz JXNLAKGYWCVAHE-UHFFFAOYSA-N 0 0 284.359 2.900 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)c1cncnc1)c1ccc(N(C)C)cc1 ZINC000863905975 637806954 /nfs/dbraw/zinc/80/69/54/637806954.db2.gz NYDNMNSUWPPSBT-CHWSQXEVSA-N 0 0 298.390 2.524 20 10 CFCDRN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000864516373 638008055 /nfs/dbraw/zinc/00/80/55/638008055.db2.gz GRHHSOFFZIFRBF-CABCVRRESA-N 0 0 289.375 2.745 20 10 CFCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000864633725 638054109 /nfs/dbraw/zinc/05/41/09/638054109.db2.gz JVPZLPKCFLGGPE-IOASZLSFSA-N 0 0 290.407 2.525 20 10 CFCDRN C[C@H]1CC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864638450 638055020 /nfs/dbraw/zinc/05/50/20/638055020.db2.gz FDJFYSUPGKWYCH-FZMZJTMJSA-N 0 0 272.352 2.800 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1cncc(F)c1 ZINC000120293637 638126507 /nfs/dbraw/zinc/12/65/07/638126507.db2.gz RCCQPYNNYYBESE-VOTSOKGWSA-N 0 0 286.306 2.598 20 10 CFCDRN CC[C@H](C)NC(=S)N[C@H](C)c1ccccc1O ZINC000865269347 638249348 /nfs/dbraw/zinc/24/93/48/638249348.db2.gz JLNKNJJXDCJWLY-VHSXEESVSA-N 0 0 252.383 2.716 20 10 CFCDRN CC[C@@H](C)NC(=S)N[C@@H](C)c1ccccc1O ZINC000865270078 638250518 /nfs/dbraw/zinc/25/05/18/638250518.db2.gz JLNKNJJXDCJWLY-ZJUUUORDSA-N 0 0 252.383 2.716 20 10 CFCDRN CCCc1nnc(NCc2cc(F)c(N(C)C)cc2F)o1 ZINC000865289509 638259131 /nfs/dbraw/zinc/25/91/31/638259131.db2.gz NNRDQHFUKXESBK-UHFFFAOYSA-N 0 0 296.321 2.978 20 10 CFCDRN CCc1nnc(NCc2c(O)cccc2Br)o1 ZINC000865292915 638259910 /nfs/dbraw/zinc/25/99/10/638259910.db2.gz UWHSHDRNMDIMRV-UHFFFAOYSA-N 0 0 298.140 2.712 20 10 CFCDRN Cc1cc(O)c(CNc2ncc3c(n2)COC3)c(Cl)c1 ZINC000865294015 638260567 /nfs/dbraw/zinc/26/05/67/638260567.db2.gz FWIMGTFIOJJEJF-UHFFFAOYSA-N 0 0 291.738 2.786 20 10 CFCDRN CN(C)c1ccc(CNCc2cn(C3CC3)cn2)cc1F ZINC000865437443 638333902 /nfs/dbraw/zinc/33/39/02/638333902.db2.gz MHUWPBAEIXZRNA-UHFFFAOYSA-N 0 0 288.370 2.713 20 10 CFCDRN CCCNc1cc(NCc2cccc(OC)c2O)ncn1 ZINC000865503369 638382361 /nfs/dbraw/zinc/38/23/61/638382361.db2.gz WCWBJPGRFPGCOK-UHFFFAOYSA-N 0 0 288.351 2.625 20 10 CFCDRN CC(C)(F)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000865654191 638491457 /nfs/dbraw/zinc/49/14/57/638491457.db2.gz LMBGWOBCYKUQLH-UHFFFAOYSA-N 0 0 276.695 2.792 20 10 CFCDRN CN(C)c1ccc(CNc2cnn3c2CCCC3)cc1 ZINC000865709844 638528113 /nfs/dbraw/zinc/52/81/13/638528113.db2.gz WMRZZHGNPCXDPN-UHFFFAOYSA-N 0 0 270.380 2.898 20 10 CFCDRN COc1cccc(O)c1CNc1cnn2c1CCCC2 ZINC000865709906 638528150 /nfs/dbraw/zinc/52/81/50/638528150.db2.gz YVMPWIWAZNDFHT-UHFFFAOYSA-N 0 0 273.336 2.546 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000865874100 638632762 /nfs/dbraw/zinc/63/27/62/638632762.db2.gz QZCRILIJBNTKHW-DTWKUNHWSA-N 0 0 275.751 2.824 20 10 CFCDRN CCOc1nc(N2Cc3cccc(O)c3C2)ncc1Cl ZINC000866117428 638744904 /nfs/dbraw/zinc/74/49/04/638744904.db2.gz NTEJDIKKQNLZEV-UHFFFAOYSA-N 0 0 291.738 2.755 20 10 CFCDRN Oc1cccc2c1CN(c1nc(C3CC3)ns1)C2 ZINC000866117421 638745102 /nfs/dbraw/zinc/74/51/02/638745102.db2.gz NOACJWIDMXDKCI-UHFFFAOYSA-N 0 0 259.334 2.641 20 10 CFCDRN CCOC(=O)c1cnc(N[C@@H](C)c2ccccc2O)cn1 ZINC000866237819 638776913 /nfs/dbraw/zinc/77/69/13/638776913.db2.gz KFHPWUAMLWKSJQ-JTQLQIEISA-N 0 0 287.319 2.532 20 10 CFCDRN COc1nc(C)cc(N[C@@H](C)c2ccccc2O)n1 ZINC000866240005 638777787 /nfs/dbraw/zinc/77/77/87/638777787.db2.gz ZKEYRHOFYNQGCU-JTQLQIEISA-N 0 0 259.309 2.672 20 10 CFCDRN COCc1nc(N[C@H](C)c2ccccc2O)cc(OC)n1 ZINC000866240004 638777853 /nfs/dbraw/zinc/77/78/53/638777853.db2.gz ZHDRTWMFIDKZTM-SNVBAGLBSA-N 0 0 289.335 2.510 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(F)cc(F)c1[O-] ZINC000866446731 638823304 /nfs/dbraw/zinc/82/33/04/638823304.db2.gz WXXUWAJLPJAECY-AUVZYDBSSA-N 0 0 295.329 2.744 20 10 CFCDRN CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1[O-] ZINC000866447302 638823866 /nfs/dbraw/zinc/82/38/66/638823866.db2.gz ZFXDIDBLYKBWMK-YKHUXQPYSA-N 0 0 291.366 2.995 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000866597664 638851697 /nfs/dbraw/zinc/85/16/97/638851697.db2.gz WTJKJSPTYIOVEO-HNNXBMFYSA-N 0 0 291.391 2.946 20 10 CFCDRN CCOCCCCCC(=O)NCc1ccccc1O ZINC000866754757 638873555 /nfs/dbraw/zinc/87/35/55/638873555.db2.gz DGKOBRWXHIGAPE-UHFFFAOYSA-N 0 0 265.353 2.605 20 10 CFCDRN C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccccc1O ZINC000867834065 638900050 /nfs/dbraw/zinc/90/00/50/638900050.db2.gz KKBOSEHWFOAQJM-NSHDSACASA-N 0 0 285.409 2.809 20 10 CFCDRN Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)o1 ZINC000867833829 638900220 /nfs/dbraw/zinc/90/02/20/638900220.db2.gz BSJNTALVCFNJCK-JTQLQIEISA-N 0 0 295.360 2.642 20 10 CFCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)o1 ZINC000867833831 638900326 /nfs/dbraw/zinc/90/03/26/638900326.db2.gz BSJNTALVCFNJCK-SNVBAGLBSA-N 0 0 295.360 2.642 20 10 CFCDRN CCC(CC)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834558 638900702 /nfs/dbraw/zinc/90/07/02/638900702.db2.gz QTAOUBRCAQMQOB-LLVKDONJSA-N 0 0 285.409 2.809 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(O)c1 ZINC000867956025 638908797 /nfs/dbraw/zinc/90/87/97/638908797.db2.gz KFGJDDZHKRRRQM-CHWSQXEVSA-N 0 0 277.364 2.699 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccccc1O ZINC000868017393 638915368 /nfs/dbraw/zinc/91/53/68/638915368.db2.gz UWPXSUXFDKRYJQ-NEPJUHHUSA-N 0 0 285.347 2.909 20 10 CFCDRN CC(C)COCCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868018165 638915683 /nfs/dbraw/zinc/91/56/83/638915683.db2.gz GZASZWMZMXMSCJ-CYBMUJFWSA-N 0 0 294.395 2.815 20 10 CFCDRN Cc1occc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868128147 638924277 /nfs/dbraw/zinc/92/42/77/638924277.db2.gz KKQGNUJHIIBYPW-JTQLQIEISA-N 0 0 274.320 2.854 20 10 CFCDRN C[C@H](NC(=O)NC1CCSCC1)c1ccccc1O ZINC000868279278 638934028 /nfs/dbraw/zinc/93/40/28/638934028.db2.gz MTPTWBKTHYSPDL-JTQLQIEISA-N 0 0 280.393 2.648 20 10 CFCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccncc1 ZINC000868340274 638938892 /nfs/dbraw/zinc/93/88/92/638938892.db2.gz SRVQNQYZHFSIBN-OLZOCXBDSA-N 0 0 299.374 2.951 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000868439026 638945604 /nfs/dbraw/zinc/94/56/04/638945604.db2.gz RWTFUFZTJWGVIU-NEPJUHHUSA-N 0 0 292.379 2.710 20 10 CFCDRN CCC(O)(CC)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868531608 638953620 /nfs/dbraw/zinc/95/36/20/638953620.db2.gz ARXOKPMGIJASOE-GFCCVEGCSA-N 0 0 294.395 2.694 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCSC1)c1ccccc1O ZINC000868557463 638955848 /nfs/dbraw/zinc/95/58/48/638955848.db2.gz IRWXIZGAHUVFDM-GHMZBOCLSA-N 0 0 280.393 2.506 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CCC1(C)C)c1ccccc1O ZINC000868610129 638961557 /nfs/dbraw/zinc/96/15/57/638961557.db2.gz BPMLRYDOUNTMMF-GXFFZTMASA-N 0 0 262.353 2.941 20 10 CFCDRN CC[C@@H](C)CONC(=O)N[C@H](C)c1ccccc1O ZINC000868640185 638964378 /nfs/dbraw/zinc/96/43/78/638964378.db2.gz RKWFKFDVHFYZEM-GHMZBOCLSA-N 0 0 266.341 2.730 20 10 CFCDRN CC[C@H](C)CONC(=O)N[C@H](C)c1ccccc1O ZINC000868640188 638964412 /nfs/dbraw/zinc/96/44/12/638964412.db2.gz RKWFKFDVHFYZEM-WDEREUQCSA-N 0 0 266.341 2.730 20 10 CFCDRN C[C@@H](NC(=O)NCC[C@H](C)F)c1ccccc1O ZINC000868650497 638965203 /nfs/dbraw/zinc/96/52/03/638965203.db2.gz KRWGGHRRTNYUBD-VHSXEESVSA-N 0 0 254.305 2.501 20 10 CFCDRN CC[C@H](C)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868664050 638967230 /nfs/dbraw/zinc/96/72/30/638967230.db2.gz VDNVJGPZPGHLCD-SLEUVZQESA-N 0 0 294.395 2.814 20 10 CFCDRN CO[C@@H]([C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868681321 638968635 /nfs/dbraw/zinc/96/86/35/638968635.db2.gz GFBFMWDKPYFCQW-RWSFTLGLSA-N 0 0 292.379 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ZINC000875452051 642624612 /nfs/dbraw/zinc/62/46/12/642624612.db2.gz RTPGAPPVLGODHM-LBPRGKRZSA-N 0 0 294.395 2.551 20 10 CFCDRN C[C@@H](NC(=O)NCC(C)(C)CCCO)c1ccccc1O ZINC000875452050 642624939 /nfs/dbraw/zinc/62/49/39/642624939.db2.gz RTPGAPPVLGODHM-GFCCVEGCSA-N 0 0 294.395 2.551 20 10 CFCDRN CSCCCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875508749 642631559 /nfs/dbraw/zinc/63/15/59/642631559.db2.gz KIWRUNYTIPIFMC-UHFFFAOYSA-N 0 0 294.420 2.951 20 10 CFCDRN Cc1cnccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000875514244 642632688 /nfs/dbraw/zinc/63/26/88/642632688.db2.gz FCKZHLLANJSVLF-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN CC1(C)CC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875582291 642645742 /nfs/dbraw/zinc/64/57/42/642645742.db2.gz CNCFOBZVZYMTSK-ZDUSSCGKSA-N 0 0 260.337 2.606 20 10 CFCDRN O=C(NC[C@@H]1CCCSC1)N1Cc2cccc(O)c2C1 ZINC000875584948 642646660 /nfs/dbraw/zinc/64/66/60/642646660.db2.gz OMQJTGPPKCHQKO-NSHDSACASA-N 0 0 292.404 2.561 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC=CC1 ZINC000875673595 642663243 /nfs/dbraw/zinc/66/32/43/642663243.db2.gz MHIIARJXYKMFSV-AWEZNQCLSA-N 0 0 287.407 2.573 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cnn(C)c1)c1cccnc1 ZINC000875883377 642706135 /nfs/dbraw/zinc/70/61/35/642706135.db2.gz VQLIDYQTVIRBNO-BQYQJAHWSA-N 0 0 284.363 2.662 20 10 CFCDRN C[C@H]1SCC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000876751074 642994635 /nfs/dbraw/zinc/99/46/35/642994635.db2.gz UGAVRKVZALBVCX-DTWKUNHWSA-N 0 0 273.348 2.996 20 10 CFCDRN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764876 643000550 /nfs/dbraw/zinc/00/05/50/643000550.db2.gz OSGCDYBLSBVHPO-PWSUYJOCSA-N 0 0 284.350 2.585 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc(F)c1F ZINC000876783191 643007646 /nfs/dbraw/zinc/00/76/46/643007646.db2.gz WFSHHZNPPDEDAT-SNVBAGLBSA-N 0 0 253.292 2.902 20 10 CFCDRN C[N@H+](CCc1nccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876790494 643011176 /nfs/dbraw/zinc/01/11/76/643011176.db2.gz KMALANIFFDJDPW-UHFFFAOYSA-N 0 0 284.331 2.801 20 10 CFCDRN O=C(Nc1ccc(F)cc1F)c1cccc(O)c1O ZINC000126225855 643055712 /nfs/dbraw/zinc/05/57/12/643055712.db2.gz WLKVUVNEFWLXPL-UHFFFAOYSA-N 0 0 265.215 2.628 20 10 CFCDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)s1 ZINC000126303939 643111307 /nfs/dbraw/zinc/11/13/07/643111307.db2.gz SRYRLQQYANGZKG-SECBINFHSA-N 0 0 277.345 2.959 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccsc1 ZINC000877052491 643122542 /nfs/dbraw/zinc/12/25/42/643122542.db2.gz YBIOFXKAGYAYKM-AWEZNQCLSA-N 0 0 299.342 2.729 20 10 CFCDRN OC1CCN(c2ccc(CNc3cccnc3)cc2)CC1 ZINC000877076729 643138722 /nfs/dbraw/zinc/13/87/22/643138722.db2.gz QCTLUQLMYBZJOH-UHFFFAOYSA-N 0 0 283.375 2.655 20 10 CFCDRN CN(C(=O)c1csc(C2CC2)n1)c1ccc(N)cc1 ZINC000877077804 643139134 /nfs/dbraw/zinc/13/91/34/643139134.db2.gz UZCDAPMOCWPECF-UHFFFAOYSA-N 0 0 273.361 2.879 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)c2ccc(N)cc2)on1 ZINC000877078065 643139145 /nfs/dbraw/zinc/13/91/45/643139145.db2.gz BFRVMPBZOGCFSR-UHFFFAOYSA-N 0 0 259.309 2.657 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877095097 643150661 /nfs/dbraw/zinc/15/06/61/643150661.db2.gz WCWUJCGESQSKRU-NXEZZACHSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@H](N(C)C(=O)c1cccc(O)c1O)C(C)(C)C ZINC000126342938 643153307 /nfs/dbraw/zinc/15/33/07/643153307.db2.gz SZHQFEBKQDUUGV-VIFPVBQESA-N 0 0 251.326 2.604 20 10 CFCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000877139696 643173612 /nfs/dbraw/zinc/17/36/12/643173612.db2.gz WSVKKCCUQDFDMR-YPMHNXCESA-N 0 0 299.361 2.899 20 10 CFCDRN COc1cc(N(C)Cc2ccns2)cc(OC)c1OC ZINC000877179683 643191374 /nfs/dbraw/zinc/19/13/74/643191374.db2.gz GVUPDBDORSCFTO-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]2CCC[C@H]21 ZINC000126454191 643230915 /nfs/dbraw/zinc/23/09/15/643230915.db2.gz FHWKVVJYHLPHLW-ZYHUDNBSSA-N 0 0 261.321 2.503 20 10 CFCDRN CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126457374 643232134 /nfs/dbraw/zinc/23/21/34/643232134.db2.gz LRWSELMQAHPTBV-ZJUUUORDSA-N 0 0 251.326 2.652 20 10 CFCDRN C[C@@H]1CSCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877475558 643293048 /nfs/dbraw/zinc/29/30/48/643293048.db2.gz SPODRTBYKVPZRM-VIFPVBQESA-N 0 0 273.348 2.855 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc(F)c1F ZINC000877476668 643294631 /nfs/dbraw/zinc/29/46/31/643294631.db2.gz KFPHIORLTYHUSL-NSHDSACASA-N 0 0 291.297 2.633 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H](CO)CC2CCCC2)ccc(F)c1F ZINC000877497720 643310187 /nfs/dbraw/zinc/31/01/87/643310187.db2.gz YQJQKEUNIWSNRL-GFCCVEGCSA-N 0 0 299.361 2.949 20 10 CFCDRN CCC(CC)(CCO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877503892 643314769 /nfs/dbraw/zinc/31/47/69/643314769.db2.gz XJWVTPYUCTXZIU-UHFFFAOYSA-N 0 0 273.323 2.701 20 10 CFCDRN Cc1ccc(CN2CCOC[C@H]2CC(F)F)c(O)c1 ZINC000877518609 643324017 /nfs/dbraw/zinc/32/40/17/643324017.db2.gz KPXWCWCJZOBMOO-GFCCVEGCSA-N 0 0 271.307 2.557 20 10 CFCDRN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877521671 643326743 /nfs/dbraw/zinc/32/67/43/643326743.db2.gz GVTPBWOZGYLZOP-RISCZKNCSA-N 0 0 296.361 2.729 20 10 CFCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877537085 643339783 /nfs/dbraw/zinc/33/97/83/643339783.db2.gz GBDJAKKOSBVJKQ-NSHDSACASA-N 0 0 286.366 2.880 20 10 CFCDRN COc1ccccc1N(CCO)Cc1ccc(C)cc1O ZINC000877538146 643341040 /nfs/dbraw/zinc/34/10/40/643341040.db2.gz WRSJXUAXOUKVHC-UHFFFAOYSA-N 0 0 287.359 2.708 20 10 CFCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877555622 643356819 /nfs/dbraw/zinc/35/68/19/643356819.db2.gz XVZSWNOKANXTPR-INIZCTEOSA-N 0 0 299.361 2.901 20 10 CFCDRN CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877571231 643369944 /nfs/dbraw/zinc/36/99/44/643369944.db2.gz ZMSDEYYYDWGPGH-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN COCC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000877620594 643406611 /nfs/dbraw/zinc/40/66/11/643406611.db2.gz KHLKFNODDKYZQE-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)ccc(F)c1F ZINC000877629793 643413923 /nfs/dbraw/zinc/41/39/23/643413923.db2.gz VZPXVVXDERXVPK-KGLIPLIRSA-N 0 0 291.297 2.938 20 10 CFCDRN Cc1cc(O)c(CN2Cc3cnn(C)c3C2)cc1Cl ZINC000877632995 643416810 /nfs/dbraw/zinc/41/68/10/643416810.db2.gz VGUJBTAIRRQWCE-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1ccc(C)cc1O)OCC ZINC000877648212 643430125 /nfs/dbraw/zinc/43/01/25/643430125.db2.gz LUGLGZSLANNFDJ-CQSZACIVSA-N 0 0 251.370 2.995 20 10 CFCDRN Cc1ccc(CN2Cc3ccccc3N(C)C(=O)C2)c(O)c1 ZINC000877654805 643436441 /nfs/dbraw/zinc/43/64/41/643436441.db2.gz VVVRVOLKEAAXKX-UHFFFAOYSA-N 0 0 296.370 2.679 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000877663981 643441324 /nfs/dbraw/zinc/44/13/24/643441324.db2.gz JCZMJKHUUMQRPO-LBPRGKRZSA-N 0 0 292.335 2.731 20 10 CFCDRN Cc1ccc(CNc2cncc(N(C)C)c2)c(O)c1 ZINC000877667163 643442929 /nfs/dbraw/zinc/44/29/29/643442929.db2.gz DUUCVJBXKUQLAX-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN CN1C(=O)/C(=C\c2ccc(F)cc2F)SC1=S ZINC000022226046 643446500 /nfs/dbraw/zinc/44/65/00/643446500.db2.gz TUDFVWNSGVDAPW-RUDMXATFSA-N 0 0 271.313 2.796 20 10 CFCDRN Cc1ccc(CNc2cnn3c2CCCC3)c(O)c1 ZINC000877692707 643458114 /nfs/dbraw/zinc/45/81/14/643458114.db2.gz PKEJZAKJATUWED-UHFFFAOYSA-N 0 0 257.337 2.846 20 10 CFCDRN Cn1ncc(C(F)(F)F)c1CN1Cc2cccc(O)c2C1 ZINC000877702798 643467760 /nfs/dbraw/zinc/46/77/60/643467760.db2.gz HVTAQRKJTBDJGB-UHFFFAOYSA-N 0 0 297.280 2.660 20 10 CFCDRN Cc1nn(C)c(Cl)c1CN1Cc2cccc(O)c2C1 ZINC000877703758 643469494 /nfs/dbraw/zinc/46/94/94/643469494.db2.gz STOSYGOJGZZRFC-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN CN(C)C(=O)c1ccccc1CN1Cc2cccc(O)c2C1 ZINC000877703037 643469585 /nfs/dbraw/zinc/46/95/85/643469585.db2.gz PADJEZSDXFUIDR-UHFFFAOYSA-N 0 0 296.370 2.610 20 10 CFCDRN Oc1cccc2c1CN(Cc1cc(C3CC3)no1)C2 ZINC000877703233 643469593 /nfs/dbraw/zinc/46/95/93/643469593.db2.gz XLDQNQKWOUNDPY-UHFFFAOYSA-N 0 0 256.305 2.773 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CN2CCC1CC2 ZINC000877706247 643473858 /nfs/dbraw/zinc/47/38/58/643473858.db2.gz ITWHECXCHBJVBN-CQSZACIVSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1ccc(CN2CCO[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877715615 643479693 /nfs/dbraw/zinc/47/96/93/643479693.db2.gz FVSVCYAVHIEUJK-CYBMUJFWSA-N 0 0 289.297 2.854 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccnn1C ZINC000877763087 643542647 /nfs/dbraw/zinc/54/26/47/643542647.db2.gz OVOWFFYPDKVZEK-SECBINFHSA-N 0 0 265.744 2.630 20 10 CFCDRN CC1(C)N[C@@H](c2cccc(O)c2O)N(c2ccccc2)C1=O ZINC000877856621 643608595 /nfs/dbraw/zinc/60/85/95/643608595.db2.gz FRYMGXTXTCPELZ-OAHLLOKOSA-N 0 0 298.342 2.511 20 10 CFCDRN COc1cccc([C@H]2Nc3ccc(C)cc3C(=O)N2)c1O ZINC000877860889 643609325 /nfs/dbraw/zinc/60/93/25/643609325.db2.gz CARQCUQQVQTEFB-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN O=C1N(c2ccccc2)[C@H](c2cccc(F)c2O)NC12CC2 ZINC000877858656 643609602 /nfs/dbraw/zinc/60/96/02/643609602.db2.gz KGCRLMMHMQFSEV-OAHLLOKOSA-N 0 0 298.317 2.699 20 10 CFCDRN CCOc1cccc([C@@H]2Nc3ccc(C)cc3C(=O)N2)c1O ZINC000877862112 643610637 /nfs/dbraw/zinc/61/06/37/643610637.db2.gz SCZLCNWTPODSJF-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN CC(C)c1nccn1Cc1ccc(N2CCOCC2)cc1 ZINC000877880710 643619324 /nfs/dbraw/zinc/61/93/24/643619324.db2.gz QRILKNAKKBYEID-UHFFFAOYSA-N 0 0 285.391 2.891 20 10 CFCDRN CC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000877922834 643643597 /nfs/dbraw/zinc/64/35/97/643643597.db2.gz VRVUNISGVXMWLU-UHFFFAOYSA-N 0 0 260.381 2.698 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H]2CCc3ncnn32)cc1 ZINC000878220923 643798367 /nfs/dbraw/zinc/79/83/67/643798367.db2.gz VVQXMTNURHJCKB-CQSZACIVSA-N 0 0 286.379 2.691 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2CCc3ncnn32)cc1 ZINC000878220922 643798767 /nfs/dbraw/zinc/79/87/67/643798767.db2.gz VVQXMTNURHJCKB-AWEZNQCLSA-N 0 0 286.379 2.691 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cnc(C)o1 ZINC000878598163 643952030 /nfs/dbraw/zinc/95/20/30/643952030.db2.gz YJGHWYAZDWOAIE-UHFFFAOYSA-N 0 0 288.347 2.670 20 10 CFCDRN C[C@H](NC(=O)Nc1cnc(C2CC2)nc1)c1ccccc1O ZINC000878601483 643952853 /nfs/dbraw/zinc/95/28/53/643952853.db2.gz RBOQDFYZMNVJOF-JTQLQIEISA-N 0 0 298.346 2.942 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H]2c2ncccn2)cc1 ZINC000878977416 644096192 /nfs/dbraw/zinc/09/61/92/644096192.db2.gz LEFXWJBWXOYPRF-MRXNPFEDSA-N 0 0 282.391 2.880 20 10 CFCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2COCCO2)cc1 ZINC000879117146 644149463 /nfs/dbraw/zinc/14/94/63/644149463.db2.gz KCHQXFMLCYVQDU-QGZVFWFLSA-N 0 0 291.391 2.717 20 10 CFCDRN Nc1ccc(CCNC(=O)c2cccc3c2CCCN3)cc1 ZINC000127649657 644221718 /nfs/dbraw/zinc/22/17/18/644221718.db2.gz IYMROYWNSZTAFI-UHFFFAOYSA-N 0 0 295.386 2.599 20 10 CFCDRN C[C@H](NCc1nc(CC2CC2)no1)c1ccccc1O ZINC000879649742 644363293 /nfs/dbraw/zinc/36/32/93/644363293.db2.gz FPLTYSARBRXRJX-JTQLQIEISA-N 0 0 273.336 2.579 20 10 CFCDRN C[C@H](NCc1noc(C2CC2)n1)c1ccccc1O ZINC000879651538 644364717 /nfs/dbraw/zinc/36/47/17/644364717.db2.gz AEMUCDHIANVSBJ-VIFPVBQESA-N 0 0 259.309 2.503 20 10 CFCDRN CC(C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879653518 644366269 /nfs/dbraw/zinc/36/62/69/644366269.db2.gz QXZXPDWNFBKMKE-JTQLQIEISA-N 0 0 261.325 2.749 20 10 CFCDRN CS[C@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000128092008 644466795 /nfs/dbraw/zinc/46/67/95/644466795.db2.gz HOHARJAQQRDXAZ-MRVPVSSYSA-N 0 0 290.226 2.996 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000248612950 650940283 /nfs/dbraw/zinc/94/02/83/650940283.db2.gz YBCSAZARJXBSDE-OUCADQQQSA-N 0 0 291.391 2.971 20 10 CFCDRN CCn1ncc(C(=O)NCc2cc(C)ccc2O)c1C1CC1 ZINC000880837001 644846516 /nfs/dbraw/zinc/84/65/16/644846516.db2.gz DOCOAUGQGJDVDD-UHFFFAOYSA-N 0 0 299.374 2.724 20 10 CFCDRN Nc1ccc(OCc2cn(CCCCCF)nn2)cc1 ZINC000881295131 644945257 /nfs/dbraw/zinc/94/52/57/644945257.db2.gz LNOFQVQPNAZAOJ-UHFFFAOYSA-N 0 0 278.331 2.579 20 10 CFCDRN Nc1ccc(OCc2cn(CC3=CCCC3)nn2)cc1 ZINC000881309569 644948251 /nfs/dbraw/zinc/94/82/51/644948251.db2.gz WYGGMNVXNRPTGL-UHFFFAOYSA-N 0 0 270.336 2.550 20 10 CFCDRN Cc1cc(Cn2cc(-c3nccs3)nn2)ccc1N(C)C ZINC000881377974 644963916 /nfs/dbraw/zinc/96/39/16/644963916.db2.gz ABVMUYIADCBUHG-UHFFFAOYSA-N 0 0 299.403 2.824 20 10 CFCDRN O=C(c1c[nH]cc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000881428510 644971957 /nfs/dbraw/zinc/97/19/57/644971957.db2.gz GWOCJMRDWJDIRV-UHFFFAOYSA-N 0 0 268.316 2.754 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440479 644975622 /nfs/dbraw/zinc/97/56/22/644975622.db2.gz CQASDTDFHBVMPT-MJVIPROJSA-N 0 0 299.374 2.659 20 10 CFCDRN O=Cc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000881804732 645131810 /nfs/dbraw/zinc/13/18/10/645131810.db2.gz QLOZOTPBJVNYMA-UHFFFAOYSA-N 0 0 282.347 2.501 20 10 CFCDRN Cc1cncnc1NCc1ccc(N(C)C)c(F)c1 ZINC000881866562 645144028 /nfs/dbraw/zinc/14/40/28/645144028.db2.gz OZBUWNHYCTVQPJ-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN Cc1nn(CCSc2ncc(C(C)(C)C)s2)c(=O)o1 ZINC000882138201 645216572 /nfs/dbraw/zinc/21/65/72/645216572.db2.gz DUZHMDJFMFUTRC-UHFFFAOYSA-N 0 0 299.421 2.691 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C2CC2)ncn1 ZINC000882171079 645228851 /nfs/dbraw/zinc/22/88/51/645228851.db2.gz MIBPWEKDPQQOSS-SNVBAGLBSA-N 0 0 285.347 2.808 20 10 CFCDRN COC(=O)c1cnc(SCCc2ccccn2)s1 ZINC000882173360 645230008 /nfs/dbraw/zinc/23/00/08/645230008.db2.gz HBROPOQVLOVSDL-UHFFFAOYSA-N 0 0 280.374 2.660 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](CF)C2)cc1OC ZINC000882802106 645462655 /nfs/dbraw/zinc/46/26/55/645462655.db2.gz PSGZGQCDWGEKGM-SNVBAGLBSA-N 0 0 298.314 2.798 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000213194922 645478611 /nfs/dbraw/zinc/47/86/11/645478611.db2.gz KLJFROVEFPQSMS-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882980286 645538649 /nfs/dbraw/zinc/53/86/49/645538649.db2.gz FZDZXAGKECBVIM-QMMMGPOBSA-N 0 0 281.306 2.563 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000883043944 645579877 /nfs/dbraw/zinc/57/98/77/645579877.db2.gz BSRVWGSLDLTFCB-YUTCNCBUSA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1cnccc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883076024 645593986 /nfs/dbraw/zinc/59/39/86/645593986.db2.gz RYRWVNFJHZMFNZ-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN C[C@@H](CCO)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883083393 645597465 /nfs/dbraw/zinc/59/74/65/645597465.db2.gz KJZFQTHWNCAZBC-NSHDSACASA-N 0 0 299.361 2.949 20 10 CFCDRN CSCC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000130997985 645605954 /nfs/dbraw/zinc/60/59/54/645605954.db2.gz VUDCVYJLJLKVOW-VIFPVBQESA-N 0 0 253.371 2.532 20 10 CFCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883144659 645623721 /nfs/dbraw/zinc/62/37/21/645623721.db2.gz WIBQETOYKFBXRN-TXEJJXNPSA-N 0 0 271.307 2.716 20 10 CFCDRN CS[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883196699 645656471 /nfs/dbraw/zinc/65/64/71/645656471.db2.gz USVLPRKCLRFNDD-MGCOHNPYSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000883202801 645661358 /nfs/dbraw/zinc/66/13/58/645661358.db2.gz KWBPWRSUTWJVAI-WFBYXXMGSA-N 0 0 283.318 2.718 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C=CCC2)cc1F ZINC000883241293 645689548 /nfs/dbraw/zinc/68/95/48/645689548.db2.gz SPSLISKDVXFXQS-GFCCVEGCSA-N 0 0 291.370 2.657 20 10 CFCDRN CC1(C)C[C@@]1(C)CNC(=O)NCc1ccccc1O ZINC000883250262 645698436 /nfs/dbraw/zinc/69/84/36/645698436.db2.gz KYDNWCXXHWBFLE-HNNXBMFYSA-N 0 0 262.353 2.628 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276150 645718217 /nfs/dbraw/zinc/71/82/17/645718217.db2.gz GTCUTNLLVQKDBB-DGCLKSJQSA-N 0 0 293.338 2.626 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C3CC3)o2)c(OC)c1 ZINC000131682594 645785425 /nfs/dbraw/zinc/78/54/25/645785425.db2.gz BYOCADSJHPXCNQ-UHFFFAOYSA-N 0 0 289.335 2.601 20 10 CFCDRN CC(C)(C)c1cnc(SCC2(CO)COC2)s1 ZINC000305086302 651047775 /nfs/dbraw/zinc/04/77/75/651047775.db2.gz OAIMDJXXYLTGKE-UHFFFAOYSA-N 0 0 273.423 2.542 20 10 CFCDRN C=C/C=C\CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000883919601 646044513 /nfs/dbraw/zinc/04/45/13/646044513.db2.gz VRHOHXCPNNDCNP-ARJAWSKDSA-N 0 0 258.321 2.550 20 10 CFCDRN Cc1cccc(CCC(=O)NCc2ccccc2O)c1 ZINC000133765545 646226458 /nfs/dbraw/zinc/22/64/58/646226458.db2.gz BRPNZQWISTVUDI-UHFFFAOYSA-N 0 0 269.344 2.950 20 10 CFCDRN COc1ccc(/C=C/C(=O)NCc2ccccc2O)cc1 ZINC000133933445 646256782 /nfs/dbraw/zinc/25/67/82/646256782.db2.gz NKUHOUBPSROQBU-DHZHZOJOSA-N 0 0 283.327 2.730 20 10 CFCDRN CN(C(=O)c1ncsc1C1CC1)c1ccc(N)cc1 ZINC000884442209 646360307 /nfs/dbraw/zinc/36/03/07/646360307.db2.gz ZBSQIFNLBNACAZ-UHFFFAOYSA-N 0 0 273.361 2.879 20 10 CFCDRN COCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134906187 646402746 /nfs/dbraw/zinc/40/27/46/646402746.db2.gz KMUUDMXMDJWVBM-SSDOTTSWSA-N 0 0 264.152 2.996 20 10 CFCDRN COCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134906167 646402778 /nfs/dbraw/zinc/40/27/78/646402778.db2.gz KMUUDMXMDJWVBM-ZETCQYMHSA-N 0 0 264.152 2.996 20 10 CFCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2O)c1 ZINC000135358851 646521291 /nfs/dbraw/zinc/52/12/91/646521291.db2.gz GKYJYPJRRFGOJV-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN Cc1noc(C2CC2)c1NC(=O)c1ccc(C)c(O)c1O ZINC000135597035 646554611 /nfs/dbraw/zinc/55/46/11/646554611.db2.gz ISIBDVKMBLCYDA-UHFFFAOYSA-N 0 0 288.303 2.832 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCCc3cccnc32)c(O)c1O ZINC000885389429 646677470 /nfs/dbraw/zinc/67/74/70/646677470.db2.gz IRMPFCMYKQULHR-ZDUSSCGKSA-N 0 0 298.342 2.609 20 10 CFCDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000136402393 646787027 /nfs/dbraw/zinc/78/70/27/646787027.db2.gz IRDAPLSEUSHHEW-PSASIEDQSA-N 0 0 270.170 2.900 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@]23CCOC3)cc1OC ZINC000885965856 646788300 /nfs/dbraw/zinc/78/83/00/646788300.db2.gz WPIKPVUNJSVOII-WBMJQRKESA-N 0 0 277.364 2.567 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491966 647018006 /nfs/dbraw/zinc/01/80/06/647018006.db2.gz XVLYAGFTHGSCSN-VXGBXAGGSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]CCc1cccnc1)c1c([O-])cccc1F ZINC000886500282 647021339 /nfs/dbraw/zinc/02/13/39/647021339.db2.gz NHZAVPMVNOQZMK-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccccc1CO)c1c([O-])cccc1F ZINC000886511313 647023939 /nfs/dbraw/zinc/02/39/39/647023939.db2.gz POGMECXBOXZHNL-LLVKDONJSA-N 0 0 275.323 2.874 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886519435 647026475 /nfs/dbraw/zinc/02/64/75/647026475.db2.gz VDRPAFFXIWHLLZ-WDEREUQCSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886525999 647028686 /nfs/dbraw/zinc/02/86/86/647028686.db2.gz CJHMGNAPDFCDDC-KWBADKCTSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526644 647029979 /nfs/dbraw/zinc/02/99/79/647029979.db2.gz PGSSQVSZZUIBPR-HZMBPMFUSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886527857 647030674 /nfs/dbraw/zinc/03/06/74/647030674.db2.gz BINVVPHRWIRBIX-DGIBIBHMSA-N 0 0 287.400 2.729 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886528504 647031114 /nfs/dbraw/zinc/03/11/14/647031114.db2.gz NEIKTOPTLJCQJA-SMDDNHRTSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]CCOc1cccnc1)c1c([O-])cccc1F ZINC000886528940 647031184 /nfs/dbraw/zinc/03/11/84/647031184.db2.gz UHFDLAWBDOKWEI-LLVKDONJSA-N 0 0 276.311 2.656 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1c([O-])cccc1F ZINC000886533061 647033167 /nfs/dbraw/zinc/03/31/67/647033167.db2.gz UDXVVVGMXRQSAJ-WOPDTQHZSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1c([O-])cccc1F ZINC000886538279 647036751 /nfs/dbraw/zinc/03/67/51/647036751.db2.gz FOIIXYNUPJLODT-UHIISALHSA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1c([O-])cccc1F ZINC000886540491 647037412 /nfs/dbraw/zinc/03/74/12/647037412.db2.gz FXEZIMQZTWMEQQ-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886555114 647045565 /nfs/dbraw/zinc/04/55/65/647045565.db2.gz LHRRKLORFIYQAO-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886561928 647048007 /nfs/dbraw/zinc/04/80/07/647048007.db2.gz MPXIITVEWLUPOX-VXGBXAGGSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@H]([NH2+]CCOC(C)(C)C)c1c([O-])cccc1F ZINC000886568142 647049292 /nfs/dbraw/zinc/04/92/92/647049292.db2.gz BQGLXYVAUVDTIF-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1c([O-])cccc1F ZINC000886594255 647058811 /nfs/dbraw/zinc/05/88/11/647058811.db2.gz IVMMXYMRUBVRIE-DMDPSCGWSA-N 0 0 267.344 2.733 20 10 CFCDRN CO[C@@](C)(C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886612467 647066873 /nfs/dbraw/zinc/06/68/73/647066873.db2.gz LVYMZQPCEJSIKW-BONVTDFDSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886619220 647071683 /nfs/dbraw/zinc/07/16/83/647071683.db2.gz XBGSHWGNPLPQQM-HZMBPMFUSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)C(C)C ZINC000886626881 647075493 /nfs/dbraw/zinc/07/54/93/647075493.db2.gz NJGVMUXRXFIILD-ITDIGPHOSA-N 0 0 269.360 2.977 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1c([O-])cccc1F ZINC000886627201 647076285 /nfs/dbraw/zinc/07/62/85/647076285.db2.gz VURIYFVYHIHZCK-ZJUUUORDSA-N 0 0 288.313 2.521 20 10 CFCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)c1csnn1 ZINC000886626919 647076583 /nfs/dbraw/zinc/07/65/83/647076583.db2.gz ODLPSNQJBDGHQW-SFYZADRCSA-N 0 0 267.329 2.795 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886629352 647077494 /nfs/dbraw/zinc/07/74/94/647077494.db2.gz BPTXSQAOTOJXSA-TUAOUCFPSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1c([O-])cccc1F ZINC000886629373 647077529 /nfs/dbraw/zinc/07/75/29/647077529.db2.gz CFERALRLGYOUET-LLVKDONJSA-N 0 0 275.323 2.874 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c([O-])cccc1F ZINC000886644786 647085683 /nfs/dbraw/zinc/08/56/83/647085683.db2.gz KRCSMVHSLKBVTK-BFLSOPEQSA-N 0 0 253.317 2.748 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886650036 647088861 /nfs/dbraw/zinc/08/88/61/647088861.db2.gz NWBGHBICPLKBCY-OUAUKWLOSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1c([O-])cccc1F ZINC000886650041 647088868 /nfs/dbraw/zinc/08/88/68/647088868.db2.gz NYWXBIPOHKYWRI-GHMZBOCLSA-N 0 0 281.327 2.525 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886650601 647089218 /nfs/dbraw/zinc/08/92/18/647089218.db2.gz ZMFCGFQZEINFOV-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000886670090 647100955 /nfs/dbraw/zinc/10/09/55/647100955.db2.gz JCBRAYPMDSGJMD-YDHLFZDLSA-N 0 0 297.370 2.502 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@H](CCO)C(F)(F)F)c(O)c1 ZINC000886802177 647144641 /nfs/dbraw/zinc/14/46/41/647144641.db2.gz ZZFGLBHOZZPVMC-BXKDBHETSA-N 0 0 277.286 2.665 20 10 CFCDRN CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000887375358 647292211 /nfs/dbraw/zinc/29/22/11/647292211.db2.gz OBSBRBBULLEQGP-YWEYNIOJSA-N 0 0 275.348 2.663 20 10 CFCDRN CC1(C)CC2(CC(NC(=O)C3=CC(=O)CS3)C2)CO1 ZINC000889725178 647662124 /nfs/dbraw/zinc/66/21/24/647662124.db2.gz JUCBTAPOVGTAIK-UHFFFAOYSA-N 0 0 281.377 2.531 20 10 CFCDRN CC(C)n1cc([C@@H](C)NCc2ccc(N(C)C)cc2)nn1 ZINC000924572499 647997814 /nfs/dbraw/zinc/99/78/14/647997814.db2.gz CVYDWPCWAHFNEH-CYBMUJFWSA-N 0 0 287.411 2.776 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000926142861 648415849 /nfs/dbraw/zinc/41/58/49/648415849.db2.gz MFEGHOCJPDSVDM-WFASDCNBSA-N 0 0 289.379 2.596 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927016605 648684142 /nfs/dbraw/zinc/68/41/42/648684142.db2.gz IYJROKBHFWUNCZ-PWSUYJOCSA-N 0 0 282.340 2.502 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCc1c(O)cccc1F ZINC000928706098 648944657 /nfs/dbraw/zinc/94/46/57/648944657.db2.gz QCLCDVGXTJJCSX-LBPRGKRZSA-N 0 0 297.370 2.989 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1C1CCC1 ZINC000928706214 648944857 /nfs/dbraw/zinc/94/48/57/648944857.db2.gz OWKSMHKUNPXEKP-WDEREUQCSA-N 0 0 263.312 2.584 20 10 CFCDRN CCC(=CC(=O)NCc1c(O)cccc1F)CC ZINC000928706543 648944869 /nfs/dbraw/zinc/94/48/69/648944869.db2.gz WQRVMWPDVCFIMG-UHFFFAOYSA-N 0 0 251.301 2.894 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2c(O)cccc2F)on1 ZINC000928706588 648944948 /nfs/dbraw/zinc/94/49/48/648944948.db2.gz XXSOEESGIDQDIN-UHFFFAOYSA-N 0 0 278.283 2.573 20 10 CFCDRN Cc1nn(C(C)C)cc1C(=O)NCc1c(O)cccc1F ZINC000928706665 648945470 /nfs/dbraw/zinc/94/54/70/648945470.db2.gz UOVWLXPGDNXWLF-UHFFFAOYSA-N 0 0 291.326 2.547 20 10 CFCDRN O=C(CCCc1nccs1)NCc1c(O)cccc1F ZINC000928707117 648945652 /nfs/dbraw/zinc/94/56/52/648945652.db2.gz AHZDRMYUGZSHAE-UHFFFAOYSA-N 0 0 294.351 2.627 20 10 CFCDRN O=C(CCCc1ccccn1)NCc1c(O)cccc1F ZINC000928711131 648946490 /nfs/dbraw/zinc/94/64/90/648946490.db2.gz DWDLOKZSQKUGOH-UHFFFAOYSA-N 0 0 288.322 2.565 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnn(CCF)c1 ZINC000929238477 649010900 /nfs/dbraw/zinc/01/09/00/649010900.db2.gz VRKUALNOSDNDDT-UHFFFAOYSA-N 0 0 289.354 2.814 20 10 CFCDRN CC(C)c1nsc(CN(C)Cc2ccccc2O)n1 ZINC000929969515 649157231 /nfs/dbraw/zinc/15/72/31/649157231.db2.gz BYMDUDXAYXIXFI-UHFFFAOYSA-N 0 0 277.393 2.999 20 10 CFCDRN CCCC[N@H+](CCO[C@H]1CCOC1)Cc1ccccc1O ZINC000930350418 649235923 /nfs/dbraw/zinc/23/59/23/649235923.db2.gz HNUXETVOSWXFMM-INIZCTEOSA-N 0 0 293.407 2.800 20 10 CFCDRN O=C(Nc1cc2c(cn1)CCC2)N1Cc2cccc(O)c2C1 ZINC000931570380 649456001 /nfs/dbraw/zinc/45/60/01/649456001.db2.gz JSQCXWCFCHNDRI-UHFFFAOYSA-N 0 0 295.342 2.824 20 10 CFCDRN CCCCSCC(=O)N(C)c1ccc(N)cc1 ZINC000036332938 649583514 /nfs/dbraw/zinc/58/35/14/649583514.db2.gz FZBBBFDTCORKGC-UHFFFAOYSA-N 0 0 252.383 2.765 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCn3cccc3C2)c1O ZINC000932533473 649616072 /nfs/dbraw/zinc/61/60/72/649616072.db2.gz ZWPTYGXMCVSZJN-UHFFFAOYSA-N 0 0 288.322 2.551 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000934704638 649817718 /nfs/dbraw/zinc/81/77/18/649817718.db2.gz CNYFFOVPIZZRQJ-GDBMZVCRSA-N 0 0 289.375 2.698 20 10 CFCDRN 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779028143 /nfs/dbraw/zinc/02/81/43/779028143.db2.gz KTVAQSDLUPUEJP-GFCCVEGCSA-N 0 0 296.361 2.777 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155825 779030513 /nfs/dbraw/zinc/03/05/13/779030513.db2.gz STSFZFQZHSDQJI-ZDUSSCGKSA-N 0 0 296.361 2.777 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237410428 779101513 /nfs/dbraw/zinc/10/15/13/779101513.db2.gz CYPHVQYUPDCGFD-QMTHXVAHSA-N 0 0 298.789 2.759 20 10 CFCDRN CCc1ncnc2c1CC[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237488561 779119373 /nfs/dbraw/zinc/11/93/73/779119373.db2.gz NSGYNKWYBAFKSP-UHFFFAOYSA-N 0 0 297.402 2.654 20 10 CFCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622601 779147250 /nfs/dbraw/zinc/14/72/50/779147250.db2.gz VGASCDIKHLAZTF-KCJUWKMLSA-N 0 0 273.735 2.530 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2(CSC2)C1 ZINC001237624121 779147513 /nfs/dbraw/zinc/14/75/13/779147513.db2.gz YZOVTOJAXUHTBN-UHFFFAOYSA-N 0 0 273.760 2.734 20 10 CFCDRN 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Cn1ccc2ccc(-c3ccc(S(C)(=O)=O)nc3)cc21 ZINC001240574441 780265461 /nfs/dbraw/zinc/26/54/61/780265461.db2.gz LOJXHLYFYYXAOG-UHFFFAOYSA-N 0 0 286.356 2.644 20 10 CFCDRN Cc1nc(C(N)=O)ccc1-c1ccc2ccn(C)c2c1 ZINC001240574755 780265639 /nfs/dbraw/zinc/26/56/39/780265639.db2.gz BEHBXSIONDZHPN-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN Cn1ccc2ccc(-c3cncc4c3CC(=O)N4)cc21 ZINC001240575053 780265921 /nfs/dbraw/zinc/26/59/21/780265921.db2.gz QLSLQDMMLJOCRY-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN CN(C)C(=O)c1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240574593 780266497 /nfs/dbraw/zinc/26/64/97/780266497.db2.gz SPOCZOJCOJLSKV-UHFFFAOYSA-N 0 0 279.343 2.942 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccnc1C ZINC001117137750 780373471 /nfs/dbraw/zinc/37/34/71/780373471.db2.gz NTEJTKCHRUMPCB-UHFFFAOYSA-N 0 0 297.402 2.623 20 10 CFCDRN Cc1ncccc1-c1cc(=O)n(C)c2ccccc12 ZINC001240729579 780397233 /nfs/dbraw/zinc/39/72/33/780397233.db2.gz YWJMBLUSBQACOP-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2ccnc3c2ccn3C)cn1 ZINC001240760732 780424149 /nfs/dbraw/zinc/42/41/49/780424149.db2.gz RZRHNYOHKYESDJ-NSHDSACASA-N 0 0 270.336 2.992 20 10 CFCDRN Cc1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001240803484 780454606 /nfs/dbraw/zinc/45/46/06/780454606.db2.gz KHPTWKODXPMDJY-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cc1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001240803404 780454721 /nfs/dbraw/zinc/45/47/21/780454721.db2.gz GQSCMMTXABIQLX-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cn1ccc(-c2cncc3c(F)cccc32)cc1=O ZINC001240991408 780577850 /nfs/dbraw/zinc/57/78/50/780577850.db2.gz IQUGLCALCFRYDW-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN CCOC(=O)c1c[nH]c2c1cccc2-c1ccn(C)c(=O)c1 ZINC001240996036 780580248 /nfs/dbraw/zinc/58/02/48/780580248.db2.gz LDLGIDLTCFJOTB-UHFFFAOYSA-N 0 0 296.326 2.710 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000700014421 780651056 /nfs/dbraw/zinc/65/10/56/780651056.db2.gz MNEGOKVIECWXBE-ZIAGYGMSSA-N 0 0 260.381 2.610 20 10 CFCDRN [O-]c1c(C[NH2+]C(C2CC2)C2CC2)ccc(F)c1F ZINC000700766697 780723213 /nfs/dbraw/zinc/72/32/13/780723213.db2.gz YWBWPJVOGUCULI-UHFFFAOYSA-N 0 0 253.292 2.949 20 10 CFCDRN COC(=O)c1ncncc1C1=CCN(c2ccccc2)CC1 ZINC001241351723 780803066 /nfs/dbraw/zinc/80/30/66/780803066.db2.gz DWEDWVFFZULHLD-UHFFFAOYSA-N 0 0 295.342 2.557 20 10 CFCDRN Cn1cc(C2=CCN(c3ccccc3)CC2)cc(F)c1=O ZINC001241354298 780805785 /nfs/dbraw/zinc/80/57/85/780805785.db2.gz ITHOLEFMWDCXGG-UHFFFAOYSA-N 0 0 284.334 2.818 20 10 CFCDRN Cn1ccc2c1ncnc2-c1ccc(N2CCCC2)nc1 ZINC001241373915 780828888 /nfs/dbraw/zinc/82/88/88/780828888.db2.gz XIIDKRQMZBWJDF-UHFFFAOYSA-N 0 0 279.347 2.631 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCSC2)ccc(F)c1F ZINC000703259299 781000844 /nfs/dbraw/zinc/00/08/44/781000844.db2.gz VYFLXGGEWQILPS-QMMMGPOBSA-N 0 0 259.321 2.513 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CSCCS2)ccc(F)c1F ZINC000703276065 781001359 /nfs/dbraw/zinc/00/13/59/781001359.db2.gz PWRUHVRNUMBYMG-VIFPVBQESA-N 0 0 291.388 2.609 20 10 CFCDRN CC[C@H](CSC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703278134 781001576 /nfs/dbraw/zinc/00/15/76/781001576.db2.gz ZQFOMWRVMGEADL-SECBINFHSA-N 0 0 261.337 2.902 20 10 CFCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703272880 781001643 /nfs/dbraw/zinc/00/16/43/781001643.db2.gz IDNAZHSJJMASDM-KOLCDFICSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CS1 ZINC000703284159 781002357 /nfs/dbraw/zinc/00/23/57/781002357.db2.gz CGTWNNZZXHPTBT-CBAPKCEASA-N 0 0 259.321 2.654 20 10 CFCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703286309 781003274 /nfs/dbraw/zinc/00/32/74/781003274.db2.gz ODIMXDCJDLNPSI-NSHDSACASA-N 0 0 284.350 2.633 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCCSC2)ccc(F)c1F ZINC000703329859 781006630 /nfs/dbraw/zinc/00/66/30/781006630.db2.gz SWMBGNNECDRXJQ-SECBINFHSA-N 0 0 273.348 2.903 20 10 CFCDRN CC1(C)CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703295862 781006971 /nfs/dbraw/zinc/00/69/71/781006971.db2.gz OGULKCCEPLWXQW-SNVBAGLBSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703309707 781007799 /nfs/dbraw/zinc/00/77/99/781007799.db2.gz VAIUTVWQCVPGHH-VHSXEESVSA-N 0 0 271.307 2.575 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000703339556 781009142 /nfs/dbraw/zinc/00/91/42/781009142.db2.gz DFMFZNUPIBAEKM-SNVBAGLBSA-N 0 0 259.296 2.575 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000703539419 781025899 /nfs/dbraw/zinc/02/58/99/781025899.db2.gz BLODUSIKVIQQOJ-GXSJLCMTSA-N 0 0 271.307 2.670 20 10 CFCDRN CCOc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001241705632 781085588 /nfs/dbraw/zinc/08/55/88/781085588.db2.gz BABQLZIPMIYWIC-UHFFFAOYSA-N 0 0 298.264 2.871 20 10 CFCDRN Cn1ccc2c1cccc2-c1nc(F)nc2[nH]cnc21 ZINC001241819901 781143250 /nfs/dbraw/zinc/14/32/50/781143250.db2.gz XFLWKAFERNRNOC-UHFFFAOYSA-N 0 0 267.267 2.602 20 10 CFCDRN COC(OC)c1nccnc1-c1cccc2c1ccn2C ZINC001241820467 781143808 /nfs/dbraw/zinc/14/38/08/781143808.db2.gz FTOVSPDPCHEBPB-UHFFFAOYSA-N 0 0 283.331 2.927 20 10 CFCDRN CCOC(=O)c1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241821871 781144766 /nfs/dbraw/zinc/14/47/66/781144766.db2.gz NEHWKTARGVVOBQ-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN O=c1cc(-c2cnn(C3CC3)c2)ccn1CC(F)(F)F ZINC001241910647 781175958 /nfs/dbraw/zinc/17/59/58/781175958.db2.gz ZPHQUHZZUOZHFO-UHFFFAOYSA-N 0 0 283.253 2.609 20 10 CFCDRN C[C@H]1C[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706829982 781204735 /nfs/dbraw/zinc/20/47/35/781204735.db2.gz JJPWFMQXSWRSNY-IUCAKERBSA-N 0 0 270.170 2.900 20 10 CFCDRN C[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000707224411 781235366 /nfs/dbraw/zinc/23/53/66/781235366.db2.gz WOAVKQGLGCMQJD-GHMZBOCLSA-N 0 0 265.353 2.773 20 10 CFCDRN CCc1cccc(CN[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000707244290 781240754 /nfs/dbraw/zinc/24/07/54/781240754.db2.gz NRVGDMMIFKCOIK-LLVKDONJSA-N 0 0 279.380 2.774 20 10 CFCDRN O=c1ccc(-c2ccn(Cc3ccccc3F)c(=O)c2)c[nH]1 ZINC001242066625 781258906 /nfs/dbraw/zinc/25/89/06/781258906.db2.gz QNQLLTVATHEMSX-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN CCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000708389826 781272066 /nfs/dbraw/zinc/27/20/66/781272066.db2.gz MIECZYMZVCXGFW-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CO[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708413669 781273193 /nfs/dbraw/zinc/27/31/93/781273193.db2.gz MPSIQCXZRNABBI-ZANVPECISA-N 0 0 271.307 2.527 20 10 CFCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466133 781276413 /nfs/dbraw/zinc/27/64/13/781276413.db2.gz NLRUWHJQYRPWJW-WRWORJQWSA-N 0 0 259.321 2.512 20 10 CFCDRN COC(=O)c1cnc(-c2c(C)noc2C)c2ccn(C)c21 ZINC001242104706 781280875 /nfs/dbraw/zinc/28/08/75/781280875.db2.gz BVKUWBIIBDASNP-UHFFFAOYSA-N 0 0 285.303 2.632 20 10 CFCDRN Cc1noc(C)c1-c1ccc2ccc(=O)n(C)c2c1 ZINC001242109138 781284765 /nfs/dbraw/zinc/28/47/65/781284765.db2.gz BXJYTEKGAZOESD-UHFFFAOYSA-N 0 0 254.289 2.810 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708497856 781291181 /nfs/dbraw/zinc/29/11/81/781291181.db2.gz VQJJHCYJQLYUHX-NSHDSACASA-N 0 0 259.296 2.575 20 10 CFCDRN CCc1cccc(CNCc2nn(C)cc2Cl)c1O ZINC000709419025 781310851 /nfs/dbraw/zinc/31/08/51/781310851.db2.gz UOPPJVJLDFBNBO-UHFFFAOYSA-N 0 0 279.771 2.631 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000710647108 781346287 /nfs/dbraw/zinc/34/62/87/781346287.db2.gz XRZJJVQLBIMAQL-COPLHBTASA-N 0 0 259.353 2.827 20 10 CFCDRN CC1(C)CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])OC1 ZINC000711235088 781399533 /nfs/dbraw/zinc/39/95/33/781399533.db2.gz DOTJCXWLUGJIRL-NSHDSACASA-N 0 0 285.334 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711434037 781432817 /nfs/dbraw/zinc/43/28/17/781432817.db2.gz YRRKHZWBJPGZGE-LBPRGKRZSA-N 0 0 283.318 2.862 20 10 CFCDRN CC(C)n1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001242437085 781502593 /nfs/dbraw/zinc/50/25/93/781502593.db2.gz GVITXQIWBRWARF-UHFFFAOYSA-N 0 0 257.337 2.703 20 10 CFCDRN Cn1ccc2ncc(-c3cnn(C(F)(F)F)c3)cc21 ZINC001242465780 781521180 /nfs/dbraw/zinc/52/11/80/781521180.db2.gz POSFDKDWJVAPRT-UHFFFAOYSA-N 0 0 266.226 2.913 20 10 CFCDRN Cc1nc([C@H]2CCCCN2C(=O)C2=CC(=O)CS2)no1 ZINC001118681093 781704665 /nfs/dbraw/zinc/70/46/65/781704665.db2.gz QKFCAOXEQZFQFV-SNVBAGLBSA-N 0 0 293.348 2.513 20 10 CFCDRN O=c1cc(-c2c[nH]c3ncccc23)ccn1CC(F)(F)F ZINC001242863414 781808083 /nfs/dbraw/zinc/80/80/83/781808083.db2.gz BFRDWXQMWQBMFX-UHFFFAOYSA-N 0 0 293.248 2.954 20 10 CFCDRN Cc1cc(-c2ccnc3c2CCN3)ccc1N1CCOCC1 ZINC001242885274 781823056 /nfs/dbraw/zinc/82/30/56/781823056.db2.gz QGAKXDOUTIHQPE-UHFFFAOYSA-N 0 0 295.386 2.504 20 10 CFCDRN COc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)c(C)n1 ZINC001242928899 781851410 /nfs/dbraw/zinc/85/14/10/781851410.db2.gz GKWHTZKYKRDJDK-UHFFFAOYSA-N 0 0 298.264 2.790 20 10 CFCDRN COC(=O)c1ncc(-c2ccc(C3=S=CC=C3)cc2)cn1 ZINC001243009310 781918758 /nfs/dbraw/zinc/91/87/58/781918758.db2.gz XMLICYJPSQVOFV-UHFFFAOYSA-N 0 0 296.351 2.556 20 10 CFCDRN COc1ccc(N(CC(=O)N(C)C)Cc2ccccc2)cc1 ZINC000096982119 185145748 /nfs/dbraw/zinc/14/57/48/185145748.db2.gz YHORKFLFUXIPNN-UHFFFAOYSA-N 0 0 298.386 2.790 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)on1 ZINC000072647501 346934476 /nfs/dbraw/zinc/93/44/76/346934476.db2.gz LFWAHVVPTGKMPO-UHFFFAOYSA-N 0 0 287.363 2.794 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000295037790 199314021 /nfs/dbraw/zinc/31/40/21/199314021.db2.gz PDNZYAMMLJEPQD-ZANVPECISA-N 0 0 282.340 2.501 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)SC ZINC000043007619 346376899 /nfs/dbraw/zinc/37/68/99/346376899.db2.gz GGOBAYIKQZDORD-LBPRGKRZSA-N 0 0 280.437 2.853 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@@H]1C ZINC000047099533 346444964 /nfs/dbraw/zinc/44/49/64/346444964.db2.gz WKILZUFSHOEYPW-ZFWWWQNUSA-N 0 0 289.423 2.940 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C ZINC000047099535 346445068 /nfs/dbraw/zinc/44/50/68/346445068.db2.gz WKILZUFSHOEYPW-HIFRSBDPSA-N 0 0 289.423 2.940 20 10 CFCDRN CCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055877420 346598152 /nfs/dbraw/zinc/59/81/52/346598152.db2.gz GYUUVEVHWTZBGV-UHFFFAOYSA-N 0 0 290.407 2.924 20 10 CFCDRN CC(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730510 346649389 /nfs/dbraw/zinc/64/93/89/346649389.db2.gz WMCOLNWDGARCGB-UHFFFAOYSA-N 0 0 252.333 2.554 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccccn2)cc1 ZINC000063240840 346697811 /nfs/dbraw/zinc/69/78/11/346697811.db2.gz VXOLJODWRPJIPQ-UHFFFAOYSA-N 0 0 297.402 2.739 20 10 CFCDRN CCO[C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000065514007 346735161 /nfs/dbraw/zinc/73/51/61/346735161.db2.gz BEUQVBDLQSWJSE-CYBMUJFWSA-N 0 0 278.396 2.526 20 10 CFCDRN COc1ccc(O)c(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000092654518 347637121 /nfs/dbraw/zinc/63/71/21/347637121.db2.gz LSLKPFIAPLXSBU-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)O ZINC000093414582 347673197 /nfs/dbraw/zinc/67/31/97/347673197.db2.gz HVIIZBGPQSWEMH-UHFFFAOYSA-N 0 0 278.179 2.902 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccoc1 ZINC000298404393 540141855 /nfs/dbraw/zinc/14/18/55/540141855.db2.gz OKMUMADTLFDZME-UHFFFAOYSA-N 0 0 270.332 2.810 20 10 CFCDRN CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1O ZINC000184920528 283112536 /nfs/dbraw/zinc/11/25/36/283112536.db2.gz OFKSTTYVVWUILL-UHFFFAOYSA-N 0 0 299.754 2.545 20 10 CFCDRN CC/C(C)=C/C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294677798 199129696 /nfs/dbraw/zinc/12/96/96/199129696.db2.gz JOLNKLCCSIHAMX-DHZHZOJOSA-N 0 0 264.344 2.864 20 10 CFCDRN C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(F)c(F)c1[O-] ZINC000284237096 299287887 /nfs/dbraw/zinc/28/78/87/299287887.db2.gz DUQSNKUWFZSEDB-VIFPVBQESA-N 0 0 271.307 2.626 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccoc2)cc1 ZINC000053284278 540431361 /nfs/dbraw/zinc/43/13/61/540431361.db2.gz GSGCAKZHPSMETG-UHFFFAOYSA-N 0 0 258.321 2.618 20 10 CFCDRN C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000297163873 200101849 /nfs/dbraw/zinc/10/18/49/200101849.db2.gz DAMHPPFHXILPBH-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnccc2Cl)n1 ZINC001243041886 781946070 /nfs/dbraw/zinc/94/60/70/781946070.db2.gz JILSSAIALQPBJD-UHFFFAOYSA-N 0 0 258.712 2.992 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(F)c(F)c1[O-] ZINC000276933587 299344208 /nfs/dbraw/zinc/34/42/08/299344208.db2.gz ONORHLINLKEREC-GUBZILKMSA-N 0 0 271.307 2.746 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276919425 284020918 /nfs/dbraw/zinc/02/09/18/284020918.db2.gz MDTQHTPEFJHRGO-XPTSAGLGSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000275999395 299396588 /nfs/dbraw/zinc/39/65/88/299396588.db2.gz AGNRHILLDIZFRY-PKFCDNJMSA-N 0 0 296.361 2.804 20 10 CFCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cn[nH]c1 ZINC000676866612 541800441 /nfs/dbraw/zinc/80/04/41/541800441.db2.gz KHMOTOZRYLZQQI-YHYXMXQVSA-N 0 0 298.733 2.717 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000019256024 372150911 /nfs/dbraw/zinc/15/09/11/372150911.db2.gz PIOLDEYAWWHAQP-LBPRGKRZSA-N 0 0 254.333 2.689 20 10 CFCDRN COC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C ZINC000049870277 373325818 /nfs/dbraw/zinc/32/58/18/373325818.db2.gz PIKGOHAAUUTFNF-UHFFFAOYSA-N 0 0 276.361 2.971 20 10 CFCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1cc(F)ccc1F ZINC000493636945 246650355 /nfs/dbraw/zinc/65/03/55/246650355.db2.gz ZYZWPUUMJJSIQA-UTCJRWHESA-N 0 0 276.286 2.980 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C\c1cncs1 ZINC000493668499 246662862 /nfs/dbraw/zinc/66/28/62/246662862.db2.gz ZOWLWCXCPFVIAO-HJWRWDBZSA-N 0 0 287.388 2.885 20 10 CFCDRN CCc1nn(C)c(Cl)c1CN(C)Cc1ccccc1O ZINC000091956493 375073736 /nfs/dbraw/zinc/07/37/36/375073736.db2.gz BSCWTIHEEUQIKU-UHFFFAOYSA-N 0 0 293.798 2.974 20 10 CFCDRN Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000097178948 375536582 /nfs/dbraw/zinc/53/65/82/375536582.db2.gz OGSFCWABLXTMCW-CYBMUJFWSA-N 0 0 286.375 2.513 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCOCC2)cc1 ZINC000117233744 376231593 /nfs/dbraw/zinc/23/15/93/376231593.db2.gz SIARUHWUDPUBGP-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN COc1cc(N(C)CCOC(C)(C)C)cc(OC)c1OC ZINC000125751098 377189840 /nfs/dbraw/zinc/18/98/40/377189840.db2.gz GOQQSCJZKGKJCL-UHFFFAOYSA-N 0 0 297.395 2.964 20 10 CFCDRN CC(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127992727 377313015 /nfs/dbraw/zinc/31/30/15/377313015.db2.gz BKRCEPAZLUKHFY-UHFFFAOYSA-N 0 0 287.407 2.908 20 10 CFCDRN C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134899658 299487048 /nfs/dbraw/zinc/48/70/48/299487048.db2.gz SJXSAVLYCZQYMM-BQBZGAKWSA-N 0 0 264.152 2.730 20 10 CFCDRN Cc1ccc(O)c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000131532738 377724205 /nfs/dbraw/zinc/72/42/05/377724205.db2.gz FLRUIFYQAXOSNN-LBPRGKRZSA-N 0 0 279.380 2.863 20 10 CFCDRN CCCc1nc(CN(C)c2ccc(OC)cc2OC)no1 ZINC000131848168 377768013 /nfs/dbraw/zinc/76/80/13/377768013.db2.gz OSDYMDKMODXJNB-UHFFFAOYSA-N 0 0 291.351 2.676 20 10 CFCDRN COCCN(CCCF)c1ccc(OC)c(OC)c1 ZINC000137660972 378228820 /nfs/dbraw/zinc/22/88/20/378228820.db2.gz AESSWHIJJSWRBI-UHFFFAOYSA-N 0 0 271.332 2.516 20 10 CFCDRN Nc1ccc(CC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000152196632 378402381 /nfs/dbraw/zinc/40/23/81/378402381.db2.gz FKROGRPKWREAMC-RRFJBIMHSA-N 0 0 272.392 2.754 20 10 CFCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171809032 379407741 /nfs/dbraw/zinc/40/77/41/379407741.db2.gz ASHRFNDZSDIHKZ-CYBMUJFWSA-N 0 0 277.412 2.940 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CC1(F)F ZINC000335545059 379487441 /nfs/dbraw/zinc/48/74/41/379487441.db2.gz ROEJVICNVXAYIJ-CQSZACIVSA-N 0 0 296.317 2.523 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C=O)[nH]1 ZINC000175174943 380013466 /nfs/dbraw/zinc/01/34/66/380013466.db2.gz PQMZCKOSZIDDQG-UHFFFAOYSA-N 0 0 299.374 2.556 20 10 CFCDRN CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)C)C1=O ZINC000175284058 380038227 /nfs/dbraw/zinc/03/82/27/380038227.db2.gz ZGLCEDDBLBMZGE-OAHLLOKOSA-N 0 0 290.407 2.614 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cc(C)on2)c1O ZINC000175580118 380092231 /nfs/dbraw/zinc/09/22/31/380092231.db2.gz CEEYHJRMNDLPHN-UHFFFAOYSA-N 0 0 292.310 2.662 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000178617113 380470666 /nfs/dbraw/zinc/47/06/66/380470666.db2.gz KNNOCSDZHRHLJN-VXGBXAGGSA-N 0 0 293.386 2.832 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179875113 380589742 /nfs/dbraw/zinc/58/97/42/380589742.db2.gz OOAQJIFXKZTODD-CJNGLKHVSA-N 0 0 296.370 2.848 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180634754 380684400 /nfs/dbraw/zinc/68/44/00/380684400.db2.gz LWAKELYQXCWSFU-JHLBCPEASA-N 0 0 275.348 2.806 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000180817676 380703013 /nfs/dbraw/zinc/70/30/13/380703013.db2.gz HEUIPKGXBHQMGO-CYUPMTOZSA-N 0 0 287.359 2.902 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccncc1 ZINC000181220307 380759837 /nfs/dbraw/zinc/75/98/37/380759837.db2.gz LDBNKXZDWWFGIG-UHFFFAOYSA-N 0 0 298.346 2.579 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180975972 380719634 /nfs/dbraw/zinc/71/96/34/380719634.db2.gz SMACGFZTTJKCKA-AQKAQLFCSA-N 0 0 263.337 2.662 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc(C)no2)cc1 ZINC000181523586 380814921 /nfs/dbraw/zinc/81/49/21/380814921.db2.gz KILZZICPNRTAPI-UHFFFAOYSA-N 0 0 260.341 2.836 20 10 CFCDRN COC(=O)c1cnc(SCC[C@@H]2CCCC2=O)s1 ZINC000295380991 380820658 /nfs/dbraw/zinc/82/06/58/380820658.db2.gz UAGIUBSMAGIKJN-QMMMGPOBSA-N 0 0 285.390 2.781 20 10 CFCDRN C[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295433762 380853131 /nfs/dbraw/zinc/85/31/31/380853131.db2.gz TXKLSPZJNBAWIF-BDAKNGLRSA-N 0 0 273.735 2.794 20 10 CFCDRN CC(C)OCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181884983 380927574 /nfs/dbraw/zinc/92/75/74/380927574.db2.gz QWRJZFUNHDBKJD-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc([C@H]3CCCO3)o2)c1 ZINC000181798478 380898591 /nfs/dbraw/zinc/89/85/91/380898591.db2.gz OWIDGDXTOSPDSM-GFCCVEGCSA-N 0 0 275.308 2.547 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3cccc(O)c3)ccc21 ZINC000182254816 381041699 /nfs/dbraw/zinc/04/16/99/381041699.db2.gz JWBCNMKNRSQVEE-UHFFFAOYSA-N 0 0 296.370 2.705 20 10 CFCDRN Cc1nccn1C[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182462313 381093188 /nfs/dbraw/zinc/09/31/88/381093188.db2.gz RBMQTVPTDPNZSN-LLVKDONJSA-N 0 0 293.798 2.976 20 10 CFCDRN Cc1ccc(C[C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182532976 381106194 /nfs/dbraw/zinc/10/61/94/381106194.db2.gz NRTAVFDQBYUGED-ZDUSSCGKSA-N 0 0 299.370 2.901 20 10 CFCDRN CC[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000182636927 381127155 /nfs/dbraw/zinc/12/71/55/381127155.db2.gz XEFGOHKJWKOHHO-ZBFHGGJFSA-N 0 0 290.407 2.574 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H](O)CCC(C)C)s1 ZINC000295949130 381173782 /nfs/dbraw/zinc/17/37/82/381173782.db2.gz IOKYMYQNGFSAHW-VIFPVBQESA-N 0 0 289.422 2.819 20 10 CFCDRN CCc1onc(C)c1NC(=O)c1ccc(C)c(O)c1O ZINC000182943519 381188966 /nfs/dbraw/zinc/18/89/66/381188966.db2.gz BDYOKSZYFZWRKT-UHFFFAOYSA-N 0 0 276.292 2.517 20 10 CFCDRN CCC(CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183457667 381273243 /nfs/dbraw/zinc/27/32/43/381273243.db2.gz KCMYHEKBPQLXSU-SNVBAGLBSA-N 0 0 265.353 2.581 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C=CCC1 ZINC000183482995 381277542 /nfs/dbraw/zinc/27/75/42/381277542.db2.gz UWVAXRMNDQGMRJ-RYUDHWBXSA-N 0 0 275.348 2.501 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183481113 381277694 /nfs/dbraw/zinc/27/76/94/381277694.db2.gz YLMADFIFNCRDSY-SECBINFHSA-N 0 0 291.372 2.829 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccon1 ZINC000183494523 381279745 /nfs/dbraw/zinc/27/97/45/381279745.db2.gz RKPTWRLDVQRFJD-UHFFFAOYSA-N 0 0 286.335 2.597 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000296241010 381315606 /nfs/dbraw/zinc/31/56/06/381315606.db2.gz AVOMBXMCAVSJGC-SECBINFHSA-N 0 0 287.306 2.875 20 10 CFCDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000290266654 381364023 /nfs/dbraw/zinc/36/40/23/381364023.db2.gz VTSOXHPNAVCGTK-BDAKNGLRSA-N 0 0 259.296 2.746 20 10 CFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cc[nH]n1 ZINC000184748603 381473282 /nfs/dbraw/zinc/47/32/82/381473282.db2.gz KVLDGKFFKQWKQE-UHFFFAOYSA-N 0 0 279.290 2.964 20 10 CFCDRN CCC1([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000296636719 381483605 /nfs/dbraw/zinc/48/36/05/381483605.db2.gz XUISLWVKZYTZIZ-JTQLQIEISA-N 0 0 263.337 2.772 20 10 CFCDRN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000184701230 381462980 /nfs/dbraw/zinc/46/29/80/381462980.db2.gz PFNAGVVCXGATGN-SNVBAGLBSA-N 0 0 285.771 2.523 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000184701017 381463008 /nfs/dbraw/zinc/46/30/08/381463008.db2.gz BBYCEUFRCXIQHF-OAHLLOKOSA-N 0 0 297.782 2.667 20 10 CFCDRN CC[C@H]([NH2+]Cc1nccn1CC)c1ccc(F)cc1[O-] ZINC000296597941 381465204 /nfs/dbraw/zinc/46/52/04/381465204.db2.gz VJRBDOKBSZYYSM-ZDUSSCGKSA-N 0 0 277.343 2.989 20 10 CFCDRN COc1cccc(CNC(=O)[C@H](C)CC(C)C)c1O ZINC000184881080 381490687 /nfs/dbraw/zinc/49/06/87/381490687.db2.gz ZGHAXCYHECBSJO-LLVKDONJSA-N 0 0 265.353 2.699 20 10 CFCDRN Nc1ccc(CNC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000297132004 381550625 /nfs/dbraw/zinc/55/06/25/381550625.db2.gz HLQGCPNHYNNHTP-UHFFFAOYSA-N 0 0 280.371 2.908 20 10 CFCDRN COc1ccccc1C(C)(C)C(=O)NCc1ccc(N)cc1 ZINC000297113931 381551273 /nfs/dbraw/zinc/55/12/73/381551273.db2.gz GAOLPLZGRSRDQW-UHFFFAOYSA-N 0 0 298.386 2.871 20 10 CFCDRN Cc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000348450458 381574642 /nfs/dbraw/zinc/57/46/42/381574642.db2.gz ZFOCODQIQIOKKR-UHFFFAOYSA-N 0 0 298.346 2.527 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(n2)CCC3)c(O)c1O ZINC000297176529 381553011 /nfs/dbraw/zinc/55/30/11/381553011.db2.gz NQMJSLZQTDMJDJ-UHFFFAOYSA-N 0 0 284.315 2.542 20 10 CFCDRN CCC[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000297192130 381553176 /nfs/dbraw/zinc/55/31/76/381553176.db2.gz FMIYLNFFLPVSJB-DGCLKSJQSA-N 0 0 295.379 2.645 20 10 CFCDRN COc1ccc(CCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297186302 381553888 /nfs/dbraw/zinc/55/38/88/381553888.db2.gz LLUKKOIZMSUSDS-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185349495 381608141 /nfs/dbraw/zinc/60/81/41/381608141.db2.gz LFJBXCFSVBBZIE-NXEZZACHSA-N 0 0 277.343 2.985 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000371412335 381617999 /nfs/dbraw/zinc/61/79/99/381617999.db2.gz UPUPKDSPYIDETE-MRXNPFEDSA-N 0 0 296.418 2.922 20 10 CFCDRN C[C@@H]([NH2+]CCCCCCO)c1ccc(F)cc1[O-] ZINC000186231201 381859668 /nfs/dbraw/zinc/85/96/68/381859668.db2.gz BJTHDRXGWZUZIW-LLVKDONJSA-N 0 0 255.333 2.735 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CC1)C1CC1 ZINC000186416128 381905326 /nfs/dbraw/zinc/90/53/26/381905326.db2.gz YQDDYXYLBOBNTN-JTQLQIEISA-N 0 0 289.375 2.581 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1F ZINC000299367401 381911928 /nfs/dbraw/zinc/91/19/28/381911928.db2.gz ZIDBOSQVWFTIGL-GFCCVEGCSA-N 0 0 276.355 2.864 20 10 CFCDRN Cn1cc(NCc2ccccc2O)c(-c2ccccn2)n1 ZINC000374639960 382050950 /nfs/dbraw/zinc/05/09/50/382050950.db2.gz BRIMMSGJSNPSQL-UHFFFAOYSA-N 0 0 280.331 2.800 20 10 CFCDRN Cc1ccc(C(=O)N2CCC=C(c3ccco3)C2)c(O)c1O ZINC000376038811 382116693 /nfs/dbraw/zinc/11/66/93/382116693.db2.gz YUIZESSCWBVHNH-UHFFFAOYSA-N 0 0 299.326 2.929 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000375252480 382073802 /nfs/dbraw/zinc/07/38/02/382073802.db2.gz IPMIPJOUEMTUAU-MLGOLLRUSA-N 0 0 277.364 2.574 20 10 CFCDRN C[C@@H]1[N@H+](Cc2ccccc2O)CCC12CCOCC2 ZINC000375240468 382074299 /nfs/dbraw/zinc/07/42/99/382074299.db2.gz XIAUKKUOYITJNK-ZDUSSCGKSA-N 0 0 261.365 2.783 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N(C)C1CC1 ZINC000293562898 382175354 /nfs/dbraw/zinc/17/53/54/382175354.db2.gz IFJAIRHGIVQWLD-VIFPVBQESA-N 0 0 286.778 2.757 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000293567658 382178854 /nfs/dbraw/zinc/17/88/54/382178854.db2.gz DGVFDLTZTGUYDK-NSHDSACASA-N 0 0 257.761 2.950 20 10 CFCDRN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc(F)c1[O-] ZINC000376536027 382140735 /nfs/dbraw/zinc/14/07/35/382140735.db2.gz SKLTUMQUKGLERH-AWEZNQCLSA-N 0 0 289.354 2.774 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1CC1 ZINC000293579282 382184324 /nfs/dbraw/zinc/18/43/24/382184324.db2.gz JPKAHEQXVDKLFX-KOLCDFICSA-N 0 0 298.789 2.900 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C)ncn1 ZINC000301771719 382190904 /nfs/dbraw/zinc/19/09/04/382190904.db2.gz PLVKVDLTJSPQSJ-UHFFFAOYSA-N 0 0 270.380 2.878 20 10 CFCDRN CN1Cc2cc(NCc3ccccc3O)ccc2NC1=O ZINC000187479633 382192278 /nfs/dbraw/zinc/19/22/78/382192278.db2.gz LRJOZZACRPXLGP-UHFFFAOYSA-N 0 0 283.331 2.982 20 10 CFCDRN Cc1cc(CN2CCC[C@@H]2c2nncn2C)ccc1N(C)C ZINC000293813622 382289847 /nfs/dbraw/zinc/28/98/47/382289847.db2.gz OJOXOQAGTYTCTA-MRXNPFEDSA-N 0 0 299.422 2.527 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000377236949 382240327 /nfs/dbraw/zinc/24/03/27/382240327.db2.gz GWXLGRCVXJWKNJ-ZFWWWQNUSA-N 0 0 291.391 2.649 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187753623 382262840 /nfs/dbraw/zinc/26/28/40/382262840.db2.gz JWBUOCCCBGHOJZ-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293859909 382309780 /nfs/dbraw/zinc/30/97/80/382309780.db2.gz XQODRHMFHXJFTD-VIFPVBQESA-N 0 0 299.317 2.875 20 10 CFCDRN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293893995 382326811 /nfs/dbraw/zinc/32/68/11/382326811.db2.gz DWMZXSOLEXJFRQ-XPTSAGLGSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1ccc(O)c(CN2CCOC[C@@H]2c2ccco2)c1 ZINC000378337365 382439489 /nfs/dbraw/zinc/43/94/89/382439489.db2.gz AUVTUMPRPOUDMU-CQSZACIVSA-N 0 0 273.332 2.867 20 10 CFCDRN Cc1nccn1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294175177 382446307 /nfs/dbraw/zinc/44/63/07/382446307.db2.gz JIISQMOJYAHBRV-UHFFFAOYSA-N 0 0 297.761 2.870 20 10 CFCDRN C[C@H]1CN(Cc2ccccc2O)c2ccccc2C(=O)N1 ZINC000378127728 382403037 /nfs/dbraw/zinc/40/30/37/382403037.db2.gz LVQNWLXMYHZMLA-LBPRGKRZSA-N 0 0 282.343 2.531 20 10 CFCDRN Cc1cccc(CN2C[C@@H](C)NC(=O)c3ccccc32)c1O ZINC000378127315 382403271 /nfs/dbraw/zinc/40/32/71/382403271.db2.gz KJFIPYYFYIZPFD-CYBMUJFWSA-N 0 0 296.370 2.839 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cccnc3)C2)cc1 ZINC000378371984 382449305 /nfs/dbraw/zinc/44/93/05/382449305.db2.gz TWZOIPGXFGKQMV-UHFFFAOYSA-N 0 0 293.370 2.687 20 10 CFCDRN COC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000378443371 382461703 /nfs/dbraw/zinc/46/17/03/382461703.db2.gz MVVFPURIKKIZEP-LLVKDONJSA-N 0 0 297.782 2.677 20 10 CFCDRN Oc1ccc(F)cc1CN[C@H]1COc2cccc(F)c21 ZINC000378632270 382496060 /nfs/dbraw/zinc/49/60/60/382496060.db2.gz LGTRLBZAHKJCQW-LBPRGKRZSA-N 0 0 277.270 2.894 20 10 CFCDRN COc1ccc(N(CC(OC)OC)C(C)C)cc1F ZINC000189102547 382542034 /nfs/dbraw/zinc/54/20/34/382542034.db2.gz SMYUTCBKFIOIBM-UHFFFAOYSA-N 0 0 271.332 2.668 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000294926680 382544951 /nfs/dbraw/zinc/54/49/51/382544951.db2.gz HEMRPABFSFJHPT-JTQLQIEISA-N 0 0 275.327 2.523 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000295104161 382577175 /nfs/dbraw/zinc/57/71/75/382577175.db2.gz WMLKINXQMQSMGN-SECBINFHSA-N 0 0 293.317 2.662 20 10 CFCDRN CCC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295304068 382612382 /nfs/dbraw/zinc/61/23/82/382612382.db2.gz RFXWZVGXPAJFKC-UHFFFAOYSA-N 0 0 281.327 2.889 20 10 CFCDRN Cc1csc([C@@H]2COCCN2Cc2ccccc2O)n1 ZINC000190404026 382666353 /nfs/dbraw/zinc/66/63/53/382666353.db2.gz MCAJAVMHQALKSC-ZDUSSCGKSA-N 0 0 290.388 2.731 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC[C@H](C)O2)cc1F ZINC000190687049 382677946 /nfs/dbraw/zinc/67/79/46/382677946.db2.gz FADRCDHMUIDDRJ-JQWIXIFHSA-N 0 0 253.317 2.838 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C)O2)cc1F ZINC000190687035 382677966 /nfs/dbraw/zinc/67/79/66/382677966.db2.gz FADRCDHMUIDDRJ-PWSUYJOCSA-N 0 0 253.317 2.838 20 10 CFCDRN Nc1ccc(CC(=O)NCCCC2CCCC2)cc1 ZINC000224081470 382809087 /nfs/dbraw/zinc/80/90/87/382809087.db2.gz SFBXMQUMWMSWPH-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN COc1ccc(N(CC2CC2)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000493701349 382878538 /nfs/dbraw/zinc/87/85/38/382878538.db2.gz ZZQRCEIYDATOFE-RUDMXATFSA-N 0 0 297.358 2.875 20 10 CFCDRN Cn1cc(-c2c[nH]cc2C(=O)N2CCc3ccccc32)cn1 ZINC000426602210 383406703 /nfs/dbraw/zinc/40/67/03/383406703.db2.gz FNIXHCXCJOWSTM-UHFFFAOYSA-N 0 0 292.342 2.618 20 10 CFCDRN CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000279034788 384606205 /nfs/dbraw/zinc/60/62/05/384606205.db2.gz ITYGDGZYOVGGTJ-VIFPVBQESA-N 0 0 282.365 2.847 20 10 CFCDRN CCN(Cc1cc(=O)c(OC)co1)c1ccc(OC)cc1 ZINC000268515607 384629319 /nfs/dbraw/zinc/62/93/19/384629319.db2.gz DFQVLAPHARLCGK-UHFFFAOYSA-N 0 0 289.331 2.684 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@H]2CNC(=O)O2)s1 ZINC000268311012 384599059 /nfs/dbraw/zinc/59/90/59/384599059.db2.gz JYZGAMAPKOMLKF-SSDOTTSWSA-N 0 0 272.395 2.641 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccccc1 ZINC000268852057 384675027 /nfs/dbraw/zinc/67/50/27/384675027.db2.gz PEVUKZQCIIYPIA-GFCCVEGCSA-N 0 0 286.375 2.595 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(C)c2)cc1 ZINC000268657930 384644071 /nfs/dbraw/zinc/64/40/71/384644071.db2.gz XKMMUBNDBCIDLU-UHFFFAOYSA-N 0 0 285.391 2.801 20 10 CFCDRN CCCC(O)(CCC)CC(=O)NCc1ccccc1O ZINC000269164396 384732399 /nfs/dbraw/zinc/73/23/99/384732399.db2.gz WBJWHSUOUWZUFP-UHFFFAOYSA-N 0 0 279.380 2.730 20 10 CFCDRN COc1cc(C)nc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000270343415 385062496 /nfs/dbraw/zinc/06/24/96/385062496.db2.gz UZDTZQODPIHUBS-UHFFFAOYSA-N 0 0 286.331 2.764 20 10 CFCDRN CC(C)[N@H+](CC(N)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000271042972 385315641 /nfs/dbraw/zinc/31/56/41/385315641.db2.gz PJVYHIUOPNSLBW-UHFFFAOYSA-N 0 0 298.386 2.755 20 10 CFCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccn(C)c2)C1 ZINC000282273238 385267367 /nfs/dbraw/zinc/26/73/67/385267367.db2.gz XOMKNPGUNDNATI-WAVCKPEOSA-N 0 0 296.370 2.643 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1csnn1 ZINC000282621197 385355553 /nfs/dbraw/zinc/35/55/53/385355553.db2.gz ZVOKCAIGHFDODD-UHFFFAOYSA-N 0 0 291.376 2.686 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000271751026 385390086 /nfs/dbraw/zinc/39/00/86/385390086.db2.gz VIGGXKVFJCYMGW-AAEUAGOBSA-N 0 0 289.297 2.588 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCOC ZINC000282713709 385375733 /nfs/dbraw/zinc/37/57/33/385375733.db2.gz VYCFRKNYPJVEDL-UHFFFAOYSA-N 0 0 294.395 2.740 20 10 CFCDRN CCn1nc(C)c(NC(=O)NCc2ccccc2O)c1C ZINC000271430077 385382135 /nfs/dbraw/zinc/38/21/35/385382135.db2.gz XGMFNDBYDBQJDQ-UHFFFAOYSA-N 0 0 288.351 2.547 20 10 CFCDRN CN(C)c1ccc(CNc2nnc(C3CC3)o2)cc1F ZINC000271955016 385410555 /nfs/dbraw/zinc/41/05/55/385410555.db2.gz DBAAOIBBTTWRJK-UHFFFAOYSA-N 0 0 276.315 2.764 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CC2)c2ccccc21 ZINC000284156283 385542075 /nfs/dbraw/zinc/54/20/75/385542075.db2.gz WWYSJQQKKPXGLA-AATRIKPKSA-N 0 0 265.316 2.501 20 10 CFCDRN CCN(Cc1nccn1C)Cc1ccc(N(C)C)cc1 ZINC000272613305 385575811 /nfs/dbraw/zinc/57/58/11/385575811.db2.gz IAVMCWHQSANVFT-UHFFFAOYSA-N 0 0 272.396 2.508 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000285996491 385558694 /nfs/dbraw/zinc/55/86/94/385558694.db2.gz IIORXSCAIIBSKO-ZWNOBZJWSA-N 0 0 254.349 2.522 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000285994562 385558847 /nfs/dbraw/zinc/55/88/47/385558847.db2.gz HDVOKTOTWVWBKW-KBPBESRZSA-N 0 0 294.370 2.581 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000285996487 385559000 /nfs/dbraw/zinc/55/90/00/385559000.db2.gz IIORXSCAIIBSKO-GXFFZTMASA-N 0 0 254.349 2.522 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000285994584 385559017 /nfs/dbraw/zinc/55/90/17/385559017.db2.gz HDVOKTOTWVWBKW-UONOGXRCSA-N 0 0 294.370 2.581 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286204469 385571849 /nfs/dbraw/zinc/57/18/49/385571849.db2.gz RMVPHAGCJMZRCW-GXTWGEPZSA-N 0 0 294.370 2.581 20 10 CFCDRN Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2)c(O)c1O ZINC000272750765 385603877 /nfs/dbraw/zinc/60/38/77/385603877.db2.gz OFTNDOOVEPRCLK-UHFFFAOYSA-N 0 0 289.335 2.511 20 10 CFCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)[nH]1 ZINC000272782521 385614391 /nfs/dbraw/zinc/61/43/91/385614391.db2.gz WDOWIBSQLJSALF-UHFFFAOYSA-N 0 0 292.310 2.585 20 10 CFCDRN Cc1cc(Cl)cc(CN(C)Cc2nccn2C)c1O ZINC000272809394 385621359 /nfs/dbraw/zinc/62/13/59/385621359.db2.gz NFVHLILWZHGMGR-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2CC(F)F)cc1 ZINC000286515407 385638306 /nfs/dbraw/zinc/63/83/06/385638306.db2.gz QJVZRXMBNNJHSQ-AWEZNQCLSA-N 0 0 284.350 2.609 20 10 CFCDRN Cc1nc2c(c(NCc3ccccc3O)n1)CCCC2 ZINC000272943205 385662075 /nfs/dbraw/zinc/66/20/75/385662075.db2.gz XEWGJADEOPVZST-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1[O-] ZINC000273299378 385675798 /nfs/dbraw/zinc/67/57/98/385675798.db2.gz AZGQGNOOHLDFRJ-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000273406716 385680553 /nfs/dbraw/zinc/68/05/53/385680553.db2.gz ONQRUJVISHQADF-JTQLQIEISA-N 0 0 275.304 2.623 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOC(C)C)c1 ZINC000273385985 385681232 /nfs/dbraw/zinc/68/12/32/385681232.db2.gz JJQRRRBXYLTDAN-LBPRGKRZSA-N 0 0 295.379 2.645 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c(O)c1C ZINC000273421084 385682397 /nfs/dbraw/zinc/68/23/97/385682397.db2.gz SBXWRIDHZGDHPX-CQSZACIVSA-N 0 0 290.407 2.672 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000273447829 385682988 /nfs/dbraw/zinc/68/29/88/385682988.db2.gz FNAQSDVOIBENHF-AAEUAGOBSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477851 385685207 /nfs/dbraw/zinc/68/52/07/385685207.db2.gz LHGUQSCQXYUVPS-IJLUTSLNSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273530954 385686311 /nfs/dbraw/zinc/68/63/11/385686311.db2.gz WIZWYQBCJAGTJY-NSHDSACASA-N 0 0 296.367 2.750 20 10 CFCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273546872 385687571 /nfs/dbraw/zinc/68/75/71/385687571.db2.gz ZPPHMUXFGZDBFX-JQWIXIFHSA-N 0 0 297.420 2.971 20 10 CFCDRN C[C@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000273576861 385689540 /nfs/dbraw/zinc/68/95/40/385689540.db2.gz LYVOEJXFZXDHKR-NSHDSACASA-N 0 0 275.327 2.689 20 10 CFCDRN CC[C@H](C)CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000286805437 385714112 /nfs/dbraw/zinc/71/41/12/385714112.db2.gz RGNSTCYTMXNEMN-NSHDSACASA-N 0 0 265.353 2.583 20 10 CFCDRN COCC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000287251366 385812737 /nfs/dbraw/zinc/81/27/37/385812737.db2.gz GXYAXIPTTMBVRW-UHFFFAOYSA-N 0 0 299.418 2.796 20 10 CFCDRN CCc1ncnc(N(C)Cc2ccc(N(C)C)cc2)c1F ZINC000301932622 393481911 /nfs/dbraw/zinc/48/19/11/393481911.db2.gz PLGNVMWDEAKRJD-UHFFFAOYSA-N 0 0 288.370 2.881 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000372397399 393448204 /nfs/dbraw/zinc/44/82/04/393448204.db2.gz DGHXRAJXZAKDFM-BMFZPTHFSA-N 0 0 275.392 2.946 20 10 CFCDRN CCCN(Cc1cc(OC)ccc1O)CC(F)F ZINC000179943322 393472674 /nfs/dbraw/zinc/47/26/74/393472674.db2.gz RLIUHIJRCBZSDZ-UHFFFAOYSA-N 0 0 259.296 2.878 20 10 CFCDRN Oc1ccc(CCNc2nccc(C(F)(F)F)n2)cc1O ZINC000301512147 393473942 /nfs/dbraw/zinc/47/39/42/393473942.db2.gz FLMSEOMZRUVMIX-UHFFFAOYSA-N 0 0 299.252 2.561 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC12CC2 ZINC000335621108 393685018 /nfs/dbraw/zinc/68/50/18/393685018.db2.gz IMEHQZNRKFVJQY-HNNXBMFYSA-N 0 0 283.375 2.838 20 10 CFCDRN C[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000120159290 393931131 /nfs/dbraw/zinc/93/11/31/393931131.db2.gz NOLHECLEURZOPG-GFCCVEGCSA-N 0 0 276.163 2.968 20 10 CFCDRN CCCCc1nc(CN(C)c2ccc3c(c2)OCO3)no1 ZINC000121304381 393953862 /nfs/dbraw/zinc/95/38/62/393953862.db2.gz UOBDYLHLWSKILW-UHFFFAOYSA-N 0 0 289.335 2.777 20 10 CFCDRN Cc1ccncc1CN1CCOc2cc(N(C)C)ccc21 ZINC000271726435 394022800 /nfs/dbraw/zinc/02/28/00/394022800.db2.gz SOHVSYCBYCCDQP-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCC(C)CC2)cc1F ZINC000121790598 393960485 /nfs/dbraw/zinc/96/04/85/393960485.db2.gz DZLVPIWHIBVFTB-UHFFFAOYSA-N 0 0 294.370 2.529 20 10 CFCDRN CC(C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000122527445 393969863 /nfs/dbraw/zinc/96/98/63/393969863.db2.gz UYMLAFNOODNMDU-UHFFFAOYSA-N 0 0 273.380 2.613 20 10 CFCDRN CCCC(CCC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122802808 393972419 /nfs/dbraw/zinc/97/24/19/393972419.db2.gz RLAILAKMVCKMCM-UHFFFAOYSA-N 0 0 279.380 2.973 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278334941 394060524 /nfs/dbraw/zinc/06/05/24/394060524.db2.gz ZTQWVKYLHXEYFM-QWRGUYRKSA-N 0 0 294.351 2.929 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2ncccc2F)cn1 ZINC000492499902 394069510 /nfs/dbraw/zinc/06/95/10/394069510.db2.gz HJLGVZBKMOWCDZ-FPLPWBNLSA-N 0 0 271.295 2.600 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2ccc(Cl)cc21 ZINC000492809053 394077243 /nfs/dbraw/zinc/07/72/43/394077243.db2.gz FJLOIQWBQKRVES-ARJAWSKDSA-N 0 0 273.723 2.666 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCOc2ccc(F)cc21 ZINC000493215568 394181806 /nfs/dbraw/zinc/18/18/06/394181806.db2.gz HOKRASADJDZKSE-RQOWECAXSA-N 0 0 290.319 2.721 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287726604 394208446 /nfs/dbraw/zinc/20/84/46/394208446.db2.gz OXUXHHQJAAVGOA-BXKDBHETSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1[O-] ZINC000287700089 394208740 /nfs/dbraw/zinc/20/87/40/394208740.db2.gz NOQBFXPATOUZDZ-GXFFZTMASA-N 0 0 296.798 2.707 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1C ZINC000364424024 394211422 /nfs/dbraw/zinc/21/14/22/394211422.db2.gz YTMLLEMTHDJYKI-MRXNPFEDSA-N 0 0 261.365 2.620 20 10 CFCDRN Cn1cnc(-c2cccc(NCc3cccc(F)c3O)c2)n1 ZINC000372284416 394309349 /nfs/dbraw/zinc/30/93/49/394309349.db2.gz ZOSSVYMEUUFSRJ-UHFFFAOYSA-N 0 0 298.321 2.939 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CCC3)C2)cc1OC ZINC000278394727 286248493 /nfs/dbraw/zinc/24/84/93/286248493.db2.gz GCEHAHGLSKCFIY-UHFFFAOYSA-N 0 0 292.335 2.992 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N)cc1 ZINC000019274394 170768518 /nfs/dbraw/zinc/76/85/18/170768518.db2.gz PNPRHZYDMYREER-RISCZKNCSA-N 0 0 262.353 2.803 20 10 CFCDRN COc1ccc(O)c(CNc2ccc3c(c2)OCCO3)c1 ZINC000020089199 170989215 /nfs/dbraw/zinc/98/92/15/170989215.db2.gz SURMFIQPTUUWLE-UHFFFAOYSA-N 0 0 287.315 2.784 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc[nH]c(=O)c1 ZINC000352120575 228185434 /nfs/dbraw/zinc/18/54/34/228185434.db2.gz JMULLXNQKSQMBA-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN CC(C)C[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000152558851 261065920 /nfs/dbraw/zinc/06/59/20/261065920.db2.gz PAKDHXNPGUNKQU-ZDUSSCGKSA-N 0 0 262.397 3.000 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC1(C)C ZINC000152803932 261069513 /nfs/dbraw/zinc/06/95/13/261069513.db2.gz BVZXCVKGHBOIFL-GFCCVEGCSA-N 0 0 274.364 2.524 20 10 CFCDRN Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000292766712 263134771 /nfs/dbraw/zinc/13/47/71/263134771.db2.gz ORSYWLRQQOESOE-UHFFFAOYSA-N 0 0 287.363 2.630 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000934938612 649858857 /nfs/dbraw/zinc/85/88/57/649858857.db2.gz GYNHCUSAQZXGKG-BTTYYORXSA-N 0 0 289.375 2.583 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1O ZINC000934940132 649859419 /nfs/dbraw/zinc/85/94/19/649859419.db2.gz IRTNGBAKEZXEPL-XYYAHUGASA-N 0 0 289.375 2.843 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC23CCC3)c(O)c1O ZINC000368438177 267172398 /nfs/dbraw/zinc/17/23/98/267172398.db2.gz JOQQQYPRJOPGSG-UHFFFAOYSA-N 0 0 261.321 2.565 20 10 CFCDRN CCOc1cccc(CN2CCC[C@H]2c2ncon2)c1O ZINC000371381915 267397276 /nfs/dbraw/zinc/39/72/76/267397276.db2.gz GRZYXBMWOAIETD-LBPRGKRZSA-N 0 0 289.335 2.511 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)NCCC3CC3)C2)cc1 ZINC000371986338 267491917 /nfs/dbraw/zinc/49/19/17/267491917.db2.gz QUFNKKXDKFQRBD-UHFFFAOYSA-N 0 0 299.418 2.961 20 10 CFCDRN COC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000266964816 277597953 /nfs/dbraw/zinc/59/79/53/277597953.db2.gz LLAXEXNYBIBMMC-AWEZNQCLSA-N 0 0 292.354 2.962 20 10 CFCDRN CC(C)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173197155 277875602 /nfs/dbraw/zinc/87/56/02/277875602.db2.gz WZPYVVHYFQCEDM-LBPRGKRZSA-N 0 0 276.380 2.770 20 10 CFCDRN CC[C@H]([NH2+]CCCNC(C)=O)c1cccc(Cl)c1[O-] ZINC000287704071 288040993 /nfs/dbraw/zinc/04/09/93/288040993.db2.gz NTQLBTYQWSKZOK-ZDUSSCGKSA-N 0 0 284.787 2.613 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cl)c1[O-] ZINC000376902534 288046672 /nfs/dbraw/zinc/04/66/72/288046672.db2.gz JLQNYODTPMFLQH-FMSGJZPZSA-N 0 0 281.783 2.979 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCSc3ccccc32)cnn1C ZINC000130054762 280196868 /nfs/dbraw/zinc/19/68/68/280196868.db2.gz FZKXDMWPYCRMCS-BQYQJAHWSA-N 0 0 299.399 2.881 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000219062183 290019350 /nfs/dbraw/zinc/01/93/50/290019350.db2.gz YOOGRSSQQCBWEX-GLQYFDAESA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000296107758 290061162 /nfs/dbraw/zinc/06/11/62/290061162.db2.gz ZGVFSWZCXGTIRV-BIIVOSGPSA-N 0 0 276.163 2.873 20 10 CFCDRN C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185674372 290062749 /nfs/dbraw/zinc/06/27/49/290062749.db2.gz MLUSSKOYHZEIFV-POJUEXTFSA-N 0 0 287.334 2.840 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C)C2)cc1OC ZINC000270875330 295026679 /nfs/dbraw/zinc/02/66/79/295026679.db2.gz AKYFALLTJOPVJT-SNVBAGLBSA-N 0 0 280.324 2.848 20 10 CFCDRN Nc1ccc(CC(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000237895094 295352373 /nfs/dbraw/zinc/35/23/73/295352373.db2.gz DPOHSAGATFGPOZ-LSDHHAIUSA-N 0 0 290.432 2.698 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c(O)c1O ZINC000177660514 301521199 /nfs/dbraw/zinc/52/11/99/301521199.db2.gz SKENYBFRFDTWMU-AOOOYVTPSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2ncccc2F)c1 ZINC000255328226 326964049 /nfs/dbraw/zinc/96/40/49/326964049.db2.gz FQVIBCZDOUEJDV-WAYWQWQTSA-N 0 0 271.295 2.600 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000255387057 326968644 /nfs/dbraw/zinc/96/86/44/326968644.db2.gz BPDKWIJVOWERCX-HJWRWDBZSA-N 0 0 279.343 2.578 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000368095199 328935177 /nfs/dbraw/zinc/93/51/77/328935177.db2.gz WQQWNQQPRBZMLH-RHSMWYFYSA-N 0 0 289.375 2.557 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000278775372 330120305 /nfs/dbraw/zinc/12/03/05/330120305.db2.gz XZOQXVOIRKSJCB-OUJBWJOFSA-N 0 0 253.317 2.607 20 10 CFCDRN CC[C@@H](NCc1cnn(CC)n1)c1cc(Cl)ccc1O ZINC000527925571 330296543 /nfs/dbraw/zinc/29/65/43/330296543.db2.gz VHFFCOMHMZOAOD-CYBMUJFWSA-N 0 0 294.786 2.898 20 10 CFCDRN CSCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437014227 330691039 /nfs/dbraw/zinc/69/10/39/330691039.db2.gz DIIJNKCKSJYFPL-UHFFFAOYSA-N 0 0 294.420 2.621 20 10 CFCDRN CCC[C@@H](OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000451313003 331024071 /nfs/dbraw/zinc/02/40/71/331024071.db2.gz LIZWKLAXZMHEAK-MRXNPFEDSA-N 0 0 288.391 2.918 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)C[C@H](C)O2 ZINC000492052581 332380718 /nfs/dbraw/zinc/38/07/18/332380718.db2.gz VNQROWCIKSLNGD-AGLBCWCQSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCSc3ncccc32)cn1 ZINC000492392812 332395481 /nfs/dbraw/zinc/39/54/81/332395481.db2.gz CWLKOPOTGAONKI-VOTSOKGWSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C/c2cnccc2C)n1 ZINC000492414843 332396323 /nfs/dbraw/zinc/39/63/23/332396323.db2.gz JEAWVNYUIYDBDC-BQYQJAHWSA-N 0 0 267.332 2.770 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1cccc(OC)c1 ZINC000492433808 332397252 /nfs/dbraw/zinc/39/72/52/332397252.db2.gz CJWVAFHIYPOXSP-BQYQJAHWSA-N 0 0 298.342 2.862 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2c(O)cccc21 ZINC000492568006 332403576 /nfs/dbraw/zinc/40/35/76/332403576.db2.gz RHESTTNDMRHUJK-BTDICHCPSA-N 0 0 295.342 2.736 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCc2ccc(F)cc21 ZINC000492998046 332422039 /nfs/dbraw/zinc/42/20/39/332422039.db2.gz OOOKSMONOJJWAC-ARJAWSKDSA-N 0 0 274.320 2.885 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccco1 ZINC000528862848 333462359 /nfs/dbraw/zinc/46/23/59/333462359.db2.gz OCUQKZMQFLWJTQ-JTQLQIEISA-N 0 0 275.304 2.501 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c(O)c1O ZINC000530001265 333516992 /nfs/dbraw/zinc/51/69/92/333516992.db2.gz QFHDFHXHDITUMP-NWDGAFQWSA-N 0 0 289.356 2.754 20 10 CFCDRN CN(C(=O)C1=CC(=O)CS1)C(C1CC1)C1CC1 ZINC000732279294 574149828 /nfs/dbraw/zinc/14/98/28/574149828.db2.gz HTWMTSXHGGTXJM-UHFFFAOYSA-N 0 0 251.351 2.714 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NC(C)C)cc12 ZINC000421196005 500949106 /nfs/dbraw/zinc/94/91/06/500949106.db2.gz IRAKSZMCUXCDSH-UHFFFAOYSA-N 0 0 274.364 2.699 20 10 CFCDRN CCCC[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000282400851 521134298 /nfs/dbraw/zinc/13/42/98/521134298.db2.gz HOTSYTKKPSTKDA-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000289832427 521688525 /nfs/dbraw/zinc/68/85/25/521688525.db2.gz UJCIGRCIPXVKSS-NSHDSACASA-N 0 0 268.788 2.572 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCS[C@H](C)C2)c1O ZINC000079413953 518288126 /nfs/dbraw/zinc/28/81/26/518288126.db2.gz NQXRUTPAWROQCK-SECBINFHSA-N 0 0 283.368 2.671 20 10 CFCDRN CC(C)(C)C(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269095169 518552815 /nfs/dbraw/zinc/55/28/15/518552815.db2.gz ZTIYRRSUZADESO-UHFFFAOYSA-N 0 0 289.375 2.502 20 10 CFCDRN CC(C)(CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224875031 519221527 /nfs/dbraw/zinc/22/15/27/519221527.db2.gz JXNLZWWECVYKMG-UHFFFAOYSA-N 0 0 257.761 2.544 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCCc1ccc(N)cc1 ZINC000236740531 519322052 /nfs/dbraw/zinc/32/20/52/519322052.db2.gz WTLABYHVSOSPSG-AWEZNQCLSA-N 0 0 292.423 2.769 20 10 CFCDRN CC(C)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000175138504 519562821 /nfs/dbraw/zinc/56/28/21/519562821.db2.gz GGJYGHKZQHUUFZ-UHFFFAOYSA-N 0 0 275.396 2.835 20 10 CFCDRN CC(C)CC(=O)NCc1cccc(Br)c1O ZINC000277545467 519596256 /nfs/dbraw/zinc/59/62/56/519596256.db2.gz NUAUZKRHEMNSDI-UHFFFAOYSA-N 0 0 286.169 2.817 20 10 CFCDRN CC(C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000086367207 519597086 /nfs/dbraw/zinc/59/70/86/519597086.db2.gz ILPWVALPVMCWQB-UHFFFAOYSA-N 0 0 275.396 2.837 20 10 CFCDRN CC(C)COC[C@@H](O)COc1ccc(N2CCCC2)cc1 ZINC000155258608 519757243 /nfs/dbraw/zinc/75/72/43/519757243.db2.gz NHPFNUWBZACVRT-MRXNPFEDSA-N 0 0 293.407 2.699 20 10 CFCDRN CC(C)Oc1nccnc1NCc1ccc(N(C)C)cc1 ZINC000302030434 519786301 /nfs/dbraw/zinc/78/63/01/519786301.db2.gz MXDXCHINWHTATF-UHFFFAOYSA-N 0 0 286.379 2.942 20 10 CFCDRN CC(C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000171927089 519903037 /nfs/dbraw/zinc/90/30/37/519903037.db2.gz OQYZUOOMJGTXII-UHFFFAOYSA-N 0 0 261.325 2.531 20 10 CFCDRN CC(C)c1scnc1C(=O)NCc1ccc(O)c(O)c1 ZINC000292216023 519916556 /nfs/dbraw/zinc/91/65/56/519916556.db2.gz QIQVATMHGCYINP-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN CCN(C)C(=O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000264734058 520145630 /nfs/dbraw/zinc/14/56/30/520145630.db2.gz RUEVCNYIJJXXBW-ZDUSSCGKSA-N 0 0 290.407 2.778 20 10 CFCDRN CC/C=C(\C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183486443 520192332 /nfs/dbraw/zinc/19/23/32/520192332.db2.gz LWSDSQFOYONENY-IGLBNKAOSA-N 0 0 263.337 2.501 20 10 CFCDRN CCCOCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299236301 520231269 /nfs/dbraw/zinc/23/12/69/520231269.db2.gz DOZYGAWXKADUIM-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278314688 520422129 /nfs/dbraw/zinc/42/21/29/520422129.db2.gz XIEISTOZHXYOMZ-UHFFFAOYSA-N 0 0 268.313 2.541 20 10 CFCDRN CC1(C)COc2c1cccc2C(=O)NCc1ccccc1O ZINC000279538258 520512782 /nfs/dbraw/zinc/51/27/82/520512782.db2.gz SVLFEOPXNBKBFS-UHFFFAOYSA-N 0 0 297.354 2.992 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCOC1 ZINC000282603260 520546265 /nfs/dbraw/zinc/54/62/65/520546265.db2.gz YFVKTENNSNIAMC-HNNXBMFYSA-N 0 0 291.391 2.948 20 10 CFCDRN CC1(CC(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC000289923822 520694805 /nfs/dbraw/zinc/69/48/05/520694805.db2.gz VXPXHARMJPZEJB-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ncc[nH]2)cc1F ZINC000066906415 520908678 /nfs/dbraw/zinc/90/86/78/520908678.db2.gz KMMKPFNIUMNFLT-UHFFFAOYSA-N 0 0 276.359 2.685 20 10 CFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC(C)C)cc1 ZINC000263766106 520908787 /nfs/dbraw/zinc/90/87/87/520908787.db2.gz ZXDVRIBRHWRMJF-UHFFFAOYSA-N 0 0 298.452 2.608 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](O)CSC)cc1 ZINC000275337336 521024919 /nfs/dbraw/zinc/02/49/19/521024919.db2.gz DEOPMIWWBZMRHD-CYBMUJFWSA-N 0 0 269.410 2.636 20 10 CFCDRN CCOC(=O)[C@@H](CC)N(Cc1ccccc1O)C1CC1 ZINC000191658660 521048683 /nfs/dbraw/zinc/04/86/83/521048683.db2.gz DLFPNRMFAAPCFU-CQSZACIVSA-N 0 0 277.364 2.698 20 10 CFCDRN CCC[C@H](CC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180989663 521074151 /nfs/dbraw/zinc/07/41/51/521074151.db2.gz SBUOGDVNBMBSCI-CRALRDPISA-N 0 0 263.337 2.806 20 10 CFCDRN CCOc1ccc(O)c(CNC(C)(C)c2noc(C)n2)c1 ZINC000264399354 521148708 /nfs/dbraw/zinc/14/87/08/521148708.db2.gz ODJAAQQRZVFGEK-UHFFFAOYSA-N 0 0 291.351 2.507 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000230661750 521295749 /nfs/dbraw/zinc/29/57/49/521295749.db2.gz LOEBUZSPURGSAX-YGRLFVJLSA-N 0 0 255.333 2.733 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)OC ZINC000278386473 521317306 /nfs/dbraw/zinc/31/73/06/521317306.db2.gz DIOGSOANLLHSRS-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN CCC(CC)(CO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224922108 521452227 /nfs/dbraw/zinc/45/22/27/521452227.db2.gz BHLDHWLBHDHXMC-UHFFFAOYSA-N 0 0 271.788 2.934 20 10 CFCDRN CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127964528 521461792 /nfs/dbraw/zinc/46/17/92/521461792.db2.gz FUXQWZZCZUPZML-UHFFFAOYSA-N 0 0 273.380 2.614 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccc(F)nc2C)SC1=S ZINC000278152477 521511718 /nfs/dbraw/zinc/51/17/18/521511718.db2.gz BDXQTDCUJWUHHR-TWGQIWQCSA-N 0 0 282.365 2.750 20 10 CFCDRN CCC1(C)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000062951273 521676157 /nfs/dbraw/zinc/67/61/57/521676157.db2.gz LYFKEBBYMRHLBR-UHFFFAOYSA-N 0 0 260.381 2.850 20 10 CFCDRN CCSCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000272915606 521703948 /nfs/dbraw/zinc/70/39/48/521703948.db2.gz IWKDUQJOBZFPPM-UHFFFAOYSA-N 0 0 270.354 2.533 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278214598 521870085 /nfs/dbraw/zinc/87/00/85/521870085.db2.gz KNYLJOFEOOFUJA-JTQLQIEISA-N 0 0 280.324 2.683 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286299405 521879794 /nfs/dbraw/zinc/87/97/94/521879794.db2.gz WPFAMLDLJNOJRM-XEGUGMAKSA-N 0 0 269.360 2.979 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278884617 521882389 /nfs/dbraw/zinc/88/23/89/521882389.db2.gz OPBMVFNIVUIUKF-PWSUYJOCSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@@H](C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191599609 522160500 /nfs/dbraw/zinc/16/05/00/522160500.db2.gz XKCDGVADCCNWQI-CYBMUJFWSA-N 0 0 278.396 2.825 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OC2CCOCC2)cc1 ZINC000283522052 522166611 /nfs/dbraw/zinc/16/66/11/522166611.db2.gz LOHYFRBXZOOCQM-UHFFFAOYSA-N 0 0 292.379 2.500 20 10 CFCDRN CN(C)c1ccc(CN(CCO)c2ccccc2)cc1 ZINC000191970908 522173376 /nfs/dbraw/zinc/17/33/76/522173376.db2.gz PCHCPHVNQRQAGR-UHFFFAOYSA-N 0 0 270.376 2.752 20 10 CFCDRN CN(C)c1ccc(CN2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000193462898 522177833 /nfs/dbraw/zinc/17/78/33/522177833.db2.gz RSLYBPHIMWVXOF-HNNXBMFYSA-N 0 0 285.395 2.598 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC2CCC2)cc1F ZINC000079811152 522188654 /nfs/dbraw/zinc/18/86/54/522188654.db2.gz HEUQGHFCZRZNIL-UHFFFAOYSA-N 0 0 264.344 2.698 20 10 CFCDRN CN(C)c1ccc(CNc2cc(N3CCCC3)ncn2)cc1 ZINC000264331881 522213988 /nfs/dbraw/zinc/21/39/88/522213988.db2.gz KQPFUVWVWMHPBG-UHFFFAOYSA-N 0 0 297.406 2.755 20 10 CFCDRN CN(C)c1ccc(CNc2cc(NCC3CC3)ncn2)cc1 ZINC000301280348 522215016 /nfs/dbraw/zinc/21/50/16/522215016.db2.gz KGWJYNQYHOVOKK-UHFFFAOYSA-N 0 0 297.406 2.977 20 10 CFCDRN COC(=O)c1cnc(SCc2cnc(C)s2)s1 ZINC000295372127 522341882 /nfs/dbraw/zinc/34/18/82/522341882.db2.gz SMGPTNFXOPZMEK-UHFFFAOYSA-N 0 0 286.403 2.987 20 10 CFCDRN COC(CN1CCCc2cc(OC(F)F)ccc21)OC ZINC000161723613 522535491 /nfs/dbraw/zinc/53/54/91/522535491.db2.gz ZKGBLRWZKGVTQC-UHFFFAOYSA-N 0 0 287.306 2.660 20 10 CFCDRN COc1cc(N(C)Cc2nccs2)cc(OC)c1OC ZINC000135098721 522621787 /nfs/dbraw/zinc/62/17/87/522621787.db2.gz JKOQVBCEBQRRAR-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000287338096 522726768 /nfs/dbraw/zinc/72/67/68/522726768.db2.gz GFHWXZKQYFQKSR-YUTCNCBUSA-N 0 0 267.344 2.731 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2cc(F)ccc2O)s1 ZINC000289597708 522743240 /nfs/dbraw/zinc/74/32/40/522743240.db2.gz BKFWCQKAKRQPNX-MRVPVSSYSA-N 0 0 281.356 2.796 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000287338060 522762985 /nfs/dbraw/zinc/76/29/85/522762985.db2.gz GFHWXZKQYFQKSR-FPMFFAJLSA-N 0 0 267.344 2.731 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(F)cc1[O-] ZINC000290225908 522860470 /nfs/dbraw/zinc/86/04/70/522860470.db2.gz RGQYBSYYUUXGTH-WCQYABFASA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(C)cc1O ZINC000280158770 522915785 /nfs/dbraw/zinc/91/57/85/522915785.db2.gz QOBVCJWNTDGOQZ-WCQYABFASA-N 0 0 274.368 2.631 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000290232032 522936622 /nfs/dbraw/zinc/93/66/22/522936622.db2.gz RTGMTVVWHYFTHT-GIPNMCIBSA-N 0 0 255.333 2.995 20 10 CFCDRN COCCC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000121462724 522997830 /nfs/dbraw/zinc/99/78/30/522997830.db2.gz SOASGAJWXREYND-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN CN(C[C@@H](O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000279682744 523024001 /nfs/dbraw/zinc/02/40/01/523024001.db2.gz GYQGDBZEVDPWME-CQSZACIVSA-N 0 0 271.316 2.585 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1(C2CC2)CC1 ZINC000152269574 523381301 /nfs/dbraw/zinc/38/13/01/523381301.db2.gz XWMYXSWPCRMXEI-UHFFFAOYSA-N 0 0 274.364 2.724 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000280506244 523381610 /nfs/dbraw/zinc/38/16/10/523381610.db2.gz FBNMFTNRXCDMBF-NSHDSACASA-N 0 0 298.333 2.969 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@@H](C)[S@@]1=O ZINC000289565032 523447891 /nfs/dbraw/zinc/44/78/91/523447891.db2.gz JEOSECFWKBMGMO-WAWZGNHOSA-N 0 0 295.448 2.740 20 10 CFCDRN COCCN(Cc1cc(C)c(C)cc1O)CC(F)F ZINC000101539783 523739158 /nfs/dbraw/zinc/73/91/58/523739158.db2.gz SJZAKTAZGLBWKD-UHFFFAOYSA-N 0 0 273.323 2.723 20 10 CFCDRN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc(F)c2[O-])C12CCC2 ZINC000368035011 523782789 /nfs/dbraw/zinc/78/27/89/523782789.db2.gz LGLFFVVVEJFCBL-VCTAVGKDSA-N 0 0 279.355 2.825 20 10 CFCDRN CC[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000237001032 524005042 /nfs/dbraw/zinc/00/50/42/524005042.db2.gz LTHLZZZCWWBIQA-ZETCQYMHSA-N 0 0 258.705 2.842 20 10 CFCDRN COc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1C ZINC000266155284 524072300 /nfs/dbraw/zinc/07/23/00/524072300.db2.gz LREAUJAKVAJSBA-INIZCTEOSA-N 0 0 275.348 2.594 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000175215948 524085717 /nfs/dbraw/zinc/08/57/17/524085717.db2.gz WORBLHLRWOKTEE-GFCCVEGCSA-N 0 0 260.381 2.757 20 10 CFCDRN C[C@@H]1CCCCN1C(=O)COc1ccc(N(C)C)cc1 ZINC000289411571 524090949 /nfs/dbraw/zinc/09/09/49/524090949.db2.gz PLGOPRMZPATKEQ-CYBMUJFWSA-N 0 0 276.380 2.532 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(N)cc1 ZINC000195162416 524148829 /nfs/dbraw/zinc/14/88/29/524148829.db2.gz ZNUIMSRWRJAPKJ-CJNGLKHVSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000264329470 524164421 /nfs/dbraw/zinc/16/44/21/524164421.db2.gz SEJJIOUSVWKDLB-WFASDCNBSA-N 0 0 275.396 2.740 20 10 CFCDRN Cc1cccc(CCC(=O)NCCc2ccc(N)cc2)c1 ZINC000051966859 524348238 /nfs/dbraw/zinc/34/82/38/524348238.db2.gz CQBNGSGBDKZNBD-UHFFFAOYSA-N 0 0 282.387 2.869 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCC(C)C)cc1Cl ZINC000121953606 524350920 /nfs/dbraw/zinc/35/09/20/524350920.db2.gz YKDVQDRPFKZHNG-UHFFFAOYSA-N 0 0 284.787 2.557 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC[C@H](C)O2)cc1F ZINC000190687021 524353588 /nfs/dbraw/zinc/35/35/88/524353588.db2.gz FADRCDHMUIDDRJ-CMPLNLGQSA-N 0 0 253.317 2.838 20 10 CFCDRN COc1ccc(N(C)Cc2ccon2)cc1Cl ZINC000121849718 524355590 /nfs/dbraw/zinc/35/55/90/524355590.db2.gz CJKZQDQFXPFHAT-UHFFFAOYSA-N 0 0 252.701 2.973 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1F ZINC000290232746 524355844 /nfs/dbraw/zinc/35/58/44/524355844.db2.gz GBDKZVLOUJUPAS-UHFFFAOYSA-N 0 0 278.331 2.643 20 10 CFCDRN COc1ccc(N(C)Cc2cnc([C@H](C)O)s2)cc1F ZINC000290420963 524356048 /nfs/dbraw/zinc/35/60/48/524356048.db2.gz RALBUHBKDIVPEU-VIFPVBQESA-N 0 0 296.367 2.981 20 10 CFCDRN C[C@@H](CC1CC1)NC(=O)NCc1ccc2c(c1)CCN2C ZINC000364478439 524425284 /nfs/dbraw/zinc/42/52/84/524425284.db2.gz VRHBOKJHPWOPRX-LBPRGKRZSA-N 0 0 287.407 2.667 20 10 CFCDRN C[C@@H](CCO)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294666572 524503859 /nfs/dbraw/zinc/50/38/59/524503859.db2.gz AEQIWKCIVPRELA-SNVBAGLBSA-N 0 0 257.761 2.544 20 10 CFCDRN C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000077422460 524572488 /nfs/dbraw/zinc/57/24/88/524572488.db2.gz NBTRTZHXHHKJBE-SFYZADRCSA-N 0 0 278.179 2.806 20 10 CFCDRN C[C@@H]1CC[C@@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122314993 524581668 /nfs/dbraw/zinc/58/16/68/524581668.db2.gz ARZGBVXSNXPZCL-DGCLKSJQSA-N 0 0 277.364 2.583 20 10 CFCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294643883 524727520 /nfs/dbraw/zinc/72/75/20/524727520.db2.gz KJBBUBBSGYUSKO-VHSXEESVSA-N 0 0 287.762 2.947 20 10 CFCDRN COc1ccc(O)c(CN[C@H](C)c2c(F)cncc2F)c1 ZINC000289552943 524756297 /nfs/dbraw/zinc/75/62/97/524756297.db2.gz IQQYRYLJILTLTK-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN COc1ccc(O)c(CNc2sccc2[N+](=O)[O-])c1 ZINC000302030135 524757610 /nfs/dbraw/zinc/75/76/10/524757610.db2.gz RSWXOMPKKZJBJE-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN COc1ccc(O)c(CNc2nccc(C)c2[N+](=O)[O-])c1 ZINC000301294481 524758466 /nfs/dbraw/zinc/75/84/66/524758466.db2.gz ORIAUQJAKWUFET-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])on1 ZINC000293495458 524759724 /nfs/dbraw/zinc/75/97/24/524759724.db2.gz AZFDPKVZBZQUCK-UHFFFAOYSA-N 0 0 270.691 2.771 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@H]12 ZINC000193158824 524874442 /nfs/dbraw/zinc/87/44/42/524874442.db2.gz IAZJHZVAALKZGK-WZRBSPASSA-N 0 0 275.348 2.749 20 10 CFCDRN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276854686 524960820 /nfs/dbraw/zinc/96/08/20/524960820.db2.gz BQNXVJPVEQTNRE-UWVGGRQHSA-N 0 0 281.306 2.606 20 10 CFCDRN Cc1cc(NC(=O)CCSc2nccs2)no1 ZINC000048876306 525127286 /nfs/dbraw/zinc/12/72/86/525127286.db2.gz TUUHUGQYBJGHBM-UHFFFAOYSA-N 0 0 269.351 2.560 20 10 CFCDRN CSC1(CN(C)c2ccc3c(c2)OCO3)CC1 ZINC000290226162 525307051 /nfs/dbraw/zinc/30/70/51/525307051.db2.gz FLZMUAUDRZLFME-UHFFFAOYSA-N 0 0 251.351 2.747 20 10 CFCDRN C[C@@H]1C[C@H](C)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000193146530 525371903 /nfs/dbraw/zinc/37/19/03/525371903.db2.gz ZPAUAKHDBGQIRF-GHMZBOCLSA-N 0 0 263.337 2.606 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)c(F)c1[O-] ZINC000191182824 525413577 /nfs/dbraw/zinc/41/35/77/525413577.db2.gz VJOGOXANCQUYKC-DTWKUNHWSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(F)cc1[O-] ZINC000230669707 525442022 /nfs/dbraw/zinc/44/20/22/525442022.db2.gz QOQMAOFXNMDPKD-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000252811179 525526715 /nfs/dbraw/zinc/52/67/15/525526715.db2.gz OECFDFXMDCVVAO-DCAQKATOSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000364791417 525624693 /nfs/dbraw/zinc/62/46/93/525624693.db2.gz OFXWRUDTXFNUQV-KKUKJKQGSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@H](Nc1ncnc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000302349876 525687607 /nfs/dbraw/zinc/68/76/07/525687607.db2.gz CZFIXUQFSOYKMS-JTQLQIEISA-N 0 0 282.351 2.592 20 10 CFCDRN Cc1cc[nH]c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000281270394 525707168 /nfs/dbraw/zinc/70/71/68/525707168.db2.gz LALKPXHTTDUTQB-UHFFFAOYSA-N 0 0 284.359 2.838 20 10 CFCDRN Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C(=O)[O-])cc1 ZINC000276950943 525774729 /nfs/dbraw/zinc/77/47/29/525774729.db2.gz DUTNGBFHBCJZQA-QGZVFWFLSA-N 0 0 297.354 2.845 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000226363798 525828538 /nfs/dbraw/zinc/82/85/38/525828538.db2.gz XZSLPUVBACPPFT-ZIAGYGMSSA-N 0 0 278.421 2.602 20 10 CFCDRN COc1cccc(CNC(=O)CCC(C)(C)C)c1O ZINC000131034769 525965992 /nfs/dbraw/zinc/96/59/92/525965992.db2.gz NOJRFUXDBMQFSK-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000068488561 525974823 /nfs/dbraw/zinc/97/48/23/525974823.db2.gz NUUOUISQUPSIIZ-SCRDCRAPSA-N 0 0 289.375 2.843 20 10 CFCDRN COc1cccc(CNC(=O)NCCC=C(C)C)c1O ZINC000276891080 525984897 /nfs/dbraw/zinc/98/48/97/525984897.db2.gz SPOPYBIBLXBZTL-UHFFFAOYSA-N 0 0 278.352 2.556 20 10 CFCDRN COc1cccc(CNC(=O)NC2CCCCCC2)c1O ZINC000073434379 525985020 /nfs/dbraw/zinc/98/50/20/525985020.db2.gz DFOZJDPLYPSRIB-UHFFFAOYSA-N 0 0 292.379 2.923 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C)C2)c1O ZINC000073744735 525991210 /nfs/dbraw/zinc/99/12/10/525991210.db2.gz WWNUMRMKPIKHIY-AAEUAGOBSA-N 0 0 292.379 2.779 20 10 CFCDRN Cc1cc(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)on1 ZINC000364725135 526237182 /nfs/dbraw/zinc/23/71/82/526237182.db2.gz STBSNEMBXNALBH-UHFFFAOYSA-N 0 0 297.358 2.588 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000299520242 526257325 /nfs/dbraw/zinc/25/73/25/526257325.db2.gz QDOQHVYZJXGGPH-AAEUAGOBSA-N 0 0 262.353 2.770 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000272282839 526329140 /nfs/dbraw/zinc/32/91/40/526329140.db2.gz MYHSJODEAVQCMD-UHFFFAOYSA-N 0 0 275.327 2.565 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOC[C@@H]1C1CC1 ZINC000093645478 526347461 /nfs/dbraw/zinc/34/74/61/526347461.db2.gz MVGACAJKCYGKNP-CYBMUJFWSA-N 0 0 267.756 2.656 20 10 CFCDRN Oc1ccccc1CNc1ccc(N2CCCC2)nc1 ZINC000036982158 526373813 /nfs/dbraw/zinc/37/38/13/526373813.db2.gz WCYHANFXOWQECA-UHFFFAOYSA-N 0 0 269.348 3.000 20 10 CFCDRN Cc1nnc([C@@H](C)N[C@H](C)c2ccccc2O)s1 ZINC000274275162 526397015 /nfs/dbraw/zinc/39/70/15/526397015.db2.gz XKENSQJMEMLXIT-RKDXNWHRSA-N 0 0 263.366 2.964 20 10 CFCDRN Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)c(C)c2)n1 ZINC000338037626 526451317 /nfs/dbraw/zinc/45/13/17/526451317.db2.gz HHGZCENLNVVQKF-UHFFFAOYSA-N 0 0 299.355 2.570 20 10 CFCDRN c1nnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000225933865 526622642 /nfs/dbraw/zinc/62/26/42/526622642.db2.gz NOZUIKWBQGHZSE-UHFFFAOYSA-N 0 0 260.366 2.750 20 10 CFCDRN Cc1nsc(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000292298318 526707923 /nfs/dbraw/zinc/70/79/23/526707923.db2.gz UJKXUWKUNXCDGW-UHFFFAOYSA-N 0 0 289.404 2.756 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCC(F)(F)C1 ZINC000282417893 526755587 /nfs/dbraw/zinc/75/55/87/526755587.db2.gz IMEJKJHDNGGWOQ-JTQLQIEISA-N 0 0 269.291 2.834 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1C1CCC1 ZINC000193016562 526772246 /nfs/dbraw/zinc/77/22/46/526772246.db2.gz DPGAISUXKINJSP-GFCCVEGCSA-N 0 0 261.321 2.503 20 10 CFCDRN Cc1nccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000266086392 527351486 /nfs/dbraw/zinc/35/14/86/527351486.db2.gz CILVNLZMAJDCCR-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000272707798 527470092 /nfs/dbraw/zinc/47/00/92/527470092.db2.gz JYLHAEGGBKJTER-UHFFFAOYSA-N 0 0 295.386 2.799 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000087765621 527475940 /nfs/dbraw/zinc/47/59/40/527475940.db2.gz PFBFYBOHEHKXMR-UKRRQHHQSA-N 0 0 258.365 2.602 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000237946586 527480363 /nfs/dbraw/zinc/48/03/63/527480363.db2.gz VPEAFHFWEZSAAP-SJORKVTESA-N 0 0 298.361 2.870 20 10 CFCDRN Nc1ccc(Cc2nc([C@@H]3CCOC3)cs2)cc1 ZINC000157830774 527483626 /nfs/dbraw/zinc/48/36/26/527483626.db2.gz JNINNMKZXLUWTL-LLVKDONJSA-N 0 0 260.362 2.820 20 10 CFCDRN FC(F)(Br)CNCc1ccc2c(c1)CCO2 ZINC000289933684 527661578 /nfs/dbraw/zinc/66/15/78/527661578.db2.gz AQRVFDIXFMBNLN-UHFFFAOYSA-N 0 0 292.123 2.699 20 10 CFCDRN CCN(C(=O)/C=C/c1cncs1)c1ncccc1C ZINC000493728491 535655542 /nfs/dbraw/zinc/65/55/42/535655542.db2.gz RUXWMQLRFYWCTP-VOTSOKGWSA-N 0 0 273.361 2.913 20 10 CFCDRN Cc1cc(-c2ccn(Cc3ccncc3)c(=O)c2)cnc1F ZINC001243400635 782185143 /nfs/dbraw/zinc/18/51/43/782185143.db2.gz NKOUQJBHSPDPLW-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccccc1O ZINC000736715160 574067886 /nfs/dbraw/zinc/06/78/86/574067886.db2.gz OBPNRNOTGNOEIL-JTQLQIEISA-N 0 0 275.304 2.876 20 10 CFCDRN COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC000730281757 574070389 /nfs/dbraw/zinc/07/03/89/574070389.db2.gz VAPQJCXNDNUEPF-HOTGVXAUSA-N 0 0 297.354 2.821 20 10 CFCDRN CCN(Cc1nnc(C2CC2)o1)c1ccc(OC)cc1 ZINC000744391795 574072322 /nfs/dbraw/zinc/07/23/22/574072322.db2.gz JQZNMLZYQQHFQJ-UHFFFAOYSA-N 0 0 273.336 2.982 20 10 CFCDRN C[C@H]1COC(C)(C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000754155965 574078391 /nfs/dbraw/zinc/07/83/91/574078391.db2.gz NTOZNYSLDBVNSA-LBPRGKRZSA-N 0 0 280.387 2.891 20 10 CFCDRN Cc1cc(F)ccc1CN(C)C(=O)c1cccc(O)c1O ZINC000754698416 574114689 /nfs/dbraw/zinc/11/46/89/574114689.db2.gz HYVSQMMYABRYEY-UHFFFAOYSA-N 0 0 289.306 2.818 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)CC1CC1 ZINC000754833627 574123879 /nfs/dbraw/zinc/12/38/79/574123879.db2.gz KNXHRJSAGRAPBD-LLVKDONJSA-N 0 0 290.190 2.950 20 10 CFCDRN CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756733512 574128910 /nfs/dbraw/zinc/12/89/10/574128910.db2.gz QOKCBWZIADTEKB-ONGXEEELSA-N 0 0 273.323 2.872 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(Cc1ccncc1)C1CC1 ZINC000731870816 574131258 /nfs/dbraw/zinc/13/12/58/574131258.db2.gz YEPPNBGUOKSKIU-UHFFFAOYSA-N 0 0 274.345 2.654 20 10 CFCDRN CC(C)N(C(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1)C(C)C ZINC000731910212 574133340 /nfs/dbraw/zinc/13/33/40/574133340.db2.gz OUQIIOQYXKVRBD-SNVBAGLBSA-N 0 0 299.392 2.644 20 10 CFCDRN CCN(Cc1cnc(C)nc1)c1ccc(OC)cc1 ZINC000746109227 574134727 /nfs/dbraw/zinc/13/47/27/574134727.db2.gz MVWPUPFJTHHCRL-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ccn(C)c(=O)c2)cc1 ZINC000746159529 574137584 /nfs/dbraw/zinc/13/75/84/574137584.db2.gz VVVAKCTVARKNBK-UHFFFAOYSA-N 0 0 286.375 2.811 20 10 CFCDRN CN(C)c1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1F ZINC000737375466 574137888 /nfs/dbraw/zinc/13/78/88/574137888.db2.gz JKUHAAGGXDZQKY-UHFFFAOYSA-N 0 0 294.370 2.625 20 10 CFCDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000731968443 574138250 /nfs/dbraw/zinc/13/82/50/574138250.db2.gz AHKOTMMBLMIRQS-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CCCC2)c1 ZINC000728938103 574140110 /nfs/dbraw/zinc/14/01/10/574140110.db2.gz NEFCNTMDHLYIFH-NSHDSACASA-N 0 0 292.379 2.951 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H]2CCCO2)c1 ZINC000728977754 574143227 /nfs/dbraw/zinc/14/32/27/574143227.db2.gz CGZIRFBCVJBHQX-VXGBXAGGSA-N 0 0 293.363 2.537 20 10 CFCDRN CCCSCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728981849 574143531 /nfs/dbraw/zinc/14/35/31/574143531.db2.gz GCKQLIKODKSBIA-JTQLQIEISA-N 0 0 283.393 2.721 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)COC2(C)CCC2)c1 ZINC000746294635 574143712 /nfs/dbraw/zinc/14/37/12/574143712.db2.gz WQXDXMCEMQQUHV-LLVKDONJSA-N 0 0 293.363 2.537 20 10 CFCDRN C[C@H](CCc1ccco1)NC(=O)C1=CC(=O)CS1 ZINC000732258537 574147584 /nfs/dbraw/zinc/14/75/84/574147584.db2.gz SYGLJOGZBIHSRE-SECBINFHSA-N 0 0 265.334 2.798 20 10 CFCDRN CCC(CC)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000746403784 574148069 /nfs/dbraw/zinc/14/80/69/574148069.db2.gz FHNPUUQUPPNZDD-UHFFFAOYSA-N 0 0 260.381 2.991 20 10 CFCDRN O=C(Nc1nc2c(s1)CCC2)C1=CC(=O)CS1 ZINC000732267210 574148112 /nfs/dbraw/zinc/14/81/12/574148112.db2.gz UICBKEOOHBBVJC-UHFFFAOYSA-N 0 0 266.347 2.651 20 10 CFCDRN O=C(Nc1nnc(C(F)(F)F)s1)C1=CC(=O)CS1 ZINC000732267570 574148310 /nfs/dbraw/zinc/14/83/10/574148310.db2.gz LBGGCRIYTGHKMP-UHFFFAOYSA-N 0 0 295.267 2.576 20 10 CFCDRN O=C(NCc1ccn(-c2ccccc2)n1)C1=CC(=O)CS1 ZINC000732274390 574148863 /nfs/dbraw/zinc/14/88/63/574148863.db2.gz HUXVAYNQWJUORR-UHFFFAOYSA-N 0 0 299.355 2.569 20 10 CFCDRN O=C(N[C@@H]1CCc2c1cccc2O)C1=CC(=O)CS1 ZINC000732285543 574149844 /nfs/dbraw/zinc/14/98/44/574149844.db2.gz JGHXVVDOAHXNJB-LLVKDONJSA-N 0 0 275.329 2.577 20 10 CFCDRN C[C@H]1C[C@@H]1c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732280529 574150244 /nfs/dbraw/zinc/15/02/44/574150244.db2.gz KDVPLZAPJYANOP-XPUUQOCRSA-N 0 0 263.322 2.553 20 10 CFCDRN Cc1cc2c[nH]nc2cc1NC(=O)C1=CC(=O)CS1 ZINC000732287971 574150583 /nfs/dbraw/zinc/15/05/83/574150583.db2.gz KGGZQIPEXCDPCW-UHFFFAOYSA-N 0 0 273.317 2.891 20 10 CFCDRN O=C(NCc1cc(F)ccc1F)C1=CC(=O)CS1 ZINC000732287503 574150755 /nfs/dbraw/zinc/15/07/55/574150755.db2.gz CVSOAIJQPNGQED-UHFFFAOYSA-N 0 0 269.272 2.662 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000746478597 574150874 /nfs/dbraw/zinc/15/08/74/574150874.db2.gz CRKCUSPYGOHDLM-OAHLLOKOSA-N 0 0 299.305 2.540 20 10 CFCDRN O=C(OCc1ccc2c(c1)OCCO2)C1=CC(=O)CS1 ZINC000732352759 574152836 /nfs/dbraw/zinc/15/28/36/574152836.db2.gz FWRXXMVYZOIOHU-UHFFFAOYSA-N 0 0 292.312 2.582 20 10 CFCDRN Cn1c(COC(=O)C2=CC(=O)CS2)nc2ccccc21 ZINC000732353446 574152875 /nfs/dbraw/zinc/15/28/75/574152875.db2.gz PHFHGOIUHITATE-UHFFFAOYSA-N 0 0 288.328 2.697 20 10 CFCDRN Cc1ncc(COC(=O)C2=CC(=O)CS2)s1 ZINC000732353455 574153007 /nfs/dbraw/zinc/15/30/07/574153007.db2.gz POFGUYVYVHINSQ-UHFFFAOYSA-N 0 0 255.320 2.576 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)[C@H]1COc2ccccc21 ZINC000755308395 574153526 /nfs/dbraw/zinc/15/35/26/574153526.db2.gz YRCJFNJKQXSPJU-BXKDBHETSA-N 0 0 289.356 2.748 20 10 CFCDRN O=C(NCc1ccccc1O)c1ncoc1-c1ccccc1 ZINC000732578127 574161979 /nfs/dbraw/zinc/16/19/79/574161979.db2.gz HLBUAEGTWYJWQF-UHFFFAOYSA-N 0 0 294.310 2.977 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCCC2)cc1F ZINC000746708026 574163938 /nfs/dbraw/zinc/16/39/38/574163938.db2.gz ISEIHIVDUMFJTM-UHFFFAOYSA-N 0 0 279.359 2.587 20 10 CFCDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1=CC(=O)CS1 ZINC000746984810 574174139 /nfs/dbraw/zinc/17/41/39/574174139.db2.gz YNFMNTFMLHBIQO-UHFFFAOYSA-N 0 0 297.263 2.858 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC2(C)C)c1 ZINC000732827322 574174448 /nfs/dbraw/zinc/17/44/48/574174448.db2.gz GWPZUZQUJHAUPE-WDEREUQCSA-N 0 0 292.379 2.807 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](O)COCC(C)C)cc1 ZINC000747683399 574206510 /nfs/dbraw/zinc/20/65/10/574206510.db2.gz VLMVROYDZNLNBA-MRXNPFEDSA-N 0 0 295.423 2.945 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000729422488 574214649 /nfs/dbraw/zinc/21/46/49/574214649.db2.gz DBVFQHBOSJVKIM-GWJCSSMESA-N 0 0 281.359 2.659 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)C2)cc1C ZINC000739875497 574226885 /nfs/dbraw/zinc/22/68/85/574226885.db2.gz RDYCENNXBXOYAR-ZDUSSCGKSA-N 0 0 289.297 2.772 20 10 CFCDRN Cc1ccc(C(=O)OCc2cccnc2Cl)c(O)c1O ZINC000729710172 574229528 /nfs/dbraw/zinc/22/95/28/574229528.db2.gz LRDZQFKFZFCYOG-UHFFFAOYSA-N 0 0 293.706 2.812 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1 ZINC000756391118 574233064 /nfs/dbraw/zinc/23/30/64/574233064.db2.gz XYQRRIMJMRUVIR-RDJZCZTQSA-N 0 0 290.407 2.876 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1 ZINC000756391116 574233092 /nfs/dbraw/zinc/23/30/92/574233092.db2.gz XYQRRIMJMRUVIR-NVXWUHKLSA-N 0 0 290.407 2.876 20 10 CFCDRN Cc1nc(COC(=O)C2=CC(=O)CS2)sc1C ZINC000756411599 574235052 /nfs/dbraw/zinc/23/50/52/574235052.db2.gz SBIRAGJHKPQVLG-UHFFFAOYSA-N 0 0 269.347 2.884 20 10 CFCDRN C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(F)cc1[O-] ZINC000756456133 574238783 /nfs/dbraw/zinc/23/87/83/574238783.db2.gz GIYYBOYZKXLYMY-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN C[C@H]([NH2+]CCOCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756469247 574239330 /nfs/dbraw/zinc/23/93/30/574239330.db2.gz HVDURURXDNJYHL-ZETCQYMHSA-N 0 0 299.239 2.900 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccoc2C)c1 ZINC000756483394 574240543 /nfs/dbraw/zinc/24/05/43/574240543.db2.gz QCUDZXGPPHECPD-JTQLQIEISA-N 0 0 289.331 2.931 20 10 CFCDRN O=C(OCCCCCn1cccn1)C1=CC(=O)CS1 ZINC000733497395 574242247 /nfs/dbraw/zinc/24/22/47/574242247.db2.gz VFAUFZJIDQYSSC-UHFFFAOYSA-N 0 0 280.349 2.678 20 10 CFCDRN O=C(NCc1ccccc1O)C(F)(F)c1ccccc1 ZINC000748346519 574247789 /nfs/dbraw/zinc/24/77/89/574247789.db2.gz ZWHBDLKKIDLTPC-UHFFFAOYSA-N 0 0 277.270 2.800 20 10 CFCDRN Cc1cc2ccccc2n1CC(=O)NCc1ccccc1O ZINC000748349192 574248471 /nfs/dbraw/zinc/24/84/71/574248471.db2.gz BOKIMQGZHGWPSQ-UHFFFAOYSA-N 0 0 294.354 2.972 20 10 CFCDRN O=C(COc1ccc2c(c1)CCC2)NCc1ccccc1O ZINC000748355422 574248877 /nfs/dbraw/zinc/24/88/77/574248877.db2.gz XSSPQMXUCKCLMP-UHFFFAOYSA-N 0 0 297.354 2.576 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756573734 574249301 /nfs/dbraw/zinc/24/93/01/574249301.db2.gz BYSVSYSRZLRMIW-YMTOWFKASA-N 0 0 273.323 2.872 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756579145 574249781 /nfs/dbraw/zinc/24/97/81/574249781.db2.gz ZGWJGZQBKBPNKC-RWSFTLGLSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756577923 574250067 /nfs/dbraw/zinc/25/00/67/574250067.db2.gz SQKOOKWNWIHNNC-OTYXRUKQSA-N 0 0 273.323 2.728 20 10 CFCDRN CCc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756607989 574251689 /nfs/dbraw/zinc/25/16/89/574251689.db2.gz OMSPEWCPLNZUHQ-SECBINFHSA-N 0 0 291.307 2.702 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756628099 574253527 /nfs/dbraw/zinc/25/35/27/574253527.db2.gz VSNHPBMHCJYQCZ-NOZJJQNGSA-N 0 0 273.323 2.992 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756644309 574254650 /nfs/dbraw/zinc/25/46/50/574254650.db2.gz FBBIXTVWSUXQKN-YGRLFVJLSA-N 0 0 280.324 2.520 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(O)c1O ZINC000756637934 574254753 /nfs/dbraw/zinc/25/47/53/574254753.db2.gz MJOSIVBUCINWJX-ZMLRMANQSA-N 0 0 277.364 2.961 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cc(F)cc(F)c1[O-] ZINC000756648690 574255083 /nfs/dbraw/zinc/25/50/83/574255083.db2.gz YHHGMKRIQSDNMV-FOGDFJRCSA-N 0 0 285.334 2.872 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000756646666 574255294 /nfs/dbraw/zinc/25/52/94/574255294.db2.gz CBJWJLGCVQIXSV-MRVPVSSYSA-N 0 0 291.269 2.782 20 10 CFCDRN Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756740185 574260054 /nfs/dbraw/zinc/26/00/54/574260054.db2.gz QGRRJGWFFDQOII-MRVPVSSYSA-N 0 0 267.279 2.553 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C2\CC[C@@H](C)C2)c1 ZINC000756763608 574261080 /nfs/dbraw/zinc/26/10/80/574261080.db2.gz CQOGMDDWYCREIL-OYGDSYQHSA-N 0 0 275.348 2.763 20 10 CFCDRN C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(F)cc1[O-] ZINC000756759000 574261345 /nfs/dbraw/zinc/26/13/45/574261345.db2.gz GZOYJDYPFJYFKN-SNVBAGLBSA-N 0 0 294.301 2.795 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756783360 574262751 /nfs/dbraw/zinc/26/27/51/574262751.db2.gz YMEQPVCNSXFUNR-WCABBAIRSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756783357 574262772 /nfs/dbraw/zinc/26/27/72/574262772.db2.gz YMEQPVCNSXFUNR-FXPVBKGRSA-N 0 0 271.307 2.889 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788584 574263600 /nfs/dbraw/zinc/26/36/00/574263600.db2.gz XKBCXJIYTONFIP-ZIBATOQPSA-N 0 0 294.351 2.766 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000740750187 574265416 /nfs/dbraw/zinc/26/54/16/574265416.db2.gz AHJAAQZLPZEMQV-MEDUHNTESA-N 0 0 297.354 2.918 20 10 CFCDRN C[C@@H](NCc1cocn1)c1cc(Br)ccc1O ZINC000756830447 574265885 /nfs/dbraw/zinc/26/58/85/574265885.db2.gz HKGWVBFHEGWGTR-MRVPVSSYSA-N 0 0 297.152 2.994 20 10 CFCDRN C[C@H]1C[C@@H](NCc2cocn2)c2c1c(F)ccc2O ZINC000756829779 574266237 /nfs/dbraw/zinc/26/62/37/574266237.db2.gz BUWXNLAKTVCURM-GZMMTYOYSA-N 0 0 262.284 2.857 20 10 CFCDRN O=C(Nc1ccc(-c2nnco2)cc1)C1=CC(=O)CS1 ZINC000740923958 574274179 /nfs/dbraw/zinc/27/41/79/574274179.db2.gz 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617837149 /nfs/dbraw/zinc/83/71/49/617837149.db2.gz TWVAVKFDGKSXDF-CMPLNLGQSA-N 0 0 297.782 2.867 20 10 CFCDRN CC(C)(C(=O)NCc1cccc(Cl)c1O)C(F)F ZINC000890759530 617837315 /nfs/dbraw/zinc/83/73/15/617837315.db2.gz NAQWMFJLLLCBCZ-UHFFFAOYSA-N 0 0 277.698 2.953 20 10 CFCDRN CC(C)n1ccc(C(=O)NCc2cccc(Cl)c2O)n1 ZINC000890760724 617838753 /nfs/dbraw/zinc/83/87/53/617838753.db2.gz XXTVLVVLONSXPH-UHFFFAOYSA-N 0 0 293.754 2.753 20 10 CFCDRN CC[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759989 617839171 /nfs/dbraw/zinc/83/91/71/617839171.db2.gz YCRGJVURIIORFP-JQWIXIFHSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(CSC1CC1)NCc1cccc(Cl)c1O ZINC000890761480 617840928 /nfs/dbraw/zinc/84/09/28/617840928.db2.gz TUVUHHWUPCCYCL-UHFFFAOYSA-N 0 0 271.769 2.557 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000161024099 617632528 /nfs/dbraw/zinc/63/25/28/617632528.db2.gz IXXXQYIUZAMEFA-GOEBONIOSA-N 0 0 272.392 2.896 20 10 CFCDRN COC(=O)c1cnc(NCc2ccc(N(C)C)cc2)s1 ZINC000891578950 617674595 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/nfs/dbraw/zinc/84/01/63/617840163.db2.gz SONYMCPKGYGIQQ-UHFFFAOYSA-N 0 0 263.671 2.707 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1(C2CC2)CC1 ZINC000890763173 617843223 /nfs/dbraw/zinc/84/32/23/617843223.db2.gz PUQASNXTEFFAKJ-UHFFFAOYSA-N 0 0 265.740 2.852 20 10 CFCDRN CCC[C@@H](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000892039764 617922800 /nfs/dbraw/zinc/92/28/00/617922800.db2.gz YSKSVEMLOBLKPK-CYBMUJFWSA-N 0 0 277.412 2.937 20 10 CFCDRN O=C(/C=C\c1cccc(F)c1)NCc1ccc(O)c(O)c1 ZINC000255527890 618089444 /nfs/dbraw/zinc/08/94/44/618089444.db2.gz YXPZEDKLLXMQRV-ALCCZGGFSA-N 0 0 287.290 2.567 20 10 CFCDRN C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000892306496 618103578 /nfs/dbraw/zinc/10/35/78/618103578.db2.gz VSPHNVUKGRLPFC-VIFPVBQESA-N 0 0 282.771 2.891 20 10 CFCDRN CS[C@@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000235132171 618116731 /nfs/dbraw/zinc/11/67/31/618116731.db2.gz LOOXNXWRVLIADI-NWDGAFQWSA-N 0 0 265.382 2.674 20 10 CFCDRN COCc1nccc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000892330275 618141532 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ZINC000793346160 618268788 /nfs/dbraw/zinc/26/87/88/618268788.db2.gz DNSOIUHCBRSFOW-GHMZBOCLSA-N 0 0 264.325 2.826 20 10 CFCDRN COc1cc(-c2nc3ccc(F)cc3n2C)cc(O)c1O ZINC000178975990 618278770 /nfs/dbraw/zinc/27/87/70/618278770.db2.gz VELGCIIYGFYQPT-UHFFFAOYSA-N 0 0 288.278 2.799 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC000159112774 618279040 /nfs/dbraw/zinc/27/90/40/618279040.db2.gz OBRREZDQQMYIOE-UHFFFAOYSA-N 0 0 283.736 2.743 20 10 CFCDRN C[C@H]1CSCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894028167 618281157 /nfs/dbraw/zinc/28/11/57/618281157.db2.gz WLJUAIIUWYFLEI-QMMMGPOBSA-N 0 0 259.321 2.608 20 10 CFCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000749397749 618298639 /nfs/dbraw/zinc/29/86/39/618298639.db2.gz TZFMKKYSRFFFRC-SNVBAGLBSA-N 0 0 276.292 2.614 20 10 CFCDRN Cc1nscc1C(=O)NCCCSc1nccs1 ZINC000179690234 618341649 /nfs/dbraw/zinc/34/16/49/618341649.db2.gz IFTCMCJYIVTOLT-UHFFFAOYSA-N 0 0 299.446 2.820 20 10 CFCDRN CCOc1ccc(O)c(CNc2ccc(N(C)C)cn2)c1 ZINC000150904423 618350376 /nfs/dbraw/zinc/35/03/76/618350376.db2.gz ITHPHQKFQRELRG-UHFFFAOYSA-N 0 0 287.363 2.864 20 10 CFCDRN Nc1ccc(CC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000020185755 618435300 /nfs/dbraw/zinc/43/53/00/618435300.db2.gz MPCHMMJTNIGFAK-UHFFFAOYSA-N 0 0 288.778 2.824 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000066057116 618439573 /nfs/dbraw/zinc/43/95/73/618439573.db2.gz KQUABEHIOGHLLB-OAHLLOKOSA-N 0 0 290.407 2.829 20 10 CFCDRN COc1ccc(N(Cc2ccco2)C[C@@H](C)O)cc1F ZINC000192996282 618446566 /nfs/dbraw/zinc/44/65/66/618446566.db2.gz NLKKUOJQQNZFEI-LLVKDONJSA-N 0 0 279.311 2.815 20 10 CFCDRN CC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1C ZINC000193149219 618453031 /nfs/dbraw/zinc/45/30/31/618453031.db2.gz SHWHMCCZBDUTJO-UHFFFAOYSA-N 0 0 285.299 2.861 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000726241352 618456780 /nfs/dbraw/zinc/45/67/80/618456780.db2.gz FKZDFEFCGNJQAJ-CABCVRRESA-N 0 0 282.343 2.748 20 10 CFCDRN COC[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013211665 618457202 /nfs/dbraw/zinc/45/72/02/618457202.db2.gz JRPZAWRMSIDZDX-VIFPVBQESA-N 0 0 294.376 2.687 20 10 CFCDRN O=C(NCc1cc2ccccc2[nH]1)NCc1ccccc1O ZINC000726249893 618458269 /nfs/dbraw/zinc/45/82/69/618458269.db2.gz MSSTWVKGJRHVAN-UHFFFAOYSA-N 0 0 295.342 2.873 20 10 CFCDRN CC[C@H](C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841841712 618465847 /nfs/dbraw/zinc/46/58/47/618465847.db2.gz UUEUBLKIOBJTGS-STQMWFEESA-N 0 0 277.412 2.935 20 10 CFCDRN Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)c(O)c1O ZINC000177666012 618469199 /nfs/dbraw/zinc/46/91/99/618469199.db2.gz DADDSOFRWIOSPC-UHFFFAOYSA-N 0 0 297.354 2.868 20 10 CFCDRN CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000895311854 618527196 /nfs/dbraw/zinc/52/71/96/618527196.db2.gz SSNKKOJYFJQQHM-SNVBAGLBSA-N 0 0 289.162 2.953 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000895393436 618565357 /nfs/dbraw/zinc/56/53/57/618565357.db2.gz JQCRQWPMUDSLSK-UHFFFAOYSA-N 0 0 279.286 2.938 20 10 CFCDRN COc1cncc(NCc2cc(C)cc(OC)c2O)c1 ZINC000895417141 618573681 /nfs/dbraw/zinc/57/36/81/618573681.db2.gz QQMHWNDRSXFYRN-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN COc1cc(Cl)cc(CN2CC[C@@H]2C(F)F)c1O ZINC000895430121 618578696 /nfs/dbraw/zinc/57/86/96/618578696.db2.gz BMCHFFZAEFXOOO-SECBINFHSA-N 0 0 277.698 2.894 20 10 CFCDRN C[C@H](CCO)C1(CNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000841296737 618580582 /nfs/dbraw/zinc/58/05/82/618580582.db2.gz YOIWRHHFDVOMNU-GFCCVEGCSA-N 0 0 291.395 2.579 20 10 CFCDRN CCOc1ccc(O)c(CN2CC[C@@H]2C(F)F)c1 ZINC000895437350 618585531 /nfs/dbraw/zinc/58/55/31/618585531.db2.gz STCCRFJHWPJKPG-LLVKDONJSA-N 0 0 257.280 2.630 20 10 CFCDRN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000841298153 618596668 /nfs/dbraw/zinc/59/66/68/618596668.db2.gz MUHPQZQQYSABLK-SECBINFHSA-N 0 0 288.351 2.799 20 10 CFCDRN CCc1cc(NCc2cc(OC)ccc2O)nc(CC)n1 ZINC000892532182 618613305 /nfs/dbraw/zinc/61/33/05/618613305.db2.gz JRFLCEQLWLDKGY-UHFFFAOYSA-N 0 0 287.363 2.928 20 10 CFCDRN COCc1nccc(NCc2ccc(N(C)C)cc2C)n1 ZINC000892564935 618634545 /nfs/dbraw/zinc/63/45/45/618634545.db2.gz ZDDIHLRUZYSBPI-UHFFFAOYSA-N 0 0 286.379 2.610 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nccc2nc[nH]c21 ZINC000892564879 618634844 /nfs/dbraw/zinc/63/48/44/618634844.db2.gz XWTMWAKQMYQEBV-UHFFFAOYSA-N 0 0 281.363 2.944 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C/C=C/Cl ZINC000181135844 618684671 /nfs/dbraw/zinc/68/46/71/618684671.db2.gz FXSKVYCMTCVWHW-ZZXKWVIFSA-N 0 0 252.745 2.704 20 10 CFCDRN Oc1ccccc1CNc1cccc(-c2nc[nH]n2)c1 ZINC000168753347 618718778 /nfs/dbraw/zinc/71/87/78/618718778.db2.gz XPTYEGZSYXVWGL-UHFFFAOYSA-N 0 0 266.304 2.789 20 10 CFCDRN Cc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1O ZINC000182391470 625294062 /nfs/dbraw/zinc/29/40/62/625294062.db2.gz NKVNHLILFXSENI-UHFFFAOYSA-N 0 0 269.300 2.562 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840895119 618768650 /nfs/dbraw/zinc/76/86/50/618768650.db2.gz XPAPSNWVXNDBNZ-QJPTWQEYSA-N 0 0 294.351 2.502 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC/C=C/Cl ZINC000893054424 618816082 /nfs/dbraw/zinc/81/60/82/618816082.db2.gz WYOIBHHZKLPOIU-QPJJXVBHSA-N 0 0 281.787 2.613 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(C#N)c1 ZINC000180979131 618870970 /nfs/dbraw/zinc/87/09/70/618870970.db2.gz NNRJMCYPPQPNES-SOFGYWHQSA-N 0 0 294.310 2.646 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccoc1 ZINC000184320797 618914143 /nfs/dbraw/zinc/91/41/43/618914143.db2.gz AOWHTARFDJICAV-UHFFFAOYSA-N 0 0 273.332 2.967 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)C2CCCC2)c(O)c1O ZINC000182447252 625305045 /nfs/dbraw/zinc/30/50/45/625305045.db2.gz WZBWAHSQNCMZQS-JTQLQIEISA-N 0 0 263.337 2.715 20 10 CFCDRN CSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182475728 625314797 /nfs/dbraw/zinc/31/47/97/625314797.db2.gz LFROLBLCMNCPEF-SNVBAGLBSA-N 0 0 283.393 2.620 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnc2ccccc2c1 ZINC000314285831 619074629 /nfs/dbraw/zinc/07/46/29/619074629.db2.gz WTJNFHAIOOCNKZ-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cnc2ccccc2n1 ZINC000053914855 619077371 /nfs/dbraw/zinc/07/73/71/619077371.db2.gz HGIAGJBRFZNHBP-UHFFFAOYSA-N 0 0 293.326 2.608 20 10 CFCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(F)cc2)n1 ZINC000007556683 619098779 /nfs/dbraw/zinc/09/87/79/619098779.db2.gz IPLNKBZMUQECIW-UHFFFAOYSA-N 0 0 291.355 2.546 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(F)cc1F ZINC000182513484 625318831 /nfs/dbraw/zinc/31/88/31/625318831.db2.gz UVJGFRMIRAZAIN-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN O=C(/C=C/C1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000182531938 625322309 /nfs/dbraw/zinc/32/23/09/625322309.db2.gz LQNDDTSXEZWMSY-VQHVLOKHSA-N 0 0 275.348 2.851 20 10 CFCDRN CCc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000237156557 619286710 /nfs/dbraw/zinc/28/67/10/619286710.db2.gz WVEUVYHQMMJCGC-UHFFFAOYSA-N 0 0 282.387 2.733 20 10 CFCDRN COc1ccc(N(C)Cc2[nH]nc(C)c2C)cc1F ZINC000894430069 619382195 /nfs/dbraw/zinc/38/21/95/619382195.db2.gz YGFYTOMPUBAFNR-UHFFFAOYSA-N 0 0 263.316 2.811 20 10 CFCDRN COc1ccc(N(C)Cc2ocnc2C)cc1F ZINC000894429302 619382269 /nfs/dbraw/zinc/38/22/69/619382269.db2.gz DYSDZPMKNCMDCZ-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3nccs3)C2)cc1 ZINC000894484355 619398286 /nfs/dbraw/zinc/39/82/86/619398286.db2.gz GIHIMHQIYYKCCQ-NSHDSACASA-N 0 0 275.377 2.843 20 10 CFCDRN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533589 619411639 /nfs/dbraw/zinc/41/16/39/619411639.db2.gz TYVTYSHPXVAWOG-BFVZDQMLSA-N 0 0 285.334 2.652 20 10 CFCDRN COc1cc(C)cc(CN[C@@H](C)C(F)(F)F)c1O ZINC000894785585 619467052 /nfs/dbraw/zinc/46/70/52/619467052.db2.gz WVIQRZDABHOWPK-QMMMGPOBSA-N 0 0 263.259 2.750 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CCC1 ZINC000894827256 619474904 /nfs/dbraw/zinc/47/49/04/619474904.db2.gz BOPWKBWJBRZYIW-OAHLLOKOSA-N 0 0 299.361 2.947 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000894902002 619506574 /nfs/dbraw/zinc/50/65/74/619506574.db2.gz IGTTTYFDJQEKTB-TVQRCGJNSA-N 0 0 271.307 2.527 20 10 CFCDRN O=C(NCCCCF)NCc1cccc(Cl)c1O ZINC000894997550 619524672 /nfs/dbraw/zinc/52/46/72/619524672.db2.gz UGAFUVJDIDWQJX-UHFFFAOYSA-N 0 0 274.723 2.595 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000841299651 619541752 /nfs/dbraw/zinc/54/17/52/619541752.db2.gz HIYVFODYXKIQTE-NSHDSACASA-N 0 0 271.320 2.883 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](C)CO1 ZINC000895525867 619546980 /nfs/dbraw/zinc/54/69/80/619546980.db2.gz BXBOOGRXUZOBDR-XJKSGUPXSA-N 0 0 290.407 2.526 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000895572383 619556871 /nfs/dbraw/zinc/55/68/71/619556871.db2.gz CQSWNYYNXBMOFC-QMMMGPOBSA-N 0 0 288.706 2.745 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844717 619618080 /nfs/dbraw/zinc/61/80/80/619618080.db2.gz OGWMYMMJSAINHV-QMTHXVAHSA-N 0 0 283.318 2.671 20 10 CFCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1c(O)cccc1F ZINC000895832174 619619257 /nfs/dbraw/zinc/61/92/57/619619257.db2.gz DBLPFMKAOJQEFN-UHFFFAOYSA-N 0 0 294.286 2.576 20 10 CFCDRN C[N@H+](CCCF)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000895897561 619629868 /nfs/dbraw/zinc/62/98/68/619629868.db2.gz BUVXCJNFDWNJNS-UHFFFAOYSA-N 0 0 276.695 2.745 20 10 CFCDRN O=C(C[C@@H]1CCC2(CCC2)CO1)NCc1ccccc1O ZINC000896015750 619655408 /nfs/dbraw/zinc/65/54/08/619655408.db2.gz SCDAQBPDPSENSS-AWEZNQCLSA-N 0 0 289.375 2.748 20 10 CFCDRN CCc1cc(C(=O)NCCCSc2nccs2)no1 ZINC000896335493 619718498 /nfs/dbraw/zinc/71/84/98/619718498.db2.gz VSEURTDGKVYCKR-UHFFFAOYSA-N 0 0 297.405 2.606 20 10 CFCDRN CCOc1cncc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896642332 619777475 /nfs/dbraw/zinc/77/74/75/619777475.db2.gz PXVCPCZIPNPJJW-UHFFFAOYSA-N 0 0 276.311 2.615 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1c([O-])cccc1F)C1CCCC1 ZINC000896636886 619779754 /nfs/dbraw/zinc/77/97/54/619779754.db2.gz GHMMDGGNBPAZGS-HNNXBMFYSA-N 0 0 267.344 2.826 20 10 CFCDRN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1F ZINC000896637154 619779840 /nfs/dbraw/zinc/77/98/40/619779840.db2.gz IDQHOJFLRAMPDY-LLVKDONJSA-N 0 0 275.323 2.958 20 10 CFCDRN CCOC(=O)C1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896636809 619780053 /nfs/dbraw/zinc/78/00/53/619780053.db2.gz HTDKBOHFFGZJRO-UHFFFAOYSA-N 0 0 295.354 2.743 20 10 CFCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896638519 619780905 /nfs/dbraw/zinc/78/09/05/619780905.db2.gz VNXJUPBZTBTWMT-IAQYHMDHSA-N 0 0 267.344 2.825 20 10 CFCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896639474 619780930 /nfs/dbraw/zinc/78/09/30/619780930.db2.gz VECCTDCXQONFPR-NXEZZACHSA-N 0 0 255.358 2.905 20 10 CFCDRN CCc1ncc(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896639211 619780981 /nfs/dbraw/zinc/78/09/81/619780981.db2.gz BBZHTVIQMQOUTO-UHFFFAOYSA-N 0 0 266.341 2.840 20 10 CFCDRN CO[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896639393 619781056 /nfs/dbraw/zinc/78/10/56/619781056.db2.gz DMJJRXZGBRYEGC-NWDGAFQWSA-N 0 0 267.344 2.969 20 10 CFCDRN CC1(C)C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896640453 619781732 /nfs/dbraw/zinc/78/17/32/619781732.db2.gz IWHGBFLSAQJNTG-JTQLQIEISA-N 0 0 253.317 2.579 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCCO1 ZINC000896923594 619892780 /nfs/dbraw/zinc/89/27/80/619892780.db2.gz KJQJXXIQXMATNY-CQSZACIVSA-N 0 0 271.307 2.719 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)C1CC1 ZINC000896994419 619909741 /nfs/dbraw/zinc/90/97/41/619909741.db2.gz ZLAXCNQMCBKDRD-UHFFFAOYSA-N 0 0 276.380 2.970 20 10 CFCDRN Cc1ccc(NC(=S)NN=c2nc(C)cc(C)[nH]2)cc1 ZINC000007521989 619931896 /nfs/dbraw/zinc/93/18/96/619931896.db2.gz MZAUSIXAPDOVIB-UHFFFAOYSA-N 0 0 287.392 2.715 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(F)cc1F ZINC000088296380 619980562 /nfs/dbraw/zinc/98/05/62/619980562.db2.gz ROOBMAUXJVHIAL-UHFFFAOYSA-N 0 0 291.297 2.872 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000889609190 619986000 /nfs/dbraw/zinc/98/60/00/619986000.db2.gz BFHNOXYPDPSPEO-WCFLWFBJSA-N 0 0 286.335 2.767 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1c(O)cccc1F ZINC000928705605 619995144 /nfs/dbraw/zinc/99/51/44/619995144.db2.gz KFKKNOGKOJKMGR-UHFFFAOYSA-N 0 0 276.311 2.742 20 10 CFCDRN C[C@H](C(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000928705462 619995187 /nfs/dbraw/zinc/99/51/87/619995187.db2.gz KKLJXEGECSJWRZ-SECBINFHSA-N 0 0 253.317 2.830 20 10 CFCDRN CCc1onc(C)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000897336254 619999419 /nfs/dbraw/zinc/99/94/19/619999419.db2.gz ALAFPSQBCNIPGV-UHFFFAOYSA-N 0 0 282.290 2.819 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccoc2C)c1 ZINC000728983943 620048093 /nfs/dbraw/zinc/04/80/93/620048093.db2.gz HZLXQCOZFFOTHF-VIFPVBQESA-N 0 0 275.304 2.793 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000841956592 620102240 /nfs/dbraw/zinc/10/22/40/620102240.db2.gz CUYWBLIZAPVWAB-CYBMUJFWSA-N 0 0 289.423 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841744227 620185816 /nfs/dbraw/zinc/18/58/16/620185816.db2.gz GGSKYDHNFYRBGD-ZYHUDNBSSA-N 0 0 268.788 2.790 20 10 CFCDRN COC(=O)c1ccc(O)c([C@@H](C)NC2(C(F)F)CC2)c1 ZINC000800502078 620193766 /nfs/dbraw/zinc/19/37/66/620193766.db2.gz LZGAVGPBGPWGEP-MRVPVSSYSA-N 0 0 285.290 2.627 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCCc1ccc(N)cc1 ZINC000237373563 620213984 /nfs/dbraw/zinc/21/39/84/620213984.db2.gz JYWVMDCCZRKUHV-CJNGLKHVSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237377541 620214535 /nfs/dbraw/zinc/21/45/35/620214535.db2.gz FLFFWKYSSDPTQS-KZULUSFZSA-N 0 0 280.371 2.861 20 10 CFCDRN Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752025 620218092 /nfs/dbraw/zinc/21/80/92/620218092.db2.gz QHWIGXWSXMCJCD-SECBINFHSA-N 0 0 265.744 2.928 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)CO1 ZINC000897682899 620271124 /nfs/dbraw/zinc/27/11/24/620271124.db2.gz BDTKVBOPZILXEG-XJKSGUPXSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(C2CC2)C1 ZINC000897809850 620288478 /nfs/dbraw/zinc/28/84/78/620288478.db2.gz YJSROEBFCUOMDC-UHFFFAOYSA-N 0 0 289.356 2.795 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]1C1CC1 ZINC000897884705 620297727 /nfs/dbraw/zinc/29/77/27/620297727.db2.gz LTFNALSUWFJYNN-SNVBAGLBSA-N 0 0 289.356 2.937 20 10 CFCDRN Cc1cccc(CNc2ccnn2[C@@H]2CCCOC2)c1O ZINC000898094440 620332127 /nfs/dbraw/zinc/33/21/27/620332127.db2.gz AYGGMLOZFWCRSJ-CQSZACIVSA-N 0 0 287.363 2.861 20 10 CFCDRN C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218190 620346958 /nfs/dbraw/zinc/34/69/58/620346958.db2.gz AFAUHNJICRENAM-PWSUYJOCSA-N 0 0 296.798 2.583 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccc1O ZINC000898257221 620365390 /nfs/dbraw/zinc/36/53/90/620365390.db2.gz PVXRXFRHHKGDHD-ZMJPVWNMSA-N 0 0 274.364 2.941 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 ZINC000110408788 620381933 /nfs/dbraw/zinc/38/19/33/620381933.db2.gz AQLVXDOMVSFFCL-AWEZNQCLSA-N 0 0 270.357 2.924 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cc(F)c(F)c(F)c1 ZINC000076106262 625426934 /nfs/dbraw/zinc/42/69/34/625426934.db2.gz LAHWHNRQWQJYKF-CLTKARDFSA-N 0 0 275.276 2.593 20 10 CFCDRN COc1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000042116503 620509307 /nfs/dbraw/zinc/50/93/07/620509307.db2.gz HPNMRCDWMKLIJE-UHFFFAOYSA-N 0 0 271.316 2.673 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC/C=C/Cl)c1 ZINC000899054427 620517877 /nfs/dbraw/zinc/51/78/77/620517877.db2.gz YVCSCEQDXMSXRK-BSPAPZMXSA-N 0 0 284.743 2.514 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000899182290 620528456 /nfs/dbraw/zinc/52/84/56/620528456.db2.gz WGMPKGYRGPLVST-STQMWFEESA-N 0 0 289.375 2.919 20 10 CFCDRN CCN1C(=O)/C(=C\c2cn(C)nc2C2CC2)SC1=S ZINC000899332571 620546346 /nfs/dbraw/zinc/54/63/46/620546346.db2.gz IXDKFYXMCGYGDT-UXBLZVDNSA-N 0 0 293.417 2.519 20 10 CFCDRN COC/C(C)=C/COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000901590881 620864585 /nfs/dbraw/zinc/86/45/85/620864585.db2.gz VMWIVUVXDOUOMX-XYOKQWHBSA-N 0 0 293.363 2.511 20 10 CFCDRN Clc1cnc(SC[C@@H]2C[C@@H]3COC[C@@H]3O2)s1 ZINC000901583557 620869511 /nfs/dbraw/zinc/86/95/11/620869511.db2.gz UEMBINFUAOFVLY-CSMHCCOUSA-N 0 0 277.798 2.693 20 10 CFCDRN CCOc1ccc(CNc2cnc(CC)nc2)c(O)c1 ZINC000902205333 620997935 /nfs/dbraw/zinc/99/79/35/620997935.db2.gz NFWKQRGIYWTICD-UHFFFAOYSA-N 0 0 273.336 2.755 20 10 CFCDRN Cc1cc(NCc2cc(C)c(C)cc2O)c(=O)n(C)c1 ZINC000902254811 621006314 /nfs/dbraw/zinc/00/63/14/621006314.db2.gz FFSFTTHZQUFCAG-UHFFFAOYSA-N 0 0 272.348 2.628 20 10 CFCDRN Cc1ccn(C)c(=O)c1NCc1ccc(N(C)C)c(F)c1 ZINC000902254177 621006481 /nfs/dbraw/zinc/00/64/81/621006481.db2.gz BXAJKRNPEMNUIJ-UHFFFAOYSA-N 0 0 289.354 2.511 20 10 CFCDRN CC[C@@H]([NH2+]Cc1csc(N)n1)c1ccc(F)cc1[O-] ZINC000902499062 621105525 /nfs/dbraw/zinc/10/55/25/621105525.db2.gz KLEOEHAQQDJANW-LLVKDONJSA-N 0 0 281.356 2.811 20 10 CFCDRN Nc1ccc(CCNC(=O)c2cnc(C3CC3)s2)cc1 ZINC000832659092 625464675 /nfs/dbraw/zinc/46/46/75/625464675.db2.gz LNQIKEWTMVLXNS-UHFFFAOYSA-N 0 0 287.388 2.575 20 10 CFCDRN CCn1cnc2c1CCN(Cc1cc3c(cc1O)CCC3)C2 ZINC000902544473 621116351 /nfs/dbraw/zinc/11/63/51/621116351.db2.gz XVSCUWKDOPXTND-UHFFFAOYSA-N 0 0 297.402 2.656 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1 ZINC000903881103 621463522 /nfs/dbraw/zinc/46/35/22/621463522.db2.gz DRIUMEMUPGXOIM-GUOLPTJISA-N 0 0 299.399 2.961 20 10 CFCDRN COc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879352 621545070 /nfs/dbraw/zinc/54/50/70/621545070.db2.gz KEQFHBAWTFROFC-UHFFFAOYSA-N 0 0 273.288 2.742 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1F ZINC000183471412 625503220 /nfs/dbraw/zinc/50/32/20/625503220.db2.gz OIEHERWQKAQZQH-SNVBAGLBSA-N 0 0 289.306 2.598 20 10 CFCDRN CN1C(=O)/C(=C\c2nccc3c2CCCC3)SC1=S ZINC000905001672 621679671 /nfs/dbraw/zinc/67/96/71/621679671.db2.gz JTWVVCBRVRJMFD-XYOKQWHBSA-N 0 0 290.413 2.791 20 10 CFCDRN Cc1nn(C)c2ncc(NCc3cc(C)ccc3O)cc12 ZINC000071407681 625515514 /nfs/dbraw/zinc/51/55/14/625515514.db2.gz PBCZJPXALDVRKW-UHFFFAOYSA-N 0 0 282.347 2.903 20 10 CFCDRN CC(C)[C@H]1N(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000832835205 625530807 /nfs/dbraw/zinc/53/08/07/625530807.db2.gz SCBGZSFUDIMBJK-LLVKDONJSA-N 0 0 253.367 2.960 20 10 CFCDRN C[C@H](NCc1cn(C2CC2)nn1)c1ccc(N(C)C)cc1 ZINC000906297429 621971013 /nfs/dbraw/zinc/97/10/13/621971013.db2.gz SPLVIARVIWUXTJ-LBPRGKRZSA-N 0 0 285.395 2.530 20 10 CFCDRN Cc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000043257309 621990854 /nfs/dbraw/zinc/99/08/54/621990854.db2.gz CFCNHFRCMMSLGM-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000907493223 622131757 /nfs/dbraw/zinc/13/17/57/622131757.db2.gz OSWIPXUIWKPWRB-XEZPLFJOSA-N 0 0 290.407 2.745 20 10 CFCDRN CCc1nc[nH]c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000907492263 622131828 /nfs/dbraw/zinc/13/18/28/622131828.db2.gz HYXJPNFMASWYKN-NSHDSACASA-N 0 0 286.379 2.529 20 10 CFCDRN O=C(OC[C@H]1CCCC2(CCC2)O1)c1cccc(O)c1O ZINC000909193701 622325581 /nfs/dbraw/zinc/32/55/81/622325581.db2.gz LDVUNFOYPGLJRS-LLVKDONJSA-N 0 0 292.331 2.746 20 10 CFCDRN COc1ccc(OCC[NH2+]Cc2ccccc2O)cc1 ZINC000076262600 625567968 /nfs/dbraw/zinc/56/79/68/625567968.db2.gz FLDBBEIJQLFTHK-UHFFFAOYSA-N 0 0 273.332 2.569 20 10 CFCDRN CCc1csc([C@H](C)NC(=O)C2=CC(=O)CS2)n1 ZINC000910739941 622472798 /nfs/dbraw/zinc/47/27/98/622472798.db2.gz DNVARAKKDJGRAB-ZETCQYMHSA-N 0 0 282.390 2.964 20 10 CFCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000910954193 622489224 /nfs/dbraw/zinc/48/92/24/622489224.db2.gz JMZYAAMIFQCEND-AWEZNQCLSA-N 0 0 299.370 2.983 20 10 CFCDRN Cc1cccc(C2(C(=O)NCc3ccc(O)cc3O)CC2)c1 ZINC000910952778 622489230 /nfs/dbraw/zinc/48/92/30/622489230.db2.gz YLLXOJGHTFLMFT-UHFFFAOYSA-N 0 0 297.354 2.754 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1(Cc2ccccc2)CC1 ZINC000910950849 622489319 /nfs/dbraw/zinc/48/93/19/622489319.db2.gz KVIFVHWXOHLHIN-UHFFFAOYSA-N 0 0 297.354 2.737 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(O)cc1O)CC(F)F ZINC000910957612 622489772 /nfs/dbraw/zinc/48/97/72/622489772.db2.gz STIDCAYZLZALBP-UHFFFAOYSA-N 0 0 287.306 2.786 20 10 CFCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910942477 622491300 /nfs/dbraw/zinc/49/13/00/622491300.db2.gz CTBAMFMLFNEECE-JKSUJKDBSA-N 0 0 297.354 2.826 20 10 CFCDRN CC(C)CCCCC(=O)NCc1ccc(O)cc1O ZINC000910944133 622491320 /nfs/dbraw/zinc/49/13/20/622491320.db2.gz LEKIKURHTBIBCH-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN Cc1c(C(=O)NCc2ccc(O)cc2O)ccn1C(C)C ZINC000910943830 622491441 /nfs/dbraw/zinc/49/14/41/622491441.db2.gz IIRVZUZEHFEMTL-UHFFFAOYSA-N 0 0 288.347 2.719 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944053 622491465 /nfs/dbraw/zinc/49/14/65/622491465.db2.gz JXJNPBMYOFHURL-GXFFZTMASA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1(C(F)F)CCCC1 ZINC000910945384 622491643 /nfs/dbraw/zinc/49/16/43/622491643.db2.gz UJSNYMXRCJNWQD-UHFFFAOYSA-N 0 0 285.290 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[C@H]1C1CC1 ZINC000910945820 622491992 /nfs/dbraw/zinc/49/19/92/622491992.db2.gz ZQBVFSDMRGKDAP-GJZGRUSLSA-N 0 0 289.375 2.930 20 10 CFCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC000910947765 622492309 /nfs/dbraw/zinc/49/23/09/622492309.db2.gz MHURLRHMBLSREW-NTMALXAHSA-N 0 0 263.337 2.706 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C(C1CCC1)C1CCC1 ZINC000910946733 622492313 /nfs/dbraw/zinc/49/23/13/622492313.db2.gz SLJRBFKZIARTOB-UHFFFAOYSA-N 0 0 289.375 2.930 20 10 CFCDRN CCN(CC(C)=O)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000820418312 622668245 /nfs/dbraw/zinc/66/82/45/622668245.db2.gz GOBZWKDWPVFCDS-UHFFFAOYSA-N 0 0 299.374 2.540 20 10 CFCDRN CCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC000820561276 622703646 /nfs/dbraw/zinc/70/36/46/622703646.db2.gz FIWBWKKDIZXFCR-UHFFFAOYSA-N 0 0 274.324 2.912 20 10 CFCDRN CCOc1ccc(N(C)Cc2nnc(CC)o2)cc1 ZINC000150732816 622718489 /nfs/dbraw/zinc/71/84/89/622718489.db2.gz FIQGJVQBKGQEHP-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C3CC3)CC2)cc1 ZINC000820901371 622787570 /nfs/dbraw/zinc/78/75/70/622787570.db2.gz LOBCGTZMJCLIGY-UHFFFAOYSA-N 0 0 272.308 2.521 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)c(O)c1O ZINC000913019681 622826818 /nfs/dbraw/zinc/82/68/18/622826818.db2.gz GXDIRKSPMBUVJE-VIFPVBQESA-N 0 0 289.253 2.573 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCCc1cn[nH]n1 ZINC000821070152 622839607 /nfs/dbraw/zinc/83/96/07/622839607.db2.gz ZLHCRUHSIDYVQT-UHFFFAOYSA-N 0 0 285.376 2.540 20 10 CFCDRN CN(CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821134330 622852816 /nfs/dbraw/zinc/85/28/16/622852816.db2.gz AZZYGPWDZYVQTF-UHFFFAOYSA-N 0 0 274.324 2.721 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)OC ZINC000821454429 622926543 /nfs/dbraw/zinc/92/65/43/622926543.db2.gz HSZXNEQZKDTKEB-ZDUSSCGKSA-N 0 0 294.395 2.739 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cn2)c1 ZINC000156440055 622941253 /nfs/dbraw/zinc/94/12/53/622941253.db2.gz DCNRZFAPTSLOIS-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1F ZINC000821761354 622971544 /nfs/dbraw/zinc/97/15/44/622971544.db2.gz SLQNQIBGJKDUOH-BXKDBHETSA-N 0 0 292.314 2.669 20 10 CFCDRN CC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057646952 623007908 /nfs/dbraw/zinc/00/79/08/623007908.db2.gz AFCGIYVRIOBIIN-NSHDSACASA-N 0 0 281.375 2.832 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224572199 623007981 /nfs/dbraw/zinc/00/79/81/623007981.db2.gz IENUYPCIOLSEIA-LLVKDONJSA-N 0 0 257.761 2.542 20 10 CFCDRN CC(C)OCCCCNC(=O)Nc1ccc(N)cc1 ZINC000225384525 623037170 /nfs/dbraw/zinc/03/71/70/623037170.db2.gz QXAYMKRYDLSKNZ-UHFFFAOYSA-N 0 0 265.357 2.596 20 10 CFCDRN Cc1cccc(C)c1C(=O)NCc1ccccc1O ZINC000225875547 623051471 /nfs/dbraw/zinc/05/14/71/623051471.db2.gz RXCVXUBBSDQLDX-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN COC(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000226581797 623083899 /nfs/dbraw/zinc/08/38/99/623083899.db2.gz TWGPNNYEQYQYTF-UHFFFAOYSA-N 0 0 275.279 2.930 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CC2)cc1OC ZINC000822588559 623131713 /nfs/dbraw/zinc/13/17/13/623131713.db2.gz WANSFSMNOVLNEK-HNNXBMFYSA-N 0 0 265.353 2.565 20 10 CFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000822595942 623132449 /nfs/dbraw/zinc/13/24/49/623132449.db2.gz LZHYTADMDLDHJK-INIZCTEOSA-N 0 0 292.423 2.964 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2nccnc2C)cc1 ZINC000822607465 623134910 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CC(C)[C@@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000838764659 626504912 /nfs/dbraw/zinc/50/49/12/626504912.db2.gz OSYNWIRCENKENM-GOEBONIOSA-N 0 0 276.380 2.968 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@]2(C)C(C)C)c(O)c1 ZINC000838766695 626505035 /nfs/dbraw/zinc/50/50/35/626505035.db2.gz UYOPPVKWHFPQKP-GDBMZVCRSA-N 0 0 292.379 2.635 20 10 CFCDRN CCn1nncc1CN1CCCCc2cc(OC)ccc21 ZINC000838908873 626513400 /nfs/dbraw/zinc/51/34/00/626513400.db2.gz NSNWAQQXWMIEAL-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN CCCCCOC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000839134660 626528082 /nfs/dbraw/zinc/52/80/82/626528082.db2.gz RQMOHBFCBKJZKI-UHFFFAOYSA-N 0 0 293.363 2.512 20 10 CFCDRN Cc1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000839169328 626529230 /nfs/dbraw/zinc/52/92/30/626529230.db2.gz HIRXMONOCXDKRX-UHFFFAOYSA-N 0 0 270.691 2.771 20 10 CFCDRN CN(C)c1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000103414767 626534504 /nfs/dbraw/zinc/53/45/04/626534504.db2.gz ODHWLMLPWCFBDS-IZZDOVSWSA-N 0 0 281.359 2.824 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC[C@H](C)O ZINC000789363476 626539602 /nfs/dbraw/zinc/53/96/02/626539602.db2.gz RYCHNQPIEVISAF-ZDUSSCGKSA-N 0 0 263.381 2.999 20 10 CFCDRN Cc1cccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000809696821 626554200 /nfs/dbraw/zinc/55/42/00/626554200.db2.gz RRVXCAMRNXEJHF-ZYHUDNBSSA-N 0 0 289.297 2.852 20 10 CFCDRN COc1cc(C)nc(COC(=O)C2=CC(=O)CS2)c1 ZINC000757710467 626560158 /nfs/dbraw/zinc/56/01/58/626560158.db2.gz NOSNWAJJLPYRNM-UHFFFAOYSA-N 0 0 279.317 2.523 20 10 CFCDRN CC(C)OCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000757977876 626571264 /nfs/dbraw/zinc/57/12/64/626571264.db2.gz NVHSYRGYUHJXEZ-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN COC(=O)c1ccc(COC(=O)C2=CC(=O)CS2)s1 ZINC000758026486 626573738 /nfs/dbraw/zinc/57/37/38/626573738.db2.gz XIDOCQRCZGKDGO-UHFFFAOYSA-N 0 0 298.341 2.659 20 10 CFCDRN C[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000759587939 626673795 /nfs/dbraw/zinc/67/37/95/626673795.db2.gz FZYXEIBWLGIQAA-WGAJWPLOSA-N 0 0 290.237 2.853 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC/C(Cl)=C/Cl ZINC000759594138 626674339 /nfs/dbraw/zinc/67/43/39/626674339.db2.gz LMIABHBASJNVIJ-ZOSQJABWSA-N 0 0 289.114 2.973 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2nnc(C)o2)cc1 ZINC000759642514 626679036 /nfs/dbraw/zinc/67/90/36/626679036.db2.gz GWNJJTKJYNFWPX-UHFFFAOYSA-N 0 0 288.395 2.856 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@H]1CC12CCC2 ZINC000759790080 626691356 /nfs/dbraw/zinc/69/13/56/626691356.db2.gz LVZRGQYMXHHMCP-SNVBAGLBSA-N 0 0 282.434 2.932 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC12CCC2 ZINC000759794889 626691950 /nfs/dbraw/zinc/69/19/50/626691950.db2.gz URLMLCZMJWOLKY-HNNXBMFYSA-N 0 0 272.392 2.867 20 10 CFCDRN CC1(CC(=O)NCCCSc2nccs2)CC1 ZINC000760332843 626735293 /nfs/dbraw/zinc/73/52/93/626735293.db2.gz NRQVKKNAKUTVNN-UHFFFAOYSA-N 0 0 270.423 2.932 20 10 CFCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000760451127 626747116 /nfs/dbraw/zinc/74/71/16/626747116.db2.gz WLYDERGHBKVZTM-SECBINFHSA-N 0 0 253.367 2.962 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)nc(OC)n2)c1 ZINC000760526147 626753006 /nfs/dbraw/zinc/75/30/06/626753006.db2.gz VKHLXNSUZTXKOH-SNVBAGLBSA-N 0 0 289.335 2.681 20 10 CFCDRN Cc1cccc2c1CN(C(=O)c1cccc(O)c1O)CC2 ZINC000760665651 626761868 /nfs/dbraw/zinc/76/18/68/626761868.db2.gz HXQMCIDMEGYWQP-UHFFFAOYSA-N 0 0 283.327 2.605 20 10 CFCDRN Oc1cc2c(cc1CN(CC(F)F)CC1CCC1)OCO2 ZINC000761289575 626821977 /nfs/dbraw/zinc/82/19/77/626821977.db2.gz BEDFWGOJTIYGBR-UHFFFAOYSA-N 0 0 299.317 2.988 20 10 CFCDRN CCC/C=C/C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761972322 626875928 /nfs/dbraw/zinc/87/59/28/626875928.db2.gz ISPOTDVFYFNMIW-MLRMMBSGSA-N 0 0 263.337 2.934 20 10 CFCDRN c1ccn(-c2ccc(-c3nc(-c4ncc[nH]4)no3)cc2)c1 ZINC000762121205 626893758 /nfs/dbraw/zinc/89/37/58/626893758.db2.gz GXKPYQJQECUADL-UHFFFAOYSA-N 0 0 277.287 2.917 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(C3CC3)nn2)c1 ZINC000762653327 626928430 /nfs/dbraw/zinc/92/84/30/626928430.db2.gz WPZWSPZPHYNEAN-UHFFFAOYSA-N 0 0 255.321 2.980 20 10 CFCDRN Fc1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763163121 626967266 /nfs/dbraw/zinc/96/72/66/626967266.db2.gz GJDXSGDRMRTNED-UHFFFAOYSA-N 0 0 279.315 2.846 20 10 CFCDRN O=C(OCCc1ccccc1F)C1=CC(=O)CS1 ZINC000763198974 626969949 /nfs/dbraw/zinc/96/99/49/626969949.db2.gz SVMDLAKYRUFTCC-UHFFFAOYSA-N 0 0 266.293 2.992 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C)ns1 ZINC000763258697 626973701 /nfs/dbraw/zinc/97/37/01/626973701.db2.gz WAPQOJTWSJMKOB-UHFFFAOYSA-N 0 0 291.376 2.605 20 10 CFCDRN C/C=C\C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OCC ZINC000763361762 626982622 /nfs/dbraw/zinc/98/26/22/626982622.db2.gz LZNSWGSMBWIQTA-UYWPIULCSA-N 0 0 289.375 2.609 20 10 CFCDRN C/C=C/C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OCC ZINC000763360283 626982653 /nfs/dbraw/zinc/98/26/53/626982653.db2.gz CXIDCCLRKZPDOZ-YERXGYGTSA-N 0 0 290.407 2.740 20 10 CFCDRN COCCN(CC1CC1)c1ccc(OC)c(OC)c1 ZINC000763560353 626998240 /nfs/dbraw/zinc/99/82/40/626998240.db2.gz NWVDBRDHJMADSC-UHFFFAOYSA-N 0 0 265.353 2.567 20 10 CFCDRN Oc1cc2c(cc1CN1CCc3c1cccc3F)OCO2 ZINC000764679113 627083897 /nfs/dbraw/zinc/08/38/97/627083897.db2.gz YPVHRMVTVCMKMR-UHFFFAOYSA-N 0 0 287.290 2.823 20 10 CFCDRN Cc1cc(C)nc(NC(=O)NCc2ccccc2O)c1 ZINC000765277976 627128052 /nfs/dbraw/zinc/12/80/52/627128052.db2.gz WCCYGYDAFPDYQK-UHFFFAOYSA-N 0 0 271.320 2.726 20 10 CFCDRN COC[C@@H](CN(CC(C)C)c1ccc(OC)cc1)OC ZINC000851828549 634550246 /nfs/dbraw/zinc/55/02/46/634550246.db2.gz ANNMQOKOSUKVEY-MRXNPFEDSA-N 0 0 281.396 2.819 20 10 CFCDRN Cc1cc(C(=O)N2CC(C)(O)C2)c(C)n1-c1ccccc1C ZINC000765444296 627138369 /nfs/dbraw/zinc/13/83/69/627138369.db2.gz DJIJJQYELITGEN-UHFFFAOYSA-N 0 0 298.386 2.609 20 10 CFCDRN Cc1ccc(C(=O)NC2CCC3(CC3)CC2)c(O)c1O ZINC000765642740 627152349 /nfs/dbraw/zinc/15/23/49/627152349.db2.gz RWILILBMRGRSQG-UHFFFAOYSA-N 0 0 275.348 2.859 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]c2cc(F)ccc12 ZINC000765839603 627160792 /nfs/dbraw/zinc/16/07/92/627160792.db2.gz PUXHDQQLFMTTKJ-UHFFFAOYSA-N 0 0 284.290 2.943 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](CC(F)(F)F)C1 ZINC000765926524 627163727 /nfs/dbraw/zinc/16/37/27/627163727.db2.gz GQCXTERQCLLVBD-SSDOTTSWSA-N 0 0 279.283 2.868 20 10 CFCDRN CN(C)c1ccc(CNc2ncn(C(C)(C)C)n2)cc1 ZINC000765949263 627166254 /nfs/dbraw/zinc/16/62/54/627166254.db2.gz BNEOXDOPOSXRQL-UHFFFAOYSA-N 0 0 273.384 2.711 20 10 CFCDRN CC[C@@H](C)NC(=O)CN1CCCCc2cc(OC)ccc21 ZINC000766270106 627189131 /nfs/dbraw/zinc/18/91/31/627189131.db2.gz PYUIGLCNPGLVAF-CYBMUJFWSA-N 0 0 290.407 2.753 20 10 CFCDRN COc1ccc2c(c1)CCCN2CN1CCSC1=O ZINC000766341821 627196484 /nfs/dbraw/zinc/19/64/84/627196484.db2.gz QSIKGSIQRPIZAL-UHFFFAOYSA-N 0 0 278.377 2.574 20 10 CFCDRN Fc1cc(/C=C\c2ccncn2)ccc1N1CCOCC1 ZINC000766692665 627215114 /nfs/dbraw/zinc/21/51/14/627215114.db2.gz HDMHRSHOASZKIG-IWQZZHSRSA-N 0 0 285.322 2.623 20 10 CFCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)nn1C ZINC000767828252 627288503 /nfs/dbraw/zinc/28/85/03/627288503.db2.gz RCQCIEFZGXSWSE-UHFFFAOYSA-N 0 0 271.364 2.908 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)n(C)n2)cc1F ZINC000767901933 627293552 /nfs/dbraw/zinc/29/35/52/627293552.db2.gz JISSRVOPWSDLQW-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN Cc1cc(C(=O)NCCCSc2nccs2)ns1 ZINC000767920441 627294972 /nfs/dbraw/zinc/29/49/72/627294972.db2.gz BBYCVBJDISVMDT-UHFFFAOYSA-N 0 0 299.446 2.820 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(F)n2)c(OC)c1 ZINC000851865451 634563711 /nfs/dbraw/zinc/56/37/11/634563711.db2.gz VSXJFUGJVCRLQF-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CCOCCC1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000768265589 627329801 /nfs/dbraw/zinc/32/98/01/627329801.db2.gz SAUJPGSNBKQHAU-UHFFFAOYSA-N 0 0 283.393 2.780 20 10 CFCDRN C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518238 627348347 /nfs/dbraw/zinc/34/83/47/627348347.db2.gz ABVWAFACFLEOKA-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1cc(N(C)C[C@H]2CCCOC2)cc(OC)c1OC ZINC000768530975 627350985 /nfs/dbraw/zinc/35/09/85/627350985.db2.gz RNRVSEDTVAFRHZ-GFCCVEGCSA-N 0 0 295.379 2.575 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2c(O)cccc21 ZINC000768664223 627362556 /nfs/dbraw/zinc/36/25/56/627362556.db2.gz NWTDGNCQSTUKGK-ZHRWSRJISA-N 0 0 297.358 2.679 20 10 CFCDRN Cc1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000809979669 627369635 /nfs/dbraw/zinc/36/96/35/627369635.db2.gz ARZHUTPMWODPIQ-MNOVXSKESA-N 0 0 274.368 2.856 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000768827596 627377429 /nfs/dbraw/zinc/37/74/29/627377429.db2.gz XATFTFKJPXTZLX-PXAZEXFGSA-N 0 0 298.386 2.547 20 10 CFCDRN CN(Cc1coc(C2CC2)n1)Cc1ccccc1O ZINC000768873610 627382015 /nfs/dbraw/zinc/38/20/15/627382015.db2.gz RIQCTKAVJGBHQL-UHFFFAOYSA-N 0 0 258.321 2.890 20 10 CFCDRN CCOC(=O)CN(CC)Cc1ccc(N(CC)CC)cc1 ZINC000769004778 627394360 /nfs/dbraw/zinc/39/43/60/627394360.db2.gz KXHOYLUZQBRQQB-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1csc(C=O)c1 ZINC000769283330 627418672 /nfs/dbraw/zinc/41/86/72/627418672.db2.gz VADJRMNGFSICOO-UHFFFAOYSA-N 0 0 275.329 2.538 20 10 CFCDRN Cc1noc(C(F)F)c1C(=O)N(C)Cc1ccccc1O ZINC000769282710 627418736 /nfs/dbraw/zinc/41/87/36/627418736.db2.gz PHCXSPUAGIGJRS-UHFFFAOYSA-N 0 0 296.273 2.898 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1cnccn1 ZINC000769289156 627419265 /nfs/dbraw/zinc/41/92/65/627419265.db2.gz DVSYIVBPGWZHIY-FPLPWBNLSA-N 0 0 297.358 2.634 20 10 CFCDRN CCN(CC(=O)OC)Cc1ccc(N(CC)CC)c(F)c1 ZINC000769317950 627423631 /nfs/dbraw/zinc/42/36/31/627423631.db2.gz XOXPJWRJJBMOFN-UHFFFAOYSA-N 0 0 296.386 2.667 20 10 CFCDRN O=C(CCOc1cccc(F)c1)NCc1ccccc1O ZINC000769362927 627428523 /nfs/dbraw/zinc/42/85/23/627428523.db2.gz AFSZMMXZLFSBNU-UHFFFAOYSA-N 0 0 289.306 2.617 20 10 CFCDRN CN(Cc1nc[nH]n1)Cc1cc(-c2ccccc2)ccc1O ZINC000769459818 627442609 /nfs/dbraw/zinc/44/26/09/627442609.db2.gz GMLLZWRSAFQKQN-UHFFFAOYSA-N 0 0 294.358 2.809 20 10 CFCDRN CCN(CC)c1ccc(CN2CCc3c[nH]nc3C2)cc1 ZINC000769468641 627444463 /nfs/dbraw/zinc/44/44/63/627444463.db2.gz LSABHVWRBNKEKB-UHFFFAOYSA-N 0 0 284.407 2.814 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000769494815 627447753 /nfs/dbraw/zinc/44/77/53/627447753.db2.gz ACBINUYWAUTWME-ZWNOBZJWSA-N 0 0 289.297 2.852 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC2CC2)c1 ZINC000769507368 627449228 /nfs/dbraw/zinc/44/92/28/627449228.db2.gz AEPYBQNOJKKFMQ-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000769557540 627455641 /nfs/dbraw/zinc/45/56/41/627455641.db2.gz SFXVOQXOIATXLY-GFCCVEGCSA-N 0 0 299.729 2.991 20 10 CFCDRN COc1cccc(CNc2cnn(C)c2C2CC2)c1O ZINC000769925414 627488327 /nfs/dbraw/zinc/48/83/27/627488327.db2.gz RJQWJUJYCIRNKZ-UHFFFAOYSA-N 0 0 273.336 2.624 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccsc2)c(O)c1O ZINC000770470008 627524539 /nfs/dbraw/zinc/52/45/39/627524539.db2.gz NQZIYQXRKQUCMI-UHFFFAOYSA-N 0 0 277.345 2.740 20 10 CFCDRN CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000771168279 627581969 /nfs/dbraw/zinc/58/19/69/627581969.db2.gz WBDYNKVACXGTED-MRXNPFEDSA-N 0 0 290.407 2.574 20 10 CFCDRN O=C(N[C@@H]1CC12CCCCC2)C1=CC(=O)CS1 ZINC000771402318 627602512 /nfs/dbraw/zinc/60/25/12/627602512.db2.gz CTWTWBVFDKNRLI-LLVKDONJSA-N 0 0 251.351 2.906 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cncc2ccccc12 ZINC000772802119 627747406 /nfs/dbraw/zinc/74/74/06/627747406.db2.gz KWEJAQXLGYCIKX-VZUCSPMQSA-N 0 0 272.354 2.724 20 10 CFCDRN CCc1nc(C(=O)NCCCSc2nccs2)co1 ZINC000772983275 627765102 /nfs/dbraw/zinc/76/51/02/627765102.db2.gz YGOMXYPCQFYQLY-UHFFFAOYSA-N 0 0 297.405 2.606 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000772995417 627766298 /nfs/dbraw/zinc/76/62/98/627766298.db2.gz BKLROXSXSOTZFB-NSHDSACASA-N 0 0 273.336 2.540 20 10 CFCDRN CCOCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772999837 627766966 /nfs/dbraw/zinc/76/69/66/627766966.db2.gz MYKYRRLHGQWUHB-CYBMUJFWSA-N 0 0 278.396 2.747 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773012411 627768239 /nfs/dbraw/zinc/76/82/39/627768239.db2.gz HNBSIODACCPJIE-BBRMVZONSA-N 0 0 290.407 2.889 20 10 CFCDRN C[C@@H](NC(=O)/C=C/C1CC1)c1ccc(N(C)C)cc1 ZINC000773019035 627769847 /nfs/dbraw/zinc/76/98/47/627769847.db2.gz OAFXABXMUREOCS-IGEMTJHASA-N 0 0 258.365 2.896 20 10 CFCDRN Cc1cc(=O)[nH]cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019397 627769850 /nfs/dbraw/zinc/76/98/50/627769850.db2.gz LGGOZAQGQPQKOC-GFCCVEGCSA-N 0 0 299.374 2.653 20 10 CFCDRN C[C@H](NC(=O)CCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000773019331 627769978 /nfs/dbraw/zinc/76/99/78/627769978.db2.gz KRKPFUYMFCTKSC-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000773028187 627770823 /nfs/dbraw/zinc/77/08/23/627770823.db2.gz YLHBUNOOECNRKD-BBRMVZONSA-N 0 0 290.407 2.889 20 10 CFCDRN CC(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773113788 627784419 /nfs/dbraw/zinc/78/44/19/627784419.db2.gz RARGATQTKPHQIK-LBPRGKRZSA-N 0 0 263.385 2.769 20 10 CFCDRN C[C@@H](NC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000773145573 627788720 /nfs/dbraw/zinc/78/87/20/627788720.db2.gz NPWWPHYIRKSVRV-LLVKDONJSA-N 0 0 261.369 2.523 20 10 CFCDRN CO[C@@H](C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773271161 627800614 /nfs/dbraw/zinc/80/06/14/627800614.db2.gz CGBJKDQIRZOIAC-STQMWFEESA-N 0 0 293.411 2.538 20 10 CFCDRN Cc1cc(C(=O)N2COCC2(C)C)c(C)n1-c1ccccn1 ZINC000773378603 627810746 /nfs/dbraw/zinc/81/07/46/627810746.db2.gz WMPODSDBJAOMIW-UHFFFAOYSA-N 0 0 299.374 2.698 20 10 CFCDRN COc1cccc(CNC(=O)CC[C@@H](C)SC)c1O ZINC000773475728 627825489 /nfs/dbraw/zinc/82/54/89/627825489.db2.gz CETCRVDYJIAMKA-SNVBAGLBSA-N 0 0 283.393 2.549 20 10 CFCDRN CCN(C)c1ccc(CN2CCN(CC(F)F)CC2)cc1 ZINC000773754238 627854909 /nfs/dbraw/zinc/85/49/09/627854909.db2.gz IAVJTRZVBNBBSV-UHFFFAOYSA-N 0 0 297.393 2.525 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000773762209 627855841 /nfs/dbraw/zinc/85/58/41/627855841.db2.gz LJHPTLPTPVNIMS-NQBHXWOUSA-N 0 0 277.364 2.581 20 10 CFCDRN CC(C)NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774255061 627908568 /nfs/dbraw/zinc/90/85/68/627908568.db2.gz JKEKJPNAQFNBOA-LLVKDONJSA-N 0 0 265.426 2.686 20 10 CFCDRN CC(C)CNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774254366 627908751 /nfs/dbraw/zinc/90/87/51/627908751.db2.gz HLPXUOWFWQICHN-LBPRGKRZSA-N 0 0 279.453 2.934 20 10 CFCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)s1 ZINC000774523188 627934565 /nfs/dbraw/zinc/93/45/65/627934565.db2.gz GUSIFYPYPYMRIF-UHFFFAOYSA-N 0 0 250.279 2.974 20 10 CFCDRN COC[C@@H](CN(C)c1ccc(OC(C)C)cc1)OC ZINC000851986037 634616270 /nfs/dbraw/zinc/61/62/70/634616270.db2.gz ZQEFUXNVGISOJP-OAHLLOKOSA-N 0 0 267.369 2.571 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774886108 627977580 /nfs/dbraw/zinc/97/75/80/627977580.db2.gz LLCQXCSAXREFRF-UHFFFAOYSA-N 0 0 280.324 2.541 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904347 627978314 /nfs/dbraw/zinc/97/83/14/627978314.db2.gz RAEJZKOKWPUMMW-ZJUUUORDSA-N 0 0 280.324 2.539 20 10 CFCDRN C[C@H](NCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775258025 628004121 /nfs/dbraw/zinc/00/41/21/628004121.db2.gz OZPQNWZEUNPAMS-NSHDSACASA-N 0 0 288.313 2.736 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000775370037 628016733 /nfs/dbraw/zinc/01/67/33/628016733.db2.gz KGBABUBTQDEECD-NXEZZACHSA-N 0 0 291.351 2.758 20 10 CFCDRN C[C@H](NC(=O)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000775407344 628021449 /nfs/dbraw/zinc/02/14/49/628021449.db2.gz SQVJRJZJENNJIQ-LBPRGKRZSA-N 0 0 284.359 2.949 20 10 CFCDRN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775411139 628022640 /nfs/dbraw/zinc/02/26/40/628022640.db2.gz PBRZTTNDLFPSEU-JTQLQIEISA-N 0 0 287.363 2.848 20 10 CFCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775414115 628023201 /nfs/dbraw/zinc/02/32/01/628023201.db2.gz FJFIQIUVYRHLKD-LLVKDONJSA-N 0 0 288.351 2.932 20 10 CFCDRN Cc1nnc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000775540437 628035442 /nfs/dbraw/zinc/03/54/42/628035442.db2.gz LOZNSBRGTPGOLO-LBPRGKRZSA-N 0 0 271.368 2.728 20 10 CFCDRN Cc1ncc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775601813 628045576 /nfs/dbraw/zinc/04/55/76/628045576.db2.gz YJVUMGOCLUFRFS-NSHDSACASA-N 0 0 299.378 2.734 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000775668535 628052359 /nfs/dbraw/zinc/05/23/59/628052359.db2.gz DRBRVZYCHVQAHP-CYBMUJFWSA-N 0 0 298.789 2.855 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000775680370 628054584 /nfs/dbraw/zinc/05/45/84/628054584.db2.gz BDPOGPAOKFELTP-LLVKDONJSA-N 0 0 269.772 2.640 20 10 CFCDRN COC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775690178 628055925 /nfs/dbraw/zinc/05/59/25/628055925.db2.gz KJOCFDFMYSUKTF-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+]2CCCOC[C@@H]2C)c1O ZINC000775704321 628056603 /nfs/dbraw/zinc/05/66/03/628056603.db2.gz APRJNNKILRBEIW-NSHDSACASA-N 0 0 269.772 2.965 20 10 CFCDRN C[C@H]1COCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775707644 628057673 /nfs/dbraw/zinc/05/76/73/628057673.db2.gz XMJQACXRXADAAF-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000775735874 628060639 /nfs/dbraw/zinc/06/06/39/628060639.db2.gz DQLDYFMAACAHQZ-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H](COC)OC ZINC000852018303 634627621 /nfs/dbraw/zinc/62/76/21/634627621.db2.gz LJQKAJIHKOQEID-OAHLLOKOSA-N 0 0 281.396 2.656 20 10 CFCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)nc1 ZINC000775974378 628089567 /nfs/dbraw/zinc/08/95/67/628089567.db2.gz HKGNNSIJXRUNJQ-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)ccc1O ZINC000776003433 628093189 /nfs/dbraw/zinc/09/31/89/628093189.db2.gz WRTGBWKATGPFDZ-ZWNOBZJWSA-N 0 0 297.782 2.819 20 10 CFCDRN CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(CC)C1=O ZINC000852019457 634629350 /nfs/dbraw/zinc/62/93/50/634629350.db2.gz ZEVWWVMDSWJWDZ-HNNXBMFYSA-N 0 0 290.407 2.615 20 10 CFCDRN Cn1cc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC000776171434 628110501 /nfs/dbraw/zinc/11/05/01/628110501.db2.gz SLMCHBCHHVPWQD-UHFFFAOYSA-N 0 0 255.680 2.530 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000776219958 628118876 /nfs/dbraw/zinc/11/88/76/628118876.db2.gz SHFUETXUCAENER-RKDXNWHRSA-N 0 0 273.735 2.699 20 10 CFCDRN CCC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000776221551 628118984 /nfs/dbraw/zinc/11/89/84/628118984.db2.gz SKSVVDIKJKRDTC-UHFFFAOYSA-N 0 0 296.798 2.536 20 10 CFCDRN C[C@@H](NC(=O)N1CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776245688 628121239 /nfs/dbraw/zinc/12/12/39/628121239.db2.gz MQRADJJSPOPZFG-NWDGAFQWSA-N 0 0 261.369 2.617 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NOC2CCCCC2)cc1 ZINC000777718070 628248569 /nfs/dbraw/zinc/24/85/69/628248569.db2.gz KOADOFNGYKTJTC-UHFFFAOYSA-N 0 0 291.395 2.816 20 10 CFCDRN O=C(OCc1ccc2c(c1)COC2)C1=CC(=O)CS1 ZINC000778117507 628278648 /nfs/dbraw/zinc/27/86/48/628278648.db2.gz HEYFYTZABAQFAC-UHFFFAOYSA-N 0 0 276.313 2.841 20 10 CFCDRN CN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1O ZINC000778519594 628312312 /nfs/dbraw/zinc/31/23/12/628312312.db2.gz JCTNPGKLVYJZBV-CQSZACIVSA-N 0 0 272.279 2.728 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(CO)cc2)cc1OC ZINC000778939229 628340948 /nfs/dbraw/zinc/34/09/48/628340948.db2.gz QFOAJYAZNNAIDO-UHFFFAOYSA-N 0 0 287.359 2.833 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000779023627 628347054 /nfs/dbraw/zinc/34/70/54/628347054.db2.gz UZLXKKHHALORAQ-UFBFGSQYSA-N 0 0 293.260 2.683 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000779082624 628350974 /nfs/dbraw/zinc/35/09/74/628350974.db2.gz BGQUVXULOJAIKB-JCOFBHIZSA-N 0 0 271.307 2.625 20 10 CFCDRN CC[C@@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000779127411 628354398 /nfs/dbraw/zinc/35/43/98/628354398.db2.gz ZEULYATZUYXNSH-GFCCVEGCSA-N 0 0 283.343 2.741 20 10 CFCDRN CS[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779523722 628386368 /nfs/dbraw/zinc/38/63/68/628386368.db2.gz FCDWXYQTRCQYJF-AKCLXAHESA-N 0 0 293.388 2.511 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC(C1CC1)C1CC1 ZINC000779525635 628386397 /nfs/dbraw/zinc/38/63/97/628386397.db2.gz MNYBZUWCHDNKDK-KRXBUXKQSA-N 0 0 287.359 2.663 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ccc(CO)o1 ZINC000780767099 628495657 /nfs/dbraw/zinc/49/56/57/628495657.db2.gz OVEFXFKLVVJVMW-UHFFFAOYSA-N 0 0 273.332 2.733 20 10 CFCDRN CN(Cc1nc2c(s1)CCC2)c1ccc2c(c1)OCO2 ZINC000780778578 628496428 /nfs/dbraw/zinc/49/64/28/628496428.db2.gz MUZUGDIXJLJHRD-UHFFFAOYSA-N 0 0 288.372 2.997 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(N)s2)cc1F ZINC000780779386 628496515 /nfs/dbraw/zinc/49/65/15/628496515.db2.gz AKXOITCJDPBYFJ-UHFFFAOYSA-N 0 0 267.329 2.509 20 10 CFCDRN C[C@@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778704 628496520 /nfs/dbraw/zinc/49/65/20/628496520.db2.gz PAJLPGNVZGPYLA-VXGBXAGGSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000780783454 628496813 /nfs/dbraw/zinc/49/68/13/628496813.db2.gz CPZBHPZCKRAZSH-WOPDTQHZSA-N 0 0 292.379 2.950 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c(O)c1O ZINC000780879359 628502044 /nfs/dbraw/zinc/50/20/44/628502044.db2.gz RFBXXOONGTTXTG-JTQLQIEISA-N 0 0 265.353 2.913 20 10 CFCDRN Cc1ccc(C(=O)N2C3CCCC2CCC3)c(O)c1O ZINC000780950002 628507442 /nfs/dbraw/zinc/50/74/42/628507442.db2.gz JBUHUEYVACGFML-UHFFFAOYSA-N 0 0 275.348 2.953 20 10 CFCDRN CO[C@@H](C)COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000782305838 628626995 /nfs/dbraw/zinc/62/69/95/628626995.db2.gz SPNFJMLFLMQHTM-VIFPVBQESA-N 0 0 294.376 2.687 20 10 CFCDRN O=C(COC(=O)C1CCCCCC1)c1ccc(O)c(O)c1 ZINC000783372630 628701800 /nfs/dbraw/zinc/70/18/00/628701800.db2.gz OSVOXPFQJBCQDI-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN Cc1cc(Br)c(O)c(CNc2ncccn2)c1 ZINC000783625833 628728240 /nfs/dbraw/zinc/72/82/40/628728240.db2.gz GEPZAMLRACMUKO-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CN(C[C@H]1CCC(=O)O1)c1ccc(-c2nccs2)cc1 ZINC000852167080 634679174 /nfs/dbraw/zinc/67/91/74/634679174.db2.gz WAAORCBQCRIZNW-CYBMUJFWSA-N 0 0 288.372 2.952 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783742739 628740567 /nfs/dbraw/zinc/74/05/67/628740567.db2.gz OUVMGBGMFSHWKQ-TVQRCGJNSA-N 0 0 288.174 2.513 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)[C@H](C)O1 ZINC000783738442 628740584 /nfs/dbraw/zinc/74/05/84/628740584.db2.gz VKHWCXOJFSRBKS-UPJWGTAASA-N 0 0 280.387 2.889 20 10 CFCDRN C[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783854872 628750240 /nfs/dbraw/zinc/75/02/40/628750240.db2.gz KFWTVKRYVAFKKM-ZYHUDNBSSA-N 0 0 292.331 2.650 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C\c1cnccc1C ZINC000784055075 628769719 /nfs/dbraw/zinc/76/97/19/628769719.db2.gz ZAMLNNPNZBZREU-WAYWQWQTSA-N 0 0 271.320 2.671 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000784077293 628773383 /nfs/dbraw/zinc/77/33/83/628773383.db2.gz VFZXLHNDVDWXPK-ZDUSSCGKSA-N 0 0 270.323 2.502 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784118097 628779228 /nfs/dbraw/zinc/77/92/28/628779228.db2.gz PUOVSAQRAJEDFK-QWRGUYRKSA-N 0 0 292.331 2.650 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000784669390 628835874 /nfs/dbraw/zinc/83/58/74/628835874.db2.gz GWPWXFRMRGMJEY-HAQNSBGRSA-N 0 0 287.762 2.920 20 10 CFCDRN CC(C)C[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784737616 628839512 /nfs/dbraw/zinc/83/95/12/628839512.db2.gz ZQJDQCFYNGJLTP-JTQLQIEISA-N 0 0 280.320 2.506 20 10 CFCDRN COc1ccc(NCc2ccccc2O)cc1NC(N)=O ZINC000785561725 628893968 /nfs/dbraw/zinc/89/39/68/628893968.db2.gz VIAGNSFKZAMDLI-UHFFFAOYSA-N 0 0 287.319 2.504 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)c(OC)c1 ZINC000785765067 628911933 /nfs/dbraw/zinc/91/19/33/628911933.db2.gz YQFUWJWSHZXGOJ-OLZOCXBDSA-N 0 0 279.380 2.955 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc[nH]c2C2CC2)c1 ZINC000786410874 628954813 /nfs/dbraw/zinc/95/48/13/628954813.db2.gz VGWHGZYIPDUPRG-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000786578875 628969502 /nfs/dbraw/zinc/96/95/02/628969502.db2.gz KOKQJJWXHHANIS-JGVFFNPUSA-N 0 0 261.724 2.698 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)ccc21 ZINC000787124988 628995015 /nfs/dbraw/zinc/99/50/15/628995015.db2.gz GCRHXRVJLFTRDT-SCAQPMJSSA-N 0 0 299.418 2.667 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Cc2ccsc2C)c1 ZINC000787130856 628995327 /nfs/dbraw/zinc/99/53/27/628995327.db2.gz ASPZFGCJQOLZPD-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H](O)CC(F)(F)C2)c1O ZINC000787437738 629012836 /nfs/dbraw/zinc/01/28/36/629012836.db2.gz BXDXFWQQKVWOIZ-LLVKDONJSA-N 0 0 291.725 2.556 20 10 CFCDRN COc1cnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000787794437 629036186 /nfs/dbraw/zinc/03/61/86/629036186.db2.gz WGTKVGJNCRZDBL-UHFFFAOYSA-N 0 0 293.348 2.521 20 10 CFCDRN C[C@@H]([NH2+]CCOCC(F)F)c1cc(F)cc(F)c1[O-] ZINC000788259710 629053814 /nfs/dbraw/zinc/05/38/14/629053814.db2.gz OQTQVQMIDDTRGG-SSDOTTSWSA-N 0 0 281.249 2.603 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1cc(Cl)ccc1O ZINC000788983722 629114021 /nfs/dbraw/zinc/11/40/21/629114021.db2.gz GADTYLAHYCUWOB-MRVPVSSYSA-N 0 0 281.743 2.961 20 10 CFCDRN CCOc1ccc(CN2C[C@H](O)Cc3ccccc32)c(O)c1 ZINC000789768354 629186846 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/nfs/dbraw/zinc/49/63/18/631496318.db2.gz FVTZODVOTXIFQC-UHFFFAOYSA-N 0 0 277.412 2.793 20 10 CFCDRN C[C@H](c1ccco1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956848 631496468 /nfs/dbraw/zinc/49/64/68/631496468.db2.gz KHAJRTIWMZLBAY-GFCCVEGCSA-N 0 0 287.363 2.807 20 10 CFCDRN Nc1ccc(CCNC(=O)NC2(C(F)F)CCCC2)cc1 ZINC000841957110 631496556 /nfs/dbraw/zinc/49/65/56/631496556.db2.gz OKGYFSONPNLGQB-UHFFFAOYSA-N 0 0 297.349 2.688 20 10 CFCDRN CC(C)(C)[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960814 631497634 /nfs/dbraw/zinc/49/76/34/631497634.db2.gz XLQVGNXVVBABOI-AWEZNQCLSA-N 0 0 289.423 2.889 20 10 CFCDRN CC[C@H](CN1CCCc2cc(OC)cc(OC)c21)OC ZINC000842158688 631555970 /nfs/dbraw/zinc/55/59/70/631555970.db2.gz YTAPMRIKOUKQDF-CYBMUJFWSA-N 0 0 279.380 2.881 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000104815028 631662799 /nfs/dbraw/zinc/66/27/99/631662799.db2.gz JUYZOJRKPASURW-MJVIPROJSA-N 0 0 292.379 2.950 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000842727821 631718937 /nfs/dbraw/zinc/71/89/37/631718937.db2.gz VYNAIMDVWJPSGZ-QMMMGPOBSA-N 0 0 274.267 2.681 20 10 CFCDRN COC[C@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000812511631 631728051 /nfs/dbraw/zinc/72/80/51/631728051.db2.gz JMYIMXANQLSKMG-KBPBESRZSA-N 0 0 292.423 2.596 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043879 631812083 /nfs/dbraw/zinc/81/20/83/631812083.db2.gz OOAQPCCFXNUYFH-UHFFFAOYSA-N 0 0 280.799 2.762 20 10 CFCDRN CCC1(C(=O)NCc2cc(OC)ccc2O)CCCC1 ZINC000155979536 650038576 /nfs/dbraw/zinc/03/85/76/650038576.db2.gz DCTZITIQZFSIBX-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN CC(C)CO[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158949 631870206 /nfs/dbraw/zinc/87/02/06/631870206.db2.gz IZYBAFKUAFWELW-LLVKDONJSA-N 0 0 275.352 2.976 20 10 CFCDRN CC(C)(C)n1cc(-c2nc(Cc3ccc(N)cc3)no2)cn1 ZINC000843159485 631871202 /nfs/dbraw/zinc/87/12/02/631871202.db2.gz RAVMUJRUKYWQKP-UHFFFAOYSA-N 0 0 297.362 2.861 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3CC34CCOCC4)n2)cc1 ZINC000843159728 631871419 /nfs/dbraw/zinc/87/14/19/631871419.db2.gz AHUCBWVOSJLGFO-ZDUSSCGKSA-N 0 0 285.347 2.527 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159954 631871568 /nfs/dbraw/zinc/87/15/68/631871568.db2.gz DHTJSFQCMZQJCB-IMSIIYSGSA-N 0 0 273.336 2.729 20 10 CFCDRN C[C@@H]1C[C@@H](c2noc(Cc3ccc(N)cc3)n2)CCO1 ZINC000843195139 631895922 /nfs/dbraw/zinc/89/59/22/631895922.db2.gz YPCVVTBMXFCMPQ-PWSUYJOCSA-N 0 0 273.336 2.525 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(=O)[O-])cc1F ZINC000813354829 631911328 /nfs/dbraw/zinc/91/13/28/631911328.db2.gz IDIKFNUXNLZWGE-NSHDSACASA-N 0 0 282.359 2.625 20 10 CFCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1=O ZINC000843416083 631948799 /nfs/dbraw/zinc/94/87/99/631948799.db2.gz OIALDDKWJZZWPB-GFCCVEGCSA-N 0 0 296.798 2.535 20 10 CFCDRN Oc1ccc(F)cc1CN1CCc2cc(Cl)nnc2C1 ZINC000843419149 631950340 /nfs/dbraw/zinc/95/03/40/631950340.db2.gz VEDNKTFQYGKZSH-UHFFFAOYSA-N 0 0 293.729 2.533 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420638 631950592 /nfs/dbraw/zinc/95/05/92/631950592.db2.gz ABGKYQFZTBGBFZ-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN COC(=O)[C@H](CC(C)(C)C)NCc1cccc(C)c1O ZINC000843423837 631953807 /nfs/dbraw/zinc/95/38/07/631953807.db2.gz RTIHVFOYNQCBCB-ZDUSSCGKSA-N 0 0 279.380 2.768 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=S)NC2CCC2)cc1 ZINC000814192593 632028791 /nfs/dbraw/zinc/02/87/91/632028791.db2.gz ZGQXUQSOZHXTQD-UHFFFAOYSA-N 0 0 277.437 2.611 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCC1 ZINC000843851911 632067539 /nfs/dbraw/zinc/06/75/39/632067539.db2.gz ULPCJIGQPZASRJ-UPZNUWHASA-N 0 0 289.375 2.891 20 10 CFCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F ZINC000843959973 632082655 /nfs/dbraw/zinc/08/26/55/632082655.db2.gz LEPGNICWYSKIBA-HYYFJVDXSA-N 0 0 285.290 2.519 20 10 CFCDRN CCCONC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000844082977 632112522 /nfs/dbraw/zinc/11/25/22/632112522.db2.gz OMTPYKBHECVOTP-UHFFFAOYSA-N 0 0 273.336 2.561 20 10 CFCDRN CC(C)COc1ncccc1C(=O)Nc1ccc(N)cc1 ZINC000844162724 632130618 /nfs/dbraw/zinc/13/06/18/632130618.db2.gz NIZSPKJXYICYSV-UHFFFAOYSA-N 0 0 285.347 2.951 20 10 CFCDRN CCOc1ccc(N(C)Cc2cc3n(n2)CCC3)cc1 ZINC000844300153 632162180 /nfs/dbraw/zinc/16/21/80/632162180.db2.gz XAEKRNFSLBUIQP-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000844352868 632176639 /nfs/dbraw/zinc/17/66/39/632176639.db2.gz AQNQJRBVEATGGS-ZDUSSCGKSA-N 0 0 276.380 2.532 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000844353724 632177771 /nfs/dbraw/zinc/17/77/71/632177771.db2.gz XMISQWAQUDJFNN-ZIAGYGMSSA-N 0 0 290.407 2.636 20 10 CFCDRN COc1ccc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000844353378 632178149 /nfs/dbraw/zinc/17/81/49/632178149.db2.gz UTXMIDRPHFYTAS-UHFFFAOYSA-N 0 0 298.346 2.720 20 10 CFCDRN CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N(C)CC)cc1 ZINC000815107087 632203543 /nfs/dbraw/zinc/20/35/43/632203543.db2.gz JXHGNUAUNKKNEB-CQSZACIVSA-N 0 0 292.423 2.916 20 10 CFCDRN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815160401 632220038 /nfs/dbraw/zinc/22/00/38/632220038.db2.gz ZBOLLRNKUYPMQU-OTYXRUKQSA-N 0 0 287.762 2.825 20 10 CFCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1F ZINC000844659639 632276291 /nfs/dbraw/zinc/27/62/91/632276291.db2.gz HPRWSXRUIJXHQP-JTQLQIEISA-N 0 0 275.345 2.852 20 10 CFCDRN C[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583185 632292424 /nfs/dbraw/zinc/29/24/24/632292424.db2.gz YWGNHAGKMFMJKO-BDAKNGLRSA-N 0 0 277.286 2.833 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCCC1 ZINC000844776149 632304897 /nfs/dbraw/zinc/30/48/97/632304897.db2.gz FHAPFXLHJADULX-UHFFFAOYSA-N 0 0 268.744 2.787 20 10 CFCDRN CC(C)(C)C(C)(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000815835730 632325212 /nfs/dbraw/zinc/32/52/12/632325212.db2.gz CXFBZTRJZHXGSM-UHFFFAOYSA-N 0 0 265.353 2.786 20 10 CFCDRN COc1cc(Cl)cc(C(=O)NCc2ccccc2O)c1 ZINC000815833505 632325250 /nfs/dbraw/zinc/32/52/50/632325250.db2.gz QHCPJKAERSOWJJ-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN COc1cccc(CNC(=O)CCc2ccccc2C)c1O ZINC000105650398 632325867 /nfs/dbraw/zinc/32/58/67/632325867.db2.gz MCSFCGRJBJTDMQ-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000844933417 632341338 /nfs/dbraw/zinc/34/13/38/632341338.db2.gz FNTZOQMRZCCJJY-RDDDGLTNSA-N 0 0 287.718 2.622 20 10 CFCDRN CN(C)c1ccc(/C=C\C[N@@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844939669 632342634 /nfs/dbraw/zinc/34/26/34/632342634.db2.gz PKLQQLITYDSBRD-ARJAWSKDSA-N 0 0 288.391 2.562 20 10 CFCDRN CS[C@@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845067698 632365373 /nfs/dbraw/zinc/36/53/73/632365373.db2.gz GUORDQXFKNCATQ-QMMMGPOBSA-N 0 0 288.800 2.596 20 10 CFCDRN CS[C@H](C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845067697 632365777 /nfs/dbraw/zinc/36/57/77/632365777.db2.gz GUORDQXFKNCATQ-MRVPVSSYSA-N 0 0 288.800 2.596 20 10 CFCDRN C[C@@H](NC(=O)c1cc(F)c[nH]1)c1ccc(N(C)C)cc1 ZINC000816180343 632388216 /nfs/dbraw/zinc/38/82/16/632388216.db2.gz MFIWDRZNLXVCBV-SNVBAGLBSA-N 0 0 275.327 2.711 20 10 CFCDRN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816517201 632477048 /nfs/dbraw/zinc/47/70/48/632477048.db2.gz IEJXZUGSSJCDCQ-GOSISDBHSA-N 0 0 299.370 2.930 20 10 CFCDRN COCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544962 632480730 /nfs/dbraw/zinc/48/07/30/632480730.db2.gz YMQBEFBUYWBDMZ-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN O=C1CN(Cc2ccc3ccccc3c2O)CN1CC1CC1 ZINC000816594485 632492136 /nfs/dbraw/zinc/49/21/36/632492136.db2.gz FMGYCNQOWYUJJF-UHFFFAOYSA-N 0 0 296.370 2.557 20 10 CFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816608050 632492734 /nfs/dbraw/zinc/49/27/34/632492734.db2.gz NPLQLTQNGXBTOT-AOOOYVTPSA-N 0 0 273.735 2.794 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H]3C[C@@H]32)cc1 ZINC000816899635 632532086 /nfs/dbraw/zinc/53/20/86/632532086.db2.gz XMQWPUXXYGFSOA-DLBZAZTESA-N 0 0 296.370 2.707 20 10 CFCDRN COc1ccc(N(C)Cc2nn(C)cc2Cl)c(OC)c1 ZINC000817276303 632591565 /nfs/dbraw/zinc/59/15/65/632591565.db2.gz YPLOUHNEAYZFKY-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN Cn1ncc(/C=C2/c3cccc4c3N(CCC4)C2=O)c1Cl ZINC000817345989 632610709 /nfs/dbraw/zinc/61/07/09/632610709.db2.gz OJFBDTQNEGIJOR-JYRVWZFOSA-N 0 0 299.761 2.907 20 10 CFCDRN COCc1cnc(CN(C)c2ccc(OC)cc2)s1 ZINC000845999232 632610770 /nfs/dbraw/zinc/61/07/70/632610770.db2.gz TXBXDTCCCKRLLF-UHFFFAOYSA-N 0 0 278.377 2.935 20 10 CFCDRN COc1ccc(N(C)Cc2cnc([C@H](C)O)s2)cc1 ZINC000845998014 632610936 /nfs/dbraw/zinc/61/09/36/632610936.db2.gz IPVKYFHRKRCFEP-JTQLQIEISA-N 0 0 278.377 2.841 20 10 CFCDRN CC(C)CCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845999095 632611204 /nfs/dbraw/zinc/61/12/04/632611204.db2.gz RODHJJQLIXYNCR-UHFFFAOYSA-N 0 0 291.800 2.511 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000817414557 632625503 /nfs/dbraw/zinc/62/55/03/632625503.db2.gz LLEMKXQIXHHPJU-LDYMZIIASA-N 0 0 273.735 2.530 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)CC2(F)F)cc1F ZINC000817430338 632632551 /nfs/dbraw/zinc/63/25/51/632632551.db2.gz FOGRYEPJHUGMKL-CYBMUJFWSA-N 0 0 286.297 2.553 20 10 CFCDRN COc1cccc([C@H](C)N[C@H](C)c2csnn2)c1O ZINC000846174848 632653629 /nfs/dbraw/zinc/65/36/29/632653629.db2.gz UUIQJXGYAZVSMG-DTWKUNHWSA-N 0 0 279.365 2.664 20 10 CFCDRN COc1cccc([C@@H](C)N[C@H](C)c2csnn2)c1O ZINC000846174850 632654185 /nfs/dbraw/zinc/65/41/85/632654185.db2.gz UUIQJXGYAZVSMG-RKDXNWHRSA-N 0 0 279.365 2.664 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@@H]1CC12CC2 ZINC000817534445 632658137 /nfs/dbraw/zinc/65/81/37/632658137.db2.gz XHTXYMKITOVUHT-VIFPVBQESA-N 0 0 268.407 2.542 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000846206427 632659666 /nfs/dbraw/zinc/65/96/66/632659666.db2.gz YRUDVNQITKORTE-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000846273271 632679236 /nfs/dbraw/zinc/67/92/36/632679236.db2.gz VDHZWEXSCQHEED-KRWDZBQOSA-N 0 0 290.407 2.748 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])ccc1N(C)C ZINC000846273623 632679834 /nfs/dbraw/zinc/67/98/34/632679834.db2.gz ZRFXNPNNPZHFFS-MRXNPFEDSA-N 0 0 276.380 2.500 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846295986 632686130 /nfs/dbraw/zinc/68/61/30/632686130.db2.gz DGFYVLZSGBFTIQ-HUUCEWRRSA-N 0 0 258.365 2.711 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cncn3C)cc12 ZINC000817762822 632709431 /nfs/dbraw/zinc/70/94/31/632709431.db2.gz VLQPWARQOJSCAE-UHFFFAOYSA-N 0 0 283.331 2.748 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C2CCCC2)C1 ZINC000817766035 632709567 /nfs/dbraw/zinc/70/95/67/632709567.db2.gz LNAIVPDHILGYBU-NSHDSACASA-N 0 0 293.338 2.889 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCc2c1c(F)ccc2F ZINC000817821328 632714120 /nfs/dbraw/zinc/71/41/20/632714120.db2.gz RWZREXFUTSAQEG-UHFFFAOYSA-N 0 0 291.253 2.579 20 10 CFCDRN CCCCO[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473584 632715072 /nfs/dbraw/zinc/71/50/72/632715072.db2.gz UFXVJORTOFZPMR-SNVBAGLBSA-N 0 0 285.771 2.867 20 10 CFCDRN CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473633 632715539 /nfs/dbraw/zinc/71/55/39/632715539.db2.gz VDJMNTCBBDARBQ-ZDUSSCGKSA-N 0 0 296.798 2.536 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475715 632716708 /nfs/dbraw/zinc/71/67/08/632716708.db2.gz GORJWJQCZZXZMX-ZDUSSCGKSA-N 0 0 285.771 2.723 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC000817881994 632717589 /nfs/dbraw/zinc/71/75/89/632717589.db2.gz SYTUKONOHQFOHR-YGRLFVJLSA-N 0 0 277.364 2.552 20 10 CFCDRN O=C(CCC1CC1)NCc1cc(Cl)ccc1O ZINC000846477894 632717913 /nfs/dbraw/zinc/71/79/13/632717913.db2.gz WXEVGWDAFMRXPW-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN O=C(C[C@H]1CCCCO1)NCc1cc(Cl)ccc1O ZINC000846478086 632718222 /nfs/dbraw/zinc/71/82/22/632718222.db2.gz ZJQXMIWBGWEVPN-GFCCVEGCSA-N 0 0 283.755 2.621 20 10 CFCDRN CC(C)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817903807 632727097 /nfs/dbraw/zinc/72/70/97/632727097.db2.gz LJBXPRXZLGZVEZ-UHFFFAOYSA-N 0 0 289.404 2.797 20 10 CFCDRN CC(C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905634 632727682 /nfs/dbraw/zinc/72/76/82/632727682.db2.gz QQEIVKOTPGPBTI-UHFFFAOYSA-N 0 0 289.404 2.702 20 10 CFCDRN C[NH2+]CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817952438 632752496 /nfs/dbraw/zinc/75/24/96/632752496.db2.gz PTRGKZXITCLPNB-ZETCQYMHSA-N 0 0 263.168 2.569 20 10 CFCDRN C[C@]1(CCNC(=O)Cc2ccc(N)cc2)C[C@]1(F)Cl ZINC000846687996 632774278 /nfs/dbraw/zinc/77/42/78/632774278.db2.gz QFGXNTLTDINAEM-UONOGXRCSA-N 0 0 284.762 2.632 20 10 CFCDRN CN(C[C@H]1COCCO1)c1ccc(-c2nccs2)cc1 ZINC000846991655 632871941 /nfs/dbraw/zinc/87/19/41/632871941.db2.gz GLHPCEYTFBZKPB-AWEZNQCLSA-N 0 0 290.388 2.662 20 10 CFCDRN CCN(C)C(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846994342 632873222 /nfs/dbraw/zinc/87/32/22/632873222.db2.gz VMVCPRCEMDWQTM-UHFFFAOYSA-N 0 0 289.404 2.725 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cccc(C)c1O)C(=O)[O-] ZINC000818630018 632884427 /nfs/dbraw/zinc/88/44/27/632884427.db2.gz XVCFZRTWJGPCIA-UHFFFAOYSA-N 0 0 265.353 2.681 20 10 CFCDRN Cc1cc(CC(=O)NCCF)c(C)n1-c1ccccc1 ZINC000847048387 632903183 /nfs/dbraw/zinc/90/31/83/632903183.db2.gz YEMUVCMLQWAWTB-UHFFFAOYSA-N 0 0 274.339 2.722 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@](C)(CC)CO)cc1 ZINC000847356929 632977594 /nfs/dbraw/zinc/97/75/94/632977594.db2.gz KNFXUZFNEYJYLR-QGZVFWFLSA-N 0 0 292.423 2.558 20 10 CFCDRN COC[C@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000819395477 633146053 /nfs/dbraw/zinc/14/60/53/633146053.db2.gz MNXUOYJJOJDCBP-MRXNPFEDSA-N 0 0 272.348 2.849 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)CSC ZINC000819399754 633148694 /nfs/dbraw/zinc/14/86/94/633148694.db2.gz WRFQSUGABBSMSW-LLVKDONJSA-N 0 0 255.383 2.611 20 10 CFCDRN C[C@H](NC(=O)/C=C/[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000819501776 633186864 /nfs/dbraw/zinc/18/68/64/633186864.db2.gz KWGLPAOOEQHSKR-GCDKBMORSA-N 0 0 288.391 2.665 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000819519872 633199720 /nfs/dbraw/zinc/19/97/20/633199720.db2.gz CDZNBRFACSKVSU-SMDDNHRTSA-N 0 0 277.364 2.843 20 10 CFCDRN Oc1ccccc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848570833 633292878 /nfs/dbraw/zinc/29/28/78/633292878.db2.gz BWIXEAPCEUOFBG-AAEUAGOBSA-N 0 0 289.297 2.982 20 10 CFCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 ZINC000848595049 633297515 /nfs/dbraw/zinc/29/75/15/633297515.db2.gz RPIDYOYRKHYVIA-UONOGXRCSA-N 0 0 277.368 2.738 20 10 CFCDRN CCc1cccc(C[N@@H+](C)Cc2cnn(CC)c2)c1O ZINC000848887171 633362038 /nfs/dbraw/zinc/36/20/38/633362038.db2.gz PHGUTELDNMNEJH-UHFFFAOYSA-N 0 0 273.380 2.803 20 10 CFCDRN CCc1cccc(CNCc2nnc(C3CC3)s2)c1O ZINC000848918085 633401621 /nfs/dbraw/zinc/40/16/21/633401621.db2.gz PDMFOQVCRJCAFX-UHFFFAOYSA-N 0 0 289.404 2.973 20 10 CFCDRN Cc1ccc(O)c(CN[C@H](C)C(=O)OCc2ccccc2)c1 ZINC000848920518 633402663 /nfs/dbraw/zinc/40/26/63/633402663.db2.gz HTXFXUZLOUTFOJ-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)ccc1O)N1CCCCCC1 ZINC000849049944 633480707 /nfs/dbraw/zinc/48/07/07/633480707.db2.gz WBCBAPGXAOYKCR-UHFFFAOYSA-N 0 0 281.787 2.946 20 10 CFCDRN Cc1ncccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000108255551 633486271 /nfs/dbraw/zinc/48/62/71/633486271.db2.gz DJQNVROBXCXSOR-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN CCN1C(=O)/C(=C/c2c(C3CC3)cnn2C)SC1=S ZINC000849240896 633588025 /nfs/dbraw/zinc/58/80/25/633588025.db2.gz XPQYCSZJDMXHRZ-WDZFZDKYSA-N 0 0 293.417 2.519 20 10 CFCDRN Cn1c(NCc2c(O)cccc2Cl)nnc1C1CC1 ZINC000849347067 633624909 /nfs/dbraw/zinc/62/49/09/633624909.db2.gz PKXQXKCORBNFGA-UHFFFAOYSA-N 0 0 278.743 2.664 20 10 CFCDRN Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(F)c1[O-] ZINC000849351844 633626973 /nfs/dbraw/zinc/62/69/73/633626973.db2.gz CNJFZURJLBBTTA-HNNXBMFYSA-N 0 0 272.323 2.891 20 10 CFCDRN CO[C@H](COC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000849727503 633691531 /nfs/dbraw/zinc/69/15/31/633691531.db2.gz DWRFFKOMXQWIKI-LLVKDONJSA-N 0 0 270.350 2.816 20 10 CFCDRN CC1(C)C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CO1 ZINC000850342388 633946801 /nfs/dbraw/zinc/94/68/01/633946801.db2.gz QZBUGMJQVMYVLO-MRVPVSSYSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H]1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)c2ncnn21 ZINC000850352627 633951604 /nfs/dbraw/zinc/95/16/04/633951604.db2.gz CMPOPXQULJQYGF-LVQRLBQTSA-N 0 0 297.406 2.653 20 10 CFCDRN C[C@@H]([NH2+]C/C=C/CO)c1cccc(C(F)(F)F)c1[O-] ZINC000850509076 634024108 /nfs/dbraw/zinc/02/41/08/634024108.db2.gz PBJQXBAPFDWJCN-GKQMSVHHSA-N 0 0 275.270 2.610 20 10 CFCDRN CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000850528658 634035693 /nfs/dbraw/zinc/03/56/93/634035693.db2.gz JLLHWWKNPICNFJ-SKDRFNHKSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000850546747 634047881 /nfs/dbraw/zinc/04/78/81/634047881.db2.gz OPALJZRIIMSXAQ-AQUOVQTQSA-N 0 0 283.318 2.625 20 10 CFCDRN CC[C@@H](NCc1ncccn1)c1ccc(N(C)C)cc1 ZINC000850552165 634050944 /nfs/dbraw/zinc/05/09/44/634050944.db2.gz MISGYBQFHVGKOU-OAHLLOKOSA-N 0 0 270.380 2.784 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2=CCCC2)c1 ZINC000850558519 634052031 /nfs/dbraw/zinc/05/20/31/634052031.db2.gz YVJGYUVZHGCISY-NSHDSACASA-N 0 0 275.348 2.940 20 10 CFCDRN COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nccn2C)c1 ZINC000850572822 634056823 /nfs/dbraw/zinc/05/68/23/634056823.db2.gz PMQDZXVJHDHOJS-WDEREUQCSA-N 0 0 275.352 2.546 20 10 CFCDRN COCc1noc(-c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000109600940 634130665 /nfs/dbraw/zinc/13/06/65/634130665.db2.gz CJCGNPKQJXKBMN-UHFFFAOYSA-N 0 0 284.319 2.686 20 10 CFCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@](C)(C(F)F)O1 ZINC000853321251 634967648 /nfs/dbraw/zinc/96/76/48/634967648.db2.gz MCKDTNCFRWFCPL-XPTSAGLGSA-N 0 0 299.321 2.545 20 10 CFCDRN Oc1ccc2c(c1CNc1cc(F)ncn1)CCCC2 ZINC000853382748 634989107 /nfs/dbraw/zinc/98/91/07/634989107.db2.gz HZNDFDDPIRHFSB-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN C[C@@H](Nc1cnc(F)cn1)c1ccc(N(C)C)cc1 ZINC000853484737 635012959 /nfs/dbraw/zinc/01/29/59/635012959.db2.gz VPIXCCUERMAAPZ-SNVBAGLBSA-N 0 0 260.316 2.855 20 10 CFCDRN CC[C@H](C)CCNC(=O)NCc1cc(OC)ccc1O ZINC000853736451 635089470 /nfs/dbraw/zinc/08/94/70/635089470.db2.gz BNTQCTDLVLTOMK-NSHDSACASA-N 0 0 280.368 2.636 20 10 CFCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]2C[C@@H]2C1 ZINC000853858794 635135715 /nfs/dbraw/zinc/13/57/15/635135715.db2.gz PJEOKPHWTSGKTB-GHMZBOCLSA-N 0 0 297.449 2.677 20 10 CFCDRN Nc1ccc(Cc2noc([C@H]3C[C@H]4C[C@H]4C3)n2)cc1 ZINC000854134992 635222994 /nfs/dbraw/zinc/22/29/94/635222994.db2.gz VNMUWYJNVYJUPC-GDNZZTSVSA-N 0 0 255.321 2.756 20 10 CFCDRN Cc1cc(O)c(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)cc1C ZINC000854247701 635271782 /nfs/dbraw/zinc/27/17/82/635271782.db2.gz GRYISXSZUYMKDC-CQSZACIVSA-N 0 0 277.364 2.600 20 10 CFCDRN C[C@H]1CCC(C)(C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854898016 635417481 /nfs/dbraw/zinc/41/74/81/635417481.db2.gz MYQSIBDXNMDSDM-XOIDGJRKSA-N 0 0 275.348 2.901 20 10 CFCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)C1(CO)CCCC1 ZINC000855039528 635448559 /nfs/dbraw/zinc/44/85/59/635448559.db2.gz MSCCZKZCEQYHAW-CYBMUJFWSA-N 0 0 297.420 2.761 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)C(C)=C(C)C)C2)cc1 ZINC000855230726 635490247 /nfs/dbraw/zinc/49/02/47/635490247.db2.gz IQTHBPSHAFLEOE-CQSZACIVSA-N 0 0 288.391 2.746 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)C3=CCCC3)C2)cc1 ZINC000855233820 635490290 /nfs/dbraw/zinc/49/02/90/635490290.db2.gz NJSKDESZXIDDGT-AWEZNQCLSA-N 0 0 286.375 2.500 20 10 CFCDRN C/C=C/C=C/C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855235099 635491237 /nfs/dbraw/zinc/49/12/37/635491237.db2.gz XBQJFWBQDUHYJD-DJKJULSTSA-N 0 0 286.375 2.522 20 10 CFCDRN CC[C@@H](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855390248 635528397 /nfs/dbraw/zinc/52/83/97/635528397.db2.gz NCDXZWYKWDQHDD-OKPNEXGHSA-N 0 0 263.337 2.663 20 10 CFCDRN Cc1ccc(C(=O)NCC[C@]2(C)CC2(F)F)c(O)c1O ZINC000855806601 635657478 /nfs/dbraw/zinc/65/74/78/635657478.db2.gz MPKAVLQUAHRGKZ-CYBMUJFWSA-N 0 0 285.290 2.571 20 10 CFCDRN C[C@]1(CCNC(=O)C2=CC(=O)CS2)CC1(F)F ZINC000855807082 635657586 /nfs/dbraw/zinc/65/75/86/635657586.db2.gz QNQCMXWEEFHGIZ-JTQLQIEISA-N 0 0 261.293 2.619 20 10 CFCDRN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)C1=CC(=O)CS1 ZINC000856266729 635768607 /nfs/dbraw/zinc/76/86/07/635768607.db2.gz JPAAKKOBPCOTNK-IACUBPJLSA-N 0 0 289.331 2.661 20 10 CFCDRN Cc1ncccc1C(=O)NCCCSc1nccs1 ZINC000114375295 635833068 /nfs/dbraw/zinc/83/30/68/635833068.db2.gz ZJXTXSFDLWETBT-UHFFFAOYSA-N 0 0 293.417 2.759 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000114541519 635837431 /nfs/dbraw/zinc/83/74/31/635837431.db2.gz CMNIVKFZRZNLIY-LLVKDONJSA-N 0 0 297.420 2.939 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(F)cc2F)c1 ZINC000114544245 635838716 /nfs/dbraw/zinc/83/87/16/635838716.db2.gz RCUPTVHPGPPCMP-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000114589376 635848066 /nfs/dbraw/zinc/84/80/66/635848066.db2.gz RXJMPVSRTBOJOG-DGCLKSJQSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000114592258 635848515 /nfs/dbraw/zinc/84/85/15/635848515.db2.gz GDVDZRZWUWNDGL-GFCCVEGCSA-N 0 0 290.363 2.556 20 10 CFCDRN CCC(CC)CNC(=O)NCc1cc(OC)ccc1O ZINC000114602377 635864262 /nfs/dbraw/zinc/86/42/62/635864262.db2.gz ZCNUDCXUHFFKSB-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN CC1CC(CNC(=O)NCCCSc2nccs2)C1 ZINC000856877406 635875719 /nfs/dbraw/zinc/87/57/19/635875719.db2.gz BCZKDJRJEFHVPI-UHFFFAOYSA-N 0 0 299.465 2.971 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000857084644 635927464 /nfs/dbraw/zinc/92/74/64/635927464.db2.gz ZTFGKJWGVKQNNI-RISCZKNCSA-N 0 0 296.798 2.707 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnccc1C(F)(F)F ZINC000857471735 635979032 /nfs/dbraw/zinc/97/90/32/635979032.db2.gz JFNCVSGMKVFXDR-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN Cc1cc(CC(=O)N(C)C#N)c(C)n1-c1ccccc1 ZINC000857608974 635993393 /nfs/dbraw/zinc/99/33/93/635993393.db2.gz QEEPHUMMMXNXNM-UHFFFAOYSA-N 0 0 267.332 2.576 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCc3n[nH]cc3C2)c1O ZINC000857876024 636044338 /nfs/dbraw/zinc/04/43/38/636044338.db2.gz KTIYMTQQTMXDCY-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN CCC1(CNC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858271462 636173659 /nfs/dbraw/zinc/17/36/59/636173659.db2.gz FCDZTMKLIFUZSP-UHFFFAOYSA-N 0 0 262.353 2.690 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCCCOC(C)C)c1 ZINC000858358312 636205659 /nfs/dbraw/zinc/20/56/59/636205659.db2.gz CDHKNQVYFYXXFU-UHFFFAOYSA-N 0 0 294.395 2.705 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC2Cc3ccccc3C2)c1 ZINC000858361968 636207801 /nfs/dbraw/zinc/20/78/01/636207801.db2.gz JFOTVMZVWIRCDF-UHFFFAOYSA-N 0 0 296.370 2.667 20 10 CFCDRN C/C=C\CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000858368310 636210108 /nfs/dbraw/zinc/21/01/08/636210108.db2.gz ILLJFSMUCOWRLV-FOQNGQEVSA-N 0 0 261.369 2.689 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC(F)(F)C2)c1 ZINC000858415039 636226220 /nfs/dbraw/zinc/22/62/20/636226220.db2.gz RYIXLCXXSUXIQS-NSHDSACASA-N 0 0 298.333 2.935 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C)c1 ZINC000858422502 636232819 /nfs/dbraw/zinc/23/28/19/636232819.db2.gz MDBWJHARQMKDLO-CHWSQXEVSA-N 0 0 276.380 2.936 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(N3CCCC3=O)cn2)c1 ZINC000158981034 650243341 /nfs/dbraw/zinc/24/33/41/650243341.db2.gz HZIUSRZXKAHWML-UHFFFAOYSA-N 0 0 297.358 2.835 20 10 CFCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000858505489 636276359 /nfs/dbraw/zinc/27/63/59/636276359.db2.gz LCZUUMDVWSNIAY-GXFFZTMASA-N 0 0 293.338 2.834 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000858525407 636282488 /nfs/dbraw/zinc/28/24/88/636282488.db2.gz VZTGREWTBZPTOD-JSGCOSHPSA-N 0 0 274.364 2.546 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000858538499 636286068 /nfs/dbraw/zinc/28/60/68/636286068.db2.gz WPAUZKXDLDAOFB-KWCYVHTRSA-N 0 0 274.364 2.688 20 10 CFCDRN Cc1ccc(C)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000159110869 650247553 /nfs/dbraw/zinc/24/75/53/650247553.db2.gz XNIPRPSJZNRHGV-UHFFFAOYSA-N 0 0 271.316 2.645 20 10 CFCDRN CCC1(CC)CN(Cc2cc(F)ccc2O)CC[S@]1=O ZINC000187554884 650258308 /nfs/dbraw/zinc/25/83/08/650258308.db2.gz NXVSSCPEBNZHPM-HXUWFJFHSA-N 0 0 299.411 2.654 20 10 CFCDRN CCN(CCCCC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000859174339 636487516 /nfs/dbraw/zinc/48/75/16/636487516.db2.gz BAGSBDXJKBSDBG-UHFFFAOYSA-N 0 0 295.379 2.873 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000159716103 650274483 /nfs/dbraw/zinc/27/44/83/650274483.db2.gz AKNZBLWGGRHTTK-INIZCTEOSA-N 0 0 275.392 2.882 20 10 CFCDRN CCC[C@@H](C(=O)OCC(=O)C(C)=O)c1cccc(Cl)c1 ZINC000859804024 636698413 /nfs/dbraw/zinc/69/84/13/636698413.db2.gz VPJZMPVHBBZEDZ-CYBMUJFWSA-N 0 0 296.750 2.925 20 10 CFCDRN CN(C)c1ccc(CNC(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000859963556 636752674 /nfs/dbraw/zinc/75/26/74/636752674.db2.gz RQDDVDHJASZNKI-UHFFFAOYSA-N 0 0 292.423 2.963 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H](C)C(F)(F)F)c1O ZINC000860240945 636835349 /nfs/dbraw/zinc/83/53/49/636835349.db2.gz MRDCIGZYYQVAGI-MRVPVSSYSA-N 0 0 291.269 2.606 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc3cccnc3c2O)CC1(F)F ZINC000862024815 637265975 /nfs/dbraw/zinc/26/59/75/637265975.db2.gz HLDURPCNYLCSGE-CQSZACIVSA-N 0 0 292.285 2.602 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000862025026 637266053 /nfs/dbraw/zinc/26/60/53/637266053.db2.gz LCXSNVVHDWFALJ-WDNDVIMCSA-N 0 0 282.343 2.603 20 10 CFCDRN CC1(C)CC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862025022 637266258 /nfs/dbraw/zinc/26/62/58/637266258.db2.gz LBWQNILBIZVEAF-ZDUSSCGKSA-N 0 0 284.359 2.993 20 10 CFCDRN CCC[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862028149 637267015 /nfs/dbraw/zinc/26/70/15/637267015.db2.gz RLVPXLLJJGAWPT-LLVKDONJSA-N 0 0 272.348 2.993 20 10 CFCDRN CC(C)=C(C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027627 637267038 /nfs/dbraw/zinc/26/70/38/637267038.db2.gz ZCYDUFGMYUOHFJ-UHFFFAOYSA-N 0 0 270.332 2.913 20 10 CFCDRN CC[C@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862228885 637292445 /nfs/dbraw/zinc/29/24/45/637292445.db2.gz ZMHXSBQVVVFNAF-LBPRGKRZSA-N 0 0 284.350 2.642 20 10 CFCDRN CN(Cc1cc[nH]n1)Cc1c(O)cccc1Br ZINC000862242520 637296864 /nfs/dbraw/zinc/29/68/64/637296864.db2.gz IKALUBOJKTZXII-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)c(C)[nH]2)cc1F ZINC000862306840 637319839 /nfs/dbraw/zinc/31/98/39/637319839.db2.gz PTBZPCSFTGUJMY-UHFFFAOYSA-N 0 0 263.316 2.811 20 10 CFCDRN CO[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC[C@@H]1C ZINC000862337698 637324398 /nfs/dbraw/zinc/32/43/98/637324398.db2.gz YPAJHGVLRJALQK-ZBEGNZNMSA-N 0 0 298.377 2.888 20 10 CFCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000188409715 650328607 /nfs/dbraw/zinc/32/86/07/650328607.db2.gz JGEBJUIVLBBZJS-UHFFFAOYSA-N 0 0 289.306 2.902 20 10 CFCDRN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862465579 637392187 /nfs/dbraw/zinc/39/21/87/637392187.db2.gz BFNYQFQDOBVTRZ-JTQLQIEISA-N 0 0 299.729 2.536 20 10 CFCDRN Oc1c(Cl)cccc1CNc1cnn(CCF)c1 ZINC000862483487 637399278 /nfs/dbraw/zinc/39/92/78/637399278.db2.gz OEZUXJMKCABHLK-UHFFFAOYSA-N 0 0 269.707 2.824 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529318 637407158 /nfs/dbraw/zinc/40/71/58/637407158.db2.gz RRDOQPZXFDRKMA-XHDPSFHLSA-N 0 0 299.773 2.779 20 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20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cc3c([nH]2)CCCC3)c1 ZINC000862754320 637478763 /nfs/dbraw/zinc/47/87/63/637478763.db2.gz AEHIGELWFGCUCJ-UHFFFAOYSA-N 0 0 284.359 2.838 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)C(C)(F)F)c1 ZINC000862754544 637479634 /nfs/dbraw/zinc/47/96/34/637479634.db2.gz FXKHEGREGIPYSH-VIFPVBQESA-N 0 0 257.280 2.608 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2CC3(CCC3)C2)c1 ZINC000862755463 637479987 /nfs/dbraw/zinc/47/99/87/637479987.db2.gz SVCNBAZYJKGBBD-UHFFFAOYSA-N 0 0 259.349 2.897 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C)c(C)n2)c1 ZINC000862755327 637479997 /nfs/dbraw/zinc/47/99/97/637479997.db2.gz QVYYTXDFTWKOLV-UHFFFAOYSA-N 0 0 270.332 2.642 20 10 CFCDRN COCc1ccsc1C(=O)NCc1cc(C)ccc1O ZINC000862757326 637481292 /nfs/dbraw/zinc/48/12/92/637481292.db2.gz PHOJBJIMUGIUDD-UHFFFAOYSA-N 0 0 291.372 2.839 20 10 CFCDRN CS[C@H](C)CCC(=O)NCc1cc(C)ccc1O ZINC000862758376 637482136 /nfs/dbraw/zinc/48/21/36/637482136.db2.gz WRTGBFSYTGREOV-LLVKDONJSA-N 0 0 267.394 2.849 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2cc(C)ccc2O)o1 ZINC000862757948 637482341 /nfs/dbraw/zinc/48/23/41/637482341.db2.gz JUWHRJVAXLEBSC-UHFFFAOYSA-N 0 0 259.305 2.840 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CSCC(F)(F)F)c1 ZINC000862758017 637482612 /nfs/dbraw/zinc/48/26/12/637482612.db2.gz LVWTXEBFEQZFIN-UHFFFAOYSA-N 0 0 293.310 2.612 20 10 CFCDRN Cc1cc(CNC(=O)C2(O)CCC2)c(C)n1-c1ccccc1 ZINC000863165628 637577844 /nfs/dbraw/zinc/57/78/44/637577844.db2.gz IIPCKUUPBHISAY-UHFFFAOYSA-N 0 0 298.386 2.625 20 10 CFCDRN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000863652280 637725851 /nfs/dbraw/zinc/72/58/51/637725851.db2.gz QEVKJKXXXSGBBG-GASCZTMLSA-N 0 0 298.789 2.616 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000863738849 637766475 /nfs/dbraw/zinc/76/64/75/637766475.db2.gz FSUQRPXZAGLUFN-JSGCOSHPSA-N 0 0 277.364 2.552 20 10 CFCDRN C[C@H]1CC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864638456 638055567 /nfs/dbraw/zinc/05/55/67/638055567.db2.gz FDJFYSUPGKWYCH-SMDDNHRTSA-N 0 0 272.352 2.800 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2conc2C)cc1 ZINC000864926090 638125283 /nfs/dbraw/zinc/12/52/83/638125283.db2.gz AQFIWAKRFXSSMR-UHFFFAOYSA-N 0 0 287.363 2.759 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865051847 638175132 /nfs/dbraw/zinc/17/51/32/638175132.db2.gz WNKMMVMQAZRZOM-YXCITZCRSA-N 0 0 290.382 2.800 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CC(C)(C)CO2)s1 ZINC000865368899 638289225 /nfs/dbraw/zinc/28/92/25/638289225.db2.gz GBZGSGOSJDCCOR-QMMMGPOBSA-N 0 0 287.406 2.837 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865695915 638519622 /nfs/dbraw/zinc/51/96/22/638519622.db2.gz ORQSMFIXVAIGSI-JTGXEDFTSA-N 0 0 297.757 2.698 20 10 CFCDRN Oc1cccc(Cl)c1CNc1ccn(CCF)n1 ZINC000865837282 638602496 /nfs/dbraw/zinc/60/24/96/638602496.db2.gz JYMKQYCERRWWGK-UHFFFAOYSA-N 0 0 269.707 2.824 20 10 CFCDRN CC/C=C(/F)C(=O)NCc1ccc(N(C)C)cc1C ZINC000865903691 638650891 /nfs/dbraw/zinc/65/08/91/638650891.db2.gz FLEMWZNVFISSQF-MKMNVTDBSA-N 0 0 264.344 2.941 20 10 CFCDRN Oc1cccc2c1CN(c1ncnc3c1CCCCC3)C2 ZINC000866116873 638745373 /nfs/dbraw/zinc/74/53/73/638745373.db2.gz CYYMPJAKHXQWEA-UHFFFAOYSA-N 0 0 281.359 2.971 20 10 CFCDRN Oc1cccc2c1CN(c1ccnc(N3CCCCC3)n1)C2 ZINC000866118008 638746929 /nfs/dbraw/zinc/74/69/29/638746929.db2.gz UIZCTEXFUHAAKS-UHFFFAOYSA-N 0 0 296.374 2.693 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000866489019 638829975 /nfs/dbraw/zinc/82/99/75/638829975.db2.gz BBKVFEQUFXQQKZ-UWJYBYFXSA-N 0 0 289.297 2.975 20 10 CFCDRN Cc1nocc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867503205 638881725 /nfs/dbraw/zinc/88/17/25/638881725.db2.gz HREHCIRGMWYFQR-SNVBAGLBSA-N 0 0 273.336 2.540 20 10 CFCDRN C[C@H](NC(=O)NCCc1ccco1)c1ccccc1O ZINC000867957803 638908849 /nfs/dbraw/zinc/90/88/49/638908849.db2.gz ZHBNVHLNGRUZTM-NSHDSACASA-N 0 0 274.320 2.588 20 10 CFCDRN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000867982328 638910869 /nfs/dbraw/zinc/91/08/69/638910869.db2.gz PFVKBKYUWOBRAM-GHMZBOCLSA-N 0 0 250.342 2.941 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCCCO ZINC000868109021 638923748 /nfs/dbraw/zinc/92/37/48/638923748.db2.gz BNARQMZQJXXXDW-UHFFFAOYSA-N 0 0 279.380 2.684 20 10 CFCDRN CCCC[C@@H](COC)NC(=O)N[C@H](C)c1ccccc1O ZINC000868276585 638933758 /nfs/dbraw/zinc/93/37/58/638933758.db2.gz FMRQKJQLKJIGAT-OLZOCXBDSA-N 0 0 294.395 2.958 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H](C)c1ccncc1)c1ccccc1O ZINC000868340273 638938936 /nfs/dbraw/zinc/93/89/36/638938936.db2.gz SRVQNQYZHFSIBN-CHWSQXEVSA-N 0 0 299.374 2.951 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868399288 638942695 /nfs/dbraw/zinc/94/26/95/638942695.db2.gz CSGBJPCTBCMJQD-AGIUHOORSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)NC(=O)N[C@H](C)c1ccccc1O ZINC000868399291 638942708 /nfs/dbraw/zinc/94/27/08/638942708.db2.gz CSGBJPCTBCMJQD-JHJVBQTASA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000868411818 638943704 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/nfs/dbraw/zinc/96/61/97/638966197.db2.gz SAMWOZLLWDYKMJ-SECBINFHSA-N 0 0 272.295 2.798 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868670508 638968034 /nfs/dbraw/zinc/96/80/34/638968034.db2.gz KYORUSDGJYJWNQ-TUAOUCFPSA-N 0 0 262.353 2.799 20 10 CFCDRN CO[C@H]([C@H](C)NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868681319 638968633 /nfs/dbraw/zinc/96/86/33/638968633.db2.gz GFBFMWDKPYFCQW-JRPNMDOOSA-N 0 0 292.379 2.566 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccccc1O ZINC000868710066 638972012 /nfs/dbraw/zinc/97/20/12/638972012.db2.gz FMJJNWGHYTYPCG-RAIGVLPGSA-N 0 0 286.331 2.902 20 10 CFCDRN CC[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000868718568 638972528 /nfs/dbraw/zinc/97/25/28/638972528.db2.gz ZEGFASOXJDCWDK-FRRDWIJNSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000868812837 638981771 /nfs/dbraw/zinc/98/17/71/638981771.db2.gz MGXONEZLYRRWBX-DXHVMGJMSA-N 0 0 292.379 2.564 20 10 CFCDRN 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O=C(c1csc(C2CC2)n1)N1Cc2cccc(O)c2C1 ZINC000871200796 641242247 /nfs/dbraw/zinc/24/22/47/641242247.db2.gz JEFDSHQZSUKANW-UHFFFAOYSA-N 0 0 286.356 2.882 20 10 CFCDRN CC(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)on1 ZINC000871203352 641243073 /nfs/dbraw/zinc/24/30/73/641243073.db2.gz YHTQJOLOYFKFIZ-UHFFFAOYSA-N 0 0 272.304 2.660 20 10 CFCDRN O=C(Cc1ccc2c(c1)COC2)N1Cc2cccc(O)c2C1 ZINC000871203803 641243111 /nfs/dbraw/zinc/24/31/11/641243111.db2.gz HLTGLBRMMQGMRP-UHFFFAOYSA-N 0 0 295.338 2.507 20 10 CFCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1Cc2cccc(O)c2C1 ZINC000871204076 641243229 /nfs/dbraw/zinc/24/32/29/641243229.db2.gz BJZUBUZECHJJMQ-GMXVVIOVSA-N 0 0 257.333 2.671 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)C12CCC(CC1)C2 ZINC000871203638 641243344 /nfs/dbraw/zinc/24/33/44/641243344.db2.gz DIQZXWPFQOROTM-UHFFFAOYSA-N 0 0 257.333 2.815 20 10 CFCDRN CCc1occc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204941 641243706 /nfs/dbraw/zinc/24/37/06/641243706.db2.gz LSEDAQSGIQWFHE-UHFFFAOYSA-N 0 0 257.289 2.704 20 10 CFCDRN O=C(c1noc2c1CCCCC2)N1Cc2cccc(O)c2C1 ZINC000871205360 641243824 /nfs/dbraw/zinc/24/38/24/641243824.db2.gz ZCMRHXBGEALLAL-UHFFFAOYSA-N 0 0 298.342 2.805 20 10 CFCDRN C[C@@H]1Cc2cccc(C(=O)N3Cc4cccc(O)c4C3)c2O1 ZINC000871205933 641245463 /nfs/dbraw/zinc/24/54/63/641245463.db2.gz ONRRNPXACZWDGT-LLVKDONJSA-N 0 0 295.338 2.872 20 10 CFCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCCCO1 ZINC000871208065 641246621 /nfs/dbraw/zinc/24/66/21/641246621.db2.gz XSGWCMQNDUEZFM-OAHLLOKOSA-N 0 0 289.375 2.830 20 10 CFCDRN CN(C)c1ccc(OCCCS(=O)(=O)C(C)(C)C)cc1 ZINC000871746308 641435958 /nfs/dbraw/zinc/43/59/58/641435958.db2.gz YLEHKKPHWJZCCT-UHFFFAOYSA-N 0 0 299.436 2.735 20 10 CFCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(F)cc1[O-] ZINC000872113814 641644686 /nfs/dbraw/zinc/64/46/86/641644686.db2.gz RARUXSNMPWDIFT-WDEREUQCSA-N 0 0 281.327 2.525 20 10 CFCDRN CCOC1CC2(C[C@H]2c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000872171659 641691124 /nfs/dbraw/zinc/69/11/24/641691124.db2.gz VWANTJQMJOBLFK-UUCFBXCCSA-N 0 0 299.374 2.915 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COc1cc(-c2nc3cc(F)ccc3n2C)cc(O)c1O ZINC000194109189 650717843 /nfs/dbraw/zinc/71/78/43/650717843.db2.gz PXVJOZQBAAEYNE-UHFFFAOYSA-N 0 0 288.278 2.799 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC23CCC3)c1 ZINC000873258947 642104165 /nfs/dbraw/zinc/10/41/65/642104165.db2.gz WOXBMVFUPJPTSE-QMTHXVAHSA-N 0 0 290.363 2.704 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCCCOC)cc1 ZINC000194809977 650729289 /nfs/dbraw/zinc/72/92/89/650729289.db2.gz LINYAUDNYYUWFC-UHFFFAOYSA-N 0 0 292.423 2.966 20 10 CFCDRN CC(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873734847 642290753 /nfs/dbraw/zinc/29/07/53/642290753.db2.gz QKZLMYCIEAWRQF-UHFFFAOYSA-N 0 0 262.313 2.625 20 10 CFCDRN C[C@@H](C1CC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873908888 642305919 /nfs/dbraw/zinc/30/59/19/642305919.db2.gz AEEXYNIRJUBGKW-VIFPVBQESA-N 0 0 274.324 2.720 20 10 CFCDRN CCN(CC)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124803608 642335072 /nfs/dbraw/zinc/33/50/72/642335072.db2.gz VIQFAJVXZCYDAP-LLVKDONJSA-N 0 0 270.804 2.866 20 10 CFCDRN Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000020327111 642359878 /nfs/dbraw/zinc/35/98/78/642359878.db2.gz DYEGTFJVXJODPH-UHFFFAOYSA-N 0 0 265.316 2.931 20 10 CFCDRN Nc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000020327173 642360253 /nfs/dbraw/zinc/36/02/53/642360253.db2.gz GSJMJBGXDCNQMX-UHFFFAOYSA-N 0 0 281.109 2.877 20 10 CFCDRN CN(CC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874292778 642364826 /nfs/dbraw/zinc/36/48/26/642364826.db2.gz RQUBIULGPWOMGB-UHFFFAOYSA-N 0 0 276.340 2.967 20 10 CFCDRN C[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874385872 642375937 /nfs/dbraw/zinc/37/59/37/642375937.db2.gz QZULLEPNXFPHQN-JOYOIKCWSA-N 0 0 274.324 2.767 20 10 CFCDRN CCCCCCOCC(=O)Nc1ccc(N)cc1 ZINC000020507897 642418874 /nfs/dbraw/zinc/41/88/74/642418874.db2.gz JJDIIROBABFNPS-UHFFFAOYSA-N 0 0 250.342 2.804 20 10 CFCDRN C[C@@H](NC(=O)NCCCOCC1CC1)c1ccccc1O ZINC000875021955 642577245 /nfs/dbraw/zinc/57/72/45/642577245.db2.gz YGUQHTYBMXYCHA-GFCCVEGCSA-N 0 0 292.379 2.569 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875102772 642585095 /nfs/dbraw/zinc/58/50/95/642585095.db2.gz ULOHGFATNOFJAN-AAEUAGOBSA-N 0 0 274.364 2.996 20 10 CFCDRN Cc1ccsc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875155116 642592356 /nfs/dbraw/zinc/59/23/56/642592356.db2.gz SNWJZTBTAKPVHM-UHFFFAOYSA-N 0 0 288.372 2.988 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C2CC2)C2CC2)cc1F ZINC000875181549 642594647 /nfs/dbraw/zinc/59/46/47/642594647.db2.gz OBVANHQSFTUXLU-UHFFFAOYSA-N 0 0 291.370 2.728 20 10 CFCDRN CC1(CNC(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000875351938 642611799 /nfs/dbraw/zinc/61/17/99/642611799.db2.gz BEYIDNMJCAHPIM-UHFFFAOYSA-N 0 0 260.337 2.608 20 10 CFCDRN CCON(CC)C(=O)NCCCSc1nccs1 ZINC000875374768 642614885 /nfs/dbraw/zinc/61/48/85/642614885.db2.gz PUDMUWVJBQKXJZ-UHFFFAOYSA-N 0 0 289.426 2.608 20 10 CFCDRN O=C(NCC1(C2CC2)CCC1)N1Cc2cccc(O)c2C1 ZINC000875412965 642619407 /nfs/dbraw/zinc/61/94/07/642619407.db2.gz VUXHDFDCYSAXSF-UHFFFAOYSA-N 0 0 286.375 2.998 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875446823 642623930 /nfs/dbraw/zinc/62/39/30/642623930.db2.gz ISWBSZKYEUMVEI-LBPRGKRZSA-N 0 0 297.358 2.882 20 10 CFCDRN Cc1cnccc1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000875514246 642632904 /nfs/dbraw/zinc/63/29/04/642632904.db2.gz FCKZHLLANJSVLF-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN C[C@@H]1CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875557415 642642331 /nfs/dbraw/zinc/64/23/31/642642331.db2.gz SLZHOSKVLAHJIP-NEPJUHHUSA-N 0 0 274.364 2.854 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875557421 642643122 /nfs/dbraw/zinc/64/31/22/642643122.db2.gz SLZHOSKVLAHJIP-VXGBXAGGSA-N 0 0 274.364 2.854 20 10 CFCDRN CCc1nc(CNC(=O)N[C@H](C)c2ccccc2O)co1 ZINC000875647924 642658655 /nfs/dbraw/zinc/65/86/55/642658655.db2.gz UREZYVKTBXDRHK-SNVBAGLBSA-N 0 0 289.335 2.503 20 10 CFCDRN Cc1cc(C)c(CNC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000875651705 642659710 /nfs/dbraw/zinc/65/97/10/642659710.db2.gz WJZPBWFINIQVFW-UHFFFAOYSA-N 0 0 297.358 2.629 20 10 CFCDRN CCC[C@H](CNC(=O)N1Cc2cccc(O)c2C1)OCC ZINC000875781591 642688557 /nfs/dbraw/zinc/68/85/57/642688557.db2.gz DVKDFFPDTKMBFK-CYBMUJFWSA-N 0 0 292.379 2.623 20 10 CFCDRN C/C=C\CNC(=O)N(CCC)Cc1ccccc1O ZINC000875875257 642704987 /nfs/dbraw/zinc/70/49/87/642704987.db2.gz FVGYQMFFUSTKFE-HYXAFXHYSA-N 0 0 262.353 2.890 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cnn(C)c1)c1cccnc1 ZINC000875883378 642706655 /nfs/dbraw/zinc/70/66/55/642706655.db2.gz VQLIDYQTVIRBNO-FPLPWBNLSA-N 0 0 284.363 2.662 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC12CC2 ZINC000875947341 642723725 /nfs/dbraw/zinc/72/37/25/642723725.db2.gz ORORGMAYVTVPPM-CQSZACIVSA-N 0 0 274.364 2.866 20 10 CFCDRN COc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1O ZINC000086755088 650797387 /nfs/dbraw/zinc/79/73/87/650797387.db2.gz CYSWTJHTVRZTRW-CYBMUJFWSA-N 0 0 293.363 2.620 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1 ZINC000876503884 642895934 /nfs/dbraw/zinc/89/59/34/642895934.db2.gz GOGQSXGBBCMEHJ-SJORKVTESA-N 0 0 296.370 2.998 20 10 CFCDRN Cc1cc(C)c(C(=O)NCCc2ccc(N)cc2)s1 ZINC000876527703 642906065 /nfs/dbraw/zinc/90/60/65/642906065.db2.gz DCCOOMZCKVPSLM-UHFFFAOYSA-N 0 0 274.389 2.920 20 10 CFCDRN Cc1noc(C)c1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876611314 642943854 /nfs/dbraw/zinc/94/38/54/642943854.db2.gz BWTCAGBTWJWTRU-UHFFFAOYSA-N 0 0 282.290 2.907 20 10 CFCDRN CC(C)(C)[N@@H+]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876651476 642958847 /nfs/dbraw/zinc/95/88/47/642958847.db2.gz WYSGDBOSRURAMT-UHFFFAOYSA-N 0 0 298.377 2.977 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc(F)c1F ZINC000876804898 643016435 /nfs/dbraw/zinc/01/64/35/643016435.db2.gz VTLDWOBYARUIMQ-AAEUAGOBSA-N 0 0 283.318 2.671 20 10 CFCDRN COc1ccc(CCN(C)c2ccc(N)cc2)cc1 ZINC000088102752 650808198 /nfs/dbraw/zinc/80/81/98/650808198.db2.gz WGKNLTOBWMRCEQ-UHFFFAOYSA-N 0 0 256.349 2.956 20 10 CFCDRN CN(CCc1ccc2c(c1)CCO2)c1ccc(N)cc1 ZINC000088102753 650808437 /nfs/dbraw/zinc/80/84/37/650808437.db2.gz POWUCDYVZQBWNW-UHFFFAOYSA-N 0 0 268.360 2.883 20 10 CFCDRN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877029831 643110132 /nfs/dbraw/zinc/11/01/32/643110132.db2.gz OZDLBKQDESBEQT-YMTOWFKASA-N 0 0 273.323 2.557 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877029830 643110507 /nfs/dbraw/zinc/11/05/07/643110507.db2.gz OZDLBKQDESBEQT-XPTSAGLGSA-N 0 0 273.323 2.557 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@H]2CCO[C@@H]21 ZINC000877058320 643125332 /nfs/dbraw/zinc/12/53/32/643125332.db2.gz AFVXDAOUOJKUJS-FZQKWOKYSA-N 0 0 283.318 2.574 20 10 CFCDRN CC(C)c1nocc1C(=O)N(C)c1ccc(N)cc1 ZINC000877075028 643137075 /nfs/dbraw/zinc/13/70/75/643137075.db2.gz YRXJEBILLDQZQK-UHFFFAOYSA-N 0 0 259.309 2.657 20 10 CFCDRN CN(C(=O)C(C)(C)c1cccnc1)c1ccc(N)cc1 ZINC000877076096 643138442 /nfs/dbraw/zinc/13/84/42/643138442.db2.gz MATAKQBBUONXGO-UHFFFAOYSA-N 0 0 269.348 2.604 20 10 CFCDRN CC(C)C[C@@H](C(=O)N(C)c1ccc(N)cc1)n1ccnc1 ZINC000877076110 643138700 /nfs/dbraw/zinc/13/87/00/643138700.db2.gz JUSVTFWXVDFVQA-HNNXBMFYSA-N 0 0 286.379 2.716 20 10 CFCDRN CCO[C@@H](CC(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877077529 643139184 /nfs/dbraw/zinc/13/91/84/643139184.db2.gz LXKRKFVEUNJACC-AWEZNQCLSA-N 0 0 264.369 2.683 20 10 CFCDRN CC(C)CCO[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078680 643139190 /nfs/dbraw/zinc/13/91/90/643139190.db2.gz ZIYLLPYCCFTHPD-LBPRGKRZSA-N 0 0 264.369 2.683 20 10 CFCDRN CN(C(=O)CSC[C@H]1CCCCO1)c1ccc(N)cc1 ZINC000877078142 643139608 /nfs/dbraw/zinc/13/96/08/643139608.db2.gz FDSVPHGOZZUDTO-CQSZACIVSA-N 0 0 294.420 2.534 20 10 CFCDRN Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877091575 643147656 /nfs/dbraw/zinc/14/76/56/643147656.db2.gz LIYPCKCACVQNHK-AWEZNQCLSA-N 0 0 293.313 2.802 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCCc3cn[nH]c32)ccc(F)c1F ZINC000877110532 643156391 /nfs/dbraw/zinc/15/63/91/643156391.db2.gz XTYQGUHCVPDPIX-LLVKDONJSA-N 0 0 279.290 2.561 20 10 CFCDRN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877129281 643168009 /nfs/dbraw/zinc/16/80/09/643168009.db2.gz MDDJYBZDLOTNLE-CABZTGNLSA-N 0 0 297.301 2.865 20 10 CFCDRN Cc1cccc(O)c1CNc1cnc2c(c1)COCC2 ZINC000877142450 643174927 /nfs/dbraw/zinc/17/49/27/643174927.db2.gz PWZWTHYNXHKIOK-UHFFFAOYSA-N 0 0 270.332 2.780 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(CCCO)CC2)ccc(F)c1F ZINC000877194560 643198452 /nfs/dbraw/zinc/19/84/52/643198452.db2.gz QHZDKNBHIVMJLX-UHFFFAOYSA-N 0 0 285.334 2.655 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCc2ccccc2C1 ZINC000126401470 643205458 /nfs/dbraw/zinc/20/54/58/643205458.db2.gz MYELNUPUVBOSNS-UHFFFAOYSA-N 0 0 283.327 2.686 20 10 CFCDRN CC[C@@](C)(CN(C)c1ccc(OC)c(OC)c1)OC ZINC000877342350 643243156 /nfs/dbraw/zinc/24/31/56/643243156.db2.gz MFPXGFGWFHRBNI-HNNXBMFYSA-N 0 0 267.369 2.955 20 10 CFCDRN C[C@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000126520753 643277453 /nfs/dbraw/zinc/27/74/53/643277453.db2.gz JIOJJZUYTAOZIE-SECBINFHSA-N 0 0 251.326 2.510 20 10 CFCDRN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487174 643302145 /nfs/dbraw/zinc/30/21/45/643302145.db2.gz VVGTVYBPSRTVRB-ZYHUDNBSSA-N 0 0 285.334 2.796 20 10 CFCDRN Cc1ccc(C[N@H+](CCO)Cc2ccc(F)c(F)c2[O-])o1 ZINC000877492048 643305535 /nfs/dbraw/zinc/30/55/35/643305535.db2.gz FIVZRQPFMZKTGN-UHFFFAOYSA-N 0 0 297.301 2.566 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877497796 643310050 /nfs/dbraw/zinc/31/00/50/643310050.db2.gz BQVAGOBFSNIFMD-RYUDHWBXSA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(C[N@H+]2CCCCC[C@@H]2CCO)ccc(F)c1F ZINC000877507183 643317527 /nfs/dbraw/zinc/31/75/27/643317527.db2.gz MNRLGYXCCIDXIN-GFCCVEGCSA-N 0 0 285.334 2.797 20 10 CFCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877588549 643382859 /nfs/dbraw/zinc/38/28/59/643382859.db2.gz SCLHQXHDWCIVSX-PSLIRLAXSA-N 0 0 285.334 2.964 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605836 643393457 /nfs/dbraw/zinc/39/34/57/643393457.db2.gz KBOHJMTXSNQSRJ-GXSJLCMTSA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1ccc(CNc2ccc3c(c2)CCN(C)C3=O)c(O)c1 ZINC000877627293 643411586 /nfs/dbraw/zinc/41/15/86/643411586.db2.gz PSOJYRDRFSXMQY-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877631750 643416010 /nfs/dbraw/zinc/41/60/10/643416010.db2.gz MXXRQYACVWZPAE-GFCCVEGCSA-N 0 0 298.377 2.880 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000877656021 643435965 /nfs/dbraw/zinc/43/59/65/643435965.db2.gz SZKDGLMGVNZYBJ-UHFFFAOYSA-N 0 0 295.386 2.926 20 10 CFCDRN CCc1cccc(CNc2cncc(OC)c2)c1O ZINC000877664686 643441622 /nfs/dbraw/zinc/44/16/22/643441622.db2.gz VVELJQSRLTULAC-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN CCC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877668396 643444289 /nfs/dbraw/zinc/44/42/89/643444289.db2.gz YSOAOZFLGVZZBX-NSHDSACASA-N 0 0 275.751 2.825 20 10 CFCDRN Cn1cc(CN2Cc3cccc(O)c3C2)c(C(C)(C)C)n1 ZINC000877703113 643468731 /nfs/dbraw/zinc/46/87/31/643468731.db2.gz RVNRSKRSNLJSSO-UHFFFAOYSA-N 0 0 285.391 2.939 20 10 CFCDRN CC(C)n1cc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877702999 643468877 /nfs/dbraw/zinc/46/88/77/643468877.db2.gz NUWQNUINBMVDHU-UHFFFAOYSA-N 0 0 257.337 2.685 20 10 CFCDRN CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC000877707199 643474930 /nfs/dbraw/zinc/47/49/30/643474930.db2.gz ZPTDPKCGJDQQOI-ZDUSSCGKSA-N 0 0 298.789 2.711 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]21 ZINC000877741041 643511607 /nfs/dbraw/zinc/51/16/07/643511607.db2.gz MGEHJIJPRHYAHV-GWCFXTLKSA-N 0 0 298.789 2.711 20 10 CFCDRN COc1ccc(N(C)Cc2nocc2C)cc1F ZINC000878186496 643783340 /nfs/dbraw/zinc/78/33/40/643783340.db2.gz JZTJQXVMBDIHTC-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN CCN(C[C@H]1C[C@@H](OC)C1)c1ccc(OC)c(OC)c1 ZINC000878218610 643797586 /nfs/dbraw/zinc/79/75/86/643797586.db2.gz VFTLZXRZHPOPCY-XBXGTLAGSA-N 0 0 279.380 2.955 20 10 CFCDRN CCN(C#N)CCN(Cc1ccco1)Cc1ccccc1O ZINC000878241383 643804639 /nfs/dbraw/zinc/80/46/39/643804639.db2.gz UGLDPKLEGPSMRC-UHFFFAOYSA-N 0 0 299.374 2.790 20 10 CFCDRN O=c1[nH]c2ccc(NCc3c(O)cccc3Cl)cc2[nH]1 ZINC000127238930 643953559 /nfs/dbraw/zinc/95/35/59/643953559.db2.gz DJUXBPQZXYRORQ-UHFFFAOYSA-N 0 0 289.722 2.827 20 10 CFCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000879208192 644176470 /nfs/dbraw/zinc/17/64/70/644176470.db2.gz UYDLPBFWUDUOHF-GUYCJALGSA-N 0 0 291.391 2.973 20 10 CFCDRN CCC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000128166131 644519648 /nfs/dbraw/zinc/51/96/48/644519648.db2.gz ROLJNMPMPDOMMK-CQSZACIVSA-N 0 0 280.387 2.893 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000248337201 650930687 /nfs/dbraw/zinc/93/06/87/650930687.db2.gz HIFRRWZSAFYVSN-NYMYIZQJSA-N 0 0 275.348 2.624 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1C ZINC000249372840 650958810 /nfs/dbraw/zinc/95/88/10/650958810.db2.gz XGRQYSNGAIQJGE-SCVCMEIPSA-N 0 0 263.337 2.652 20 10 CFCDRN CN(C)c1ccc(Cn2cc([C@@H]3CCCCO3)nn2)cc1 ZINC000881272261 644940541 /nfs/dbraw/zinc/94/05/41/644940541.db2.gz QOFAVUAXXYQEKC-INIZCTEOSA-N 0 0 286.379 2.634 20 10 CFCDRN C[C@@H](NC(=O)NCCCSc1nccs1)C(F)F ZINC000881280822 644942807 /nfs/dbraw/zinc/94/28/07/644942807.db2.gz OZLLUHXHYJVJAY-SSDOTTSWSA-N 0 0 295.380 2.578 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(C(=O)C3CCC3)nn2)cc1 ZINC000881314053 644949878 /nfs/dbraw/zinc/94/98/78/644949878.db2.gz ZNMLBXCPUKWGMX-UHFFFAOYSA-N 0 0 298.390 2.765 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C)c1ccccc1O ZINC000881440704 644975731 /nfs/dbraw/zinc/97/57/31/644975731.db2.gz MBRBXNJOYKGDPP-UVWXRNBGSA-N 0 0 299.374 2.659 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](c2nccs2)C1 ZINC000881701538 645110823 /nfs/dbraw/zinc/11/08/23/645110823.db2.gz PLIUCFJKKIPMKM-QMMMGPOBSA-N 0 0 280.374 2.540 20 10 CFCDRN CCCOc1ccnc(NCc2cc(OC)ccc2O)n1 ZINC000881984882 645168365 /nfs/dbraw/zinc/16/83/65/645168365.db2.gz TYQPQXMKPSIHMM-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC=CC2)c1 ZINC000129382290 645174627 /nfs/dbraw/zinc/17/46/27/645174627.db2.gz GCSZGGXESFCMFL-SNVBAGLBSA-N 0 0 261.321 2.544 20 10 CFCDRN COC(=O)c1cnc(Sc2cc(C3CC3)ncn2)s1 ZINC000882408895 645303583 /nfs/dbraw/zinc/30/35/83/645303583.db2.gz LHOLBJJNYCUABQ-UHFFFAOYSA-N 0 0 293.373 2.748 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC2(CCCCO2)CC1 ZINC000882434640 645312175 /nfs/dbraw/zinc/31/21/75/645312175.db2.gz HMQCOSQDTSHZHY-UHFFFAOYSA-N 0 0 281.377 2.629 20 10 CFCDRN CC(C)c1c[nH]c(CNCc2ccc(N(C)C)cc2)n1 ZINC000882881070 645490185 /nfs/dbraw/zinc/49/01/85/645490185.db2.gz WOYLFWDDPPFFIP-UHFFFAOYSA-N 0 0 272.396 2.889 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000252730868 651021149 /nfs/dbraw/zinc/02/11/49/651021149.db2.gz NFVMOYCHGLWKFS-LLVKDONJSA-N 0 0 268.788 2.572 20 10 CFCDRN C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883003427 645556270 /nfs/dbraw/zinc/55/62/70/645556270.db2.gz PHKOIIOZIUYEBP-MRXNPFEDSA-N 0 0 293.313 2.668 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cnn(CC(F)F)c1 ZINC000883050802 645583447 /nfs/dbraw/zinc/58/34/47/645583447.db2.gz AUWFHZHXLYZOHG-UHFFFAOYSA-N 0 0 289.232 2.744 20 10 CFCDRN CSCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000130958922 645599554 /nfs/dbraw/zinc/59/95/54/645599554.db2.gz NQWLULCJAYIIOJ-UHFFFAOYSA-N 0 0 295.452 2.695 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CCC2)c1 ZINC000130972692 645603304 /nfs/dbraw/zinc/60/33/04/645603304.db2.gz OBFDCBQXZXFXOO-LLVKDONJSA-N 0 0 292.379 2.951 20 10 CFCDRN CCC(O)(CC)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883100945 645604804 /nfs/dbraw/zinc/60/48/04/645604804.db2.gz QRUOWJNGHGTZNA-UHFFFAOYSA-N 0 0 273.323 2.701 20 10 CFCDRN CO[C@](C)([C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000883146331 645624663 /nfs/dbraw/zinc/62/46/63/645624663.db2.gz IZLJRLVWUXHHNS-BJOHPYRUSA-N 0 0 285.334 2.964 20 10 CFCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883146835 645625718 /nfs/dbraw/zinc/62/57/18/645625718.db2.gz ATULSJCIAHMNGO-RYUDHWBXSA-N 0 0 271.307 2.718 20 10 CFCDRN CCCC[C@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152175 645629152 /nfs/dbraw/zinc/62/91/52/645629152.db2.gz MEJYJBDANIDVDM-CQSZACIVSA-N 0 0 273.323 2.701 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000883197194 645657801 /nfs/dbraw/zinc/65/78/01/645657801.db2.gz FRQWCNGPNAWLAC-ABAIWWIYSA-N 0 0 297.345 2.965 20 10 CFCDRN C=C/C=C/CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000883240781 645689466 /nfs/dbraw/zinc/68/94/66/645689466.db2.gz DPKGSKRACJTKLQ-AATRIKPKSA-N 0 0 291.370 2.823 20 10 CFCDRN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1cccc(C)c1 ZINC000131361967 645714049 /nfs/dbraw/zinc/71/40/49/645714049.db2.gz WKOGNIUXBSEHEC-UHFFFAOYSA-N 0 0 298.386 2.657 20 10 CFCDRN Cc1ccc(O)c(CNC2(c3ncccn3)CCC2)c1 ZINC000883306866 645729906 /nfs/dbraw/zinc/72/99/06/645729906.db2.gz GMSNSZKDOYPTHG-UHFFFAOYSA-N 0 0 269.348 2.660 20 10 CFCDRN Oc1cccc2c1[C@@H](NC1(c3ncccn3)CCC1)CC2 ZINC000883311997 645732824 /nfs/dbraw/zinc/73/28/24/645732824.db2.gz QKQBSBLUJISADI-ZDUSSCGKSA-N 0 0 281.359 2.839 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnn1CC ZINC000131734213 645800755 /nfs/dbraw/zinc/80/07/55/645800755.db2.gz JFQVGHOIFKWMLX-UHFFFAOYSA-N 0 0 287.363 2.661 20 10 CFCDRN CCOCc1cc(CN[C@@H](C)C(F)F)ccc1OC ZINC000883406694 645801988 /nfs/dbraw/zinc/80/19/88/645801988.db2.gz YKOAJVKQYNYKGT-JTQLQIEISA-N 0 0 273.323 2.975 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)CC(F)F ZINC000883508993 645865283 /nfs/dbraw/zinc/86/52/83/645865283.db2.gz LIMGRNQAHVEAKM-UHFFFAOYSA-N 0 0 270.323 2.957 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C=CCC2)c1 ZINC000883779880 645968123 /nfs/dbraw/zinc/96/81/23/645968123.db2.gz GPCYWECRZQWJRC-NWDGAFQWSA-N 0 0 290.363 2.727 20 10 CFCDRN C=C/C=C\CCNC(=O)NCc1cc(C)ccc1O ZINC000883830280 645992943 /nfs/dbraw/zinc/99/29/43/645992943.db2.gz HLAIJNRPSJOBPC-PLNGDYQASA-N 0 0 260.337 2.632 20 10 CFCDRN C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133074823 646020824 /nfs/dbraw/zinc/02/08/24/646020824.db2.gz BQZXABNOUMPFRT-LLVKDONJSA-N 0 0 289.206 2.883 20 10 CFCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000133741498 646218654 /nfs/dbraw/zinc/21/86/54/646218654.db2.gz VEEXQHXFVGAQGP-UHFFFAOYSA-N 0 0 289.247 2.821 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2ncccc21 ZINC000133763013 646223927 /nfs/dbraw/zinc/22/39/27/646223927.db2.gz HYTYVWLLVOIYBN-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccn1 ZINC000133915973 646253295 /nfs/dbraw/zinc/25/32/95/646253295.db2.gz YAPADOVEDHGAML-UHFFFAOYSA-N 0 0 294.358 2.780 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc2occc2c1 ZINC000215403108 646378548 /nfs/dbraw/zinc/37/85/48/646378548.db2.gz GNQYZNONZWNPAL-POHAHGRESA-N 0 0 261.327 2.922 20 10 CFCDRN CSCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000134748533 646383362 /nfs/dbraw/zinc/38/33/62/646383362.db2.gz HFQMDMIUZFFGNW-UHFFFAOYSA-N 0 0 290.226 2.916 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ncc(C)o3)C2)cc1 ZINC000884552051 646444089 /nfs/dbraw/zinc/44/40/89/646444089.db2.gz PVSNZRGWDGWVBS-LBPRGKRZSA-N 0 0 273.336 2.682 20 10 CFCDRN COCC(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000135057040 646451268 /nfs/dbraw/zinc/45/12/68/646451268.db2.gz PJZRNJIDJOHJLO-UHFFFAOYSA-N 0 0 288.185 2.669 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2[nH]ccc21 ZINC000135827907 646643526 /nfs/dbraw/zinc/64/35/26/646643526.db2.gz ZSDHXBJSUPMXMX-UHFFFAOYSA-N 0 0 266.300 2.804 20 10 CFCDRN CCc1cnccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000136146317 646744452 /nfs/dbraw/zinc/74/44/52/646744452.db2.gz ZGBOOILWDHKXIN-UHFFFAOYSA-N 0 0 283.375 2.640 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cccnc1[N+](=O)[O-] ZINC000885946824 646778421 /nfs/dbraw/zinc/77/84/21/646778421.db2.gz RTTQGSJJHDFKAF-UHFFFAOYSA-N 0 0 299.330 2.951 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1C[C@]12CCOC2 ZINC000885945999 646778506 /nfs/dbraw/zinc/77/85/06/646778506.db2.gz BEUXCHROHCFHJH-PBHICJAKSA-N 0 0 273.376 2.874 20 10 CFCDRN CCOc1ccc(N(C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000886017225 646819339 /nfs/dbraw/zinc/81/93/39/646819339.db2.gz VASFYAJZOKYHBW-CJNGLKHVSA-N 0 0 261.365 2.948 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCC=CCC1 ZINC000886019905 646822260 /nfs/dbraw/zinc/82/22/60/646822260.db2.gz IJRHAJLBGNOJEL-NTMALXAHSA-N 0 0 287.359 2.974 20 10 CFCDRN Cc1[nH]nc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000886196320 646915193 /nfs/dbraw/zinc/91/51/93/646915193.db2.gz PFAMXBOADCLLMD-UHFFFAOYSA-N 0 0 262.332 2.844 20 10 CFCDRN CCOCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886507248 647023543 /nfs/dbraw/zinc/02/35/43/647023543.db2.gz CFPVVWDHTWWIAY-LLVKDONJSA-N 0 0 255.333 2.999 20 10 CFCDRN Cc1noc(C)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886512235 647024099 /nfs/dbraw/zinc/02/40/99/647024099.db2.gz AAIAPISTHFXIJQ-VIFPVBQESA-N 0 0 264.300 2.987 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886517823 647025657 /nfs/dbraw/zinc/02/56/57/647025657.db2.gz SCICWLVSXVTZSR-GHMZBOCLSA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1c([O-])cccc1F ZINC000886524142 647028356 /nfs/dbraw/zinc/02/83/56/647028356.db2.gz DUDAJFSRWPLMIR-AAEUAGOBSA-N 0 0 278.371 2.666 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000886532281 647032618 /nfs/dbraw/zinc/03/26/18/647032618.db2.gz GTXQPCHDLWVCRC-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886536331 647035064 /nfs/dbraw/zinc/03/50/64/647035064.db2.gz FXZCANFBLWJLCG-GXTWGEPZSA-N 0 0 289.350 2.958 20 10 CFCDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1c([O-])cccc1F ZINC000886537353 647036042 /nfs/dbraw/zinc/03/60/42/647036042.db2.gz YPLHRQQXPVCYQU-RWWNRMGGSA-N 0 0 267.344 2.876 20 10 CFCDRN Cc1cccc(NCC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886551317 647043448 /nfs/dbraw/zinc/04/34/48/647043448.db2.gz GCLOCTSLCNQJLN-LBPRGKRZSA-N 0 0 289.354 2.997 20 10 CFCDRN COCCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886553692 647045486 /nfs/dbraw/zinc/04/54/86/647045486.db2.gz SYRLIGQGTVAVPQ-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN CCc1nnc([C@H](C)N[C@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558671 647046207 /nfs/dbraw/zinc/04/62/07/647046207.db2.gz PIIQBCAHVDRQNB-BDAKNGLRSA-N 0 0 278.331 2.624 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561978 647047675 /nfs/dbraw/zinc/04/76/75/647047675.db2.gz NWZYITCZQXIEJU-JTNHKYCSSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCOCC1)c1c([O-])cccc1F ZINC000886561805 647047770 /nfs/dbraw/zinc/04/77/70/647047770.db2.gz JRHJPOAHKVXBQV-MNOVXSKESA-N 0 0 253.317 2.751 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886572801 647051115 /nfs/dbraw/zinc/05/11/15/647051115.db2.gz ANMCGPBVIDGCGF-XVKPBYJWSA-N 0 0 281.249 2.759 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886587654 647055500 /nfs/dbraw/zinc/05/55/00/647055500.db2.gz CEUDMIZQLRGJEA-WDEREUQCSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)c1ccsc1)c1c([O-])cccc1F ZINC000886591722 647057253 /nfs/dbraw/zinc/05/72/53/647057253.db2.gz AEKKSRPHNZQWMQ-JOYOIKCWSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1c([O-])cccc1F ZINC000886609572 647065106 /nfs/dbraw/zinc/06/51/06/647065106.db2.gz WOWCLJHUXOKGSR-GRYCIOLGSA-N 0 0 267.344 2.855 20 10 CFCDRN COc1ccncc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886613778 647067771 /nfs/dbraw/zinc/06/77/71/647067771.db2.gz FAHSPGVKSRCGFR-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@H]([NH2+]CC1=CCOCC1)c1c([O-])cccc1F ZINC000886617078 647070128 /nfs/dbraw/zinc/07/01/28/647070128.db2.gz CTNCDZXSKJRMBL-JTQLQIEISA-N 0 0 251.301 2.529 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886628703 647076620 /nfs/dbraw/zinc/07/66/20/647076620.db2.gz ZXWWKUQDVNQVHU-VXGBXAGGSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886629350 647076930 /nfs/dbraw/zinc/07/69/30/647076930.db2.gz BPTXSQAOTOJXSA-SDDRHHMPSA-N 0 0 269.360 2.979 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886636249 647080443 /nfs/dbraw/zinc/08/04/43/647080443.db2.gz JFLONOVCNFQHPG-BXUZGUMPSA-N 0 0 297.370 2.624 20 10 CFCDRN Cc1cncc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886638397 647081425 /nfs/dbraw/zinc/08/14/25/647081425.db2.gz SOFLXUYYBRXEGR-NSHDSACASA-N 0 0 275.327 2.523 20 10 CFCDRN Cc1cncc(CC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886638396 647081636 /nfs/dbraw/zinc/08/16/36/647081636.db2.gz SOFLXUYYBRXEGR-LLVKDONJSA-N 0 0 275.327 2.523 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1c([O-])cccc1F ZINC000886644641 647085332 /nfs/dbraw/zinc/08/53/32/647085332.db2.gz HNDFHILTZKOEEY-ZIQQKXEVSA-N 0 0 277.339 2.605 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000886790918 647138381 /nfs/dbraw/zinc/13/83/81/647138381.db2.gz QWWLCKXOBUJYPB-DYEKYZERSA-N 0 0 297.370 2.624 20 10 CFCDRN Cc1ccc([C@H](C)N[C@H](CCO)C(F)(F)F)c(O)c1C ZINC000886802063 647144667 /nfs/dbraw/zinc/14/46/67/647144667.db2.gz YELKLTIGEKVGLZ-CMPLNLGQSA-N 0 0 291.313 2.973 20 10 CFCDRN C[C@H]1C[C@H](CNC(=O)Cc2ccc(N)cc2)C[C@@H](C)C1 ZINC000829131198 647821960 /nfs/dbraw/zinc/82/19/60/647821960.db2.gz JCXRPRMYDVABAQ-NHAGDIPZSA-N 0 0 274.408 3.000 20 10 CFCDRN COC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000925525265 648199686 /nfs/dbraw/zinc/19/96/86/648199686.db2.gz GXTBAESHGUINGQ-GHMZBOCLSA-N 0 0 280.368 2.566 20 10 CFCDRN CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)c1cnn(C)c1 ZINC000926141533 648415084 /nfs/dbraw/zinc/41/50/84/648415084.db2.gz FJDJFWSZNFBVAU-CQSZACIVSA-N 0 0 287.367 2.521 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(F)cc1[O-] ZINC000927062575 648694143 /nfs/dbraw/zinc/69/41/43/648694143.db2.gz YVBUBWZFYVWABA-VGKMCQHDSA-N 0 0 295.354 2.864 20 10 CFCDRN COC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000927095519 648709364 /nfs/dbraw/zinc/70/93/64/648709364.db2.gz BSUUSZKHFCJINO-NEPJUHHUSA-N 0 0 296.367 2.870 20 10 CFCDRN CC(F)(F)CCC(=O)NCc1c(O)cccc1F ZINC000928712356 648942235 /nfs/dbraw/zinc/94/22/35/648942235.db2.gz SAYPIHQCOASWFG-UHFFFAOYSA-N 0 0 261.243 2.583 20 10 CFCDRN CC(C)CCSCC(=O)NCc1c(O)cccc1F ZINC000928712354 648942589 /nfs/dbraw/zinc/94/25/89/648942589.db2.gz SAJWHRJABNKICW-UHFFFAOYSA-N 0 0 285.384 2.927 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC12CCSCC2 ZINC000928706299 648944773 /nfs/dbraw/zinc/94/47/73/648944773.db2.gz QMVCUZIODZLZLF-LLVKDONJSA-N 0 0 295.379 2.681 20 10 CFCDRN CCCc1nc(C)c(C(=O)NCc2c(O)cccc2F)o1 ZINC000928706021 648945010 /nfs/dbraw/zinc/94/50/10/648945010.db2.gz NSACLXJQCBDBBV-UHFFFAOYSA-N 0 0 292.310 2.710 20 10 CFCDRN CCC[C@H]1C[C@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000928709194 648945925 /nfs/dbraw/zinc/94/59/25/648945925.db2.gz YEUNSJMLYVCJTE-NEPJUHHUSA-N 0 0 295.354 2.743 20 10 CFCDRN CC(C)c1[nH]ccc1C(=O)NCc1c(O)cccc1F ZINC000928709217 648945959 /nfs/dbraw/zinc/94/59/59/648945959.db2.gz YVMSVXYPJAIRIS-UHFFFAOYSA-N 0 0 276.311 2.913 20 10 CFCDRN O=C(C[C@H]1C=CCCC1)NCc1c(O)cccc1F ZINC000928708694 648946200 /nfs/dbraw/zinc/94/62/00/648946200.db2.gz QMVDPYPQLPJUGJ-NSHDSACASA-N 0 0 263.312 2.894 20 10 CFCDRN COC/C(C)=C/CN(C)c1ccc(OC)c(OC)c1 ZINC000929347299 649036273 /nfs/dbraw/zinc/03/62/73/649036273.db2.gz HCQZZQWPBRFFRQ-XYOKQWHBSA-N 0 0 265.353 2.733 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC000929401232 649045574 /nfs/dbraw/zinc/04/55/74/649045574.db2.gz CTYLXANTCZIENN-INIZCTEOSA-N 0 0 258.365 2.725 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 ZINC000929913462 649149274 /nfs/dbraw/zinc/14/92/74/649149274.db2.gz MGAYHUJASJUDIX-XOKHGSTOSA-N 0 0 291.391 2.716 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCc2ccccc2)c1 ZINC000035546332 649217553 /nfs/dbraw/zinc/21/75/53/649217553.db2.gz WCEWVOYPZDOWOD-UHFFFAOYSA-N 0 0 272.304 2.633 20 10 CFCDRN COc1ccc(N(CCO[C@H]2CCOC2)CC2CC2)cc1 ZINC000930637904 649294552 /nfs/dbraw/zinc/29/45/52/649294552.db2.gz CQVGYLCXLMCCOH-KRWDZBQOSA-N 0 0 291.391 2.717 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C/c1cn(C)cn1)CC2 ZINC000931153703 649388457 /nfs/dbraw/zinc/38/84/57/649388457.db2.gz KOMDPBDCRGDVPQ-BQYQJAHWSA-N 0 0 281.359 2.585 20 10 CFCDRN COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1F ZINC000074390653 649395379 /nfs/dbraw/zinc/39/53/79/649395379.db2.gz IXMQPASMZMIQBH-POHAHGRESA-N 0 0 283.349 2.665 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cn(C)cn1 ZINC000934102098 649749110 /nfs/dbraw/zinc/74/91/10/649749110.db2.gz DERCBKCCXGRJFS-VUDGCMKMSA-N 0 0 297.358 2.556 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccnn1C1CCC1 ZINC000934708696 649818568 /nfs/dbraw/zinc/81/85/68/649818568.db2.gz SFGKSXUIZAQQTC-UHFFFAOYSA-N 0 0 286.335 2.635 20 10 CFCDRN Cn1cc(CSc2nccs2)c(Br)n1 ZINC000713871290 777857354 /nfs/dbraw/zinc/85/73/54/777857354.db2.gz JDFFENBXCJVZNH-UHFFFAOYSA-N 0 0 290.211 2.931 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(CO)CCCCC2)ccc(F)c1F ZINC000700737994 780718232 /nfs/dbraw/zinc/71/82/32/780718232.db2.gz NCJRAJWOJDNEPJ-UHFFFAOYSA-N 0 0 285.334 2.703 20 10 CFCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494422 781290559 /nfs/dbraw/zinc/29/05/59/781290559.db2.gz JBUOWBGRUUXFAK-WRWORJQWSA-N 0 0 259.321 2.654 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](C2CCC2)C1 ZINC000692936489 769831549 /nfs/dbraw/zinc/83/15/49/769831549.db2.gz YBPLMGOZVLFVRV-GFCCVEGCSA-N 0 0 275.348 2.750 20 10 CFCDRN Cc1cc(C)c(C[NH2+]Cc2cccc(F)c2[O-])cn1 ZINC000397039713 770067262 /nfs/dbraw/zinc/06/72/62/770067262.db2.gz QIFWNRBTZFXJKD-UHFFFAOYSA-N 0 0 260.312 2.833 20 10 CFCDRN FC1(F)CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000398156274 770132709 /nfs/dbraw/zinc/13/27/09/770132709.db2.gz ZWSSNKKAAJVJGB-HNNXBMFYSA-N 0 0 296.361 2.801 20 10 CFCDRN CC(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC001167290473 770220671 /nfs/dbraw/zinc/22/06/71/770220671.db2.gz AGCFJWSQDHIILV-UHFFFAOYSA-N 0 0 298.342 2.589 20 10 CFCDRN COc1cccc(C(=O)NCc2cc(C)ccc2O)c1 ZINC001167291340 770223057 /nfs/dbraw/zinc/22/30/57/770223057.db2.gz ZJLYXSJUKXAWHY-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN COc1ccc(C(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC001167293926 770227403 /nfs/dbraw/zinc/22/74/03/770227403.db2.gz UXKZKCDZKQINJA-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(C3CC3)[nH]c2=O)c1 ZINC001167293599 770227525 /nfs/dbraw/zinc/22/75/25/770227525.db2.gz KVGQHETTWSMNKU-UHFFFAOYSA-N 0 0 298.342 2.609 20 10 CFCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000693161455 770284512 /nfs/dbraw/zinc/28/45/12/770284512.db2.gz BNZOIDATUJUSCV-NSHDSACASA-N 0 0 269.772 2.950 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCc2ncccc2C1 ZINC001140341541 770528621 /nfs/dbraw/zinc/52/86/21/770528621.db2.gz VBQPBTIHSBZEJZ-UHFFFAOYSA-N 0 0 274.751 2.999 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(F)c1 ZINC000588403278 770530981 /nfs/dbraw/zinc/53/09/81/770530981.db2.gz IUCRTCIMKKCPAC-ALCCZGGFSA-N 0 0 287.290 2.567 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2ccccc2[nH]1 ZINC000588403757 770531858 /nfs/dbraw/zinc/53/18/58/770531858.db2.gz NOUWJIPDGFVJFI-VURMDHGXSA-N 0 0 295.298 2.626 20 10 CFCDRN CC(C)n1nccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403603 770532192 /nfs/dbraw/zinc/53/21/92/770532192.db2.gz NAXJCUZRSGVGSS-XQRVVYSFSA-N 0 0 287.319 2.527 20 10 CFCDRN Oc1cccc(Br)c1CNCc1nccs1 ZINC000706869098 770537037 /nfs/dbraw/zinc/53/70/37/770537037.db2.gz ZVSCTDFTIPRNPA-UHFFFAOYSA-N 0 0 299.193 2.901 20 10 CFCDRN CCN(Cc1ccccn1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406863 770538743 /nfs/dbraw/zinc/53/87/43/770538743.db2.gz BKVKIROZDCVWHX-CLFYSBASSA-N 0 0 298.342 2.555 20 10 CFCDRN C[C@@H]1CC[C@H](C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588407726 770548094 /nfs/dbraw/zinc/54/80/94/770548094.db2.gz KCFDYUDSDRYSKP-WHHMNVOESA-N 0 0 261.321 2.510 20 10 CFCDRN C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCS1 ZINC000588407776 770549358 /nfs/dbraw/zinc/54/93/58/770549358.db2.gz QSKSFLVULLNSCT-VOKGJARPSA-N 0 0 293.388 2.513 20 10 CFCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001140461201 770665620 /nfs/dbraw/zinc/66/56/20/770665620.db2.gz HBQXMBOVYIBSGP-AWEZNQCLSA-N 0 0 287.762 2.732 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001140583810 770964470 /nfs/dbraw/zinc/96/44/70/770964470.db2.gz TWZWJGLLDUMVAQ-CYBMUJFWSA-N 0 0 296.361 2.731 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccc[nH]2)c1 ZINC000588549218 773192821 /nfs/dbraw/zinc/19/28/21/773192821.db2.gz JDIGEQMJQGLTFE-UIJKISKDSA-N 0 0 286.331 2.620 20 10 CFCDRN C[NH+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132497 773193765 /nfs/dbraw/zinc/19/37/65/773193765.db2.gz DCIKLSUQPBACCA-UHFFFAOYSA-N 0 0 264.550 2.870 20 10 CFCDRN Cc1c(O)ccc(CN2CC(F)(F)C[C@@]2(C)CF)c1O ZINC001140744454 775394932 /nfs/dbraw/zinc/39/49/32/775394932.db2.gz XWYSKBAKDGEMPP-ZDUSSCGKSA-N 0 0 289.297 2.975 20 10 CFCDRN O=C(NCc1ccccc1O)C1CCC2(CC2)CC1 ZINC000695577368 775875750 /nfs/dbraw/zinc/87/57/50/775875750.db2.gz WGKPZXCUACPKQH-UHFFFAOYSA-N 0 0 259.349 2.979 20 10 CFCDRN Oc1ccc(O)c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001141156890 775963079 /nfs/dbraw/zinc/96/30/79/775963079.db2.gz WPIDOQIYEQIHEA-LBPRGKRZSA-N 0 0 293.260 2.822 20 10 CFCDRN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000297218568 776076843 /nfs/dbraw/zinc/07/68/43/776076843.db2.gz NYBGVQMSFPRGSX-DLBZAZTESA-N 0 0 280.371 2.997 20 10 CFCDRN O=C1OCC[C@H]1OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227487925 776214527 /nfs/dbraw/zinc/21/45/27/776214527.db2.gz BFAMMMINHDUDMI-PFFGMESJSA-N 0 0 299.286 2.897 20 10 CFCDRN CCC[C@@H](CC(=O)OC)Oc1ccc(N(C)C)cc1 ZINC001227939073 776334607 /nfs/dbraw/zinc/33/46/07/776334607.db2.gz KTBNREWPMSMWJX-AWEZNQCLSA-N 0 0 265.353 2.863 20 10 CFCDRN CN(C)c1ccc(O[C@H]2CCCC3(C2)OCCO3)cc1 ZINC001227938918 776334832 /nfs/dbraw/zinc/33/48/32/776334832.db2.gz HHWCOPDZXMTLDJ-HNNXBMFYSA-N 0 0 277.364 2.817 20 10 CFCDRN CCOC(=O)[C@H]1CC[C@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939389 776335389 /nfs/dbraw/zinc/33/53/89/776335389.db2.gz UXLIFIMEMGLGMI-WFASDCNBSA-N 0 0 277.364 2.863 20 10 CFCDRN CNc1ccccc1N[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001167830959 776562351 /nfs/dbraw/zinc/56/23/51/776562351.db2.gz OQXZAQUSABFPSI-HAQNSBGRSA-N 0 0 262.353 2.872 20 10 CFCDRN CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000687215080 776575306 /nfs/dbraw/zinc/57/53/06/776575306.db2.gz RADOTWZUFPFMNA-ONGXEEELSA-N 0 0 271.307 2.670 20 10 CFCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC(C)(C)C ZINC001231452099 777224472 /nfs/dbraw/zinc/22/44/72/777224472.db2.gz DDHCABAVIDYOGZ-UHFFFAOYSA-N 0 0 251.326 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CCC3)CC2)c1 ZINC001231560267 777258754 /nfs/dbraw/zinc/25/87/54/777258754.db2.gz DUKYZJQVEQJWPB-UHFFFAOYSA-N 0 0 275.348 2.857 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231561331 777259710 /nfs/dbraw/zinc/25/97/10/777259710.db2.gz SBDCFVPXAXUIAX-NSHDSACASA-N 0 0 263.337 2.712 20 10 CFCDRN C[C@@H]1CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560750 777260092 /nfs/dbraw/zinc/26/00/92/777260092.db2.gz LMRLCTFNEDOSNQ-LLVKDONJSA-N 0 0 263.337 2.712 20 10 CFCDRN CC[N@H+](Cc1cccnc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565290 777261794 /nfs/dbraw/zinc/26/17/94/777261794.db2.gz RNWIDOIBCVHLOE-UHFFFAOYSA-N 0 0 286.331 2.508 20 10 CFCDRN O=C1CCCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231590285 777270444 /nfs/dbraw/zinc/27/04/44/777270444.db2.gz QGYQLMNWHWBGER-UHFFFAOYSA-N 0 0 255.317 2.710 20 10 CFCDRN COC(C[N@H+](C)Cc1c(O)ccc2ccccc21)OC ZINC001231590467 777271012 /nfs/dbraw/zinc/27/10/12/777271012.db2.gz CLFYVPWMEDCTLH-UHFFFAOYSA-N 0 0 275.348 2.596 20 10 CFCDRN O=C1CCN(Cc2c(O)ccc3ccccc32)C[C@H]1F ZINC001231590316 777271570 /nfs/dbraw/zinc/27/15/70/777271570.db2.gz SUQQKZQBIPAHMN-CQSZACIVSA-N 0 0 273.307 2.658 20 10 CFCDRN Cc1cc(C)c(CN2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001231842972 777346192 /nfs/dbraw/zinc/34/61/92/777346192.db2.gz QZCNZLJNEOXZML-RYUDHWBXSA-N 0 0 255.308 2.891 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1Cc2ccncc2C1 ZINC001231853119 777351922 /nfs/dbraw/zinc/35/19/22/777351922.db2.gz FPRPVKADCCNBEK-UHFFFAOYSA-N 0 0 283.375 2.672 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCC[C@@H]1O ZINC001231909757 777379814 /nfs/dbraw/zinc/37/98/14/777379814.db2.gz IINONVNTTJXBDV-GWCFXTLKSA-N 0 0 269.772 2.638 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCC1=O ZINC001231909939 777380154 /nfs/dbraw/zinc/38/01/54/777380154.db2.gz UASZMFSWVJYXFI-SNVBAGLBSA-N 0 0 267.756 2.847 20 10 CFCDRN COC(=O)CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231910213 777380432 /nfs/dbraw/zinc/38/04/32/777380432.db2.gz KATBAOXMWWDNBB-UHFFFAOYSA-N 0 0 297.782 2.821 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001231909777 777380477 /nfs/dbraw/zinc/38/04/77/777380477.db2.gz PHAULHVFZODBCJ-AWEZNQCLSA-N 0 0 287.762 2.732 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]12 ZINC001231914125 777382204 /nfs/dbraw/zinc/38/22/04/777382204.db2.gz XXXVBLOFWNPHIQ-CMPLNLGQSA-N 0 0 279.767 2.847 20 10 CFCDRN CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914226 777382917 /nfs/dbraw/zinc/38/29/17/777382917.db2.gz IZDSEILBTGOXEY-CYBMUJFWSA-N 0 0 282.815 2.960 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCC([NH+]2CCC2)CC1 ZINC001231914067 777383000 /nfs/dbraw/zinc/38/30/00/777383000.db2.gz XNHMONDMKCRUEG-UHFFFAOYSA-N 0 0 280.799 2.716 20 10 CFCDRN Oc1cc(O)c(CN2CCC[C@@H]2CF)cc1Cl ZINC001232265052 777498149 /nfs/dbraw/zinc/49/81/49/777498149.db2.gz NWXDSDKZJGYSAP-SECBINFHSA-N 0 0 259.708 2.685 20 10 CFCDRN Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257232 777494705 /nfs/dbraw/zinc/49/47/05/777494705.db2.gz AEOLPNKKKPLKMA-AOOOYVTPSA-N 0 0 267.756 2.983 20 10 CFCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)c(O)cc1O ZINC001232264614 777497911 /nfs/dbraw/zinc/49/79/11/777497911.db2.gz DLQYKXKEHJHENR-PHIMTYICSA-N 0 0 295.766 2.837 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC001232268550 777501626 /nfs/dbraw/zinc/50/16/26/777501626.db2.gz OYFOKMLCTYWLGP-JQWIXIFHSA-N 0 0 297.782 2.523 20 10 CFCDRN CCCn1cnc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001232798706 777673501 /nfs/dbraw/zinc/67/35/01/777673501.db2.gz DFNKEBBFLAAJKD-UHFFFAOYSA-N 0 0 286.423 2.991 20 10 CFCDRN Oc1cc(CN2CCC[C@H](C(F)(F)F)C2)cc(O)c1O ZINC001233012270 777763936 /nfs/dbraw/zinc/76/39/36/777763936.db2.gz LAMNCLKYHPLUNT-VIFPVBQESA-N 0 0 291.269 2.578 20 10 CFCDRN [O-]c1cc(Br)cc(F)c1C[NH+]1CCCC1 ZINC001233026965 777769905 /nfs/dbraw/zinc/76/99/05/777769905.db2.gz JNYXLBZWSFWQDU-UHFFFAOYSA-N 0 0 274.133 2.890 20 10 CFCDRN [O-]c1c(C[NH+]2CCC3(CCOC3)CC2)ccc(F)c1F ZINC001233074418 777787189 /nfs/dbraw/zinc/78/71/89/777787189.db2.gz QAJDVSGEXPJOAT-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN [O-]c1c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)ccc(F)c1F ZINC001233076428 777788961 /nfs/dbraw/zinc/78/89/61/777788961.db2.gz NTYMOQNSFXYICC-LBPRGKRZSA-N 0 0 297.345 2.655 20 10 CFCDRN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc(F)c1F ZINC001233076800 777789106 /nfs/dbraw/zinc/78/91/06/777789106.db2.gz VGAIXMPILJHVTF-BDAKNGLRSA-N 0 0 275.245 2.757 20 10 CFCDRN CCOCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078109 777789323 /nfs/dbraw/zinc/78/93/23/777789323.db2.gz FUNWGLSHMWNVKQ-UHFFFAOYSA-N 0 0 285.334 2.919 20 10 CFCDRN COc1cc(Cl)cc(CN2CC(F)(C3CC3)C2)c1O ZINC001233287377 777866324 /nfs/dbraw/zinc/86/63/24/777866324.db2.gz NNXFMQYHCSFIFG-UHFFFAOYSA-N 0 0 285.746 2.988 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001233287906 777869142 /nfs/dbraw/zinc/86/91/42/777869142.db2.gz MSIOIYHXCGEPEO-OAHLLOKOSA-N 0 0 299.798 2.791 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001233290353 777869861 /nfs/dbraw/zinc/86/98/61/777869861.db2.gz YLFOTOZEVLLART-UWJYBYFXSA-N 0 0 285.746 2.987 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)CC[C@]1(C)O ZINC001233332459 777889235 /nfs/dbraw/zinc/88/92/35/777889235.db2.gz LWTRFBYDXMNRTN-BMIGLBTASA-N 0 0 285.334 2.653 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001233332384 777889661 /nfs/dbraw/zinc/88/96/61/777889661.db2.gz JLTGXGCLBFDPST-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CCCC(F)(F)C1 ZINC001233331839 777890311 /nfs/dbraw/zinc/89/03/11/777890311.db2.gz MWIANANHOHDHCR-UHFFFAOYSA-N 0 0 263.234 2.902 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001233332385 777890322 /nfs/dbraw/zinc/89/03/22/777890322.db2.gz JLTGXGCLBFDPST-OAHLLOKOSA-N 0 0 283.318 2.673 20 10 CFCDRN CC1(F)CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331798 777890588 /nfs/dbraw/zinc/89/05/88/777890588.db2.gz LKYSSSSXDMSFSB-UHFFFAOYSA-N 0 0 259.271 2.994 20 10 CFCDRN CCCO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334537 777891929 /nfs/dbraw/zinc/89/19/29/777891929.db2.gz LARYLRUFQLUJQG-SNVBAGLBSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001233335015 777894151 /nfs/dbraw/zinc/89/41/51/777894151.db2.gz DMFRCTGTYNPWLQ-GFCCVEGCSA-N 0 0 275.245 2.902 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(n2cccn2)CC1 ZINC001233335606 777896255 /nfs/dbraw/zinc/89/62/55/777896255.db2.gz CWHPTABDNDKBTK-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN CC1(F)CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416713 777943412 /nfs/dbraw/zinc/94/34/12/777943412.db2.gz SMBPZXYONSIXMR-UHFFFAOYSA-N 0 0 263.234 2.955 20 10 CFCDRN C[N@H+](Cc1cnccn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418489 777943552 /nfs/dbraw/zinc/94/35/52/777943552.db2.gz JEVPGSSEUQUSDJ-UHFFFAOYSA-N 0 0 297.280 2.833 20 10 CFCDRN Oc1c(CN2CCn3nccc3C2)cccc1C(F)(F)F ZINC001233419101 777943647 /nfs/dbraw/zinc/94/36/47/777943647.db2.gz JGAKZPAHCXDFQC-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN Oc1cc(O)c(C[N@H+](Cc2ccco2)C2CC2)cc1O ZINC001233486288 777963228 /nfs/dbraw/zinc/96/32/28/777963228.db2.gz HCUMSCDYJVJQOB-UHFFFAOYSA-N 0 0 275.304 2.561 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1OCC[C@H](C)OC ZINC001233497623 777968731 /nfs/dbraw/zinc/96/87/31/777968731.db2.gz QAGMMZBZHIUKFO-JTQLQIEISA-N 0 0 282.336 2.884 20 10 CFCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1cccnc1 ZINC001233948899 778120043 /nfs/dbraw/zinc/12/00/43/778120043.db2.gz PTYJCPOETDKYKV-SECBINFHSA-N 0 0 283.287 2.576 20 10 CFCDRN O=c1cc2[nH]cnc(OC3CCC(F)(F)CC3)c-2cc1O ZINC001233949990 778120191 /nfs/dbraw/zinc/12/01/91/778120191.db2.gz QFHLDQSLEDIHJH-UHFFFAOYSA-N 0 0 296.273 2.998 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCC1 ZINC000697393716 778204800 /nfs/dbraw/zinc/20/48/00/778204800.db2.gz HWHWPFZBTSCSBE-UHFFFAOYSA-N 0 0 289.206 2.884 20 10 CFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1C[C@H]1F ZINC001126784148 778394337 /nfs/dbraw/zinc/39/43/37/778394337.db2.gz ZFDQWTIZVAWKBV-GHMZBOCLSA-N 0 0 296.305 2.693 20 10 CFCDRN C[C@H]1CC(F)(F)CCN1C(=O)Nc1ccc(N)cc1 ZINC000697625575 778397445 /nfs/dbraw/zinc/39/74/45/778397445.db2.gz XPQFSAZJYUMBRS-VIFPVBQESA-N 0 0 269.295 2.920 20 10 CFCDRN CCOC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520687 778399098 /nfs/dbraw/zinc/39/90/98/778399098.db2.gz NUSDNIQJIWFXGO-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN CC(C)[C@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527449 778402653 /nfs/dbraw/zinc/40/26/53/778402653.db2.gz VAMDGLPHBOODOK-CQSZACIVSA-N 0 0 271.307 2.527 20 10 CFCDRN Cc1nc2c(o1)CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142534439 778403871 /nfs/dbraw/zinc/40/38/71/778403871.db2.gz JRJQMOYCGUPVRJ-UHFFFAOYSA-N 0 0 280.274 2.525 20 10 CFCDRN CC1C[NH+](Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235297552 778448530 /nfs/dbraw/zinc/44/85/30/778448530.db2.gz NFNNILRFOYNFNB-UHFFFAOYSA-N 0 0 274.133 2.746 20 10 CFCDRN Oc1cc(F)cc(F)c1Nc1ccncc1Cl ZINC001212155731 778762241 /nfs/dbraw/zinc/76/22/41/778762241.db2.gz VVCSYHCCEQASRC-UHFFFAOYSA-N 0 0 256.639 2.884 20 10 CFCDRN Cc1cccc(CN2CCO[C@@H](CC(F)(F)F)C2)c1O ZINC000698222261 778768225 /nfs/dbraw/zinc/76/82/25/778768225.db2.gz SBEQAHXEBVLDFG-LBPRGKRZSA-N 0 0 289.297 2.854 20 10 CFCDRN Cc1cc(C)c(CN2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001231845603 778875143 /nfs/dbraw/zinc/87/51/43/778875143.db2.gz CFYSFVCOHNKZSQ-CYBMUJFWSA-N 0 0 289.297 2.772 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2O)CCO1 ZINC001236795023 778941038 /nfs/dbraw/zinc/94/10/38/778941038.db2.gz ZZJFGRMPKBEZKB-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1COC1 ZINC001236795283 778941114 /nfs/dbraw/zinc/94/11/14/778941114.db2.gz BPTMUDUAXSCZPQ-UHFFFAOYSA-N 0 0 276.163 2.777 20 10 CFCDRN COc1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c([O-])c1Cl ZINC001236800606 778942578 /nfs/dbraw/zinc/94/25/78/778942578.db2.gz BCBDRFJAIDAWNB-OAHLLOKOSA-N 0 0 299.798 2.791 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001236807228 778946178 /nfs/dbraw/zinc/94/61/78/778946178.db2.gz DTXYVWHVQBGTSC-SUMWQHHRSA-N 0 0 293.407 2.692 20 10 CFCDRN CCC[N@H+](CCOC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805411 778947191 /nfs/dbraw/zinc/94/71/91/778947191.db2.gz FVFQFYOTBIDYCL-UHFFFAOYSA-N 0 0 287.787 2.913 20 10 CFCDRN CCO[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236808597 778948026 /nfs/dbraw/zinc/94/80/26/778948026.db2.gz PCXAGFBTWXWCJS-SNVBAGLBSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236809649 778949066 /nfs/dbraw/zinc/94/90/66/778949066.db2.gz ZJIJYYNFLJOSQZ-GJZGRUSLSA-N 0 0 285.334 2.981 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236827841 778956904 /nfs/dbraw/zinc/95/69/04/778956904.db2.gz VRAAYYVXIMVEJB-WBMJQRKESA-N 0 0 271.360 2.748 20 10 CFCDRN CCN(CC(=O)OC)Cc1cc2ccccc2cc1O ZINC001236835799 778961104 /nfs/dbraw/zinc/96/11/04/778961104.db2.gz TYDXMOFWEJMJEM-UHFFFAOYSA-N 0 0 273.332 2.540 20 10 CFCDRN 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289.331 2.648 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001237933738 779209174 /nfs/dbraw/zinc/20/91/74/779209174.db2.gz GDLNAVGSIQQVPH-SNVBAGLBSA-N 0 0 273.735 2.532 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001237933466 779209339 /nfs/dbraw/zinc/20/93/39/779209339.db2.gz CDQHXUFGGHBIHL-NXEZZACHSA-N 0 0 265.662 2.677 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CCCC1=O ZINC001237935753 779210977 /nfs/dbraw/zinc/21/09/77/779210977.db2.gz YNTMKKQOHZVYIK-VIFPVBQESA-N 0 0 285.746 2.986 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC001237934573 779211497 /nfs/dbraw/zinc/21/14/97/779211497.db2.gz KZOLHRVHKOAFIU-JTQLQIEISA-N 0 0 273.735 2.532 20 10 CFCDRN CC[C@@]12C[C@@H](CO1)N(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237949871 779214336 /nfs/dbraw/zinc/21/43/36/779214336.db2.gz NSCHDNXJGVLTPD-HZMBPMFUSA-N 0 0 285.746 2.938 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(C(F)F)c2)n1 ZINC001238860046 779405877 /nfs/dbraw/zinc/40/58/77/779405877.db2.gz 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SQEXSHFPNYKMJS-UHFFFAOYSA-N 0 0 282.343 2.653 20 10 CFCDRN COC(=O)[C@H](C)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576451 780267505 /nfs/dbraw/zinc/26/75/05/780267505.db2.gz IAMBWVDOXBQJQQ-LLVKDONJSA-N 0 0 295.342 2.912 20 10 CFCDRN COCCn1cc(-c2cccc3c2cc(C)n3C)cn1 ZINC001240632796 780311828 /nfs/dbraw/zinc/31/18/28/780311828.db2.gz LPTRHRKNDVIHHS-UHFFFAOYSA-N 0 0 269.348 2.997 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cccnc2C)nn1 ZINC001240722904 780391924 /nfs/dbraw/zinc/39/19/24/780391924.db2.gz ZCFSIOZOCNQZMR-UHFFFAOYSA-N 0 0 265.320 2.556 20 10 CFCDRN c1cc(N2CCOCC2)ccc1-c1cnc2c(c1)CCCN2 ZINC001240767862 780428057 /nfs/dbraw/zinc/42/80/57/780428057.db2.gz HXFGSMOCLHYCBK-UHFFFAOYSA-N 0 0 295.386 2.586 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnn(C2COC2)c1 ZINC001240784189 780438064 /nfs/dbraw/zinc/43/80/64/780438064.db2.gz IDAODVVEJWHNOY-UHFFFAOYSA-N 0 0 253.305 2.613 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnn(CC(C)C)c1 ZINC001240875332 780493925 /nfs/dbraw/zinc/49/39/25/780493925.db2.gz HTZODUOENVYCRP-UHFFFAOYSA-N 0 0 299.378 2.597 20 10 CFCDRN COc1ccc(-c2ccn(C)c(=O)c2)c2[nH]ccc21 ZINC001240985458 780573176 /nfs/dbraw/zinc/57/31/76/780573176.db2.gz FEJCLGKRYUVKOQ-UHFFFAOYSA-N 0 0 254.289 2.542 20 10 CFCDRN O=c1cc(-c2ccc[nH]c2=O)ccn1Cc1ccccc1 ZINC001241121552 780649363 /nfs/dbraw/zinc/64/93/63/780649363.db2.gz OQSQWSIBQHJKNP-UHFFFAOYSA-N 0 0 278.311 2.664 20 10 CFCDRN COc1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241338350 780792861 /nfs/dbraw/zinc/79/28/61/780792861.db2.gz MPRXLTDIKWHIJI-UHFFFAOYSA-N 0 0 267.332 2.779 20 10 CFCDRN c1ccc(N2CC=C(c3cnc4n[nH]nc4c3)CC2)cc1 ZINC001241352257 780803619 /nfs/dbraw/zinc/80/36/19/780803619.db2.gz POLPUQCXIHHWCN-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN CN(C)c1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001241372100 780826751 /nfs/dbraw/zinc/82/67/51/780826751.db2.gz CBMBULRZBIOGKX-UHFFFAOYSA-N 0 0 279.343 2.667 20 10 CFCDRN COc1ncc(-c2ccc3ccc(=O)n(C)c3c2)s1 ZINC001241415734 780860349 /nfs/dbraw/zinc/86/03/49/780860349.db2.gz HBIKCKITGUVRCC-UHFFFAOYSA-N 0 0 272.329 2.671 20 10 CFCDRN COc1ccc(-c2ccn(CC(C)C)c(=O)c2)c(OC)n1 ZINC001241579654 780995057 /nfs/dbraw/zinc/99/50/57/780995057.db2.gz VUWNUZMDNUMWOJ-UHFFFAOYSA-N 0 0 288.347 2.584 20 10 CFCDRN Cc1noc(C)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703230375 780999682 /nfs/dbraw/zinc/99/96/82/780999682.db2.gz RHZJVQDEQMTPOS-UHFFFAOYSA-N 0 0 268.263 2.565 20 10 CFCDRN [O-]c1c(C[NH2+]C2CCSCC2)ccc(F)c1F ZINC000703256453 781004765 /nfs/dbraw/zinc/00/47/65/781004765.db2.gz KHLQLVVSSRSRRE-UHFFFAOYSA-N 0 0 259.321 2.656 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCOC1 ZINC000703307423 781007645 /nfs/dbraw/zinc/00/76/45/781007645.db2.gz INSRIJRUMMZQBX-GXSJLCMTSA-N 0 0 271.307 2.575 20 10 CFCDRN CC[NH+](CC)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703491131 781017182 /nfs/dbraw/zinc/01/71/82/781017182.db2.gz PUHRTVOVBWKUDZ-LBPRGKRZSA-N 0 0 284.350 2.587 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@H](C)CO1 ZINC000703541267 781027895 /nfs/dbraw/zinc/02/78/95/781027895.db2.gz MRVFJDSYKMXGOG-MWLCHTKSSA-N 0 0 271.307 2.670 20 10 CFCDRN COC1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000703819607 781065984 /nfs/dbraw/zinc/06/59/84/781065984.db2.gz PHCSVEFHZFLZRE-UHFFFAOYSA-N 0 0 253.317 2.579 20 10 CFCDRN CCOC(=O)c1cnc(S[C@H]2COC(C)(C)C2)s1 ZINC000705564044 781142026 /nfs/dbraw/zinc/14/20/26/781142026.db2.gz KQPHKTXITLIWJE-MRVPVSSYSA-N 0 0 287.406 2.979 20 10 CFCDRN COCCOc1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241823250 781144714 /nfs/dbraw/zinc/14/47/14/781144714.db2.gz LFASCSKVCVEGNY-UHFFFAOYSA-N 0 0 283.331 2.661 20 10 CFCDRN Cn1ccc2c1cccc2-c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001241822198 781144752 /nfs/dbraw/zinc/14/47/52/781144752.db2.gz SSSPHINRKHVHKA-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnn(CC2CC2)c(=O)c1 ZINC001241823744 781146072 /nfs/dbraw/zinc/14/60/72/781146072.db2.gz FIAYSTBPHPQYRR-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN C[C@]12CCCC[C@H]1CN2C(=O)c1cccc(O)c1O ZINC000707195764 781230708 /nfs/dbraw/zinc/23/07/08/781230708.db2.gz DNAVTQZRMVXZGX-BONVTDFDSA-N 0 0 261.321 2.503 20 10 CFCDRN COC[C@]1(C)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708399231 781272982 /nfs/dbraw/zinc/27/29/82/781272982.db2.gz KCLVCCYEIRQYRM-CQSZACIVSA-N 0 0 271.307 2.529 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000708440622 781274997 /nfs/dbraw/zinc/27/49/97/781274997.db2.gz CZKRCJTWHOXHKW-UHFFFAOYSA-N 0 0 285.334 2.845 20 10 CFCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H](C)O1 ZINC000708440565 781275273 /nfs/dbraw/zinc/27/52/73/781275273.db2.gz CPIIHSSUKPCUKJ-BBBLOLIVSA-N 0 0 271.307 2.574 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])nc1 ZINC000708493954 781291455 /nfs/dbraw/zinc/29/14/55/781291455.db2.gz AMLIGFHXSFBMPU-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708554496 781292458 /nfs/dbraw/zinc/29/24/58/781292458.db2.gz HXRJICUJRAGYRB-JTQLQIEISA-N 0 0 278.302 2.786 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC1SCCS1 ZINC000708517417 781292939 /nfs/dbraw/zinc/29/29/39/781292939.db2.gz ORDITEKJVGAJTL-UHFFFAOYSA-N 0 0 291.388 2.956 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708536257 781292960 /nfs/dbraw/zinc/29/29/60/781292960.db2.gz XBSVTHNMXCLIRG-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@H]1CC([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000708556836 781293905 /nfs/dbraw/zinc/29/39/05/781293905.db2.gz YMTYYKVJONZPOY-IUCAKERBSA-N 0 0 271.307 2.716 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000710647122 781346220 /nfs/dbraw/zinc/34/62/20/781346220.db2.gz XRZJJVQLBIMAQL-SUNKGSAMSA-N 0 0 259.353 2.827 20 10 CFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711492956 781445352 /nfs/dbraw/zinc/44/53/52/781445352.db2.gz WEEKPVLQSGNMLR-SECBINFHSA-N 0 0 288.160 2.946 20 10 CFCDRN COC(C)(C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000711862958 781480218 /nfs/dbraw/zinc/48/02/18/781480218.db2.gz OTEBZSYETSUSAP-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN O=c1cc(-c2ccc(OC(F)F)nc2)ccn1CC1CC1 ZINC001242421096 781487885 /nfs/dbraw/zinc/48/78/85/781487885.db2.gz BTGCAWDNORNWEI-UHFFFAOYSA-N 0 0 292.285 2.922 20 10 CFCDRN C[C@H](NC(=O)NC/C=C/C1CC1)c1ccccc1O ZINC001119037930 781744592 /nfs/dbraw/zinc/74/45/92/781744592.db2.gz OQBRYEIBRVTBOB-ZWNMCFTASA-N 0 0 260.337 2.719 20 10 CFCDRN Cn1ccc2c1ncnc2-c1ccc(OC(F)(F)F)nc1 ZINC001242775663 781755554 /nfs/dbraw/zinc/75/55/54/781755554.db2.gz NWJWSTXLHNZJKJ-UHFFFAOYSA-N 0 0 294.236 2.929 20 10 CFCDRN CCOc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1 ZINC001119310811 781758803 /nfs/dbraw/zinc/75/88/03/781758803.db2.gz UYUBFPAEXALPQZ-UHFFFAOYSA-N 0 0 274.368 2.894 20 10 CFCDRN CCc1[nH]nc2ncc(-c3ccn(CC4CC4)c(=O)c3)cc12 ZINC001242824474 781781526 /nfs/dbraw/zinc/78/15/26/781781526.db2.gz GBAVUUGDBMZLQU-UHFFFAOYSA-N 0 0 294.358 2.759 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2c[nH]c3ncccc23)n1 ZINC001242859874 781805224 /nfs/dbraw/zinc/80/52/24/781805224.db2.gz LSDUPDGCNCPUJP-UHFFFAOYSA-N 0 0 263.304 2.820 20 10 CFCDRN Oc1ccc(CNc2cccc(Cl)n2)cc1O ZINC000083383865 178387280 /nfs/dbraw/zinc/38/72/80/178387280.db2.gz LMVVPIILLPASPE-UHFFFAOYSA-N 0 0 250.685 2.758 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185424515 282282128 /nfs/dbraw/zinc/28/21/28/282282128.db2.gz BYKXTZOFTSNMAP-MEBBXXQBSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H](CCO)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000295035260 199311811 /nfs/dbraw/zinc/31/18/11/199311811.db2.gz DMSZCXZXVCLKCL-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN CCO[C@H](CCNC(=O)NCc1ccccc1O)C(C)C ZINC000074869573 347040108 /nfs/dbraw/zinc/04/01/08/347040108.db2.gz LGMIEBIMNPZCBD-OAHLLOKOSA-N 0 0 294.395 2.643 20 10 CFCDRN CCO[C@@H](CCNC(=O)NCc1ccccc1O)C(C)C ZINC000074869571 347040337 /nfs/dbraw/zinc/04/03/37/347040337.db2.gz LGMIEBIMNPZCBD-HNNXBMFYSA-N 0 0 294.395 2.643 20 10 CFCDRN O=C(Cc1cccnc1)NCc1c(O)ccc2c1CCCC2 ZINC000075159839 347058249 /nfs/dbraw/zinc/05/82/49/347058249.db2.gz QOFGTSISIFQMBQ-UHFFFAOYSA-N 0 0 296.370 2.525 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000295113360 199351999 /nfs/dbraw/zinc/35/19/99/199351999.db2.gz XPFMHXBQDXDWKP-RNCFNFMXSA-N 0 0 255.333 2.731 20 10 CFCDRN Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000028495518 346275588 /nfs/dbraw/zinc/27/55/88/346275588.db2.gz YZGRDFIDZNWXSG-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOC ZINC000048345779 346472063 /nfs/dbraw/zinc/47/20/63/346472063.db2.gz JURQCYFKSKEAFX-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)CC(C)C)CC2)cc1 ZINC000055877516 346597857 /nfs/dbraw/zinc/59/78/57/346597857.db2.gz UQPRFDQVMTZWJT-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN CCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055877421 346597989 /nfs/dbraw/zinc/59/79/89/346597989.db2.gz JUSFJMFTMUDVOD-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CCCC2)cc1F ZINC000058730556 346649576 /nfs/dbraw/zinc/64/95/76/346649576.db2.gz REAOVAFRXYPOBB-UHFFFAOYSA-N 0 0 264.344 2.698 20 10 CFCDRN Cc1ccc(F)c2c1N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000066787280 346779030 /nfs/dbraw/zinc/77/90/30/346779030.db2.gz VVNIQNFTPHSKRT-FNORWQNLSA-N 0 0 297.333 2.917 20 10 CFCDRN CCOCCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000076857473 347157879 /nfs/dbraw/zinc/15/78/79/347157879.db2.gz MQDHWDLQHZYOJN-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nccs2)C1 ZINC000078371747 347247455 /nfs/dbraw/zinc/24/74/55/347247455.db2.gz FQIVMNCAMQUNTP-AOOOYVTPSA-N 0 0 270.423 2.740 20 10 CFCDRN COc1cccc(CNc2nnc(C(F)F)s2)c1O ZINC000091479324 347588876 /nfs/dbraw/zinc/58/88/76/347588876.db2.gz QETBTRVLLLZAAF-UHFFFAOYSA-N 0 0 287.291 2.802 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1CO ZINC000092455823 347625531 /nfs/dbraw/zinc/62/55/31/347625531.db2.gz DSNAVUOCTMDEEH-JTQLQIEISA-N 0 0 276.163 2.656 20 10 CFCDRN Cc1cc(NCCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] ZINC000092666009 347638174 /nfs/dbraw/zinc/63/81/74/347638174.db2.gz IUWYSCYUNTUGCB-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Cc2ccsc2)cc1 ZINC000143906471 347938978 /nfs/dbraw/zinc/93/89/78/347938978.db2.gz WWICDNRVAGAXDL-UHFFFAOYSA-N 0 0 274.389 2.673 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ncccc1C ZINC000492007674 348631307 /nfs/dbraw/zinc/63/13/07/348631307.db2.gz XTQWAERFKHVUGB-SREVYHEPSA-N 0 0 267.332 2.770 20 10 CFCDRN C[C@@H](CCCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294768200 199174054 /nfs/dbraw/zinc/17/40/54/199174054.db2.gz JXJVZZFQHWNODW-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000294797448 199188637 /nfs/dbraw/zinc/18/86/37/199188637.db2.gz DUYAKXFYLUMHGK-YPMHNXCESA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H](CO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185121329 295975424 /nfs/dbraw/zinc/97/54/24/295975424.db2.gz MSOYKJBPLGPWOH-HTQZYQBOSA-N 0 0 278.179 2.978 20 10 CFCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293688513 299286537 /nfs/dbraw/zinc/28/65/37/299286537.db2.gz NOSUBSJPMJLKPL-QMMMGPOBSA-N 0 0 286.278 2.996 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C(C)C)c1O ZINC000297083609 200080919 /nfs/dbraw/zinc/08/09/19/200080919.db2.gz VCZKQDKJAFQNFI-UHFFFAOYSA-N 0 0 299.754 2.543 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000364791415 299392174 /nfs/dbraw/zinc/39/21/74/299392174.db2.gz OFXWRUDTXFNUQV-IBRIGMFSSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(F)c(F)c1[O-] ZINC000297159267 296126453 /nfs/dbraw/zinc/12/64/53/296126453.db2.gz CSKKRMXTRHYJSK-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@H]1CCOC1 ZINC000276933602 296150160 /nfs/dbraw/zinc/15/01/60/296150160.db2.gz ONORHLINLKEREC-UTLUCORTSA-N 0 0 271.307 2.746 20 10 CFCDRN CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000036229068 372567896 /nfs/dbraw/zinc/56/78/96/372567896.db2.gz SIPFGAFUBSXMKA-UHFFFAOYSA-N 0 0 264.152 2.825 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(O)c1 ZINC000111592998 375856063 /nfs/dbraw/zinc/85/60/63/375856063.db2.gz MCDGKOATKWOSDZ-UHFFFAOYSA-N 0 0 286.331 2.545 20 10 CFCDRN COc1cccc(CNc2ccnc(C3CC3)n2)c1O ZINC000112555414 375930415 /nfs/dbraw/zinc/93/04/15/375930415.db2.gz DQYAMUQAPVCTIW-UHFFFAOYSA-N 0 0 271.320 2.680 20 10 CFCDRN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000123771279 376977091 /nfs/dbraw/zinc/97/70/91/376977091.db2.gz KKGRJAVRQDLOJQ-LBPRGKRZSA-N 0 0 294.370 2.585 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000124530359 377061426 /nfs/dbraw/zinc/06/14/26/377061426.db2.gz QXXADPZOUDVPSG-LLVKDONJSA-N 0 0 255.745 2.656 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000124739488 377082385 /nfs/dbraw/zinc/08/23/85/377082385.db2.gz UVCONCLFOJIPBA-NSHDSACASA-N 0 0 255.745 2.704 20 10 CFCDRN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(O)c1O ZINC000126337701 377221132 /nfs/dbraw/zinc/22/11/32/377221132.db2.gz AONZUTPDYLQYAL-JQWIXIFHSA-N 0 0 263.337 2.749 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccncc1 ZINC000128060876 377313887 /nfs/dbraw/zinc/31/38/87/377313887.db2.gz ANRVXKMWRISAAF-SNAWJCMRSA-N 0 0 267.332 2.851 20 10 CFCDRN CCOC(=O)CN(Cc1c(O)cccc1Cl)C1CC1 ZINC000130356014 377542882 /nfs/dbraw/zinc/54/28/82/377542882.db2.gz JMVPIDJQUBAFEE-UHFFFAOYSA-N 0 0 283.755 2.573 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NC(C)(C)C)ccc21 ZINC000131357199 377700589 /nfs/dbraw/zinc/70/05/89/377700589.db2.gz YJCKVWFVQKCTGG-UHFFFAOYSA-N 0 0 275.396 2.667 20 10 CFCDRN COCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132703181 377869360 /nfs/dbraw/zinc/86/93/60/377869360.db2.gz OQKJPDGHCVFRJB-UHFFFAOYSA-N 0 0 264.152 2.777 20 10 CFCDRN CCc1ccc(/C=C2/SC(=S)N(C)C2=O)o1 ZINC000155369623 378623018 /nfs/dbraw/zinc/62/30/18/378623018.db2.gz LKBLEAXFPKNNLF-RMKNXTFCSA-N 0 0 253.348 2.673 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H](C)C2CCCC2)c1O ZINC000174922816 379963344 /nfs/dbraw/zinc/96/33/44/379963344.db2.gz NQLAKYAVMIYGBU-LLVKDONJSA-N 0 0 292.379 2.779 20 10 CFCDRN CCOC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000529665597 383743742 /nfs/dbraw/zinc/74/37/42/383743742.db2.gz HHSRDPAGIRBNCN-CQSZACIVSA-N 0 0 299.798 2.591 20 10 CFCDRN Cc1ccc(C(=O)Nc2nnc(C(C)C)s2)c(O)c1O ZINC000177668637 380364322 /nfs/dbraw/zinc/36/43/22/380364322.db2.gz VMEWBNDFZREGEM-UHFFFAOYSA-N 0 0 293.348 2.633 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1[C@@H]2CCC[C@H]12 ZINC000178291166 380432067 /nfs/dbraw/zinc/43/20/67/380432067.db2.gz LOLWXDSEGUFBJX-VMZNBEPHSA-N 0 0 285.387 2.933 20 10 CFCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000178464641 380453431 /nfs/dbraw/zinc/45/34/31/380453431.db2.gz QFPWUIOKRVRKIZ-QWHCGFSZSA-N 0 0 275.396 2.693 20 10 CFCDRN Cc1ccc([C@@H]2COCCN2Cc2ccccc2O)o1 ZINC000179576401 380561054 /nfs/dbraw/zinc/56/10/54/380561054.db2.gz UUUPXJPGDADOPC-AWEZNQCLSA-N 0 0 273.332 2.867 20 10 CFCDRN CN(Cc1nccn1C(F)F)Cc1cc(F)ccc1O ZINC000179934813 380600179 /nfs/dbraw/zinc/60/01/79/380600179.db2.gz SNLCVBWBSDHTCW-UHFFFAOYSA-N 0 0 285.269 2.755 20 10 CFCDRN COc1ccc(O)c(C[N@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000180479218 380666412 /nfs/dbraw/zinc/66/64/12/380666412.db2.gz GEQWRELCGJPOOK-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000180616138 380683383 /nfs/dbraw/zinc/68/33/83/380683383.db2.gz BGFKITLEQVQWSM-CQSZACIVSA-N 0 0 267.756 2.658 20 10 CFCDRN COc1ccc(N(C)Cc2cncs2)cc1F ZINC000180773445 380697731 /nfs/dbraw/zinc/69/77/31/380697731.db2.gz AVMIVQRBKZDWJY-UHFFFAOYSA-N 0 0 252.314 2.927 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000180426589 380656703 /nfs/dbraw/zinc/65/67/03/380656703.db2.gz JBLBNIGTCWJYCK-CYBMUJFWSA-N 0 0 267.756 2.656 20 10 CFCDRN C[N@H+](CCn1cccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295414007 380838049 /nfs/dbraw/zinc/83/80/49/380838049.db2.gz RVJVNRDCFQPWNU-UHFFFAOYSA-N 0 0 283.734 2.513 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287526718 380856556 /nfs/dbraw/zinc/85/65/56/380856556.db2.gz OSVXZMKYRFIWQA-SDDRHHMPSA-N 0 0 267.344 2.855 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000287690503 380910313 /nfs/dbraw/zinc/91/03/13/380910313.db2.gz WRIUZZNIPSFAIQ-OUAUKWLOSA-N 0 0 285.334 2.994 20 10 CFCDRN CCCCCN1CC(=O)N[C@H]1c1cc(C)c(C)cc1O ZINC000182329127 381066283 /nfs/dbraw/zinc/06/62/83/381066283.db2.gz DLXGJKWZZYQUML-MRXNPFEDSA-N 0 0 276.380 2.630 20 10 CFCDRN CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000182343956 381070037 /nfs/dbraw/zinc/07/00/37/381070037.db2.gz XLWYOWKNFLIWQO-CQSZACIVSA-N 0 0 286.375 2.595 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000295861433 381122142 /nfs/dbraw/zinc/12/21/42/381122142.db2.gz BMUFYYOPFINZIO-JTQLQIEISA-N 0 0 255.333 2.591 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c(O)c1O ZINC000182499725 381101851 /nfs/dbraw/zinc/10/18/51/381101851.db2.gz MZOZSMHCPARLRG-ONGXEEELSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(O)c1O ZINC000182378491 381078356 /nfs/dbraw/zinc/07/83/56/381078356.db2.gz SPGWRLFMJWPPJM-QWRGUYRKSA-N 0 0 263.337 2.809 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]CCN1CCCCCC1)CC2 ZINC000295974702 381193038 /nfs/dbraw/zinc/19/30/38/381193038.db2.gz MWZZODCBEBEDIC-HNNXBMFYSA-N 0 0 274.408 2.845 20 10 CFCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000369106799 381195723 /nfs/dbraw/zinc/19/57/23/381195723.db2.gz LXZQLOULCMIVNP-ROJDOSBLSA-N 0 0 294.354 2.699 20 10 CFCDRN Oc1ccc2c(c1)OCCN(Cc1cccc(F)c1O)C2 ZINC000289873351 381198200 /nfs/dbraw/zinc/19/82/00/381198200.db2.gz VVPNBVUULHTYCB-UHFFFAOYSA-N 0 0 289.306 2.632 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000183446456 381273214 /nfs/dbraw/zinc/27/32/14/381273214.db2.gz PZQRHLPJOVFIEH-CQSZACIVSA-N 0 0 297.782 2.763 20 10 CFCDRN Cc1ccsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183454044 381273232 /nfs/dbraw/zinc/27/32/32/381273232.db2.gz JKTCPPPTNZWWDZ-SNVBAGLBSA-N 0 0 291.372 2.829 20 10 CFCDRN CO[C@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000184027238 381355909 /nfs/dbraw/zinc/35/59/09/381355909.db2.gz CYYLKLZTCZNEFE-GFCCVEGCSA-N 0 0 291.391 2.702 20 10 CFCDRN Cc1ccnc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000184159067 381378680 /nfs/dbraw/zinc/37/86/80/381378680.db2.gz NKSCHPXTHQLMFP-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC000296980424 381548206 /nfs/dbraw/zinc/54/82/06/381548206.db2.gz FGNCKUAXBUPLEB-ZIAGYGMSSA-N 0 0 287.407 2.837 20 10 CFCDRN CC[C@@H](C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)OC ZINC000298065851 381577608 /nfs/dbraw/zinc/57/76/08/381577608.db2.gz JZPOJXHTSQNBAN-IUODEOHRSA-N 0 0 294.395 2.595 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CC2 ZINC000297144854 381553237 /nfs/dbraw/zinc/55/32/37/381553237.db2.gz ZRLPZHHHYPYUFT-GJZGRUSLSA-N 0 0 295.386 2.643 20 10 CFCDRN CCS[C@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000297296519 381557381 /nfs/dbraw/zinc/55/73/81/381557381.db2.gz VEHZMWRLFPVJOG-ZDUSSCGKSA-N 0 0 266.410 2.663 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cncs1 ZINC000298407429 381610629 /nfs/dbraw/zinc/61/06/29/381610629.db2.gz PGFNPESLBYHYOR-UHFFFAOYSA-N 0 0 287.388 2.673 20 10 CFCDRN COC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000348632295 381649131 /nfs/dbraw/zinc/64/91/31/381649131.db2.gz DWWJQHUFAJJUER-UHFFFAOYSA-N 0 0 274.364 2.528 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000371527845 381652761 /nfs/dbraw/zinc/65/27/61/381652761.db2.gz JEVDKNUJPGYJAE-KGLIPLIRSA-N 0 0 265.328 2.675 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185512946 381654667 /nfs/dbraw/zinc/65/46/67/381654667.db2.gz QMKMWRSUCXWLRB-OTYXRUKQSA-N 0 0 281.352 2.977 20 10 CFCDRN CC(C)OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000372116029 381754525 /nfs/dbraw/zinc/75/45/25/381754525.db2.gz INAJYOFSLKZZDG-AWEZNQCLSA-N 0 0 299.798 2.671 20 10 CFCDRN CCO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298998847 381796266 /nfs/dbraw/zinc/79/62/66/381796266.db2.gz MEAVOSSOLRPCQW-CYBMUJFWSA-N 0 0 290.407 2.669 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000186143407 381834490 /nfs/dbraw/zinc/83/44/90/381834490.db2.gz KYAQODHYBINRHW-PWSUYJOCSA-N 0 0 269.360 2.979 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCC3(CC3)C2)cc1 ZINC000186049600 381811724 /nfs/dbraw/zinc/81/17/24/381811724.db2.gz ULKREAHHLWYQKL-UHFFFAOYSA-N 0 0 287.407 2.838 20 10 CFCDRN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186382708 381896777 /nfs/dbraw/zinc/89/67/77/381896777.db2.gz XRLJBJZCFSTLAQ-SRVKXCTJSA-N 0 0 279.380 2.827 20 10 CFCDRN Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)no1 ZINC000373122999 381933398 /nfs/dbraw/zinc/93/33/98/381933398.db2.gz HLHXQRWFGQRSJP-GFCCVEGCSA-N 0 0 291.326 2.602 20 10 CFCDRN O=C(NCCCOC1CCCCC1)c1cccc(O)c1O ZINC000186810165 382020822 /nfs/dbraw/zinc/02/08/22/382020822.db2.gz SWKAILRSLODIBF-UHFFFAOYSA-N 0 0 293.363 2.567 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(F)cc1[O-] ZINC000375805476 382103755 /nfs/dbraw/zinc/10/37/55/382103755.db2.gz MDRYQTKCEVSVIR-GXTWGEPZSA-N 0 0 289.354 2.853 20 10 CFCDRN Cc1nnc([C@@H](C)N2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000375962833 382113763 /nfs/dbraw/zinc/11/37/63/382113763.db2.gz PMSCQKHQUTYOGG-GFCCVEGCSA-N 0 0 298.390 2.904 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C3CC3)C2)c1O ZINC000375331664 382082399 /nfs/dbraw/zinc/08/23/99/382082399.db2.gz IWJAQGYTUNHNOQ-CQSZACIVSA-N 0 0 297.782 2.665 20 10 CFCDRN CCS[C@@H]1CCCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187088153 382095251 /nfs/dbraw/zinc/09/52/51/382095251.db2.gz FJTSXGYVRXVYMR-LLVKDONJSA-N 0 0 295.404 2.846 20 10 CFCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(O)c1O ZINC000187100230 382098555 /nfs/dbraw/zinc/09/85/55/382098555.db2.gz BFSVGSOHRQQEHW-MDZLAQPJSA-N 0 0 275.348 2.891 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC12CCOCC2 ZINC000376463129 382137820 /nfs/dbraw/zinc/13/78/20/382137820.db2.gz LBARCOMJTQLARN-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1CC1 ZINC000293579279 382184273 /nfs/dbraw/zinc/18/42/73/382184273.db2.gz JPKAHEQXVDKLFX-GXSJLCMTSA-N 0 0 298.789 2.900 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c1O ZINC000293637698 382206607 /nfs/dbraw/zinc/20/66/07/382206607.db2.gz KMQNTSNNJVELRD-YGRLFVJLSA-N 0 0 297.301 2.524 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cl)c1[O-] ZINC000376902535 382188612 /nfs/dbraw/zinc/18/86/12/382188612.db2.gz JLQNYODTPMFLQH-NRWUCQMLSA-N 0 0 281.783 2.979 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1nccc(C)n1 ZINC000301734302 382189483 /nfs/dbraw/zinc/18/94/83/382189483.db2.gz APRLDKZNKBHXTH-UHFFFAOYSA-N 0 0 270.380 2.878 20 10 CFCDRN COc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000376910190 382190017 /nfs/dbraw/zinc/19/00/17/382190017.db2.gz INEFHGYMICEPGD-UHFFFAOYSA-N 0 0 296.370 2.618 20 10 CFCDRN Fc1cnc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000301793325 382193074 /nfs/dbraw/zinc/19/30/74/382193074.db2.gz RZBQNQPSQMEPBD-UHFFFAOYSA-N 0 0 270.311 2.604 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000377236944 382239801 /nfs/dbraw/zinc/23/98/01/382239801.db2.gz GWXLGRCVXJWKNJ-HIFRSBDPSA-N 0 0 291.391 2.649 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187685690 382246162 /nfs/dbraw/zinc/24/61/62/382246162.db2.gz BXAKBHQOVXRLAA-QMMMGPOBSA-N 0 0 295.333 2.872 20 10 CFCDRN Cc1cc(CN2CCC[C@H]2c2nncn2C)ccc1N(C)C ZINC000293813619 382290412 /nfs/dbraw/zinc/29/04/12/382290412.db2.gz OJOXOQAGTYTCTA-INIZCTEOSA-N 0 0 299.422 2.527 20 10 CFCDRN C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccccc1O ZINC000377340838 382256046 /nfs/dbraw/zinc/25/60/46/382256046.db2.gz ZHTHMPCTIALTMO-BZNIZROVSA-N 0 0 298.342 2.714 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000377407382 382268461 /nfs/dbraw/zinc/26/84/61/382268461.db2.gz AEUXALAQVLTPHT-IUCAKERBSA-N 0 0 293.317 2.602 20 10 CFCDRN Cc1c(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000187807741 382274636 /nfs/dbraw/zinc/27/46/36/382274636.db2.gz LHDIARYKNKFIEX-MRVPVSSYSA-N 0 0 281.306 2.563 20 10 CFCDRN Cc1ccc(O)c(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1 ZINC000364322118 382305876 /nfs/dbraw/zinc/30/58/76/382305876.db2.gz DRQWRNAMKPZDJQ-MRXNPFEDSA-N 0 0 294.358 2.698 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000293912901 382333768 /nfs/dbraw/zinc/33/37/68/382333768.db2.gz LWUOHRLMUBEOCU-ZDUSSCGKSA-N 0 0 287.762 2.825 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC[C@H]2CF)c1O ZINC000293957357 382352794 /nfs/dbraw/zinc/35/27/94/382352794.db2.gz JDXFHOSMEQMAFM-NSHDSACASA-N 0 0 273.735 2.988 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000365266759 382368033 /nfs/dbraw/zinc/36/80/33/382368033.db2.gz LMBDVRJOLKJHRV-GXFFZTMASA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1ccc(O)c(CN2CCOC[C@H]2c2ccco2)c1 ZINC000378337362 382438812 /nfs/dbraw/zinc/43/88/12/382438812.db2.gz AUVTUMPRPOUDMU-AWEZNQCLSA-N 0 0 273.332 2.867 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC2(CCC2)CC1 ZINC000308729417 382485452 /nfs/dbraw/zinc/48/54/52/382485452.db2.gz PWNVASJXUUQLMS-UHFFFAOYSA-N 0 0 261.321 2.504 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378635485 382497780 /nfs/dbraw/zinc/49/77/80/382497780.db2.gz USTFCXCIQJSZIM-GFCCVEGCSA-N 0 0 253.317 2.532 20 10 CFCDRN CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000294406604 382512716 /nfs/dbraw/zinc/51/27/16/382512716.db2.gz NNRZKPMZVBPPNB-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)c(C)n1-c1ccccn1 ZINC000294431672 382512965 /nfs/dbraw/zinc/51/29/65/382512965.db2.gz ZUCUZNYSTRHRJR-WCQYABFASA-N 0 0 283.375 2.970 20 10 CFCDRN CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294889756 382540240 /nfs/dbraw/zinc/54/02/40/382540240.db2.gz WKKXNOYMDZCQDT-NSHDSACASA-N 0 0 255.745 2.703 20 10 CFCDRN CC[C@H]([NH2+]CCc1nccnc1C)c1ccc(F)cc1[O-] ZINC000295033593 382563759 /nfs/dbraw/zinc/56/37/59/382563759.db2.gz OUEYYHNYTCTCGH-AWEZNQCLSA-N 0 0 289.354 2.913 20 10 CFCDRN COC(=O)c1cnc(S[C@@H](C)c2cnccn2)s1 ZINC000295156765 382578162 /nfs/dbraw/zinc/57/81/62/382578162.db2.gz GBHRLJJECHXIRJ-ZETCQYMHSA-N 0 0 281.362 2.573 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000295140813 382578458 /nfs/dbraw/zinc/57/84/58/382578458.db2.gz ZOCBRUAOYLGYAR-VIFPVBQESA-N 0 0 257.761 2.685 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000295199560 382581127 /nfs/dbraw/zinc/58/11/27/382581127.db2.gz KPCJUYWQRLRCQZ-ZDUSSCGKSA-N 0 0 297.782 2.905 20 10 CFCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccc(F)cc1 ZINC000493703739 382879308 /nfs/dbraw/zinc/87/93/08/382879308.db2.gz FYQGNGXFBQSDKU-VMPITWQZSA-N 0 0 259.284 2.615 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCOC1 ZINC000252805596 383436455 /nfs/dbraw/zinc/43/64/55/383436455.db2.gz GANQILYAQULYFL-VWYCJHECSA-N 0 0 253.317 2.607 20 10 CFCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000254941140 383473068 /nfs/dbraw/zinc/47/30/68/383473068.db2.gz MKSBEOVVNSRZSD-FPLPWBNLSA-N 0 0 256.280 2.897 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccccn2)s1 ZINC000255338379 383480333 /nfs/dbraw/zinc/48/03/33/383480333.db2.gz KVSKFVPUBBPJQQ-SREVYHEPSA-N 0 0 259.334 2.523 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000266913397 384259764 /nfs/dbraw/zinc/25/97/64/384259764.db2.gz MHQPTGIMSLNIMZ-MRXNPFEDSA-N 0 0 298.386 2.609 20 10 CFCDRN Cc1[nH]nc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000267066919 384291901 /nfs/dbraw/zinc/29/19/01/384291901.db2.gz UWNYHOHDSSDPEL-UHFFFAOYSA-N 0 0 299.374 2.541 20 10 CFCDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269213927 384735842 /nfs/dbraw/zinc/73/58/42/384735842.db2.gz FJZKBLJJKFPHJI-MRXNPFEDSA-N 0 0 296.370 2.678 20 10 CFCDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269213926 384736428 /nfs/dbraw/zinc/73/64/28/384736428.db2.gz FJZKBLJJKFPHJI-INIZCTEOSA-N 0 0 296.370 2.678 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCO)C2CC2)cc1 ZINC000269635102 384812787 /nfs/dbraw/zinc/81/27/87/384812787.db2.gz VZENNIITZOQNBJ-UHFFFAOYSA-N 0 0 298.386 2.691 20 10 CFCDRN CC[C@H](C)OCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000269694742 384839831 /nfs/dbraw/zinc/83/98/31/384839831.db2.gz GXJKGGZKAKHKOQ-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2CCF)cc1Cl ZINC000281375544 385191434 /nfs/dbraw/zinc/19/14/34/385191434.db2.gz BMQLDCOGTJGEMY-UHFFFAOYSA-N 0 0 298.749 2.546 20 10 CFCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000270741684 385211610 /nfs/dbraw/zinc/21/16/10/385211610.db2.gz CHTDDAHLYVINPK-UHFFFAOYSA-N 0 0 284.359 2.803 20 10 CFCDRN Cc1cc(O)c(CNc2ncnn2C(C)(C)C)cc1C ZINC000282759482 385384737 /nfs/dbraw/zinc/38/47/37/385384737.db2.gz ZJAMILWOZWMSQX-UHFFFAOYSA-N 0 0 274.368 2.968 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+](CCO)C1CCCC1 ZINC000271798903 385392425 /nfs/dbraw/zinc/39/24/25/385392425.db2.gz KRYDIKIOSFNSOW-UHFFFAOYSA-N 0 0 269.772 2.783 20 10 CFCDRN CC1(C)C[C@@H](NC(=O)NCc2ccccc2O)C(C)(C)O1 ZINC000272184641 385468957 /nfs/dbraw/zinc/46/89/57/385468957.db2.gz ANWGUTKYBXDVGI-CYBMUJFWSA-N 0 0 292.379 2.538 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(C)(C)O)c1[O-] ZINC000272615624 385576246 /nfs/dbraw/zinc/57/62/46/385576246.db2.gz SGJRMFOVEXDIJH-UHFFFAOYSA-N 0 0 299.798 2.887 20 10 CFCDRN CN(C)c1ccc(CN2CCOc3cc(O)ccc3C2)cc1 ZINC000285420350 385555026 /nfs/dbraw/zinc/55/50/26/385555026.db2.gz GQNPJKDMHYPLGF-UHFFFAOYSA-N 0 0 298.386 2.853 20 10 CFCDRN CC[C@H]([NH2+]CCc1nc(C)no1)c1ccc(F)cc1[O-] ZINC000285916625 385558707 /nfs/dbraw/zinc/55/87/07/385558707.db2.gz DNUSLIZSWRFONB-LBPRGKRZSA-N 0 0 279.315 2.506 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC000272624823 385578177 /nfs/dbraw/zinc/57/81/77/385578177.db2.gz JIBLKGUVGCEGCC-ZRQQLDRUSA-N 0 0 275.348 2.758 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)COC)c1ccc(F)cc1[O-] ZINC000286328888 385591017 /nfs/dbraw/zinc/59/10/17/385591017.db2.gz XWVBTXLPMUTZBN-MFKMUULPSA-N 0 0 255.333 2.855 20 10 CFCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272788915 385615999 /nfs/dbraw/zinc/61/59/99/385615999.db2.gz JLFYZHPFDXHCCA-GXTWGEPZSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1cccc(CNc2nc(C)nc3c2CCCC3)c1O ZINC000272811189 385621696 /nfs/dbraw/zinc/62/16/96/385621696.db2.gz CLQGMZRKTGOLOM-UHFFFAOYSA-N 0 0 299.374 2.990 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCSCC2)c1 ZINC000273519286 385686491 /nfs/dbraw/zinc/68/64/91/385686491.db2.gz TYHPNYXLLDCGJE-JTQLQIEISA-N 0 0 295.404 2.725 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](OC)C(C)C)c1 ZINC000273550385 385687939 /nfs/dbraw/zinc/68/79/39/385687939.db2.gz FSZSGXLBIFSNNG-NHYWBVRUSA-N 0 0 295.379 2.500 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000273602544 385690917 /nfs/dbraw/zinc/69/09/17/385690917.db2.gz SEHTVBICWUPZQB-QMTHXVAHSA-N 0 0 279.311 2.817 20 10 CFCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287138711 385787085 /nfs/dbraw/zinc/78/70/85/385787085.db2.gz ANAVEWDYJMVGCE-HTQZYQBOSA-N 0 0 291.269 2.780 20 10 CFCDRN Cc1cnccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000274463965 385805810 /nfs/dbraw/zinc/80/58/10/385805810.db2.gz UEYBGFZHCWFBHW-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CN(C)C)c1ccc(F)cc1[O-] ZINC000287175191 385796710 /nfs/dbraw/zinc/79/67/10/385796710.db2.gz UVZUROFFMBKHAT-GWCFXTLKSA-N 0 0 254.349 2.522 20 10 CFCDRN Cc1ccc(C(=O)N2CC3(C2)CCCCC3)c(O)c1O ZINC000274892012 385892462 /nfs/dbraw/zinc/89/24/62/385892462.db2.gz DDYHWDMHAWVKOM-UHFFFAOYSA-N 0 0 275.348 2.813 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1C[C@@H](CO)c2ccccc21 ZINC000364935205 285281309 /nfs/dbraw/zinc/28/13/09/285281309.db2.gz PWLUJKUSZHBZNA-LRDDRELGSA-N 0 0 287.334 2.842 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000107671914 393870934 /nfs/dbraw/zinc/87/09/34/393870934.db2.gz VBLRTJLHOXQMMI-AWEZNQCLSA-N 0 0 263.381 2.867 20 10 CFCDRN CCOCC[N@H+](CC)Cc1cc(C)c(C)cc1O ZINC000107669016 393870952 /nfs/dbraw/zinc/87/09/52/393870952.db2.gz DUVYAJOVTXLLCX-UHFFFAOYSA-N 0 0 251.370 2.867 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C=O)[nH]1 ZINC000120576163 393936098 /nfs/dbraw/zinc/93/60/98/393936098.db2.gz IMPWJVRDFJBTJC-UHFFFAOYSA-N 0 0 286.331 2.585 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1F ZINC000119564492 393920801 /nfs/dbraw/zinc/92/08/01/393920801.db2.gz XNOOOWRPOYQAIT-NSHDSACASA-N 0 0 264.344 2.554 20 10 CFCDRN CN(CCCCCn1cccn1)c1ccc2c(c1)OCO2 ZINC000121241574 393953080 /nfs/dbraw/zinc/95/30/80/393953080.db2.gz JTSOWXVBKRUCOR-UHFFFAOYSA-N 0 0 287.363 2.919 20 10 CFCDRN COC(=O)c1occc1CN(C)c1ccc(OC)c(F)c1 ZINC000121740971 393959377 /nfs/dbraw/zinc/95/93/77/393959377.db2.gz YQNHGGMEGCMYSQ-UHFFFAOYSA-N 0 0 293.294 2.850 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2C)cc1F ZINC000121832588 393961192 /nfs/dbraw/zinc/96/11/92/393961192.db2.gz KHPREPQDZLNTIX-UHFFFAOYSA-N 0 0 277.343 2.821 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2cc(Cl)ccc21 ZINC000492930847 394101437 /nfs/dbraw/zinc/10/14/37/394101437.db2.gz WIGBGOSNMUQYGW-RQOWECAXSA-N 0 0 273.723 2.666 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CCc2c1cccc2F ZINC000492630929 394073376 /nfs/dbraw/zinc/07/33/76/394073376.db2.gz JRCQDFRSPAUVJS-PLNGDYQASA-N 0 0 284.290 2.529 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2ccc(Cl)cc21 ZINC000492809054 394077121 /nfs/dbraw/zinc/07/71/21/394077121.db2.gz FJLOIQWBQKRVES-ONEGZZNKSA-N 0 0 273.723 2.666 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1ccn(C)c1 ZINC000493329758 394212401 /nfs/dbraw/zinc/21/24/01/394212401.db2.gz XCFDZWGOWHLONK-UTCJRWHESA-N 0 0 282.343 2.636 20 10 CFCDRN Cc1ccc(O)c(CNc2ncccc2N2CCOCC2)c1 ZINC000367544017 394257582 /nfs/dbraw/zinc/25/75/82/394257582.db2.gz HYGHPGURDQBWLR-UHFFFAOYSA-N 0 0 299.374 2.544 20 10 CFCDRN Cn1ccc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000493483044 394255457 /nfs/dbraw/zinc/25/54/57/394255457.db2.gz BCZNKADOAWTKNJ-GORDUTHDSA-N 0 0 297.314 2.536 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc(F)n2)c1 ZINC000493507863 394261870 /nfs/dbraw/zinc/26/18/70/394261870.db2.gz ALVWEGMMHDNRRN-SREVYHEPSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(F)n1 ZINC000493561945 394278457 /nfs/dbraw/zinc/27/84/57/394278457.db2.gz UDWGLJUDNLTEQX-VOTSOKGWSA-N 0 0 277.324 2.662 20 10 CFCDRN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)C1 ZINC000295557343 394301130 /nfs/dbraw/zinc/30/11/30/394301130.db2.gz VGDNTEBFFQVOJK-UWVGGRQHSA-N 0 0 281.327 2.745 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372286945 394309056 /nfs/dbraw/zinc/30/90/56/394309056.db2.gz CPRKAIHHMWBXGP-CABCVRRESA-N 0 0 272.392 2.587 20 10 CFCDRN COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C)cc1 ZINC000372248159 394309113 /nfs/dbraw/zinc/30/91/13/394309113.db2.gz QEEMLPWZDZLRHY-UHFFFAOYSA-N 0 0 296.370 2.618 20 10 CFCDRN CN1CCc2cc(CNC(=O)CCC3CCC3)ccc21 ZINC000372259502 394309245 /nfs/dbraw/zinc/30/92/45/394309245.db2.gz AMNPSCBVRKHRTC-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271785212 296589840 /nfs/dbraw/zinc/58/98/40/296589840.db2.gz FIGWUAXOVQGQGC-LBPRGKRZSA-N 0 0 297.782 2.821 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC=C(C)C2)cc1OC ZINC000280842780 286248536 /nfs/dbraw/zinc/24/85/36/286248536.db2.gz XOTVJZREMHNIKV-UHFFFAOYSA-N 0 0 278.308 2.768 20 10 CFCDRN C[C@H]1CC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000365554552 300078361 /nfs/dbraw/zinc/07/83/61/300078361.db2.gz DQQNZKWAQSZGMH-ZBEGNZNMSA-N 0 0 275.348 2.750 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000020185877 171049324 /nfs/dbraw/zinc/04/93/24/171049324.db2.gz SXRPLZNQDRDSOS-UHFFFAOYSA-N 0 0 262.259 2.728 20 10 CFCDRN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1O ZINC000040404242 174253877 /nfs/dbraw/zinc/25/38/77/174253877.db2.gz OBCKLEWCWOGKSJ-UHFFFAOYSA-N 0 0 287.359 2.796 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000184687899 262292446 /nfs/dbraw/zinc/29/24/46/262292446.db2.gz AHHHNTUTVWWWMQ-JTQLQIEISA-N 0 0 285.771 2.665 20 10 CFCDRN O=C(Cc1ccc2c(c1)CCC2)NCc1ccccc1O ZINC000299580149 263248410 /nfs/dbraw/zinc/24/84/10/263248410.db2.gz RAROAGLOHXQUCI-UHFFFAOYSA-N 0 0 281.355 2.740 20 10 CFCDRN CC[C@@H](c1ccccc1O)N1CCOCC(F)(F)C1 ZINC000367684861 267108894 /nfs/dbraw/zinc/10/88/94/267108894.db2.gz ITZVVIYEZWIVQZ-LBPRGKRZSA-N 0 0 271.307 2.811 20 10 CFCDRN C[C@H]1CCOCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000367701183 267111387 /nfs/dbraw/zinc/11/13/87/267111387.db2.gz FPNDYRFAIBUMCK-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367738661 267114351 /nfs/dbraw/zinc/11/43/51/267114351.db2.gz BRXSQNLMCKRPIB-WCQYABFASA-N 0 0 281.783 2.904 20 10 CFCDRN CC[C@@H](c1ccccc1O)N1CC(F)(F)C[C@H]1CO ZINC000368037697 267139653 /nfs/dbraw/zinc/13/96/53/267139653.db2.gz NMKNGVHHGABUTC-JQWIXIFHSA-N 0 0 271.307 2.545 20 10 CFCDRN CN1CCc2cc(CNc3ncccc3[N+](=O)[O-])ccc21 ZINC000370060770 267288179 /nfs/dbraw/zinc/28/81/79/267288179.db2.gz QIELYBPLLJVUCX-UHFFFAOYSA-N 0 0 284.319 2.594 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2OCCc3ccsc32)cc1 ZINC000370722946 267342343 /nfs/dbraw/zinc/34/23/43/267342343.db2.gz QFLCACFYBYVLBU-CYBMUJFWSA-N 0 0 288.372 2.973 20 10 CFCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372461683 267568074 /nfs/dbraw/zinc/56/80/74/267568074.db2.gz APFZWDKYTBLZKI-CYBMUJFWSA-N 0 0 289.423 2.866 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(O)cc1O ZINC000827805788 782045421 /nfs/dbraw/zinc/04/54/21/782045421.db2.gz WMSBHDXRZGGWCA-VXGBXAGGSA-N 0 0 277.364 2.930 20 10 CFCDRN CCc1nn(C)cc1N[C@@H]1CCc2cccc(O)c21 ZINC000296942648 276706222 /nfs/dbraw/zinc/70/62/22/276706222.db2.gz QMKNGLYNFHCEEC-GFCCVEGCSA-N 0 0 257.337 2.788 20 10 CFCDRN CC(C)c1nnc2n1CCN(Cc1ccccc1O)[C@H]2C ZINC000188449936 278108731 /nfs/dbraw/zinc/10/87/31/278108731.db2.gz UUOWPTFGNSOLLF-LBPRGKRZSA-N 0 0 286.379 2.684 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1[O-] ZINC000287700105 288064577 /nfs/dbraw/zinc/06/45/77/288064577.db2.gz NOQBFXPATOUZDZ-MFKMUULPSA-N 0 0 296.798 2.707 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191215806 278993817 /nfs/dbraw/zinc/99/38/17/278993817.db2.gz OBIKLHICEVSMMQ-UWVGGRQHSA-N 0 0 273.323 2.728 20 10 CFCDRN CCN(CC)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191182530 279107575 /nfs/dbraw/zinc/10/75/75/279107575.db2.gz VUZUZIATXNWFPG-JTQLQIEISA-N 0 0 272.339 2.663 20 10 CFCDRN C[C@H]([NH2+]CCCOCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273375870 289956414 /nfs/dbraw/zinc/95/64/14/289956414.db2.gz HEKZQWDVVDCEHN-NSHDSACASA-N 0 0 294.351 2.768 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187802488 293166333 /nfs/dbraw/zinc/16/63/33/293166333.db2.gz OBTNCYIBQCYOKO-PELKAZGASA-N 0 0 271.307 2.746 20 10 CFCDRN Cn1cnnc1-c1cccc(NCc2ccccc2O)c1 ZINC000037125270 326837791 /nfs/dbraw/zinc/83/77/91/326837791.db2.gz XUDWIUZKCYCIPD-UHFFFAOYSA-N 0 0 280.331 2.800 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000255831038 327019505 /nfs/dbraw/zinc/01/95/05/327019505.db2.gz FAYAXHKZHMSODL-SREVYHEPSA-N 0 0 297.333 2.717 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2ccccc2F)cnn1C ZINC000162356310 330003324 /nfs/dbraw/zinc/00/33/24/330003324.db2.gz QFRKHSVEBSZGSP-CMDGGOBGSA-N 0 0 273.311 2.544 20 10 CFCDRN CC[C@H](NCc1cnn(CC)n1)c1cc(Cl)ccc1O ZINC000527925574 330296468 /nfs/dbraw/zinc/29/64/68/330296468.db2.gz VHFFCOMHMZOAOD-ZDUSSCGKSA-N 0 0 294.786 2.898 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000528002821 330300234 /nfs/dbraw/zinc/30/02/34/330300234.db2.gz MPCOKCGBBGUUKW-QSJCVTFJSA-N 0 0 267.344 2.994 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000457775471 331234022 /nfs/dbraw/zinc/23/40/22/331234022.db2.gz ZROUENVMNRTRGE-MRRJBJDNSA-N 0 0 298.386 2.670 20 10 CFCDRN CC[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 ZINC000491908592 332374661 /nfs/dbraw/zinc/37/46/61/332374661.db2.gz XLBPAKQCJCLTRP-NPQIQWPPSA-N 0 0 295.342 2.694 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCC=Cc2ccccc21 ZINC000492036217 332379908 /nfs/dbraw/zinc/37/99/08/332379908.db2.gz YPKLPFKGHVNWBL-CMDGGOBGSA-N 0 0 277.327 2.940 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCOc3ccccc32)cn1 ZINC000492383258 332394968 /nfs/dbraw/zinc/39/49/68/332394968.db2.gz ZIGFEXZVCWYBFR-HJWRWDBZSA-N 0 0 280.327 2.829 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2ccc(F)cc21 ZINC000492506458 332400826 /nfs/dbraw/zinc/40/08/26/332400826.db2.gz VBJCYOVWDDJENO-GORDUTHDSA-N 0 0 298.317 2.968 20 10 CFCDRN COc1cncc(/C=C/C(=O)N(C)c2ccccc2F)c1 ZINC000492518157 332401239 /nfs/dbraw/zinc/40/12/39/332401239.db2.gz GCYXLDOSIBFDFS-BQYQJAHWSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000492807341 332414312 /nfs/dbraw/zinc/41/43/12/332414312.db2.gz MCOPUIFJGRATQY-LFAOLKIESA-N 0 0 294.354 2.526 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](CO)c3ccccc32)cn1 ZINC000492853777 332416170 /nfs/dbraw/zinc/41/61/70/332416170.db2.gz OTCQWGHJEVFXHN-XVJNWHFHSA-N 0 0 294.354 2.526 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCN(C)c2ccccc21 ZINC000186487369 333161733 /nfs/dbraw/zinc/16/17/33/333161733.db2.gz UTNVWRUHSACRBW-BQYQJAHWSA-N 0 0 299.399 2.948 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(C)n1 ZINC000186517259 333162270 /nfs/dbraw/zinc/16/22/70/333162270.db2.gz QQLNNFHMKYMHJD-BQYQJAHWSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnnc1C ZINC000525969210 333413215 /nfs/dbraw/zinc/41/32/15/333413215.db2.gz FKRHUVRNGMADNO-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN CC1(NC(=O)c2cccc(O)c2O)CCC(F)(F)CC1 ZINC000529806755 333509610 /nfs/dbraw/zinc/50/96/10/333509610.db2.gz WRIDLUJOOVFOTP-UHFFFAOYSA-N 0 0 285.290 2.796 20 10 CFCDRN CCOC(=O)[C@@H](NCc1cccc(F)c1O)[C@@H](C)CC ZINC000276484980 521083550 /nfs/dbraw/zinc/08/35/50/521083550.db2.gz OZAXZUBZGVMKOF-GWCFXTLKSA-N 0 0 283.343 2.599 20 10 CFCDRN CCS(=O)(=O)CCSc1ncc(C(C)(C)C)s1 ZINC000164077934 521644856 /nfs/dbraw/zinc/64/48/56/521644856.db2.gz KCIOCTQIGIEAEG-UHFFFAOYSA-N 0 0 293.479 2.967 20 10 CFCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224823603 518694831 /nfs/dbraw/zinc/69/48/31/518694831.db2.gz MLUXXQPYEPEEQJ-NSHDSACASA-N 0 0 271.788 2.932 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(=O)[O-] ZINC000277072865 519351067 /nfs/dbraw/zinc/35/10/67/519351067.db2.gz VPSFRULRUPBVAC-AWEZNQCLSA-N 0 0 291.391 2.848 20 10 CFCDRN CC(=O)C(=O)COc1cc(C(F)(F)F)ccc1Cl ZINC000289522293 519357789 /nfs/dbraw/zinc/35/77/89/519357789.db2.gz DGAXWULIURDPLY-UHFFFAOYSA-N 0 0 280.629 2.896 20 10 CFCDRN CC(C)Nc1ncccc1C(=O)NCc1ccccc1O ZINC000265420036 519742049 /nfs/dbraw/zinc/74/20/49/519742049.db2.gz QFRZMVVDXMZUBA-UHFFFAOYSA-N 0 0 285.347 2.538 20 10 CFCDRN CC(C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126435538 519824839 /nfs/dbraw/zinc/82/48/39/519824839.db2.gz YQSQPJAVNJZOIG-LBPRGKRZSA-N 0 0 277.364 2.996 20 10 CFCDRN CC(C)c1nnc(COc2ccc(N(C)C)cc2)o1 ZINC000278786295 519888377 /nfs/dbraw/zinc/88/83/77/519888377.db2.gz WNJGHFWIHKTCQH-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN CC(C)n1cnnc1CN(C)Cc1c(O)cccc1Cl ZINC000292877735 520058523 /nfs/dbraw/zinc/05/85/23/520058523.db2.gz XGOHQUXRLXGTCX-UHFFFAOYSA-N 0 0 294.786 2.850 20 10 CFCDRN CCOC[C@@H](NC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000191826904 520080547 /nfs/dbraw/zinc/08/05/47/520080547.db2.gz OKKUWMFSXWLFCL-CQSZACIVSA-N 0 0 294.395 2.595 20 10 CFCDRN CCN(CC(C)(C)C)C(=O)c1cccc(O)c1O ZINC000291177767 520393877 /nfs/dbraw/zinc/39/38/77/520393877.db2.gz KMGFYEYYUVZOMD-UHFFFAOYSA-N 0 0 251.326 2.606 20 10 CFCDRN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000289996045 520413731 /nfs/dbraw/zinc/41/37/31/520413731.db2.gz XVVATPVPQAGJKG-GFCCVEGCSA-N 0 0 295.383 2.510 20 10 CFCDRN CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272402906 520414920 /nfs/dbraw/zinc/41/49/20/520414920.db2.gz IBTRJHSBGRMHPJ-GQCTYLIASA-N 0 0 289.253 2.522 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn[nH]c1 ZINC000282466666 520546725 /nfs/dbraw/zinc/54/67/25/520546725.db2.gz KJYNKCDMXNZLBD-UHFFFAOYSA-N 0 0 273.336 2.558 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC ZINC000282663565 520547326 /nfs/dbraw/zinc/54/73/26/520547326.db2.gz RKLHFKUPIUGIPK-UHFFFAOYSA-N 0 0 250.342 2.724 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CC(C)(C)O ZINC000282501503 520547876 /nfs/dbraw/zinc/54/78/76/520547876.db2.gz NMRFCAMQOCVLGU-UHFFFAOYSA-N 0 0 279.380 2.682 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)F)cc1 ZINC000179313165 520894876 /nfs/dbraw/zinc/89/48/76/520894876.db2.gz DFZSJBAOBFLZHN-UHFFFAOYSA-N 0 0 266.360 2.897 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ncc(C)o2)cc1 ZINC000291770503 520906139 /nfs/dbraw/zinc/90/61/39/520906139.db2.gz NPHNSRSXGGSKCP-UHFFFAOYSA-N 0 0 287.363 2.759 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H](C(=O)OC)C2CC2)cc1 ZINC000276523801 520909377 /nfs/dbraw/zinc/90/93/77/520909377.db2.gz VNXXBPYNYWMPRY-MRXNPFEDSA-N 0 0 290.407 2.574 20 10 CFCDRN CCN(CC)c1ccc(CNc2n[nH]c(C)n2)cc1 ZINC000276276412 520911746 /nfs/dbraw/zinc/91/17/46/520911746.db2.gz DLZWWPZBGQZGPM-UHFFFAOYSA-N 0 0 259.357 2.571 20 10 CFCDRN CCCCSCCC(=O)NCc1ccccc1O ZINC000265817159 520950719 /nfs/dbraw/zinc/95/07/19/520950719.db2.gz KFUSJTKOXUYUMK-UHFFFAOYSA-N 0 0 267.394 2.932 20 10 CFCDRN CCCC[C@@H](C(=O)OC)N(C)Cc1ccccc1O ZINC000072629617 520983335 /nfs/dbraw/zinc/98/33/35/520983335.db2.gz GDBSPRLQWOQFBJ-ZDUSSCGKSA-N 0 0 265.353 2.556 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nc(C)no2)cc1 ZINC000299393771 521027784 /nfs/dbraw/zinc/02/77/84/521027784.db2.gz KKDUEVGZOAGTAP-UHFFFAOYSA-N 0 0 261.325 2.803 20 10 CFCDRN CCCC[C@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000156619565 521161383 /nfs/dbraw/zinc/16/13/83/521161383.db2.gz OAPGURHZZRMVEB-ZDUSSCGKSA-N 0 0 279.380 2.973 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CC1 ZINC000298326402 521318891 /nfs/dbraw/zinc/31/88/91/521318891.db2.gz NJRBKIJRYNAICH-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN CCOc1cccc(CNc2cn(C)nc2CC)c1O ZINC000222948499 521377918 /nfs/dbraw/zinc/37/79/18/521377918.db2.gz NKDLYZKQQRZVEP-UHFFFAOYSA-N 0 0 275.352 2.699 20 10 CFCDRN CCC(CC)N(CC)C(=O)c1cccc(O)c1O ZINC000292064282 521549219 /nfs/dbraw/zinc/54/92/19/521549219.db2.gz GZJFPNLXIYKWMI-UHFFFAOYSA-N 0 0 251.326 2.749 20 10 CFCDRN CCCc1nnc(NC(=O)NCc2ccccc2O)s1 ZINC000299543630 521564098 /nfs/dbraw/zinc/56/40/98/521564098.db2.gz WEGOEDJAIIYPBA-UHFFFAOYSA-N 0 0 292.364 2.518 20 10 CFCDRN CCOCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000263998092 521673013 /nfs/dbraw/zinc/67/30/13/521673013.db2.gz QKLFCRVUPIRAGG-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NOCCSC ZINC000280534733 521688504 /nfs/dbraw/zinc/68/85/04/521688504.db2.gz NWEZEQQWQUURHS-UHFFFAOYSA-N 0 0 298.408 2.608 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccsn1 ZINC000295244428 521690151 /nfs/dbraw/zinc/69/01/51/521690151.db2.gz MAPHXPZFSVBMKR-UHFFFAOYSA-N 0 0 276.361 2.901 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278309612 521868767 /nfs/dbraw/zinc/86/87/67/521868767.db2.gz DTESIBFPFCWUSP-NSHDSACASA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278238713 521874545 /nfs/dbraw/zinc/87/45/45/521874545.db2.gz NQGQPIXHCOXPFK-GHMZBOCLSA-N 0 0 294.351 2.929 20 10 CFCDRN CC[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000299392232 521916079 /nfs/dbraw/zinc/91/60/79/521916079.db2.gz SZWAMCLZVYMGMA-GFCCVEGCSA-N 0 0 260.381 2.731 20 10 CFCDRN CCc1cncc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000279620464 522058009 /nfs/dbraw/zinc/05/80/09/522058009.db2.gz ZVOIMIPYTJYDAP-UHFFFAOYSA-N 0 0 270.332 2.622 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277047000 522136371 /nfs/dbraw/zinc/13/63/71/522136371.db2.gz GSZKBPRAKBNBJY-MRVPVSSYSA-N 0 0 285.290 2.627 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277047005 522136578 /nfs/dbraw/zinc/13/65/78/522136578.db2.gz GSZKBPRAKBNBJY-QMMMGPOBSA-N 0 0 285.290 2.627 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000094949409 522143815 /nfs/dbraw/zinc/14/38/15/522143815.db2.gz USBOCNLHWAUECM-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2(CCF)CC2)cc1 ZINC000289289722 522162245 /nfs/dbraw/zinc/16/22/45/522162245.db2.gz AYUBWHCBTFUCRJ-UHFFFAOYSA-N 0 0 278.371 2.851 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3nccnc3n2)cc1 ZINC000301065454 522214739 /nfs/dbraw/zinc/21/47/39/522214739.db2.gz DDLPAGSMLKMIJH-UHFFFAOYSA-N 0 0 279.347 2.703 20 10 CFCDRN COC[C@@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000080239821 522364212 /nfs/dbraw/zinc/36/42/12/522364212.db2.gz VUHZADYCOXZZGJ-OAHLLOKOSA-N 0 0 274.364 2.823 20 10 CFCDRN COC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279746443 522460715 /nfs/dbraw/zinc/46/07/15/522460715.db2.gz PMWNNCVLZFRJNR-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H]3CCC[C@H]32)c1O ZINC000228630993 522537985 /nfs/dbraw/zinc/53/79/85/522537985.db2.gz AFQCENVBOJPSGX-OLZOCXBDSA-N 0 0 297.782 2.808 20 10 CFCDRN CNc1c(Cl)ncnc1N(C)Cc1ccccc1O ZINC000302659124 522542616 /nfs/dbraw/zinc/54/26/16/522542616.db2.gz ORFRLKBHWVONKL-UHFFFAOYSA-N 0 0 278.743 2.514 20 10 CFCDRN COc1cc(N(C)C[C@@H]2CCC=CO2)cc(OC)c1OC ZINC000194601270 522618979 /nfs/dbraw/zinc/61/89/79/522618979.db2.gz FMHWBNJVSUJVJT-ZDUSSCGKSA-N 0 0 293.363 2.841 20 10 CFCDRN COc1cc(N(C)Cc2ccn(C)c2)cc(OC)c1OC ZINC000272507800 522621983 /nfs/dbraw/zinc/62/19/83/522621983.db2.gz IMOSHBBYPMLDTL-UHFFFAOYSA-N 0 0 290.363 2.687 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000285511875 522688823 /nfs/dbraw/zinc/68/88/23/522688823.db2.gz ARHAGPBVZYXVAN-GWCFXTLKSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000275723344 522745095 /nfs/dbraw/zinc/74/50/95/522745095.db2.gz OBXNKBWTCNSYRW-DOMZBBRYSA-N 0 0 287.411 2.683 20 10 CFCDRN C[N@H+](CCCn1ccnc1)Cc1cccc(Cl)c1[O-] ZINC000290395846 522803754 /nfs/dbraw/zinc/80/37/54/522803754.db2.gz JCHPBZATHVWTEL-UHFFFAOYSA-N 0 0 279.771 2.764 20 10 CFCDRN COCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000263929820 522941529 /nfs/dbraw/zinc/94/15/29/522941529.db2.gz SSVHHRMOMIPVOO-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN COCc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879827 523075858 /nfs/dbraw/zinc/07/58/58/523075858.db2.gz UNDLAKMINVCDAU-UHFFFAOYSA-N 0 0 287.315 2.879 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(OC)c1O ZINC000132288796 523150571 /nfs/dbraw/zinc/15/05/71/523150571.db2.gz JCBNDFOJJRDBEZ-WCQYABFASA-N 0 0 292.379 2.779 20 10 CFCDRN COCc1nc(CN[C@H](C)c2ccc(F)cc2O)cs1 ZINC000289570215 523206293 /nfs/dbraw/zinc/20/62/93/523206293.db2.gz AXCJHEOLHIREQN-SECBINFHSA-N 0 0 296.367 2.985 20 10 CFCDRN COCc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000271645423 523207331 /nfs/dbraw/zinc/20/73/31/523207331.db2.gz HZEIHDGGIYKFFV-SNVBAGLBSA-N 0 0 278.377 2.846 20 10 CFCDRN COCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000062032533 523228378 /nfs/dbraw/zinc/22/83/78/523228378.db2.gz HRHRFRQUTWSPEW-UHFFFAOYSA-N 0 0 285.771 2.717 20 10 CFCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000153794929 523322478 /nfs/dbraw/zinc/32/24/78/523322478.db2.gz RGMJRRVZNKJRQF-CYBMUJFWSA-N 0 0 275.396 2.694 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCCc1ccccn1 ZINC000178438991 523381241 /nfs/dbraw/zinc/38/12/41/523381241.db2.gz CKVLBLKVBNVNIR-UHFFFAOYSA-N 0 0 299.374 2.561 20 10 CFCDRN CCn1cc(NCc2cc(Cl)cc(OC)c2O)cn1 ZINC000228676793 523436156 /nfs/dbraw/zinc/43/61/56/523436156.db2.gz WAAVWPXXNGBJAT-UHFFFAOYSA-N 0 0 281.743 2.883 20 10 CFCDRN CCn1ncnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000278948494 523749745 /nfs/dbraw/zinc/74/97/45/523749745.db2.gz YNINTHYJEUHNJZ-UHFFFAOYSA-N 0 0 274.368 2.722 20 10 CFCDRN CN1CCCc2cc(CNC(=O)Nc3ccccn3)ccc21 ZINC000058516738 523862127 /nfs/dbraw/zinc/86/21/27/523862127.db2.gz XEPBYSSIKPTPGS-UHFFFAOYSA-N 0 0 296.374 2.786 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069633757 523979095 /nfs/dbraw/zinc/97/90/95/523979095.db2.gz SITHGSLFDBZYIU-LBPRGKRZSA-N 0 0 275.396 2.667 20 10 CFCDRN COc1ccc(CNC(C)(C)c2noc(C)n2)cc1C ZINC000264417467 524068990 /nfs/dbraw/zinc/06/89/90/524068990.db2.gz RVKXPFWTNIIFRC-UHFFFAOYSA-N 0 0 275.352 2.720 20 10 CFCDRN CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000173882232 524076616 /nfs/dbraw/zinc/07/66/16/524076616.db2.gz QITXXKFXXZMUFV-UHFFFAOYSA-N 0 0 262.353 2.866 20 10 CFCDRN Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1ccccc1C ZINC000128365666 524087231 /nfs/dbraw/zinc/08/72/31/524087231.db2.gz QFZKSKPAWIWHQO-CYBMUJFWSA-N 0 0 286.375 2.513 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000235690943 524205287 /nfs/dbraw/zinc/20/52/87/524205287.db2.gz SOPPITKGIFMNHD-WFASDCNBSA-N 0 0 260.381 2.896 20 10 CFCDRN C[C@@H](C1CC1)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000237507787 524310177 /nfs/dbraw/zinc/31/01/77/524310177.db2.gz VLVCTVBFWINUGI-NSHDSACASA-N 0 0 258.365 2.601 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627513 524311476 /nfs/dbraw/zinc/31/14/76/524311476.db2.gz SBRKVQAWAKWQJN-RKDXNWHRSA-N 0 0 267.300 2.545 20 10 CFCDRN COc1ccc(N(C)CCC2CCOCC2)c(OC)c1 ZINC000292992401 524350267 /nfs/dbraw/zinc/35/02/67/524350267.db2.gz SBACVXMDEDYLKJ-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2)c(OC)c1 ZINC000279760215 524353436 /nfs/dbraw/zinc/35/34/36/524353436.db2.gz RJGGGFIAYCZNRH-MRXNPFEDSA-N 0 0 287.359 2.874 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)C)c(OC)c1 ZINC000279722008 524355283 /nfs/dbraw/zinc/35/52/83/524355283.db2.gz LYRIQOFOVMKFHB-UHFFFAOYSA-N 0 0 290.367 2.513 20 10 CFCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1F ZINC000084814363 524405994 /nfs/dbraw/zinc/40/59/94/524405994.db2.gz GUJTYUVXSJSYEB-UHFFFAOYSA-N 0 0 294.370 2.529 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC12CCC2 ZINC000297670054 524479504 /nfs/dbraw/zinc/47/95/04/524479504.db2.gz ZTKTXMUCGSKPKG-SNVBAGLBSA-N 0 0 293.338 2.889 20 10 CFCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])N(C)C1CC1 ZINC000224805789 524487571 /nfs/dbraw/zinc/48/75/71/524487571.db2.gz ZQLRNLVBCHFKHZ-SNVBAGLBSA-N 0 0 268.788 2.618 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cc(Cl)nc(N)n2)c1 ZINC000301192362 524767236 /nfs/dbraw/zinc/76/72/36/524767236.db2.gz MFLAQOIHLBLTNQ-SSDOTTSWSA-N 0 0 294.742 2.600 20 10 CFCDRN COc1ccc(O)c([C@H](C)N2CC(n3cc(C)cn3)C2)c1 ZINC000372490180 524768645 /nfs/dbraw/zinc/76/86/45/524768645.db2.gz JNTGDIZPHGCSSO-LBPRGKRZSA-N 0 0 287.363 2.524 20 10 CFCDRN C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271854689 524780996 /nfs/dbraw/zinc/78/09/96/524780996.db2.gz UQOWEYWFGPPDIL-QWRGUYRKSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000077422450 524812286 /nfs/dbraw/zinc/81/22/86/524812286.db2.gz NBTRTZHXHHKJBE-JGVFFNPUSA-N 0 0 278.179 2.806 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCn3cnnc3[C@H]2C)c1O ZINC000276854349 524864160 /nfs/dbraw/zinc/86/41/60/524864160.db2.gz VLUHNUILXZKGME-SNVBAGLBSA-N 0 0 292.770 2.522 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CC1 ZINC000291684297 524893607 /nfs/dbraw/zinc/89/36/07/524893607.db2.gz NGGKYWGFYJFGHN-JTQLQIEISA-N 0 0 277.364 2.581 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncnc(N)c1Cl ZINC000302905419 525021143 /nfs/dbraw/zinc/02/11/43/525021143.db2.gz SLPOLIGDRRMQFH-UHFFFAOYSA-N 0 0 291.786 2.699 20 10 CFCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000158306838 525351169 /nfs/dbraw/zinc/35/11/69/525351169.db2.gz IUMUOURWLLZRSJ-INWMFGNUSA-N 0 0 272.392 2.991 20 10 CFCDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277201850 525394362 /nfs/dbraw/zinc/39/43/62/525394362.db2.gz VRRSWFSKYFUERM-SSDOTTSWSA-N 0 0 272.251 2.749 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCN2C)c1nccs1 ZINC000080265220 525451009 /nfs/dbraw/zinc/45/10/09/525451009.db2.gz JWZJINFRUOLGKF-NSHDSACASA-N 0 0 273.405 2.986 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379995 525455959 /nfs/dbraw/zinc/45/59/59/525455959.db2.gz BYRHKMORYGLKGQ-YPMHNXCESA-N 0 0 294.351 2.910 20 10 CFCDRN CSCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273558534 525482207 /nfs/dbraw/zinc/48/22/07/525482207.db2.gz HMTDICBDQKHQMQ-SECBINFHSA-N 0 0 270.354 2.704 20 10 CFCDRN C[C@@H](NCc1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000183857289 525566559 /nfs/dbraw/zinc/56/65/59/525566559.db2.gz MDPNPRGVPZQNNK-CYBMUJFWSA-N 0 0 299.422 2.531 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000063000752 525595417 /nfs/dbraw/zinc/59/54/17/525595417.db2.gz IPJYVHOYGRMZMW-XHDPSFHLSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(F)c(F)c1[O-] ZINC000276854688 525602370 /nfs/dbraw/zinc/60/23/70/525602370.db2.gz BQNXVJPVEQTNRE-VHSXEESVSA-N 0 0 281.306 2.606 20 10 CFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)cnn1C(C)(C)C ZINC000160333566 525656957 /nfs/dbraw/zinc/65/69/57/525656957.db2.gz KZBQFYGHQCDADK-UHFFFAOYSA-N 0 0 272.352 2.781 20 10 CFCDRN C[C@@H](O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000276398122 525736116 /nfs/dbraw/zinc/73/61/16/525736116.db2.gz TVLSRFHWGCLMSU-ZIAGYGMSSA-N 0 0 299.370 2.863 20 10 CFCDRN COc1cccc(CCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237375678 525881889 /nfs/dbraw/zinc/88/18/89/525881889.db2.gz XVIRPNHESXDXJO-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)C(C)(F)F ZINC000293384088 525941214 /nfs/dbraw/zinc/94/12/14/525941214.db2.gz MXIGNERUDNTFHU-SECBINFHSA-N 0 0 257.280 2.642 20 10 CFCDRN COc1cccc(CNC(=O)C2CCCCCC2)c1O ZINC000105650737 525963999 /nfs/dbraw/zinc/96/39/99/525963999.db2.gz HKUMMNUDIGKMMM-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)C2)c1O ZINC000073744737 525989931 /nfs/dbraw/zinc/98/99/31/525989931.db2.gz WWNUMRMKPIKHIY-DGCLKSJQSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CCCC2(C)C)c1O ZINC000274913922 525995251 /nfs/dbraw/zinc/99/52/51/525995251.db2.gz HSXINYIPPSKOHE-LBPRGKRZSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)nc1C ZINC000299183565 526063411 /nfs/dbraw/zinc/06/34/11/526063411.db2.gz ZSCWCWWEWBVGMC-UHFFFAOYSA-N 0 0 270.332 2.676 20 10 CFCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)(F)F ZINC000293067176 526081149 /nfs/dbraw/zinc/08/11/49/526081149.db2.gz SOXMZVSLGURSTM-LLVKDONJSA-N 0 0 296.361 2.977 20 10 CFCDRN COc1cccc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000302612452 526131487 /nfs/dbraw/zinc/13/14/87/526131487.db2.gz FEZIPODZJMTFAX-UHFFFAOYSA-N 0 0 288.303 2.945 20 10 CFCDRN Cc1ccc(C(=O)NCCSC(C)(C)C)c(O)c1O ZINC000272835877 526169028 /nfs/dbraw/zinc/16/90/28/526169028.db2.gz QNNCOXGEKZCLSN-UHFFFAOYSA-N 0 0 283.393 2.668 20 10 CFCDRN CSc1cncc(N(C)Cc2ccccc2O)n1 ZINC000302635059 526203596 /nfs/dbraw/zinc/20/35/96/526203596.db2.gz KDPQWYJVWJRNLX-UHFFFAOYSA-N 0 0 261.350 2.541 20 10 CFCDRN O=C(C=C1CCC1)NCc1c(O)ccc2c1CCCC2 ZINC000156342081 526316080 /nfs/dbraw/zinc/31/60/80/526316080.db2.gz RLYINKQOOUDZEL-UHFFFAOYSA-N 0 0 271.360 2.998 20 10 CFCDRN O=C(CC(F)(F)F)NCc1c(O)ccc2c1CCCC2 ZINC000174515499 526321829 /nfs/dbraw/zinc/32/18/29/526321829.db2.gz SWKNLBIQFGVGBL-UHFFFAOYSA-N 0 0 287.281 2.840 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]CC1=CCCOC1 ZINC000278359435 526324035 /nfs/dbraw/zinc/32/40/35/526324035.db2.gz JLJHOVOXXKXPNR-UHFFFAOYSA-N 0 0 298.180 2.591 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000071299674 526327299 /nfs/dbraw/zinc/32/72/99/526327299.db2.gz UMSCAIAADXELCH-NSHDSACASA-N 0 0 276.163 2.560 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290559414 526331782 /nfs/dbraw/zinc/33/17/82/526331782.db2.gz SFVPGHMHWFXTMK-NUEKZKHPSA-N 0 0 269.319 2.959 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000294271644 526332229 /nfs/dbraw/zinc/33/22/29/526332229.db2.gz OLTGZICKCYMPSI-UHFFFAOYSA-N 0 0 283.734 2.561 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000293872528 526333353 /nfs/dbraw/zinc/33/33/53/526333353.db2.gz JECUQVQSXDCMFG-LLVKDONJSA-N 0 0 295.745 2.828 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365839750 526344224 /nfs/dbraw/zinc/34/42/24/526344224.db2.gz VOQWQGGAUMHXOI-SNVBAGLBSA-N 0 0 295.745 2.828 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000365158675 526347312 /nfs/dbraw/zinc/34/73/12/526347312.db2.gz SXJDENCYXJRVSU-XTWCZFFVSA-N 0 0 285.746 2.842 20 10 CFCDRN Oc1ccc2c(c1CNc1ncnc3n[nH]cc31)CCCC2 ZINC000266231326 526354822 /nfs/dbraw/zinc/35/48/22/526354822.db2.gz JPDVUOQEOAKHPA-UHFFFAOYSA-N 0 0 295.346 2.549 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1=COCCC1 ZINC000068414106 526680712 /nfs/dbraw/zinc/68/07/12/526680712.db2.gz NRWXYXNRKGQCPS-UHFFFAOYSA-N 0 0 286.375 2.597 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2c(s1)CCC2 ZINC000133933681 526756017 /nfs/dbraw/zinc/75/60/17/526756017.db2.gz WCXUUFFNENPQCG-UHFFFAOYSA-N 0 0 273.357 2.872 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCC(C)(C)O ZINC000264123668 527017192 /nfs/dbraw/zinc/01/71/92/527017192.db2.gz VPOJKPFBKXIEMN-UHFFFAOYSA-N 0 0 262.378 2.950 20 10 CFCDRN O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(O)c1O ZINC000193142135 527096337 /nfs/dbraw/zinc/09/63/37/527096337.db2.gz YVPXWHILEKLWAU-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000036826037 527475723 /nfs/dbraw/zinc/47/57/23/527475723.db2.gz QJMYFHAIZKIBKX-GOEBONIOSA-N 0 0 272.392 2.993 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000036799060 527475918 /nfs/dbraw/zinc/47/59/18/527475918.db2.gz VXDBFZSSLJWXGE-MRXNPFEDSA-N 0 0 281.359 2.570 20 10 CFCDRN Nc1ccc(CCNC(=O)c2cc3c(s2)CCC3)cc1 ZINC000040675624 527480746 /nfs/dbraw/zinc/48/07/46/527480746.db2.gz ZFMOJTYNFDFLRW-UHFFFAOYSA-N 0 0 286.400 2.792 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1 ZINC000493611590 534995782 /nfs/dbraw/zinc/99/57/82/534995782.db2.gz CEMTWBQGZDJNJI-WTKPLQERSA-N 0 0 297.358 2.940 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)C=CCC1 ZINC000935309504 649896385 /nfs/dbraw/zinc/89/63/85/649896385.db2.gz CPPOMOFWICWWRO-BZNIZROVSA-N 0 0 275.348 2.501 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)C=CCC1 ZINC000935309505 649896514 /nfs/dbraw/zinc/89/65/14/649896514.db2.gz CPPOMOFWICWWRO-MEDUHNTESA-N 0 0 275.348 2.501 20 10 CFCDRN COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC000730281756 574070518 /nfs/dbraw/zinc/07/05/18/574070518.db2.gz VAPQJCXNDNUEPF-CVEARBPZSA-N 0 0 297.354 2.821 20 10 CFCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccccc1 ZINC000730673316 574091550 /nfs/dbraw/zinc/09/15/50/574091550.db2.gz WRBWDAGTJFSAHV-LBPRGKRZSA-N 0 0 270.332 2.953 20 10 CFCDRN COc1ccc(N(C)Cc2cscn2)cc1OC ZINC000728387297 574094965 /nfs/dbraw/zinc/09/49/65/574094965.db2.gz HAXLWXMDZWHHCA-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN CCN(CCc1nccs1)C(=O)C1=CC(=O)CS1 ZINC000754495886 574098399 /nfs/dbraw/zinc/09/83/99/574098399.db2.gz DBYDOHFYBFLDHV-UHFFFAOYSA-N 0 0 282.390 2.615 20 10 CFCDRN CO[C@]1(C)C[C@H](N(C)C(=O)C2=CC(=O)CS2)C1(C)C ZINC000754908422 574127221 /nfs/dbraw/zinc/12/72/21/574127221.db2.gz VKAJTUJFWAHPKK-SMDDNHRTSA-N 0 0 283.393 2.729 20 10 CFCDRN O=C(NCc1ccc(OC(F)F)cc1)C1=CC(=O)CS1 ZINC000731864660 574130884 /nfs/dbraw/zinc/13/08/84/574130884.db2.gz BTXLUPVFBRLOKZ-UHFFFAOYSA-N 0 0 299.298 2.985 20 10 CFCDRN COc1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000731863958 574130928 /nfs/dbraw/zinc/13/09/28/574130928.db2.gz GWIFVBNBFLKZNX-UHFFFAOYSA-N 0 0 277.345 2.735 20 10 CFCDRN COCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731869920 574131229 /nfs/dbraw/zinc/13/12/29/574131229.db2.gz YTMUGKZTJJOZHY-UHFFFAOYSA-N 0 0 293.344 2.731 20 10 CFCDRN O=C(NCc1ccccc1F)C1=CC(=O)CS1 ZINC000731865320 574131502 /nfs/dbraw/zinc/13/15/02/574131502.db2.gz BDGCJTUQHOVSPV-UHFFFAOYSA-N 0 0 251.282 2.523 20 10 CFCDRN O=C(Nc1ccc(N2CCCC2)cn1)C1=CC(=O)CS1 ZINC000731868308 574132916 /nfs/dbraw/zinc/13/29/16/574132916.db2.gz BQPLOGPEQSXVEI-UHFFFAOYSA-N 0 0 289.360 2.701 20 10 CFCDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CC(=O)CS1 ZINC000731909589 574133256 /nfs/dbraw/zinc/13/32/56/574133256.db2.gz FHIGDNFPUCKGCI-UHFFFAOYSA-N 0 0 279.273 2.719 20 10 CFCDRN COc1ccc(N2CCN(Cc3ccc(C)cn3)CC2)cc1 ZINC000746146479 574137299 /nfs/dbraw/zinc/13/72/99/574137299.db2.gz GUIQUJNGHKZMJJ-UHFFFAOYSA-N 0 0 297.402 2.721 20 10 CFCDRN CCN(CC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC000728917441 574137449 /nfs/dbraw/zinc/13/74/49/574137449.db2.gz FIGCCSNLCFQQOJ-UHFFFAOYSA-N 0 0 265.353 2.863 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N[C@@H](C)CC)cc1 ZINC000746159078 574137595 /nfs/dbraw/zinc/13/75/95/574137595.db2.gz NIBQWXPGMMMITJ-ZDUSSCGKSA-N 0 0 278.396 2.826 20 10 CFCDRN C[C@@H](c1ccccn1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732278097 574149632 /nfs/dbraw/zinc/14/96/32/574149632.db2.gz FYVMGKOJHOOZPZ-VIFPVBQESA-N 0 0 262.334 2.682 20 10 CFCDRN Cc1csc([C@@H](C)NC(=O)C2=CC(=O)CS2)n1 ZINC000732284088 574150033 /nfs/dbraw/zinc/15/00/33/574150033.db2.gz JPRUUGQXGDCPHD-SSDOTTSWSA-N 0 0 268.363 2.710 20 10 CFCDRN O=C(N[C@H]1CCc2c1cccc2O)C1=CC(=O)CS1 ZINC000732285545 574150230 /nfs/dbraw/zinc/15/02/30/574150230.db2.gz JGHXVVDOAHXNJB-NSHDSACASA-N 0 0 275.329 2.577 20 10 CFCDRN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1=CC(=O)CS1 ZINC000732352687 574152580 /nfs/dbraw/zinc/15/25/80/574152580.db2.gz BXZBVGABNHAKNX-UHFFFAOYSA-N 0 0 293.300 2.761 20 10 CFCDRN COC(=O)c1ccc([C@H](C)OC(=O)C2=CC(=O)CS2)o1 ZINC000732352659 574152628 /nfs/dbraw/zinc/15/26/28/574152628.db2.gz AWUIFQQTDFOJCQ-ZETCQYMHSA-N 0 0 296.300 2.751 20 10 CFCDRN COC(=O)c1cccc(COC(=O)C2=CC(=O)CS2)c1 ZINC000732352794 574152754 /nfs/dbraw/zinc/15/27/54/574152754.db2.gz HCTVGQOYQPPMNK-UHFFFAOYSA-N 0 0 292.312 2.597 20 10 CFCDRN O=C(OCc1csc([N+](=O)[O-])c1)C1=CC(=O)CS1 ZINC000732353186 574152886 /nfs/dbraw/zinc/15/28/86/574152886.db2.gz NJROPCROXBREGK-UHFFFAOYSA-N 0 0 285.302 2.780 20 10 CFCDRN O=C(OCCCOCC(F)(F)F)C1=CC(=O)CS1 ZINC000732354931 574153360 /nfs/dbraw/zinc/15/33/60/574153360.db2.gz WZEVOWPUHWQGMQ-UHFFFAOYSA-N 0 0 284.255 2.580 20 10 CFCDRN CCc1noc(C)c1NC(=O)C1=CC(=O)CS1 ZINC000755322503 574153741 /nfs/dbraw/zinc/15/37/41/574153741.db2.gz RWJBOGZIKZDNOT-UHFFFAOYSA-N 0 0 252.295 2.565 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2ncc[nH]2)cc1 ZINC000738299516 574162928 /nfs/dbraw/zinc/16/29/28/574162928.db2.gz QDAARPQBDVZYDE-UHFFFAOYSA-N 0 0 272.396 2.888 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2cccnc2)cc1F ZINC000746802919 574166866 /nfs/dbraw/zinc/16/68/66/574166866.db2.gz CRPZVOIGHKNQPN-VURMDHGXSA-N 0 0 299.349 2.616 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1F ZINC000746802918 574166937 /nfs/dbraw/zinc/16/69/37/574166937.db2.gz CRPZVOIGHKNQPN-SOFGYWHQSA-N 0 0 299.349 2.616 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])C(C)C)cc1C ZINC000738463891 574170163 /nfs/dbraw/zinc/17/01/63/574170163.db2.gz SFNGGUIHXAKJPB-UHFFFAOYSA-N 0 0 265.353 2.694 20 10 CFCDRN CCS[C@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000755831639 574191056 /nfs/dbraw/zinc/19/10/56/574191056.db2.gz HTBOHMWLQSZEOS-UWVGGRQHSA-N 0 0 271.407 2.858 20 10 CFCDRN COCC(C)(C)CN(C)c1ccc(OC)c(F)c1 ZINC000756098749 574209423 /nfs/dbraw/zinc/20/94/23/574209423.db2.gz FYAKCCKORCDHOS-UHFFFAOYSA-N 0 0 255.333 2.943 20 10 CFCDRN CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360402 574209932 /nfs/dbraw/zinc/20/99/32/574209932.db2.gz UWTUAOOBNHZERI-ZDUSSCGKSA-N 0 0 292.379 2.604 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 ZINC000729422479 574214654 /nfs/dbraw/zinc/21/46/54/574214654.db2.gz CNBHNPGNVRYOCV-FWWRYZNZSA-N 0 0 279.343 2.715 20 10 CFCDRN C[N@H+](CCCNC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000739681500 574222948 /nfs/dbraw/zinc/22/29/48/574222948.db2.gz FNAJJIZNNQHMBF-UHFFFAOYSA-N 0 0 288.347 2.635 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccccc1O ZINC000733360290 574224379 /nfs/dbraw/zinc/22/43/79/574224379.db2.gz GYZLPSIMDJSXST-IUODEOHRSA-N 0 0 277.364 2.604 20 10 CFCDRN C[C@H]([NH2+]CCc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756344792 574227056 /nfs/dbraw/zinc/22/70/56/574227056.db2.gz SIWMHVOBUYDVMN-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC1CCCC1 ZINC000748099283 574229462 /nfs/dbraw/zinc/22/94/62/574229462.db2.gz LRKGXNSKVGAVHS-ZDUSSCGKSA-N 0 0 290.407 2.717 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccco2)c1 ZINC000756370396 574230442 /nfs/dbraw/zinc/23/04/42/574230442.db2.gz GSHLBIONQQYZRD-NSHDSACASA-N 0 0 289.331 2.665 20 10 CFCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(F)F)sc2n1 ZINC000733418533 574231182 /nfs/dbraw/zinc/23/11/82/574231182.db2.gz QXDDTJZLRLZIRV-UHFFFAOYSA-N 0 0 286.303 2.917 20 10 CFCDRN Cc1nc(C(C)(C)NCc2cc(Cl)ccc2O)no1 ZINC000729854918 574234293 /nfs/dbraw/zinc/23/42/93/574234293.db2.gz IFYGYXSMRFWAPZ-UHFFFAOYSA-N 0 0 281.743 2.762 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccoc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756447961 574238044 /nfs/dbraw/zinc/23/80/44/574238044.db2.gz ZIMBZFUGJMUZLL-SECBINFHSA-N 0 0 262.265 2.744 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(F)cc(F)c1[O-] ZINC000756494809 574241242 /nfs/dbraw/zinc/24/12/42/574241242.db2.gz NZEFEPCLVXTLQK-VHSXEESVSA-N 0 0 293.317 2.742 20 10 CFCDRN O=C(OCCc1cccs1)C1=CC(=O)CS1 ZINC000733497095 574242232 /nfs/dbraw/zinc/24/22/32/574242232.db2.gz RESVTMQRQRMKKS-UHFFFAOYSA-N 0 0 254.332 2.915 20 10 CFCDRN CC(C)N(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527474 574243768 /nfs/dbraw/zinc/24/37/68/574243768.db2.gz YJMZUYNIZQJQJH-JTQLQIEISA-N 0 0 272.339 2.661 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756551781 574246496 /nfs/dbraw/zinc/24/64/96/574246496.db2.gz XWSWLIQGFUKGLM-VHSXEESVSA-N 0 0 284.350 2.804 20 10 CFCDRN O=C(NCc1nc2c(s1)CCCC2)C1=CC(=O)CS1 ZINC000748307802 574246808 /nfs/dbraw/zinc/24/68/08/574246808.db2.gz OZRRDLWKHKVXDO-UHFFFAOYSA-N 0 0 294.401 2.719 20 10 CFCDRN Cn1cc(CC(=O)NCc2ccccc2O)c2ccccc21 ZINC000748345446 574247666 /nfs/dbraw/zinc/24/76/66/574247666.db2.gz CFEMZVXAOPJNHQ-UHFFFAOYSA-N 0 0 294.354 2.743 20 10 CFCDRN C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000748347138 574247903 /nfs/dbraw/zinc/24/79/03/574247903.db2.gz XAZPZVJPJHACIN-LLVKDONJSA-N 0 0 289.306 2.615 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000748349349 574248599 /nfs/dbraw/zinc/24/85/99/574248599.db2.gz FHSVCPBWSZERSK-GJZGRUSLSA-N 0 0 285.318 2.951 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574647 574249455 /nfs/dbraw/zinc/24/94/55/574249455.db2.gz FGUHYBHBHBWIDE-FIXISWKDSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756584587 574250469 /nfs/dbraw/zinc/25/04/69/574250469.db2.gz GRMRHXQRPIUKQO-QMMMGPOBSA-N 0 0 267.279 2.553 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCSC)c1 ZINC000756587173 574250551 /nfs/dbraw/zinc/25/05/51/574250551.db2.gz ZLRDOKYFXGKJBL-GHMZBOCLSA-N 0 0 297.420 2.971 20 10 CFCDRN CC[C@H](COC)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756589949 574251069 /nfs/dbraw/zinc/25/10/69/574251069.db2.gz BZICGYIQVMNILA-WCBMZHEXSA-N 0 0 259.296 2.746 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]1Cc1ccccc1 ZINC000748421478 574251450 /nfs/dbraw/zinc/25/14/50/574251450.db2.gz PVGKVOQSILZVLS-LBPRGKRZSA-N 0 0 273.357 2.911 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756623193 574252606 /nfs/dbraw/zinc/25/26/06/574252606.db2.gz AXFOLJVRVPDNEN-SDDRHHMPSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756646953 574254997 /nfs/dbraw/zinc/25/49/97/574254997.db2.gz QYHXAFKDLHOUQA-WOPDTQHZSA-N 0 0 294.351 2.766 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756650235 574255339 /nfs/dbraw/zinc/25/53/39/574255339.db2.gz UUBRQAXFNCMYQW-OWYVNGRQSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756646775 574255371 /nfs/dbraw/zinc/25/53/71/574255371.db2.gz PFJKFCZEWWDJKI-WOPDTQHZSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1 ZINC000733806499 574256930 /nfs/dbraw/zinc/25/69/30/574256930.db2.gz FCVMLCFBOVPUQN-SNVBAGLBSA-N 0 0 277.345 2.651 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC=C(C)CC1 ZINC000756707163 574258320 /nfs/dbraw/zinc/25/83/20/574258320.db2.gz ZQCBXVZFPXGAMW-UHFFFAOYSA-N 0 0 287.407 2.923 20 10 CFCDRN C[C@H](NC(=O)NCc1ccccc1O)C1CCCC1 ZINC000733848362 574258422 /nfs/dbraw/zinc/25/84/22/574258422.db2.gz NMFRWEZEHUMMBU-NSHDSACASA-N 0 0 262.353 2.770 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000756712372 574258702 /nfs/dbraw/zinc/25/87/02/574258702.db2.gz OTSCAUOGXCOWMD-CMPLNLGQSA-N 0 0 277.364 2.876 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756733509 574260241 /nfs/dbraw/zinc/26/02/41/574260241.db2.gz QOKCBWZIADTEKB-GXSJLCMTSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1ncsc1C(=O)NCCCSc1nccs1 ZINC000733884305 574260293 /nfs/dbraw/zinc/26/02/93/574260293.db2.gz QIQGAFKNMRJYCD-UHFFFAOYSA-N 0 0 299.446 2.820 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(F)cc(F)c1[O-] ZINC000756776454 574261910 /nfs/dbraw/zinc/26/19/10/574261910.db2.gz PIUSIQZJLSOFHR-JGVFFNPUSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756780449 574262458 /nfs/dbraw/zinc/26/24/58/574262458.db2.gz UMUAIPYSBJTLKA-MXWKQRLJSA-N 0 0 294.351 2.907 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756786404 574262982 /nfs/dbraw/zinc/26/29/82/574262982.db2.gz LCICPSBTVAMTPJ-JRPNMDOOSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756784560 574262988 /nfs/dbraw/zinc/26/29/88/574262988.db2.gz NXUHPEGHVJVMBQ-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN C[C@H]([NH2+]CCCCCCO)c1cc(F)cc(F)c1[O-] ZINC000756791999 574263476 /nfs/dbraw/zinc/26/34/76/574263476.db2.gz WDUHYEYMIXMGNK-JTQLQIEISA-N 0 0 273.323 2.874 20 10 CFCDRN C[C@@H]1C[C@H](NCc2cocn2)c2c1c(F)ccc2O ZINC000756829781 574266218 /nfs/dbraw/zinc/26/62/18/574266218.db2.gz BUWXNLAKTVCURM-KCJUWKMLSA-N 0 0 262.284 2.857 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000756836464 574266847 /nfs/dbraw/zinc/26/68/47/574266847.db2.gz VRYYFSBFKZXDNU-WRWORJQWSA-N 0 0 281.249 2.759 20 10 CFCDRN COC1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000733968234 574267698 /nfs/dbraw/zinc/26/76/98/574267698.db2.gz RLMIBYOOPJYTLI-UHFFFAOYSA-N 0 0 284.359 2.565 20 10 CFCDRN CCN(C/C=C(\C)C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000748816673 574268756 /nfs/dbraw/zinc/26/87/56/574268756.db2.gz UZSVCBQQNVMMJK-FMIVXFBMSA-N 0 0 293.363 2.649 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCOC[C@H]1CCCO1 ZINC000741244979 574284305 /nfs/dbraw/zinc/28/43/05/574284305.db2.gz MUAZEJVIRVRNOB-MRXNPFEDSA-N 0 0 291.391 2.643 20 10 CFCDRN CCc1cc(CNCc2c(O)cccc2Cl)on1 ZINC000741258531 574284680 /nfs/dbraw/zinc/28/46/80/574284680.db2.gz NLZBRGNOYOXRKG-UHFFFAOYSA-N 0 0 266.728 2.886 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccco1 ZINC000734405885 574285521 /nfs/dbraw/zinc/28/55/21/574285521.db2.gz KYCRYEYJJXQGCI-HJWRWDBZSA-N 0 0 284.359 2.984 20 10 CFCDRN CO[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000749482747 574297731 /nfs/dbraw/zinc/29/77/31/574297731.db2.gz FIIFIZSEOYBGGD-CQSZACIVSA-N 0 0 292.423 2.915 20 10 CFCDRN CCCCOC(=O)[C@H](C)N(C)c1ccc(OC)c(OC)c1 ZINC000741782603 574303122 /nfs/dbraw/zinc/30/31/22/574303122.db2.gz FLKMTFJZRUFYSL-LBPRGKRZSA-N 0 0 295.379 2.872 20 10 CFCDRN Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1ccccn1 ZINC000749641778 574303539 /nfs/dbraw/zinc/30/35/39/574303539.db2.gz RPRKHGPDQRRTFP-UHFFFAOYSA-N 0 0 282.303 2.729 20 10 CFCDRN Cc1ccncc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741915168 574309781 /nfs/dbraw/zinc/30/97/81/574309781.db2.gz MPJVICJLSGJKRE-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Cc1nccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000742397792 574327558 /nfs/dbraw/zinc/32/75/58/574327558.db2.gz VBSMNCHYSSGKQS-ZDUSSCGKSA-N 0 0 298.390 2.795 20 10 CFCDRN Cc1cc(C(=O)OCCO)c(C)n1-c1cc(C)cc(C)c1 ZINC000750410905 574338570 /nfs/dbraw/zinc/33/85/70/574338570.db2.gz GWLBHIYJYASKJO-UHFFFAOYSA-N 0 0 287.359 2.860 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000736018262 574347717 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CCOCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013214926 618457089 /nfs/dbraw/zinc/45/70/89/618457089.db2.gz NZWQWUUJTWFNAG-UHFFFAOYSA-N 0 0 294.376 2.689 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)c(O)c1O ZINC000177660171 618468585 /nfs/dbraw/zinc/46/85/85/618468585.db2.gz ZKYVPZITKPDWFM-CABZTGNLSA-N 0 0 263.337 2.715 20 10 CFCDRN Cn1cc(C=C2SC(=S)NC2=O)c(C2CCCC2)n1 ZINC000901415853 620812221 /nfs/dbraw/zinc/81/22/21/620812221.db2.gz AUVYJLYDMMWEDA-UXBLZVDNSA-N 0 0 293.417 2.567 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895439019 618586161 /nfs/dbraw/zinc/58/61/61/618586161.db2.gz SHRWNADRBOTEHS-CHWSQXEVSA-N 0 0 287.762 2.920 20 10 CFCDRN c1csc(SCCCNc2nccn3cncc23)n1 ZINC000892515129 618604507 /nfs/dbraw/zinc/60/45/07/618604507.db2.gz DVOPMNDQEBZLNW-UHFFFAOYSA-N 0 0 291.405 2.780 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccccc1O ZINC000892527086 618609897 /nfs/dbraw/zinc/60/98/97/618609897.db2.gz ICXRUTOSZSQQKL-DGCLKSJQSA-N 0 0 260.337 2.546 20 10 CFCDRN CSCCCCNC(=O)N(C)Cc1ccccc1O ZINC000077622789 618619659 /nfs/dbraw/zinc/61/96/59/618619659.db2.gz CRACVLKNDPYHIR-UHFFFAOYSA-N 0 0 282.409 2.677 20 10 CFCDRN CC(C)[C@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178197184 618642488 /nfs/dbraw/zinc/64/24/88/618642488.db2.gz RYQNHUZLVGJINZ-AWEZNQCLSA-N 0 0 290.407 2.826 20 10 CFCDRN CCCc1noc(CN[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000182313475 625283847 /nfs/dbraw/zinc/28/38/47/625283847.db2.gz PDBHRXQUPGALBP-JTQLQIEISA-N 0 0 291.351 2.587 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)co1 ZINC000935944657 618713219 /nfs/dbraw/zinc/71/32/19/618713219.db2.gz XVMOEOOGCZSAFF-UHFFFAOYSA-N 0 0 280.320 2.709 20 10 CFCDRN COCc1nccc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000892695544 618715986 /nfs/dbraw/zinc/71/59/86/618715986.db2.gz QWTVLJZHFBQBNB-UHFFFAOYSA-N 0 0 299.374 2.820 20 10 CFCDRN CC(C)CCn1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000236648060 618756359 /nfs/dbraw/zinc/75/63/59/618756359.db2.gz SCNKSOMQJUTUQB-UHFFFAOYSA-N 0 0 286.379 2.693 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1F ZINC000180060690 618858311 /nfs/dbraw/zinc/85/83/11/618858311.db2.gz ZINFNKARYZRJMC-UHFFFAOYSA-N 0 0 293.169 2.702 20 10 CFCDRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000180594573 618865241 /nfs/dbraw/zinc/86/52/41/618865241.db2.gz YLEWWIZQKKSTID-VMPITWQZSA-N 0 0 287.315 2.671 20 10 CFCDRN C[C@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718418 618866894 /nfs/dbraw/zinc/86/68/94/618866894.db2.gz WNEIIEJINGZADA-FVOPLDGLSA-N 0 0 298.342 2.726 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)c(O)c1O ZINC000182421746 625299086 /nfs/dbraw/zinc/29/90/86/625299086.db2.gz IKMMBTUXSJUPTB-ZDUSSCGKSA-N 0 0 297.354 2.866 20 10 CFCDRN CCc1noc(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181260803 618874764 /nfs/dbraw/zinc/87/47/64/618874764.db2.gz IYKDVOGDWWGWLB-FNORWQNLSA-N 0 0 288.303 2.609 20 10 CFCDRN Cc1cccc2c1CCN2C(=O)/C=C/c1cncc(O)c1 ZINC000181939962 618887033 /nfs/dbraw/zinc/88/70/33/618887033.db2.gz SUGPJRIZHMNSIH-AATRIKPKSA-N 0 0 280.327 2.698 20 10 CFCDRN O=C(/C=C/c1cncc(O)c1)N1CC2(CC2)c2ccccc21 ZINC000182039625 618888921 /nfs/dbraw/zinc/88/89/21/618888921.db2.gz KOCUOEJXBDNSQA-AATRIKPKSA-N 0 0 292.338 2.879 20 10 CFCDRN CCn1cc(CN(C)c2ccc3c(c2)OCO3)c(C)n1 ZINC000893460074 619004621 /nfs/dbraw/zinc/00/46/21/619004621.db2.gz DIVAFRYLJVWFRH-UHFFFAOYSA-N 0 0 273.336 2.577 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1N ZINC000314000094 619040755 /nfs/dbraw/zinc/04/07/55/619040755.db2.gz DAGUDWINLBOFDO-UHFFFAOYSA-N 0 0 297.402 2.915 20 10 CFCDRN CCOc1cc(C(=O)NCCc2ccc(N)cc2)ccc1C ZINC000236891618 619204779 /nfs/dbraw/zinc/20/47/79/619204779.db2.gz WGLGKSADJBGHBA-UHFFFAOYSA-N 0 0 298.386 2.948 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840980429 619210122 /nfs/dbraw/zinc/21/01/22/619210122.db2.gz ZPLBVJUWRCRIDV-ZJUUUORDSA-N 0 0 287.762 2.825 20 10 CFCDRN CCOc1ccc(N(C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000747530094 619253929 /nfs/dbraw/zinc/25/39/29/619253929.db2.gz JAGDUXGIKXUTFX-NSHDSACASA-N 0 0 291.351 2.812 20 10 CFCDRN Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1C ZINC000726876372 619267145 /nfs/dbraw/zinc/26/71/45/619267145.db2.gz PVDDEMOATTYJTN-WJDWOHSUSA-N 0 0 292.338 2.765 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000894445256 619387478 /nfs/dbraw/zinc/38/74/78/619387478.db2.gz PEBOZQYDMPVQFN-LBPRGKRZSA-N 0 0 297.345 2.919 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000894461593 619392603 /nfs/dbraw/zinc/39/26/03/619392603.db2.gz IVRCJONBEYQPNM-GFCCVEGCSA-N 0 0 279.290 2.731 20 10 CFCDRN CCCC[C@H](NCc1cc(C)cc(OC)c1O)C(=O)OC ZINC000894468697 619393593 /nfs/dbraw/zinc/39/35/93/619393593.db2.gz AIPQNMQZKLHRTQ-ZDUSSCGKSA-N 0 0 295.379 2.531 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1cccc(Cl)c1O ZINC000894588260 619425293 /nfs/dbraw/zinc/42/52/93/619425293.db2.gz NJKXKOCZLHDVDZ-LDYMZIIASA-N 0 0 268.744 2.643 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)c(O)c1OC ZINC000894658451 619434942 /nfs/dbraw/zinc/43/49/42/619434942.db2.gz IARXTYVBNIZYPU-HNNXBMFYSA-N 0 0 283.343 2.733 20 10 CFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894745134 619454226 /nfs/dbraw/zinc/45/42/26/619454226.db2.gz AAUIADIDTOMQNZ-AUTCDRCXSA-N 0 0 295.329 2.526 20 10 CFCDRN CCOC1CC([N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000894781816 619466214 /nfs/dbraw/zinc/46/62/14/619466214.db2.gz SABFUUCERRWFPN-UHFFFAOYSA-N 0 0 271.307 2.670 20 10 CFCDRN COc1cc(C)cc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000894857300 619485394 /nfs/dbraw/zinc/48/53/94/619485394.db2.gz BZMLHIVEFCDIMF-AWEZNQCLSA-N 0 0 299.370 2.805 20 10 CFCDRN COc1ccc(CNC(=O)NC2CCCCC2)c(O)c1 ZINC000792760874 619497568 /nfs/dbraw/zinc/49/75/68/619497568.db2.gz CUOGJURPRLWFLZ-UHFFFAOYSA-N 0 0 278.352 2.533 20 10 CFCDRN CCN(C/C=C(/C)C(=O)OC)c1ccc(OC)cc1 ZINC000748816739 619506568 /nfs/dbraw/zinc/50/65/68/619506568.db2.gz WFLHXAPWRVYSNQ-BENRWUELSA-N 0 0 263.337 2.641 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1O ZINC000182618579 625359165 /nfs/dbraw/zinc/35/91/65/625359165.db2.gz IIDNAWXNBHXPEY-UHFFFAOYSA-N 0 0 273.288 2.673 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895573197 619557396 /nfs/dbraw/zinc/55/73/96/619557396.db2.gz OHXKLSPRVQQOKZ-QMMMGPOBSA-N 0 0 261.699 2.976 20 10 CFCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845777 619621164 /nfs/dbraw/zinc/62/11/64/619621164.db2.gz IZXNGQJOKZODDL-NHYWBVRUSA-N 0 0 265.328 2.532 20 10 CFCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000895854377 619623303 /nfs/dbraw/zinc/62/33/03/619623303.db2.gz KJFWDLBTPYNKPX-OCCSQVGLSA-N 0 0 299.798 2.577 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2(C3CC3)CCC2)ccc1[N+](=O)[O-] ZINC000895900849 619630352 /nfs/dbraw/zinc/63/03/52/619630352.db2.gz IQQOGHZVVBSUFW-UHFFFAOYSA-N 0 0 292.335 2.731 20 10 CFCDRN Cn1ccc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000896491823 619745031 /nfs/dbraw/zinc/74/50/31/619745031.db2.gz BMZHHCSIAYBIPK-ZDUSSCGKSA-N 0 0 271.364 2.505 20 10 CFCDRN CC[C@H](COC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000070657922 625368447 /nfs/dbraw/zinc/36/84/47/625368447.db2.gz ULOCWEDFYAYTKM-SNVBAGLBSA-N 0 0 288.185 2.669 20 10 CFCDRN C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1c([O-])cccc1F ZINC000896644815 619778388 /nfs/dbraw/zinc/77/83/88/619778388.db2.gz ZKHITANNLOYWPZ-PRHODGIISA-N 0 0 288.160 2.794 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCCSCC1 ZINC000896636606 619780086 /nfs/dbraw/zinc/78/00/86/619780086.db2.gz CPKAMGKSDZAMHC-JTQLQIEISA-N 0 0 255.358 2.907 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000896637633 619780492 /nfs/dbraw/zinc/78/04/92/619780492.db2.gz KVNWZBYAOVPWNQ-PELKAZGASA-N 0 0 293.260 2.731 20 10 CFCDRN COCC1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896639807 619781514 /nfs/dbraw/zinc/78/15/14/619781514.db2.gz XWOIVJYGGXGWDM-UHFFFAOYSA-N 0 0 267.344 2.826 20 10 CFCDRN CCn1nc(C)c(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896640640 619781568 /nfs/dbraw/zinc/78/15/68/619781568.db2.gz KQXHYUFPRGEPFS-UHFFFAOYSA-N 0 0 277.343 2.654 20 10 CFCDRN CCOc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1O ZINC000896640293 619781630 /nfs/dbraw/zinc/78/16/30/619781630.db2.gz IZWNBURUWQGIMT-UHFFFAOYSA-N 0 0 291.322 2.925 20 10 CFCDRN CCc1nc(CNCc2c(O)cccc2F)cs1 ZINC000896642017 619782218 /nfs/dbraw/zinc/78/22/18/619782218.db2.gz WAFPLCWUNPVQQM-UHFFFAOYSA-N 0 0 266.341 2.840 20 10 CFCDRN CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C[C@@H]2O1 ZINC000897050502 619922734 /nfs/dbraw/zinc/92/27/34/619922734.db2.gz TWWNFWAPGHOACP-UOJUARBOSA-N 0 0 297.782 2.818 20 10 CFCDRN CCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000897069515 619925344 /nfs/dbraw/zinc/92/53/44/619925344.db2.gz WTBHRRBJQPRZBF-ZDUSSCGKSA-N 0 0 266.360 2.503 20 10 CFCDRN Cc1ccc(NCC[NH2+]Cc2ccc(F)c(F)c2[O-])nc1 ZINC000897179166 619945188 /nfs/dbraw/zinc/94/51/88/619945188.db2.gz HLWDZZPGKXQNOD-UHFFFAOYSA-N 0 0 293.317 2.576 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)c2cccc(O)c2)c(O)c1O ZINC000182835989 625385683 /nfs/dbraw/zinc/38/56/83/625385683.db2.gz BXIIOMWLQFUAIL-JTQLQIEISA-N 0 0 287.315 2.603 20 10 CFCDRN CC(C)Cc1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121320346 619985732 /nfs/dbraw/zinc/98/57/32/619985732.db2.gz VMASIXBSMWUKTK-UHFFFAOYSA-N 0 0 289.335 2.633 20 10 CFCDRN O=C(CCC1CCC1)NCc1c(O)cccc1F ZINC000928704806 619995318 /nfs/dbraw/zinc/99/53/18/619995318.db2.gz DFUTXERUZAZTJZ-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN Cc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1O ZINC000840997879 620116604 /nfs/dbraw/zinc/11/66/04/620116604.db2.gz SINJKCNTFBBSJA-QEJZJMRPSA-N 0 0 289.375 2.918 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000263384915 620138880 /nfs/dbraw/zinc/13/88/80/620138880.db2.gz CQPDSHOTVXJRAN-INIZCTEOSA-N 0 0 299.370 2.789 20 10 CFCDRN CC[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000841761048 620255768 /nfs/dbraw/zinc/25/57/68/620255768.db2.gz AQQGSRCEYXIQQA-ZDUSSCGKSA-N 0 0 266.360 2.666 20 10 CFCDRN NC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841028781 620255906 /nfs/dbraw/zinc/25/59/06/620255906.db2.gz RUEXYYGZZQVXFA-NSHDSACASA-N 0 0 275.179 2.526 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000897684505 620270995 /nfs/dbraw/zinc/27/09/95/620270995.db2.gz QKKXVWHWZOEOAC-CPCISQLKSA-N 0 0 276.163 2.512 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(Cl)c1 ZINC000897813273 620282459 /nfs/dbraw/zinc/28/24/59/620282459.db2.gz JJBJDDAXJCFIHO-ZFKHPNDBSA-N 0 0 279.767 2.619 20 10 CFCDRN O=C(NOC1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897811697 620282757 /nfs/dbraw/zinc/28/27/57/620282757.db2.gz KGWBTOLTRXTBLH-UHFFFAOYSA-N 0 0 279.317 2.526 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]1C1CC1 ZINC000897884704 620297588 /nfs/dbraw/zinc/29/75/88/620297588.db2.gz LTFNALSUWFJYNN-JTQLQIEISA-N 0 0 289.356 2.937 20 10 CFCDRN Cc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c(O)c1 ZINC000897948660 620309299 /nfs/dbraw/zinc/30/92/99/620309299.db2.gz PFVBHKNDQTWSBP-RDTXWAMCSA-N 0 0 299.370 2.532 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897952674 620309919 /nfs/dbraw/zinc/30/99/19/620309919.db2.gz IRDIPKRWLRIVHZ-TVYUQYBPSA-N 0 0 262.309 2.579 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897960456 620312876 /nfs/dbraw/zinc/31/28/76/620312876.db2.gz UCSLGBIYXXHRPP-LJUAHTATSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897960458 620313033 /nfs/dbraw/zinc/31/30/33/620313033.db2.gz UCSLGBIYXXHRPP-XTWCZFFVSA-N 0 0 253.292 2.949 20 10 CFCDRN O=C(N[C@@H]1CC12CC2)c1cc2cc(O)c(O)cc2s1 ZINC000898009154 620316577 /nfs/dbraw/zinc/31/65/77/620316577.db2.gz HVYNFHYIMHPFGO-GFCCVEGCSA-N 0 0 275.329 2.595 20 10 CFCDRN Oc1ccccc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898094428 620332023 /nfs/dbraw/zinc/33/20/23/620332023.db2.gz ARKKYGJHGHDADJ-ZDUSSCGKSA-N 0 0 273.336 2.552 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000898218185 620347114 /nfs/dbraw/zinc/34/71/14/620347114.db2.gz ACTIZXYAOSSFJI-CQSZACIVSA-N 0 0 299.798 2.577 20 10 CFCDRN CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000898279676 620363954 /nfs/dbraw/zinc/36/39/54/620363954.db2.gz IVBXHEMLLKFCQA-LBPRGKRZSA-N 0 0 296.798 2.535 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](F)C1 ZINC000898297330 620367044 /nfs/dbraw/zinc/36/70/44/620367044.db2.gz RQRHLSRVHJZSKV-SECBINFHSA-N 0 0 295.335 2.887 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(F)c2)cc1 ZINC000041039175 620427466 /nfs/dbraw/zinc/42/74/66/620427466.db2.gz MOZCRUDUWQAIHK-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000927020043 620440497 /nfs/dbraw/zinc/44/04/97/620440497.db2.gz WEGDGJVFHJGCOJ-CMPLNLGQSA-N 0 0 255.333 2.733 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000927020362 620440568 /nfs/dbraw/zinc/44/05/68/620440568.db2.gz XKMWJZYABISFDV-GXSJLCMTSA-N 0 0 273.323 2.872 20 10 CFCDRN O=C(NC1(C2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000898461229 620467347 /nfs/dbraw/zinc/46/73/47/620467347.db2.gz DBPUGFQHVYKQDC-UHFFFAOYSA-N 0 0 289.356 2.985 20 10 CFCDRN CCc1cccc(CNC(C)(C)C(=O)OC(C)C)c1O ZINC000898507535 620472182 /nfs/dbraw/zinc/47/21/82/620472182.db2.gz UXGMBXRYIHLGGU-UHFFFAOYSA-N 0 0 279.380 2.774 20 10 CFCDRN CC(C)OC(=O)C(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000898506557 620472342 /nfs/dbraw/zinc/47/23/42/620472342.db2.gz KSPDHPOXFRSQTK-UHFFFAOYSA-N 0 0 296.386 2.712 20 10 CFCDRN CCOc1ccc(O)c(CNC(C)(C)C(=O)OC(C)C)c1 ZINC000898508331 620472811 /nfs/dbraw/zinc/47/28/11/620472811.db2.gz DGWOJAGOKSLEMM-UHFFFAOYSA-N 0 0 295.379 2.611 20 10 CFCDRN CCON(CC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899188355 620530035 /nfs/dbraw/zinc/53/00/35/620530035.db2.gz MYDFDTDECXQZJC-UHFFFAOYSA-N 0 0 281.333 2.726 20 10 CFCDRN O=S(=O)(CCCCF)Nc1cc(F)c(O)cc1Cl ZINC000901962227 620946405 /nfs/dbraw/zinc/94/64/05/620946405.db2.gz CZMNETMMQCEEEX-UHFFFAOYSA-N 0 0 299.726 2.676 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N1CCCCCC1 ZINC000902943656 621206645 /nfs/dbraw/zinc/20/66/45/621206645.db2.gz AEAKZAXHECCWOD-UHFFFAOYSA-N 0 0 266.316 2.617 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903266174 621306551 /nfs/dbraw/zinc/30/65/51/621306551.db2.gz UMXLSCQEPBHZRI-YVILZHTOSA-N 0 0 283.318 2.889 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCN1C)c1cccc(Cl)c1[O-] ZINC000903317792 621330537 /nfs/dbraw/zinc/33/05/37/621330537.db2.gz NCLWQHZBQJIYJZ-MFKMUULPSA-N 0 0 268.788 2.790 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C(C)(C)OC)c1 ZINC000903332916 621342509 /nfs/dbraw/zinc/34/25/09/621342509.db2.gz VJDAQPJVZKUECA-WDEREUQCSA-N 0 0 295.379 2.643 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903405178 621360777 /nfs/dbraw/zinc/36/07/77/621360777.db2.gz BILOLBCUPBUXFR-RNCFNFMXSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@@H](c1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCCO1 ZINC000904076506 621517112 /nfs/dbraw/zinc/51/71/12/621517112.db2.gz CMAPLFWVWYFIPH-MFKMUULPSA-N 0 0 273.336 2.525 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431754 621595319 /nfs/dbraw/zinc/59/53/19/621595319.db2.gz ZPQBKLGFNLMDAV-HNNXBMFYSA-N 0 0 280.799 2.764 20 10 CFCDRN C/C(=C/c1ccc(N2CCC(O)CC2)cc1)c1ncccn1 ZINC000905077058 621699214 /nfs/dbraw/zinc/69/92/14/621699214.db2.gz QGIDMZUSGVKPAU-YPKPFQOOSA-N 0 0 295.386 2.998 20 10 CFCDRN CCOc1ccccc1NC[C@@H](O)CC1(O)CCCCC1 ZINC000905295302 621733838 /nfs/dbraw/zinc/73/38/38/621733838.db2.gz QGRIALMSBQYHEL-AWEZNQCLSA-N 0 0 293.407 2.943 20 10 CFCDRN O[C@@H](CCC1(O)CCC1)CNc1ccccc1OCCF ZINC000905339219 621751074 /nfs/dbraw/zinc/75/10/74/621751074.db2.gz OVGUGWZPAITLQF-ZDUSSCGKSA-N 0 0 297.370 2.503 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nnc(C2CC2)o1 ZINC000905405423 621759742 /nfs/dbraw/zinc/75/97/42/621759742.db2.gz BOLQFWCKGVDISX-UHFFFAOYSA-N 0 0 267.235 2.543 20 10 CFCDRN CCN(Cc1cn(C2CC2)nn1)c1ccc(OC)cc1 ZINC000906277941 621966413 /nfs/dbraw/zinc/96/64/13/621966413.db2.gz QUEAZMLCOOBTLI-UHFFFAOYSA-N 0 0 272.352 2.648 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1(C2CC2)CCC1 ZINC000906990957 622073632 /nfs/dbraw/zinc/07/36/32/622073632.db2.gz IURQGWCCFGOBSN-UHFFFAOYSA-N 0 0 259.349 2.931 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cnccn1 ZINC000906994051 622074169 /nfs/dbraw/zinc/07/41/69/622074169.db2.gz OGCRSGJIGBPVBX-CYBMUJFWSA-N 0 0 299.374 2.725 20 10 CFCDRN CCc1nc[nH]c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907492261 622131742 /nfs/dbraw/zinc/13/17/42/622131742.db2.gz HYXJPNFMASWYKN-LLVKDONJSA-N 0 0 286.379 2.529 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000907493222 622131869 /nfs/dbraw/zinc/13/18/69/622131869.db2.gz OSWIPXUIWKPWRB-WWGRRREGSA-N 0 0 290.407 2.745 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCOCC23CC3)c1O ZINC000802658611 622201390 /nfs/dbraw/zinc/20/13/90/622201390.db2.gz KDHMDJKUXMOSFO-UHFFFAOYSA-N 0 0 267.756 2.719 20 10 CFCDRN Cc1cccnc1/C=C/C(=O)N(C)Cc1ccccc1O ZINC000183909781 625557569 /nfs/dbraw/zinc/55/75/69/625557569.db2.gz QSMZWKXIYMECSS-MDZDMXLPSA-N 0 0 282.343 2.767 20 10 CFCDRN CCN(CC)c1ccc(CNc2ccnc(C(N)=O)c2)cc1 ZINC000183918606 625559346 /nfs/dbraw/zinc/55/93/46/625559346.db2.gz DLOVGGRDNLCGGS-UHFFFAOYSA-N 0 0 298.390 2.639 20 10 CFCDRN Cc1cc(C)cc(CCC(=O)NCc2ccc(O)cc2O)c1 ZINC000910950292 622489347 /nfs/dbraw/zinc/48/93/47/622489347.db2.gz VROSWKSSMKZKPX-UHFFFAOYSA-N 0 0 299.370 2.964 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1CCC(C2CC2)CC1 ZINC000910942293 622491191 /nfs/dbraw/zinc/49/11/91/622491191.db2.gz BHTWELJXADTHNH-UHFFFAOYSA-N 0 0 289.375 2.930 20 10 CFCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910943375 622491367 /nfs/dbraw/zinc/49/13/67/622491367.db2.gz BALBXMFWMODJEG-ZUZCIYMTSA-N 0 0 263.337 2.540 20 10 CFCDRN CC(C)c1ncsc1C(=O)NCc1ccc(O)cc1O ZINC000910945751 622491936 /nfs/dbraw/zinc/49/19/36/622491936.db2.gz XNYTVCYSMKNCPK-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1 ZINC000911143204 622508024 /nfs/dbraw/zinc/50/80/24/622508024.db2.gz YZEJMEGFDGMIJQ-GFCCVEGCSA-N 0 0 286.331 2.682 20 10 CFCDRN CCN(Cc1ccc(N2CCOCC2)cc1)CC(F)F ZINC000184087785 625572495 /nfs/dbraw/zinc/57/24/95/625572495.db2.gz MNJODUSACWJQEL-UHFFFAOYSA-N 0 0 284.350 2.610 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000911783512 622551935 /nfs/dbraw/zinc/55/19/35/622551935.db2.gz VVHFNQXQQUZPAA-CWRNSKLLSA-N 0 0 272.392 2.754 20 10 CFCDRN C[C@]1(CNC(=O)C2=CC(=O)CS2)CC1(Cl)Cl ZINC000833832729 625579240 /nfs/dbraw/zinc/57/92/40/625579240.db2.gz HCDSFKNMBVQIKL-SECBINFHSA-N 0 0 280.176 2.767 20 10 CFCDRN O=C(Cc1cccc(C2CC2)c1)NCc1ccc(O)c(O)c1 ZINC000840402913 622645213 /nfs/dbraw/zinc/64/52/13/622645213.db2.gz POTCBIYGWGPNQA-UHFFFAOYSA-N 0 0 297.354 2.834 20 10 CFCDRN CCC[C@@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000821061127 622836282 /nfs/dbraw/zinc/83/62/82/622836282.db2.gz PRLJPTOBHDMRJN-GFCCVEGCSA-N 0 0 265.353 2.583 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC(C)=C(C)C)c1 ZINC000821065556 622838586 /nfs/dbraw/zinc/83/85/86/622838586.db2.gz OWPLOFLRFFOJCE-UHFFFAOYSA-N 0 0 263.337 2.763 20 10 CFCDRN CN(C)c1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)cc1 ZINC000151487626 622917769 /nfs/dbraw/zinc/91/77/69/622917769.db2.gz PUEBKQFMZPYAKF-VMPITWQZSA-N 0 0 292.342 2.555 20 10 CFCDRN [NH3+]C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044527657 622918615 /nfs/dbraw/zinc/91/86/15/622918615.db2.gz SYOCPPHUYCWAOE-SECBINFHSA-N 0 0 289.206 2.870 20 10 CFCDRN Cc1cc(C)c(O)c(CN(C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000164501844 622958277 /nfs/dbraw/zinc/95/82/77/622958277.db2.gz GSZBXBBYQCOCRR-ZDUSSCGKSA-N 0 0 279.380 2.781 20 10 CFCDRN C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1F ZINC000821761355 622971761 /nfs/dbraw/zinc/97/17/61/622971761.db2.gz SLQNQIBGJKDUOH-CABZTGNLSA-N 0 0 292.314 2.669 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC1 ZINC000045460058 622987132 /nfs/dbraw/zinc/98/71/32/622987132.db2.gz ZPUMXQVMLUXQCC-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCc2ccccc2C1 ZINC000223500387 622989279 /nfs/dbraw/zinc/98/92/79/622989279.db2.gz CHWFTQYDDHENPJ-HNNXBMFYSA-N 0 0 281.355 2.814 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2nccs2)cc1F ZINC000058515037 623051294 /nfs/dbraw/zinc/05/12/94/623051294.db2.gz MYNXHZARPNGTQR-UHFFFAOYSA-N 0 0 294.355 2.670 20 10 CFCDRN Cc1nc(CNCc2cc(F)ccc2O)cs1 ZINC000226583831 623083675 /nfs/dbraw/zinc/08/36/75/623083675.db2.gz ZMQRVWNPWNSGAK-UHFFFAOYSA-N 0 0 252.314 2.586 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000158080675 623094246 /nfs/dbraw/zinc/09/42/46/623094246.db2.gz SOGHGHCRVAFZSL-ZDUSSCGKSA-N 0 0 299.798 2.721 20 10 CFCDRN CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000822503359 623117344 /nfs/dbraw/zinc/11/73/44/623117344.db2.gz GUITYXDWMGQXLB-QGZVFWFLSA-N 0 0 291.391 2.946 20 10 CFCDRN CC1=C[C@H](C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822632182 623139176 /nfs/dbraw/zinc/13/91/76/623139176.db2.gz AQTWTUDBKJYVGK-JTQLQIEISA-N 0 0 286.335 2.887 20 10 CFCDRN C[C@H](NCc1nc(C(F)F)no1)c1ccc(N(C)C)cc1 ZINC000822870734 623193470 /nfs/dbraw/zinc/19/34/70/623193470.db2.gz XERCFVWVIUQNIM-VIFPVBQESA-N 0 0 296.321 2.924 20 10 CFCDRN CC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000229969666 623238152 /nfs/dbraw/zinc/23/81/52/623238152.db2.gz QCCPJBBEFSALSM-SECBINFHSA-N 0 0 264.152 2.560 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C)c2)c1 ZINC000188779026 623242167 /nfs/dbraw/zinc/24/21/67/623242167.db2.gz MDKKJVIBOXBCSW-SNVBAGLBSA-N 0 0 275.304 2.793 20 10 CFCDRN CCCCOCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000172331595 623277262 /nfs/dbraw/zinc/27/72/62/623277262.db2.gz STZQZDWVFMTGIH-UHFFFAOYSA-N 0 0 292.423 2.966 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC(F)F ZINC000840479341 623313332 /nfs/dbraw/zinc/31/33/32/623313332.db2.gz NUQWXAHSASLCNA-LLVKDONJSA-N 0 0 299.365 2.556 20 10 CFCDRN CCOC(=O)CN(CCCSC)Cc1ccccc1O ZINC000823581365 623353074 /nfs/dbraw/zinc/35/30/74/623353074.db2.gz HNCTXVQACAMTBE-UHFFFAOYSA-N 0 0 297.420 2.510 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC12CC2 ZINC000823872580 623411724 /nfs/dbraw/zinc/41/17/24/623411724.db2.gz DXKVHOMIQNZUQS-HNNXBMFYSA-N 0 0 286.375 2.623 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NOCC2CCC2)cc1 ZINC000824022290 623434321 /nfs/dbraw/zinc/43/43/21/623434321.db2.gz LBZLJHRPISGGDG-UHFFFAOYSA-N 0 0 291.395 2.626 20 10 CFCDRN C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824471690 623509995 /nfs/dbraw/zinc/50/99/95/623509995.db2.gz GAVKBSKZNPTRAA-QGZVFWFLSA-N 0 0 292.398 2.847 20 10 CFCDRN Oc1ccc(Br)cc1CNC(CF)CF ZINC000824554606 623523049 /nfs/dbraw/zinc/52/30/49/623523049.db2.gz IIMJZYSCKDFKRZ-UHFFFAOYSA-N 0 0 280.112 2.552 20 10 CFCDRN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000824566835 623525338 /nfs/dbraw/zinc/52/53/38/623525338.db2.gz DLPSAQNGIWSCQV-LBPRGKRZSA-N 0 0 274.324 2.767 20 10 CFCDRN C[C@@H](CCCO)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824608544 623532265 /nfs/dbraw/zinc/53/22/65/623532265.db2.gz IPZCLSNHVYHZNS-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824626419 623534611 /nfs/dbraw/zinc/53/46/11/623534611.db2.gz ZFAVHZXUGDJGGH-NSHDSACASA-N 0 0 273.735 2.842 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1F ZINC000824668990 623543051 /nfs/dbraw/zinc/54/30/51/623543051.db2.gz BATNKTVWAVCNDB-ITGUQSILSA-N 0 0 276.355 2.554 20 10 CFCDRN CSC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000824676644 623543899 /nfs/dbraw/zinc/54/38/99/623543899.db2.gz OCJTZUBSTFQJJB-UHFFFAOYSA-N 0 0 292.448 2.827 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CC2(F)F)cc1 ZINC000824796653 623567439 /nfs/dbraw/zinc/56/74/39/623567439.db2.gz DCLIPKXUUIIZGM-VIFPVBQESA-N 0 0 296.277 2.624 20 10 CFCDRN Cc1cc(O)c(CN2CCc3c[nH]nc3C2)cc1Cl ZINC000824848799 623576999 /nfs/dbraw/zinc/57/69/99/623576999.db2.gz BAPREWRAOOHIPT-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2[C@H]1C)c1ccccc1O ZINC000913764058 623581600 /nfs/dbraw/zinc/58/16/00/623581600.db2.gz ZMLORCKDXGDLQK-SDDRHHMPSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)c2nccn21 ZINC000825017036 623606784 /nfs/dbraw/zinc/60/67/84/623606784.db2.gz LAYHGBHWGGRRHI-RISCZKNCSA-N 0 0 269.348 2.614 20 10 CFCDRN CCC(CC)NC(=O)NCc1c(O)cccc1F ZINC000913845281 623615634 /nfs/dbraw/zinc/61/56/34/623615634.db2.gz PXKJHHSGMVKXNC-UHFFFAOYSA-N 0 0 254.305 2.519 20 10 CFCDRN CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825090627 623627619 /nfs/dbraw/zinc/62/76/19/623627619.db2.gz CPMYKLJLSWTDAX-LLVKDONJSA-N 0 0 273.735 2.699 20 10 CFCDRN Cc1cc(Cl)cc(CN[C@@H](C)C(=O)OC(C)C)c1O ZINC000825118386 623634250 /nfs/dbraw/zinc/63/42/50/623634250.db2.gz SFCSAELLPKJVGF-JTQLQIEISA-N 0 0 285.771 2.784 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338189 623677296 /nfs/dbraw/zinc/67/72/96/623677296.db2.gz NHYYALJCFRERBC-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnn2c1CCC2 ZINC000825461776 623698558 /nfs/dbraw/zinc/69/85/58/623698558.db2.gz ODLGKRFTRPJZQX-UHFFFAOYSA-N 0 0 283.375 2.791 20 10 CFCDRN CC(C)OC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000831140546 623704560 /nfs/dbraw/zinc/70/45/60/623704560.db2.gz LAVUOOFCZUCSMA-NSHDSACASA-N 0 0 250.342 2.948 20 10 CFCDRN C[C@H]1OCCN(Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000093418111 623714075 /nfs/dbraw/zinc/71/40/75/623714075.db2.gz NWHOMKMZDSJMOJ-NXEZZACHSA-N 0 0 255.745 2.655 20 10 CFCDRN C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1[O-] ZINC000185015471 625674448 /nfs/dbraw/zinc/67/44/48/625674448.db2.gz KIXVXZLRNCLNIL-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C(C)(F)F ZINC000825819966 623757107 /nfs/dbraw/zinc/75/71/07/623757107.db2.gz LAARIPHJYKJPOE-UHFFFAOYSA-N 0 0 263.309 2.865 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000914366235 623773901 /nfs/dbraw/zinc/77/39/01/623773901.db2.gz MCJNIHWNKJKZPG-UWVGGRQHSA-N 0 0 268.332 2.765 20 10 CFCDRN Cc1cc(O)c(CN2CCn3cncc3C2)cc1Cl ZINC000825948643 623774771 /nfs/dbraw/zinc/77/47/71/623774771.db2.gz HIYVRQLJSHMIAX-UHFFFAOYSA-N 0 0 277.755 2.566 20 10 CFCDRN CC[C@H](NC(=O)NCc1c(O)cccc1F)C(C)C ZINC000914369528 623775420 /nfs/dbraw/zinc/77/54/20/623775420.db2.gz APZRATVCYRKAPI-LBPRGKRZSA-N 0 0 268.332 2.765 20 10 CFCDRN CCCCC[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000825981652 623778194 /nfs/dbraw/zinc/77/81/94/623778194.db2.gz WRPGMVATCHDDEI-MRXNPFEDSA-N 0 0 292.423 2.618 20 10 CFCDRN CC1(C)C[C@@]1(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000914380259 623780876 /nfs/dbraw/zinc/78/08/76/623780876.db2.gz BRPUFLCZBQSJNW-WRLNGNIRSA-N 0 0 275.348 2.663 20 10 CFCDRN CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826030207 623784496 /nfs/dbraw/zinc/78/44/96/623784496.db2.gz SGKSHZPNKAQAIA-NSHDSACASA-N 0 0 257.761 2.557 20 10 CFCDRN CCc1cccc(CNc2cccc(OC)n2)c1O ZINC000826768471 623869019 /nfs/dbraw/zinc/86/90/19/623869019.db2.gz ACIGFLAQHPKRNK-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2c[nH]cn2)c(Cl)c1 ZINC000826768545 623869816 /nfs/dbraw/zinc/86/98/16/623869816.db2.gz CHUROHAYUPITQD-UHFFFAOYSA-N 0 0 265.744 2.709 20 10 CFCDRN CCc1cccc(CNc2ccc3c(c2)CCNC3=O)c1O ZINC000826857932 623894708 /nfs/dbraw/zinc/89/47/08/623894708.db2.gz WAWHUWIDMQHDPL-UHFFFAOYSA-N 0 0 296.370 2.853 20 10 CFCDRN Oc1c(CN2CC[C@H](O)C(F)(F)C2)ccc2ccccc21 ZINC000826953000 623913984 /nfs/dbraw/zinc/91/39/84/623913984.db2.gz ZFBLPCCWHLJPJU-AWEZNQCLSA-N 0 0 293.313 2.747 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1 ZINC000826959006 623914899 /nfs/dbraw/zinc/91/48/99/623914899.db2.gz WLNRWXVSVYCIHP-HNNXBMFYSA-N 0 0 298.377 2.735 20 10 CFCDRN Cc1nnc(CN(C)Cc2ccc3ccccc3c2O)o1 ZINC000827039136 623928483 /nfs/dbraw/zinc/92/84/83/623928483.db2.gz IAQMWWGDCVLRAG-UHFFFAOYSA-N 0 0 283.331 2.869 20 10 CFCDRN O=C(N[C@@H]1CCCC(F)(F)C1)c1c(F)ccc(O)c1O ZINC000827060215 623933927 /nfs/dbraw/zinc/93/39/27/623933927.db2.gz SQTJNFVKEYHQFR-SSDOTTSWSA-N 0 0 289.253 2.545 20 10 CFCDRN CC1=C(C(=O)NCc2cc(C)ccc2O)CCN1C(C)C ZINC000827166641 623957420 /nfs/dbraw/zinc/95/74/20/623957420.db2.gz JUENEVZFUITCTC-UHFFFAOYSA-N 0 0 288.391 2.705 20 10 CFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507055 624020376 /nfs/dbraw/zinc/02/03/76/624020376.db2.gz SJQIKWWPJVRWMZ-ONGXEEELSA-N 0 0 282.181 2.997 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@]2(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000827591518 624040425 /nfs/dbraw/zinc/04/04/25/624040425.db2.gz RSWPQJHUUGMJNJ-CQSZACIVSA-N 0 0 280.324 2.587 20 10 CFCDRN CCOC1CC2(C[C@H]2C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827918815 624127413 /nfs/dbraw/zinc/12/74/13/624127413.db2.gz ZHQNPCCHULNYTM-DXMOGKONSA-N 0 0 289.375 2.775 20 10 CFCDRN C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000827930364 624130308 /nfs/dbraw/zinc/13/03/08/624130308.db2.gz IEFDMNVVBJZXCS-LLVKDONJSA-N 0 0 287.363 2.835 20 10 CFCDRN CC(C)n1ccc(CC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827937280 624131379 /nfs/dbraw/zinc/13/13/79/624131379.db2.gz QNHQRCAUKGOMFO-GFCCVEGCSA-N 0 0 287.363 2.590 20 10 CFCDRN CCOc1ccc(N(C)Cc2nc(C3CC3)nn2C)cc1 ZINC000827936297 624131400 /nfs/dbraw/zinc/13/14/00/624131400.db2.gz IUCHHLOICRQOGZ-UHFFFAOYSA-N 0 0 286.379 2.728 20 10 CFCDRN COC1(CC(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827946548 624134847 /nfs/dbraw/zinc/13/48/47/624134847.db2.gz LOTQELIRKQSQPJ-LLVKDONJSA-N 0 0 263.337 2.529 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCCSC1)c1ccccc1O ZINC000827946210 624135000 /nfs/dbraw/zinc/13/50/00/624135000.db2.gz ALRBJYTUKDNYHC-GHMZBOCLSA-N 0 0 265.378 2.713 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@H](C)c1ccccc1O ZINC000827946986 624135728 /nfs/dbraw/zinc/13/57/28/624135728.db2.gz XGTFWUKFLUAKGW-MISXGVKJSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)c1ccccc1O ZINC000827952015 624135890 /nfs/dbraw/zinc/13/58/90/624135890.db2.gz CWRZCSPVYPZQGJ-RKDXNWHRSA-N 0 0 257.280 2.861 20 10 CFCDRN C[C@@H](NC(=O)c1cn(C)nc1C1CCC1)c1ccccc1O ZINC000827952143 624136763 /nfs/dbraw/zinc/13/67/63/624136763.db2.gz HNHAUMLFRKAFRI-LLVKDONJSA-N 0 0 299.374 2.884 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952039 624136770 /nfs/dbraw/zinc/13/67/70/624136770.db2.gz DTDPUOOBNMXUDX-ZLDLUXBVSA-N 0 0 277.364 2.775 20 10 CFCDRN CCC(C)(C)OCC(=O)N[C@H](C)c1ccccc1O ZINC000827952463 624137028 /nfs/dbraw/zinc/13/70/28/624137028.db2.gz TXHYBTAMPPPYBW-LLVKDONJSA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)c1ccccc1O ZINC000827956283 624137944 /nfs/dbraw/zinc/13/79/44/624137944.db2.gz JDSFJYWTYZZUOW-NWDGAFQWSA-N 0 0 299.374 2.662 20 10 CFCDRN C[C@H](NC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000827956315 624138312 /nfs/dbraw/zinc/13/83/12/624138312.db2.gz JVNRUDSLPSTXGJ-DXHVMGJMSA-N 0 0 277.364 2.629 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC000827956890 624139762 /nfs/dbraw/zinc/13/97/62/624139762.db2.gz PXVLXTKDHXEYMP-SJVBDLOYSA-N 0 0 259.349 2.862 20 10 CFCDRN CCc1[nH]ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827964077 624141730 /nfs/dbraw/zinc/14/17/30/624141730.db2.gz GRXUEVNRJLRYEY-JTQLQIEISA-N 0 0 258.321 2.774 20 10 CFCDRN COCCC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827973483 624143946 /nfs/dbraw/zinc/14/39/46/624143946.db2.gz QZBBVSPOTDRPQP-LBPRGKRZSA-N 0 0 277.364 2.776 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1O ZINC000827973824 624143959 /nfs/dbraw/zinc/14/39/59/624143959.db2.gz ZFQIDVXXLNITAU-MDZLAQPJSA-N 0 0 275.348 2.575 20 10 CFCDRN C[C@H](NC(=O)CC[C@H]1CC[C@H](C)O1)c1ccccc1O ZINC000827973028 624144225 /nfs/dbraw/zinc/14/42/25/624144225.db2.gz GPAVXWFOKFWPJK-RWMBFGLXSA-N 0 0 277.364 2.917 20 10 CFCDRN CSC[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978481 624144905 /nfs/dbraw/zinc/14/49/05/624144905.db2.gz VDGWRWBFNPLXAK-UWVGGRQHSA-N 0 0 253.367 2.569 20 10 CFCDRN C[C@H](NC(=O)C1(C(F)(F)F)CC1)c1ccccc1O ZINC000827978547 624145025 /nfs/dbraw/zinc/14/50/25/624145025.db2.gz WYFRBLVEUPVBAI-QMMMGPOBSA-N 0 0 273.254 2.912 20 10 CFCDRN C[C@H](NC(=O)CCc1ccco1)c1ccccc1O ZINC000827982180 624146100 /nfs/dbraw/zinc/14/61/00/624146100.db2.gz NGFPUXHWCAHFNM-NSHDSACASA-N 0 0 259.305 2.795 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1O ZINC000827982196 624146539 /nfs/dbraw/zinc/14/65/39/624146539.db2.gz NUNQSKVMSDOKGX-JSGCOSHPSA-N 0 0 297.354 2.821 20 10 CFCDRN CCCSCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982339 624146558 /nfs/dbraw/zinc/14/65/58/624146558.db2.gz SXBGSDHXMMNOND-JTQLQIEISA-N 0 0 253.367 2.713 20 10 CFCDRN CCOc1ccc(O)c(CN(C)Cc2cc(C)on2)c1 ZINC000092254861 624178745 /nfs/dbraw/zinc/17/87/45/624178745.db2.gz CZOPTNAPRJZPHC-UHFFFAOYSA-N 0 0 276.336 2.719 20 10 CFCDRN CCN(Cc1csnn1)c1ccc(OC)c(OC)c1 ZINC000828162411 624189438 /nfs/dbraw/zinc/18/94/38/624189438.db2.gz BUHIYMMEJZDMCD-UHFFFAOYSA-N 0 0 279.365 2.582 20 10 CFCDRN C[C@@H]1CC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000828183763 624194957 /nfs/dbraw/zinc/19/49/57/624194957.db2.gz HLCUTLDLEBEQCR-HWPZZCPQSA-N 0 0 293.338 2.889 20 10 CFCDRN COc1ccc(N(CC[S@@](C)=O)CC(C)C)cc1 ZINC000828205801 624200982 /nfs/dbraw/zinc/20/09/82/624200982.db2.gz JKKOFSGPFLSVCL-GOSISDBHSA-N 0 0 269.410 2.536 20 10 CFCDRN COc1ccc(N(CC[C@H](C)O)C(C)C)cc1F ZINC000828268584 624218202 /nfs/dbraw/zinc/21/82/02/624218202.db2.gz XBIMFVXXLPJVQZ-NSHDSACASA-N 0 0 255.333 2.820 20 10 CFCDRN CC(C)[C@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000828327563 624229266 /nfs/dbraw/zinc/22/92/66/624229266.db2.gz PSWUJESLOFCNBK-MLGOLLRUSA-N 0 0 289.375 2.686 20 10 CFCDRN C/C=C/C=C/C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000153903387 624229386 /nfs/dbraw/zinc/22/93/86/624229386.db2.gz IVYIIEFPEJTZAS-YMMJRAIESA-N 0 0 261.321 2.710 20 10 CFCDRN COC(=O)c1cnc(Sc2nc(C)nc(C)c2C)s1 ZINC000828429634 624244228 /nfs/dbraw/zinc/24/42/28/624244228.db2.gz ZFRBCFVZSHCNRS-UHFFFAOYSA-N 0 0 295.389 2.796 20 10 CFCDRN CCc1cc(C)nc(Sc2ncc(C(=O)OC)s2)n1 ZINC000828429565 624244233 /nfs/dbraw/zinc/24/42/33/624244233.db2.gz YFNTWBRXCWUKEU-UHFFFAOYSA-N 0 0 295.389 2.742 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCc3cccc(Cl)c32)cn1 ZINC000916419518 624244906 /nfs/dbraw/zinc/24/49/06/624244906.db2.gz CKPNUBOXMLKQMN-AATRIKPKSA-N 0 0 287.750 2.676 20 10 CFCDRN C[C@@H](NC(=O)[C@@]12CCO[C@H]1CCCC2)c1ccccc1O ZINC000828538892 624265120 /nfs/dbraw/zinc/26/51/20/624265120.db2.gz DGQGTYKLWPCRTR-PVUWLOKVSA-N 0 0 289.375 2.919 20 10 CFCDRN C[C@H](NC(=O)c1cnn(C2CCC2)c1)c1ccccc1O ZINC000828539372 624265208 /nfs/dbraw/zinc/26/52/08/624265208.db2.gz NTKVUNRMCMILRD-NSHDSACASA-N 0 0 285.347 2.805 20 10 CFCDRN CCC(=O)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000828860767 624315491 /nfs/dbraw/zinc/31/54/91/624315491.db2.gz HHXHRFAVIVTUCJ-LBPRGKRZSA-N 0 0 288.391 2.689 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000828885164 624321189 /nfs/dbraw/zinc/32/11/89/624321189.db2.gz WXJFAJLRTBUCAM-ZZVYKPCYSA-N 0 0 289.375 2.581 20 10 CFCDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 ZINC000917254687 624327076 /nfs/dbraw/zinc/32/70/76/624327076.db2.gz WTTOBVHLDAXAGI-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCc1ccccc1O ZINC000917309467 624331194 /nfs/dbraw/zinc/33/11/94/624331194.db2.gz YBQGJVDYFNSXDT-UHFFFAOYSA-N 0 0 285.343 2.689 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CC[C@@H](C3CC3)O2)s1 ZINC000917779091 624383928 /nfs/dbraw/zinc/38/39/28/624383928.db2.gz XUCSFMYNABHRPS-ZJUUUORDSA-N 0 0 299.417 2.979 20 10 CFCDRN CCCC[N@H+](CC[C@H](C)O)Cc1ccccc1O ZINC000829516004 624450598 /nfs/dbraw/zinc/45/05/98/624450598.db2.gz MCCXVIUBTLQTHW-ZDUSSCGKSA-N 0 0 251.370 2.765 20 10 CFCDRN COC(=O)c1cnc(S[C@@H](C)c2cnc(C)cn2)s1 ZINC000829678056 624506084 /nfs/dbraw/zinc/50/60/84/624506084.db2.gz XJDWBOOVKBBOAS-QMMMGPOBSA-N 0 0 295.389 2.881 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CSC2CCC2)cc1 ZINC000829758478 624524369 /nfs/dbraw/zinc/52/43/69/624524369.db2.gz LPHOYGHTUDRGSX-UHFFFAOYSA-N 0 0 278.421 2.655 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1N ZINC000829764464 624527214 /nfs/dbraw/zinc/52/72/14/624527214.db2.gz LPWMXSBYLHAPSD-UHFFFAOYSA-N 0 0 297.402 2.882 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1conc1CC ZINC000830141279 624640523 /nfs/dbraw/zinc/64/05/23/624640523.db2.gz QJABXOMLXUJZBC-UHFFFAOYSA-N 0 0 288.347 2.995 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@]1(O)CCCC(C)(C)C1 ZINC000830141250 624640873 /nfs/dbraw/zinc/64/08/73/624640873.db2.gz PUVMFZBGIWKDKR-KRWDZBQOSA-N 0 0 291.391 2.682 20 10 CFCDRN CCCc1ccc(CCCC(=O)OCC(=O)C(C)=O)cc1 ZINC000830148307 624643281 /nfs/dbraw/zinc/64/32/81/624643281.db2.gz QQEFJCWNPSMGLB-UHFFFAOYSA-N 0 0 290.359 2.663 20 10 CFCDRN CCO[C@@H](CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000919980793 624653897 /nfs/dbraw/zinc/65/38/97/624653897.db2.gz PLLZWKSZBHRIHA-INIZCTEOSA-N 0 0 290.407 2.718 20 10 CFCDRN CC1=C(C(=O)NCc2c(O)cccc2F)CCN1C(C)C ZINC000830181423 624661372 /nfs/dbraw/zinc/66/13/72/624661372.db2.gz ZTXAVDULFKRMCP-UHFFFAOYSA-N 0 0 292.354 2.536 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C)cc1 ZINC000920043776 624661341 /nfs/dbraw/zinc/66/13/41/624661341.db2.gz MQGABBUKGNGEHJ-CYBMUJFWSA-N 0 0 275.396 2.837 20 10 CFCDRN CN(C)c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1 ZINC000920241441 624704181 /nfs/dbraw/zinc/70/41/81/624704181.db2.gz HCMASKXQAAOVCD-UHFFFAOYSA-N 0 0 297.337 2.594 20 10 CFCDRN CCCCCCNC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121390643 624727795 /nfs/dbraw/zinc/72/77/95/624727795.db2.gz PIKSCUDMTFOPHM-UHFFFAOYSA-N 0 0 292.379 2.548 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc(N2CCCC2)c1 ZINC000830526058 624771946 /nfs/dbraw/zinc/77/19/46/624771946.db2.gz CGIKJBIOADXKPD-UHFFFAOYSA-N 0 0 296.370 2.922 20 10 CFCDRN Cc1cc(C)cc(CC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000830531236 624773682 /nfs/dbraw/zinc/77/36/82/624773682.db2.gz FPDVKBOPURSZKB-UHFFFAOYSA-N 0 0 299.370 2.616 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000921424039 624877657 /nfs/dbraw/zinc/87/76/57/624877657.db2.gz BLTSTPOWILATIH-GWCFXTLKSA-N 0 0 280.343 2.909 20 10 CFCDRN C[C@H]1Cc2cc(CNC(=O)C3=CC(=O)CS3)ccc2O1 ZINC000830827386 624889693 /nfs/dbraw/zinc/88/96/93/624889693.db2.gz HHMHFBWHQJKNBY-VIFPVBQESA-N 0 0 289.356 2.707 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000831178185 624968909 /nfs/dbraw/zinc/96/89/09/624968909.db2.gz LWRYWGXZZUYMFQ-HOCLYGCPSA-N 0 0 287.407 2.785 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCc3cc(F)ccc32)cc1 ZINC000237884285 624985254 /nfs/dbraw/zinc/98/52/54/624985254.db2.gz DQZBXJMSFRGGTK-UHFFFAOYSA-N 0 0 284.334 2.930 20 10 CFCDRN CN(Cc1cscn1)Cc1cc(F)ccc1O ZINC000179994722 624990157 /nfs/dbraw/zinc/99/01/57/624990157.db2.gz NBXPGLAWMGECNL-UHFFFAOYSA-N 0 0 252.314 2.620 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccoc2)c1 ZINC000170878977 625004664 /nfs/dbraw/zinc/00/46/64/625004664.db2.gz IHQNCRMZHRKWRW-SNVBAGLBSA-N 0 0 290.319 2.554 20 10 CFCDRN Cc1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000180675247 625033950 /nfs/dbraw/zinc/03/39/50/625033950.db2.gz COPFDOPGCONFPQ-HWKANZROSA-N 0 0 276.317 2.515 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2OC3CCC2CC3)cc1 ZINC000831503834 625037225 /nfs/dbraw/zinc/03/72/25/625037225.db2.gz PLGHNRMGKXPVEH-UHFFFAOYSA-N 0 0 288.307 2.548 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000180847031 625042948 /nfs/dbraw/zinc/04/29/48/625042948.db2.gz MANZEXSHUXXUCG-FZBZROKSSA-N 0 0 287.359 2.760 20 10 CFCDRN CCOC(=O)c1cnc(S[C@@H]2CCCOC2)s1 ZINC000853473867 635009552 /nfs/dbraw/zinc/00/95/52/635009552.db2.gz UESMTNFWGIRMLR-MRVPVSSYSA-N 0 0 273.379 2.591 20 10 CFCDRN COc1ccc(N(CCn2ccccc2=O)CC2CC2)cc1 ZINC000831588378 625061375 /nfs/dbraw/zinc/06/13/75/625061375.db2.gz YUUGQFUNIVGDNE-UHFFFAOYSA-N 0 0 298.386 2.774 20 10 CFCDRN COc1ccc(N(Cc2ccnn2C)CC2CC2)cc1 ZINC000831588382 625061547 /nfs/dbraw/zinc/06/15/47/625061547.db2.gz YZCXUTXEASLTQB-UHFFFAOYSA-N 0 0 271.364 2.845 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC1(C)C ZINC000831930870 625182465 /nfs/dbraw/zinc/18/24/65/625182465.db2.gz JXTLIAHUQIRHGC-ZYHUDNBSSA-N 0 0 277.364 2.581 20 10 CFCDRN CCCNc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000831998430 625202289 /nfs/dbraw/zinc/20/22/89/625202289.db2.gz LFAMOMJAJBVWBL-UHFFFAOYSA-N 0 0 297.402 2.950 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000075978539 625210991 /nfs/dbraw/zinc/21/09/91/625210991.db2.gz KEXJHQJESYUWIY-IUODEOHRSA-N 0 0 275.396 2.740 20 10 CFCDRN Cc1cc(O)c(CNc2nnc([C@H]3CCCO3)o2)cc1C ZINC000181804165 625218192 /nfs/dbraw/zinc/21/81/92/625218192.db2.gz NETCSUOUEARNHX-CYBMUJFWSA-N 0 0 289.335 2.856 20 10 CFCDRN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)C2=CC(=O)CS2)C1 ZINC000832189394 625239882 /nfs/dbraw/zinc/23/98/82/625239882.db2.gz IAMCARWUFCTUOZ-ZUZCIYMTSA-N 0 0 297.420 2.761 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000832249708 625253535 /nfs/dbraw/zinc/25/35/35/625253535.db2.gz ARLOUAUOLDICHY-CQSZACIVSA-N 0 0 267.332 2.722 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)cc1[O-] ZINC000185460060 625729361 /nfs/dbraw/zinc/72/93/61/625729361.db2.gz WRUHKPJGLRFOHH-PFEFGLNJSA-N 0 0 251.301 2.502 20 10 CFCDRN CCONC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000073083908 625770976 /nfs/dbraw/zinc/77/09/76/625770976.db2.gz UIXSJWRBULXRPO-UHFFFAOYSA-N 0 0 288.347 2.784 20 10 CFCDRN CCS[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185798108 625778992 /nfs/dbraw/zinc/77/89/92/625778992.db2.gz WLPHHOVLWGRJEG-MNOVXSKESA-N 0 0 295.404 2.892 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000834882564 625908097 /nfs/dbraw/zinc/90/80/97/625908097.db2.gz RPXATEINTANMDP-ZBEGNZNMSA-N 0 0 295.379 2.645 20 10 CFCDRN CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834882978 625908364 /nfs/dbraw/zinc/90/83/64/625908364.db2.gz FPXHNUKCAQUXMH-LOWVWBTDSA-N 0 0 277.364 2.876 20 10 CFCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834905745 625918009 /nfs/dbraw/zinc/91/80/09/625918009.db2.gz UKNBSJFMHARXLA-NWDGAFQWSA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834905747 625918571 /nfs/dbraw/zinc/91/85/71/625918571.db2.gz UKNBSJFMHARXLA-RYUDHWBXSA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2c1c(F)ccc2O ZINC000834914561 625921401 /nfs/dbraw/zinc/92/14/01/625921401.db2.gz OBUFMYOSWUTKKO-JTLRNRKASA-N 0 0 265.328 2.583 20 10 CFCDRN CC(C)(CC(F)(F)F)C(=O)NCCc1ccc(N)cc1 ZINC000851632235 634464354 /nfs/dbraw/zinc/46/43/54/634464354.db2.gz ODALWRBUDPXCDD-UHFFFAOYSA-N 0 0 288.313 2.906 20 10 CFCDRN Cc1cnc(COC(=O)c2ccc(C)c(O)c2O)s1 ZINC000771939129 625992497 /nfs/dbraw/zinc/99/24/97/625992497.db2.gz UWMBMDFNRRXMLW-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN CN(C[C@@H]1CCc2ccccc21)C(=O)Cc1ccc(N)cc1 ZINC000851647398 634472016 /nfs/dbraw/zinc/47/20/16/634472016.db2.gz KPESZOMKGLCXFI-INIZCTEOSA-N 0 0 294.398 3.000 20 10 CFCDRN CCC(CC)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186389301 626039012 /nfs/dbraw/zinc/03/90/12/626039012.db2.gz XPHPMALUSMKYGH-LLVKDONJSA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCC(F)CC1 ZINC000851648018 634473075 /nfs/dbraw/zinc/47/30/75/634473075.db2.gz RQADPGNSAUENSY-LMWSTFAQSA-N 0 0 278.371 2.844 20 10 CFCDRN COc1ccncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922144590 626217316 /nfs/dbraw/zinc/21/73/16/626217316.db2.gz JAYMJLSOEXQGPQ-UHFFFAOYSA-N 0 0 284.359 2.705 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21 ZINC000186947326 626407095 /nfs/dbraw/zinc/40/70/95/626407095.db2.gz JGCVPFCEJSVDCH-SNVBAGLBSA-N 0 0 269.300 2.862 20 10 CFCDRN COc1cccc(NC(=S)NCc2ncccc2C)c1 ZINC000244138503 626413957 /nfs/dbraw/zinc/41/39/57/626413957.db2.gz UNWDRILADXTXKB-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN CCC(C)(C)NC(=S)N(C)Cc1ccccc1O ZINC000774157800 626417129 /nfs/dbraw/zinc/41/71/29/626417129.db2.gz OICXDJBUJXDZOZ-UHFFFAOYSA-N 0 0 266.410 2.887 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC(C)(C)C1 ZINC000838146305 626487995 /nfs/dbraw/zinc/48/79/95/626487995.db2.gz LREMEBUKYIVPGH-ALCCZGGFSA-N 0 0 275.348 2.758 20 10 CFCDRN Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)nc1C ZINC000838752578 626504693 /nfs/dbraw/zinc/50/46/93/626504693.db2.gz LBNZVJSIVIYIDX-UHFFFAOYSA-N 0 0 299.374 2.746 20 10 CFCDRN COc1ccc(N(C)CCn2cc(Cl)cn2)c(OC)c1 ZINC000838900403 626514901 /nfs/dbraw/zinc/51/49/01/626514901.db2.gz FLIPKSPMGBVKNB-UHFFFAOYSA-N 0 0 295.770 2.690 20 10 CFCDRN Cc1noc(C2CN(C/C=C/c3ccc(N(C)C)cc3)C2)n1 ZINC000839131260 626527763 /nfs/dbraw/zinc/52/77/63/626527763.db2.gz QRFOUCTZBRVVHU-SNAWJCMRSA-N 0 0 298.390 2.557 20 10 CFCDRN C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC=CCC1 ZINC000839190741 626530446 /nfs/dbraw/zinc/53/04/46/626530446.db2.gz ADCCHMHMZVHZCV-AWEZNQCLSA-N 0 0 262.309 2.889 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840819881 626532410 /nfs/dbraw/zinc/53/24/10/626532410.db2.gz CPSVEKLOONIODI-CKLFPEKLSA-N 0 0 271.307 2.889 20 10 CFCDRN Cc1c(F)ccc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000839437994 626536585 /nfs/dbraw/zinc/53/65/85/626536585.db2.gz CNTCCWVCFHWXQB-YVMONPNESA-N 0 0 299.349 2.860 20 10 CFCDRN C[C@@H](NC(=O)OC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000805066928 626541860 /nfs/dbraw/zinc/54/18/60/626541860.db2.gz DNUWKCREFJFABW-DOMZBBRYSA-N 0 0 292.379 2.719 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000756985733 626543020 /nfs/dbraw/zinc/54/30/20/626543020.db2.gz IBFZOAJSQSWRPL-AAEUAGOBSA-N 0 0 262.353 2.770 20 10 CFCDRN COCCCCN1CCCc2cc(OC)cc(OC)c21 ZINC000839656087 626549676 /nfs/dbraw/zinc/54/96/76/626549676.db2.gz GLAAGHYYJMCGDM-UHFFFAOYSA-N 0 0 279.380 2.883 20 10 CFCDRN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC000839789608 626555665 /nfs/dbraw/zinc/55/56/65/626555665.db2.gz BJRRAXKZOPIVDY-GASCZTMLSA-N 0 0 298.386 2.656 20 10 CFCDRN CCO[C@@H](C)c1noc(COc2ccc(N(C)C)cc2)n1 ZINC000757701576 626559498 /nfs/dbraw/zinc/55/94/98/626559498.db2.gz BJIQFTIBYPLEHT-NSHDSACASA-N 0 0 291.351 2.812 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)c3ccccc32)cn1 ZINC000757772568 626562640 /nfs/dbraw/zinc/56/26/40/626562640.db2.gz OVGDPRQMDIQALQ-HJWRWDBZSA-N 0 0 281.359 2.758 20 10 CFCDRN COc1ccc(N(C)Cc2ccn(C)c(=O)c2)cc1Cl ZINC000757857826 626565526 /nfs/dbraw/zinc/56/55/26/626565526.db2.gz PELZLEOONYKYBO-UHFFFAOYSA-N 0 0 292.766 2.684 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1c(C)noc1C ZINC000757923867 626568188 /nfs/dbraw/zinc/56/81/88/626568188.db2.gz BQVDSCGXPQQCJU-JTQLQIEISA-N 0 0 280.349 2.940 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(F)F ZINC000757945041 626569594 /nfs/dbraw/zinc/56/95/94/626569594.db2.gz JLEWAIIRSGLYQS-UHFFFAOYSA-N 0 0 270.323 2.723 20 10 CFCDRN COc1cc(C)ccc1CNC(=O)C1=CC(=O)CS1 ZINC000758313073 626588001 /nfs/dbraw/zinc/58/80/01/626588001.db2.gz FUPJZSJPESLOOY-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cn1 ZINC000758472239 626595244 /nfs/dbraw/zinc/59/52/44/626595244.db2.gz SWFMDNMQXSXJGQ-UHFFFAOYSA-N 0 0 286.331 2.803 20 10 CFCDRN O=C(OC/C(Cl)=C/Cl)c1cccc(O)c1O ZINC000758546732 626598112 /nfs/dbraw/zinc/59/81/12/626598112.db2.gz IONLPGRZZXMCIH-XQRVVYSFSA-N 0 0 263.076 2.574 20 10 CFCDRN O=C(CCC1CCCC1)COC(=O)c1cccc(O)c1O ZINC000758559274 626598289 /nfs/dbraw/zinc/59/82/89/626598289.db2.gz RWEQPQAJACRMMW-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN Cc1csc([C@@H](C)CNC(=O)C2=CC(=O)CS2)n1 ZINC000758694692 626603167 /nfs/dbraw/zinc/60/31/67/626603167.db2.gz FUIDUBYZGOCDDA-ZETCQYMHSA-N 0 0 282.390 2.752 20 10 CFCDRN CCCN(CC(=O)OC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000758759483 626606262 /nfs/dbraw/zinc/60/62/62/626606262.db2.gz LSPBVQIJQZEPLZ-UHFFFAOYSA-N 0 0 299.392 2.648 20 10 CFCDRN C[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F ZINC000759587935 626673613 /nfs/dbraw/zinc/67/36/13/626673613.db2.gz FZYXEIBWLGIQAA-NHLYECAPSA-N 0 0 290.237 2.853 20 10 CFCDRN O=C(/C=C/c1ccc(Cl)nc1)NCc1ccccc1O ZINC000759607814 626675485 /nfs/dbraw/zinc/67/54/85/626675485.db2.gz HYSYJWISPNHZBP-SOFGYWHQSA-N 0 0 288.734 2.770 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC000759693139 626684297 /nfs/dbraw/zinc/68/42/97/626684297.db2.gz SHJXPSWPRWZMEY-AWEZNQCLSA-N 0 0 258.365 2.559 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC34CCC4)ccc21 ZINC000759767991 626689865 /nfs/dbraw/zinc/68/98/65/626689865.db2.gz LRJJDGHOSSMOOZ-HNNXBMFYSA-N 0 0 284.403 2.875 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000759989056 626707521 /nfs/dbraw/zinc/70/75/21/626707521.db2.gz OVXGPUHGSGIDFT-MRVPVSSYSA-N 0 0 264.266 2.932 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(O)cc1 ZINC000760124303 626715128 /nfs/dbraw/zinc/71/51/28/626715128.db2.gz AZVZLAIXVNNYOT-UHFFFAOYSA-N 0 0 298.386 2.626 20 10 CFCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1cccc2ncccc21 ZINC000760641542 626760702 /nfs/dbraw/zinc/76/07/02/626760702.db2.gz PPZLGYQYNZVOMB-HJWRWDBZSA-N 0 0 292.342 2.645 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(C)cn2)cc1F ZINC000760846470 626777157 /nfs/dbraw/zinc/77/71/57/626777157.db2.gz HGKMTOUYGXKEJD-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000762275515 626908928 /nfs/dbraw/zinc/90/89/28/626908928.db2.gz SLCPSXXUOKNXHY-GXTWGEPZSA-N 0 0 291.391 2.973 20 10 CFCDRN CCC[C@](C)(NCc1ccc(OC)c(C)c1)C(=O)OC ZINC000762790315 626937525 /nfs/dbraw/zinc/93/75/25/626937525.db2.gz KILACMACEGPKER-INIZCTEOSA-N 0 0 279.380 2.825 20 10 CFCDRN Cc1cc(C)nc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000762800058 626938614 /nfs/dbraw/zinc/93/86/14/626938614.db2.gz KBBYAGCOIFQZDM-NSHDSACASA-N 0 0 273.336 2.548 20 10 CFCDRN CCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC000762799884 626938616 /nfs/dbraw/zinc/93/86/16/626938616.db2.gz DIMYOBHRDCHUDE-JTQLQIEISA-N 0 0 287.363 2.802 20 10 CFCDRN COc1ccc(N(C)CCCn2ccnc2C)cc1OC ZINC000762916123 626949314 /nfs/dbraw/zinc/94/93/14/626949314.db2.gz GAKPKGBNMMPCAU-UHFFFAOYSA-N 0 0 289.379 2.735 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000763924424 627022123 /nfs/dbraw/zinc/02/21/23/627022123.db2.gz UZTDBDHJQJXKAE-XPTSAGLGSA-N 0 0 297.782 2.763 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2COC(C)(C)O2)cc1F ZINC000851807595 634541535 /nfs/dbraw/zinc/54/15/35/634541535.db2.gz FVELTXQNTRUSMM-LBPRGKRZSA-N 0 0 283.343 2.812 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nc(C)n2)cc1F ZINC000851807879 634541778 /nfs/dbraw/zinc/54/17/78/634541778.db2.gz IZANWXRCOYNOMY-UHFFFAOYSA-N 0 0 275.327 2.878 20 10 CFCDRN CCO[C@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)C12CCC2 ZINC000764341308 627052133 /nfs/dbraw/zinc/05/21/33/627052133.db2.gz GBVREECAQRTQHN-OLZOCXBDSA-N 0 0 295.404 2.873 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C(C)(C)C ZINC000764895436 627105493 /nfs/dbraw/zinc/10/54/93/627105493.db2.gz RCKOLPOOFWRDCF-HNNXBMFYSA-N 0 0 292.423 2.508 20 10 CFCDRN CCN(C[C@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1 ZINC000851827233 634550230 /nfs/dbraw/zinc/55/02/30/634550230.db2.gz DBROKACVHHWZAQ-ZDUSSCGKSA-N 0 0 295.379 2.682 20 10 CFCDRN CCN(Cc1cc(C)n(C)n1)c1ccc(OC)c(OC)c1 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ZINC000784165364 628787556 /nfs/dbraw/zinc/78/75/56/628787556.db2.gz VUVWUCTZUOYAOQ-BXUZGUMPSA-N 0 0 266.360 2.924 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCCCSc1nccs1 ZINC000784410200 628814975 /nfs/dbraw/zinc/81/49/75/628814975.db2.gz DQXQVPWBQLATRE-VIFPVBQESA-N 0 0 276.402 2.736 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000784440774 628817207 /nfs/dbraw/zinc/81/72/07/628817207.db2.gz BTVQGADTTYUSKL-HNNXBMFYSA-N 0 0 279.355 2.881 20 10 CFCDRN C[C@@H]1CCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784753446 628841193 /nfs/dbraw/zinc/84/11/93/628841193.db2.gz HLYCNMGRPNLVCN-MNOVXSKESA-N 0 0 292.331 2.650 20 10 CFCDRN O=C(C[C@H]1C=CCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784831632 628844511 /nfs/dbraw/zinc/84/45/11/628844511.db2.gz DIKKUDBXYAXHTE-NSHDSACASA-N 0 0 290.315 2.570 20 10 CFCDRN COCCSCCCN(C)c1ccc(OC)c(OC)c1 ZINC000785669191 628902746 /nfs/dbraw/zinc/90/27/46/628902746.db2.gz HSDDORNSZIJBTF-UHFFFAOYSA-N 0 0 299.436 2.910 20 10 CFCDRN CCOc1ccc(N(C)CCOCC(F)F)cc1 ZINC000787252407 629002034 /nfs/dbraw/zinc/00/20/34/629002034.db2.gz WQKDBSGWXPSYQD-UHFFFAOYSA-N 0 0 259.296 2.803 20 10 CFCDRN C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805863740 629060357 /nfs/dbraw/zinc/06/03/57/629060357.db2.gz LAKQFNZBOYWXEZ-WFASDCNBSA-N 0 0 275.396 2.693 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccnc1C(F)(F)F ZINC000788588815 629084031 /nfs/dbraw/zinc/08/40/31/629084031.db2.gz ZVDVLLNEHKKFNW-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN C[C@@H]([NH2+]CCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000788794249 629100185 /nfs/dbraw/zinc/10/01/85/629100185.db2.gz FTFGQYQJUFPHEP-SECBINFHSA-N 0 0 277.286 2.834 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(C(N)=O)c(F)c2)c1 ZINC000788865921 629105648 /nfs/dbraw/zinc/10/56/48/629105648.db2.gz UNWUTBKODCZDSV-UHFFFAOYSA-N 0 0 274.295 2.551 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1ccc(C)c(C)c1O ZINC000788986263 629114659 /nfs/dbraw/zinc/11/46/59/629114659.db2.gz WUTAIFZXMDIWGC-LLVKDONJSA-N 0 0 275.352 2.924 20 10 CFCDRN Oc1ccc(Cl)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000789761236 629186162 /nfs/dbraw/zinc/18/61/62/629186162.db2.gz DHESMZUYYIWYQG-CQSZACIVSA-N 0 0 289.762 2.969 20 10 CFCDRN O=C(NCc1ccc(Cl)cc1)c1c(F)ccc(O)c1O ZINC000789942856 629199195 /nfs/dbraw/zinc/19/91/95/629199195.db2.gz RMKURRZFDRUWBW-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN CCCC1(CNC(=O)c2c(F)ccc(O)c2O)CCC1 ZINC000790070502 629207981 /nfs/dbraw/zinc/20/79/81/629207981.db2.gz AHZRQOJXCHZQST-UHFFFAOYSA-N 0 0 281.327 2.937 20 10 CFCDRN COc1ccc(O)c(CNC(=S)Nc2ccsc2)c1 ZINC000790317678 629232013 /nfs/dbraw/zinc/23/20/13/629232013.db2.gz GXQDWIUVTPFBNT-UHFFFAOYSA-N 0 0 294.401 2.949 20 10 CFCDRN O=C(Nc1ccc2ccccc2n1)c1cccc(O)c1O ZINC000790477426 629241798 /nfs/dbraw/zinc/24/17/98/629241798.db2.gz FFBFKBWKAOVFAK-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000790572351 629248847 /nfs/dbraw/zinc/24/88/47/629248847.db2.gz XEICJYCFESJTIH-AWEZNQCLSA-N 0 0 299.326 2.781 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000790572352 629248922 /nfs/dbraw/zinc/24/89/22/629248922.db2.gz XEICJYCFESJTIH-CQSZACIVSA-N 0 0 299.326 2.781 20 10 CFCDRN O=C(NC[C@H]1CCc2ccccc2C1)c1cccc(O)c1O ZINC000790742269 629259445 /nfs/dbraw/zinc/25/94/45/629259445.db2.gz ULYZZZYGKCNMSW-LBPRGKRZSA-N 0 0 297.354 2.633 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000790785317 629262474 /nfs/dbraw/zinc/26/24/74/629262474.db2.gz LMBVCKVFXUPTPG-PBHICJAKSA-N 0 0 283.327 2.558 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000790833293 629268497 /nfs/dbraw/zinc/26/84/97/629268497.db2.gz CBUFTMISFPMXEH-JTNHKYCSSA-N 0 0 261.369 2.521 20 10 CFCDRN C[C@@H](C1CC1)n1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC000790944509 629272963 /nfs/dbraw/zinc/27/29/63/629272963.db2.gz AICBQQBBKKMVGA-VIFPVBQESA-N 0 0 287.319 2.518 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000790954024 629273439 /nfs/dbraw/zinc/27/34/39/629273439.db2.gz ITLXGSGOXYEVDT-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCCO1 ZINC000790955125 629273646 /nfs/dbraw/zinc/27/36/46/629273646.db2.gz BFFXFHQPWZNKFZ-VIFPVBQESA-N 0 0 273.735 2.843 20 10 CFCDRN Cc1noc(CCC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000790959936 629274312 /nfs/dbraw/zinc/27/43/12/629274312.db2.gz MACKNJRGWYAPAB-UHFFFAOYSA-N 0 0 299.733 2.599 20 10 CFCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cnn(C)c1 ZINC000790970754 629275562 /nfs/dbraw/zinc/27/55/62/629275562.db2.gz FEBQYFCWZROGCN-QMMMGPOBSA-N 0 0 283.734 2.769 20 10 CFCDRN COC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790972007 629276127 /nfs/dbraw/zinc/27/61/27/629276127.db2.gz DHALSPRIAJIIFE-LLVKDONJSA-N 0 0 275.751 2.945 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982654 629277323 /nfs/dbraw/zinc/27/73/23/629277323.db2.gz WKALEEJSTPOGFU-BDAKNGLRSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790986683 629277954 /nfs/dbraw/zinc/27/79/54/629277954.db2.gz SXSRSNDYWRVRDS-SDBXPKJASA-N 0 0 273.735 2.842 20 10 CFCDRN CC[C@@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835026662 629322289 /nfs/dbraw/zinc/32/22/89/629322289.db2.gz ZHUFLWDMMCVCMS-SQRWCISFSA-N 0 0 274.408 2.877 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2[C@H](C)C[C@@H]2C)c1O ZINC000791564869 629333130 /nfs/dbraw/zinc/33/31/30/629333130.db2.gz ASIWCCAIKALJGH-DTORHVGOSA-N 0 0 251.301 2.717 20 10 CFCDRN CN(C)CC(C)(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000835070970 629368049 /nfs/dbraw/zinc/36/80/49/629368049.db2.gz VTNCOODKUJBWHF-UHFFFAOYSA-N 0 0 274.767 2.615 20 10 CFCDRN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000792029609 629390311 /nfs/dbraw/zinc/39/03/11/629390311.db2.gz XXUKUHFCYPTUCM-ZIAGYGMSSA-N 0 0 287.407 2.979 20 10 CFCDRN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792059731 629394207 /nfs/dbraw/zinc/39/42/07/629394207.db2.gz ULPCIZOEYOKZBM-PHIMTYICSA-N 0 0 279.359 2.584 20 10 CFCDRN COC[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167977 629404924 /nfs/dbraw/zinc/40/49/24/629404924.db2.gz VQOGZXZHFJLHAF-SECBINFHSA-N 0 0 273.735 2.653 20 10 CFCDRN CC[C@@]1(O)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179764 629406830 /nfs/dbraw/zinc/40/68/30/629406830.db2.gz MQFCNESJDVKRNT-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1nccc(C)n1 ZINC000792226206 629412415 /nfs/dbraw/zinc/41/24/15/629412415.db2.gz POXLZYWYTQBLOS-UHFFFAOYSA-N 0 0 285.347 2.543 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)cn1 ZINC000792451112 629426295 /nfs/dbraw/zinc/42/62/95/629426295.db2.gz TZDUYDRPQVYMTQ-MRVPVSSYSA-N 0 0 292.722 2.637 20 10 CFCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C2CC2)O1 ZINC000793217075 629506610 /nfs/dbraw/zinc/50/66/10/629506610.db2.gz CLAHYJWMRIHKKJ-SJCJKPOMSA-N 0 0 292.398 2.891 20 10 CFCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])C(=O)N1CCCC1 ZINC000793394606 629536917 /nfs/dbraw/zinc/53/69/17/629536917.db2.gz HRBGDJJFLUYQBD-UHFFFAOYSA-N 0 0 296.798 2.536 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C(C)C)[nH]1 ZINC000794272778 629629959 /nfs/dbraw/zinc/62/99/59/629629959.db2.gz YDUVRAVBJRTFIW-UHFFFAOYSA-N 0 0 286.379 2.890 20 10 CFCDRN CCC/C(C)=C/C(=O)NCc1ccc(OC)cc1O ZINC000794380940 629642159 /nfs/dbraw/zinc/64/21/59/629642159.db2.gz GCIVFUIWLKETJC-DHZHZOJOSA-N 0 0 263.337 2.763 20 10 CFCDRN COc1ccc(CNC(=O)C2CCC(F)(F)CC2)c(O)c1 ZINC000794378798 629642192 /nfs/dbraw/zinc/64/21/92/629642192.db2.gz FKTYUDJSGVLZNF-UHFFFAOYSA-N 0 0 299.317 2.843 20 10 CFCDRN COc1ccc(CNC(=O)c2oc(C)cc2C)c(O)c1 ZINC000794387499 629642701 /nfs/dbraw/zinc/64/27/01/629642701.db2.gz JXTKSXZUMLJWJO-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](C)C2CCCC2)c(O)c1 ZINC000794391647 629643444 /nfs/dbraw/zinc/64/34/44/629643444.db2.gz ZPZIBEKSFDUFKN-NSHDSACASA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1cnc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000794448900 629647851 /nfs/dbraw/zinc/64/78/51/629647851.db2.gz JJIKYBZBOXIYTD-CYBMUJFWSA-N 0 0 298.390 2.811 20 10 CFCDRN CCn1ncnc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000794842030 629693383 /nfs/dbraw/zinc/69/33/83/629693383.db2.gz OZCVIUHOSDCGGV-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN CCc1cc(C)nc(NCc2ccc(OC)cc2O)n1 ZINC000795286031 629756864 /nfs/dbraw/zinc/75/68/64/629756864.db2.gz XZHIBBREPCJZMX-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN COc1ccc(CNc2noc(C(C)(C)C)n2)c(O)c1 ZINC000795283622 629757378 /nfs/dbraw/zinc/75/73/78/629757378.db2.gz DVDOYUVHUZBVHU-UHFFFAOYSA-N 0 0 277.324 2.693 20 10 CFCDRN COc1ccc(CNc2ccnc(C(C)C)n2)c(O)c1 ZINC000795292098 629757931 /nfs/dbraw/zinc/75/79/31/629757931.db2.gz MNCTZRPXUFGBMA-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000795670423 629820336 /nfs/dbraw/zinc/82/03/36/629820336.db2.gz HIJGWTOFOASCGU-BETUJISGSA-N 0 0 272.348 2.550 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC(=O)c1cccn1C ZINC000796321759 629903684 /nfs/dbraw/zinc/90/36/84/629903684.db2.gz BDXCKCUENHGOLN-UHFFFAOYSA-N 0 0 284.359 2.669 20 10 CFCDRN C[C@@H]1COCC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000796497280 629926070 /nfs/dbraw/zinc/92/60/70/629926070.db2.gz IMVLCMXJWHVNMD-ZJUUUORDSA-N 0 0 287.762 2.947 20 10 CFCDRN CC[C@H]([NH2+]CCN1CCCC1)c1ccc(F)cc1[O-] ZINC000796671938 629948947 /nfs/dbraw/zinc/94/89/47/629948947.db2.gz JTHCYFQECYYREQ-AWEZNQCLSA-N 0 0 266.360 2.668 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000796770635 629963621 /nfs/dbraw/zinc/96/36/21/629963621.db2.gz FKRTWVCMLOFMIX-ZDUSSCGKSA-N 0 0 263.316 2.804 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccc(F)cc1[O-] ZINC000796848997 629978346 /nfs/dbraw/zinc/97/83/46/629978346.db2.gz SFRKLLRAWIFHEV-AWEZNQCLSA-N 0 0 275.327 2.871 20 10 CFCDRN CC[C@H]([NH2+]CC1(CO)CCC1)c1ccc(F)cc1[O-] ZINC000796935628 629991862 /nfs/dbraw/zinc/99/18/62/629991862.db2.gz HYTAIFLWGKUWDM-ZDUSSCGKSA-N 0 0 267.344 2.735 20 10 CFCDRN CC[C@@H](Nc1cn(C)nc1OC)c1ccc(F)cc1O ZINC000796960252 629996345 /nfs/dbraw/zinc/99/63/45/629996345.db2.gz DMEYIWNLROYBIP-LLVKDONJSA-N 0 0 279.315 2.837 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797128801 630022648 /nfs/dbraw/zinc/02/26/48/630022648.db2.gz 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/nfs/dbraw/zinc/26/45/36/630264536.db2.gz CTUOOTVHZSAXMF-QWRGUYRKSA-N 0 0 294.351 2.835 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000798961740 630264725 /nfs/dbraw/zinc/26/47/25/630264725.db2.gz CTUOOTVHZSAXMF-WDEREUQCSA-N 0 0 294.351 2.835 20 10 CFCDRN Cn1c2cc(NCc3ccccc3O)ccc2[nH]c1=O ZINC000799740645 630342134 /nfs/dbraw/zinc/34/21/34/630342134.db2.gz XIKNLIFOAYNSCY-UHFFFAOYSA-N 0 0 269.304 2.597 20 10 CFCDRN CCCC[C@@H](Sc1ncc([N+](=O)[O-])s1)C(=O)OC ZINC000799959866 630356106 /nfs/dbraw/zinc/35/61/06/630356106.db2.gz AXRVGXFDKPBXIB-SSDOTTSWSA-N 0 0 290.366 2.875 20 10 CFCDRN C[C@@H]1CCN(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000799999979 630360192 /nfs/dbraw/zinc/36/01/92/630360192.db2.gz YZMLXVIEUQZNCE-CYBMUJFWSA-N 0 0 275.396 2.646 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)COC ZINC000800802488 630405857 /nfs/dbraw/zinc/40/58/57/630405857.db2.gz NYQDKFYCLHXMAY-CYBMUJFWSA-N 0 0 294.395 2.739 20 10 CFCDRN CC(C)Oc1ccc(N(C)CCc2ccnn2C)cc1 ZINC000801951207 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CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296790 631377302 /nfs/dbraw/zinc/37/73/02/631377302.db2.gz YYLHISDARCMDCW-GJZGRUSLSA-N 0 0 291.395 2.984 20 10 CFCDRN COCC1(CCNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000841298671 631377434 /nfs/dbraw/zinc/37/74/34/631377434.db2.gz DBPOSNVORWTAAC-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298653 631377668 /nfs/dbraw/zinc/37/76/68/631377668.db2.gz COQNCHKHXFBIRA-DOMZBBRYSA-N 0 0 277.368 2.594 20 10 CFCDRN Nc1ccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1 ZINC000841299238 631377685 /nfs/dbraw/zinc/37/76/85/631377685.db2.gz XOLFZARXFCDTRV-DOMZBBRYSA-N 0 0 291.395 2.722 20 10 CFCDRN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298864 631377720 /nfs/dbraw/zinc/37/77/20/631377720.db2.gz DPJQTTSTOZURTP-KBPBESRZSA-N 0 0 291.395 2.936 20 10 CFCDRN CC(C)[C@@H](CO)[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300057 631377846 /nfs/dbraw/zinc/37/78/46/631377846.db2.gz RJTXDPQAQJVNQO-CABCVRRESA-N 0 0 293.411 2.679 20 10 CFCDRN Nc1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000841298890 631377853 /nfs/dbraw/zinc/37/78/53/631377853.db2.gz SUTCGDYKZYPJPZ-UHFFFAOYSA-N 0 0 299.378 2.902 20 10 CFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 ZINC000841300166 631378608 /nfs/dbraw/zinc/37/86/08/631378608.db2.gz PMTGXWWPNQYSRP-CQSZACIVSA-N 0 0 291.395 2.986 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CC(C)C)OC)c1 ZINC000841405663 631401022 /nfs/dbraw/zinc/40/10/22/631401022.db2.gz NXMZLJZYYNOCBL-XHDPSFHLSA-N 0 0 295.379 2.639 20 10 CFCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000841459400 631408519 /nfs/dbraw/zinc/40/85/19/631408519.db2.gz CDIAELYLUIWWQP-PWGZABRUSA-N 0 0 275.348 2.614 20 10 CFCDRN COC(=O)c1cnc(S[C@H]2CCC(C)(C)C2=O)s1 ZINC000840210171 631447607 /nfs/dbraw/zinc/44/76/07/631447607.db2.gz QKIRNQYAQAKHTD-ZETCQYMHSA-N 0 0 285.390 2.780 20 10 CFCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000841716519 631456951 /nfs/dbraw/zinc/45/69/51/631456951.db2.gz RLOQQZRNDHSCKE-MCIONIFRSA-N 0 0 289.423 2.939 20 10 CFCDRN COC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744696 631463576 /nfs/dbraw/zinc/46/35/76/631463576.db2.gz KBVRCAVFAGDJRJ-NXEZZACHSA-N 0 0 257.761 2.979 20 10 CFCDRN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841749471 631464476 /nfs/dbraw/zinc/46/44/76/631464476.db2.gz FDOSIDROSCDKKA-JTQLQIEISA-N 0 0 298.814 2.859 20 10 CFCDRN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754179 631466621 /nfs/dbraw/zinc/46/66/21/631466621.db2.gz IJEUOMCZXIQMQF-UWVGGRQHSA-N 0 0 257.761 2.715 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758383 631468074 /nfs/dbraw/zinc/46/80/74/631468074.db2.gz SLWJYIADBHMPFF-QWRGUYRKSA-N 0 0 271.788 2.961 20 10 CFCDRN COc1ccc(C[NH2+]CC2(CC(=O)[O-])CCC2)cc1C ZINC000841794501 631472373 /nfs/dbraw/zinc/47/23/73/631472373.db2.gz HNNWXFRYHULNNE-UHFFFAOYSA-N 0 0 277.364 2.738 20 10 CFCDRN COc1ccc(C[NH2+]CCCC(C)(C)C(=O)[O-])cc1C ZINC000841794589 631472908 /nfs/dbraw/zinc/47/29/08/631472908.db2.gz ZPHYDVPKZBSSDV-UHFFFAOYSA-N 0 0 279.380 2.984 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000841809492 631474478 /nfs/dbraw/zinc/47/44/78/631474478.db2.gz ZIKNSIZSYNOPQR-INIZCTEOSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000841817751 631475279 /nfs/dbraw/zinc/47/52/79/631475279.db2.gz LDMWIFQQAVETPF-LBPRGKRZSA-N 0 0 275.396 2.689 20 10 CFCDRN CC(C)CC1(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841858758 631482169 /nfs/dbraw/zinc/48/21/69/631482169.db2.gz TWRPUMJYSRXVIL-UHFFFAOYSA-N 0 0 289.423 2.937 20 10 CFCDRN CCC(C)(C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841886289 631486652 /nfs/dbraw/zinc/48/66/52/631486652.db2.gz LADXJAGTWMNNDA-UHFFFAOYSA-N 0 0 263.385 2.547 20 10 CFCDRN C[C@H]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841889307 631488140 /nfs/dbraw/zinc/48/81/40/631488140.db2.gz BCXGYUXTCPFTMX-GXTWGEPZSA-N 0 0 275.396 2.547 20 10 CFCDRN CC(C)(C)C(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955693 631495330 /nfs/dbraw/zinc/49/53/30/631495330.db2.gz KCCZBWUDKUVPKC-UHFFFAOYSA-N 0 0 277.412 2.935 20 10 CFCDRN C[C@H](c1cccnc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956789 631496802 /nfs/dbraw/zinc/49/68/02/631496802.db2.gz IJBGFKMDAPTBIV-CYBMUJFWSA-N 0 0 298.390 2.609 20 10 CFCDRN CC[C@@]1(C)CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960401 631496818 /nfs/dbraw/zinc/49/68/18/631496818.db2.gz OVUKMDXPQVBHTQ-INIZCTEOSA-N 0 0 275.396 2.643 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000841957088 631496829 /nfs/dbraw/zinc/49/68/29/631496829.db2.gz NKUXVOVRXPHSKV-INIZCTEOSA-N 0 0 299.418 2.785 20 10 CFCDRN C[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccc(N)cc1 ZINC000841963033 631497138 /nfs/dbraw/zinc/49/71/38/631497138.db2.gz UWQBMSDTJOCURS-CYBMUJFWSA-N 0 0 295.386 2.972 20 10 CFCDRN CC[C@@H]1[C@@H](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960172 631497270 /nfs/dbraw/zinc/49/72/70/631497270.db2.gz WUDDDCKAJJFIQQ-SWLSCSKDSA-N 0 0 275.396 2.641 20 10 CFCDRN CC[C@@H](CN(C)c1ccc(OC)cc1OC)OC ZINC000842152389 631553755 /nfs/dbraw/zinc/55/37/55/631553755.db2.gz GMODMUCWTAVSHA-NSHDSACASA-N 0 0 253.342 2.565 20 10 CFCDRN O=C(N[C@@H](CO)CC1CCCCC1)C1=CC(=O)CS1 ZINC000842276561 631576798 /nfs/dbraw/zinc/57/67/98/631576798.db2.gz RLKZLVKYOUAORN-LLVKDONJSA-N 0 0 283.393 2.515 20 10 CFCDRN Oc1ccc2c(c1CNc1cnccn1)CCCC2 ZINC000811808391 631625769 /nfs/dbraw/zinc/62/57/69/631625769.db2.gz HGSZUJIVVFTCJK-UHFFFAOYSA-N 0 0 255.321 2.673 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000104815031 631662856 /nfs/dbraw/zinc/66/28/56/631662856.db2.gz JUYZOJRKPASURW-UHIISALHSA-N 0 0 292.379 2.950 20 10 CFCDRN COc1ccc(F)cc1/C=C1\SC(=S)N(C)C1=O ZINC000812217771 631669522 /nfs/dbraw/zinc/66/95/22/631669522.db2.gz BNUIXHPWHJCXRK-POHAHGRESA-N 0 0 283.349 2.665 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(F)F)CCC1 ZINC000867301805 631683598 /nfs/dbraw/zinc/68/35/98/631683598.db2.gz FGMRVCUVJQAGEC-VIFPVBQESA-N 0 0 299.317 2.580 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000812271225 631684073 /nfs/dbraw/zinc/68/40/73/631684073.db2.gz WCPAKEVUVOKLNW-GFCCVEGCSA-N 0 0 263.362 2.858 20 10 CFCDRN O=C(Nc1cc(C2CC2)ccn1)c1cccc(O)c1O ZINC000812359341 631695315 /nfs/dbraw/zinc/69/53/15/631695315.db2.gz FXVIKAJRPSCMRW-UHFFFAOYSA-N 0 0 270.288 2.623 20 10 CFCDRN Cn1c2ccc(OCC3OCCO3)cc2c2c1CCCC2 ZINC000842662635 631696879 /nfs/dbraw/zinc/69/68/79/631696879.db2.gz QUSBXWUWGOPZMG-UHFFFAOYSA-N 0 0 287.359 2.809 20 10 CFCDRN CCCC[C@@](C)(CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000842745757 631726405 /nfs/dbraw/zinc/72/64/05/631726405.db2.gz FYVSCVXLHLAVPM-INIZCTEOSA-N 0 0 281.396 2.822 20 10 CFCDRN COc1cccc(O)c1CNc1cn(C)nc1C1CC1 ZINC000812777526 631771496 /nfs/dbraw/zinc/77/14/96/631771496.db2.gz NOMZJNLELSYKCN-UHFFFAOYSA-N 0 0 273.336 2.624 20 10 CFCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000812780511 631773244 /nfs/dbraw/zinc/77/32/44/631773244.db2.gz GVZFWAKBVJXEIY-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842919318 631781714 /nfs/dbraw/zinc/78/17/14/631781714.db2.gz WKDIQDDGJJVCLO-QJPTWQEYSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927415 631784536 /nfs/dbraw/zinc/78/45/36/631784536.db2.gz DMOSEYPZHLWIPW-AUTRQRHGSA-N 0 0 282.365 2.845 20 10 CFCDRN O=C(NCCCCF)NCc1ccc(N2CCCC2)cc1 ZINC000812876797 631800965 /nfs/dbraw/zinc/80/09/65/631800965.db2.gz MHTOJEUVQKRIPJ-UHFFFAOYSA-N 0 0 293.386 2.836 20 10 CFCDRN CO[C@@H](C)C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843018715 631803991 /nfs/dbraw/zinc/80/39/91/631803991.db2.gz ANKLEVNTCJFPQJ-NSHDSACASA-N 0 0 287.359 2.997 20 10 CFCDRN C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843045264 631812048 /nfs/dbraw/zinc/81/20/48/631812048.db2.gz SWRKNHJVHFOALD-SNVBAGLBSA-N 0 0 286.778 2.616 20 10 CFCDRN C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000843045812 631813691 /nfs/dbraw/zinc/81/36/91/631813691.db2.gz KTAQYRHGNRBQQW-GXFFZTMASA-N 0 0 268.788 2.747 20 10 CFCDRN CC(C)[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000843104493 631836795 /nfs/dbraw/zinc/83/67/95/631836795.db2.gz JEIKUDOYLHOWCV-CYBMUJFWSA-N 0 0 286.778 2.615 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843127328 631847134 /nfs/dbraw/zinc/84/71/34/631847134.db2.gz FEBNJMWYLODVMH-CYBMUJFWSA-N 0 0 298.789 2.949 20 10 CFCDRN Nc1ccc(Cc2noc(COC3CCCC3)n2)cc1 ZINC000843158260 631869808 /nfs/dbraw/zinc/86/98/08/631869808.db2.gz AQHXNXMMDVMMTB-UHFFFAOYSA-N 0 0 273.336 2.702 20 10 CFCDRN COCCC(C)(C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160012 631871578 /nfs/dbraw/zinc/87/15/78/631871578.db2.gz UNQXRHZQZRHSHA-UHFFFAOYSA-N 0 0 275.352 2.557 20 10 CFCDRN CSC[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159953 631871640 /nfs/dbraw/zinc/87/16/40/631871640.db2.gz SWVIRUVLPGPJOH-VIFPVBQESA-N 0 0 263.366 2.709 20 10 CFCDRN CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O ZINC000155966537 650038345 /nfs/dbraw/zinc/03/83/45/650038345.db2.gz AKTPSIXFZSQHST-HOCLYGCPSA-N 0 0 293.407 2.876 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000813480433 631924556 /nfs/dbraw/zinc/92/45/56/631924556.db2.gz LTMIBOXLQPMIDO-CYBMUJFWSA-N 0 0 289.375 2.890 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC1CC1 ZINC000813513767 631928071 /nfs/dbraw/zinc/92/80/71/631928071.db2.gz SAKALSHCOQTHPM-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@H]2C2CCC2)cc1F ZINC000843429453 631956336 /nfs/dbraw/zinc/95/63/36/631956336.db2.gz VZHDECBXFLYHKK-KRWDZBQOSA-N 0 0 292.398 2.893 20 10 CFCDRN C[C@H]1C(=O)N(C)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000843434842 631959701 /nfs/dbraw/zinc/95/97/01/631959701.db2.gz DLDPBHKEWKZAHC-ZDUSSCGKSA-N 0 0 296.370 2.679 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@H]2CCc3ccccc3C2)cc1 ZINC000843442215 631960594 /nfs/dbraw/zinc/96/05/94/631960594.db2.gz KTGOPFIZNKZHDL-HNNXBMFYSA-N 0 0 294.398 2.733 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000843513407 631971834 /nfs/dbraw/zinc/97/18/34/631971834.db2.gz CYLYDWKOEKQCGA-INIZCTEOSA-N 0 0 272.392 2.993 20 10 CFCDRN CSCCCSc1ncc([N+](=O)[O-])s1 ZINC000840313855 632017574 /nfs/dbraw/zinc/01/75/74/632017574.db2.gz XZKSGXYREIVUQZ-UHFFFAOYSA-N 0 0 250.370 2.897 20 10 CFCDRN O=C1/C(=C/c2ccccn2)SC(=S)N1C1CCC1 ZINC000814185565 632027963 /nfs/dbraw/zinc/02/79/63/632027963.db2.gz JWLMVOFFCMGIQK-FLIBITNWSA-N 0 0 276.386 2.835 20 10 CFCDRN O=C(NCCCSc1nccs1)C1(C(F)F)CC1 ZINC000843796848 632057855 /nfs/dbraw/zinc/05/78/55/632057855.db2.gz QAHPTGKECRAQSL-UHFFFAOYSA-N 0 0 292.376 2.787 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(CC)n1 ZINC000843820105 632062426 /nfs/dbraw/zinc/06/24/26/632062426.db2.gz KHEVYDVYIQOBCE-UHFFFAOYSA-N 0 0 287.363 2.661 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000843833571 632063910 /nfs/dbraw/zinc/06/39/10/632063910.db2.gz VRTPYTXTZVYILL-QWHCGFSZSA-N 0 0 291.391 2.829 20 10 CFCDRN CCC1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000840321544 632064844 /nfs/dbraw/zinc/06/48/44/632064844.db2.gz QHTUDDPGNUVYGW-ALCCZGGFSA-N 0 0 290.319 2.627 20 10 CFCDRN COc1ccc(N(C)Cc2snnc2C)cc1F ZINC000844305405 632164027 /nfs/dbraw/zinc/16/40/27/632164027.db2.gz ZSAYJVBGZKILLX-UHFFFAOYSA-N 0 0 267.329 2.631 20 10 CFCDRN C[C@@H](NCc1cc2n(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000844323099 632169640 /nfs/dbraw/zinc/16/96/40/632169640.db2.gz UANVIWBWAGBZJO-CYBMUJFWSA-N 0 0 284.407 2.746 20 10 CFCDRN CCO[C@H](C)c1noc(CN(C)c2ccc(OC)cc2)n1 ZINC000844353116 632178066 /nfs/dbraw/zinc/17/80/66/632178066.db2.gz HCOBQTMHYIZERJ-LLVKDONJSA-N 0 0 291.351 2.812 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C3CCC3)n2C)cc1 ZINC000844353165 632178107 /nfs/dbraw/zinc/17/81/07/632178107.db2.gz PSOADXOHXSBXNI-UHFFFAOYSA-N 0 0 286.379 2.728 20 10 CFCDRN COc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1 ZINC000844353361 632178117 /nfs/dbraw/zinc/17/81/17/632178117.db2.gz UDILKRWQFRKSFP-UHFFFAOYSA-N 0 0 282.347 2.613 20 10 CFCDRN Cc1cc(CN(C)CC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815032693 632189309 /nfs/dbraw/zinc/18/93/09/632189309.db2.gz LOGFMAQVELYCLL-UHFFFAOYSA-N 0 0 292.423 2.835 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(F)c[nH]2)cc1 ZINC000815052656 632191982 /nfs/dbraw/zinc/19/19/82/632191982.db2.gz WRCYFKOKZBSYBY-UHFFFAOYSA-N 0 0 289.354 2.930 20 10 CFCDRN COc1ccc(N(C)CCN(C)Cc2nccs2)cc1 ZINC000844402042 632196419 /nfs/dbraw/zinc/19/64/19/632196419.db2.gz SIRBJPKHNPEVDX-UHFFFAOYSA-N 0 0 291.420 2.720 20 10 CFCDRN CC[C@H](C)[C@H](NCc1ccc(N(C)C)c(C)c1)C(=O)OC ZINC000815089037 632199648 /nfs/dbraw/zinc/19/96/48/632199648.db2.gz NLUFWJNPYLVESL-LRDDRELGSA-N 0 0 292.423 2.738 20 10 CFCDRN CC[C@H](C)N(CC(=O)OC)Cc1ccc(N(C)CC)cc1 ZINC000815107085 632203263 /nfs/dbraw/zinc/20/32/63/632203263.db2.gz JXHGNUAUNKKNEB-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccnn2C(C)(C)C)c(O)c1O ZINC000856281221 635773436 /nfs/dbraw/zinc/77/34/36/635773436.db2.gz VMJBLXPOIFWXBM-UHFFFAOYSA-N 0 0 289.335 2.610 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815597910 632295397 /nfs/dbraw/zinc/29/53/97/632295397.db2.gz IQUGGINQRWCCFN-JTQLQIEISA-N 0 0 288.313 2.767 20 10 CFCDRN C[C@H]([NH2+]CCN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625644 632300745 /nfs/dbraw/zinc/30/07/45/632300745.db2.gz JBLNBLYZUGRZFL-VIFPVBQESA-N 0 0 276.302 2.623 20 10 CFCDRN CO[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000815797085 632321825 /nfs/dbraw/zinc/32/18/25/632321825.db2.gz ZXGLDCYAQGGOJZ-TZMCWYRMSA-N 0 0 277.364 2.556 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C2CCCC2)cc1 ZINC000844851837 632323098 /nfs/dbraw/zinc/32/30/98/632323098.db2.gz IMDNNSMRUKYLNX-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C2CC=CC2)cc1 ZINC000844855120 632323763 /nfs/dbraw/zinc/32/37/63/632323763.db2.gz PUFVLUXMDBGXAK-UHFFFAOYSA-N 0 0 288.391 2.556 20 10 CFCDRN CC(C)(C)C(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000815833946 632325191 /nfs/dbraw/zinc/32/51/91/632325191.db2.gz LXWZJWKQUIPJKH-UHFFFAOYSA-N 0 0 279.380 2.829 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC000815835063 632325400 /nfs/dbraw/zinc/32/54/00/632325400.db2.gz JCYJGTJJHLLGIA-RKDXNWHRSA-N 0 0 287.306 2.869 20 10 CFCDRN CSC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845005732 632355248 /nfs/dbraw/zinc/35/52/48/632355248.db2.gz ONNNUHJTAKOSCX-MRVPVSSYSA-N 0 0 288.800 2.596 20 10 CFCDRN CSc1ccnc(NCc2ccc(N(C)C)cc2)n1 ZINC000845459133 632438714 /nfs/dbraw/zinc/43/87/14/632438714.db2.gz MVYGKTVVFRGXCY-UHFFFAOYSA-N 0 0 274.393 2.877 20 10 CFCDRN CCOc1nc(N(C)Cc2ccccc2O)ncc1Cl ZINC000845511931 632454509 /nfs/dbraw/zinc/45/45/09/632454509.db2.gz YAWAMTVNUZZGFL-UHFFFAOYSA-N 0 0 293.754 2.871 20 10 CFCDRN CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816529459 632479694 /nfs/dbraw/zinc/47/96/94/632479694.db2.gz TXTJWRPFHMQYDV-UHFFFAOYSA-N 0 0 274.767 2.615 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544163 632480081 /nfs/dbraw/zinc/48/00/81/632480081.db2.gz ZOEYUTIDJIIVMT-JTQLQIEISA-N 0 0 275.751 2.681 20 10 CFCDRN CCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549924 632481892 /nfs/dbraw/zinc/48/18/92/632481892.db2.gz COKGVHHMNWPSFV-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN COc1ccncc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816619078 632495435 /nfs/dbraw/zinc/49/54/35/632495435.db2.gz SBWCXHBSYNRZQW-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000816667673 632509973 /nfs/dbraw/zinc/50/99/73/632509973.db2.gz UBHOVZFEASJCRC-LLVKDONJSA-N 0 0 273.735 2.532 20 10 CFCDRN COCCc1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845706826 632529412 /nfs/dbraw/zinc/52/94/12/632529412.db2.gz CVVBSUKITNKETA-UHFFFAOYSA-N 0 0 299.783 2.698 20 10 CFCDRN COc1ccc(CNC(=O)NC2CC3(CCC3)C2)c(O)c1 ZINC000845726103 632534473 /nfs/dbraw/zinc/53/44/73/632534473.db2.gz JOAONYSLCNRVKI-UHFFFAOYSA-N 0 0 290.363 2.533 20 10 CFCDRN CCO/C=C\C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000816922178 632535300 /nfs/dbraw/zinc/53/53/00/632535300.db2.gz SZIVUYFGJMNNTD-KTKRTIGZSA-N 0 0 294.370 2.838 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1F ZINC000840520021 632544960 /nfs/dbraw/zinc/54/49/60/632544960.db2.gz GIUGGSQFBCAFGJ-WAIVJAFWSA-N 0 0 279.311 2.508 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)Cc2ccccc2O1 ZINC000817047943 632549413 /nfs/dbraw/zinc/54/94/13/632549413.db2.gz KGHYWPVXPNCVGH-LLVKDONJSA-N 0 0 299.326 2.521 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(CC(F)F)c2)cc1 ZINC000845999285 632611288 /nfs/dbraw/zinc/61/12/88/632611288.db2.gz WGHJAWUMDSUOJP-UHFFFAOYSA-N 0 0 281.306 2.793 20 10 CFCDRN COc1cccc([C@@H](C)N[C@H](C)c2nnc(C)s2)c1O ZINC000846166565 632650687 /nfs/dbraw/zinc/65/06/87/632650687.db2.gz ZKKMZYXWKSZUHT-RKDXNWHRSA-N 0 0 293.392 2.973 20 10 CFCDRN COc1cccc([C@H](C)N[C@@H](C)c2nnc(C)s2)c1O ZINC000846166564 632651075 /nfs/dbraw/zinc/65/10/75/632651075.db2.gz ZKKMZYXWKSZUHT-IUCAKERBSA-N 0 0 293.392 2.973 20 10 CFCDRN C[C@@]1(C(=O)NCCCSc2nccs2)CC1(F)F ZINC000817533196 632658313 /nfs/dbraw/zinc/65/83/13/632658313.db2.gz MLBNIRCJGYGJJX-JTQLQIEISA-N 0 0 292.376 2.787 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000846205002 632660165 /nfs/dbraw/zinc/66/01/65/632660165.db2.gz LYJNWLHVPVTMKI-BXUZGUMPSA-N 0 0 261.365 2.784 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CC2(F)F)c1 ZINC000817549061 632660436 /nfs/dbraw/zinc/66/04/36/632660436.db2.gz HOEQLGHFBZGJAF-AMIZOPFISA-N 0 0 285.290 2.623 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000846208421 632660969 /nfs/dbraw/zinc/66/09/69/632660969.db2.gz JQUGFOFSKLGNCJ-RKDXNWHRSA-N 0 0 295.276 2.782 20 10 CFCDRN CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000846207506 632660992 /nfs/dbraw/zinc/66/09/92/632660992.db2.gz CJXTWIANMXKJPN-QWRGUYRKSA-N 0 0 296.798 2.565 20 10 CFCDRN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)ccc1O ZINC000817587565 632672039 /nfs/dbraw/zinc/67/20/39/632672039.db2.gz YULASDNQGNBKLM-GFCCVEGCSA-N 0 0 296.798 2.742 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1CC12CC2 ZINC000817597325 632674059 /nfs/dbraw/zinc/67/40/59/632674059.db2.gz VNHOHCSKUGOMSZ-VIFPVBQESA-N 0 0 296.164 2.571 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000846266353 632678282 /nfs/dbraw/zinc/67/82/82/632678282.db2.gz ZKEBIBATALILLR-INIZCTEOSA-N 0 0 290.407 2.972 20 10 CFCDRN Cc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])ccc1N(C)C ZINC000846273904 632680455 /nfs/dbraw/zinc/68/04/55/632680455.db2.gz GCEJVLXFEWGQPO-INIZCTEOSA-N 0 0 292.423 2.992 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)COC(F)F)cc12 ZINC000817760447 632708603 /nfs/dbraw/zinc/70/86/03/632708603.db2.gz BROAVUPJWHKGQE-UHFFFAOYSA-N 0 0 283.274 2.940 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCc1cc(Cl)ccc1O ZINC000846472560 632715088 /nfs/dbraw/zinc/71/50/88/632715088.db2.gz AERMEISBPQMDTP-NSHDSACASA-N 0 0 259.708 2.656 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H](O)C1CCCCC1 ZINC000846473124 632715281 /nfs/dbraw/zinc/71/52/81/632715281.db2.gz IXEZRYBPOUGZOI-AWEZNQCLSA-N 0 0 297.782 2.603 20 10 CFCDRN COCCC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846473962 632715367 /nfs/dbraw/zinc/71/53/67/632715367.db2.gz PATOBIMHZQJYHM-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN CCCCC[C@@H](O)C(=O)NCc1cc(Cl)ccc1O ZINC000846475680 632716357 /nfs/dbraw/zinc/71/63/57/632716357.db2.gz FGVSKCQIPNQOFF-CYBMUJFWSA-N 0 0 285.771 2.603 20 10 CFCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846475291 632716397 /nfs/dbraw/zinc/71/63/97/632716397.db2.gz BQYKGFNTMQWJGM-ZWNOBZJWSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)(F)F ZINC000846477202 632717092 /nfs/dbraw/zinc/71/70/92/632717092.db2.gz QTBPAYQOMNXMNV-SSDOTTSWSA-N 0 0 277.698 2.953 20 10 CFCDRN CCN(CC)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905254 632728269 /nfs/dbraw/zinc/72/82/69/632728269.db2.gz LFMSDFZFYHGZFH-UHFFFAOYSA-N 0 0 289.404 2.798 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCNC1)c1cccc(Cl)c1[O-] ZINC000817940742 632743840 /nfs/dbraw/zinc/74/38/40/632743840.db2.gz KHOCFLAEJFIEOT-ZWNOBZJWSA-N 0 0 268.788 2.838 20 10 CFCDRN CCNCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000817951217 632752072 /nfs/dbraw/zinc/75/20/72/632752072.db2.gz BRIKYXTYGGUVLF-LBPRGKRZSA-N 0 0 256.777 2.696 20 10 CFCDRN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959513 632758185 /nfs/dbraw/zinc/75/81/85/632758185.db2.gz SFBFSCBDKNUJPY-KOLCDFICSA-N 0 0 272.339 2.694 20 10 CFCDRN C[C@H]1CCCc2ncc(C(=O)Nc3ccc(N)cc3)n21 ZINC000846662235 632767768 /nfs/dbraw/zinc/76/77/68/632767768.db2.gz OMEXAOIQXLQNSY-JTQLQIEISA-N 0 0 270.336 2.615 20 10 CFCDRN C[C@@H](CN)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970126 632768531 /nfs/dbraw/zinc/76/85/31/632768531.db2.gz MCJOHYATTXIPHM-BQBZGAKWSA-N 0 0 263.168 2.697 20 10 CFCDRN C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000817982250 632778845 /nfs/dbraw/zinc/77/88/45/632778845.db2.gz PZIPBSSQURXICC-YMTOWFKASA-N 0 0 284.350 2.839 20 10 CFCDRN Cc1cc(C(=O)NCC[C@H](C)F)c(C)n1-c1ccccn1 ZINC000818297598 632824165 /nfs/dbraw/zinc/82/41/65/632824165.db2.gz JNYFYEJIUFHKSN-NSHDSACASA-N 0 0 289.354 2.967 20 10 CFCDRN CCN1C[C@H](CN(C)c2ccc(OC(C)C)cc2)OC1=O ZINC000846874140 632828096 /nfs/dbraw/zinc/82/80/96/632828096.db2.gz HLSFPFKOXVDKEN-HNNXBMFYSA-N 0 0 292.379 2.751 20 10 CFCDRN CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1ccc(F)cc1[O-] ZINC000818346848 632834978 /nfs/dbraw/zinc/83/49/78/632834978.db2.gz VGRZMTFEGLHTNZ-ZDUSSCGKSA-N 0 0 292.358 2.692 20 10 CFCDRN CC(C)(CNC(=O)c1cccc(O)c1O)CC(F)(F)F ZINC000856520313 635831715 /nfs/dbraw/zinc/83/17/15/635831715.db2.gz XBDJUXOVPSTJLG-UHFFFAOYSA-N 0 0 291.269 2.806 20 10 CFCDRN COc1ccc(CNC(=O)Cc2cc(C)cc(C)c2)c(O)c1 ZINC000846951548 632856365 /nfs/dbraw/zinc/85/63/65/632856365.db2.gz XAXVPCFIUSZODV-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H]1C ZINC000840368381 632908934 /nfs/dbraw/zinc/90/89/34/632908934.db2.gz OGJMHNQYUMWJJI-DVOMOZLQSA-N 0 0 289.423 2.700 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1 ZINC000847074336 632911779 /nfs/dbraw/zinc/91/17/79/632911779.db2.gz AJTAWXCKKXMTJS-UKRRQHHQSA-N 0 0 294.351 2.738 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000847075094 632912358 /nfs/dbraw/zinc/91/23/58/632912358.db2.gz NZRXBWSKEHBLIH-UHFFFAOYSA-N 0 0 258.369 2.513 20 10 CFCDRN Cc1ccc(C(=O)NCCC(C)(C)C2CC2)c(O)c1O ZINC000819159893 632989987 /nfs/dbraw/zinc/98/99/87/632989987.db2.gz IOYVZSLUOFUAJJ-UHFFFAOYSA-N 0 0 277.364 2.962 20 10 CFCDRN COc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000847488061 632992084 /nfs/dbraw/zinc/99/20/84/632992084.db2.gz RVSKFPLLTZFPSX-UHFFFAOYSA-N 0 0 298.389 2.657 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000819398918 633147668 /nfs/dbraw/zinc/14/76/68/633147668.db2.gz QMJYGEXECQVBGZ-PWSUYJOCSA-N 0 0 263.337 2.540 20 10 CFCDRN CC[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819427639 633159726 /nfs/dbraw/zinc/15/97/26/633159726.db2.gz ULKFULYEAAIOFX-KGLIPLIRSA-N 0 0 279.380 2.817 20 10 CFCDRN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)C1=CC(=O)CS1 ZINC000848390697 633246969 /nfs/dbraw/zinc/24/69/69/633246969.db2.gz VBTSQXCOXRZJQB-WCQYABFASA-N 0 0 281.377 2.531 20 10 CFCDRN O=C(NC[C@H]1CCC2(CCCC2)O1)C1=CC(=O)CS1 ZINC000848392368 633246978 /nfs/dbraw/zinc/24/69/78/633246978.db2.gz OFYBRGDZCFQLPE-LLVKDONJSA-N 0 0 281.377 2.675 20 10 CFCDRN COC[C@H](CC(C)(C)C)NC(=O)C1=CC(=O)CS1 ZINC000848391314 633247313 /nfs/dbraw/zinc/24/73/13/633247313.db2.gz DINMCGIGGDZMFC-VIFPVBQESA-N 0 0 271.382 2.635 20 10 CFCDRN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)C1=CC(=O)CS1 ZINC000848390696 633247383 /nfs/dbraw/zinc/24/73/83/633247383.db2.gz VBTSQXCOXRZJQB-DGCLKSJQSA-N 0 0 281.377 2.531 20 10 CFCDRN O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)C1=CC(=O)CS1 ZINC000848390698 633247393 /nfs/dbraw/zinc/24/73/93/633247393.db2.gz VBTSQXCOXRZJQB-YPMHNXCESA-N 0 0 281.377 2.531 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cccc(CC)c1O ZINC000848901854 633389876 /nfs/dbraw/zinc/38/98/76/633389876.db2.gz FEEDBNQHYNWUIZ-OAHLLOKOSA-N 0 0 291.391 2.776 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C=C(C)C)C2)cc1 ZINC000819578496 633393820 /nfs/dbraw/zinc/39/38/20/633393820.db2.gz NLWRXDHQINKUMT-AWEZNQCLSA-N 0 0 288.391 2.604 20 10 CFCDRN COc1cc(Cl)cc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922444 633405164 /nfs/dbraw/zinc/40/51/64/633405164.db2.gz SICVVQDCVRPSTK-UHFFFAOYSA-N 0 0 289.709 2.895 20 10 CFCDRN CCOc1ccc(CN(C)[C@@H](C)c2nc(C)no2)c(O)c1 ZINC000848926126 633408304 /nfs/dbraw/zinc/40/83/04/633408304.db2.gz RFVIARVVRBUCCF-JTQLQIEISA-N 0 0 291.351 2.675 20 10 CFCDRN Cc1noc(CN(C)Cc2c(O)cc(C)cc2Cl)n1 ZINC000848927046 633409908 /nfs/dbraw/zinc/40/99/08/633409908.db2.gz APJOLAVLZOTOGN-UHFFFAOYSA-N 0 0 281.743 2.677 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc3c(c2)CCN(C)C3=O)c1 ZINC000849347551 633625106 /nfs/dbraw/zinc/62/51/06/633625106.db2.gz OJENTODGZOCDRF-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2cscn2)c1 ZINC000108941487 633744820 /nfs/dbraw/zinc/74/48/20/633744820.db2.gz RENFGGWSMJRNDN-VIFPVBQESA-N 0 0 264.350 2.708 20 10 CFCDRN CCn1nncc1CSc1ncc(Cl)s1 ZINC000850002124 633785944 /nfs/dbraw/zinc/78/59/44/633785944.db2.gz UCXAPIDDLJVPFO-UHFFFAOYSA-N 0 0 260.775 2.700 20 10 CFCDRN CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000850383226 633969079 /nfs/dbraw/zinc/96/90/79/633969079.db2.gz BSCSFEAEVCTUEQ-AWEZNQCLSA-N 0 0 264.325 2.969 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393209 633974633 /nfs/dbraw/zinc/97/46/33/633974633.db2.gz PYBRTQHNTSOLQM-IAZYJMLFSA-N 0 0 282.727 2.842 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850482657 634012154 /nfs/dbraw/zinc/01/21/54/634012154.db2.gz QNHNCJWUIWVATI-UWVGGRQHSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850482659 634012171 /nfs/dbraw/zinc/01/21/71/634012171.db2.gz QNHNCJWUIWVATI-VHSXEESVSA-N 0 0 280.324 2.519 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850498871 634018483 /nfs/dbraw/zinc/01/84/83/634018483.db2.gz FDXJZWFJWRAUQH-TVYUQYBPSA-N 0 0 290.342 2.870 20 10 CFCDRN C[C@@H]([NH2+]C/C=C\CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506780 634022738 /nfs/dbraw/zinc/02/27/38/634022738.db2.gz BSVDEECWWNTZMS-YAJNLLPGSA-N 0 0 276.163 2.898 20 10 CFCDRN C[C@H]([NH2+]C/C=C\CO)c1cccc(C(F)(F)F)c1[O-] ZINC000850509079 634023755 /nfs/dbraw/zinc/02/37/55/634023755.db2.gz PBJQXBAPFDWJCN-XADBCAIWSA-N 0 0 275.270 2.610 20 10 CFCDRN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850534194 634040115 /nfs/dbraw/zinc/04/01/15/634040115.db2.gz GPXTYUYXQLCQSV-SNVBAGLBSA-N 0 0 289.354 2.993 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCCC2CC2)c1 ZINC000858233073 636159889 /nfs/dbraw/zinc/15/98/89/636159889.db2.gz FHJIGDVKMUAXFX-UHFFFAOYSA-N 0 0 262.353 2.690 20 10 CFCDRN CSCC[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858232841 636160044 /nfs/dbraw/zinc/16/00/44/636160044.db2.gz GJIQADNARGXBFX-NSHDSACASA-N 0 0 282.409 2.641 20 10 CFCDRN C[C@H]1C[C@H](NCc2ncccn2)c2c1c(F)ccc2O ZINC000850553155 634051468 /nfs/dbraw/zinc/05/14/68/634051468.db2.gz UWFBNADZWLCWHF-ONGXEEELSA-N 0 0 273.311 2.659 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)NCc2ncccn2)c1O ZINC000850552523 634051721 /nfs/dbraw/zinc/05/17/21/634051721.db2.gz OMMULZWDHBQVIF-JTQLQIEISA-N 0 0 277.755 2.995 20 10 CFCDRN CCCN1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850554800 634052074 /nfs/dbraw/zinc/05/20/74/634052074.db2.gz LANODNAWNKQFRT-PWSUYJOCSA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571400 634057201 /nfs/dbraw/zinc/05/72/01/634057201.db2.gz QFMLFMAEPXJLFV-WDEREUQCSA-N 0 0 294.351 2.766 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(N)cc1 ZINC000850711336 634065374 /nfs/dbraw/zinc/06/53/74/634065374.db2.gz MIGXSCORYMBTAT-CQSZACIVSA-N 0 0 252.333 2.803 20 10 CFCDRN Fc1cnc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000853160284 634922296 /nfs/dbraw/zinc/92/22/96/634922296.db2.gz UIKJITUBQJPCQM-UHFFFAOYSA-N 0 0 272.327 2.828 20 10 CFCDRN CN(Cc1nc(-c2ccoc2)no1)Cc1ccccc1O ZINC000111235368 634963018 /nfs/dbraw/zinc/96/30/18/634963018.db2.gz ZHJGYDUSHNSMFF-UHFFFAOYSA-N 0 0 285.303 2.667 20 10 CFCDRN Cc1ccc(NCCCSc2nccs2)nn1 ZINC000853327016 634970138 /nfs/dbraw/zinc/97/01/38/634970138.db2.gz XKQYIIZAGBAJPH-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN C[C@@H](Nc1cc(F)ncn1)c1ccc(N(C)C)cc1 ZINC000853484320 635013396 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RGEMVZCASNBPIE-UHFFFAOYSA-N 0 0 297.358 2.549 20 10 CFCDRN CC[C@@H](CC(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206115 641245398 /nfs/dbraw/zinc/24/53/98/641245398.db2.gz RTZDIXOXWUMEJW-VIFPVBQESA-N 0 0 269.291 2.916 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871520283 641340621 /nfs/dbraw/zinc/34/06/21/641340621.db2.gz ASEXVONWDZDUEO-IRQMKAKQSA-N 0 0 285.343 2.536 20 10 CFCDRN O=C(NCC[C@H]1CCCS1)NCc1c(O)cccc1F ZINC000923633223 641464339 /nfs/dbraw/zinc/46/43/39/641464339.db2.gz FQDWDOPCXDWFTR-SNVBAGLBSA-N 0 0 298.383 2.616 20 10 CFCDRN COc1nccc(CNc2ccccc2NC(C)C)n1 ZINC000871845987 641479152 /nfs/dbraw/zinc/47/91/52/641479152.db2.gz OEQAVRLSTODXMC-UHFFFAOYSA-N 0 0 272.352 2.918 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000871879857 641495938 /nfs/dbraw/zinc/49/59/38/641495938.db2.gz LIVXTPUKYZYPEV-BYCMXARLSA-N 0 0 291.391 2.983 20 10 CFCDRN Cc1nonc1CN[C@H](C)c1ccc(Cl)cc1O ZINC000872135508 641663464 /nfs/dbraw/zinc/66/34/64/641663464.db2.gz HYFBDHJBEHDDGK-SSDOTTSWSA-N 0 0 267.716 2.588 20 10 CFCDRN C[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)[C@H](C)O1 ZINC000872170625 641689643 /nfs/dbraw/zinc/68/96/43/641689643.db2.gz JSEUDLACIMHLDJ-NRUUGDAUSA-N 0 0 273.336 2.524 20 10 CFCDRN CCOC1CC2(C[C@@H]2c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000872171660 641690453 /nfs/dbraw/zinc/69/04/53/641690453.db2.gz VWANTJQMJOBLFK-XOYHFGRZSA-N 0 0 299.374 2.915 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccccn2)cc1 ZINC000193745906 650690818 /nfs/dbraw/zinc/69/08/18/650690818.db2.gz JDELGZGRDPUYLE-UHFFFAOYSA-N 0 0 283.375 2.858 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCSC)cc1 ZINC000193744741 650690824 /nfs/dbraw/zinc/69/08/24/650690824.db2.gz YAUDBBIYTOTZJT-UHFFFAOYSA-N 0 0 280.437 2.902 20 10 CFCDRN CCc1cccc(OCC(=O)Nc2ccc(N)cc2)c1 ZINC000019430200 641752519 /nfs/dbraw/zinc/75/25/19/641752519.db2.gz JCYAAKHZJGOURG-UHFFFAOYSA-N 0 0 270.332 2.849 20 10 CFCDRN CONC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000124089239 641814203 /nfs/dbraw/zinc/81/42/03/641814203.db2.gz LMIDYUCVPTVGKR-UHFFFAOYSA-N 0 0 258.321 2.694 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncnc(F)c1C ZINC000872456951 641816691 /nfs/dbraw/zinc/81/66/91/641816691.db2.gz KULUMKUCBIGIDV-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN COc1cc(C)cc(CN2CC(OC(C)(C)C)C2)c1O ZINC000872752647 641921782 /nfs/dbraw/zinc/92/17/82/641921782.db2.gz OOQOJQJFRMTUFC-UHFFFAOYSA-N 0 0 279.380 2.709 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC12CCC2 ZINC000873259709 642104410 /nfs/dbraw/zinc/10/44/10/642104410.db2.gz KCJLDLCZHHYWMQ-HNNXBMFYSA-N 0 0 287.407 2.803 20 10 CFCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)NCc1ccc(N)cc1 ZINC000873297992 642128806 /nfs/dbraw/zinc/12/88/06/642128806.db2.gz CWGZYCSEASPZDE-KRWDZBQOSA-N 0 0 296.370 2.624 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ncoc2C)cc1 ZINC000194811967 650729695 /nfs/dbraw/zinc/72/96/95/650729695.db2.gz ZGUBDNTZTQCLRO-UHFFFAOYSA-N 0 0 287.363 2.759 20 10 CFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873730707 642290965 /nfs/dbraw/zinc/29/09/65/642290965.db2.gz AVVXRIYMTIIDCK-GHMZBOCLSA-N 0 0 288.351 2.967 20 10 CFCDRN COc1ncccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124697728 642302072 /nfs/dbraw/zinc/30/20/72/642302072.db2.gz XYSZTFIOIGPIEL-UHFFFAOYSA-N 0 0 278.739 2.739 20 10 CFCDRN CCC(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873925932 642308034 /nfs/dbraw/zinc/30/80/34/642308034.db2.gz BZVJDPMBPMYCRK-UHFFFAOYSA-N 0 0 262.313 2.767 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCO1 ZINC000124857819 642346514 /nfs/dbraw/zinc/34/65/14/642346514.db2.gz RQNDYTSCWAUWAD-CYBMUJFWSA-N 0 0 255.745 2.704 20 10 CFCDRN C[C@H]1CCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875244262 642599079 /nfs/dbraw/zinc/59/90/79/642599079.db2.gz UPDAWAMOYHKLDI-GXFFZTMASA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@@H]1CCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875244263 642599514 /nfs/dbraw/zinc/59/95/14/642599514.db2.gz UPDAWAMOYHKLDI-MFKMUULPSA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@@H](NC(=O)NCC(C)(C)C[C@H](C)O)c1ccccc1O ZINC000875312710 642606075 /nfs/dbraw/zinc/60/60/75/642606075.db2.gz XVTKETLBODYLNV-NWDGAFQWSA-N 0 0 294.395 2.550 20 10 CFCDRN CC(C)CSCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875425898 642621360 /nfs/dbraw/zinc/62/13/60/642621360.db2.gz AARRAGMJMQEVJY-UHFFFAOYSA-N 0 0 294.420 2.807 20 10 CFCDRN Cc1cscc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875539217 642638466 /nfs/dbraw/zinc/63/84/66/642638466.db2.gz JHXQLIACZNAZGG-UHFFFAOYSA-N 0 0 288.372 2.988 20 10 CFCDRN C[C@H]1CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875557419 642643185 /nfs/dbraw/zinc/64/31/85/642643185.db2.gz SLZHOSKVLAHJIP-RYUDHWBXSA-N 0 0 274.364 2.854 20 10 CFCDRN O=C(NC[C@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875641187 642657812 /nfs/dbraw/zinc/65/78/12/642657812.db2.gz FKQHUSBPXZQQEG-LLVKDONJSA-N 0 0 296.317 2.853 20 10 CFCDRN CC(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000875746007 642678470 /nfs/dbraw/zinc/67/84/70/642678470.db2.gz BDXXLIKXBJCEIZ-HNNXBMFYSA-N 0 0 274.364 2.852 20 10 CFCDRN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875768946 642685006 /nfs/dbraw/zinc/68/50/06/642685006.db2.gz LPYHVBGZJHSRFV-MBNYWOFBSA-N 0 0 286.375 2.854 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCC2(CC2)C1 ZINC000888698445 642772423 /nfs/dbraw/zinc/77/24/23/642772423.db2.gz MTVATLOTTVKEPJ-AGLBCWCQSA-N 0 0 287.359 2.950 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cnn(C)c1)c1ccncc1 ZINC000876288577 642811836 /nfs/dbraw/zinc/81/18/36/642811836.db2.gz SGCXLEZJUSXDIO-WAYWQWQTSA-N 0 0 284.363 2.662 20 10 CFCDRN COc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1O ZINC000086755090 650797547 /nfs/dbraw/zinc/79/75/47/650797547.db2.gz CYSWTJHTVRZTRW-ZDUSSCGKSA-N 0 0 293.363 2.620 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCCCO1 ZINC000087299402 650801508 /nfs/dbraw/zinc/80/15/08/650801508.db2.gz XJBBATSIAVAVLN-MRXNPFEDSA-N 0 0 290.407 2.636 20 10 CFCDRN C[C@@H]1CSCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876735280 642987174 /nfs/dbraw/zinc/98/71/74/642987174.db2.gz CKTPFUAUGHESPK-MRVPVSSYSA-N 0 0 259.321 2.608 20 10 CFCDRN C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1[O-] ZINC000876766273 643001389 /nfs/dbraw/zinc/00/13/89/643001389.db2.gz GVMCSPUNHIQEAF-CYBMUJFWSA-N 0 0 298.377 2.977 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc(F)c1F ZINC000876783178 643007767 /nfs/dbraw/zinc/00/77/67/643007767.db2.gz WDQZGRSQRCCTNO-PWSUYJOCSA-N 0 0 283.318 2.529 20 10 CFCDRN CC(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000126169690 643021613 /nfs/dbraw/zinc/02/16/13/643021613.db2.gz ATFWDWNIASOHHF-UHFFFAOYSA-N 0 0 271.272 2.553 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCc2ccccc21 ZINC000126218127 643053434 /nfs/dbraw/zinc/05/34/34/643053434.db2.gz UDFXSCGEVCINFW-UHFFFAOYSA-N 0 0 269.300 2.691 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC1 ZINC000876926613 643067034 /nfs/dbraw/zinc/06/70/34/643067034.db2.gz ALLZCEPUJAACRT-LBPRGKRZSA-N 0 0 284.350 2.634 20 10 CFCDRN CN(Cc1ccccc1F)C(=O)c1cccc(O)c1O ZINC000126280424 643089751 /nfs/dbraw/zinc/08/97/51/643089751.db2.gz YZDJAOVMOMYZFS-UHFFFAOYSA-N 0 0 275.279 2.509 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877019227 643105999 /nfs/dbraw/zinc/10/59/99/643105999.db2.gz WKQWSSDXSHADAK-MRVPVSSYSA-N 0 0 281.306 2.563 20 10 CFCDRN CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877050973 643121745 /nfs/dbraw/zinc/12/17/45/643121745.db2.gz PXMNRNAUGLHCJY-OAHLLOKOSA-N 0 0 287.350 2.947 20 10 CFCDRN C[C@H](Cc1ccco1)C(=O)N(C)c1ccc(N)cc1 ZINC000877074331 643136455 /nfs/dbraw/zinc/13/64/55/643136455.db2.gz HEQNKFMGAAMNGR-LLVKDONJSA-N 0 0 258.321 2.703 20 10 CFCDRN CN(C(=O)[C@@H]1CCN(C)c2ccccc21)c1ccc(N)cc1 ZINC000877075420 643137053 /nfs/dbraw/zinc/13/70/53/643137053.db2.gz BLSHHVQEWNPWFH-MRXNPFEDSA-N 0 0 295.386 2.855 20 10 CFCDRN C[C@@H]1CCCc2ncc(C(=O)N(C)c3ccc(N)cc3)n21 ZINC000877074807 643137149 /nfs/dbraw/zinc/13/71/49/643137149.db2.gz SKERAFHSYUWZEA-LLVKDONJSA-N 0 0 284.363 2.639 20 10 CFCDRN CN(C(=O)CCCC1CCOCC1)c1ccc(N)cc1 ZINC000877076489 643138156 /nfs/dbraw/zinc/13/81/56/643138156.db2.gz QRGWYGFUWGDBAW-UHFFFAOYSA-N 0 0 276.380 2.829 20 10 CFCDRN CC(C)C[C@H](C(=O)N(C)c1ccc(N)cc1)n1ccnc1 ZINC000877076112 643138221 /nfs/dbraw/zinc/13/82/21/643138221.db2.gz JUSVTFWXVDFVQA-OAHLLOKOSA-N 0 0 286.379 2.716 20 10 CFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C(C)C ZINC000877076493 643138335 /nfs/dbraw/zinc/13/83/35/643138335.db2.gz QZSSEKUHMCZBSG-UHFFFAOYSA-N 0 0 272.352 2.631 20 10 CFCDRN CN(C(=O)c1cc2c(s1)CCOC2)c1ccc(N)cc1 ZINC000877078339 643139243 /nfs/dbraw/zinc/13/92/43/643139243.db2.gz MPIRNGMLVPPOAY-UHFFFAOYSA-N 0 0 288.372 2.680 20 10 CFCDRN Cc1ncc(C(=O)N(C)c2ccc(N)cc2)c(C(C)C)n1 ZINC000877078430 643139634 /nfs/dbraw/zinc/13/96/34/643139634.db2.gz PNQVQQPPRKTIPO-UHFFFAOYSA-N 0 0 284.363 2.767 20 10 CFCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccsc1 ZINC000126390329 643190652 /nfs/dbraw/zinc/19/06/52/643190652.db2.gz ILHJGHHMJKKBJE-QMMMGPOBSA-N 0 0 263.318 2.650 20 10 CFCDRN CC[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126450105 643227301 /nfs/dbraw/zinc/22/73/01/643227301.db2.gz IRVSCBMWORHWJV-GHMZBOCLSA-N 0 0 263.337 2.796 20 10 CFCDRN CC1(C)CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000126478911 643239953 /nfs/dbraw/zinc/23/99/53/643239953.db2.gz MKRUVMOCIKHFPI-LBPRGKRZSA-N 0 0 263.337 2.796 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCOCC3(CCC3)C2)ccc(F)c1F ZINC000877349607 643246702 /nfs/dbraw/zinc/24/67/02/643246702.db2.gz MVVWDIJMSWGJLD-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)ccc(F)c1F ZINC000877374515 643250258 /nfs/dbraw/zinc/25/02/58/643250258.db2.gz BNRVXYCAXLGITB-WCQYABFASA-N 0 0 283.318 2.718 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2conc2C)c1 ZINC000888746406 643267890 /nfs/dbraw/zinc/26/78/90/643267890.db2.gz PVJNVPPSBCXUFN-QMMMGPOBSA-N 0 0 291.307 2.580 20 10 CFCDRN Nc1ccc(CC(=O)NC2CC(Nc3ccccc3)C2)cc1 ZINC000877433274 643268572 /nfs/dbraw/zinc/26/85/72/643268572.db2.gz NTJJPTJJXCNFRL-UHFFFAOYSA-N 0 0 295.386 2.571 20 10 CFCDRN Cc1cccc(O)c1CN[C@@H](C)C(=O)OC1CCCC1 ZINC000877469878 643289050 /nfs/dbraw/zinc/28/90/50/643289050.db2.gz VFMXQZYCBGYSKM-LBPRGKRZSA-N 0 0 277.364 2.665 20 10 CFCDRN [O-]c1c(C[NH+]2CC(C3CCOCC3)C2)ccc(F)c1F ZINC000877500290 643311838 /nfs/dbraw/zinc/31/18/38/643311838.db2.gz RIWJUWODRMWYLP-UHFFFAOYSA-N 0 0 283.318 2.529 20 10 CFCDRN OC1CCN(c2ccc(CNC3(C(F)F)CC3)cc2)CC1 ZINC000877501112 643312427 /nfs/dbraw/zinc/31/24/27/643312427.db2.gz IEPPHNJOGXTWDQ-UHFFFAOYSA-N 0 0 296.361 2.535 20 10 CFCDRN Cc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c(O)c1 ZINC000877515970 643321256 /nfs/dbraw/zinc/32/12/56/643321256.db2.gz AHQBSSSTCMANHL-MFKMUULPSA-N 0 0 289.297 2.852 20 10 CFCDRN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877521238 643325022 /nfs/dbraw/zinc/32/50/22/643325022.db2.gz TWAKJAJUSJICMX-OAHLLOKOSA-N 0 0 290.407 2.581 20 10 CFCDRN CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877529994 643332572 /nfs/dbraw/zinc/33/25/72/643332572.db2.gz BFHHLYRFWVFGGB-NSHDSACASA-N 0 0 273.323 2.509 20 10 CFCDRN Cc1cccc(O)c1CNc1cn(C)nc1C1CC1 ZINC000877541592 643344227 /nfs/dbraw/zinc/34/42/27/643344227.db2.gz JRBBUTQDSMSDDM-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877551488 643352379 /nfs/dbraw/zinc/35/23/79/643352379.db2.gz BSSVPVJYQMNBMP-OAHLLOKOSA-N 0 0 285.334 2.701 20 10 CFCDRN CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877577252 643374610 /nfs/dbraw/zinc/37/46/10/643374610.db2.gz VBHRRIUXRLBLNF-LBPRGKRZSA-N 0 0 284.350 2.585 20 10 CFCDRN Cc1ccc(CNc2ccc(COCCO)cc2)c(O)c1 ZINC000877598514 643389256 /nfs/dbraw/zinc/38/92/56/643389256.db2.gz GYPMXAKMPMFQAU-UHFFFAOYSA-N 0 0 287.359 2.822 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)ccc(F)c1F ZINC000877629796 643413766 /nfs/dbraw/zinc/41/37/66/643413766.db2.gz VZPXVVXDERXVPK-UONOGXRCSA-N 0 0 291.297 2.938 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877680849 643450180 /nfs/dbraw/zinc/45/01/80/643450180.db2.gz AVSIWESROZACKB-OTNUGENISA-N 0 0 297.757 2.698 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000877739085 643504454 /nfs/dbraw/zinc/50/44/54/643504454.db2.gz FGDORQGFQASNKC-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN CC1(C)C[C@@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877751328 643526903 /nfs/dbraw/zinc/52/69/03/643526903.db2.gz BNNNBISUTZJBQI-LLVKDONJSA-N 0 0 287.762 2.778 20 10 CFCDRN CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877836351 643603670 /nfs/dbraw/zinc/60/36/70/643603670.db2.gz VEKZDTFNWZSKAT-LLVKDONJSA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1cc(N(C)C)ccc1[C@H]1Nc2ccccc2C(=O)N1 ZINC000877844273 643606375 /nfs/dbraw/zinc/60/63/75/643606375.db2.gz SVHCDKMWMVNNPW-INIZCTEOSA-N 0 0 281.359 2.915 20 10 CFCDRN CC1(C)N[C@H](c2cccc(O)c2O)N(c2ccccc2)C1=O ZINC000877856619 643608580 /nfs/dbraw/zinc/60/85/80/643608580.db2.gz FRYMGXTXTCPELZ-HNNXBMFYSA-N 0 0 298.342 2.511 20 10 CFCDRN COc1cccc([C@@H]2Nc3cc(C)ccc3C(=O)N2)c1O ZINC000877865033 643613581 /nfs/dbraw/zinc/61/35/81/643613581.db2.gz WGTHLELTMCBIFP-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN CCCc1nccn1Cc1ccc(N2CCOCC2)cc1 ZINC000877879350 643618006 /nfs/dbraw/zinc/61/80/06/643618006.db2.gz YTZPFJHCGTWAGM-UHFFFAOYSA-N 0 0 285.391 2.721 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1scnc1C1CC1 ZINC000089757221 650853766 /nfs/dbraw/zinc/85/37/66/650853766.db2.gz NVQHIMMMLOBKEU-UHFFFAOYSA-N 0 0 288.372 2.998 20 10 CFCDRN COc1ccc(N(C)Cc2nc(CC3CC3)no2)cc1F ZINC000878186552 643783924 /nfs/dbraw/zinc/78/39/24/643783924.db2.gz KYMIUWWJOBSUEU-UHFFFAOYSA-N 0 0 291.326 2.806 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000878277292 643818383 /nfs/dbraw/zinc/81/83/83/643818383.db2.gz QUECGXVGCBUINJ-CQSZACIVSA-N 0 0 291.391 2.946 20 10 CFCDRN CCc1cc(NC(=O)N[C@@H](C)c2ccccc2O)n(C)n1 ZINC000878738750 644012187 /nfs/dbraw/zinc/01/21/87/644012187.db2.gz WPXKVVAOUUAMRM-JTQLQIEISA-N 0 0 288.351 2.571 20 10 CFCDRN Cc1cn2nc(NCc3ccc(N(C)C)cc3)sc2n1 ZINC000022977188 644083700 /nfs/dbraw/zinc/08/37/00/644083700.db2.gz IQTQCBQGVBXBGY-UHFFFAOYSA-N 0 0 287.392 2.777 20 10 CFCDRN CCc1ncc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000878992650 644101920 /nfs/dbraw/zinc/10/19/20/644101920.db2.gz BGRVKBOZSKZXCK-SNVBAGLBSA-N 0 0 286.335 2.627 20 10 CFCDRN CCOc1ccc(N(CC[S@@](C)=O)CC2CC2)cc1 ZINC000879116886 644149010 /nfs/dbraw/zinc/14/90/10/644149010.db2.gz CPRNVHRGFZPQMO-LJQANCHMSA-N 0 0 281.421 2.680 20 10 CFCDRN CCOc1ccc(N(Cc2nncn2C)CC2CC2)cc1 ZINC000879117023 644149031 /nfs/dbraw/zinc/14/90/31/644149031.db2.gz HGIUIAOGXWIPQI-UHFFFAOYSA-N 0 0 286.379 2.630 20 10 CFCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000879208191 644176597 /nfs/dbraw/zinc/17/65/97/644176597.db2.gz UYDLPBFWUDUOHF-DYVFJYSZSA-N 0 0 291.391 2.973 20 10 CFCDRN Cc1ncccc1NCc1ccc(N2CCOCC2)cc1 ZINC000091495934 650901302 /nfs/dbraw/zinc/90/13/02/650901302.db2.gz HESHCLKTDCSKCP-UHFFFAOYSA-N 0 0 283.375 2.839 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NC2CC=CC2)cc1 ZINC000127817364 644304679 /nfs/dbraw/zinc/30/46/79/644304679.db2.gz CRTNUHZUXJGLPL-UHFFFAOYSA-N 0 0 273.380 2.613 20 10 CFCDRN CC(C)c1nnc(CN[C@H](C)c2ccccc2O)o1 ZINC000879648775 644362991 /nfs/dbraw/zinc/36/29/91/644362991.db2.gz DCKVZCHFLAGFGL-SNVBAGLBSA-N 0 0 261.325 2.749 20 10 CFCDRN COC(=O)c1coc([C@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879650129 644364722 /nfs/dbraw/zinc/36/47/22/644364722.db2.gz KIEOODPZFPGLSN-UWVGGRQHSA-N 0 0 290.319 2.579 20 10 CFCDRN COC(=O)c1coc([C@@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879650130 644364739 /nfs/dbraw/zinc/36/47/39/644364739.db2.gz KIEOODPZFPGLSN-VHSXEESVSA-N 0 0 290.319 2.579 20 10 CFCDRN CCCC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)OC ZINC000879652347 644365978 /nfs/dbraw/zinc/36/59/78/644365978.db2.gz YRBIYCKTSMOBMB-WCQYABFASA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@H]1OCCN(Cc2cc(Cl)ccc2O)[C@H]1C ZINC000093418112 650939537 /nfs/dbraw/zinc/93/95/37/650939537.db2.gz NWHOMKMZDSJMOJ-VHSXEESVSA-N 0 0 255.745 2.655 20 10 CFCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)C(F)F ZINC000881010873 644893096 /nfs/dbraw/zinc/89/30/96/644893096.db2.gz OOPCTECGLFNDFR-SNVBAGLBSA-N 0 0 272.295 2.577 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000128819596 644912814 /nfs/dbraw/zinc/91/28/14/644912814.db2.gz ABJPIRGBDKPOAD-SECBINFHSA-N 0 0 270.423 2.788 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(F)F)cc1 ZINC000881283083 644942992 /nfs/dbraw/zinc/94/29/92/644942992.db2.gz WNDYDTRFFGDGSA-NSHDSACASA-N 0 0 299.365 2.986 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(-c3nccs3)nn2)cc1 ZINC000881316153 644950585 /nfs/dbraw/zinc/95/05/85/644950585.db2.gz VBQFSJOJTKGVKW-UHFFFAOYSA-N 0 0 299.403 2.906 20 10 CFCDRN O=C(NCC1(CC2CC2)CC1)c1c(F)ccc(O)c1O ZINC000881520880 645015840 /nfs/dbraw/zinc/01/58/40/645015840.db2.gz VIEDIPFCNSLHQF-UHFFFAOYSA-N 0 0 279.311 2.547 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(n2)C(=O)CC3)cc1 ZINC000881774611 645124785 /nfs/dbraw/zinc/12/47/85/645124785.db2.gz XXSKMPTVNDUXGG-UHFFFAOYSA-N 0 0 281.359 2.889 20 10 CFCDRN CN1CCc2cc([C@H]3Nc4ccccc4C(=O)N3)ccc21 ZINC000130142178 645458447 /nfs/dbraw/zinc/45/84/47/645458447.db2.gz NODLQWWMIKASBY-INIZCTEOSA-N 0 0 279.343 2.533 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCC2CC2)c1 ZINC000130615927 645535241 /nfs/dbraw/zinc/53/52/41/645535241.db2.gz XLSTZTVBZMUOHG-UHFFFAOYSA-N 0 0 250.298 2.580 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]2CCO[C@@H]21 ZINC000883016723 645564293 /nfs/dbraw/zinc/56/42/93/645564293.db2.gz JOEUPVCETZGGDV-GDLCADMTSA-N 0 0 283.318 2.574 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]2CCCO[C@H]21 ZINC000883018404 645565335 /nfs/dbraw/zinc/56/53/35/645565335.db2.gz BIQFDXDARYXDCO-NILFDRSVSA-N 0 0 297.345 2.964 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883041406 645577576 /nfs/dbraw/zinc/57/75/76/645577576.db2.gz LMOOVXOACIAYTE-NXEZZACHSA-N 0 0 271.307 2.575 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CF)C2)cc1 ZINC000883077712 645594897 /nfs/dbraw/zinc/59/48/97/645594897.db2.gz SYUBXEHZSMULNJ-AWEZNQCLSA-N 0 0 293.386 2.644 20 10 CFCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082780 645597138 /nfs/dbraw/zinc/59/71/38/645597138.db2.gz QFVZXUVWAWCJJQ-ZANVPECISA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000883121458 645612485 /nfs/dbraw/zinc/61/24/85/645612485.db2.gz IHHRQHBTNCJMMZ-LLVKDONJSA-N 0 0 291.297 2.936 20 10 CFCDRN CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883135991 645621139 /nfs/dbraw/zinc/62/11/39/645621139.db2.gz RMDQHWQCHNFUCM-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000883170027 645637627 /nfs/dbraw/zinc/63/76/27/645637627.db2.gz JNYLMSWSBXHTPE-HUUCEWRRSA-N 0 0 291.297 2.938 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000883200306 645659108 /nfs/dbraw/zinc/65/91/08/645659108.db2.gz FZBLCRXFSIWNSC-AWEZNQCLSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883203994 645660928 /nfs/dbraw/zinc/66/09/28/645660928.db2.gz QCFQXGQIANZWJX-SECBINFHSA-N 0 0 279.290 2.620 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(F)cc1[O-] ZINC000883272499 645714563 /nfs/dbraw/zinc/71/45/63/645714563.db2.gz OAOUBHZDGDIUNL-MPKXVKKWSA-N 0 0 267.344 2.997 20 10 CFCDRN CCOc1ccc(CNC2(c3ncccn3)CCC2)c(O)c1 ZINC000883307545 645730556 /nfs/dbraw/zinc/73/05/56/645730556.db2.gz WWQIEOPQIATIRE-UHFFFAOYSA-N 0 0 299.374 2.750 20 10 CFCDRN COc1cccc([C@H](C)NC2(c3ncccn3)CCC2)c1O ZINC000883311647 645732964 /nfs/dbraw/zinc/73/29/64/645732964.db2.gz HUECHQYMEQEVAO-LBPRGKRZSA-N 0 0 299.374 2.921 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000132181137 645889415 /nfs/dbraw/zinc/88/94/15/645889415.db2.gz NPORTKZGDXPOPY-NXEZZACHSA-N 0 0 255.745 2.655 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C=CCC2)c1 ZINC000883779879 645968384 /nfs/dbraw/zinc/96/83/84/645968384.db2.gz GPCYWECRZQWJRC-NEPJUHHUSA-N 0 0 290.363 2.727 20 10 CFCDRN C=C/C=C/CCNC(=O)N(C)Cc1ccccc1O ZINC000883913518 646036543 /nfs/dbraw/zinc/03/65/43/646036543.db2.gz XHXISHHARSRDGP-SNAWJCMRSA-N 0 0 260.337 2.666 20 10 CFCDRN Nc1ccc(NC(=O)c2cnc(CC3CC3)s2)cc1 ZINC000884009319 646094355 /nfs/dbraw/zinc/09/43/55/646094355.db2.gz SNTBKBIVFCXQBJ-UHFFFAOYSA-N 0 0 273.361 2.930 20 10 CFCDRN CC1(C)CC[C@@H](CC(=O)Nc2ccc(N)cc2)OC1 ZINC000884009081 646094783 /nfs/dbraw/zinc/09/47/83/646094783.db2.gz KWZNDEVNIOURTP-ZDUSSCGKSA-N 0 0 262.353 2.803 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H](F)C(F)(F)F ZINC000800186539 646178466 /nfs/dbraw/zinc/17/84/66/646178466.db2.gz FCNKQZVJAWJQOK-GQPNGRKGSA-N 0 0 294.200 2.555 20 10 CFCDRN Cc1c(C(=O)NCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000133776092 646226470 /nfs/dbraw/zinc/22/64/70/646226470.db2.gz GVRKHMRGQZUAFS-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN Cc1cccc(OCCC(=O)NCc2ccccc2O)c1 ZINC000133943309 646256270 /nfs/dbraw/zinc/25/62/70/646256270.db2.gz XXNZTMAJTOOOMP-UHFFFAOYSA-N 0 0 285.343 2.786 20 10 CFCDRN CCc1cccc(CC(=O)NCc2cccc(OC)c2O)c1 ZINC000134185299 646298737 /nfs/dbraw/zinc/29/87/37/646298737.db2.gz LHYRHUKASAJDCV-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN CN(C(=O)CC(F)(F)C(F)F)c1ccc(N)cc1 ZINC000884441959 646360811 /nfs/dbraw/zinc/36/08/11/646360811.db2.gz UAIVENCZJNCQQB-UHFFFAOYSA-N 0 0 264.222 2.522 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@]23C[C@H]2CCC3)cc1 ZINC000885991354 646799180 /nfs/dbraw/zinc/79/91/80/646799180.db2.gz BNVZUGQIRYZKBE-ABAIWWIYSA-N 0 0 286.335 2.769 20 10 CFCDRN CCN(C[C@H]1C[C@@]12CCOC2)c1ccc(OC)c(OC)c1 ZINC000886052666 646844076 /nfs/dbraw/zinc/84/40/76/646844076.db2.gz VVQKASRGEZZHPO-CXAGYDPISA-N 0 0 291.391 2.957 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886272025 646944355 /nfs/dbraw/zinc/94/43/55/646944355.db2.gz DVJOECVTZNJIRP-UHFFFAOYSA-N 0 0 288.347 2.946 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886489651 647016933 /nfs/dbraw/zinc/01/69/33/647016933.db2.gz NQSNMHXNLVMZRS-IAQYHMDHSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886508614 647023463 /nfs/dbraw/zinc/02/34/63/647023463.db2.gz HMUAFCOGVWSBCQ-MNOVXSKESA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886517825 647026172 /nfs/dbraw/zinc/02/61/72/647026172.db2.gz SCICWLVSXVTZSR-QWRGUYRKSA-N 0 0 275.327 2.603 20 10 CFCDRN CC(C)N(C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886521368 647026442 /nfs/dbraw/zinc/02/64/42/647026442.db2.gz ZLUURGXAGKYZBH-NSHDSACASA-N 0 0 254.349 2.522 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CC1)c1c([O-])cccc1F ZINC000886524058 647028012 /nfs/dbraw/zinc/02/80/12/647028012.db2.gz BREDBJPSJILZCU-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526400 647030136 /nfs/dbraw/zinc/03/01/36/647030136.db2.gz LPLSSTRDJNQQGI-QMTHXVAHSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886530975 647032708 /nfs/dbraw/zinc/03/27/08/647032708.db2.gz UONTUNBTNKEWEZ-STQMWFEESA-N 0 0 297.370 2.625 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534938 647033811 /nfs/dbraw/zinc/03/38/11/647033811.db2.gz RSAFCDAPZWALSM-RYUDHWBXSA-N 0 0 269.360 2.981 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886535421 647034970 /nfs/dbraw/zinc/03/49/70/647034970.db2.gz ZXBNVAMAJSHNPX-ZWNOBZJWSA-N 0 0 255.333 2.853 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1c([O-])cccc1F ZINC000886538146 647035853 /nfs/dbraw/zinc/03/58/53/647035853.db2.gz CEZWMLGPOPASPI-YGRLFVJLSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1c([O-])cccc1F ZINC000886551192 647043784 /nfs/dbraw/zinc/04/37/84/647043784.db2.gz DCTVEOBZDRKIIT-SKDRFNHKSA-N 0 0 275.327 2.983 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886551139 647043805 /nfs/dbraw/zinc/04/38/05/647043805.db2.gz CCJBJXJWXIZZMB-GXSJLCMTSA-N 0 0 277.343 2.845 20 10 CFCDRN Cc1cccc(NCC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886551316 647043832 /nfs/dbraw/zinc/04/38/32/647043832.db2.gz GCLOCTSLCNQJLN-GFCCVEGCSA-N 0 0 289.354 2.997 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886551140 647043906 /nfs/dbraw/zinc/04/39/06/647043906.db2.gz CCJBJXJWXIZZMB-KOLCDFICSA-N 0 0 277.343 2.845 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886555012 647045302 /nfs/dbraw/zinc/04/53/02/647045302.db2.gz IUZZCSQTBOOEKW-BXKDBHETSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]CCc1ccc(CO)cc1)c1c([O-])cccc1F ZINC000886561582 647048061 /nfs/dbraw/zinc/04/80/61/647048061.db2.gz BXPRKVMZIWZATM-LBPRGKRZSA-N 0 0 289.350 2.917 20 10 CFCDRN CO[C@@](C)(C[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886612466 647067414 /nfs/dbraw/zinc/06/74/14/647067414.db2.gz LVYMZQPCEJSIKW-BMIGLBTASA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H](O)C(F)F ZINC000886617210 647069636 /nfs/dbraw/zinc/06/96/36/647069636.db2.gz GUTZZOFUNUHYBF-DXBFQKDVSA-N 0 0 277.286 2.587 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886625448 647075620 /nfs/dbraw/zinc/07/56/20/647075620.db2.gz RMLBWKNWZCPLGF-GHMZBOCLSA-N 0 0 255.333 2.855 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1c([O-])cccc1F ZINC000886627198 647076157 /nfs/dbraw/zinc/07/61/57/647076157.db2.gz VURIYFVYHIHZCK-NXEZZACHSA-N 0 0 288.313 2.521 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1c([O-])cccc1F ZINC000886627200 647076512 /nfs/dbraw/zinc/07/65/12/647076512.db2.gz VURIYFVYHIHZCK-VHSXEESVSA-N 0 0 288.313 2.521 20 10 CFCDRN COc1ccnc(CN[C@H](C)c2c(O)cccc2F)c1F ZINC000886637766 647081884 /nfs/dbraw/zinc/08/18/84/647081884.db2.gz DZKUSLFEWXJRBM-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN COC(C)(C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886646150 647085506 /nfs/dbraw/zinc/08/55/06/647085506.db2.gz AQAITYVHLKCBJV-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000886790920 647138387 /nfs/dbraw/zinc/13/83/87/647138387.db2.gz QWWLCKXOBUJYPB-SCRDCRAPSA-N 0 0 297.370 2.624 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCC3(CCC3)CO2)cc1 ZINC000886961558 647183628 /nfs/dbraw/zinc/18/36/28/647183628.db2.gz TURFPXQQHXGFAU-CQSZACIVSA-N 0 0 289.379 2.740 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](c2ccccn2)C2CC2)cc1 ZINC000926140841 648415408 /nfs/dbraw/zinc/41/54/08/648415408.db2.gz BSXYQFOATOJPBY-OAHLLOKOSA-N 0 0 282.347 2.937 20 10 CFCDRN CCO[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])CN(C)C ZINC000926958372 648670958 /nfs/dbraw/zinc/67/09/58/648670958.db2.gz GRNNWJXSBPZUJT-UKRRQHHQSA-N 0 0 298.402 2.539 20 10 CFCDRN CC[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(F)cc1[O-] ZINC000927076985 648699734 /nfs/dbraw/zinc/69/97/34/648699734.db2.gz PXRDEJZOJSCENT-OAHLLOKOSA-N 0 0 297.370 2.768 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927413430 648771472 /nfs/dbraw/zinc/77/14/72/648771472.db2.gz PMNLAVIOGQOVSG-UJQMYZCJSA-N 0 0 287.359 2.663 20 10 CFCDRN CC(C)n1cccc1C(=O)NCc1c(O)cccc1F ZINC000928705604 648944602 /nfs/dbraw/zinc/94/46/02/648944602.db2.gz LWLVIGQQHGMBOO-UHFFFAOYSA-N 0 0 276.311 2.844 20 10 CFCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928706626 648945214 /nfs/dbraw/zinc/94/52/14/648945214.db2.gz SNUIQAMVXZAUKZ-GHMZBOCLSA-N 0 0 265.328 2.974 20 10 CFCDRN Cc1cc(C(=O)NCc2c(O)cccc2F)nn1C(C)C ZINC000928706984 648945422 /nfs/dbraw/zinc/94/54/22/648945422.db2.gz ZHLMGLFSQARFFT-UHFFFAOYSA-N 0 0 291.326 2.547 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928708426 648946031 /nfs/dbraw/zinc/94/60/31/648946031.db2.gz LTRRHPSNHCLUGB-SNVBAGLBSA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCC12CC2 ZINC000928710932 648946480 /nfs/dbraw/zinc/94/64/80/648946480.db2.gz YELXGIUGBXGTGO-NSHDSACASA-N 0 0 263.312 2.728 20 10 CFCDRN CCC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)COC1 ZINC000929527360 649066433 /nfs/dbraw/zinc/06/64/33/649066433.db2.gz MSUTUCLWCNQVTK-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN CCN(C)c1ccc(CN[C@]2(C)CC(C)(C)OC2=O)cc1 ZINC000930872549 649340991 /nfs/dbraw/zinc/34/09/91/649340991.db2.gz NFCOAKXYNYIYRF-QGZVFWFLSA-N 0 0 290.407 2.717 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000098122232 651070126 /nfs/dbraw/zinc/07/01/26/651070126.db2.gz SHKDTRASODGXBW-NEPJUHHUSA-N 0 0 264.369 2.968 20 10 CFCDRN Cc1ccc(OCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000119958814 651302105 /nfs/dbraw/zinc/30/21/05/651302105.db2.gz OPASFKOAFKYZLN-UHFFFAOYSA-N 0 0 285.343 2.738 20 10 CFCDRN Cc1ccnc(F)c1-c1ccn(CC2CC2)c(=O)c1 ZINC001243550157 782273786 /nfs/dbraw/zinc/27/37/86/782273786.db2.gz NVBXDHBTXQWVPC-UHFFFAOYSA-N 0 0 258.296 2.768 20 10 CFCDRN CO[C@H](CNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000692985894 770017349 /nfs/dbraw/zinc/01/73/49/770017349.db2.gz LCWKXTDCSCHELX-CQSZACIVSA-N 0 0 277.368 2.596 20 10 CFCDRN Oc1ccc(F)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001140059136 770116269 /nfs/dbraw/zinc/11/62/69/770116269.db2.gz UTIABGJQKFERJR-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN O=C1COc2cc(Nc3ccc4c(c3)OCCN4)ccc2N1 ZINC001209766478 770130652 /nfs/dbraw/zinc/13/06/52/770130652.db2.gz QCUJYJKZMVRQCZ-UHFFFAOYSA-N 0 0 297.314 2.565 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Cc2ccccc2)c1 ZINC001167290796 770222122 /nfs/dbraw/zinc/22/21/22/770222122.db2.gz KZUCMWFXESRCGR-UHFFFAOYSA-N 0 0 255.317 2.560 20 10 CFCDRN Cc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1F ZINC000255154851 770328251 /nfs/dbraw/zinc/32/82/51/770328251.db2.gz WMSJXLZFTIBZOT-UXBLZVDNSA-N 0 0 267.350 2.965 20 10 CFCDRN Cc1ncc(CNCc2c(O)cccc2Cl)o1 ZINC000397875660 770359229 /nfs/dbraw/zinc/35/92/29/770359229.db2.gz JWLRPAOOPLVMNV-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CC(C)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000386251612 770508651 /nfs/dbraw/zinc/50/86/51/770508651.db2.gz DDDOPPFELRQKCP-NSHDSACASA-N 0 0 270.804 2.864 20 10 CFCDRN C[C@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1[O-] ZINC000690707088 770511479 /nfs/dbraw/zinc/51/14/79/770511479.db2.gz XLYJIPAGTFVCGS-JTQLQIEISA-N 0 0 253.317 2.751 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1Cc2ccccc21 ZINC000588403925 770531846 /nfs/dbraw/zinc/53/18/46/770531846.db2.gz IPRGYOKQFODFAK-QPBFKRLHSA-N 0 0 295.338 2.567 20 10 CFCDRN CC(C)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000588403612 770532319 /nfs/dbraw/zinc/53/23/19/770532319.db2.gz RCZTUMSFRBEGFL-YWEYNIOJSA-N 0 0 275.348 2.758 20 10 CFCDRN CN(OCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588408587 770550271 /nfs/dbraw/zinc/55/02/71/770550271.db2.gz JBPOSIYLZPYYEY-NTMALXAHSA-N 0 0 299.326 2.701 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccccc1 ZINC000588432676 770659274 /nfs/dbraw/zinc/65/92/74/770659274.db2.gz WEWWEQDHPRBZSM-KJJQSCHISA-N 0 0 297.354 2.858 20 10 CFCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)C[C@@H]1CCCCO1 ZINC001140583539 770964872 /nfs/dbraw/zinc/96/48/72/770964872.db2.gz KKKUDWKGQLDVKI-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC001140584049 770969614 /nfs/dbraw/zinc/96/96/14/770969614.db2.gz DUPRLOPLXGCXEQ-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccc[nH]2)c1 ZINC000588549216 773192816 /nfs/dbraw/zinc/19/28/16/773192816.db2.gz JDIGEQMJQGLTFE-OFSNVTPPSA-N 0 0 286.331 2.620 20 10 CFCDRN C/C=C(/CC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000588573025 773246053 /nfs/dbraw/zinc/24/60/53/773246053.db2.gz IXZQJXSCXRGDEU-XGICHPGQSA-N 0 0 274.364 2.834 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690788406 775415416 /nfs/dbraw/zinc/41/54/16/775415416.db2.gz DPYJHKFHTXUEIP-NEPJUHHUSA-N 0 0 267.756 2.514 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000293660644 775694879 /nfs/dbraw/zinc/69/48/79/775694879.db2.gz PMRLAYZYRHKUNX-NWDGAFQWSA-N 0 0 273.735 2.578 20 10 CFCDRN CCC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)[C@@H](C)CC ZINC001226465130 775834659 /nfs/dbraw/zinc/83/46/59/775834659.db2.gz POQPVUCCAAKNAA-YUMQZZPRSA-N 0 0 286.324 2.808 20 10 CFCDRN CCCC[C@H](CCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226467678 775834876 /nfs/dbraw/zinc/83/48/76/775834876.db2.gz IWTCMUQBLOEVKN-QMMMGPOBSA-N 0 0 286.324 2.952 20 10 CFCDRN CCOC(=O)N1CCC[C@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939992 776334765 /nfs/dbraw/zinc/33/47/65/776334765.db2.gz HGEGKYNDFOYMQR-HNNXBMFYSA-N 0 0 292.379 2.752 20 10 CFCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC000692915375 776676114 /nfs/dbraw/zinc/67/61/14/776676114.db2.gz LTGSPTXGLGMLBT-FGWVZKOKSA-N 0 0 261.321 2.501 20 10 CFCDRN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C1CCCCC1 ZINC001231449388 777221404 /nfs/dbraw/zinc/22/14/04/777221404.db2.gz YKPLDXNKJDATLU-UHFFFAOYSA-N 0 0 263.337 2.855 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2CCC3(CCC3)CC2)c(O)c1 ZINC001231450029 777222255 /nfs/dbraw/zinc/22/22/55/777222255.db2.gz PJGGMYCMEJSTKL-UHFFFAOYSA-N 0 0 275.348 2.857 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(O)c1 ZINC001231452657 777223153 /nfs/dbraw/zinc/22/31/53/777223153.db2.gz QRHVIKFKDMQNTN-HNNXBMFYSA-N 0 0 298.342 2.823 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001231452158 777223942 /nfs/dbraw/zinc/22/39/42/777223942.db2.gz FRRFHVJXHBXELD-UHFFFAOYSA-N 0 0 297.354 2.691 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@H]1C ZINC001231560449 777259508 /nfs/dbraw/zinc/25/95/08/777259508.db2.gz INDBXYCCWKFWTI-NWDGAFQWSA-N 0 0 277.364 2.958 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231560466 777260119 /nfs/dbraw/zinc/26/01/19/777260119.db2.gz IUTGTDNZUXDMFQ-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@@H](C)C1 ZINC001231564079 777261596 /nfs/dbraw/zinc/26/15/96/777261596.db2.gz HYOIERIYCPMRQM-MNOVXSKESA-N 0 0 263.337 2.711 20 10 CFCDRN OC[C@@H]1CC(F)(F)CN1Cc1c(O)ccc2ccccc21 ZINC001231587604 777268584 /nfs/dbraw/zinc/26/85/84/777268584.db2.gz FZIJLYSBYBDBNX-LBPRGKRZSA-N 0 0 293.313 2.747 20 10 CFCDRN COc1cc(C[N@@H+]2CCc3sccc3C2)c(O)cc1O ZINC001231633721 777287640 /nfs/dbraw/zinc/28/76/40/777287640.db2.gz UWTNTAIQWOMSIX-UHFFFAOYSA-N 0 0 291.372 2.726 20 10 CFCDRN COc1ncc(F)cc1CN(C)Cc1ccccc1O ZINC001231746438 777323243 /nfs/dbraw/zinc/32/32/43/777323243.db2.gz FVYDFIPALZZUMR-UHFFFAOYSA-N 0 0 276.311 2.567 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@H](C)CC1 ZINC001231849320 777350349 /nfs/dbraw/zinc/35/03/49/777350349.db2.gz RETGCFXPHXWHHE-CYBMUJFWSA-N 0 0 290.407 2.562 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCOC[C@H]1C(C)C ZINC001231854614 777351705 /nfs/dbraw/zinc/35/17/05/777351705.db2.gz JJEBUCPSHKTKHJ-INIZCTEOSA-N 0 0 292.423 2.618 20 10 CFCDRN CCCCOC1CN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231853604 777351872 /nfs/dbraw/zinc/35/18/72/777351872.db2.gz MKCSKHMMCUJNEH-UHFFFAOYSA-N 0 0 292.423 2.762 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCCC[C@@H]1C(C)=O ZINC001231854678 777351907 /nfs/dbraw/zinc/35/19/07/777351907.db2.gz KHMLTMCJNTYQBB-MRXNPFEDSA-N 0 0 290.407 2.705 20 10 CFCDRN Cc1cc(O)c(CN2CCc3c(cnn3C)C2)cc1Cl ZINC001231870115 777358694 /nfs/dbraw/zinc/35/86/94/777358694.db2.gz JXTWUDRQQKFYSN-UHFFFAOYSA-N 0 0 291.782 2.646 20 10 CFCDRN OC[C@@H]1CC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231878456 777362795 /nfs/dbraw/zinc/36/27/95/777362795.db2.gz KOYVUCIJOVFIGL-ZDUSSCGKSA-N 0 0 293.313 2.747 20 10 CFCDRN Oc1c(CN2CCC23COC3)ccc2ccccc21 ZINC001231882239 777364588 /nfs/dbraw/zinc/36/45/88/777364588.db2.gz NVOQJDJLPNTPGS-UHFFFAOYSA-N 0 0 255.317 2.520 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1CO ZINC001231909409 777379016 /nfs/dbraw/zinc/37/90/16/777379016.db2.gz MSYPFZKRMBWFJK-GWCFXTLKSA-N 0 0 269.772 2.638 20 10 CFCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC001231912792 777381578 /nfs/dbraw/zinc/38/15/78/777381578.db2.gz ZRFKCUQCCIWNCP-ZYHUDNBSSA-N 0 0 297.782 2.819 20 10 CFCDRN CN1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231914187 777383296 /nfs/dbraw/zinc/38/32/96/777383296.db2.gz HKNYPOYMJXEZEC-FZMZJTMJSA-N 0 0 280.799 2.572 20 10 CFCDRN CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913237 777383423 /nfs/dbraw/zinc/38/34/23/777383423.db2.gz JFELCFHERYCQCQ-GFCCVEGCSA-N 0 0 296.798 2.536 20 10 CFCDRN COc1cc(O)c(C[N@H+]2CCC[C@H](OC)C2)cc1Cl ZINC001232263896 777497832 /nfs/dbraw/zinc/49/78/32/777497832.db2.gz FFWOFUQJCVMLKR-NSHDSACASA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(O)c(CN2C[C@H](F)C[C@H]2C)cc1Cl ZINC001232266913 777498878 /nfs/dbraw/zinc/49/88/78/777498878.db2.gz SQUNLSDNIZLBQG-PSASIEDQSA-N 0 0 273.735 2.987 20 10 CFCDRN Oc1cc(O)c(CN2Cc3ccncc3C2)cc1Cl ZINC001232267755 777499594 /nfs/dbraw/zinc/49/95/94/777499594.db2.gz LHYXVDAWWSNANP-UHFFFAOYSA-N 0 0 276.723 2.662 20 10 CFCDRN COC(=O)c1c(CN2CC(C)(F)C2)c2ccccc2n1C ZINC001232402228 777549488 /nfs/dbraw/zinc/54/94/88/777549488.db2.gz JHCDFQUIZOWWSD-UHFFFAOYSA-N 0 0 290.338 2.509 20 10 CFCDRN Oc1cc(O)c(CCNc2ccc(C3CC3)cn2)cc1O ZINC001168005871 777577545 /nfs/dbraw/zinc/57/75/45/777577545.db2.gz OJEXZIZNQRPBLY-UHFFFAOYSA-N 0 0 286.331 2.730 20 10 CFCDRN C[C@H]1CCN(Cc2ccc(N(C)C)cc2O)CC1(F)F ZINC001232835465 777686682 /nfs/dbraw/zinc/68/66/82/777686682.db2.gz CQUHFEAYAHRNRB-NSHDSACASA-N 0 0 284.350 2.935 20 10 CFCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCN(C)CC1 ZINC001233077384 777790020 /nfs/dbraw/zinc/79/00/20/777790020.db2.gz MGEYXNFQAUKPMY-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN CCOC(=O)c1c(CN2CC(F)C2)c2ccccc2n1C ZINC001233270675 777856529 /nfs/dbraw/zinc/85/65/29/777856529.db2.gz VZGNOKJDGSWVHG-UHFFFAOYSA-N 0 0 290.338 2.509 20 10 CFCDRN C[C@]1(CF)CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332334 777888673 /nfs/dbraw/zinc/88/86/73/777888673.db2.gz HMTSMMYMBLTBRD-CYBMUJFWSA-N 0 0 259.271 2.852 20 10 CFCDRN Cc1noc([C@@H]2CCCN2Cc2c(O)ccc(F)c2F)n1 ZINC001233335132 777892157 /nfs/dbraw/zinc/89/21/57/777892157.db2.gz INJMBNCMOWRWMD-NSHDSACASA-N 0 0 295.289 2.699 20 10 CFCDRN CSC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334605 777894918 /nfs/dbraw/zinc/89/49/18/777894918.db2.gz NHYACICPLNATFH-UHFFFAOYSA-N 0 0 273.348 2.998 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2c(O)ccc(F)c2F)CCO1 ZINC001233335851 777895927 /nfs/dbraw/zinc/89/59/27/777895927.db2.gz OAQOFXPCHOSUQE-ZDUSSCGKSA-N 0 0 271.307 2.527 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001233335564 777896039 /nfs/dbraw/zinc/89/60/39/777896039.db2.gz BFPIZNYTINWUGQ-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN O=C1CCN(Cc2ccc(C(F)(F)F)cc2O)C[C@H]1F ZINC001233454797 777960008 /nfs/dbraw/zinc/96/00/08/777960008.db2.gz KKWULVMCMYTDQX-SNVBAGLBSA-N 0 0 291.244 2.524 20 10 CFCDRN CCOC(=O)[C@H]1CCC[C@H]1Oc1ccc(N(C)C)cc1 ZINC001227939146 777965650 /nfs/dbraw/zinc/96/56/50/777965650.db2.gz NDZLZGVXWRPAJU-LSDHHAIUSA-N 0 0 277.364 2.863 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3CCn4ccnc43)ccc21 ZINC001233608576 778011627 /nfs/dbraw/zinc/01/16/27/778011627.db2.gz XBSQIRRPOQTQIL-OAHLLOKOSA-N 0 0 269.348 2.789 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235130046 778394179 /nfs/dbraw/zinc/39/41/79/778394179.db2.gz QNIQJWYXXQEPIZ-HNNXBMFYSA-N 0 0 298.789 2.903 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001142509102 778395516 /nfs/dbraw/zinc/39/55/16/778395516.db2.gz WXVKPIHKGCBFKL-LLVKDONJSA-N 0 0 281.224 2.850 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001142527078 778401806 /nfs/dbraw/zinc/40/18/06/778401806.db2.gz JXVGXLCWCIDRNZ-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN Cc1nc2c(s1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142530747 778403145 /nfs/dbraw/zinc/40/31/45/778403145.db2.gz LEHKJXUOIZLLFC-UHFFFAOYSA-N 0 0 282.315 2.951 20 10 CFCDRN CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001236134318 778708515 /nfs/dbraw/zinc/70/85/15/778708515.db2.gz AEUPKGNEHWVIHB-GFCCVEGCSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236222228 778745049 /nfs/dbraw/zinc/74/50/49/778745049.db2.gz KRBCIUNYOBLADJ-ZDUSSCGKSA-N 0 0 298.789 2.901 20 10 CFCDRN CC(=O)c1cccc(Nc2ccncc2Cl)c1O ZINC001212157565 778772018 /nfs/dbraw/zinc/77/20/18/778772018.db2.gz SBITUTNNCZJPDX-UHFFFAOYSA-N 0 0 262.696 2.809 20 10 CFCDRN COc1ccnc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000784226519 778927051 /nfs/dbraw/zinc/92/70/51/778927051.db2.gz UPBHJQNHRZBBJB-UHFFFAOYSA-N 0 0 299.374 2.555 20 10 CFCDRN OC[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c(Cl)cc1O ZINC001236792454 778939742 /nfs/dbraw/zinc/93/97/42/778939742.db2.gz DKNKWVGBFFZYLN-IUCAKERBSA-N 0 0 294.153 2.604 20 10 CFCDRN COc1cc(O)c(CN2CC[C@H](F)C2)c(Cl)c1 ZINC001236800368 778942683 /nfs/dbraw/zinc/94/26/83/778942683.db2.gz XTVAIAJJADZLGV-QMMMGPOBSA-N 0 0 259.708 2.598 20 10 CFCDRN COc1cc(O)c(CN2CCOC(C)(C)C2)c(Cl)c1 ZINC001236798904 778943601 /nfs/dbraw/zinc/94/36/01/778943601.db2.gz QBOVIICVPWQGED-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c([O-])c1Cl ZINC001236802058 778944939 /nfs/dbraw/zinc/94/49/39/778944939.db2.gz NPGPGNMQDWPMOK-MNOVXSKESA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(CN2CC[NH+](C(C)C)CC2)c([O-])c1Cl ZINC001236806684 778946570 /nfs/dbraw/zinc/94/65/70/778946570.db2.gz ZKBMELLFIGGOJZ-UHFFFAOYSA-N 0 0 298.814 2.580 20 10 CFCDRN COc1cc(O)c(CN2CC3(CSC3)C2)c(Cl)c1 ZINC001236806038 778946868 /nfs/dbraw/zinc/94/68/68/778946868.db2.gz LTBSPCXHJHQJIU-UHFFFAOYSA-N 0 0 285.796 2.603 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1Cl ZINC001236805844 778947385 /nfs/dbraw/zinc/94/73/85/778947385.db2.gz FTXYNEIYOLEBTE-JQWIXIFHSA-N 0 0 297.782 2.665 20 10 CFCDRN COC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236808413 778948797 /nfs/dbraw/zinc/94/87/97/778948797.db2.gz PBFFSVCGJOURBZ-CYBMUJFWSA-N 0 0 279.380 2.710 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c([O-])c1Cl ZINC001236811771 778949016 /nfs/dbraw/zinc/94/90/16/778949016.db2.gz ONJBPHJKTGLIJL-NSHDSACASA-N 0 0 299.798 2.649 20 10 CFCDRN COc1cc(C)c(CN(C)Cc2nccs2)c(O)c1 ZINC001236812042 778949283 /nfs/dbraw/zinc/94/92/83/778949283.db2.gz YLGTZBRSUIOKGH-UHFFFAOYSA-N 0 0 278.377 2.798 20 10 CFCDRN COc1cc(C)c(CN2CCn3cccc3C2)c(O)c1 ZINC001236814451 778950892 /nfs/dbraw/zinc/95/08/92/778950892.db2.gz RVHCEFKFAQGERI-UHFFFAOYSA-N 0 0 272.348 2.527 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCc3cccnc3C2)c(O)c1 ZINC001236821810 778953989 /nfs/dbraw/zinc/95/39/89/778953989.db2.gz UJJWQKXAFHAVRH-UHFFFAOYSA-N 0 0 284.359 2.663 20 10 CFCDRN Oc1cc2ccccc2cc1CN1Cc2cncnc2C1 ZINC001236827182 778957150 /nfs/dbraw/zinc/95/71/50/778957150.db2.gz QSIKYNFFMJGWFI-UHFFFAOYSA-N 0 0 277.327 2.851 20 10 CFCDRN Oc1cc2ccccc2cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC001236830771 778957732 /nfs/dbraw/zinc/95/77/32/778957732.db2.gz COKMBPFCYLLBHY-OAHLLOKOSA-N 0 0 293.313 2.747 20 10 CFCDRN CCOc1ccc(CN2Cc3ccncc3C2)c(O)c1 ZINC001237042712 778996355 /nfs/dbraw/zinc/99/63/55/778996355.db2.gz ZKZRRAKFZZUNTK-UHFFFAOYSA-N 0 0 270.332 2.702 20 10 CFCDRN CC(C)c1ccc(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001237048513 778999202 /nfs/dbraw/zinc/99/92/02/778999202.db2.gz HDUKBECHXUXONO-UHFFFAOYSA-N 0 0 279.380 2.710 20 10 CFCDRN Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237054208 779001813 /nfs/dbraw/zinc/00/18/13/779001813.db2.gz WROOAJDAJBZMKQ-PHIMTYICSA-N 0 0 287.281 2.785 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001237078337 779007215 /nfs/dbraw/zinc/00/72/15/779007215.db2.gz PVKBHPPYOSDYNS-GXSJLCMTSA-N 0 0 294.153 2.604 20 10 CFCDRN CN(Cc1cncnc1)Cc1c(O)ccc(F)c1Cl ZINC001237128011 779013223 /nfs/dbraw/zinc/01/32/23/779013223.db2.gz LHNIWYSWVFHWGS-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237125070 779020317 /nfs/dbraw/zinc/02/03/17/779020317.db2.gz WRRUZMSFOUSRNP-ZJUUUORDSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)[C@@H](C)CO1 ZINC001237129406 779021745 /nfs/dbraw/zinc/02/17/45/779021745.db2.gz YJWJOOHDMJSSRE-DTWKUNHWSA-N 0 0 273.735 2.794 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCCCC12COC2 ZINC001237126996 779021987 /nfs/dbraw/zinc/02/19/87/779021987.db2.gz RRSUFQQEUCIQTC-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)[C@H](C)CO1 ZINC001237131937 779022272 /nfs/dbraw/zinc/02/22/72/779022272.db2.gz YJWJOOHDMJSSRE-RKDXNWHRSA-N 0 0 273.735 2.794 20 10 CFCDRN CCO[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237131923 779022741 /nfs/dbraw/zinc/02/27/41/779022741.db2.gz YHIWTBQVIRCXKW-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CC[C@@H](F)C1 ZINC001237137164 779023287 /nfs/dbraw/zinc/02/32/87/779023287.db2.gz MVZNSUBPELFLNV-SNVBAGLBSA-N 0 0 263.234 2.955 20 10 CFCDRN C[C@]1(CO)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135669 779023524 /nfs/dbraw/zinc/02/35/24/779023524.db2.gz KLRNIOQCUGQBIB-ZDUSSCGKSA-N 0 0 289.297 2.615 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001237616516 779144885 /nfs/dbraw/zinc/14/48/85/779144885.db2.gz FQGGEQHQMFMNDY-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622602 779146894 /nfs/dbraw/zinc/14/68/94/779146894.db2.gz VGASCDIKHLAZTF-KWQFWETISA-N 0 0 273.735 2.530 20 10 CFCDRN CCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800136 779181518 /nfs/dbraw/zinc/18/15/18/779181518.db2.gz XTCQTCGSMISPND-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC2(COC2)CC1 ZINC001237808674 779184738 /nfs/dbraw/zinc/18/47/38/779184738.db2.gz VVBXEZBYZUVQIP-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC001237807491 779184850 /nfs/dbraw/zinc/18/48/50/779184850.db2.gz KHFFLOXZXKGBGP-NSHDSACASA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809200 779186105 /nfs/dbraw/zinc/18/61/05/779186105.db2.gz ZZKOMHMKXUBYKG-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1O ZINC001237933451 779209243 /nfs/dbraw/zinc/20/92/43/779209243.db2.gz BWLWMRFWIWFWSJ-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN O=C1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001237934655 779212150 /nfs/dbraw/zinc/21/21/50/779212150.db2.gz MJTPFUVYOPKHKN-JTQLQIEISA-N 0 0 289.709 2.688 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]12 ZINC001237943185 779213180 /nfs/dbraw/zinc/21/31/80/779213180.db2.gz LGONNSFEALOVOD-GXSJLCMTSA-N 0 0 297.757 2.986 20 10 CFCDRN CN(Cc1ccno1)Cc1cc(F)c(Cl)cc1O ZINC001237941494 779213396 /nfs/dbraw/zinc/21/33/96/779213396.db2.gz XIMTYZOOFHNRBK-UHFFFAOYSA-N 0 0 270.691 2.805 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237950561 779214309 /nfs/dbraw/zinc/21/43/09/779214309.db2.gz WQIZKIPXXUQSEI-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN Cc1cc(F)cc(CN2Cc3cccnc3C2)c1O ZINC001238058910 779241337 /nfs/dbraw/zinc/24/13/37/779241337.db2.gz WQKTWRZVGRCKCN-UHFFFAOYSA-N 0 0 258.296 2.751 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC001238055778 779241510 /nfs/dbraw/zinc/24/15/10/779241510.db2.gz DFSPKWMXGHESPX-DOMZBBRYSA-N 0 0 279.355 2.841 20 10 CFCDRN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238071132 779247161 /nfs/dbraw/zinc/24/71/61/779247161.db2.gz SOHJKGKKZRKQFT-MRXNPFEDSA-N 0 0 295.354 2.615 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnn(C(F)F)c3)cc21 ZINC001238868696 779409026 /nfs/dbraw/zinc/40/90/26/779409026.db2.gz BNADDJGBIAHYHS-UHFFFAOYSA-N 0 0 275.258 2.797 20 10 CFCDRN CC(C)(O)/C=C/c1cc(F)c(N2CCOCC2)c(F)c1 ZINC001239160913 779464880 /nfs/dbraw/zinc/46/48/80/779464880.db2.gz LEFIVZGPRHPNEA-ONEGZZNKSA-N 0 0 283.318 2.586 20 10 CFCDRN CC(C)=C[C@@H]1[C@H](C(=O)NCc2cccc(O)c2O)C1(C)C ZINC001123888347 779494637 /nfs/dbraw/zinc/49/46/37/779494637.db2.gz HQIFZHJUALFMBH-TZMCWYRMSA-N 0 0 289.375 2.952 20 10 CFCDRN CCCC[C@@H](CC)C(=O)NCc1cccc(O)c1O ZINC001123978636 779519974 /nfs/dbraw/zinc/51/99/74/779519974.db2.gz WNAGPTLAJVIMNN-LLVKDONJSA-N 0 0 265.353 2.930 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001237085078 779663263 /nfs/dbraw/zinc/66/32/63/779663263.db2.gz UYNSAOVVELYTTB-OCAPTIKFSA-N 0 0 274.147 2.672 20 10 CFCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1CC(F)(F)F ZINC001238868774 779843496 /nfs/dbraw/zinc/84/34/96/779843496.db2.gz FWRGDJRDXZIRCG-UHFFFAOYSA-N 0 0 293.195 2.669 20 10 CFCDRN Cc1ccncc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001239976838 779893108 /nfs/dbraw/zinc/89/31/08/779893108.db2.gz IKDXUJZAMAOAEU-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1C ZINC000386130176 779913905 /nfs/dbraw/zinc/91/39/05/779913905.db2.gz TYKDVOJJBGGCJG-UHFFFAOYSA-N 0 0 297.358 2.717 20 10 CFCDRN c1snnc1-c1nc(-c2cccc3ccncc32)no1 ZINC001212362206 779994087 /nfs/dbraw/zinc/99/40/87/779994087.db2.gz QGWUYWLSDZGFQU-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN Cc1cc(C)cc(-c2noc(-c3csnn3)n2)c1 ZINC001212362396 779994533 /nfs/dbraw/zinc/99/45/33/779994533.db2.gz RBVKCTRJTKVKQN-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN Cn1c(=O)cc(-c2ccc3nccn3c2)c2ccccc21 ZINC001240221288 780009212 /nfs/dbraw/zinc/00/92/12/780009212.db2.gz QNQOMMDBDJJMIW-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CC(=O)c1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212404985 780094386 /nfs/dbraw/zinc/09/43/86/780094386.db2.gz DCTVEEKNMMYJLM-UHFFFAOYSA-N 0 0 286.316 2.766 20 10 CFCDRN CCc1cccnc1-c1noc(-c2nnsc2C)n1 ZINC001212405570 780094986 /nfs/dbraw/zinc/09/49/86/780094986.db2.gz WSQZYQUQJQEUJU-UHFFFAOYSA-N 0 0 273.321 2.521 20 10 CFCDRN Cc1snnc1-c1nc(-c2cc(C)nc(C)c2)no1 ZINC001212405088 780095214 /nfs/dbraw/zinc/09/52/14/780095214.db2.gz GWFUYHRLACWDAI-UHFFFAOYSA-N 0 0 273.321 2.575 20 10 CFCDRN CCOc1cccc([C@@H]2NC(=O)c3cccc(C)c3N2)c1O ZINC000027578089 780129154 /nfs/dbraw/zinc/12/91/54/780129154.db2.gz BAVVYAFPNWECII-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn(CC3CC3)c2)cc1=O ZINC001240515362 780222129 /nfs/dbraw/zinc/22/21/29/780222129.db2.gz NENJJFBFADYBDV-UHFFFAOYSA-N 0 0 271.364 2.778 20 10 CFCDRN CCOC(=O)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574562 780265873 /nfs/dbraw/zinc/26/58/73/780265873.db2.gz RAUUPGSOKSVIPZ-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN CNC(=O)c1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574812 780266105 /nfs/dbraw/zinc/26/61/05/780266105.db2.gz FALFDTUMFMVKLB-UHFFFAOYSA-N 0 0 265.316 2.600 20 10 CFCDRN CN(C)c1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240573822 780266293 /nfs/dbraw/zinc/26/62/93/780266293.db2.gz LFSVFINQAYXRPL-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CC(C)n1cc(-c2ccc3ccn(C)c3c2)cnc1=O ZINC001240576373 780266876 /nfs/dbraw/zinc/26/68/76/780266876.db2.gz STQIYITVIQKVHL-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN COCCn1cc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240629891 780308028 /nfs/dbraw/zinc/30/80/28/780308028.db2.gz HRSIIIVFPOYEPU-UHFFFAOYSA-N 0 0 255.321 2.688 20 10 CFCDRN COC(=O)[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104341 780386961 /nfs/dbraw/zinc/38/69/61/780386961.db2.gz SAYLRGMKDRVDJF-AWEZNQCLSA-N 0 0 291.391 2.827 20 10 CFCDRN Cn1ccc(-c2cc(F)cc3cccnc32)cc1=O ZINC001240988877 780576692 /nfs/dbraw/zinc/57/66/92/780576692.db2.gz JPFWIIFNXNUSPQ-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN COc1ccc(O)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000700588170 780701324 /nfs/dbraw/zinc/70/13/24/780701324.db2.gz XKHLOGPLJBUILP-UHFFFAOYSA-N 0 0 267.712 2.937 20 10 CFCDRN CCc1cncc(-c2ncnc3c2ccn3CCOC)c1 ZINC001241365800 780817389 /nfs/dbraw/zinc/81/73/89/780817389.db2.gz RJKBZPCJJWKFLU-UHFFFAOYSA-N 0 0 282.347 2.702 20 10 CFCDRN CCN(Cc1ccccc1)C(=O)CN(C)c1ccc(N)cc1 ZINC000702069521 780871190 /nfs/dbraw/zinc/87/11/90/780871190.db2.gz MBRZNMMBRJTBOZ-UHFFFAOYSA-N 0 0 297.402 2.754 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(F)F ZINC000703234378 781000439 /nfs/dbraw/zinc/00/04/39/781000439.db2.gz QGWNDJSJYCAXCV-NSHDSACASA-N 0 0 263.234 2.805 20 10 CFCDRN CC[C@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000703276784 781001348 /nfs/dbraw/zinc/00/13/48/781001348.db2.gz YZQVMYPTQRIOTE-CYBMUJFWSA-N 0 0 259.296 2.575 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000703293999 781006195 /nfs/dbraw/zinc/00/61/95/781006195.db2.gz GIRJSOVABKAACB-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](CO)C2CCCCC2)ccc(F)c1F ZINC000703296951 781006522 /nfs/dbraw/zinc/00/65/22/781006522.db2.gz XPUNBSIEQMAHFU-CYBMUJFWSA-N 0 0 285.334 2.701 20 10 CFCDRN CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330068 781006571 /nfs/dbraw/zinc/00/65/71/781006571.db2.gz VGEIOGANNALTSD-SNVBAGLBSA-N 0 0 273.323 2.557 20 10 CFCDRN CCC[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCOC1 ZINC000703341325 781008179 /nfs/dbraw/zinc/00/81/79/781008179.db2.gz NXERZEAPDGXWFO-CQSZACIVSA-N 0 0 271.307 2.719 20 10 CFCDRN CCC[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCOC1 ZINC000703341324 781008292 /nfs/dbraw/zinc/00/82/92/781008292.db2.gz NXERZEAPDGXWFO-AWEZNQCLSA-N 0 0 271.307 2.719 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000703339554 781008736 /nfs/dbraw/zinc/00/87/36/781008736.db2.gz DFMFZNUPIBAEKM-JTQLQIEISA-N 0 0 259.296 2.575 20 10 CFCDRN CCOC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703365629 781010708 /nfs/dbraw/zinc/01/07/08/781010708.db2.gz PXEYSLRNDVWBIR-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN CO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC000703380969 781012800 /nfs/dbraw/zinc/01/28/00/781012800.db2.gz SMMSNHYIBVRROP-QWRGUYRKSA-N 0 0 271.307 2.574 20 10 CFCDRN COC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000703381549 781012988 /nfs/dbraw/zinc/01/29/88/781012988.db2.gz UPPRDPMHHTVLRU-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC3(C2)CCOCC3)ccc(F)c1F ZINC000703462817 781015673 /nfs/dbraw/zinc/01/56/73/781015673.db2.gz YEZZTKNHECFQER-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN CCOc1ccc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001241702111 781081245 /nfs/dbraw/zinc/08/12/45/781081245.db2.gz KSBQGVDXQKZNIA-UHFFFAOYSA-N 0 0 268.320 2.737 20 10 CFCDRN CCOc1ccc(-c2nnc(C)cc2-c2nccn2C)cn1 ZINC001241702889 781082539 /nfs/dbraw/zinc/08/25/39/781082539.db2.gz SBIRZULNQWVVEW-UHFFFAOYSA-N 0 0 295.346 2.646 20 10 CFCDRN CCOc1ccc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001241706470 781086780 /nfs/dbraw/zinc/08/67/80/781086780.db2.gz SQNIPKZWIFWCFI-UHFFFAOYSA-N 0 0 270.332 2.719 20 10 CFCDRN COc1cc(C)c(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001241776226 781123562 /nfs/dbraw/zinc/12/35/62/781123562.db2.gz ORDBCZRZKFJLAV-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN Cn1ccc2c1cccc2-c1ncnc2c1ncn2C ZINC001241819939 781143179 /nfs/dbraw/zinc/14/31/79/781143179.db2.gz YYMNHMHMXZHOCQ-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN CN(C)C(=O)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241822629 781144440 /nfs/dbraw/zinc/14/44/40/781144440.db2.gz PEHHWBDIXVQSGM-UHFFFAOYSA-N 0 0 279.343 2.942 20 10 CFCDRN COC(=O)Cc1ccncc1-c1cccc2c1ccn2C ZINC001241822553 781144835 /nfs/dbraw/zinc/14/48/35/781144835.db2.gz MIWNZFYFDJIVLR-UHFFFAOYSA-N 0 0 280.327 2.956 20 10 CFCDRN CNC(=O)c1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241823701 781145790 /nfs/dbraw/zinc/14/57/90/781145790.db2.gz COUWLSGKIOZECT-UHFFFAOYSA-N 0 0 265.316 2.600 20 10 CFCDRN CC(C)(C)C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393513 781271866 /nfs/dbraw/zinc/27/18/66/781271866.db2.gz GHSCPGLMVQTCIM-LLVKDONJSA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414400 781273624 /nfs/dbraw/zinc/27/36/24/781273624.db2.gz RUAGMZQLSGSMJC-AWEZNQCLSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000708455110 781275183 /nfs/dbraw/zinc/27/51/83/781275183.db2.gz SSOOKYQJQNXCLY-SNVBAGLBSA-N 0 0 271.307 2.577 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCSC1 ZINC000708494559 781291274 /nfs/dbraw/zinc/29/12/74/781291274.db2.gz LUMNYAJFLXZLJZ-SNVBAGLBSA-N 0 0 259.321 2.656 20 10 CFCDRN CSC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708494381 781291399 /nfs/dbraw/zinc/29/13/99/781291399.db2.gz HVOJUKPFHQAYNN-UHFFFAOYSA-N 0 0 259.321 2.656 20 10 CFCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708519932 781292649 /nfs/dbraw/zinc/29/26/49/781292649.db2.gz PQXMCLBEICBJPH-RNCFNFMXSA-N 0 0 273.323 2.821 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535648 781292658 /nfs/dbraw/zinc/29/26/58/781292658.db2.gz OQUOBIWXCYNZFC-CYBMUJFWSA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517635 781292736 /nfs/dbraw/zinc/29/27/36/781292736.db2.gz RBUDOCQZLLSNJI-CQSZACIVSA-N 0 0 271.307 2.575 20 10 CFCDRN COCCC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535206 781292860 /nfs/dbraw/zinc/29/28/60/781292860.db2.gz JMGOUZXRSMHEAA-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1ccccc1N(C)C ZINC001242173755 781313146 /nfs/dbraw/zinc/31/31/46/781313146.db2.gz OYNPRNDNDCPNJD-UHFFFAOYSA-N 0 0 296.374 2.811 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3cncc(C4CC4)c3)cc21 ZINC001242197869 781322734 /nfs/dbraw/zinc/32/27/34/781322734.db2.gz WVKOLBJYOBGMJO-UHFFFAOYSA-N 0 0 277.327 2.873 20 10 CFCDRN CC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000711246127 781401254 /nfs/dbraw/zinc/40/12/54/781401254.db2.gz FUVMTZNNBBDMDT-MNOVXSKESA-N 0 0 255.745 2.703 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711831628 781474964 /nfs/dbraw/zinc/47/49/64/781474964.db2.gz HEJMRYWVOXTGFU-HIFRSBDPSA-N 0 0 279.355 2.826 20 10 CFCDRN CC(C)n1cc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001242437346 781503777 /nfs/dbraw/zinc/50/37/77/781503777.db2.gz OONGDKLAVKJEBQ-UHFFFAOYSA-N 0 0 294.358 2.736 20 10 CFCDRN CN(C)c1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001242527384 781567971 /nfs/dbraw/zinc/56/79/71/781567971.db2.gz DALUPNWLECGNNN-UHFFFAOYSA-N 0 0 297.280 2.539 20 10 CFCDRN CC(C)(C)ONC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001119524135 781821098 /nfs/dbraw/zinc/82/10/98/781821098.db2.gz DJORVXKSJUIMBY-UHFFFAOYSA-N 0 0 281.333 2.772 20 10 CFCDRN COc1ccc(-c2ccn(CC3CC3)c(=O)c2)c(C)n1 ZINC001242928933 781850527 /nfs/dbraw/zinc/85/05/27/781850527.db2.gz IFHNZAFIELTMOD-UHFFFAOYSA-N 0 0 270.332 2.637 20 10 CFCDRN Cc1ncc(C(=O)Nc2ccc(N)cc2)c(C(C)C)n1 ZINC000178354035 282148217 /nfs/dbraw/zinc/14/82/17/282148217.db2.gz LGLWFDXSLSMGBP-UHFFFAOYSA-N 0 0 270.336 2.743 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(F)F ZINC000295101623 199345658 /nfs/dbraw/zinc/34/56/58/199345658.db2.gz SXTYFJWBBARPOM-GXSJLCMTSA-N 0 0 297.704 2.679 20 10 CFCDRN COc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117660 346360598 /nfs/dbraw/zinc/36/05/98/346360598.db2.gz RHXLVJUCYDWEBC-UHFFFAOYSA-N 0 0 299.370 2.992 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC(F)(F)F)cc1 ZINC000044604442 346396376 /nfs/dbraw/zinc/39/63/76/346396376.db2.gz UZURMYXCYVKWOH-UHFFFAOYSA-N 0 0 274.286 2.663 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000051374592 346503665 /nfs/dbraw/zinc/50/36/65/346503665.db2.gz GLOVEDJISZRVBU-CABCVRRESA-N 0 0 282.343 2.549 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)C3CCC3)CC2)cc1 ZINC000055877542 346598255 /nfs/dbraw/zinc/59/82/55/346598255.db2.gz VMKQJOZMQHISTO-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN CCC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730721 346649508 /nfs/dbraw/zinc/64/95/08/346649508.db2.gz PBJUELJCVJDWQY-NSHDSACASA-N 0 0 266.360 2.944 20 10 CFCDRN CN(Cc1ccccc1O)c1c(F)c(F)nc(F)c1F ZINC000089635465 347524486 /nfs/dbraw/zinc/52/44/86/347524486.db2.gz HPKJWMYDEOZDER-UHFFFAOYSA-N 0 0 286.228 2.980 20 10 CFCDRN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000158306987 291098244 /nfs/dbraw/zinc/09/82/44/291098244.db2.gz IUMUOURWLLZRSJ-NOLJZWGESA-N 0 0 272.392 2.991 20 10 CFCDRN C[C@H]([NH2+]CCOCC(F)F)c1ccc(F)c(F)c1[O-] ZINC000276627761 299299527 /nfs/dbraw/zinc/29/95/27/299299527.db2.gz IYZIBXLQWSMGDS-ZETCQYMHSA-N 0 0 281.249 2.603 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(F)c(F)c1[O-] ZINC000276964056 299379081 /nfs/dbraw/zinc/37/90/81/299379081.db2.gz SIHICZCQAACRRM-OPQQBVKSSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccc(F)c(F)c1[O-] ZINC000364797829 299395622 /nfs/dbraw/zinc/39/56/22/299395622.db2.gz IQFNXPDXEPOTCK-VHSXEESVSA-N 0 0 293.317 2.533 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H]1CCCO1 ZINC000191200932 296150228 /nfs/dbraw/zinc/15/02/28/296150228.db2.gz SERYWVZPVHGMQM-SBMIAAHKSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276865253 296157253 /nfs/dbraw/zinc/15/72/53/296157253.db2.gz DCMVDNHYWXFZTM-OPRDCNLKSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290104539 296159644 /nfs/dbraw/zinc/15/96/44/296159644.db2.gz IETHNQSQPGKRFD-QMTHXVAHSA-N 0 0 294.351 2.502 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(F)(F)F)cc1 ZINC000263654847 383685223 /nfs/dbraw/zinc/68/52/23/383685223.db2.gz GWKBOGZKPZPHDQ-UHFFFAOYSA-N 0 0 274.286 2.711 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000263661012 383685747 /nfs/dbraw/zinc/68/57/47/383685747.db2.gz AFUIHBIHNIDOFI-ZDUSSCGKSA-N 0 0 287.407 2.620 20 10 CFCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1cc(F)ccc1F ZINC000493636946 246651004 /nfs/dbraw/zinc/65/10/04/246651004.db2.gz ZYZWPUUMJJSIQA-ZZXKWVIFSA-N 0 0 276.286 2.980 20 10 CFCDRN C[C@H](NCc1ncn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000090969671 375037279 /nfs/dbraw/zinc/03/72/79/375037279.db2.gz KZGAKFIOHYAPTK-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN C[C@@H](NCc1ncn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000090969672 375037487 /nfs/dbraw/zinc/03/74/87/375037487.db2.gz KZGAKFIOHYAPTK-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000092328754 375102017 /nfs/dbraw/zinc/10/20/17/375102017.db2.gz VVTDBNFXKNXPOX-QMMMGPOBSA-N 0 0 264.300 2.987 20 10 CFCDRN CCOc1cccc(CN(C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000093773068 375310448 /nfs/dbraw/zinc/31/04/48/375310448.db2.gz GTRVBOJWOKMATL-LBPRGKRZSA-N 0 0 295.379 2.563 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(C)COC2)cc1 ZINC000112620024 375939363 /nfs/dbraw/zinc/93/93/63/375939363.db2.gz VQJLLXVYALGXOY-UHFFFAOYSA-N 0 0 298.386 2.860 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCOC1 ZINC000124593272 377068514 /nfs/dbraw/zinc/06/85/14/377068514.db2.gz FKAQODPEWNHAOD-LLVKDONJSA-N 0 0 269.772 2.904 20 10 CFCDRN COCCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000124833245 377093938 /nfs/dbraw/zinc/09/39/38/377093938.db2.gz VTAYCCDCWBBBDC-UHFFFAOYSA-N 0 0 299.798 2.673 20 10 CFCDRN CS[C@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000125814407 377195491 /nfs/dbraw/zinc/19/54/91/377195491.db2.gz JZJZFPMNCPYHEU-MRVPVSSYSA-N 0 0 290.226 2.996 20 10 CFCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(O)c1O ZINC000126337890 377221269 /nfs/dbraw/zinc/22/12/69/377221269.db2.gz AONZUTPDYLQYAL-ZYHUDNBSSA-N 0 0 263.337 2.749 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c(C)nn(C)c1Cl ZINC000127700520 377297832 /nfs/dbraw/zinc/29/78/32/377297832.db2.gz SRSDZNZOSGAIGQ-UHFFFAOYSA-N 0 0 291.782 2.953 20 10 CFCDRN COc1cccc(CNC(=O)[C@H](C)c2cccs2)c1O ZINC000131035281 377647815 /nfs/dbraw/zinc/64/78/15/377647815.db2.gz MQNZERUREFFLDF-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN CC(C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000133361623 377924239 /nfs/dbraw/zinc/92/42/39/377924239.db2.gz NTFKNRBRNIJIDC-LBPRGKRZSA-N 0 0 264.369 2.968 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000133465911 377931903 /nfs/dbraw/zinc/93/19/03/377931903.db2.gz DMNLGKQUXJUQGJ-GOEBONIOSA-N 0 0 261.365 2.844 20 10 CFCDRN CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134696860 378042465 /nfs/dbraw/zinc/04/24/65/378042465.db2.gz LTIGNZLUHGGRKH-LLVKDONJSA-N 0 0 278.179 2.806 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000156096921 378635398 /nfs/dbraw/zinc/63/53/98/378635398.db2.gz FWHQHELZPBGOLT-JTQLQIEISA-N 0 0 276.163 2.920 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc3c(c2)OCO3)c1 ZINC000160354712 378765231 /nfs/dbraw/zinc/76/52/31/378765231.db2.gz XJXOTMXBZMKWIG-ZZXKWVIFSA-N 0 0 296.326 2.795 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccnc1 ZINC000175200492 380019060 /nfs/dbraw/zinc/01/90/60/380019060.db2.gz QCSRBSJINYYBHU-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN CO[C@H](C)c1noc(CSc2nccs2)n1 ZINC000177257420 380321847 /nfs/dbraw/zinc/32/18/47/380321847.db2.gz FRVNMPSDCCHFNT-ZCFIWIBFSA-N 0 0 257.340 2.526 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000177372785 380336099 /nfs/dbraw/zinc/33/60/99/380336099.db2.gz CWXUZPICYLZABI-LLVKDONJSA-N 0 0 297.782 2.717 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(C)C)no2)c(OC)c1 ZINC000179008096 380500053 /nfs/dbraw/zinc/50/00/53/380500053.db2.gz OLUZZWGEUCEJJL-UHFFFAOYSA-N 0 0 291.351 2.847 20 10 CFCDRN CC(C)N1CCC[C@H](Sc2nccs2)C1=O ZINC000178506603 380459628 /nfs/dbraw/zinc/45/96/28/380459628.db2.gz JQCWZKDJFHMXGR-VIFPVBQESA-N 0 0 256.396 2.635 20 10 CFCDRN C[C@@H]1CSCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179660986 380568330 /nfs/dbraw/zinc/56/83/30/380568330.db2.gz CUISMPOEVHVMGD-GFCCVEGCSA-N 0 0 250.411 2.690 20 10 CFCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1O ZINC000180209194 380633633 /nfs/dbraw/zinc/63/36/33/380633633.db2.gz ARNGJTSBNFCVAG-JTQLQIEISA-N 0 0 283.343 2.693 20 10 CFCDRN CC(C)CO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180273931 380642209 /nfs/dbraw/zinc/64/22/09/380642209.db2.gz BGVGYQUCDRCQHN-AWEZNQCLSA-N 0 0 267.344 2.778 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000180036067 380614286 /nfs/dbraw/zinc/61/42/86/380614286.db2.gz GYXIOJUXHGTYPH-MRXNPFEDSA-N 0 0 278.396 2.574 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000180817659 380703302 /nfs/dbraw/zinc/70/33/02/380703302.db2.gz HEUIPKGXBHQMGO-QPJKDDTCSA-N 0 0 287.359 2.902 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000180406218 380652674 /nfs/dbraw/zinc/65/26/74/380652674.db2.gz YIWMQSMVVNQANC-LLVKDONJSA-N 0 0 295.688 2.545 20 10 CFCDRN C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])CCN1C ZINC000180424128 380657602 /nfs/dbraw/zinc/65/76/02/380657602.db2.gz MNPFFCSHPLYERI-YPMHNXCESA-N 0 0 282.815 2.960 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCC1 ZINC000181033875 380727443 /nfs/dbraw/zinc/72/74/43/380727443.db2.gz IZJOLEYKXVNCNB-RCQQVGEISA-N 0 0 287.359 2.902 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287562605 380869289 /nfs/dbraw/zinc/86/92/89/380869289.db2.gz QEXUTQZWWFMKNV-WOPDTQHZSA-N 0 0 294.351 2.624 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1CC(c2ccccc2)C1 ZINC000367898044 380851515 /nfs/dbraw/zinc/85/15/15/380851515.db2.gz ANKWSTCNICYGLT-UHFFFAOYSA-N 0 0 297.354 2.908 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295501605 380899147 /nfs/dbraw/zinc/89/91/47/380899147.db2.gz YJZKFAKYVFKKEU-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000287839763 380952049 /nfs/dbraw/zinc/95/20/49/380952049.db2.gz WBQYIJMHEKNSNR-JOYOIKCWSA-N 0 0 284.787 2.563 20 10 CFCDRN O=C1CCCc2nc(NCc3ccccc3O)ccc21 ZINC000295614863 380975109 /nfs/dbraw/zinc/97/51/09/380975109.db2.gz VPPBZTOVGUEDIR-UHFFFAOYSA-N 0 0 268.316 2.918 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295616012 380975331 /nfs/dbraw/zinc/97/53/31/380975331.db2.gz ZHWOPHJTXKYHJY-STQMWFEESA-N 0 0 277.364 2.583 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC3(C2)OCCO3)c1O ZINC000182081861 380987936 /nfs/dbraw/zinc/98/79/36/380987936.db2.gz ILRXFANMAUVAAR-UHFFFAOYSA-N 0 0 297.782 2.693 20 10 CFCDRN CC1(C)CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182522972 381106643 /nfs/dbraw/zinc/10/66/43/381106643.db2.gz URKBTJVKACPTFL-GFCCVEGCSA-N 0 0 277.364 2.930 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182526302 381107250 /nfs/dbraw/zinc/10/72/50/381107250.db2.gz RRYIDAFNSSVDFO-QWRGUYRKSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1noc([C@H](NCc2ccccc2O)c2ccccc2)n1 ZINC000369118731 381197932 /nfs/dbraw/zinc/19/79/32/381197932.db2.gz UDTYMOAZPVAWBR-MRXNPFEDSA-N 0 0 295.342 2.963 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296185306 381290782 /nfs/dbraw/zinc/29/07/82/381290782.db2.gz BFMFMJRTVSMDGC-RYUDHWBXSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1nc(Cl)cc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000183599954 381293717 /nfs/dbraw/zinc/29/37/17/381293717.db2.gz VBTOMPUCBYVZHV-MRVPVSSYSA-N 0 0 293.754 2.893 20 10 CFCDRN CCC[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183434406 381272143 /nfs/dbraw/zinc/27/21/43/381272143.db2.gz OIPYHAUVEDBLST-NEPJUHHUSA-N 0 0 279.380 2.971 20 10 CFCDRN CCC[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183434423 381272209 /nfs/dbraw/zinc/27/22/09/381272209.db2.gz OIPYHAUVEDBLST-RYUDHWBXSA-N 0 0 279.380 2.971 20 10 CFCDRN COc1ccc(O)c(CN2CCn3cccc3[C@@H]2C)c1 ZINC000183512386 381282013 /nfs/dbraw/zinc/28/20/13/381282013.db2.gz JSDILHDQJSWEDV-LBPRGKRZSA-N 0 0 272.348 2.779 20 10 CFCDRN C[C@H](NCC(F)(F)CO)c1cc2c(cc1O)CCCC2 ZINC000184713054 381467413 /nfs/dbraw/zinc/46/74/13/381467413.db2.gz CAPAMXUSGTYIJS-JTQLQIEISA-N 0 0 285.334 2.549 20 10 CFCDRN CC(=O)CCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000184991837 381507413 /nfs/dbraw/zinc/50/74/13/381507413.db2.gz UCQIFCPJGBSEDR-UHFFFAOYSA-N 0 0 289.375 2.647 20 10 CFCDRN COc1ccc(C[C@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000296855739 381545247 /nfs/dbraw/zinc/54/52/47/381545247.db2.gz CTTUZBFTYQEGRH-ZDUSSCGKSA-N 0 0 298.386 2.772 20 10 CFCDRN CCOCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185070982 381527690 /nfs/dbraw/zinc/52/76/90/381527690.db2.gz NPTGWTVIWCYORB-LLVKDONJSA-N 0 0 255.333 2.999 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000296768292 381535570 /nfs/dbraw/zinc/53/55/70/381535570.db2.gz GRJIVDYLGXCMJR-UHFFFAOYSA-N 0 0 297.358 2.940 20 10 CFCDRN CCc1nnc(CN[C@H]2CCc3cccc(O)c32)s1 ZINC000297461108 381560896 /nfs/dbraw/zinc/56/08/96/381560896.db2.gz XTZKDXZFYUJPIM-JTQLQIEISA-N 0 0 275.377 2.583 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000185307954 381593586 /nfs/dbraw/zinc/59/35/86/381593586.db2.gz ARFFKZDJWVOIIC-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000371412894 381618602 /nfs/dbraw/zinc/61/86/02/381618602.db2.gz YMKGCISFHHINHC-HZPDHXFCSA-N 0 0 260.381 2.506 20 10 CFCDRN CS[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298438527 381625434 /nfs/dbraw/zinc/62/54/34/381625434.db2.gz YWMNATNYIHIEEN-GFCCVEGCSA-N 0 0 292.448 2.995 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1COc2ccccc2C1 ZINC000298768455 381743341 /nfs/dbraw/zinc/74/33/41/381743341.db2.gz BLFYTAHPAIUJAN-OAHLLOKOSA-N 0 0 297.354 2.602 20 10 CFCDRN CCOc1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298803578 381751767 /nfs/dbraw/zinc/75/17/67/381751767.db2.gz QSOSLYXQGAIXKF-UHFFFAOYSA-N 0 0 299.370 2.992 20 10 CFCDRN Oc1cc2c(cc1CN1CCOCc3ccccc31)OCO2 ZINC000291472610 381763258 /nfs/dbraw/zinc/76/32/58/381763258.db2.gz DYXDLNACLSFIQO-UHFFFAOYSA-N 0 0 299.326 2.658 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000186143437 381833817 /nfs/dbraw/zinc/83/38/17/381833817.db2.gz KYAQODHYBINRHW-ZYHUDNBSSA-N 0 0 269.360 2.979 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000186153507 381835656 /nfs/dbraw/zinc/83/56/56/381835656.db2.gz HXXZSBDLPFOHFO-ZANVPECISA-N 0 0 253.317 2.607 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC=CCC1 ZINC000299326126 381895935 /nfs/dbraw/zinc/89/59/35/381895935.db2.gz PYLKAOCNAAPGJS-ZDUSSCGKSA-N 0 0 274.364 2.890 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000186415151 381905938 /nfs/dbraw/zinc/90/59/38/381905938.db2.gz SKQWPGUUBPJHNI-RWMBFGLXSA-N 0 0 291.391 2.971 20 10 CFCDRN Cc1cccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000372996343 381906511 /nfs/dbraw/zinc/90/65/11/381906511.db2.gz HYOZQTVYFHRPHY-OAHLLOKOSA-N 0 0 285.391 2.814 20 10 CFCDRN Oc1ccccc1CNc1ccc(OC2COC2)cc1 ZINC000186505551 381930317 /nfs/dbraw/zinc/93/03/17/381930317.db2.gz OQNDRPHMIQIBOX-UHFFFAOYSA-N 0 0 271.316 2.782 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000186852878 382030550 /nfs/dbraw/zinc/03/05/50/382030550.db2.gz XFDHBJCLTFSTJI-ZDUSSCGKSA-N 0 0 299.436 2.566 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000375883500 382109654 /nfs/dbraw/zinc/10/96/54/382109654.db2.gz CJXCOUKMDJIKQX-GXTWGEPZSA-N 0 0 289.354 2.853 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000376043682 382117008 /nfs/dbraw/zinc/11/70/08/382117008.db2.gz QWBKMGBJMZUTGK-HNNXBMFYSA-N 0 0 281.783 2.701 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000376043684 382117400 /nfs/dbraw/zinc/11/74/00/382117400.db2.gz QWBKMGBJMZUTGK-OAHLLOKOSA-N 0 0 281.783 2.701 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000293567315 382179239 /nfs/dbraw/zinc/17/92/39/382179239.db2.gz GQDIRLWMBOVDFC-UHFFFAOYSA-N 0 0 280.324 2.587 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000293622606 382200743 /nfs/dbraw/zinc/20/07/43/382200743.db2.gz MOADZNVXDPUWRC-WPRPVWTQSA-N 0 0 273.735 2.842 20 10 CFCDRN C/C(=C\c1nccn1CC(F)(F)F)c1cnccn1 ZINC000187648355 382235437 /nfs/dbraw/zinc/23/54/37/382235437.db2.gz WLCGRDLXBXPJRY-RMKNXTFCSA-N 0 0 268.242 2.796 20 10 CFCDRN C[C@@H]([NH2+]CCCCCCO)c1ccc(F)c(F)c1[O-] ZINC000187830301 382278558 /nfs/dbraw/zinc/27/85/58/382278558.db2.gz HUFLPHVUJNGROJ-SNVBAGLBSA-N 0 0 273.323 2.874 20 10 CFCDRN C[C@@H]([NH2+]CC1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187684597 382246594 /nfs/dbraw/zinc/24/65/94/382246594.db2.gz JQUJBZAIIUSBBE-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])N(C)C1CC1 ZINC000187702303 382251787 /nfs/dbraw/zinc/25/17/87/382251787.db2.gz AZRFBKPUWGICFY-ZJUUUORDSA-N 0 0 284.350 2.804 20 10 CFCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)co1 ZINC000187707646 382253096 /nfs/dbraw/zinc/25/30/96/382253096.db2.gz RZIZCJPLHUALMX-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000377465994 382273617 /nfs/dbraw/zinc/27/36/17/382273617.db2.gz USSNQONSLNBSCW-CQSZACIVSA-N 0 0 288.734 2.864 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364610818 382337257 /nfs/dbraw/zinc/33/72/57/382337257.db2.gz XAJWZVAFINLYKL-GFCCVEGCSA-N 0 0 292.335 2.683 20 10 CFCDRN Cc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000293989699 382367515 /nfs/dbraw/zinc/36/75/15/382367515.db2.gz RYWOZUWIMBGFBA-CQSZACIVSA-N 0 0 261.365 2.580 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@H]2C1 ZINC000365266758 382368892 /nfs/dbraw/zinc/36/88/92/382368892.db2.gz LMBDVRJOLKJHRV-GWCFXTLKSA-N 0 0 298.789 2.711 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000294014876 382378505 /nfs/dbraw/zinc/37/85/05/382378505.db2.gz UNCXULYRCKOISE-CHWSQXEVSA-N 0 0 287.762 2.968 20 10 CFCDRN C[C@H](C1CC1)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188300325 382387862 /nfs/dbraw/zinc/38/78/62/382387862.db2.gz BFAQOAUUHFZLIY-SECBINFHSA-N 0 0 261.321 2.501 20 10 CFCDRN CC(C)=CC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378367051 382447979 /nfs/dbraw/zinc/44/79/79/382447979.db2.gz CWYFQQCYNBXZGK-UHFFFAOYSA-N 0 0 270.376 2.944 20 10 CFCDRN CCCO[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000188447550 382415167 /nfs/dbraw/zinc/41/51/67/382415167.db2.gz IEEBVUCFUQDOII-LBPRGKRZSA-N 0 0 293.363 2.519 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2occc2C1 ZINC000366511601 382523905 /nfs/dbraw/zinc/52/39/05/382523905.db2.gz GHIKQFVIGOKCOP-GQCTYLIASA-N 0 0 299.326 2.679 20 10 CFCDRN Cn1cc(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294315099 382506954 /nfs/dbraw/zinc/50/69/54/382506954.db2.gz QRWGXVVMPFCQPU-UHFFFAOYSA-N 0 0 297.761 2.641 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)NCC3CC3)cc12 ZINC000421202194 382508730 /nfs/dbraw/zinc/50/87/30/382508730.db2.gz PWXZSLITIODKTC-UHFFFAOYSA-N 0 0 286.375 2.700 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N(C)C3CC3)cc12 ZINC000421208033 382509247 /nfs/dbraw/zinc/50/92/47/382509247.db2.gz XEKVSEYHEMKZGA-UHFFFAOYSA-N 0 0 286.375 2.795 20 10 CFCDRN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294391233 382511624 /nfs/dbraw/zinc/51/16/24/382511624.db2.gz VITYZYYGZZCPMG-VIFPVBQESA-N 0 0 283.734 2.560 20 10 CFCDRN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000294431659 382513101 /nfs/dbraw/zinc/51/31/01/382513101.db2.gz ZUCUZNYSTRHRJR-AAEUAGOBSA-N 0 0 283.375 2.970 20 10 CFCDRN CCn1cc([C@H](C)[NH2+]Cc2cccc(F)c2[O-])cn1 ZINC000294834069 382534146 /nfs/dbraw/zinc/53/41/46/382534146.db2.gz LUPRVVYTRXNSPW-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN COC(=O)c1cnc(SCc2scnc2C)s1 ZINC000295146076 382577950 /nfs/dbraw/zinc/57/79/50/382577950.db2.gz DQQYPXMMQOKSSJ-UHFFFAOYSA-N 0 0 286.403 2.987 20 10 CFCDRN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274042 382604872 /nfs/dbraw/zinc/60/48/72/382604872.db2.gz HWOJMMUSYAMPOM-KOLCDFICSA-N 0 0 287.762 2.920 20 10 CFCDRN COC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295316871 382615230 /nfs/dbraw/zinc/61/52/30/382615230.db2.gz LAJQOPPPXGOLTQ-MRVPVSSYSA-N 0 0 261.724 2.651 20 10 CFCDRN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccc(O)c1O ZINC000189523653 382619932 /nfs/dbraw/zinc/61/99/32/382619932.db2.gz IQTVUHJBBWEHST-APHBMKBZSA-N 0 0 295.338 2.556 20 10 CFCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000189876491 382643585 /nfs/dbraw/zinc/64/35/85/382643585.db2.gz ZAHLPFZUYJFHCR-JTQLQIEISA-N 0 0 297.704 2.791 20 10 CFCDRN CC[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190104477 382653437 /nfs/dbraw/zinc/65/34/37/382653437.db2.gz JBBRRJGLUSQWHX-QWRGUYRKSA-N 0 0 265.353 2.581 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC[C@@H](C)O2)cc1F ZINC000190687007 382677990 /nfs/dbraw/zinc/67/79/90/382677990.db2.gz FADRCDHMUIDDRJ-ZYHUDNBSSA-N 0 0 253.317 2.838 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@H](O)C1CCCCC1 ZINC000190861042 382682990 /nfs/dbraw/zinc/68/29/90/382682990.db2.gz YLVALZCIWOJMBE-INIZCTEOSA-N 0 0 263.381 2.765 20 10 CFCDRN CN(CCCOc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237109992 382949535 /nfs/dbraw/zinc/94/95/35/382949535.db2.gz RVINYXBIWPEXLO-UHFFFAOYSA-N 0 0 298.386 2.739 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(=O)[nH]1 ZINC000338923970 383087916 /nfs/dbraw/zinc/08/79/16/383087916.db2.gz IBWDEOMCSQGWBB-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c1 ZINC000528861762 383664270 /nfs/dbraw/zinc/66/42/70/383664270.db2.gz PIVLFONSLLKDRD-GYHMKYFYSA-N 0 0 289.375 2.870 20 10 CFCDRN CCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000267197451 384321341 /nfs/dbraw/zinc/32/13/41/384321341.db2.gz MWNXZHDGAUEFFN-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN CC1CC(NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000267823327 384472401 /nfs/dbraw/zinc/47/24/01/384472401.db2.gz HJBPPXGTSKSKOC-UHFFFAOYSA-N 0 0 287.407 2.667 20 10 CFCDRN CC[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000268075511 384524843 /nfs/dbraw/zinc/52/48/43/384524843.db2.gz AACSHDGMYFLNIP-HOTGVXAUSA-N 0 0 290.407 2.669 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000268736873 384654827 /nfs/dbraw/zinc/65/48/27/384654827.db2.gz LRLDRIMTSMJJGG-USXIJHARSA-N 0 0 294.354 2.530 20 10 CFCDRN CCOCCC1(C(=O)NCc2ccccc2O)CCC1 ZINC000269501230 384769813 /nfs/dbraw/zinc/76/98/13/384769813.db2.gz FKEFWMKHKDFQGK-UHFFFAOYSA-N 0 0 277.364 2.605 20 10 CFCDRN CC1=CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000270385003 385082994 /nfs/dbraw/zinc/08/29/94/385082994.db2.gz WZKUHOWBTKFXNK-UHFFFAOYSA-N 0 0 291.370 2.753 20 10 CFCDRN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000281161719 385185412 /nfs/dbraw/zinc/18/54/12/385185412.db2.gz VVJDNADSOIIGRF-WZRBSPASSA-N 0 0 295.354 2.914 20 10 CFCDRN CCOc1ccc(O)c(CN(CC(=O)OC)[C@@H](C)CC)c1 ZINC000281333471 385189190 /nfs/dbraw/zinc/18/91/90/385189190.db2.gz SCMLTZQDJUEMRC-LBPRGKRZSA-N 0 0 295.379 2.564 20 10 CFCDRN COc1ccc(N(C)CCCn2ccnc2C)c(OC)c1 ZINC000270605156 385163091 /nfs/dbraw/zinc/16/30/91/385163091.db2.gz HKCKOLYNSWBAML-UHFFFAOYSA-N 0 0 289.379 2.735 20 10 CFCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccn(C)c2)C1 ZINC000282273233 385266080 /nfs/dbraw/zinc/26/60/80/385266080.db2.gz XOMKNPGUNDNATI-KXPUMZMLSA-N 0 0 296.370 2.643 20 10 CFCDRN Cn1cnnc1[C@H]1CCCN1Cc1c(O)cccc1Cl ZINC000271167963 385358901 /nfs/dbraw/zinc/35/89/01/385358901.db2.gz CSFFPLFSERVJOP-GFCCVEGCSA-N 0 0 292.770 2.511 20 10 CFCDRN Cn1cnnc1[C@@H]1CCCN1Cc1c(O)cccc1Cl ZINC000271167964 385359490 /nfs/dbraw/zinc/35/94/90/385359490.db2.gz CSFFPLFSERVJOP-LBPRGKRZSA-N 0 0 292.770 2.511 20 10 CFCDRN COC(=O)[C@]1(C)C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000282714722 385375791 /nfs/dbraw/zinc/37/57/91/385375791.db2.gz LACPSXKJZORREJ-MEBBXXQBSA-N 0 0 297.782 2.677 20 10 CFCDRN CCCN(CC1CC1)C(=O)c1ccc(C)c(O)c1O ZINC000271235777 385377887 /nfs/dbraw/zinc/37/78/87/385377887.db2.gz CIYHZARFFMWBFJ-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271479880 385383744 /nfs/dbraw/zinc/38/37/44/385383744.db2.gz JMDSUHOELUQUET-VXGBXAGGSA-N 0 0 287.411 2.845 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc([C@@H](C)O)s1 ZINC000283852715 385508071 /nfs/dbraw/zinc/50/80/71/385508071.db2.gz DLDJQAWUMTUDGV-SNVBAGLBSA-N 0 0 290.388 2.768 20 10 CFCDRN CC(C)[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272381731 385524358 /nfs/dbraw/zinc/52/43/58/385524358.db2.gz FQVRINSWPOCEJY-LXSSAFMLSA-N 0 0 263.337 2.614 20 10 CFCDRN CC[C@H]([NH2+]CCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000285782150 385556852 /nfs/dbraw/zinc/55/68/52/385556852.db2.gz UEFKXKJUHBIXKU-AWEZNQCLSA-N 0 0 277.343 2.859 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(F)cc1[O-] ZINC000285920689 385558487 /nfs/dbraw/zinc/55/84/87/385558487.db2.gz DTROSAAGTXEACO-GXFFZTMASA-N 0 0 255.333 2.733 20 10 CFCDRN CCC[C@@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286084976 385559538 /nfs/dbraw/zinc/55/95/38/385559538.db2.gz MNBNBFIPARVWFM-DGCLKSJQSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286204480 385571659 /nfs/dbraw/zinc/57/16/59/385571659.db2.gz RMVPHAGCJMZRCW-OCCSQVGLSA-N 0 0 294.370 2.581 20 10 CFCDRN CCc1nc(C)cc(N(C)Cc2ccccc2O)n1 ZINC000286531727 385642983 /nfs/dbraw/zinc/64/29/83/385642983.db2.gz OXEJWTJTQSAYGJ-UHFFFAOYSA-N 0 0 257.337 2.689 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(C)=O ZINC000273220017 385672873 /nfs/dbraw/zinc/67/28/73/385672873.db2.gz MUBOBLFTDUYPDV-UHFFFAOYSA-N 0 0 290.407 2.860 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000273372564 385678672 /nfs/dbraw/zinc/67/86/72/385678672.db2.gz GJKIZNAMHTZUGR-UWVGGRQHSA-N 0 0 263.337 2.628 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000273372566 385679667 /nfs/dbraw/zinc/67/96/67/385679667.db2.gz GJKIZNAMHTZUGR-VHSXEESVSA-N 0 0 263.337 2.628 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273427623 385682424 /nfs/dbraw/zinc/68/24/24/385682424.db2.gz USLYFPIFEJNKJV-SECBINFHSA-N 0 0 252.314 2.997 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273427626 385683136 /nfs/dbraw/zinc/68/31/36/385683136.db2.gz USLYFPIFEJNKJV-VIFPVBQESA-N 0 0 252.314 2.997 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000273447835 385684075 /nfs/dbraw/zinc/68/40/75/385684075.db2.gz FNAQSDVOIBENHF-YPMHNXCESA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273488252 385684208 /nfs/dbraw/zinc/68/42/08/385684208.db2.gz NTVYNNIXHUUBSB-PGUXBMHVSA-N 0 0 294.351 2.909 20 10 CFCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557721 385687901 /nfs/dbraw/zinc/68/79/01/385687901.db2.gz HFUIGYQALQAUKF-NWDGAFQWSA-N 0 0 296.367 2.750 20 10 CFCDRN CSC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611053 385691605 /nfs/dbraw/zinc/69/16/05/385691605.db2.gz VWPBJVLDJXVJBI-DTWKUNHWSA-N 0 0 270.354 2.703 20 10 CFCDRN COc1cc(Cl)cc(CN(C)Cc2ccon2)c1O ZINC000273722821 385694236 /nfs/dbraw/zinc/69/42/36/385694236.db2.gz INIABCPUWGFFTI-UHFFFAOYSA-N 0 0 282.727 2.674 20 10 CFCDRN Cc1[nH]nc(C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000352112173 533668531 /nfs/dbraw/zinc/66/85/31/533668531.db2.gz QWIWMKBEDBPSRW-UHFFFAOYSA-N 0 0 296.374 2.757 20 10 CFCDRN C[C@@H](C1CC1)N(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372449432 393449299 /nfs/dbraw/zinc/44/92/99/393449299.db2.gz ZGGRYYUHVMKUMC-LBPRGKRZSA-N 0 0 287.407 2.619 20 10 CFCDRN C[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000105311054 393864015 /nfs/dbraw/zinc/86/40/15/393864015.db2.gz LUGGCKUEHKKHIC-WCQYABFASA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1oc2ncnc(NCCc3ccc(O)c(O)c3)c2c1C ZINC000118993419 393912467 /nfs/dbraw/zinc/91/24/67/393912467.db2.gz WJDZOLDCBVYYSQ-UHFFFAOYSA-N 0 0 299.330 2.905 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CCCO1 ZINC000348635712 393955857 /nfs/dbraw/zinc/95/58/57/393955857.db2.gz SQYQVEKGQOYWSA-CYBMUJFWSA-N 0 0 286.375 2.672 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC1CC1 ZINC000348696169 393956605 /nfs/dbraw/zinc/95/66/05/393956605.db2.gz CBXGXIKYKIZOBA-UHFFFAOYSA-N 0 0 256.349 2.903 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1F ZINC000121723693 393959228 /nfs/dbraw/zinc/95/92/28/393959228.db2.gz GZGNBHYLXSNACO-LBPRGKRZSA-N 0 0 294.370 2.672 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)on2)cc1F ZINC000121746741 393959452 /nfs/dbraw/zinc/95/94/52/393959452.db2.gz KDGXKCDUMAAJAK-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN CCN(CC)C(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000121909496 393961888 /nfs/dbraw/zinc/96/18/88/393961888.db2.gz GOPZGWFMNKANCH-UHFFFAOYSA-N 0 0 284.787 2.653 20 10 CFCDRN CC(C)C[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122627352 393970423 /nfs/dbraw/zinc/97/04/23/393970423.db2.gz LOMLDSOJZPQLKG-LBPRGKRZSA-N 0 0 279.380 2.829 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276891074 394053175 /nfs/dbraw/zinc/05/31/75/394053175.db2.gz HQFZWVBFZCSVKI-FCVPOFOPSA-N 0 0 271.307 2.648 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2cc(F)ccc21 ZINC000492807496 394077498 /nfs/dbraw/zinc/07/74/98/394077498.db2.gz BJACHLCRCMSETP-UTCJRWHESA-N 0 0 268.291 2.823 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncs2)n1 ZINC000492945127 394103827 /nfs/dbraw/zinc/10/38/27/394103827.db2.gz BVPVJQMURQJIDO-SREVYHEPSA-N 0 0 259.334 2.523 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000281860831 394084967 /nfs/dbraw/zinc/08/49/67/394084967.db2.gz RWMCIGUDIBWHPX-GDBMZVCRSA-N 0 0 287.407 2.885 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(N(C)C)s2)cc1F ZINC000272562820 394030823 /nfs/dbraw/zinc/03/08/23/394030823.db2.gz ULUCOIKQNJDAGY-UHFFFAOYSA-N 0 0 295.383 2.993 20 10 CFCDRN C[C@H]([NH2+]CCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365544 394034588 /nfs/dbraw/zinc/03/45/88/394034588.db2.gz BISJSSYUQKTTKE-VIFPVBQESA-N 0 0 293.348 2.650 20 10 CFCDRN COc1ncc(/C=C\C(=O)N2C[C@@H](C)c3ccccc32)cn1 ZINC000493009006 394123044 /nfs/dbraw/zinc/12/30/44/394123044.db2.gz VDBVUSRAIORHHV-QDZRJHCZSA-N 0 0 295.342 2.649 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCOc2ccc(F)cc21 ZINC000493215566 394181719 /nfs/dbraw/zinc/18/17/19/394181719.db2.gz HOKRASADJDZKSE-DUXPYHPUSA-N 0 0 290.319 2.721 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000493545600 394273886 /nfs/dbraw/zinc/27/38/86/394273886.db2.gz CVAKCVPYPKEMPU-WAYWQWQTSA-N 0 0 289.316 2.728 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCc2ccccc21 ZINC000493869605 394333978 /nfs/dbraw/zinc/33/39/78/394333978.db2.gz LGGSYFAIUNLNRH-AATRIKPKSA-N 0 0 256.330 2.746 20 10 CFCDRN CC[C@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193106886 288439876 /nfs/dbraw/zinc/43/98/76/288439876.db2.gz WDSLCPREBLFGPN-OAHLLOKOSA-N 0 0 263.337 2.750 20 10 CFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(O)c1O ZINC000272963760 287118751 /nfs/dbraw/zinc/11/87/51/287118751.db2.gz JWTHXWKGGCADOE-WDEREUQCSA-N 0 0 263.337 2.809 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC001278359261 782014158 /nfs/dbraw/zinc/01/41/58/782014158.db2.gz ZWTBHZXAJZOOIS-FPYGCLRLSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC000301824429 227693146 /nfs/dbraw/zinc/69/31/46/227693146.db2.gz NUCKKFSLOSCNCF-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCCOCC2)cc1F ZINC000374322475 260261588 /nfs/dbraw/zinc/26/15/88/260261588.db2.gz DNWSTCTVNPRWDO-UHFFFAOYSA-N 0 0 280.387 2.894 20 10 CFCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295361219 263176571 /nfs/dbraw/zinc/17/65/71/263176571.db2.gz NUWLXBUESCNEAS-LLVKDONJSA-N 0 0 286.778 2.711 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CC2(C1)CCCCC2 ZINC000296697719 263195863 /nfs/dbraw/zinc/19/58/63/263195863.db2.gz DRFWKPPSUBNKET-UHFFFAOYSA-N 0 0 279.311 2.643 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccccc2O)CCOc2ccccc21 ZINC000934935896 649858457 /nfs/dbraw/zinc/85/84/57/649858457.db2.gz NTBHNJQQGNBQMX-GOSISDBHSA-N 0 0 297.354 2.749 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1O ZINC000934941410 649859304 /nfs/dbraw/zinc/85/93/04/649859304.db2.gz XOJAYLQPOMIQCH-FPMFFAJLSA-N 0 0 289.375 2.843 20 10 CFCDRN C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134236 267147506 /nfs/dbraw/zinc/14/75/06/267147506.db2.gz LLPMLSGQUXHGMR-SWLSCSKDSA-N 0 0 294.826 2.962 20 10 CFCDRN CCc1cnccc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000368409193 267170298 /nfs/dbraw/zinc/17/02/98/267170298.db2.gz CFGQLCHYAZXTJI-UHFFFAOYSA-N 0 0 295.386 2.566 20 10 CFCDRN CC(C)CCC(=O)NCc1ccc2c(c1)CCN2C ZINC000369964950 267279333 /nfs/dbraw/zinc/27/93/33/267279333.db2.gz OUXQQPIJJMVFLI-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000370492278 267322774 /nfs/dbraw/zinc/32/27/74/267322774.db2.gz PUGHLASQWUYGIS-JQWIXIFHSA-N 0 0 261.321 2.503 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCOC1 ZINC000374298945 267776725 /nfs/dbraw/zinc/77/67/25/267776725.db2.gz XXOIBRFQFWTFLE-ZDUSSCGKSA-N 0 0 261.365 2.874 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)SC)c1 ZINC000273447808 277435550 /nfs/dbraw/zinc/43/55/50/277435550.db2.gz FLVYNACPRQGTFN-UWVGGRQHSA-N 0 0 283.393 2.581 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(C)(O)CC2)c1O ZINC000161200801 278243993 /nfs/dbraw/zinc/24/39/93/278243993.db2.gz GHFOXVLUUSCQIR-UHFFFAOYSA-N 0 0 297.782 2.595 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000282299400 278272869 /nfs/dbraw/zinc/27/28/69/278272869.db2.gz COXHYKTWWHHCQC-IINYFYTJSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)O ZINC000295127337 288081087 /nfs/dbraw/zinc/08/10/87/288081087.db2.gz ZLRGMTWHXFNRBF-KCJUWKMLSA-N 0 0 273.323 2.871 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000273496058 290014049 /nfs/dbraw/zinc/01/40/49/290014049.db2.gz PBLFQZZTJISEJK-TVQRCGJNSA-N 0 0 275.327 2.983 20 10 CFCDRN COC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191222740 293006179 /nfs/dbraw/zinc/00/61/79/293006179.db2.gz OAJATYLLLQPTIQ-BDAKNGLRSA-N 0 0 259.296 2.604 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000237886935 295352229 /nfs/dbraw/zinc/35/22/29/295352229.db2.gz HOXOMIZSMSMZHY-UHFFFAOYSA-N 0 0 272.392 2.994 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1cccnc1 ZINC000255677007 327003799 /nfs/dbraw/zinc/00/37/99/327003799.db2.gz VQNIEXQCRATCQI-SREVYHEPSA-N 0 0 267.332 2.851 20 10 CFCDRN COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCO2 ZINC000255770481 327014550 /nfs/dbraw/zinc/01/45/50/327014550.db2.gz JGYLIAMXRCFRON-DAXSKMNVSA-N 0 0 296.326 2.529 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000255872789 327023592 /nfs/dbraw/zinc/02/35/92/327023592.db2.gz JKPJJNMCQRQANU-BAQGIRSFSA-N 0 0 297.314 2.974 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000368095201 328935187 /nfs/dbraw/zinc/93/51/87/328935187.db2.gz WQQWNQQPRBZMLH-YOEHRIQHSA-N 0 0 289.375 2.557 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CNc1cc2n(n1)CCCC2 ZINC000368609478 328939100 /nfs/dbraw/zinc/93/91/00/328939100.db2.gz YNOJDVLHEZJVHN-UHFFFAOYSA-N 0 0 295.745 2.752 20 10 CFCDRN COCCOCCOc1ccc2c(c1)c(C)c(C)n2C ZINC000421196000 329807282 /nfs/dbraw/zinc/80/72/82/329807282.db2.gz IQXFLGIYMVBLOY-UHFFFAOYSA-N 0 0 277.364 2.837 20 10 CFCDRN CCn1ncc(CN[C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000527924554 330296413 /nfs/dbraw/zinc/29/64/13/330296413.db2.gz QIPHKHWPJJTHES-SNVBAGLBSA-N 0 0 294.786 2.816 20 10 CFCDRN CC[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(F)cc1[O-] ZINC000527979713 330298142 /nfs/dbraw/zinc/29/81/42/330298142.db2.gz KYQBTMSKBMMNFV-IQYSWEBNSA-N 0 0 265.328 2.751 20 10 CFCDRN C[C@H]([NH2+]CC1COC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000528028271 330305119 /nfs/dbraw/zinc/30/51/19/330305119.db2.gz VMJVGQOFJGRUGX-ZETCQYMHSA-N 0 0 276.163 2.996 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C=C/c1cnc(C)s1 ZINC000121391516 330399824 /nfs/dbraw/zinc/39/98/24/330399824.db2.gz OAAPFNLVYUMELC-VOTSOKGWSA-N 0 0 289.360 2.531 20 10 CFCDRN CCn1ccnc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000487559337 331974471 /nfs/dbraw/zinc/97/44/71/331974471.db2.gz KVQYKRJAIXNAKU-UHFFFAOYSA-N 0 0 296.374 2.633 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C\c1cnccn1 ZINC000491648367 332264167 /nfs/dbraw/zinc/26/41/67/332264167.db2.gz ZWUCTZKHACRKSF-ALCCZGGFSA-N 0 0 297.333 2.917 20 10 CFCDRN Cn1ccc(/C=C/C(=O)N2CCOCc3ccccc32)c1 ZINC000492000907 332378760 /nfs/dbraw/zinc/37/87/60/332378760.db2.gz MFUHESXJKVXWCW-VOTSOKGWSA-N 0 0 282.343 2.602 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492013797 332379411 /nfs/dbraw/zinc/37/94/11/332379411.db2.gz FYCWAXHXNSBMHF-MDZDMXLPSA-N 0 0 297.314 2.974 20 10 CFCDRN CC1(C)CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 ZINC000492231791 332388371 /nfs/dbraw/zinc/38/83/71/332388371.db2.gz LZGFWXGDWISGIW-FPLPWBNLSA-N 0 0 295.342 2.694 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccnc2N(C)C)cn1 ZINC000492466044 332398889 /nfs/dbraw/zinc/39/88/89/332398889.db2.gz ANLFBIKJJMOFFZ-MDZDMXLPSA-N 0 0 296.374 2.527 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492563580 332403370 /nfs/dbraw/zinc/40/33/70/332403370.db2.gz JCZWSCBIHKPTLP-BQYQJAHWSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2cnccc2C)cn1 ZINC000492584732 332404375 /nfs/dbraw/zinc/40/43/75/332404375.db2.gz BVZGGJFAAXVNSO-SREVYHEPSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2c1cc(F)cc2F ZINC000192614842 333237087 /nfs/dbraw/zinc/23/70/87/333237087.db2.gz CEUZAMDEHPQDDR-ONEGZZNKSA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1occc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173206790 335129642 /nfs/dbraw/zinc/12/96/42/335129642.db2.gz KACOIMHRNJDIDC-UHFFFAOYSA-N 0 0 286.331 2.693 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC12CC2 ZINC000528994443 333468053 /nfs/dbraw/zinc/46/80/53/333468053.db2.gz BWMCPKTVZIHWMS-DGCLKSJQSA-N 0 0 289.375 2.725 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)NCc2ccc3cccnc3c2O)[C@@H]1C1CC1 ZINC000529501710 333491190 /nfs/dbraw/zinc/49/11/90/333491190.db2.gz NMRFEYOCHMAVMJ-NZVBXONLSA-N 0 0 296.370 2.849 20 10 CFCDRN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529646472 333503475 /nfs/dbraw/zinc/50/34/75/333503475.db2.gz ZUACDEWZTNBODX-OTYXRUKQSA-N 0 0 285.746 2.842 20 10 CFCDRN CCO[C@@H](CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000547772499 334116862 /nfs/dbraw/zinc/11/68/62/334116862.db2.gz XNPXIMRZUBHKDO-INIZCTEOSA-N 0 0 288.391 2.918 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3ccccc32)c1 ZINC000255004472 334499143 /nfs/dbraw/zinc/49/91/43/334499143.db2.gz PQXIWRAPKCLPSX-SREVYHEPSA-N 0 0 280.327 2.829 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286191202 518540965 /nfs/dbraw/zinc/54/09/65/518540965.db2.gz QUUOQMFYFBJZAC-ZPSXMKBBSA-N 0 0 267.344 2.899 20 10 CFCDRN CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000049740565 518622467 /nfs/dbraw/zinc/62/24/67/518622467.db2.gz AAQSJLWPVLGOOZ-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748055 519363050 /nfs/dbraw/zinc/36/30/50/519363050.db2.gz ATWNSSVQSSCKLB-CMPLNLGQSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)=CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276616357 519439823 /nfs/dbraw/zinc/43/98/23/519439823.db2.gz CYVZYEAAWRYJDJ-JTQLQIEISA-N 0 0 250.298 2.917 20 10 CFCDRN CC(C)Nc1ncccc1C(=O)N(C)Cc1ccccc1O ZINC000118775206 519741803 /nfs/dbraw/zinc/74/18/03/519741803.db2.gz LUGCVTGIOTVAKZ-UHFFFAOYSA-N 0 0 299.374 2.880 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2ccnn2C)cc1 ZINC000191590433 519780318 /nfs/dbraw/zinc/78/03/18/519780318.db2.gz OORSYNPQGGXDES-UHFFFAOYSA-N 0 0 259.353 2.844 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230664140 519793195 /nfs/dbraw/zinc/79/31/95/519793195.db2.gz NFAOOGXJJSVEBX-GXFFZTMASA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000080789449 519795939 /nfs/dbraw/zinc/79/59/39/519795939.db2.gz PLTLYKIHYDVNLW-LLVKDONJSA-N 0 0 278.179 2.806 20 10 CFCDRN CC(C)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000236604061 519824523 /nfs/dbraw/zinc/82/45/23/519824523.db2.gz GDSCONLWQHITJC-OAHLLOKOSA-N 0 0 260.381 2.848 20 10 CFCDRN CC(C)c1cc(NC(=O)NCc2ccccc2O)no1 ZINC000266336423 519833326 /nfs/dbraw/zinc/83/33/26/519833326.db2.gz AQQKLODPCLPZDK-UHFFFAOYSA-N 0 0 275.308 2.825 20 10 CFCDRN CCOCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179420 519898341 /nfs/dbraw/zinc/89/83/41/519898341.db2.gz PLWBRMIHZHYJFP-SECBINFHSA-N 0 0 259.296 2.748 20 10 CFCDRN CCCNC(=O)c1ccc(NCc2ccccc2O)nc1 ZINC000271677309 519900119 /nfs/dbraw/zinc/90/01/19/519900119.db2.gz YJYLOKYPGTZKKH-UHFFFAOYSA-N 0 0 285.347 2.539 20 10 CFCDRN CCCCCOCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000122210749 520233093 /nfs/dbraw/zinc/23/30/93/520233093.db2.gz WNGGLNVMPCYPKJ-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN CCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125738151 520434145 /nfs/dbraw/zinc/43/41/45/520434145.db2.gz QFJZZXQNKVKVSK-UHFFFAOYSA-N 0 0 253.342 2.949 20 10 CFCDRN CCCOc1cccc(CC(=O)NCc2ccc(N)cc2)c1 ZINC000297333132 520448921 /nfs/dbraw/zinc/44/89/21/520448921.db2.gz XVNRISAJKKNFDF-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncnc1 ZINC000282459775 520546854 /nfs/dbraw/zinc/54/68/54/520546854.db2.gz JRSPSLUTOGRKJV-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN CCC[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278909426 520686584 /nfs/dbraw/zinc/68/65/84/520686584.db2.gz SERCWQGMPPKBTO-LLVKDONJSA-N 0 0 282.340 2.977 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1 ZINC000366546291 520892429 /nfs/dbraw/zinc/89/24/29/520892429.db2.gz TUOVJMXNZFNRNL-CVEARBPZSA-N 0 0 260.381 2.506 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc[nH]c2)cc1 ZINC000171918922 520902963 /nfs/dbraw/zinc/90/29/63/520902963.db2.gz SALPAENGNPTXRO-UHFFFAOYSA-N 0 0 271.364 2.791 20 10 CFCDRN CCC[C@@](C)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000279771704 520907507 /nfs/dbraw/zinc/90/75/07/520907507.db2.gz DXOUKIUCPQDDPY-MRXNPFEDSA-N 0 0 279.380 2.973 20 10 CFCDRN CCCC[C@@H](CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000156619436 521018112 /nfs/dbraw/zinc/01/81/12/521018112.db2.gz OAPGURHZZRMVEB-CYBMUJFWSA-N 0 0 279.380 2.973 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N(C)C2CC2)cc1 ZINC000264899912 521025183 /nfs/dbraw/zinc/02/51/83/521025183.db2.gz HPBMUKRRGHLALC-UHFFFAOYSA-N 0 0 276.380 2.532 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)C(F)F)cc2)CC1 ZINC000194588180 521040367 /nfs/dbraw/zinc/04/03/67/521040367.db2.gz SSMULNOPSMUMSX-UHFFFAOYSA-N 0 0 282.334 2.804 20 10 CFCDRN CCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000075416908 521087514 /nfs/dbraw/zinc/08/75/14/521087514.db2.gz SSWBEALUDYAXNA-UHFFFAOYSA-N 0 0 286.169 2.913 20 10 CFCDRN CCN(CCOC(C)C)c1ccc(OC)c(OC)c1 ZINC000299265568 521125734 /nfs/dbraw/zinc/12/57/34/521125734.db2.gz HITKVIZXKKZHNL-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN CCOc1ccc(O)c(CN2C[C@H](O)Cc3ccccc32)c1 ZINC000279517023 521148646 /nfs/dbraw/zinc/14/86/46/521148646.db2.gz XWYPUWDXPCXPQM-OAHLLOKOSA-N 0 0 299.370 2.715 20 10 CFCDRN CCOC(=O)[C@H](C)N(Cc1cc(C)ccc1O)C1CC1 ZINC000191708680 521198339 /nfs/dbraw/zinc/19/83/39/521198339.db2.gz KVHOKAWDBSPEPA-LBPRGKRZSA-N 0 0 277.364 2.617 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(F)F ZINC000293170801 521314741 /nfs/dbraw/zinc/31/47/41/521314741.db2.gz GLQYFBSWSOVNPE-UHFFFAOYSA-N 0 0 270.323 2.756 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCO1 ZINC000269349347 521318750 /nfs/dbraw/zinc/31/87/50/521318750.db2.gz MHGMEIQOXMXFKK-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C1CC1 ZINC000279557731 521320083 /nfs/dbraw/zinc/32/00/83/521320083.db2.gz ONVUBXIGBFGKLT-MRXNPFEDSA-N 0 0 290.407 2.526 20 10 CFCDRN CCOc1ncccc1NCc1cc(OC)ccc1O ZINC000037025643 521626080 /nfs/dbraw/zinc/62/60/80/521626080.db2.gz USMVEMKGUZOLHP-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCOC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000188778227 521644447 /nfs/dbraw/zinc/64/44/47/521644447.db2.gz CEEYBAVLWUWCMI-UHFFFAOYSA-N 0 0 294.351 2.595 20 10 CFCDRN CCCN(Cc1cc(OC)c(OC)cc1O)CC(F)F ZINC000160057615 521682245 /nfs/dbraw/zinc/68/22/45/521682245.db2.gz WXSPYICQCDYDPI-UHFFFAOYSA-N 0 0 289.322 2.887 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)COC ZINC000163269395 521688447 /nfs/dbraw/zinc/68/84/47/521688447.db2.gz NCBCPVHFLBMQKC-CQSZACIVSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)n[nH]1 ZINC000263996609 521690116 /nfs/dbraw/zinc/69/01/16/521690116.db2.gz FHYPVZQKRVCARM-UHFFFAOYSA-N 0 0 287.363 2.730 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C=O)c[nH]1 ZINC000293386007 521690122 /nfs/dbraw/zinc/69/01/22/521690122.db2.gz NBMHGZMEKJXPCE-UHFFFAOYSA-N 0 0 286.331 2.585 20 10 CFCDRN CCS[C@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000226382152 521731967 /nfs/dbraw/zinc/73/19/67/521731967.db2.gz CMTVHSABFNPFOO-KGLIPLIRSA-N 0 0 278.421 2.602 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278328292 521868500 /nfs/dbraw/zinc/86/85/00/521868500.db2.gz ZALAHAZIMPDSOT-LBPRGKRZSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278143921 521872482 /nfs/dbraw/zinc/87/24/82/521872482.db2.gz BMODFCCDPDBINN-VIFPVBQESA-N 0 0 280.324 2.539 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC=C(C)C)c1 ZINC000276946952 522136545 /nfs/dbraw/zinc/13/65/45/522136545.db2.gz UWZLBOIAHRXKJA-LLVKDONJSA-N 0 0 263.337 2.796 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C)cc1 ZINC000263714113 522194601 /nfs/dbraw/zinc/19/46/01/522194601.db2.gz AFSLDDPHRIVYDG-UHFFFAOYSA-N 0 0 277.412 2.940 20 10 CFCDRN CN(C)c1ccc(CNc2cn(C)nc2C2CC2)cc1 ZINC000291350313 522216173 /nfs/dbraw/zinc/21/61/73/522216173.db2.gz XDBVPYQADZKJHM-UHFFFAOYSA-N 0 0 270.380 2.976 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCCCO1 ZINC000163183374 522255980 /nfs/dbraw/zinc/25/59/80/522255980.db2.gz KAYQHUCDGLXYIT-AWEZNQCLSA-N 0 0 276.380 2.521 20 10 CFCDRN COC(=O)c1ccoc1COc1ccc(N(C)C)cc1 ZINC000289410260 522303692 /nfs/dbraw/zinc/30/36/92/522303692.db2.gz PFPWPZCWODXHJM-UHFFFAOYSA-N 0 0 275.304 2.711 20 10 CFCDRN COC(=O)c1cnc(SCC(F)(F)F)s1 ZINC000295380959 522341142 /nfs/dbraw/zinc/34/11/42/522341142.db2.gz TZBXWCRIRPINAA-UHFFFAOYSA-N 0 0 257.258 2.584 20 10 CFCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2)CCCCC1 ZINC000184821024 522553359 /nfs/dbraw/zinc/55/33/59/522553359.db2.gz MVUXGEXBRDBBTF-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN COC1(C)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272397667 522569100 /nfs/dbraw/zinc/56/91/00/522569100.db2.gz WHQPORAKICVXBY-UHFFFAOYSA-N 0 0 253.317 2.532 20 10 CFCDRN CC[C@@H](NCc1nncn1CC)c1ccc(N(C)C)cc1 ZINC000158419448 522898133 /nfs/dbraw/zinc/89/81/33/522898133.db2.gz NSOSHZKCVCFGSX-OAHLLOKOSA-N 0 0 287.411 2.605 20 10 CFCDRN CCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC000291000133 523168104 /nfs/dbraw/zinc/16/81/04/523168104.db2.gz LYOZZZIAHAXFGR-UHFFFAOYSA-N 0 0 286.379 2.908 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC2(SC)CC2)cc1 ZINC000289375316 523224766 /nfs/dbraw/zinc/22/47/66/523224766.db2.gz ASVTZXKLAXQXHD-UHFFFAOYSA-N 0 0 295.404 2.570 20 10 CFCDRN COCc1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302361779 523284641 /nfs/dbraw/zinc/28/46/41/523284641.db2.gz FQRTUOAXJBNGDJ-SNVBAGLBSA-N 0 0 292.408 2.924 20 10 CFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)C)c2C)cc1 ZINC000070870800 523314934 /nfs/dbraw/zinc/31/49/34/523314934.db2.gz FFPJUNZUIBVWKR-UHFFFAOYSA-N 0 0 272.348 2.805 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1OCCc2ccccc21 ZINC000162618015 523385955 /nfs/dbraw/zinc/38/59/55/523385955.db2.gz VQTRTPGPPCOIAR-KRWDZBQOSA-N 0 0 297.354 2.665 20 10 CFCDRN COCCN(C/C=C/Cl)c1ccc(OC)c(OC)c1 ZINC000135251715 523639064 /nfs/dbraw/zinc/63/90/64/523639064.db2.gz MKQHKPVNDFGIII-QPJJXVBHSA-N 0 0 285.771 2.909 20 10 CFCDRN CC[C@@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193106901 523706787 /nfs/dbraw/zinc/70/67/87/523706787.db2.gz WDSLCPREBLFGPN-HNNXBMFYSA-N 0 0 263.337 2.750 20 10 CFCDRN CN1CCCc2cc(CNC(=O)CCC3CC3)ccc21 ZINC000115048071 523858937 /nfs/dbraw/zinc/85/89/37/523858937.db2.gz CAEUMLPHHOCXSO-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN CN(C)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000294733136 524037089 /nfs/dbraw/zinc/03/70/89/524037089.db2.gz QDSSRBLOXLOJRP-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCCO2)cc1F ZINC000189545411 524353785 /nfs/dbraw/zinc/35/37/85/524353785.db2.gz HUZFESJUCBUUAE-GFCCVEGCSA-N 0 0 253.317 2.840 20 10 CFCDRN COc1ccc(N(CCn2cccn2)C(C)C)cc1F ZINC000170653282 524366373 /nfs/dbraw/zinc/36/63/73/524366373.db2.gz HYGCITOUSKNPLI-UHFFFAOYSA-N 0 0 277.343 2.946 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(F)F ZINC000292791115 524447626 /nfs/dbraw/zinc/44/76/26/524447626.db2.gz UFZRJGRJBKLROH-GFAPAMAISA-N 0 0 297.301 2.615 20 10 CFCDRN C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000277531707 524732305 /nfs/dbraw/zinc/73/23/05/524732305.db2.gz PXOPCVYQFSGKFW-JOYOIKCWSA-N 0 0 255.745 2.560 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ncccc2[N+](=O)[O-])c1 ZINC000301193214 524770138 /nfs/dbraw/zinc/77/01/38/524770138.db2.gz MPYWEBPLHISPLE-SECBINFHSA-N 0 0 289.291 2.877 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC1(C)C ZINC000274927819 524892855 /nfs/dbraw/zinc/89/28/55/524892855.db2.gz MRPMLBLNQXQWHN-AAEUAGOBSA-N 0 0 291.391 2.971 20 10 CFCDRN COc1cncc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000290514079 524920783 /nfs/dbraw/zinc/92/07/83/524920783.db2.gz YPVMGMRSOATLSI-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN Cc1ccccc1OCCCNC(=O)Cc1ccc(N)cc1 ZINC000155473771 525289002 /nfs/dbraw/zinc/28/90/02/525289002.db2.gz KBEGMJCJRIZOOG-UHFFFAOYSA-N 0 0 298.386 2.705 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)cc1[O-] ZINC000062745022 525309419 /nfs/dbraw/zinc/30/94/19/525309419.db2.gz LLZQIPOHDQDMLT-JTQLQIEISA-N 0 0 254.349 2.522 20 10 CFCDRN CSC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000194638177 525311608 /nfs/dbraw/zinc/31/16/08/525311608.db2.gz ATITXCLMBRAPIG-GQCTYLIASA-N 0 0 293.388 2.513 20 10 CFCDRN C[C@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1[O-] ZINC000062747666 525370193 /nfs/dbraw/zinc/37/01/93/525370193.db2.gz CZSZWGWUNAQALQ-NSHDSACASA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276925932 525401821 /nfs/dbraw/zinc/40/18/21/525401821.db2.gz NHYNQYFSFZTMAU-UPONEAKYSA-N 0 0 299.239 2.634 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062745189 525439095 /nfs/dbraw/zinc/43/90/95/525439095.db2.gz LIRSFIITBSIIAS-TZMCWYRMSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000224919640 525442701 /nfs/dbraw/zinc/44/27/01/525442701.db2.gz YNWAQQAEIJYVKC-MWLCHTKSSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]([NH2+]CCc1cccnc1)c1ccc(F)cc1[O-] ZINC000062747667 525464588 /nfs/dbraw/zinc/46/45/88/525464588.db2.gz CZSZWGWUNAQALQ-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C)CO ZINC000077422456 525513184 /nfs/dbraw/zinc/51/31/84/525513184.db2.gz NBTRTZHXHHKJBE-HTQZYQBOSA-N 0 0 278.179 2.806 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc([C@H](C)O)s1 ZINC000283852712 525531251 /nfs/dbraw/zinc/53/12/51/525531251.db2.gz DLDJQAWUMTUDGV-JTQLQIEISA-N 0 0 290.388 2.768 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000281228602 525539862 /nfs/dbraw/zinc/53/98/62/525539862.db2.gz UOTQNIXMLRZRAB-GXFFZTMASA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000277004673 525557195 /nfs/dbraw/zinc/55/71/95/525557195.db2.gz ZZPMHPJFSGNOSS-DTWKUNHWSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(F)c(F)c1[O-] ZINC000276908158 525620067 /nfs/dbraw/zinc/62/00/67/525620067.db2.gz KGJCCSXYFNNTPC-JGVFFNPUSA-N 0 0 267.279 2.805 20 10 CFCDRN Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000265821614 525695468 /nfs/dbraw/zinc/69/54/68/525695468.db2.gz IJDMTDSYOSIYHO-UHFFFAOYSA-N 0 0 266.348 2.773 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000068488562 525976332 /nfs/dbraw/zinc/97/63/32/525976332.db2.gz NUUOUISQUPSIIZ-OUCADQQQSA-N 0 0 289.375 2.843 20 10 CFCDRN Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccccc1 ZINC000075238454 526265392 /nfs/dbraw/zinc/26/53/92/526265392.db2.gz OACAUYURXQRSML-UHFFFAOYSA-N 0 0 286.375 2.595 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000272512762 526329309 /nfs/dbraw/zinc/32/93/09/526329309.db2.gz XBTBETGVGQWFHC-UHFFFAOYSA-N 0 0 265.328 2.534 20 10 CFCDRN Oc1ccc(Br)cc1CNCC(F)F ZINC000236615510 526341018 /nfs/dbraw/zinc/34/10/18/526341018.db2.gz PIWVMPQRLXIJBO-UHFFFAOYSA-N 0 0 266.085 2.509 20 10 CFCDRN Cc1csc(CN2CCOc3cc(N(C)C)ccc32)n1 ZINC000163186090 526343170 /nfs/dbraw/zinc/34/31/70/526343170.db2.gz DNDUYINDJZPMDR-UHFFFAOYSA-N 0 0 289.404 2.917 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000191076683 526345978 /nfs/dbraw/zinc/34/59/78/526345978.db2.gz ZVNBATHHNFSHLO-XXFPWJFMSA-N 0 0 271.719 2.594 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000365158671 526347383 /nfs/dbraw/zinc/34/73/83/526347383.db2.gz SXJDENCYXJRVSU-DYLAAIIWSA-N 0 0 285.746 2.842 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365156048 526347701 /nfs/dbraw/zinc/34/77/01/526347701.db2.gz LGKCVCZOBCAFID-FZMZJTMJSA-N 0 0 285.746 2.842 20 10 CFCDRN Oc1ccc(F)cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000289612273 526349558 /nfs/dbraw/zinc/34/95/58/526349558.db2.gz VWQGDGXMYBIDAB-AWEZNQCLSA-N 0 0 275.327 2.982 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccco1 ZINC000075159785 526636523 /nfs/dbraw/zinc/63/65/23/526636523.db2.gz DALVINUPVIPHFY-UHFFFAOYSA-N 0 0 271.316 2.794 20 10 CFCDRN Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)o1 ZINC000293096909 526651305 /nfs/dbraw/zinc/65/13/05/526651305.db2.gz SKEGJSXVTUTOSW-UHFFFAOYSA-N 0 0 299.374 2.604 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cn1 ZINC000184145956 526680321 /nfs/dbraw/zinc/68/03/21/526680321.db2.gz PCWDAWIFGZRXKK-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC(F)(F)C1 ZINC000281907585 526686954 /nfs/dbraw/zinc/68/69/54/526686954.db2.gz AQILEGHRVZSFOP-JTQLQIEISA-N 0 0 285.290 2.540 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000266510062 526755758 /nfs/dbraw/zinc/75/57/58/526755758.db2.gz MAJATUMFURANGS-CVEARBPZSA-N 0 0 296.370 2.823 20 10 CFCDRN Cc1nccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000361152741 527344201 /nfs/dbraw/zinc/34/42/01/527344201.db2.gz YZRFIWWVMFMTRK-UHFFFAOYSA-N 0 0 291.358 2.955 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCSC(F)(F)F)c1 ZINC000171128324 527368930 /nfs/dbraw/zinc/36/89/30/527368930.db2.gz USLPTIQNNNDWTC-UHFFFAOYSA-N 0 0 296.270 2.643 20 10 CFCDRN Nc1ccc(CC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000082699622 527477064 /nfs/dbraw/zinc/47/70/64/527477064.db2.gz MXXBKDXZQXCDTH-UHFFFAOYSA-N 0 0 280.371 2.659 20 10 CFCDRN Nc1ccc(CCNC(=O)C2CCCCCC2)cc1 ZINC000053713266 527478958 /nfs/dbraw/zinc/47/89/58/527478958.db2.gz DCBMOUWJVGOZNZ-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCCCCO ZINC000224952293 527535489 /nfs/dbraw/zinc/53/54/89/527535489.db2.gz SPOCIELFLGXEQY-UHFFFAOYSA-N 0 0 257.761 2.688 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291843916 527611766 /nfs/dbraw/zinc/61/17/66/527611766.db2.gz FCGALLGBVDPFKI-OPQSBORISA-N 0 0 299.370 2.902 20 10 CFCDRN Cn1nncc1CSc1ncc(C(C)(C)C)s1 ZINC000289309570 527653730 /nfs/dbraw/zinc/65/37/30/527653730.db2.gz DWNNVLAPRNPQIL-UHFFFAOYSA-N 0 0 268.411 2.861 20 10 CFCDRN CCOc1cncc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000301676503 528770806 /nfs/dbraw/zinc/77/08/06/528770806.db2.gz CNLYNJLTSWRXML-UHFFFAOYSA-N 0 0 290.342 2.693 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC=CCC1 ZINC000935309495 649896609 /nfs/dbraw/zinc/89/66/09/649896609.db2.gz CIYYUNBUMHWKKF-OLZOCXBDSA-N 0 0 289.375 2.891 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1(C)CC1 ZINC000935311999 649897085 /nfs/dbraw/zinc/89/70/85/649897085.db2.gz UPGAAFPIWKGDAU-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CC(F)(F)C2)c1 ZINC000754013934 574063638 /nfs/dbraw/zinc/06/36/38/574063638.db2.gz JRZUHKVPDQVLNH-QMMMGPOBSA-N 0 0 285.290 2.623 20 10 CFCDRN O=C(OCCF)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000744473444 574076575 /nfs/dbraw/zinc/07/65/75/574076575.db2.gz FGHUYOVDWITPSN-UHFFFAOYSA-N 0 0 298.269 2.588 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)CSC)cc1 ZINC000728223249 574087414 /nfs/dbraw/zinc/08/74/14/574087414.db2.gz XMAKVQDUBKEJNN-UHFFFAOYSA-N 0 0 280.437 2.854 20 10 CFCDRN CCC[C@@](C)([NH2+]Cc1cc(C)c(C)cc1O)C(=O)[O-] ZINC000736962912 574087837 /nfs/dbraw/zinc/08/78/37/574087837.db2.gz QHDOGKZIAKTTQW-OAHLLOKOSA-N 0 0 265.353 2.742 20 10 CFCDRN CC[N@H+](CC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC000737076141 574108889 /nfs/dbraw/zinc/10/88/89/574108889.db2.gz XGZLRLBBAXMTGY-UHFFFAOYSA-N 0 0 279.380 2.905 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=S)NCC(C)C)c1 ZINC000728793694 574110634 /nfs/dbraw/zinc/11/06/34/574110634.db2.gz VGNOUTRVIJUXDI-SNVBAGLBSA-N 0 0 282.409 2.582 20 10 CFCDRN CC[N@H+](CCC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1O ZINC000737096072 574110999 /nfs/dbraw/zinc/11/09/99/574110999.db2.gz KCKBDZALIXRXFW-UHFFFAOYSA-N 0 0 295.379 2.692 20 10 CFCDRN Cc1cc(C)c(O)c(CN2CCC[C@@H]2c2ncon2)c1 ZINC000754729997 574117418 /nfs/dbraw/zinc/11/74/18/574117418.db2.gz JRKCIUQFKSPJLP-CYBMUJFWSA-N 0 0 273.336 2.729 20 10 CFCDRN CCOc1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)c(O)c1 ZINC000737204804 574118553 /nfs/dbraw/zinc/11/85/53/574118553.db2.gz XRLUAGJWGSPQOJ-UHFFFAOYSA-N 0 0 293.363 2.524 20 10 CFCDRN O=C(OCC[C@@H]1CCCCO1)C1=CC(=O)CS1 ZINC000754814944 574122503 /nfs/dbraw/zinc/12/25/03/574122503.db2.gz HWFOTMIDTMDJEF-JTQLQIEISA-N 0 0 256.323 2.570 20 10 CFCDRN CCO[C@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)C1(C)C ZINC000754905149 574127529 /nfs/dbraw/zinc/12/75/29/574127529.db2.gz CWQLMUJSFIQFEY-RYUDHWBXSA-N 0 0 283.393 2.729 20 10 CFCDRN c1ccn(-c2ccc(-c3nc(-c4ncccn4)no3)cc2)c1 ZINC000731794818 574129189 /nfs/dbraw/zinc/12/91/89/574129189.db2.gz RNHDHGHXISIENM-UHFFFAOYSA-N 0 0 289.298 2.984 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756789856 574130052 /nfs/dbraw/zinc/13/00/52/574130052.db2.gz IFWNMPWEMDOOSK-GXSJLCMTSA-N 0 0 271.307 2.890 20 10 CFCDRN CC(C)(C)CCN1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731869998 574131314 /nfs/dbraw/zinc/13/13/14/574131314.db2.gz GRBOVGAANOCBLR-UHFFFAOYSA-N 0 0 296.436 2.648 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C1=CC(=O)CS1 ZINC000731870225 574131428 /nfs/dbraw/zinc/13/14/28/574131428.db2.gz VNIFANXQKKWLDC-PWSUYJOCSA-N 0 0 283.393 2.779 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nc2ccccc2[nH]1 ZINC000731868330 574132645 /nfs/dbraw/zinc/13/26/45/574132645.db2.gz CMSVKWHZBHWELV-MRVPVSSYSA-N 0 0 287.344 2.821 20 10 CFCDRN COCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000731868377 574132767 /nfs/dbraw/zinc/13/27/67/574132767.db2.gz FPCNPZVSTVZGOQ-UHFFFAOYSA-N 0 0 263.318 2.852 20 10 CFCDRN CCCN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000746089910 574133521 /nfs/dbraw/zinc/13/35/21/574133521.db2.gz BQNGDUZGYWXICT-VURMDHGXSA-N 0 0 278.308 2.627 20 10 CFCDRN CCN(C)C(=O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000746170440 574138972 /nfs/dbraw/zinc/13/89/72/574138972.db2.gz STQRSHNZTGPYAS-UHFFFAOYSA-N 0 0 278.396 2.636 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC=CCC2)c1 ZINC000728980349 574143132 /nfs/dbraw/zinc/14/31/32/574143132.db2.gz CHLSPCLDBHCVMT-NEPJUHHUSA-N 0 0 275.348 2.934 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCOCC(C)C)c1 ZINC000728979144 574143336 /nfs/dbraw/zinc/14/33/36/574143336.db2.gz YNVYLTMZNLNEDY-LBPRGKRZSA-N 0 0 295.379 2.641 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC=CCC2)c1 ZINC000728980351 574143355 /nfs/dbraw/zinc/14/33/55/574143355.db2.gz CHLSPCLDBHCVMT-RYUDHWBXSA-N 0 0 275.348 2.934 20 10 CFCDRN C/C=C\C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000737819184 574144589 /nfs/dbraw/zinc/14/45/89/574144589.db2.gz QADPTDYKQARATD-KXFIGUGUSA-N 0 0 258.365 2.869 20 10 CFCDRN CC(C)Oc1cccc(C(=O)NCc2ccccc2O)n1 ZINC000755178128 574144668 /nfs/dbraw/zinc/14/46/68/574144668.db2.gz FXCZVYCBZBPALE-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN Cc1ccc(OC[C@@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000732278397 574147844 /nfs/dbraw/zinc/14/78/44/574147844.db2.gz LAZPPKJWXOSUOV-LLVKDONJSA-N 0 0 291.372 2.959 20 10 CFCDRN Cc1ccc(OCCNC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000746403958 574147879 /nfs/dbraw/zinc/14/78/79/574147879.db2.gz XUINXILXOCAEBE-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)C1=CC(=O)CS1 ZINC000732278416 574147957 /nfs/dbraw/zinc/14/79/57/574147957.db2.gz MDZAACWCRLSVOE-NWDGAFQWSA-N 0 0 277.320 2.879 20 10 CFCDRN CC(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732266850 574148048 /nfs/dbraw/zinc/14/80/48/574148048.db2.gz OBIZPHKLDGYXRO-UHFFFAOYSA-N 0 0 261.302 2.909 20 10 CFCDRN Cc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2[nH]1 ZINC000732264102 574148293 /nfs/dbraw/zinc/14/82/93/574148293.db2.gz OQFPFILISNRVOE-UHFFFAOYSA-N 0 0 273.317 2.891 20 10 CFCDRN CCc1nc([C@@H](C)NC(=O)C2=CC(=O)CS2)cs1 ZINC000732302219 574149525 /nfs/dbraw/zinc/14/95/25/574149525.db2.gz DORMCZDPFKUQHC-SSDOTTSWSA-N 0 0 282.390 2.964 20 10 CFCDRN COCc1cc(CNC(=O)C2=CC(=O)CS2)ccc1F ZINC000732290151 574150620 /nfs/dbraw/zinc/15/06/20/574150620.db2.gz QQQHAGXJZQVIAN-UHFFFAOYSA-N 0 0 295.335 2.669 20 10 CFCDRN COc1ccc(C2(NC(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000732291048 574150784 /nfs/dbraw/zinc/15/07/84/574150784.db2.gz NYCUZGHMKUCMDZ-UHFFFAOYSA-N 0 0 289.356 2.881 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2n[nH]cc2c1 ZINC000746685983 574162797 /nfs/dbraw/zinc/16/27/97/574162797.db2.gz BPKPGACMILLRHG-UHFFFAOYSA-N 0 0 281.315 2.541 20 10 CFCDRN CCOC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000738299815 574163455 /nfs/dbraw/zinc/16/34/55/574163455.db2.gz QQKGRGCKRPRASP-CQSZACIVSA-N 0 0 292.423 2.916 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccco2)cc1F ZINC000746798340 574166146 /nfs/dbraw/zinc/16/61/46/574166146.db2.gz VLQIIYQQAMOBRF-VURMDHGXSA-N 0 0 288.322 2.814 20 10 CFCDRN COc1cccc(C[C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000733002983 574182684 /nfs/dbraw/zinc/18/26/84/574182684.db2.gz QIUPQWRQLBSVHD-JTQLQIEISA-N 0 0 291.372 2.823 20 10 CFCDRN COc1ccccc1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000729327929 574198672 /nfs/dbraw/zinc/19/86/72/574198672.db2.gz CXTQHCULZNOCML-FPLPWBNLSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000747878219 574217126 /nfs/dbraw/zinc/21/71/26/574217126.db2.gz YDXZCCQGHPMXLV-SNAWJCMRSA-N 0 0 275.283 2.502 20 10 CFCDRN CCOc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000739622692 574220911 /nfs/dbraw/zinc/22/09/11/574220911.db2.gz XGUFUGHFCZYCJM-RUDMXATFSA-N 0 0 283.331 2.552 20 10 CFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)n1cccc1 ZINC000729521921 574222222 /nfs/dbraw/zinc/22/22/22/574222222.db2.gz KARMFEZLQNSKGZ-CYBMUJFWSA-N 0 0 272.348 2.803 20 10 CFCDRN CCOc1ccc(N(C)Cc2nnc3n2CCCC3)cc1 ZINC000739924353 574229688 /nfs/dbraw/zinc/22/96/88/574229688.db2.gz QMVQFCITQJZIJO-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN CCOc1nnc(CN(C)c2ccc(OCC)cc2)s1 ZINC000739927254 574229746 /nfs/dbraw/zinc/22/97/46/574229746.db2.gz SCUGIBLVRNRCDC-UHFFFAOYSA-N 0 0 293.392 2.972 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccccc1O ZINC000748159282 574233447 /nfs/dbraw/zinc/23/34/47/574233447.db2.gz VHHBEEGPTHNDQG-DGCLKSJQSA-N 0 0 278.421 2.935 20 10 CFCDRN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756404254 574234170 /nfs/dbraw/zinc/23/41/70/574234170.db2.gz SIJITQLLEAVRLK-NXEZZACHSA-N 0 0 281.306 2.606 20 10 CFCDRN CCOc1ccc(CNC(C)(C)c2noc(C)n2)c(O)c1 ZINC000729854947 574234300 /nfs/dbraw/zinc/23/43/00/574234300.db2.gz KUKNQSUUMQRLOH-UHFFFAOYSA-N 0 0 291.351 2.507 20 10 CFCDRN C[C@H]([NH2+]C1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756433457 574236381 /nfs/dbraw/zinc/23/63/81/574236381.db2.gz NYCPCRJVWIEPDL-QMMMGPOBSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756431813 574236397 /nfs/dbraw/zinc/23/63/97/574236397.db2.gz FXHDXEXDLAROCT-XPTSAGLGSA-N 0 0 284.350 2.661 20 10 CFCDRN C[C@@H]([NH2+]Cc1nccs1)c1cc(F)cc(F)c1[O-] ZINC000756444788 574238216 /nfs/dbraw/zinc/23/82/16/574238216.db2.gz WTWWBLRERMDBQK-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN O=C([O-])c1ccc(C[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000740133097 574238919 /nfs/dbraw/zinc/23/89/19/574238919.db2.gz VFSKEBCCJSBIFP-UHFFFAOYSA-N 0 0 281.695 2.627 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756513262 574242762 /nfs/dbraw/zinc/24/27/62/574242762.db2.gz GNVAOBJCGGWBNN-QMMMGPOBSA-N 0 0 295.333 2.872 20 10 CFCDRN O=C(NCc1ccc(F)cc1)NCc1ccccc1O ZINC000748324720 574247281 /nfs/dbraw/zinc/24/72/81/574247281.db2.gz HGDFSISTGGCWRZ-UHFFFAOYSA-N 0 0 274.295 2.531 20 10 CFCDRN O=C(NCCc1ccc(F)cc1)NCc1ccccc1O ZINC000748324449 574247399 /nfs/dbraw/zinc/24/73/99/574247399.db2.gz DQAHXFUNRGQDGK-UHFFFAOYSA-N 0 0 288.322 2.573 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756557900 574247670 /nfs/dbraw/zinc/24/76/70/574247670.db2.gz XSKAYSDOUGPFNP-WPRPVWTQSA-N 0 0 257.280 2.500 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(-c2cnco2)cc1 ZINC000748345503 574247653 /nfs/dbraw/zinc/24/76/53/574247653.db2.gz MHTCXUMEZSHCLE-UHFFFAOYSA-N 0 0 294.310 2.977 20 10 CFCDRN CCO[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000748345960 574247736 /nfs/dbraw/zinc/24/77/36/574247736.db2.gz HXRCWLKGTBIGEW-INIZCTEOSA-N 0 0 285.343 2.786 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756570802 574248652 /nfs/dbraw/zinc/24/86/52/574248652.db2.gz BLEWBLHIVLNVAT-MWODSPESSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756577641 574249873 /nfs/dbraw/zinc/24/98/73/574249873.db2.gz ZNVGOHMBGMRKIH-OTYXRUKQSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756611914 574251974 /nfs/dbraw/zinc/25/19/74/574251974.db2.gz KFQWBZZOSWJGJB-SCVCMEIPSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756637693 574253882 /nfs/dbraw/zinc/25/38/82/574253882.db2.gz OPGPMCUCBHSUPV-VIFPVBQESA-N 0 0 266.291 2.860 20 10 CFCDRN Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC000748462250 574253987 /nfs/dbraw/zinc/25/39/87/574253987.db2.gz DCCVTXRKOMHVAK-UHFFFAOYSA-N 0 0 270.332 2.700 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756639555 574254707 /nfs/dbraw/zinc/25/47/07/574254707.db2.gz ARXWQAJVUVUNJH-SCVCMEIPSA-N 0 0 296.361 2.946 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756647170 574255013 /nfs/dbraw/zinc/25/50/13/574255013.db2.gz QYKFBENUCKRGHH-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648898 574255174 /nfs/dbraw/zinc/25/51/74/574255174.db2.gz ALWYIRCMMKXLJV-GXSJLCMTSA-N 0 0 282.365 2.847 20 10 CFCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1 ZINC000733806498 574256671 /nfs/dbraw/zinc/25/66/71/574256671.db2.gz FCVMLCFBOVPUQN-JTQLQIEISA-N 0 0 277.345 2.651 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756710241 574258150 /nfs/dbraw/zinc/25/81/50/574258150.db2.gz AKXHYYUGRDFELW-NXEZZACHSA-N 0 0 264.325 2.997 20 10 CFCDRN CCc1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1 ZINC000748564028 574258163 /nfs/dbraw/zinc/25/81/63/574258163.db2.gz MTFJDGIMUBPEHX-UHFFFAOYSA-N 0 0 290.388 2.992 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000733847640 574258493 /nfs/dbraw/zinc/25/84/93/574258493.db2.gz GNNCIVGOZREDLU-SECBINFHSA-N 0 0 289.335 2.557 20 10 CFCDRN C[C@H]([NH2+]CC1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737674 574260262 /nfs/dbraw/zinc/26/02/62/574260262.db2.gz XJVWFOUONYRPCY-VIFPVBQESA-N 0 0 250.298 2.751 20 10 CFCDRN O=C(NCCCSc1nccs1)c1ccco1 ZINC000733884444 574260319 /nfs/dbraw/zinc/26/03/19/574260319.db2.gz UNMJAHWAUHIBRF-UHFFFAOYSA-N 0 0 268.363 2.648 20 10 CFCDRN C[C@H]([NH2+]Cc1ccn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000756780178 574262426 /nfs/dbraw/zinc/26/24/26/574262426.db2.gz WBPCSRXLMOXHPA-LBPRGKRZSA-N 0 0 285.391 2.855 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cncs1 ZINC000733974697 574266474 /nfs/dbraw/zinc/26/64/74/574266474.db2.gz JQMIKEVVUSTHBZ-UHFFFAOYSA-N 0 0 285.419 2.512 20 10 CFCDRN COc1ccc(N[C@H](C)c2cc(OC)ccc2O)nc1 ZINC000756846737 574267965 /nfs/dbraw/zinc/26/79/65/574267965.db2.gz YGAFPYICAIPTNR-SNVBAGLBSA-N 0 0 274.320 2.978 20 10 CFCDRN Cc1nonc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000734145875 574274438 /nfs/dbraw/zinc/27/44/38/574274438.db2.gz CYYAOMIUMMBLBD-UHFFFAOYSA-N 0 0 295.289 2.932 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=S)NC(C)(C)C ZINC000734387148 574286156 /nfs/dbraw/zinc/28/61/56/574286156.db2.gz XRPOLYGLUAINLN-UHFFFAOYSA-N 0 0 279.453 2.824 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)C(C)(C)C)c1 ZINC000734670941 574298166 /nfs/dbraw/zinc/29/81/66/574298166.db2.gz MPZVHRNQUIOGBO-LLVKDONJSA-N 0 0 294.395 2.882 20 10 CFCDRN CC[C@H](C)NC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC000749762447 574307605 /nfs/dbraw/zinc/30/76/05/574307605.db2.gz KUXXAUMWFCVNCP-LBPRGKRZSA-N 0 0 279.453 2.857 20 10 CFCDRN CC(C)(C)OC(=O)N1CC(Sc2nccs2)C1 ZINC000742205397 574318765 /nfs/dbraw/zinc/31/87/65/574318765.db2.gz AUVUVQHXGCUZHG-UHFFFAOYSA-N 0 0 272.395 2.855 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000735330311 574321082 /nfs/dbraw/zinc/32/10/82/574321082.db2.gz HVRTUVXSEMEZAV-WCBMZHEXSA-N 0 0 271.407 2.858 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CCC2)c1 ZINC000750235698 574331186 /nfs/dbraw/zinc/33/11/86/574331186.db2.gz JWQDVILWGJWYRQ-SNVBAGLBSA-N 0 0 263.337 2.768 20 10 CFCDRN Cn1cccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742476217 574332028 /nfs/dbraw/zinc/33/20/28/574332028.db2.gz OIEBVJGYHUUVOG-UHFFFAOYSA-N 0 0 297.402 2.945 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)COC ZINC000755761471 574332468 /nfs/dbraw/zinc/33/24/68/574332468.db2.gz CTRYWTKLDVYWBW-ZDUSSCGKSA-N 0 0 279.380 2.803 20 10 CFCDRN O=C(NCCCc1ccc(O)cc1)C1=CC(=O)CS1 ZINC000735702949 574333760 /nfs/dbraw/zinc/33/37/60/574333760.db2.gz UAISBIXWWYYEGH-UHFFFAOYSA-N 0 0 277.345 2.522 20 10 CFCDRN Cc1cc(C(=O)COC(=O)C2=CC(=O)CS2)ccc1F ZINC000750347126 574334571 /nfs/dbraw/zinc/33/45/71/574334571.db2.gz JKQSNZWEWMSVOL-UHFFFAOYSA-N 0 0 294.303 2.941 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nnc(C2CC2)o1 ZINC000744384673 574334815 /nfs/dbraw/zinc/33/48/15/574334815.db2.gz OBJYSTNTOXVXCQ-UHFFFAOYSA-N 0 0 285.347 2.908 20 10 CFCDRN C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000742951946 574348361 /nfs/dbraw/zinc/34/83/61/574348361.db2.gz CBZFLRBIWYIPKF-GFCCVEGCSA-N 0 0 288.391 2.914 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnccc2C)c1 ZINC000743335981 574358729 /nfs/dbraw/zinc/35/87/29/574358729.db2.gz DXIALFSGGNGKMO-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN CCO[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000743630452 574369793 /nfs/dbraw/zinc/36/97/93/574369793.db2.gz TWHXBYNUGJZGQM-NWDGAFQWSA-N 0 0 281.377 2.531 20 10 CFCDRN CC(C)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000743712586 574371052 /nfs/dbraw/zinc/37/10/52/574371052.db2.gz VATVVDSXGQNDIF-UHFFFAOYSA-N 0 0 253.367 2.962 20 10 CFCDRN Cc1ccc(O[C@H](C)CNC(=O)C2=CC(=O)CS2)cc1 ZINC000743720163 574371234 /nfs/dbraw/zinc/37/12/34/574371234.db2.gz STRASPZJQJAVTQ-LLVKDONJSA-N 0 0 291.372 2.959 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccccc1F ZINC000743720888 574371300 /nfs/dbraw/zinc/37/13/00/574371300.db2.gz DTBHHDYYWRMMOZ-SECBINFHSA-N 0 0 295.335 2.790 20 10 CFCDRN CN(CCc1cccs1)C(=O)C1=CC(=O)CS1 ZINC000743753949 574371606 /nfs/dbraw/zinc/37/16/06/574371606.db2.gz VNTPVJMYLCNVJA-UHFFFAOYSA-N 0 0 267.375 2.830 20 10 CFCDRN CCO[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCCC2 ZINC000743790884 574372145 /nfs/dbraw/zinc/37/21/45/574372145.db2.gz OLRCGRPGHXEKMG-QWHCGFSZSA-N 0 0 295.404 2.921 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N1CCCC1 ZINC000743812317 574372546 /nfs/dbraw/zinc/37/25/46/574372546.db2.gz WITWKCGKEVBNFU-UHFFFAOYSA-N 0 0 274.364 2.576 20 10 CFCDRN C/C=C(\C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751361776 574375321 /nfs/dbraw/zinc/37/53/21/574375321.db2.gz RGPYBUSOWNZPLR-HIICFIELSA-N 0 0 288.391 2.667 20 10 CFCDRN Cc1noc(C)c1[C@H](C)CNC(=O)C1=CC(=O)CS1 ZINC000752632720 574393321 /nfs/dbraw/zinc/39/33/21/574393321.db2.gz XZWBZHMYPJYDIV-SSDOTTSWSA-N 0 0 280.349 2.592 20 10 CFCDRN COc1cccc(NC(=S)NCc2ncccc2F)c1 ZINC000752766674 574394934 /nfs/dbraw/zinc/39/49/34/574394934.db2.gz PIBXYDRMGQTKBY-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000752823986 574395606 /nfs/dbraw/zinc/39/56/06/574395606.db2.gz GILPJXAUKAJDQU-GHMZBOCLSA-N 0 0 283.418 2.954 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2occc2C1 ZINC000752898492 574396285 /nfs/dbraw/zinc/39/62/85/574396285.db2.gz GHIKQFVIGOKCOP-XQRVVYSFSA-N 0 0 299.326 2.679 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cccc(C)c1O ZINC000753569537 574404750 /nfs/dbraw/zinc/40/47/50/574404750.db2.gz PQTOYTBZPOLIHD-CQSZACIVSA-N 0 0 277.364 2.522 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2CC(F)(F)C2)cc1 ZINC000753578508 574405215 /nfs/dbraw/zinc/40/52/15/574405215.db2.gz ILJZNCLNTJZNEC-UHFFFAOYSA-N 0 0 282.334 2.756 20 10 CFCDRN CC[C@@H](C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000828747659 601825718 /nfs/dbraw/zinc/82/57/18/601825718.db2.gz RVTBSTWPWVTVOC-SNVBAGLBSA-N 0 0 285.771 2.978 20 10 CFCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000043430865 598196499 /nfs/dbraw/zinc/19/64/99/598196499.db2.gz CTLXNIAIBITKHU-FZMZJTMJSA-N 0 0 264.369 2.512 20 10 CFCDRN COc1cccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1O ZINC000832553920 601562086 /nfs/dbraw/zinc/56/20/86/601562086.db2.gz HUFLQLGIACTVEZ-UHFFFAOYSA-N 0 0 293.363 2.668 20 10 CFCDRN CCOc1ccc(O)c(C[N@H+](CCC(=O)[O-])CC(C)C)c1 ZINC000833662571 604579629 /nfs/dbraw/zinc/57/96/29/604579629.db2.gz GOFFVLRDOMOPET-UHFFFAOYSA-N 0 0 295.379 2.724 20 10 CFCDRN CC(=O)c1cc(F)cc(Cn2cc(C3CCC3)nn2)c1O ZINC000900495061 620682483 /nfs/dbraw/zinc/68/24/83/620682483.db2.gz IDKWGWXBZVCEAH-UHFFFAOYSA-N 0 0 289.310 2.641 20 10 CFCDRN Clc1ccc(Sc2nccs2)nc1-c1nn[nH]n1 ZINC000822582474 606459658 /nfs/dbraw/zinc/45/96/58/606459658.db2.gz USPYHNHPEFPUJY-UHFFFAOYSA-N 0 0 296.768 2.523 20 10 CFCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1cccc(Cl)c1O ZINC000890759827 617837104 /nfs/dbraw/zinc/83/71/04/617837104.db2.gz RNMKYGUWOOEIIN-RNCFNFMXSA-N 0 0 285.771 2.723 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1CCSCC1 ZINC000890760363 617838736 /nfs/dbraw/zinc/83/87/36/617838736.db2.gz POXREFRIBBEJSJ-UHFFFAOYSA-N 0 0 285.796 2.805 20 10 CFCDRN COCCC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890760019 617839178 /nfs/dbraw/zinc/83/91/78/617839178.db2.gz YTQZGPJRVQYQDH-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000890761743 617841708 /nfs/dbraw/zinc/84/17/08/617841708.db2.gz WJFURBUTNXAQPX-GWCFXTLKSA-N 0 0 297.782 2.867 20 10 CFCDRN COc1ccc(C[N@H+](C(C)C)C2CC2)c(O)c1OC ZINC000891663422 617700671 /nfs/dbraw/zinc/70/06/71/617700671.db2.gz YUCXFKWYZDAGRH-UHFFFAOYSA-N 0 0 265.353 2.782 20 10 CFCDRN CCn1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000840841705 617772412 /nfs/dbraw/zinc/77/24/12/617772412.db2.gz ZAWMTXFOQAKTCI-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN COc1cccc(CNC(=O)/C(F)=C(/C)C2CC2)c1O ZINC000901128589 620754181 /nfs/dbraw/zinc/75/41/81/620754181.db2.gz YKWIQTKCMYSPNZ-UKTHLTGXSA-N 0 0 279.311 2.671 20 10 CFCDRN CC(C)[C@H](F)C(=O)NCc1cccc(Cl)c1O ZINC000890760029 617835704 /nfs/dbraw/zinc/83/57/04/617835704.db2.gz YZDXHBGHNMSMFY-JTQLQIEISA-N 0 0 259.708 2.656 20 10 CFCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000890760236 617835874 /nfs/dbraw/zinc/83/58/74/617835874.db2.gz LGIIZZSLUBYBMJ-ZCFIWIBFSA-N 0 0 281.661 2.860 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@@H]1C1CC1 ZINC000176188961 617884230 /nfs/dbraw/zinc/88/42/30/617884230.db2.gz DJNTZJWQJFEJLA-CABCVRRESA-N 0 0 285.387 2.933 20 10 CFCDRN C[C@@H](O)c1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000804803377 617889798 /nfs/dbraw/zinc/88/97/98/617889798.db2.gz LXEIQCNNSBRPGV-MRVPVSSYSA-N 0 0 291.278 2.543 20 10 CFCDRN Cc1cnc(NCc2cc(Br)ccc2O)nc1 ZINC000804828324 617904355 /nfs/dbraw/zinc/90/43/55/617904355.db2.gz NDSKFAZWVFCNEI-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000086775231 618092944 /nfs/dbraw/zinc/09/29/44/618092944.db2.gz TUYNICFYIIFJMC-OAHLLOKOSA-N 0 0 276.380 2.582 20 10 CFCDRN C/C=C(/C=C\C(=O)NCc1ccc(O)c(O)c1)CC ZINC000778917777 618112259 /nfs/dbraw/zinc/11/22/59/618112259.db2.gz ABXKFCMIIGKTEH-RMPJALIQSA-N 0 0 261.321 2.627 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000891327514 618131133 /nfs/dbraw/zinc/13/11/33/618131133.db2.gz GTLHTLOIXZROPS-NEPJUHHUSA-N 0 0 295.404 2.733 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000891327517 618131278 /nfs/dbraw/zinc/13/12/78/618131278.db2.gz GTLHTLOIXZROPS-RYUDHWBXSA-N 0 0 295.404 2.733 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC2CCSCC2)c1 ZINC000160905148 618187793 /nfs/dbraw/zinc/18/77/93/618187793.db2.gz FBCWXEAKSZFEAD-UHFFFAOYSA-N 0 0 295.404 2.550 20 10 CFCDRN COc1ccc(N(C)CC2CCOCC2)c(OC)c1 ZINC000179002626 618189026 /nfs/dbraw/zinc/18/90/26/618189026.db2.gz IIDXSEAAPZCBSR-UHFFFAOYSA-N 0 0 265.353 2.567 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000309616968 618220455 /nfs/dbraw/zinc/22/04/55/618220455.db2.gz DCTYQRZSRJWGPK-RKDXNWHRSA-N 0 0 288.185 2.668 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCOC1 ZINC000893951732 618251722 /nfs/dbraw/zinc/25/17/22/618251722.db2.gz JPZLHACIUSJICJ-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NOC1CCCC1 ZINC000894017493 618270612 /nfs/dbraw/zinc/27/06/12/618270612.db2.gz ILTCXODXHHPEQK-UHFFFAOYSA-N 0 0 284.743 2.719 20 10 CFCDRN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894063859 618299788 /nfs/dbraw/zinc/29/97/88/618299788.db2.gz RHJLHKQBEANUGG-GFCCVEGCSA-N 0 0 298.377 2.834 20 10 CFCDRN COc1ccc(CN[C@]2(C)CC(C)(C)OC2=O)cc1C ZINC000930872228 618305198 /nfs/dbraw/zinc/30/51/98/618305198.db2.gz YATXJERHUYNQHE-MRXNPFEDSA-N 0 0 277.364 2.577 20 10 CFCDRN CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000179535591 618325228 /nfs/dbraw/zinc/32/52/28/618325228.db2.gz RTVJEMYYMBSIAU-NWDGAFQWSA-N 0 0 295.404 2.810 20 10 CFCDRN CCN(C)c1ccc(CN(C)c2ccc3c(c2)OCO3)cn1 ZINC000191469278 618405328 /nfs/dbraw/zinc/40/53/28/618405328.db2.gz SMQXHWWGPUUGFW-UHFFFAOYSA-N 0 0 299.374 2.903 20 10 CFCDRN Cc1ccc(CN(C)c2ccc3c(c2)OCO3)cn1 ZINC000154760659 618453812 /nfs/dbraw/zinc/45/38/12/618453812.db2.gz DDECNGXYLBNDMA-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000726241355 618456756 /nfs/dbraw/zinc/45/67/56/618456756.db2.gz FKZDFEFCGNJQAJ-LSDHHAIUSA-N 0 0 282.343 2.748 20 10 CFCDRN Oc1cc2c(cc1CN1CCO[C@H](C(F)F)C1)CCCC2 ZINC000193442223 618460961 /nfs/dbraw/zinc/46/09/61/618460961.db2.gz RRTPRGYKTATGMN-HNNXBMFYSA-N 0 0 297.345 2.737 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccsc1 ZINC000193962289 618479942 /nfs/dbraw/zinc/47/99/42/618479942.db2.gz VBMDXDWWOQLINC-SECBINFHSA-N 0 0 292.360 2.912 20 10 CFCDRN C[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCO[C@H]1C1CC1 ZINC000841295559 618559586 /nfs/dbraw/zinc/55/95/86/618559586.db2.gz BHTWCXFDTFEFHF-HOCLYGCPSA-N 0 0 289.379 2.596 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CSC1 ZINC000895421693 618582196 /nfs/dbraw/zinc/58/21/96/618582196.db2.gz UDYLYBKJZFVWDD-UHFFFAOYSA-N 0 0 261.749 2.637 20 10 CFCDRN Cc1nnc(CCNc2ccccc2NC(C)C)o1 ZINC000901433720 620819007 /nfs/dbraw/zinc/81/90/07/620819007.db2.gz ZNTBPKVBSRMDHE-UHFFFAOYSA-N 0 0 260.341 2.853 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000841298378 618599449 /nfs/dbraw/zinc/59/94/49/618599449.db2.gz BPFKPNIJQPJULT-LBPRGKRZSA-N 0 0 259.353 2.923 20 10 CFCDRN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895470532 618601961 /nfs/dbraw/zinc/60/19/61/618601961.db2.gz KRUASQQSNXUWIO-LLVKDONJSA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cc(N(C)C)ncn1 ZINC000892564100 618634596 /nfs/dbraw/zinc/63/45/96/618634596.db2.gz MWYCHEHHRWVQSG-UHFFFAOYSA-N 0 0 285.395 2.529 20 10 CFCDRN COc1cccc2c1CCN(C(=O)C1=CC(=O)CS1)C2 ZINC000782880944 618662479 /nfs/dbraw/zinc/66/24/79/618662479.db2.gz VZQUPMYGDINOPC-UHFFFAOYSA-N 0 0 289.356 2.661 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccco1 ZINC000935948852 618718011 /nfs/dbraw/zinc/71/80/11/618718011.db2.gz RMNQHNAETUWHKZ-LLVKDONJSA-N 0 0 294.347 2.891 20 10 CFCDRN 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O=S(=O)(/C=C/c1ccc(F)cc1)Nc1ccc(O)cc1 ZINC000182420545 625299159 /nfs/dbraw/zinc/29/91/59/625299159.db2.gz GVRCTCZBIACLPW-MDZDMXLPSA-N 0 0 293.319 2.944 20 10 CFCDRN CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000182419994 625299581 /nfs/dbraw/zinc/29/95/81/625299581.db2.gz RAWGUSMFGCASOU-UHFFFAOYSA-N 0 0 277.345 2.755 20 10 CFCDRN Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)c(O)c1O ZINC000182231467 618891940 /nfs/dbraw/zinc/89/19/40/618891940.db2.gz NBWAJUQFXBTHLC-UHFFFAOYSA-N 0 0 282.299 2.555 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2noc(C3CC3)n2)c1 ZINC000182321000 618893995 /nfs/dbraw/zinc/89/39/95/618893995.db2.gz OWDARBMQOCJLNG-SECBINFHSA-N 0 0 289.335 2.512 20 10 CFCDRN Cc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000182457471 625310080 /nfs/dbraw/zinc/31/00/80/625310080.db2.gz VGTGHFKQMOHHPZ-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nccs1 ZINC000162828808 619064680 /nfs/dbraw/zinc/06/46/80/619064680.db2.gz MCPTVIKEMKUDMO-UHFFFAOYSA-N 0 0 254.742 2.792 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000219066668 619102093 /nfs/dbraw/zinc/10/20/93/619102093.db2.gz NNEGZXCXRUSLMP-MRCXROJRSA-N 0 0 253.317 2.749 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC1CC=CC1 ZINC000893661477 619149356 /nfs/dbraw/zinc/14/93/56/619149356.db2.gz LYASJPVPUZNYMD-UHFFFAOYSA-N 0 0 266.728 2.563 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C(F)(F)c1ccccc1 ZINC000182532289 625322504 /nfs/dbraw/zinc/32/25/04/625322504.db2.gz XIPVEBPBCFQZHQ-UHFFFAOYSA-N 0 0 293.269 2.506 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1C1CCCC1 ZINC000889405187 619178351 /nfs/dbraw/zinc/17/83/51/619178351.db2.gz KVCNLTPLVOTQPG-IZPAUZPXSA-N 0 0 287.359 2.902 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000840975230 619200440 /nfs/dbraw/zinc/20/04/40/619200440.db2.gz DYFCDSHTMPCPQN-AWEZNQCLSA-N 0 0 286.423 2.515 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840980428 619210004 /nfs/dbraw/zinc/21/00/04/619210004.db2.gz ZPLBVJUWRCRIDV-VHSXEESVSA-N 0 0 287.762 2.825 20 10 CFCDRN COc1ccc(N2CCC(NC(=O)C=C(C)C)CC2)cc1 ZINC000726562410 619251728 /nfs/dbraw/zinc/25/17/28/619251728.db2.gz MDIWBKNDOKEUTE-UHFFFAOYSA-N 0 0 288.391 2.746 20 10 CFCDRN CCCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562965 619252232 /nfs/dbraw/zinc/25/22/32/619252232.db2.gz SBUPCGQGMPVTIM-UHFFFAOYSA-N 0 0 290.407 2.970 20 10 CFCDRN CN(C[C@H](O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000182570588 625339092 /nfs/dbraw/zinc/33/90/92/625339092.db2.gz IYUNVWSPXHKRCH-MRXNPFEDSA-N 0 0 299.370 2.845 20 10 CFCDRN Cc1ccc(C(=O)OCCCCCF)c(O)c1O ZINC000791813488 619355493 /nfs/dbraw/zinc/35/54/93/619355493.db2.gz CUWBQDVANCUGPV-UHFFFAOYSA-N 0 0 256.273 2.703 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1[nH]nc(C)c1C ZINC000894428653 619381661 /nfs/dbraw/zinc/38/16/61/619381661.db2.gz ANOFNHOUVOBDCL-UHFFFAOYSA-N 0 0 271.364 2.988 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ocnc1C ZINC000894428687 619381840 /nfs/dbraw/zinc/38/18/40/619381840.db2.gz CVFVEMXXKOJEHG-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN COc1cc(N(C)Cc2ocnc2C)cc(OC)c1OC ZINC000894430052 619382117 /nfs/dbraw/zinc/38/21/17/619382117.db2.gz XANDRQFTRSJCTK-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000894421956 619382699 /nfs/dbraw/zinc/38/26/99/619382699.db2.gz YQNGMFHVHSOSNL-QMTHXVAHSA-N 0 0 285.334 2.653 20 10 CFCDRN CCN(Cc1cc(C)cc(OC)c1O)CC(F)F ZINC000894456203 619390775 /nfs/dbraw/zinc/39/07/75/619390775.db2.gz OQYKZMNUNQEEIU-UHFFFAOYSA-N 0 0 259.296 2.796 20 10 CFCDRN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533592 619412247 /nfs/dbraw/zinc/41/22/47/619412247.db2.gz TYVTYSHPXVAWOG-RULNRJAQSA-N 0 0 285.334 2.652 20 10 CFCDRN OC1CCN(c2ccc(CNc3nccs3)cc2)CC1 ZINC000894613795 619429820 /nfs/dbraw/zinc/42/98/20/619429820.db2.gz QVMRNXITROKRMX-UHFFFAOYSA-N 0 0 289.404 2.716 20 10 CFCDRN CSCCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894652819 619436760 /nfs/dbraw/zinc/43/67/60/619436760.db2.gz NXCVESXGAUZPJD-UHFFFAOYSA-N 0 0 261.337 2.855 20 10 CFCDRN Cc1nnc([C@@H](C)NCc2c(O)cc(C)cc2Cl)[nH]1 ZINC000894779431 619464195 /nfs/dbraw/zinc/46/41/95/619464195.db2.gz YDRFZXOLQKLIDA-MRVPVSSYSA-N 0 0 280.759 2.631 20 10 CFCDRN CCOc1ccc(O)c(CN2CC(C(F)(F)F)C2)c1 ZINC000894891687 619499945 /nfs/dbraw/zinc/49/99/45/619499945.db2.gz CQRQIEPSTGVXLG-UHFFFAOYSA-N 0 0 275.270 2.785 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)CC(C)(C)C ZINC000894915320 619512567 /nfs/dbraw/zinc/51/25/67/619512567.db2.gz RIKCEEGZKGDQTL-LBPRGKRZSA-N 0 0 287.350 2.899 20 10 CFCDRN CCc1nc(CNCc2cc(C)cc(OC)c2O)co1 ZINC000894917973 619512814 /nfs/dbraw/zinc/51/28/14/619512814.db2.gz QOADOCBJUVUFAR-UHFFFAOYSA-N 0 0 276.336 2.549 20 10 CFCDRN C[C@H](F)CCNC(=O)NCc1cccc(Cl)c1O ZINC000895050960 619535195 /nfs/dbraw/zinc/53/51/95/619535195.db2.gz MNTMICDXCRAVCX-QMMMGPOBSA-N 0 0 274.723 2.593 20 10 CFCDRN [O-]c1c(C[NH2+]C2CCC3(COC3)CC2)ccc(F)c1F ZINC000895694375 619584996 /nfs/dbraw/zinc/58/49/96/619584996.db2.gz LLPOHHAPNWDGOB-UHFFFAOYSA-N 0 0 283.318 2.719 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844716 619618308 /nfs/dbraw/zinc/61/83/08/619618308.db2.gz OGWMYMMJSAINHV-IINYFYTJSA-N 0 0 283.318 2.671 20 10 CFCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845779 619621006 /nfs/dbraw/zinc/62/10/06/619621006.db2.gz IZXNGQJOKZODDL-XHDPSFHLSA-N 0 0 265.328 2.532 20 10 CFCDRN CCO[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896642380 619777486 /nfs/dbraw/zinc/77/74/86/619777486.db2.gz QLMGFGAKWJWTJX-VXGBXAGGSA-N 0 0 267.344 2.969 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000896640193 619781761 /nfs/dbraw/zinc/78/17/61/619781761.db2.gz ZYCXMODHCSRTTP-ZETCQYMHSA-N 0 0 264.127 2.815 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000896640692 619781776 /nfs/dbraw/zinc/78/17/76/619781776.db2.gz MDBJJVJUXNUHLQ-UHFFFAOYSA-N 0 0 289.306 2.592 20 10 CFCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896961285 619906886 /nfs/dbraw/zinc/90/68/86/619906886.db2.gz XGKKZVPWVVKCFY-HNNXBMFYSA-N 0 0 299.370 2.930 20 10 CFCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1c(O)cccc1F ZINC000928707710 619996440 /nfs/dbraw/zinc/99/64/40/619996440.db2.gz GYDIOPYFOIRGEW-QWRGUYRKSA-N 0 0 265.328 2.974 20 10 CFCDRN CCn1cnc2c1CCN(Cc1c(O)cccc1Cl)C2 ZINC000897336259 619999429 /nfs/dbraw/zinc/99/94/29/619999429.db2.gz APJOTXSQQQXORG-UHFFFAOYSA-N 0 0 291.782 2.820 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccsc2)c1 ZINC000728983546 620048048 /nfs/dbraw/zinc/04/80/48/620048048.db2.gz AVKSRTAMQYCOQF-SECBINFHSA-N 0 0 277.345 2.953 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000840997419 620114914 /nfs/dbraw/zinc/11/49/14/620114914.db2.gz HDBMKAXXAKWKPU-MRXNPFEDSA-N 0 0 290.407 2.972 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997654 620116487 /nfs/dbraw/zinc/11/64/87/620116487.db2.gz XIMCZOXNTUCOLT-JFDDCEBESA-N 0 0 288.391 2.705 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1csc(C2CCCCC2)n1 ZINC000840666795 620189144 /nfs/dbraw/zinc/18/91/44/620189144.db2.gz SSZGSJBWNNWQNC-UHFFFAOYSA-N 0 0 295.360 2.506 20 10 CFCDRN C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(Cl)cc1[O-] ZINC000841748665 620211971 /nfs/dbraw/zinc/21/19/71/620211971.db2.gz MBQBXVHQEYGUIO-GRZMOONWSA-N 0 0 296.798 2.740 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528618 620216509 /nfs/dbraw/zinc/21/65/09/620216509.db2.gz MTWIBDZMCYCXMB-UHFFFAOYSA-N 0 0 299.773 2.970 20 10 CFCDRN Cc1ncc(CNC(=O)CCSc2nccs2)s1 ZINC000865352588 620240267 /nfs/dbraw/zinc/24/02/67/620240267.db2.gz OAYGXURRPUPPGK-UHFFFAOYSA-N 0 0 299.446 2.707 20 10 CFCDRN COC(=O)c1cc(OCCC(F)(F)F)ccc1N(C)C ZINC000865394849 620245202 /nfs/dbraw/zinc/24/52/02/620245202.db2.gz CMWXBGLQEVUMMI-UHFFFAOYSA-N 0 0 291.269 2.870 20 10 CFCDRN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897604605 620257082 /nfs/dbraw/zinc/25/70/82/620257082.db2.gz SSAORRGRJQWADS-UHFFFAOYSA-N 0 0 277.345 2.795 20 10 CFCDRN COc1cccc(O)c1CNc1cnn(C2CCC2)c1 ZINC000897876282 620296148 /nfs/dbraw/zinc/29/61/48/620296148.db2.gz PRSKKHVIOYJODC-UHFFFAOYSA-N 0 0 273.336 2.934 20 10 CFCDRN C[C@@H](O)c1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898218222 620347077 /nfs/dbraw/zinc/34/70/77/620347077.db2.gz BAFFFBFYGMBJEI-MRVPVSSYSA-N 0 0 298.795 2.845 20 10 CFCDRN Cn1ncc(Cl)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218281 620347167 /nfs/dbraw/zinc/34/71/67/620347167.db2.gz CQASJGDCBOOVGX-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000898259917 620359847 /nfs/dbraw/zinc/35/98/47/620359847.db2.gz UQWCFPOSMOWPGP-FPMFFAJLSA-N 0 0 274.364 2.688 20 10 CFCDRN CC1(C)CO[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000898277499 620363474 /nfs/dbraw/zinc/36/34/74/620363474.db2.gz OHNACKXUGNGRNP-GFCCVEGCSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@H]21)c1ccccc1O ZINC000898257216 620365468 /nfs/dbraw/zinc/36/54/68/620365468.db2.gz PVXRXFRHHKGDHD-HBJVGIJOSA-N 0 0 274.364 2.941 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](F)C1 ZINC000898297331 620366853 /nfs/dbraw/zinc/36/68/53/620366853.db2.gz RQRHLSRVHJZSKV-VIFPVBQESA-N 0 0 295.335 2.887 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000322959227 620395125 /nfs/dbraw/zinc/39/51/25/620395125.db2.gz UGZBIJIHCQOVRR-HZMBPMFUSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@](C)(C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000322959665 620395165 /nfs/dbraw/zinc/39/51/65/620395165.db2.gz UGZBIJIHCQOVRR-QMTHXVAHSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000927147025 620493114 /nfs/dbraw/zinc/49/31/14/620493114.db2.gz IQIILKIHBAPUGV-GIPNMCIBSA-N 0 0 269.772 2.857 20 10 CFCDRN COC/C(C)=C\COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000901590880 620864193 /nfs/dbraw/zinc/86/41/93/620864193.db2.gz VMWIVUVXDOUOMX-WQLSENKSSA-N 0 0 293.363 2.511 20 10 CFCDRN CCn1cc(CSc2ncc(Cl)s2)nn1 ZINC000901583020 620869268 /nfs/dbraw/zinc/86/92/68/620869268.db2.gz PCWOXVJKSGBUKV-UHFFFAOYSA-N 0 0 260.775 2.700 20 10 CFCDRN OCc1cncc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000902108658 620975107 /nfs/dbraw/zinc/97/51/07/620975107.db2.gz ORFASXQHKRATBW-UHFFFAOYSA-N 0 0 298.390 2.571 20 10 CFCDRN [NH3+]CC[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000841073205 621113640 /nfs/dbraw/zinc/11/36/40/621113640.db2.gz FUYOARVRIQZYLP-SECBINFHSA-N 0 0 299.148 2.771 20 10 CFCDRN C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1c([O-])cccc1F ZINC000903257547 621301404 /nfs/dbraw/zinc/30/14/04/621301404.db2.gz HDVMQDKNOJTLMX-LLVKDONJSA-N 0 0 279.355 2.877 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000903393464 621352437 /nfs/dbraw/zinc/35/24/37/621352437.db2.gz NNPPPJVLVJAOPY-XDTLVQLUSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903436113 621374206 /nfs/dbraw/zinc/37/42/06/621374206.db2.gz GXLKRTLXZPUCNB-ULSRQLJBSA-N 0 0 283.318 2.746 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Nc2nccs2)cc1 ZINC000042753582 621430631 /nfs/dbraw/zinc/43/06/31/621430631.db2.gz MEEHISMAJPIWCT-UHFFFAOYSA-N 0 0 290.392 2.873 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429260 621594448 /nfs/dbraw/zinc/59/44/48/621594448.db2.gz BFPHYXYDBPABDX-HNNXBMFYSA-N 0 0 298.789 2.903 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2ccnn2C2CCC2)cc1 ZINC000904563448 621610304 /nfs/dbraw/zinc/61/03/04/621610304.db2.gz JJEYYWHMPWYUMY-UHFFFAOYSA-N 0 0 299.378 2.555 20 10 CFCDRN Cn1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)n1 ZINC000904872638 621666737 /nfs/dbraw/zinc/66/67/37/621666737.db2.gz DZHCVGJYADNFPS-UHFFFAOYSA-N 0 0 291.314 2.928 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)CC1(O)CCCC1 ZINC000905302690 621745803 /nfs/dbraw/zinc/74/58/03/621745803.db2.gz YDYZMZDYCFDUMS-AWEZNQCLSA-N 0 0 293.407 2.943 20 10 CFCDRN CCc1ncnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000183598391 625519969 /nfs/dbraw/zinc/51/99/69/625519969.db2.gz OCINYOGVGZEIRP-VIFPVBQESA-N 0 0 291.326 2.632 20 10 CFCDRN Cc1c(F)ccc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC000905918168 621900203 /nfs/dbraw/zinc/90/02/03/621900203.db2.gz WPLMUUZMDJYHQS-SOFGYWHQSA-N 0 0 299.349 2.860 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cn(C)cn1)c1cccnc1 ZINC000906073711 621928867 /nfs/dbraw/zinc/92/88/67/621928867.db2.gz FEKYGWNRZWWGQU-FPLPWBNLSA-N 0 0 284.363 2.662 20 10 CFCDRN CC[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000832835485 625531333 /nfs/dbraw/zinc/53/13/33/625531333.db2.gz XEQSDFDVAHZOAM-MGCOHNPYSA-N 0 0 281.327 2.936 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000907491747 622131821 /nfs/dbraw/zinc/13/18/21/622131821.db2.gz GBMMJKYMKQLNDX-STQMWFEESA-N 0 0 298.390 2.524 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)OC1CCC1 ZINC000908329115 622220544 /nfs/dbraw/zinc/22/05/44/622220544.db2.gz PHQSPNKDJRZYFG-UHFFFAOYSA-N 0 0 255.701 2.824 20 10 CFCDRN O=C(NCC[C@H]1CCc2ccccc21)c1cccc(O)c1O ZINC000833398321 625565401 /nfs/dbraw/zinc/56/54/01/625565401.db2.gz DTBKCPUSVBWNEF-CYBMUJFWSA-N 0 0 297.354 2.948 20 10 CFCDRN CCC[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910949173 622488798 /nfs/dbraw/zinc/48/87/98/622488798.db2.gz GRUNNHMQQLIZSQ-CYBMUJFWSA-N 0 0 265.353 2.786 20 10 CFCDRN O=C(/C=C\C1CCCCC1)NCc1ccc(O)cc1O ZINC000910950174 622488939 /nfs/dbraw/zinc/48/89/39/622488939.db2.gz DOSGVUNHOJEFPY-TWGQIWQCSA-N 0 0 275.348 2.851 20 10 CFCDRN CC1CCC(=CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950534 622489242 /nfs/dbraw/zinc/48/92/42/622489242.db2.gz GYLWAOHFZYHOCB-UHFFFAOYSA-N 0 0 275.348 2.851 20 10 CFCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910950626 622489405 /nfs/dbraw/zinc/48/94/05/622489405.db2.gz YTWYNVUNFOLFFL-SNVBAGLBSA-N 0 0 265.353 2.786 20 10 CFCDRN CC1(C)CC=C(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910945349 622491991 /nfs/dbraw/zinc/49/19/91/622491991.db2.gz SXWOMNRFMUXIOJ-UHFFFAOYSA-N 0 0 275.348 2.851 20 10 CFCDRN CC(C)c1ccoc1C(=O)NCc1ccc(O)cc1O ZINC000910946976 622492366 /nfs/dbraw/zinc/49/23/66/622492366.db2.gz XPSYSALLWQHTRD-UHFFFAOYSA-N 0 0 275.304 2.744 20 10 CFCDRN CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000911660145 622531624 /nfs/dbraw/zinc/53/16/24/622531624.db2.gz HBGZMMUGCZACJY-RISCZKNCSA-N 0 0 262.353 2.659 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000820116900 622613650 /nfs/dbraw/zinc/61/36/50/622613650.db2.gz ZPXLVONEVKNVSW-LLVKDONJSA-N 0 0 272.308 2.688 20 10 CFCDRN O=C(OCC[C@@H]1CC1(Cl)Cl)c1cccc(O)c1O ZINC000820525409 622694431 /nfs/dbraw/zinc/69/44/31/622694431.db2.gz ATEDOQOGCALLBW-SSDOTTSWSA-N 0 0 291.130 2.839 20 10 CFCDRN CCOc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000150732801 622718376 /nfs/dbraw/zinc/71/83/76/622718376.db2.gz HDSIHMHWKPZXSD-UHFFFAOYSA-N 0 0 284.359 2.821 20 10 CFCDRN CCn1nc(C2CC2)cc1C(=O)NCc1cc(C)ccc1O ZINC000913000809 622816590 /nfs/dbraw/zinc/81/65/90/622816590.db2.gz VVZPJAZCNSADAZ-UHFFFAOYSA-N 0 0 299.374 2.724 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CC(F)(F)C(F)F)c1 ZINC000913000534 622816658 /nfs/dbraw/zinc/81/66/58/622816658.db2.gz MQTPCRJOOGOJGS-UHFFFAOYSA-N 0 0 279.233 2.607 20 10 CFCDRN COc1ccc(N(C)Cc2coc(C)n2)c(OC)c1 ZINC000821396429 622913435 /nfs/dbraw/zinc/91/34/35/622913435.db2.gz NAGVGWNLEYIUJL-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnsn1 ZINC000821428938 622921347 /nfs/dbraw/zinc/92/13/47/622921347.db2.gz AQVFBFQGJYGTTE-UHFFFAOYSA-N 0 0 292.364 2.688 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc[nH]1 ZINC000156343154 622934648 /nfs/dbraw/zinc/93/46/48/622934648.db2.gz XFBAUWZFSZSVCG-UHFFFAOYSA-N 0 0 270.332 2.529 20 10 CFCDRN C[C@H](C1CC1)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000821746788 622970544 /nfs/dbraw/zinc/97/05/44/622970544.db2.gz HQHNZFXVVANYDU-MRVPVSSYSA-N 0 0 251.351 2.857 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCCCC2)cc1F ZINC000057646778 623008078 /nfs/dbraw/zinc/00/80/78/623008078.db2.gz UOKHZCACSAMPDP-UHFFFAOYSA-N 0 0 293.386 2.977 20 10 CFCDRN CN1CCCc2cc(CNc3ncnc4c3CCC4)ccc21 ZINC000225539280 623044652 /nfs/dbraw/zinc/04/46/52/623044652.db2.gz JWIODPWEONSLSW-UHFFFAOYSA-N 0 0 294.402 2.960 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000227374233 623108661 /nfs/dbraw/zinc/10/86/61/623108661.db2.gz YKPUDASUWAVHST-MRCXROJRSA-N 0 0 253.317 2.749 20 10 CFCDRN O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1c(F)ccc(O)c1O ZINC000822485220 623114184 /nfs/dbraw/zinc/11/41/84/623114184.db2.gz IKGMSHDMYMALEY-WDEREUQCSA-N 0 0 293.338 2.936 20 10 CFCDRN C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000228085560 623130189 /nfs/dbraw/zinc/13/01/89/623130189.db2.gz VLQMBIPQAMDYHZ-JGVFFNPUSA-N 0 0 278.179 2.948 20 10 CFCDRN CCOCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000060630743 623142962 /nfs/dbraw/zinc/14/29/62/623142962.db2.gz ITCWEBOXEMOGBU-UHFFFAOYSA-N 0 0 290.407 2.720 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000229426486 623203929 /nfs/dbraw/zinc/20/39/29/623203929.db2.gz QKIVEIKKPMXAQF-OUAUKWLOSA-N 0 0 263.337 2.604 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000822971615 623212554 /nfs/dbraw/zinc/21/25/54/623212554.db2.gz GHYVMLRBPROHDB-LEWSCRJBSA-N 0 0 275.348 2.540 20 10 CFCDRN CC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000171409161 623222122 /nfs/dbraw/zinc/22/21/22/623222122.db2.gz XGKPKYIUWYCVTP-ZJUUUORDSA-N 0 0 266.341 2.560 20 10 CFCDRN CN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1O ZINC000171926202 623248977 /nfs/dbraw/zinc/24/89/77/623248977.db2.gz DYWUAXYXGPHORM-UHFFFAOYSA-N 0 0 285.303 2.667 20 10 CFCDRN CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000062576707 623279599 /nfs/dbraw/zinc/27/95/99/623279599.db2.gz UAMBIIXCZCCNFQ-UHFFFAOYSA-N 0 0 256.349 2.773 20 10 CFCDRN CSCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000172396812 623279617 /nfs/dbraw/zinc/27/96/17/623279617.db2.gz AQNCBHNZSRAOKR-UHFFFAOYSA-N 0 0 291.372 2.877 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccccn1)c1ccc(F)cc1[O-] ZINC000062744843 623293945 /nfs/dbraw/zinc/29/39/45/623293945.db2.gz DRRXQANEIVNANR-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCF ZINC000840478570 623294175 /nfs/dbraw/zinc/29/41/75/623294175.db2.gz HVAVHYYISRXZPP-CYBMUJFWSA-N 0 0 295.402 2.651 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000823481659 623331132 /nfs/dbraw/zinc/33/11/32/623331132.db2.gz LPKSJALTCVYGAI-REBRKWNGSA-N 0 0 287.407 2.911 20 10 CFCDRN CCN(CCSC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824140916 623459334 /nfs/dbraw/zinc/45/93/34/623459334.db2.gz BQMAFVNVGMAGRL-UHFFFAOYSA-N 0 0 294.380 2.674 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccncc1F ZINC000824171740 623464164 /nfs/dbraw/zinc/46/41/64/623464164.db2.gz HRAOSMBMDUJVSK-UHFFFAOYSA-N 0 0 287.338 2.686 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000824474848 623511271 /nfs/dbraw/zinc/51/12/71/623511271.db2.gz UQXLCCDFBCOUTI-PHIMTYICSA-N 0 0 269.772 2.963 20 10 CFCDRN CN(Cc1cc(C(F)(F)F)nn1C)Cc1ccccc1O ZINC000824591998 623529574 /nfs/dbraw/zinc/52/95/74/623529574.db2.gz CAAPWKKPGIDPOU-UHFFFAOYSA-N 0 0 299.296 2.777 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2cnccn2)cc1Cl ZINC000824632921 623535480 /nfs/dbraw/zinc/53/54/80/623535480.db2.gz UJKRNIRQHDOKTL-UHFFFAOYSA-N 0 0 277.755 2.776 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3CC4(CC4)C3)ccc21 ZINC000824683057 623544530 /nfs/dbraw/zinc/54/45/30/623544530.db2.gz UFOQICWCIIHYIC-UHFFFAOYSA-N 0 0 284.403 2.875 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC2(F)F)cc1 ZINC000824796652 623567164 /nfs/dbraw/zinc/56/71/64/623567164.db2.gz DCLIPKXUUIIZGM-SECBINFHSA-N 0 0 296.277 2.624 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825045548 623616146 /nfs/dbraw/zinc/61/61/46/623616146.db2.gz GRIJZUMGWWFOME-SECBINFHSA-N 0 0 297.761 2.639 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000913856854 623622713 /nfs/dbraw/zinc/62/27/13/623622713.db2.gz QQTBGPHBIQGXNU-GWCFXTLKSA-N 0 0 280.343 2.909 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)O[C@H]1CCOC1 ZINC000913878479 623632335 /nfs/dbraw/zinc/63/23/35/623632335.db2.gz UGUGMLRQVUZOBE-HNNXBMFYSA-N 0 0 292.379 2.500 20 10 CFCDRN C[C@H](Cc1ccco1)NC(=O)NCc1c(O)cccc1F ZINC000914106303 623697661 /nfs/dbraw/zinc/69/76/61/623697661.db2.gz CPJBCHZNSPXIGR-SNVBAGLBSA-N 0 0 292.310 2.555 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCN(c2ccccc2)C1 ZINC000825658189 623732331 /nfs/dbraw/zinc/73/23/31/623732331.db2.gz DCPVDHSIQOAPIP-HNNXBMFYSA-N 0 0 296.370 2.535 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC2 ZINC000825678293 623737715 /nfs/dbraw/zinc/73/77/15/623737715.db2.gz CDROXJFVHWQBEK-UHFFFAOYSA-N 0 0 299.374 2.587 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCCC(C)C)c1 ZINC000825838922 623759663 /nfs/dbraw/zinc/75/96/63/623759663.db2.gz IGTFWTZDYIIGJM-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c(F)ccc(O)c1O ZINC000826113154 623794781 /nfs/dbraw/zinc/79/47/81/623794781.db2.gz PYSSXORJOGIDQB-GARJFASQSA-N 0 0 293.338 2.936 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC1(F)F ZINC000826137456 623796900 /nfs/dbraw/zinc/79/69/00/623796900.db2.gz RVKUMUOMVOOZBT-LBPRGKRZSA-N 0 0 281.302 2.542 20 10 CFCDRN C/C(=C\C(=O)N1CC2(CC2)c2ccccc21)c1cnccn1 ZINC000826137767 623797595 /nfs/dbraw/zinc/79/75/95/623797595.db2.gz XOASPDGBSDNJDA-JLHYYAGUSA-N 0 0 291.354 2.958 20 10 CFCDRN C/C(=C/C(=O)N1CC2(CC2)c2ccccc21)c1cnccn1 ZINC000826137768 623797850 /nfs/dbraw/zinc/79/78/50/623797850.db2.gz XOASPDGBSDNJDA-RAXLEYEMSA-N 0 0 291.354 2.958 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1F ZINC000914475089 623874157 /nfs/dbraw/zinc/87/41/57/623874157.db2.gz HKPYMKXRJIXHHH-HJWRWDBZSA-N 0 0 273.311 2.626 20 10 CFCDRN CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000032048147 623881752 /nfs/dbraw/zinc/88/17/52/623881752.db2.gz UOUASXXVPWYVMF-UHFFFAOYSA-N 0 0 264.550 2.918 20 10 CFCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000826872309 623900120 /nfs/dbraw/zinc/90/01/20/623900120.db2.gz KJUMESMSDRKMCJ-AWEZNQCLSA-N 0 0 299.798 2.577 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])c2ncnn21 ZINC000826888634 623903451 /nfs/dbraw/zinc/90/34/51/623903451.db2.gz JINLOJIBMNMAHD-WRWORJQWSA-N 0 0 296.733 2.572 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827005655 623923131 /nfs/dbraw/zinc/92/31/31/623923131.db2.gz HVCKBICQKHUCIA-XYPYZODXSA-N 0 0 273.735 2.842 20 10 CFCDRN CC[C@@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000827084858 623937555 /nfs/dbraw/zinc/93/75/55/623937555.db2.gz DQNASRBMPIVNLO-ZDUSSCGKSA-N 0 0 279.380 2.829 20 10 CFCDRN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[C@H]1O ZINC000827151408 623953721 /nfs/dbraw/zinc/95/37/21/623953721.db2.gz AGXLMAONTFMDEX-QRJZZWFUSA-N 0 0 287.762 2.633 20 10 CFCDRN CCOc1ccc(C[N@H+](C)CC2=CCCOC2)c(O)c1 ZINC000827184645 623961368 /nfs/dbraw/zinc/96/13/68/623961368.db2.gz DHGGRLDLPISXDF-UHFFFAOYSA-N 0 0 277.364 2.569 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1=CCCOC1 ZINC000827190235 623962536 /nfs/dbraw/zinc/96/25/36/623962536.db2.gz SNZWOFMZEMNRKD-UHFFFAOYSA-N 0 0 285.746 2.963 20 10 CFCDRN C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827282857 623981447 /nfs/dbraw/zinc/98/14/47/623981447.db2.gz NPZARANFNSFCOQ-YGRLFVJLSA-N 0 0 285.746 2.653 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000827359615 623992902 /nfs/dbraw/zinc/99/29/02/623992902.db2.gz QKGMFVHIXUWSDC-JTQLQIEISA-N 0 0 287.762 2.683 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1 ZINC000072590644 625690920 /nfs/dbraw/zinc/69/09/20/625690920.db2.gz KBWBOAGHIALBDI-UHFFFAOYSA-N 0 0 290.294 2.601 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1nccn1C ZINC000827722139 624075618 /nfs/dbraw/zinc/07/56/18/624075618.db2.gz ALLFXOJXUSHFPD-VIFPVBQESA-N 0 0 265.744 2.630 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)[nH]1 ZINC000827923327 624128781 /nfs/dbraw/zinc/12/87/81/624128781.db2.gz OXZVGMOPBHGOCM-SNVBAGLBSA-N 0 0 258.321 2.828 20 10 CFCDRN CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930887 624130293 /nfs/dbraw/zinc/13/02/93/624130293.db2.gz SZLWSVUBDZJZDF-NEPJUHHUSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccccc1O ZINC000827937084 624131367 /nfs/dbraw/zinc/13/13/67/624131367.db2.gz JZLXZPWCZUYTRJ-NNNHXZLVSA-N 0 0 275.348 2.552 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(C)n1 ZINC000827931098 624131600 /nfs/dbraw/zinc/13/16/00/624131600.db2.gz XWVZDYGKAWFJHX-LLVKDONJSA-N 0 0 270.332 2.895 20 10 CFCDRN CS[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940891 624132605 /nfs/dbraw/zinc/13/26/05/624132605.db2.gz KAENTORZFYMOMG-VHSXEESVSA-N 0 0 253.367 2.711 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000827941759 624133644 /nfs/dbraw/zinc/13/36/44/624133644.db2.gz HVENEWBIDPSCCX-NSHDSACASA-N 0 0 294.351 2.787 20 10 CFCDRN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CCO1 ZINC000827940878 624133781 /nfs/dbraw/zinc/13/37/81/624133781.db2.gz JRMLMTREQWPTNO-FRRDWIJNSA-N 0 0 277.364 2.775 20 10 CFCDRN COCCC[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941704 624133790 /nfs/dbraw/zinc/13/37/90/624133790.db2.gz WVCIQQDQIJKBAY-NWDGAFQWSA-N 0 0 265.353 2.632 20 10 CFCDRN CSC1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827946261 624134940 /nfs/dbraw/zinc/13/49/40/624134940.db2.gz BQHLZKPQZSWCLW-SNVBAGLBSA-N 0 0 265.378 2.855 20 10 CFCDRN C[C@@H](NC(=O)C(C)(C)c1ccccn1)c1ccccc1O ZINC000827946247 624134952 /nfs/dbraw/zinc/13/49/52/624134952.db2.gz BHFZXZLNEHWRBE-GFCCVEGCSA-N 0 0 284.359 2.942 20 10 CFCDRN C[C@@H](NC(=O)C(C)(C)C(F)F)c1ccccc1O ZINC000827946269 624134967 /nfs/dbraw/zinc/13/49/67/624134967.db2.gz CAZPWGLJJCRXNH-MRVPVSSYSA-N 0 0 257.280 2.861 20 10 CFCDRN C[C@@H](NC(=O)C(F)(F)C1(O)CCCC1)c1ccccc1O ZINC000827946550 624134974 /nfs/dbraw/zinc/13/49/74/624134974.db2.gz LQVBQUHARDFECE-SNVBAGLBSA-N 0 0 299.317 2.510 20 10 CFCDRN CCc1nocc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000827955408 624137915 /nfs/dbraw/zinc/13/79/15/624137915.db2.gz GYUPPTHIPJJBAB-UHFFFAOYSA-N 0 0 287.363 2.541 20 10 CFCDRN C[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccccc1O ZINC000827955492 624138154 /nfs/dbraw/zinc/13/81/54/624138154.db2.gz ADILJSKBOXDZDC-OCCSQVGLSA-N 0 0 297.354 2.963 20 10 CFCDRN CC(C)c1nocc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827955699 624138248 /nfs/dbraw/zinc/13/82/48/624138248.db2.gz DCPWTJWUVAVMIG-JTQLQIEISA-N 0 0 274.320 2.995 20 10 CFCDRN CSC(C)(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000827955857 624138370 /nfs/dbraw/zinc/13/83/70/624138370.db2.gz LFPPXKCFJMYOQD-UHFFFAOYSA-N 0 0 280.437 2.819 20 10 CFCDRN CCn1ncc(Cl)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827959918 624139737 /nfs/dbraw/zinc/13/97/37/624139737.db2.gz HGBIXMWOHWMMOR-VIFPVBQESA-N 0 0 293.754 2.753 20 10 CFCDRN C[C@H](NC(=O)C(C)(C)C(F)F)c1ccccc1O ZINC000827963841 624140630 /nfs/dbraw/zinc/14/06/30/624140630.db2.gz CAZPWGLJJCRXNH-QMMMGPOBSA-N 0 0 257.280 2.861 20 10 CFCDRN CC[C@@H](C)[C@@H](OC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964834 624141273 /nfs/dbraw/zinc/14/12/73/624141273.db2.gz XGTFWUKFLUAKGW-UHIISALHSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1O ZINC000827964843 624141277 /nfs/dbraw/zinc/14/12/77/624141277.db2.gz XPKZBBHGWUXXII-SDDRHHMPSA-N 0 0 275.348 2.575 20 10 CFCDRN COC1(C(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000827969731 624142200 /nfs/dbraw/zinc/14/22/00/624142200.db2.gz RANRYMRWFDMXSL-NSHDSACASA-N 0 0 263.337 2.529 20 10 CFCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2O)n(C)n1 ZINC000827973590 624143961 /nfs/dbraw/zinc/14/39/61/624143961.db2.gz UHODFRMSTFGKSX-NSHDSACASA-N 0 0 287.363 2.740 20 10 CFCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000827982027 624146291 /nfs/dbraw/zinc/14/62/91/624146291.db2.gz LIRAKAUDYCHYPY-LBPRGKRZSA-N 0 0 270.332 2.516 20 10 CFCDRN C[C@H](NC(=O)c1noc2c1CCCC2)c1ccccc1O ZINC000827982327 624146439 /nfs/dbraw/zinc/14/64/39/624146439.db2.gz SNDYDUXBEMTRKI-JTQLQIEISA-N 0 0 286.331 2.750 20 10 CFCDRN COC(=O)c1cnc(Sc2ccnc(C(C)C)n2)s1 ZINC000828427470 624243555 /nfs/dbraw/zinc/24/35/55/624243555.db2.gz BNMVVJUGQNXNEH-UHFFFAOYSA-N 0 0 295.389 2.994 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCc3cccc(Cl)c32)cn1 ZINC000916419519 624245061 /nfs/dbraw/zinc/24/50/61/624245061.db2.gz CKPNUBOXMLKQMN-WAYWQWQTSA-N 0 0 287.750 2.676 20 10 CFCDRN O=C(CCC1CCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916589393 624258201 /nfs/dbraw/zinc/25/82/01/624258201.db2.gz FJPFLOOIBAVOIS-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN Cc1cccc2c1CC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000828762751 624297821 /nfs/dbraw/zinc/29/78/21/624297821.db2.gz KEWSXVUSBDCKHS-KRWDZBQOSA-N 0 0 280.371 2.923 20 10 CFCDRN CCC[C@H](OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828861458 624315451 /nfs/dbraw/zinc/31/54/51/624315451.db2.gz PQBJJVPSMWDOCS-WFASDCNBSA-N 0 0 278.396 2.745 20 10 CFCDRN C[C@H]1CCC[C@H](C2CN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000829119598 624377239 /nfs/dbraw/zinc/37/72/39/624377239.db2.gz OQECZDPMAHKWHH-RYUDHWBXSA-N 0 0 289.375 2.996 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CC[C@@H](C3CC3)O2)s1 ZINC000917779089 624384310 /nfs/dbraw/zinc/38/43/10/624384310.db2.gz XUCSFMYNABHRPS-UWVGGRQHSA-N 0 0 299.417 2.979 20 10 CFCDRN CN(C)C(=O)OCSc1ncc(Cl)s1 ZINC000918094654 624415061 /nfs/dbraw/zinc/41/50/61/624415061.db2.gz ANAHJHYYVLHBFU-UHFFFAOYSA-N 0 0 252.748 2.544 20 10 CFCDRN CCc1cnc(CSc2ncc(C(=O)OC)s2)o1 ZINC000829680796 624505773 /nfs/dbraw/zinc/50/57/73/624505773.db2.gz FFYHCPKZMVSABC-UHFFFAOYSA-N 0 0 284.362 2.772 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000829846010 624565780 /nfs/dbraw/zinc/56/57/80/624565780.db2.gz RKRNKVPSDIYARS-NEPJUHHUSA-N 0 0 293.388 2.818 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(Cl)nn2)c(OC)c1 ZINC000930076961 624572958 /nfs/dbraw/zinc/57/29/58/624572958.db2.gz NGEKHELBDLWJQD-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN O=C(NCCCC1CC1)NCc1c(O)cccc1F ZINC000919444462 624574459 /nfs/dbraw/zinc/57/44/59/624574459.db2.gz BNSGPLOIHAJVAN-UHFFFAOYSA-N 0 0 266.316 2.521 20 10 CFCDRN Cc1csc([C@H](C)C(=O)N(C)Cc2ccccc2O)n1 ZINC000830141174 624640573 /nfs/dbraw/zinc/64/05/73/624640573.db2.gz NZKDYDMAURTZHE-NSHDSACASA-N 0 0 290.388 2.919 20 10 CFCDRN CCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000919927804 624641562 /nfs/dbraw/zinc/64/15/62/624641562.db2.gz GORHTXPWLJCWLT-UHFFFAOYSA-N 0 0 298.452 2.703 20 10 CFCDRN O=C(C[C@@H]1CC=CCC1)NCc1c(O)cccc1F ZINC000830179636 624658522 /nfs/dbraw/zinc/65/85/22/624658522.db2.gz BHZUXMZCKGHQHO-LLVKDONJSA-N 0 0 263.312 2.894 20 10 CFCDRN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000920053654 624667871 /nfs/dbraw/zinc/66/78/71/624667871.db2.gz GVRJVHGAFSJUCV-NSHDSACASA-N 0 0 262.353 2.580 20 10 CFCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000920053652 624668272 /nfs/dbraw/zinc/66/82/72/624668272.db2.gz GVRJVHGAFSJUCV-LLVKDONJSA-N 0 0 262.353 2.580 20 10 CFCDRN O=C(CCC[C@@H](O)c1ccccc1)NCc1ccccc1O ZINC000830526647 624772605 /nfs/dbraw/zinc/77/26/05/624772605.db2.gz PPLBFDGOAVRWKW-MRXNPFEDSA-N 0 0 299.370 2.912 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC(C1CC1)C1CC1 ZINC000920803304 624772748 /nfs/dbraw/zinc/77/27/48/624772748.db2.gz NVXZKVCOGFHRLK-UHFFFAOYSA-N 0 0 292.354 2.767 20 10 CFCDRN COc1cccc(CNC(=O)Cc2cc(C)cc(C)c2)c1O ZINC000830541418 624775937 /nfs/dbraw/zinc/77/59/37/624775937.db2.gz XPAWGLWINWJFMA-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN CC1(C)CCC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000921351744 624852724 /nfs/dbraw/zinc/85/27/24/624852724.db2.gz SWVSCNPTGVBKKQ-ZDUSSCGKSA-N 0 0 280.343 2.909 20 10 CFCDRN C[C@@H]1Cc2cc(CNC(=O)C3=CC(=O)CS3)ccc2O1 ZINC000830827384 624889058 /nfs/dbraw/zinc/88/90/58/624889058.db2.gz HHMHFBWHQJKNBY-SECBINFHSA-N 0 0 289.356 2.707 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000179469836 624964457 /nfs/dbraw/zinc/96/44/57/624964457.db2.gz AGRIXTYFFNOCJP-VMPITWQZSA-N 0 0 268.316 2.772 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)c(O)c1O ZINC000179494403 624965267 /nfs/dbraw/zinc/96/52/67/624965267.db2.gz JGQQAGCVQAEDQL-SECBINFHSA-N 0 0 251.326 2.571 20 10 CFCDRN Cc1cc(C(=O)NCCc2ccc(N)cc2)c(C)s1 ZINC000237731660 624974517 /nfs/dbraw/zinc/97/45/17/624974517.db2.gz QNASNOAJKSETDD-UHFFFAOYSA-N 0 0 274.389 2.920 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(F)ccc2C)c1O ZINC000068488920 625002356 /nfs/dbraw/zinc/00/23/56/625002356.db2.gz VJORFXWSECNWBE-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(C)cc2C)c1O ZINC000068488617 625002401 /nfs/dbraw/zinc/00/24/01/625002401.db2.gz RTCNQLXEGLGEIS-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN OCCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000069003251 625044968 /nfs/dbraw/zinc/04/49/68/625044968.db2.gz XAYCJPTVEQGNEF-UHFFFAOYSA-N 0 0 275.270 2.720 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCO2 ZINC000180910625 625047060 /nfs/dbraw/zinc/04/70/60/625047060.db2.gz OFFQXEUEEBWDKG-QHHAFSJGSA-N 0 0 297.310 2.685 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc(O)cc2F)cc1 ZINC000181062367 625057869 /nfs/dbraw/zinc/05/78/69/625057869.db2.gz UFLAXGIHNFKLIL-UHFFFAOYSA-N 0 0 288.322 2.527 20 10 CFCDRN CCCCNC(=O)CN(CC1CC1)c1ccc(OC)cc1 ZINC000831583429 625059154 /nfs/dbraw/zinc/05/91/54/625059154.db2.gz XJRCYTONNZMPJF-UHFFFAOYSA-N 0 0 290.407 2.828 20 10 CFCDRN COc1ccc(N(C[C@@H](O)C(F)(F)F)CC2CC2)cc1 ZINC000831587845 625061074 /nfs/dbraw/zinc/06/10/74/625061074.db2.gz NLYZIGIIHYLTGP-CYBMUJFWSA-N 0 0 289.297 2.835 20 10 CFCDRN COc1ccc(N(Cc2cnn(C)c2)CC2CC2)cc1 ZINC000831587701 625061490 /nfs/dbraw/zinc/06/14/90/625061490.db2.gz HKRGMXHVTUWKJC-UHFFFAOYSA-N 0 0 271.364 2.845 20 10 CFCDRN COc1ccc(N(CC[C@H]2CCOC2=O)CC2CC2)cc1 ZINC000831587484 625061825 /nfs/dbraw/zinc/06/18/25/625061825.db2.gz BFOLUUICRLDHAX-AWEZNQCLSA-N 0 0 289.375 2.865 20 10 CFCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)nn1C(C)C ZINC000831749100 625113116 /nfs/dbraw/zinc/11/31/16/625113116.db2.gz YBPAGOCJZKDCFR-UHFFFAOYSA-N 0 0 272.352 2.536 20 10 CFCDRN C[C@@](CO)(NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000832192007 625240525 /nfs/dbraw/zinc/24/05/25/625240525.db2.gz VPPZSLOGTWCOAJ-AWEZNQCLSA-N 0 0 283.393 2.515 20 10 CFCDRN CCN(C)c1ccc(CN(CC(F)F)C[C@H](C)O)cc1 ZINC000832204733 625242969 /nfs/dbraw/zinc/24/29/69/625242969.db2.gz RMOFMIKAVUZMJN-LBPRGKRZSA-N 0 0 286.366 2.591 20 10 CFCDRN CCCCn1cc(C(=O)Nc2ccc(N)cc2)c(C)n1 ZINC000832250254 625253777 /nfs/dbraw/zinc/25/37/77/625253777.db2.gz NQCQAESMHMSOMJ-UHFFFAOYSA-N 0 0 272.352 2.826 20 10 CFCDRN Cc1cccc2c1CCN2C(=O)c1ccc(C)c(O)c1O ZINC000182253127 625276884 /nfs/dbraw/zinc/27/68/84/625276884.db2.gz FYVMKCCOXCFAKK-UHFFFAOYSA-N 0 0 283.327 2.918 20 10 CFCDRN CCC[C@H](CC)NC(=O)c1ccc(C)c(O)c1O ZINC000182248113 625276924 /nfs/dbraw/zinc/27/69/24/625276924.db2.gz FHBSSRZKFHBIMP-JTQLQIEISA-N 0 0 251.326 2.715 20 10 CFCDRN Cc1cccc2c1N(C(=O)c1cccc(O)c1O)CC2 ZINC000185796410 625779310 /nfs/dbraw/zinc/77/93/10/625779310.db2.gz COEFWFALGHOUCW-UHFFFAOYSA-N 0 0 269.300 2.609 20 10 CFCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)nc1 ZINC000834730159 625812542 /nfs/dbraw/zinc/81/25/42/625812542.db2.gz QZGQMRPWOKTDLL-GFCCVEGCSA-N 0 0 256.305 2.895 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834830672 625891328 /nfs/dbraw/zinc/89/13/28/625891328.db2.gz GFDUVOHLUAQGAX-PRHODGIISA-N 0 0 279.290 2.663 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834876733 625906684 /nfs/dbraw/zinc/90/66/84/625906684.db2.gz LVKLSZLQSGWMET-VHSXEESVSA-N 0 0 282.340 2.501 20 10 CFCDRN CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834883974 625908948 /nfs/dbraw/zinc/90/89/48/625908948.db2.gz SYGVQDIXRSZFGP-AXFHLTTASA-N 0 0 264.325 2.997 20 10 CFCDRN CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(F)cc1[O-] ZINC000834898852 625914517 /nfs/dbraw/zinc/91/45/17/625914517.db2.gz HHOCNQBEQIMLQA-CYBMUJFWSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000834906329 625917935 /nfs/dbraw/zinc/91/79/35/625917935.db2.gz DFSDYWCWXYSRDS-CWSCBRNRSA-N 0 0 296.798 2.740 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1ccc(F)cc1[O-] ZINC000834909578 625919939 /nfs/dbraw/zinc/91/99/39/625919939.db2.gz SMRKCCBFUCVIRE-OAHLLOKOSA-N 0 0 289.354 2.913 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000769467789 625924160 /nfs/dbraw/zinc/92/41/60/625924160.db2.gz YMSYUHWNSUVPLS-CYBMUJFWSA-N 0 0 288.313 2.516 20 10 CFCDRN Nc1ccc(CC(=O)NC2CCC3(CC3(F)F)CC2)cc1 ZINC000851645893 634471299 /nfs/dbraw/zinc/47/12/99/634471299.db2.gz RDRXMDAMNBIBRF-UHFFFAOYSA-N 0 0 294.345 2.896 20 10 CFCDRN c1c(CNCc2ccc3c(c2)CCCO3)nc2n1CCCC2 ZINC000921657888 626051047 /nfs/dbraw/zinc/05/10/47/626051047.db2.gz DSFLOHHYPNKNHW-UHFFFAOYSA-N 0 0 297.402 2.834 20 10 CFCDRN CCN(C)c1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000851707477 634480555 /nfs/dbraw/zinc/48/05/55/634480555.db2.gz DJNCZZLLEUOAJI-CYBMUJFWSA-N 0 0 290.407 2.970 20 10 CFCDRN CCc1nnc([C@H](C)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000921946361 626183170 /nfs/dbraw/zinc/18/31/70/626183170.db2.gz NBEQBFBADPAFKZ-NSHDSACASA-N 0 0 286.379 2.543 20 10 CFCDRN Cc1cc(C(=O)OCCO)c(C)n1-c1cccc(C)c1 ZINC000921959801 626185655 /nfs/dbraw/zinc/18/56/55/626185655.db2.gz KFVPDAIICYELLC-UHFFFAOYSA-N 0 0 273.332 2.552 20 10 CFCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](CO)c1ccccc1 ZINC000922087969 626206112 /nfs/dbraw/zinc/20/61/12/626206112.db2.gz XQOVXPFZTWXHJL-CYBMUJFWSA-N 0 0 291.372 2.649 20 10 CFCDRN COC[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000922546134 626305020 /nfs/dbraw/zinc/30/50/20/626305020.db2.gz YEXPILDOIIHMLQ-VUDGCMKMSA-N 0 0 294.347 2.573 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922731641 626355045 /nfs/dbraw/zinc/35/50/45/626355045.db2.gz FVQXUMSHMUUCDU-OIBJUYFYSA-N 0 0 290.241 2.588 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)oc2C)cc1OC ZINC000851734117 634499312 /nfs/dbraw/zinc/49/93/12/634499312.db2.gz AUMZPWJAQNUKCX-UHFFFAOYSA-N 0 0 276.336 2.945 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2C=CCCC2)c1 ZINC000186884299 626402122 /nfs/dbraw/zinc/40/21/22/626402122.db2.gz DBRQBYLXXTZBLC-GFCCVEGCSA-N 0 0 275.348 2.763 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000923047672 626446275 /nfs/dbraw/zinc/44/62/75/626446275.db2.gz WYRZJRRHCGBNOJ-OPQQBVKSSA-N 0 0 278.327 2.519 20 10 CFCDRN CCCC(=O)NCc1cc(NC(=O)CCC)ccc1O ZINC000923126248 626452217 /nfs/dbraw/zinc/45/22/17/626452217.db2.gz NZTTZXWSUNVJCH-UHFFFAOYSA-N 0 0 278.352 2.547 20 10 CFCDRN O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(O)c1O ZINC000187111530 626454245 /nfs/dbraw/zinc/45/42/45/626454245.db2.gz ZKFNQBPQNUQZRD-HNNXBMFYSA-N 0 0 297.354 2.849 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000923277622 626462550 /nfs/dbraw/zinc/46/25/50/626462550.db2.gz NKCSGVYKACVQSK-SDDRHHMPSA-N 0 0 292.354 2.767 20 10 CFCDRN CC(C)[C@H](NC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000923327127 626466779 /nfs/dbraw/zinc/46/67/79/626466779.db2.gz NSHJIWPPYIGQFT-AWEZNQCLSA-N 0 0 280.343 2.765 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000923387013 626470295 /nfs/dbraw/zinc/47/02/95/626470295.db2.gz ILDHFEIRLICIIM-GRYCIOLGSA-N 0 0 292.354 2.767 20 10 CFCDRN CONC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000074216988 626475697 /nfs/dbraw/zinc/47/56/97/626475697.db2.gz DHOBVDIHDXSTHE-UHFFFAOYSA-N 0 0 262.284 2.524 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccccc1O ZINC000838060850 626485222 /nfs/dbraw/zinc/48/52/22/626485222.db2.gz LICARBGLRKNACK-UKRRQHHQSA-N 0 0 262.353 2.626 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@H]1C ZINC000838477200 626499071 /nfs/dbraw/zinc/49/90/71/626499071.db2.gz FGFCRBVJOPZNEV-QWHCGFSZSA-N 0 0 275.396 2.611 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]1C1CC1 ZINC000838485250 626499266 /nfs/dbraw/zinc/49/92/66/626499266.db2.gz FTERXXLOTQFDMT-QGZVFWFLSA-N 0 0 297.402 2.757 20 10 CFCDRN C[C@H](NC(=O)N1C[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1 ZINC000838559501 626500379 /nfs/dbraw/zinc/50/03/79/626500379.db2.gz NFODMTCNZDWKJZ-FRRDWIJNSA-N 0 0 275.396 2.863 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000838725145 626504439 /nfs/dbraw/zinc/50/44/39/626504439.db2.gz PKCWYSDXCVIHHQ-KBPBESRZSA-N 0 0 274.364 2.580 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1O ZINC000838762520 626504898 /nfs/dbraw/zinc/50/48/98/626504898.db2.gz FJERQYIGPIYHJP-CJNGLKHVSA-N 0 0 292.379 2.635 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839147332 626526231 /nfs/dbraw/zinc/52/62/31/626526231.db2.gz HVCKBICQKHUCIA-PHIMTYICSA-N 0 0 273.735 2.842 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000839147270 626526241 /nfs/dbraw/zinc/52/62/41/626526241.db2.gz GWJFXIBVRJIQGK-PHIMTYICSA-N 0 0 255.745 2.703 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC(OC(F)F)C2)c1O ZINC000839144130 626528794 /nfs/dbraw/zinc/52/87/94/626528794.db2.gz LBMDTLABRPUUFH-UHFFFAOYSA-N 0 0 277.698 2.777 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187394 626530187 /nfs/dbraw/zinc/53/01/87/626530187.db2.gz HDHCXNCVCPXZQD-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccn(C)n1 ZINC000839190638 626530497 /nfs/dbraw/zinc/53/04/97/626530497.db2.gz JBVIAHQGJDHTBM-SECBINFHSA-N 0 0 265.744 2.630 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccco2)c1 ZINC000103503285 626547471 /nfs/dbraw/zinc/54/74/71/626547471.db2.gz YRIMQGMZXQUCFJ-JTQLQIEISA-N 0 0 290.319 2.554 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCC(C)(C)O)CCC2 ZINC000839656171 626549637 /nfs/dbraw/zinc/54/96/37/626549637.db2.gz IMLNCHWYZZQCCX-UHFFFAOYSA-N 0 0 279.380 2.617 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000805145676 626554191 /nfs/dbraw/zinc/55/41/91/626554191.db2.gz WAZXZVHVCRYXIY-XJKSGUPXSA-N 0 0 285.391 2.661 20 10 CFCDRN Cc1ccc(C(=O)O[C@@H](C)c2ccncc2)c(O)c1O ZINC000757697442 626558997 /nfs/dbraw/zinc/55/89/97/626558997.db2.gz NRAVXUVXWMWSIH-JTQLQIEISA-N 0 0 273.288 2.719 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C)cn2)cc1F ZINC000757852425 626565193 /nfs/dbraw/zinc/56/51/93/626565193.db2.gz NGAYHFRGMJNSDP-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN COc1ccc(N(C)CCc2cnn(C)c2)cc1Cl ZINC000757857107 626565568 /nfs/dbraw/zinc/56/55/68/626565568.db2.gz KHTXMHVQALDSED-UHFFFAOYSA-N 0 0 279.771 2.761 20 10 CFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC000759587763 626673841 /nfs/dbraw/zinc/67/38/41/626673841.db2.gz FEBXBTLTNOMLIB-JPVGGKMYSA-N 0 0 285.299 2.810 20 10 CFCDRN Cc1cnc([C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000759592292 626674220 /nfs/dbraw/zinc/67/42/20/626674220.db2.gz FFCXGDNIBUWQAQ-OAQKJQOQSA-N 0 0 289.287 2.712 20 10 CFCDRN CCOC1CC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000805199743 626725976 /nfs/dbraw/zinc/72/59/76/626725976.db2.gz BYJKIELFPSLEII-YGONEPDPSA-N 0 0 290.407 2.745 20 10 CFCDRN CC[C@H](CC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000760716681 626766112 /nfs/dbraw/zinc/76/61/12/626766112.db2.gz BTBYIIXEAYWNNW-SNVBAGLBSA-N 0 0 290.285 2.922 20 10 CFCDRN CCOc1ccc(N(C)Cc2cc(OC)no2)cc1 ZINC000851781460 634525425 /nfs/dbraw/zinc/52/54/25/634525425.db2.gz XQOWFSWTFROAOY-UHFFFAOYSA-N 0 0 262.309 2.718 20 10 CFCDRN CC[C@]1(C)NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761582009 626848313 /nfs/dbraw/zinc/84/83/13/626848313.db2.gz YWMDQFJAVHBKQH-BZNIZROVSA-N 0 0 289.379 2.534 20 10 CFCDRN O=C(NCc1ccccc1O)NC1CCC(F)(F)CC1 ZINC000761675291 626852881 /nfs/dbraw/zinc/85/28/81/626852881.db2.gz WLTFTNPVEMTZAK-UHFFFAOYSA-N 0 0 284.306 2.769 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)n1cccn1 ZINC000761749854 626856717 /nfs/dbraw/zinc/85/67/17/626856717.db2.gz JBLUYHCVOKUHLO-ZDUSSCGKSA-N 0 0 287.363 2.589 20 10 CFCDRN O=C(NCc1ccccc1O)C1=Cc2cc(F)ccc2OC1 ZINC000761957937 626874902 /nfs/dbraw/zinc/87/49/02/626874902.db2.gz VLTRCULJVSYIOX-UHFFFAOYSA-N 0 0 299.301 2.624 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCSC1 ZINC000762520071 626922173 /nfs/dbraw/zinc/92/21/73/626922173.db2.gz CDHYNYAWBDELHX-CYBMUJFWSA-N 0 0 279.405 2.884 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc(O)c(C)cc2C)c(O)c1O ZINC000762702659 626930780 /nfs/dbraw/zinc/93/07/80/626930780.db2.gz GTOGGTWKQPBZEM-UHFFFAOYSA-N 0 0 287.315 2.981 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C=C(C2CC2)C2CC2)c1 ZINC000762804128 626938990 /nfs/dbraw/zinc/93/89/90/626938990.db2.gz FXNJBQWXELXPBQ-UHFFFAOYSA-N 0 0 287.359 2.763 20 10 CFCDRN CCOC(=O)[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1 ZINC000763277411 626975750 /nfs/dbraw/zinc/97/57/50/626975750.db2.gz MQVFPPAZWHYWCN-GFCCVEGCSA-N 0 0 296.386 2.713 20 10 CFCDRN CC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000763499198 626992274 /nfs/dbraw/zinc/99/22/74/626992274.db2.gz BLZURVZTOFDJJY-OAHLLOKOSA-N 0 0 292.423 2.963 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)C(F)(F)F ZINC000763879504 627019301 /nfs/dbraw/zinc/01/93/01/627019301.db2.gz WZIFWEUINRGQJL-ZDUSSCGKSA-N 0 0 289.297 2.761 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)c(F)c2)sn1 ZINC000851808775 634542231 /nfs/dbraw/zinc/54/22/31/634542231.db2.gz PIRNKAYOOCSHED-UHFFFAOYSA-N 0 0 282.340 2.936 20 10 CFCDRN Cc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cn1 ZINC000764888319 627104972 /nfs/dbraw/zinc/10/49/72/627104972.db2.gz WGLJAZQVULSGDA-LCYFTJDESA-N 0 0 287.388 2.846 20 10 CFCDRN CN(C)c1nnc(Sc2ncc(Cl)s2)s1 ZINC000765029764 627114044 /nfs/dbraw/zinc/11/40/44/627114044.db2.gz GROPKOBWDJGVHS-UHFFFAOYSA-N 0 0 278.815 2.865 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ncccc1C(F)(F)F ZINC000765499738 627143507 /nfs/dbraw/zinc/14/35/07/627143507.db2.gz MNMYEPSLCRCRFO-DAXSKMNVSA-N 0 0 290.291 2.589 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1[O-] ZINC000765806006 627159044 /nfs/dbraw/zinc/15/90/44/627159044.db2.gz BDISHYBEGBQZKL-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)C(=O)OC(C)(C)C ZINC000839798733 627161205 /nfs/dbraw/zinc/16/12/05/627161205.db2.gz QHFCVPUSEKNVQD-VIFPVBQESA-N 0 0 299.392 2.504 20 10 CFCDRN CCc1cc(C)nc(NCc2cccc(OC)c2O)n1 ZINC000766078916 627175904 /nfs/dbraw/zinc/17/59/04/627175904.db2.gz XXUHDDONURIAHN-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CCC2)c(OC)c1 ZINC000851865223 634562076 /nfs/dbraw/zinc/56/20/76/634562076.db2.gz TUKOVZJDIRDLLN-INIZCTEOSA-N 0 0 279.380 2.955 20 10 CFCDRN CC(C)(C)c1cnc(S[C@@H]2CCCNC2=O)s1 ZINC000768399977 627341437 /nfs/dbraw/zinc/34/14/37/627341437.db2.gz GCOKEIOOGBBFSA-MRVPVSSYSA-N 0 0 270.423 2.811 20 10 CFCDRN CN(Cc1cc[nH]n1)Cc1cc2c(cc1O)CCCC2 ZINC000768445189 627344442 /nfs/dbraw/zinc/34/44/42/627344442.db2.gz FZLBQDNENRMFRZ-UHFFFAOYSA-N 0 0 271.364 2.626 20 10 CFCDRN CCOC(=O)[C@@H](NCc1cc(C)ccc1O)C(C)(C)C ZINC000768524418 627349919 /nfs/dbraw/zinc/34/99/19/627349919.db2.gz ONSRRIJJSFAFSY-CQSZACIVSA-N 0 0 279.380 2.768 20 10 CFCDRN COc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1O ZINC000768869762 627381450 /nfs/dbraw/zinc/38/14/50/627381450.db2.gz YKSZMZMOVFXPQC-UHFFFAOYSA-N 0 0 285.343 2.665 20 10 CFCDRN Cc1nc(CN2CCOc3cc(N(C)C)ccc32)c(C)o1 ZINC000851880845 634570561 /nfs/dbraw/zinc/57/05/61/634570561.db2.gz HGYQRYYBLSEDTR-UHFFFAOYSA-N 0 0 287.363 2.756 20 10 CFCDRN COc1cccc(O)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000769211419 627412925 /nfs/dbraw/zinc/41/29/25/627412925.db2.gz VLDIVMGHCNUASL-CYBMUJFWSA-N 0 0 287.363 2.851 20 10 CFCDRN CCOc1ccc(CN2CCC[C@H]2c2ncon2)c(O)c1 ZINC000769232382 627414343 /nfs/dbraw/zinc/41/43/43/627414343.db2.gz LNCTUYLGLRSLDJ-ZDUSSCGKSA-N 0 0 289.335 2.511 20 10 CFCDRN O=C(CNc1cccc(Cl)c1)NCc1ccccc1O ZINC000769362282 627428593 /nfs/dbraw/zinc/42/85/93/627428593.db2.gz GVDSBRIERFAFOJ-UHFFFAOYSA-N 0 0 290.750 2.774 20 10 CFCDRN O=C(CSc1ccc(O)cc1)NCc1ccccc1O ZINC000769363546 627428605 /nfs/dbraw/zinc/42/86/05/627428605.db2.gz TVYZPVYWVDXJJQ-UHFFFAOYSA-N 0 0 289.356 2.506 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000769494789 627447729 /nfs/dbraw/zinc/44/77/29/627447729.db2.gz ACBINUYWAUTWME-GXFFZTMASA-N 0 0 289.297 2.852 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2(C)CCCC2)c1 ZINC000769530653 627452191 /nfs/dbraw/zinc/45/21/91/627452191.db2.gz KNHWQPKSQLDJIJ-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000769989966 627494826 /nfs/dbraw/zinc/49/48/26/627494826.db2.gz SSOSBZPDTXMQSX-ZANVPECISA-N 0 0 281.352 2.977 20 10 CFCDRN COc1cccc(O)c1CNc1cccc(-n2ccnn2)c1 ZINC000770412847 627520881 /nfs/dbraw/zinc/52/08/81/627520881.db2.gz ZHBQIFSNPPHZMC-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN FC1=CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770665770 627538963 /nfs/dbraw/zinc/53/89/63/627538963.db2.gz HGHDVMOLJFEWHO-UHFFFAOYSA-N 0 0 276.355 2.582 20 10 CFCDRN CC(C)OC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000770687834 627541524 /nfs/dbraw/zinc/54/15/24/627541524.db2.gz FSMRVOAPMVZPJX-GFCCVEGCSA-N 0 0 299.798 2.671 20 10 CFCDRN CCC(CC)n1nccc1C(=O)NCc1ccccc1O ZINC000771003898 627568245 /nfs/dbraw/zinc/56/82/45/627568245.db2.gz IBLBJCOXQMSNTJ-UHFFFAOYSA-N 0 0 287.363 2.880 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccncc2C)c1 ZINC000771419564 627603639 /nfs/dbraw/zinc/60/36/39/627603639.db2.gz XDLXZNWIYOXCSJ-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000772064221 627669445 /nfs/dbraw/zinc/66/94/45/627669445.db2.gz LTYYJQLRHXHRRN-JKSUJKDBSA-N 0 0 274.408 2.969 20 10 CFCDRN COCc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000772558667 627721301 /nfs/dbraw/zinc/72/13/01/627721301.db2.gz JYYLIDXNYCMJEI-UHFFFAOYSA-N 0 0 286.331 2.860 20 10 CFCDRN CC(=O)C(C)(C)CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000772706448 627738004 /nfs/dbraw/zinc/73/80/04/627738004.db2.gz CXSROXDVXKNSQH-UHFFFAOYSA-N 0 0 290.407 2.764 20 10 CFCDRN C[C@@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(N(C)C)cc1 ZINC000773009697 627768328 /nfs/dbraw/zinc/76/83/28/627768328.db2.gz QBDRTFPIXLZFBX-DYVFJYSZSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(N(C)C)cc1 ZINC000773009702 627768631 /nfs/dbraw/zinc/76/86/31/627768631.db2.gz QBDRTFPIXLZFBX-SUMWQHHRSA-N 0 0 290.407 2.747 20 10 CFCDRN CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773016236 627768909 /nfs/dbraw/zinc/76/89/09/627768909.db2.gz UDZNOEODOZNQPB-RYUDHWBXSA-N 0 0 280.437 2.929 20 10 CFCDRN Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019400 627769476 /nfs/dbraw/zinc/76/94/76/627769476.db2.gz LGGOZAQGQPQKOC-LBPRGKRZSA-N 0 0 299.374 2.653 20 10 CFCDRN C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000773028192 627771119 /nfs/dbraw/zinc/77/11/19/627771119.db2.gz YLHBUNOOECNRKD-CZUORRHYSA-N 0 0 290.407 2.889 20 10 CFCDRN CCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773087777 627782138 /nfs/dbraw/zinc/78/21/38/627782138.db2.gz KMKVBOVUYARVON-LBPRGKRZSA-N 0 0 263.385 2.865 20 10 CFCDRN CSC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773304563 627804571 /nfs/dbraw/zinc/80/45/71/627804571.db2.gz GOAFYAWJXCMEOH-RYUDHWBXSA-N 0 0 295.452 2.864 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000773337789 627807405 /nfs/dbraw/zinc/80/74/05/627807405.db2.gz KZKOUFWQEIPFKY-DGCLKSJQSA-N 0 0 293.436 2.618 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC[C@H](C)SC)c1 ZINC000773476141 627825839 /nfs/dbraw/zinc/82/58/39/627825839.db2.gz FWFFKTLMFJUEKT-JTQLQIEISA-N 0 0 283.393 2.549 20 10 CFCDRN CCN(C)c1ccc(CN(C)Cc2ccon2)cc1 ZINC000773748789 627853021 /nfs/dbraw/zinc/85/30/21/627853021.db2.gz BBMNMDKSNCQPIN-UHFFFAOYSA-N 0 0 259.353 2.763 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccco1 ZINC000773748238 627853699 /nfs/dbraw/zinc/85/36/99/627853699.db2.gz IJXHLMKZTOJWEQ-MNOVXSKESA-N 0 0 289.331 2.542 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C=C1CCCC1 ZINC000773752240 627854456 /nfs/dbraw/zinc/85/44/56/627854456.db2.gz XNXYWNBEMFZBGP-NSHDSACASA-N 0 0 275.348 2.645 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000774042399 627880869 /nfs/dbraw/zinc/88/08/69/627880869.db2.gz CZYXCMHTIGQVBE-GFCCVEGCSA-N 0 0 270.332 2.549 20 10 CFCDRN COc1c([O-])c(C[NH+]2[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774913113 627978910 /nfs/dbraw/zinc/97/89/10/627978910.db2.gz QPEGUAGPEHMEDX-NXEZZACHSA-N 0 0 280.324 2.682 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000775042356 627986889 /nfs/dbraw/zinc/98/68/89/627986889.db2.gz YDMVUAXVUGUTKJ-SECBINFHSA-N 0 0 280.324 2.587 20 10 CFCDRN CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775063171 627989772 /nfs/dbraw/zinc/98/97/72/627989772.db2.gz NRJUYIGZYNVVGN-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC000775130023 627995775 /nfs/dbraw/zinc/99/57/75/627995775.db2.gz KVRBVVAHIRLIJN-ZDUSSCGKSA-N 0 0 294.358 2.824 20 10 CFCDRN C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775406573 628021597 /nfs/dbraw/zinc/02/15/97/628021597.db2.gz YKCFTLUKNJASER-GUYCJALGSA-N 0 0 298.386 2.663 20 10 CFCDRN C[C@@H](NC(=O)C(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775411618 628022459 /nfs/dbraw/zinc/02/24/59/628022459.db2.gz REIBPKMOGDYNDR-LLVKDONJSA-N 0 0 276.380 2.545 20 10 CFCDRN Cc1nnc(NCCCSc2nccs2)nc1C ZINC000775477226 628029434 /nfs/dbraw/zinc/02/94/34/628029434.db2.gz IETTXPULEYKDRP-UHFFFAOYSA-N 0 0 281.410 2.539 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(C)cc1 ZINC000775783375 628067002 /nfs/dbraw/zinc/06/70/02/628067002.db2.gz RCDOFIUPTNVSKL-JXMROGBWSA-N 0 0 297.358 2.860 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccc(C)c1 ZINC000775783071 628067106 /nfs/dbraw/zinc/06/71/06/628067106.db2.gz MXVNWLUWDFYULA-CMDGGOBGSA-N 0 0 297.358 2.860 20 10 CFCDRN CCOC(=O)[C@@H](CC)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775833619 628073915 /nfs/dbraw/zinc/07/39/15/628073915.db2.gz FLUJNEQZZRIUMX-IUODEOHRSA-N 0 0 278.396 2.745 20 10 CFCDRN CC[C@@]1(C)COCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000775979890 628090088 /nfs/dbraw/zinc/09/00/88/628090088.db2.gz CDBNDVKUJZFQIR-INIZCTEOSA-N 0 0 280.387 2.893 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776174484 628111315 /nfs/dbraw/zinc/11/13/15/628111315.db2.gz BKMOXMXIUZXQNB-CYBMUJFWSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@H](NC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776242857 628121129 /nfs/dbraw/zinc/12/11/29/628121129.db2.gz BHTHQNWKEFRRTO-NSHDSACASA-N 0 0 261.369 2.617 20 10 CFCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776248252 628121917 /nfs/dbraw/zinc/12/19/17/628121917.db2.gz LHFFWTDOQGVISM-WDEREUQCSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000776250033 628121946 /nfs/dbraw/zinc/12/19/46/628121946.db2.gz CYHJPWVRJQCYDK-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN CN(C)c1ccc(CNc2nc3ccccn3n2)cc1F ZINC000776265748 628123622 /nfs/dbraw/zinc/12/36/22/628123622.db2.gz OYVYTMAMXPJEOJ-UHFFFAOYSA-N 0 0 285.326 2.547 20 10 CFCDRN CC(C)(O)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000776264299 628123929 /nfs/dbraw/zinc/12/39/29/628123929.db2.gz PGQDCHUMUXYSLS-UHFFFAOYSA-N 0 0 291.372 2.611 20 10 CFCDRN Cc1cc(N(C)C)ccc1NC(=O)c1cccc(O)c1O ZINC000776336362 628132945 /nfs/dbraw/zinc/13/29/45/628132945.db2.gz KYWAGXIHYPEPDC-UHFFFAOYSA-N 0 0 286.331 2.725 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(Cl)Cl ZINC000776928320 628186532 /nfs/dbraw/zinc/18/65/32/628186532.db2.gz LDDGRKBPKWWBIW-UHFFFAOYSA-N 0 0 289.206 2.871 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1 ZINC000008170906 634636348 /nfs/dbraw/zinc/63/63/48/634636348.db2.gz APKVMICPTHJSJN-UHFFFAOYSA-N 0 0 290.313 2.961 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccco2)cc1 ZINC000008170721 634636444 /nfs/dbraw/zinc/63/64/44/634636444.db2.gz UULPECSYLVPTJY-MDZDMXLPSA-N 0 0 270.332 2.675 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC000778239814 628291212 /nfs/dbraw/zinc/29/12/12/628291212.db2.gz VBVBPDKIMDNWGM-YMTOWFKASA-N 0 0 283.318 2.914 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1ccncc1 ZINC000778326069 628297278 /nfs/dbraw/zinc/29/72/78/628297278.db2.gz XQELWKANZRIOAW-XQRVVYSFSA-N 0 0 299.326 2.682 20 10 CFCDRN O=C(/C=C/c1ccccc1F)NCc1ccc(O)c(O)c1 ZINC000778916907 628339635 /nfs/dbraw/zinc/33/96/35/628339635.db2.gz RCUDOITWKCXHMB-SOFGYWHQSA-N 0 0 287.290 2.567 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(F)cc(Cl)c1 ZINC000778925987 628340490 /nfs/dbraw/zinc/34/04/90/628340490.db2.gz PGNLVTZEKPAQHO-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)cc(F)c1[O-] ZINC000779065643 628349722 /nfs/dbraw/zinc/34/97/22/628349722.db2.gz NDZWHSIWLJMEHY-GXSJLCMTSA-N 0 0 293.317 2.533 20 10 CFCDRN Cc1nc(F)ccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000779205350 628360369 /nfs/dbraw/zinc/36/03/69/628360369.db2.gz WJXQSRXJKMKCJS-UXBLZVDNSA-N 0 0 294.376 2.893 20 10 CFCDRN CC[C@@]1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779527945 628386467 /nfs/dbraw/zinc/38/64/67/628386467.db2.gz NDWYUUSGTGQNGT-YERXGYGTSA-N 0 0 275.348 2.760 20 10 CFCDRN CC1(C)C(NC(=O)/C=C/c2ccc(O)c(O)c2)C1(C)C ZINC000779529446 628386634 /nfs/dbraw/zinc/38/66/34/628386634.db2.gz CJFIBOCAFLYAPP-SOFGYWHQSA-N 0 0 275.348 2.662 20 10 CFCDRN CCc1ncsc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779535203 628386878 /nfs/dbraw/zinc/38/68/78/628386878.db2.gz ATDRYFXPAJKSRH-GQCTYLIASA-N 0 0 290.344 2.769 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 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CFCDRN COc1ccc(CNC(=O)c2cccc3[nH]ccc32)c(O)c1 ZINC000794389319 629642692 /nfs/dbraw/zinc/64/26/92/629642692.db2.gz LCXUTAJALFNYOK-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(C)ccc2C)c(O)c1 ZINC000794389005 629642900 /nfs/dbraw/zinc/64/29/00/629642900.db2.gz GBMPEMOTISZSQD-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1ccc(CNC(=O)CCC(C)(C)C)c(O)c1 ZINC000794391468 629642921 /nfs/dbraw/zinc/64/29/21/629642921.db2.gz YAOXUICDPFRLNC-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000794386874 629643005 /nfs/dbraw/zinc/64/30/05/629643005.db2.gz DJNAUVFITDMGCB-NEPJUHHUSA-N 0 0 277.364 2.843 20 10 CFCDRN COCCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000794489558 629650511 /nfs/dbraw/zinc/65/05/11/629650511.db2.gz LXHMMMPGNUXVIR-UHFFFAOYSA-N 0 0 273.332 2.897 20 10 CFCDRN COc1ccc(CNC(=O)Nc2cccc(F)c2)c(O)c1 ZINC000794762741 629684918 /nfs/dbraw/zinc/68/49/18/629684918.db2.gz YRWDFQCMLQCVCU-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN COc1ccc(CNC(=O)Nc2ccc(F)cc2)c(O)c1 ZINC000794759639 629685082 /nfs/dbraw/zinc/68/50/82/629685082.db2.gz CMFGHWWLJSLXKY-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN CC[C@H](C)CCNC(=O)NCc1ccccc1O ZINC000852489610 634759454 /nfs/dbraw/zinc/75/94/54/634759454.db2.gz GFCFOCKKNTYOHR-NSHDSACASA-N 0 0 250.342 2.628 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795194110 629743703 /nfs/dbraw/zinc/74/37/03/629743703.db2.gz NVWYPAMDOZBLNX-AXUMYVEISA-N 0 0 290.319 2.768 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C=CCC1 ZINC000852505186 634763719 /nfs/dbraw/zinc/76/37/19/634763719.db2.gz RRIUCEUOTRJYMK-LLVKDONJSA-N 0 0 266.728 2.563 20 10 CFCDRN COC[C@H](C)OC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000867125731 629797353 /nfs/dbraw/zinc/79/73/53/629797353.db2.gz MSNQFDDRHGPINT-NWDGAFQWSA-N 0 0 280.368 2.575 20 10 CFCDRN CCOC1CC(CN(C)c2ccc(OC)c(OC)c2)C1 ZINC000795873732 629844675 /nfs/dbraw/zinc/84/46/75/629844675.db2.gz QFSUXFOTQZFHKG-UHFFFAOYSA-N 0 0 279.380 2.955 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(CCO)CCCC1 ZINC000796454112 629919834 /nfs/dbraw/zinc/91/98/34/629919834.db2.gz PPRKOTRGUCXOQN-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(F)cc1[O-] ZINC000796722635 629955303 /nfs/dbraw/zinc/95/53/03/629955303.db2.gz GYGTVDKMVGPZMV-OCCSQVGLSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(F)cc1[O-] ZINC000796765429 629962490 /nfs/dbraw/zinc/96/24/90/629962490.db2.gz ZDUVCGNNECSYCV-ZFWWWQNUSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796774994 629964111 /nfs/dbraw/zinc/96/41/11/629964111.db2.gz BEHPQTAHGSMKSC-TZMCWYRMSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000796849682 629979285 /nfs/dbraw/zinc/97/92/85/629979285.db2.gz VOYWEOGIAGYXLV-GXTWGEPZSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000796853724 629979941 /nfs/dbraw/zinc/97/99/41/629979941.db2.gz PZEHMEYHRVYRAX-ZDUSSCGKSA-N 0 0 263.316 2.506 20 10 CFCDRN CCN(C)c1ccc(CN[C@](C)(CCF)C(=O)OC)cc1 ZINC000852579169 634785391 /nfs/dbraw/zinc/78/53/91/634785391.db2.gz YBZNVYCEMSVINQ-MRXNPFEDSA-N 0 0 296.386 2.524 20 10 CFCDRN COc1cc(NS(=O)(=O)c2cccc(C)c2)ccc1O ZINC000797820070 630107797 /nfs/dbraw/zinc/10/77/97/630107797.db2.gz DZRAZIROUGNLIQ-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN C[C@@H]([NH2+]CCn1ccnc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179634 630160597 /nfs/dbraw/zinc/16/05/97/630160597.db2.gz IGKITRBYUOVXGL-SNVBAGLBSA-N 0 0 299.296 2.958 20 10 CFCDRN CSc1ccc(C=C2SC(=S)NC2=O)s1 ZINC000798232670 630169720 /nfs/dbraw/zinc/16/97/20/630169720.db2.gz ZODMRIZPHJBGBN-GQCTYLIASA-N 0 0 273.429 2.959 20 10 CFCDRN COc1ccc(O)c(CNc2ccc3[nH]c(=O)n(C)c3c2)c1 ZINC000799740616 630342061 /nfs/dbraw/zinc/34/20/61/630342061.db2.gz WBRCWBZSUGRHIV-UHFFFAOYSA-N 0 0 299.330 2.605 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC2(C(F)F)CC2)c1 ZINC000800502316 630393620 /nfs/dbraw/zinc/39/36/20/630393620.db2.gz RSNVVFSICWNNNV-MRVPVSSYSA-N 0 0 257.280 2.849 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccn1 ZINC000839915315 630399494 /nfs/dbraw/zinc/39/94/94/630399494.db2.gz ZMKUHXZHYIGHQA-CQSZACIVSA-N 0 0 297.402 2.817 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000839916299 630400182 /nfs/dbraw/zinc/40/01/82/630400182.db2.gz RHWVNOVMKDYEQG-XEZPLFJOSA-N 0 0 274.408 2.764 20 10 CFCDRN CS[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916546 630400361 /nfs/dbraw/zinc/40/03/61/630400361.db2.gz VHQQUCDXIVBQOU-QWHCGFSZSA-N 0 0 294.464 2.860 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccn(C)c1 ZINC000839918539 630401526 /nfs/dbraw/zinc/40/15/26/630401526.db2.gz BBICJKMWGOXDIT-CQSZACIVSA-N 0 0 299.418 2.761 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1OCC ZINC000801545978 630456890 /nfs/dbraw/zinc/45/68/90/630456890.db2.gz TZMCEOZEUWRVQC-HOCLYGCPSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCC[N@H+](Cc1nccn1C)Cc1ccccc1O ZINC000801598166 630462135 /nfs/dbraw/zinc/46/21/35/630462135.db2.gz WMRXVBLGIFPRAG-UHFFFAOYSA-N 0 0 273.380 2.928 20 10 CFCDRN C[C@H]1CC(CCNC(=O)C2=CC(=O)CS2)C[C@H](C)O1 ZINC000802672065 630537323 /nfs/dbraw/zinc/53/73/23/630537323.db2.gz BVXRFPOVRIFKEM-UWVGGRQHSA-N 0 0 283.393 2.777 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCCOC(C)(C)C)c1 ZINC000802783326 630546925 /nfs/dbraw/zinc/54/69/25/630546925.db2.gz NMUGJJIPWSUFMC-UHFFFAOYSA-N 0 0 295.379 2.612 20 10 CFCDRN Cc1nnc(CN(C)Cc2ccc(N(C)C)c(C)c2)s1 ZINC000852746955 634822126 /nfs/dbraw/zinc/82/21/26/634822126.db2.gz VNAJWTBHDBVHFP-UHFFFAOYSA-N 0 0 290.436 2.853 20 10 CFCDRN CC(C)SCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000803400521 630612855 /nfs/dbraw/zinc/61/28/55/630612855.db2.gz CJAJPNNGSWNHAZ-GQCTYLIASA-N 0 0 282.361 2.796 20 10 CFCDRN O=[N+]([O-])c1cccc(F)c1NCCc1ccc(O)c(O)c1 ZINC000804534816 630690788 /nfs/dbraw/zinc/69/07/88/630690788.db2.gz VZTALJVXVQPPTO-UHFFFAOYSA-N 0 0 292.266 2.800 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ncnn1CC)c1cccc(Cl)c1[O-] ZINC000806164166 630778170 /nfs/dbraw/zinc/77/81/70/630778170.db2.gz ZODNDKFWEAKKST-GFCCVEGCSA-N 0 0 294.786 2.898 20 10 CFCDRN C[C@@H](F)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000836243687 630779098 /nfs/dbraw/zinc/77/90/98/630779098.db2.gz FJRBSAYLNSHAIR-CYBMUJFWSA-N 0 0 293.386 2.834 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000806171161 630779270 /nfs/dbraw/zinc/77/92/70/630779270.db2.gz AUPXRPWQKQGRMV-MRVPVSSYSA-N 0 0 277.195 2.911 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000836320419 630791776 /nfs/dbraw/zinc/79/17/76/630791776.db2.gz KRKGOTUXLMLYKF-CVEARBPZSA-N 0 0 299.418 2.908 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]2C[C@H]21 ZINC000806433201 630799962 /nfs/dbraw/zinc/79/99/62/630799962.db2.gz RKSJLIHNEWUGBQ-DOTOQJQBSA-N 0 0 299.418 2.981 20 10 CFCDRN CC/C=C\CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000836571562 630851635 /nfs/dbraw/zinc/85/16/35/630851635.db2.gz FSAFZKSZKJBRIL-GZTOBOFZSA-N 0 0 278.352 2.727 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2=CC[C@@H](C)CC2)c1 ZINC000836778482 630880703 /nfs/dbraw/zinc/88/07/03/630880703.db2.gz XTFQHXXAAIKNTF-LLVKDONJSA-N 0 0 275.348 2.763 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000121472478 630905363 /nfs/dbraw/zinc/90/53/63/630905363.db2.gz VKAYNSWCEVHIFJ-RISCZKNCSA-N 0 0 292.379 2.779 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1O ZINC000836882635 630907523 /nfs/dbraw/zinc/90/75/23/630907523.db2.gz AVOKQRGCFPYRNT-KGLIPLIRSA-N 0 0 287.359 2.667 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1c(F)cncc1F ZINC000807755505 630909044 /nfs/dbraw/zinc/90/90/44/630909044.db2.gz ORAQHQZFGPGRGP-ZCFIWIBFSA-N 0 0 284.287 2.618 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C ZINC000840121723 630915851 /nfs/dbraw/zinc/91/58/51/630915851.db2.gz FKUAXVWWPLEIPV-PXAZEXFGSA-N 0 0 286.375 2.797 20 10 CFCDRN CC(=O)C(=O)COc1ccc(-c2ccccc2)cc1C=O ZINC000808021410 630943016 /nfs/dbraw/zinc/94/30/16/630943016.db2.gz LZPZJOSQXUOGSD-UHFFFAOYSA-N 0 0 282.295 2.703 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1scnc1C ZINC000808095223 630950317 /nfs/dbraw/zinc/95/03/17/630950317.db2.gz AALSGNUTCUITSJ-UHFFFAOYSA-N 0 0 297.376 2.573 20 10 CFCDRN O=C(NCC1(C2CCC2)CCC1)c1cccc(O)c1O ZINC000837217721 630979447 /nfs/dbraw/zinc/97/94/47/630979447.db2.gz PUCGBJMYPJUORI-UHFFFAOYSA-N 0 0 275.348 2.798 20 10 CFCDRN CC(C)n1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000808405498 630987702 /nfs/dbraw/zinc/98/77/02/630987702.db2.gz FFXYFPLOIYVTKK-ZDUSSCGKSA-N 0 0 287.411 2.776 20 10 CFCDRN CC(C)CCSCC(=O)NCc1ccc(N)cc1 ZINC000837303207 630993484 /nfs/dbraw/zinc/99/34/84/630993484.db2.gz ZBPVDNATDTXISN-UHFFFAOYSA-N 0 0 266.410 2.664 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000808488208 631001884 /nfs/dbraw/zinc/00/18/84/631001884.db2.gz PFWUQFBBANEXEN-UHFFFAOYSA-N 0 0 298.294 2.794 20 10 CFCDRN CC(=O)C(=O)COC(=O)CSc1ccc(C(C)C)cc1 ZINC000808505662 631004164 /nfs/dbraw/zinc/00/41/64/631004164.db2.gz KARIDIRQTYUCAX-UHFFFAOYSA-N 0 0 294.372 2.603 20 10 CFCDRN CC(=O)C(=O)COC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000808513535 631004765 /nfs/dbraw/zinc/00/47/65/631004765.db2.gz HVFRFLKQPQDVIE-JQWIXIFHSA-N 0 0 268.353 2.540 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCCCO2)c1 ZINC000837483458 631044021 /nfs/dbraw/zinc/04/40/21/631044021.db2.gz AMCFZLPDWMOMLF-MEDUHNTESA-N 0 0 293.363 2.537 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]1C1CC1 ZINC000837627193 631090940 /nfs/dbraw/zinc/09/09/40/631090940.db2.gz PRUCZGWUFJMKJI-KRWDZBQOSA-N 0 0 299.418 2.981 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837854390 631143326 /nfs/dbraw/zinc/14/33/26/631143326.db2.gz ZFYPBVYBOJOZIX-ZYHUDNBSSA-N 0 0 292.331 2.650 20 10 CFCDRN C[C@H]1CCC[C@]1(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837928788 631152590 /nfs/dbraw/zinc/15/25/90/631152590.db2.gz JOAKGZMYPMKDBN-QFYYESIMSA-N 0 0 292.331 2.650 20 10 CFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H](CF)C2)c1 ZINC000840172390 631219723 /nfs/dbraw/zinc/21/97/23/631219723.db2.gz WZGQRYHTQZAXFF-ZDUSSCGKSA-N 0 0 297.370 2.566 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840835722 631236152 /nfs/dbraw/zinc/23/61/52/631236152.db2.gz OSCNKVQHEWNSON-GHMZBOCLSA-N 0 0 282.340 2.624 20 10 CFCDRN CCO[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000042423874 649999201 /nfs/dbraw/zinc/99/92/01/649999201.db2.gz UXVUKYCTDQFJOH-AWEZNQCLSA-N 0 0 295.354 2.735 20 10 CFCDRN CC(C)n1[nH]cnc1=NCc1ccc(N2CCCCC2)cc1 ZINC000840886586 631252592 /nfs/dbraw/zinc/25/25/92/631252592.db2.gz HYQQULJSHHSDGA-UHFFFAOYSA-N 0 0 299.422 2.883 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000840908205 631258277 /nfs/dbraw/zinc/25/82/77/631258277.db2.gz PWVYSSWZWSCTMC-PHIMTYICSA-N 0 0 269.772 2.963 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CCC(CO)CC2)c(Cl)c1 ZINC000840910644 631261783 /nfs/dbraw/zinc/26/17/83/631261783.db2.gz VIFPAKINGPGYGR-UHFFFAOYSA-N 0 0 269.772 2.558 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2nccn2C)c(Cl)c1 ZINC000840936149 631268585 /nfs/dbraw/zinc/26/85/85/631268585.db2.gz FKYXZZGEKFTPAD-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(C)nn2)cc1F ZINC000840936160 631269246 /nfs/dbraw/zinc/26/92/46/631269246.db2.gz FQGVOPYDDVMLEA-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN CCCC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OC ZINC000840938315 631270083 /nfs/dbraw/zinc/27/00/83/631270083.db2.gz BMIJRPDXAMPAPM-INIZCTEOSA-N 0 0 292.423 2.882 20 10 CFCDRN COC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H](C)O1 ZINC000840940414 631272635 /nfs/dbraw/zinc/27/26/35/631272635.db2.gz YRBHYUGIGFMSGC-RYUDHWBXSA-N 0 0 299.798 2.590 20 10 CFCDRN Cc1cc(O)c(CN(C)C[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000840948855 631276816 /nfs/dbraw/zinc/27/68/16/631276816.db2.gz LRQFLFWRBNKFBA-LLVKDONJSA-N 0 0 297.704 2.709 20 10 CFCDRN CCOC(=O)c1cc(NCc2cc(C)ccc2O)cn1C ZINC000809757302 631282384 /nfs/dbraw/zinc/28/23/84/631282384.db2.gz YGKGGNRDWTUMMD-UHFFFAOYSA-N 0 0 288.347 2.828 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F ZINC000840965048 631287176 /nfs/dbraw/zinc/28/71/76/631287176.db2.gz ZUQFCAYPMWXQTQ-MRVPVSSYSA-N 0 0 292.257 2.979 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(C)C ZINC000840967488 631287774 /nfs/dbraw/zinc/28/77/74/631287774.db2.gz GFCYIUZJJCGUFB-OLZOCXBDSA-N 0 0 271.788 2.931 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCOCC(F)(F)C2)c1O ZINC000809787428 631288959 /nfs/dbraw/zinc/28/89/59/631288959.db2.gz CNDSFARGMFWPHO-UHFFFAOYSA-N 0 0 291.725 2.822 20 10 CFCDRN CC[C@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996731 631296943 /nfs/dbraw/zinc/29/69/43/631296943.db2.gz KAPZGSFTHLXLGR-AFNCTOJWSA-N 0 0 290.407 2.951 20 10 CFCDRN CC[C@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996734 631298271 /nfs/dbraw/zinc/29/82/71/631298271.db2.gz KAPZGSFTHLXLGR-UZYOAWRESA-N 0 0 290.407 2.951 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCSC2)cc1 ZINC000809966247 631306293 /nfs/dbraw/zinc/30/62/93/631306293.db2.gz WCZZLVJLZBUWTI-CQSZACIVSA-N 0 0 292.448 2.854 20 10 CFCDRN CCOc1ccc(CNc2ccc(N)c(OC)c2)c(O)c1 ZINC000841040909 631317630 /nfs/dbraw/zinc/31/76/30/631317630.db2.gz CKBREQSWWIIJGM-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841042214 631319121 /nfs/dbraw/zinc/31/91/21/631319121.db2.gz MZHPIARYXRRNDI-NSHDSACASA-N 0 0 291.395 2.538 20 10 CFCDRN C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841042212 631319859 /nfs/dbraw/zinc/31/98/59/631319859.db2.gz MZHPIARYXRRNDI-LLVKDONJSA-N 0 0 291.395 2.538 20 10 CFCDRN CCC[NH2+]CCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000841047055 631320599 /nfs/dbraw/zinc/32/05/99/631320599.db2.gz TWOPYZAWJJIPNR-UHFFFAOYSA-N 0 0 277.195 2.788 20 10 CFCDRN NC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000841087808 631335934 /nfs/dbraw/zinc/33/59/34/631335934.db2.gz QAMSECKEAZJQKF-CYBMUJFWSA-N 0 0 286.778 2.792 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841091517 631338147 /nfs/dbraw/zinc/33/81/47/631338147.db2.gz ZQEXTWFGFCLSPY-LLVKDONJSA-N 0 0 289.206 2.931 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000841121146 631343428 /nfs/dbraw/zinc/34/34/28/631343428.db2.gz LTLBAIJRZDYWOP-MRXNPFEDSA-N 0 0 292.423 2.738 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(F)cc(F)c1[O-] ZINC000810253626 631351196 /nfs/dbraw/zinc/35/11/96/631351196.db2.gz YYZIWWHAUAEZDM-PSASIEDQSA-N 0 0 293.317 2.602 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841187623 631355143 /nfs/dbraw/zinc/35/51/43/631355143.db2.gz YVQCNUUWPMZSHX-CZUORRHYSA-N 0 0 292.423 2.991 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@H](OC(F)F)C2)cc1 ZINC000841295539 631376105 /nfs/dbraw/zinc/37/61/05/631376105.db2.gz AUVMLXKQRTTYNM-NSHDSACASA-N 0 0 285.294 2.504 20 10 CFCDRN Nc1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000841299980 631377627 /nfs/dbraw/zinc/37/76/27/631377627.db2.gz PJANNWJJSAMFHU-UHFFFAOYSA-N 0 0 273.258 2.733 20 10 CFCDRN Cc1cccc(CCCNC(=O)Nc2ccc(N)cc2)n1 ZINC000841299698 631377837 /nfs/dbraw/zinc/37/78/37/631377837.db2.gz MSRJWYYESKNAEA-UHFFFAOYSA-N 0 0 284.363 2.727 20 10 CFCDRN Cc1noc(C)c1C(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000841300017 631378080 /nfs/dbraw/zinc/37/80/80/631378080.db2.gz QITNHGQTMZEBSE-UHFFFAOYSA-N 0 0 288.351 2.930 20 10 CFCDRN Nc1ccc(NC(=O)NCCC2CC(F)(F)C2)cc1 ZINC000841298891 631378256 /nfs/dbraw/zinc/37/82/56/631378256.db2.gz SVBGYLABEMMCNY-UHFFFAOYSA-N 0 0 269.295 2.826 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCOC3(CCC3)C2)cc1 ZINC000841300332 631378999 /nfs/dbraw/zinc/37/89/99/631378999.db2.gz UYJNZKSADRIICD-LBPRGKRZSA-N 0 0 289.379 2.740 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841617018 631432723 /nfs/dbraw/zinc/43/27/23/631432723.db2.gz CEHXZPJJXRBOJB-WFASDCNBSA-N 0 0 275.396 2.689 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000841705756 631456288 /nfs/dbraw/zinc/45/62/88/631456288.db2.gz WFNGFNAMQAUSBR-OAHLLOKOSA-N 0 0 299.374 2.781 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841736563 631462514 /nfs/dbraw/zinc/46/25/14/631462514.db2.gz CFRQFUCOPJNRFL-NEPJUHHUSA-N 0 0 263.385 2.545 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841749775 631464458 /nfs/dbraw/zinc/46/44/58/631464458.db2.gz QHOWCGOAKLYRGZ-RNCFNFMXSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747431 631464602 /nfs/dbraw/zinc/46/46/02/631464602.db2.gz AVVQLPMMCSLBTN-MHNGPXOMSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841752845 631466465 /nfs/dbraw/zinc/46/64/65/631466465.db2.gz QENIKVXHLJCUFJ-SNVBAGLBSA-N 0 0 279.771 2.672 20 10 CFCDRN CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757188 631468447 /nfs/dbraw/zinc/46/84/47/631468447.db2.gz FRFSGQVONIBKHI-GXSJLCMTSA-N 0 0 257.761 2.857 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])cc1F ZINC000841808861 631473794 /nfs/dbraw/zinc/47/37/94/631473794.db2.gz QJIMYZKZVTXDLW-NWDGAFQWSA-N 0 0 296.386 2.871 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C)CC(=O)[O-])cc1 ZINC000841811431 631474222 /nfs/dbraw/zinc/47/42/22/631474222.db2.gz CMCUCBVJRFGOMJ-CYBMUJFWSA-N 0 0 278.396 2.733 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000841821553 631475374 /nfs/dbraw/zinc/47/53/74/631475374.db2.gz HGQCGMHAXCOZQU-GDBMZVCRSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@H]1CCCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955107 631495775 /nfs/dbraw/zinc/49/57/75/631495775.db2.gz UXGRDXUHRGJKAX-ZDUSSCGKSA-N 0 0 275.396 2.785 20 10 CFCDRN CC(C)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954877 631495962 /nfs/dbraw/zinc/49/59/62/631495962.db2.gz QALYCIRGFBJLTO-HNNXBMFYSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@@H](c1ccccn1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957026 631496334 /nfs/dbraw/zinc/49/63/34/631496334.db2.gz LLLVGCGPINATKK-ZDUSSCGKSA-N 0 0 298.390 2.609 20 10 CFCDRN CC[C@H]1CC[C@@H](C)N1C(=O)NCCc1ccc(N)cc1 ZINC000841958980 631496824 /nfs/dbraw/zinc/49/68/24/631496824.db2.gz JOUYDNXOGNKNEK-DOMZBBRYSA-N 0 0 275.396 2.784 20 10 CFCDRN CO[C@H](CNC(=O)N(C)Cc1ccccc1O)CC(C)C ZINC000842186192 631563848 /nfs/dbraw/zinc/56/38/48/631563848.db2.gz CODDELKROBLGQP-AWEZNQCLSA-N 0 0 294.395 2.595 20 10 CFCDRN O=C(N[C@H](CO)CC1CCCCC1)C1=CC(=O)CS1 ZINC000842276580 631576963 /nfs/dbraw/zinc/57/69/63/631576963.db2.gz RLKZLVKYOUAORN-NSHDSACASA-N 0 0 283.393 2.515 20 10 CFCDRN Cc1ccc2c(c1)/C(=C/c1cccnc1)C(=O)N2C ZINC000811700370 631609001 /nfs/dbraw/zinc/60/90/01/631609001.db2.gz KSUVQUCGEBFAPQ-ZROIWOOFSA-N 0 0 250.301 2.907 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)C ZINC000840237114 631611887 /nfs/dbraw/zinc/61/18/87/631611887.db2.gz GJBARIFZWOAFGN-ZDUSSCGKSA-N 0 0 277.412 2.700 20 10 CFCDRN COc1ccc(O)c(CNc2cncc(OC(C)C)n2)c1 ZINC000811806170 631624871 /nfs/dbraw/zinc/62/48/71/631624871.db2.gz LFEBHNBLJDCFFQ-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN COc1ccc(O)c(CNc2nnc(C(C)C)s2)c1 ZINC000811805876 631625045 /nfs/dbraw/zinc/62/50/45/631625045.db2.gz FAZOTWWYTAPJRN-UHFFFAOYSA-N 0 0 279.365 2.988 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC(C)C ZINC000840239040 631634188 /nfs/dbraw/zinc/63/41/88/631634188.db2.gz XYQBQQFBYODWPP-AWEZNQCLSA-N 0 0 291.439 2.947 20 10 CFCDRN Cc1cc(CN2CN(C)C(=O)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000842643263 631689312 /nfs/dbraw/zinc/68/93/12/631689312.db2.gz YFGRKNXIBOGZQO-LBPRGKRZSA-N 0 0 290.407 2.618 20 10 CFCDRN CN(C)c1ccc(CNc2cn(C)nn2)c(C(F)(F)F)c1 ZINC000812345606 631694300 /nfs/dbraw/zinc/69/43/00/631694300.db2.gz GAMWZODDYGJYCB-UHFFFAOYSA-N 0 0 299.300 2.512 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)CC3CC3)C2)cc1 ZINC000842877241 631771815 /nfs/dbraw/zinc/77/18/15/631771815.db2.gz BGDUTZJFPAEDPZ-CQSZACIVSA-N 0 0 289.375 2.865 20 10 CFCDRN COCC1(CN2CCOc3cc(N(C)C)ccc32)CCC1 ZINC000812831114 631792981 /nfs/dbraw/zinc/79/29/81/631792981.db2.gz KWEJHYOMIMAPKS-UHFFFAOYSA-N 0 0 290.407 2.768 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000843043487 631811796 /nfs/dbraw/zinc/81/17/96/631811796.db2.gz VIJOUWBOVXLNQU-DOMZBBRYSA-N 0 0 289.379 2.692 20 10 CFCDRN C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1C[NH3+] ZINC000843051809 631817116 /nfs/dbraw/zinc/81/71/16/631817116.db2.gz MAYJDDLSVYYYEE-BXKDBHETSA-N 0 0 286.778 2.744 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C/c2cccs2)c1 ZINC000155945921 650037667 /nfs/dbraw/zinc/03/76/67/650037667.db2.gz ITECLLHNGQDJQD-FNORWQNLSA-N 0 0 289.356 2.792 20 10 CFCDRN COC1(c2ccccc2)CN(Cc2cc(F)ccc2O)C1 ZINC000813330590 631902980 /nfs/dbraw/zinc/90/29/80/631902980.db2.gz AFHHGPBSQHIEAE-UHFFFAOYSA-N 0 0 287.334 2.889 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccccc1O ZINC000155980284 650039345 /nfs/dbraw/zinc/03/93/45/650039345.db2.gz MVIIRIKSLCFUFA-DGCLKSJQSA-N 0 0 269.410 2.547 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000813525383 631929664 /nfs/dbraw/zinc/92/96/64/631929664.db2.gz RLMLEEDFKJJKHE-CYBMUJFWSA-N 0 0 298.386 2.736 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cncnc1OC ZINC000843409743 631946945 /nfs/dbraw/zinc/94/69/45/631946945.db2.gz LAOMYCGBHDADFG-UHFFFAOYSA-N 0 0 299.374 2.837 20 10 CFCDRN CC[C@H](C)C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000843415744 631947567 /nfs/dbraw/zinc/94/75/67/631947567.db2.gz NKTPAVVNGMZKGM-BBRMVZONSA-N 0 0 292.423 2.820 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@]2(CCSC2)C1 ZINC000843418086 631948481 /nfs/dbraw/zinc/94/84/81/631948481.db2.gz PYHJCSCMGJVEGB-AWEZNQCLSA-N 0 0 299.823 2.754 20 10 CFCDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCN(C)C1 ZINC000843421999 631951376 /nfs/dbraw/zinc/95/13/76/631951376.db2.gz JYYPFTXIDWQHOC-ZDUSSCGKSA-N 0 0 282.815 2.962 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)nnn2C ZINC000843422882 631952205 /nfs/dbraw/zinc/95/22/05/631952205.db2.gz ITRBWLMSUOSIIN-UHFFFAOYSA-N 0 0 295.390 2.955 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@@H]2CCc3ccccc3C2)cc1 ZINC000843442216 631960482 /nfs/dbraw/zinc/96/04/82/631960482.db2.gz KTGOPFIZNKZHDL-OAHLLOKOSA-N 0 0 294.398 2.733 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)c(O)c1O ZINC000813858858 631968162 /nfs/dbraw/zinc/96/81/62/631968162.db2.gz CSSCYYNFACLPQC-QMTHXVAHSA-N 0 0 299.326 2.658 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C2(F)CC2)C2CC2)cc1 ZINC000843526627 631976466 /nfs/dbraw/zinc/97/64/66/631976466.db2.gz DWLVRKHVPPKFBP-UHFFFAOYSA-N 0 0 276.355 2.746 20 10 CFCDRN S=C(NCc1ccc(N2CCCC2)cc1)NC1CCC1 ZINC000814193167 632029696 /nfs/dbraw/zinc/02/96/96/632029696.db2.gz LBIIMCRFUQVJBC-UHFFFAOYSA-N 0 0 289.448 2.803 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2(C(F)F)CC2)cc1 ZINC000843758478 632050097 /nfs/dbraw/zinc/05/00/97/632050097.db2.gz QBGRRWVWDUOLLM-UHFFFAOYSA-N 0 0 282.334 2.756 20 10 CFCDRN CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000814376436 632057654 /nfs/dbraw/zinc/05/76/54/632057654.db2.gz BCZLJYAYEJFNBB-GOEBONIOSA-N 0 0 290.407 2.574 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1(C(F)F)CC1 ZINC000843831985 632064213 /nfs/dbraw/zinc/06/42/13/632064213.db2.gz TXNCLHSNMBMSAE-UHFFFAOYSA-N 0 0 295.329 2.933 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCc2ccccc21 ZINC000843830324 632064219 /nfs/dbraw/zinc/06/42/19/632064219.db2.gz GTFJQRRIMIXZJO-SFHVURJKSA-N 0 0 297.354 2.618 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000814790664 632124559 /nfs/dbraw/zinc/12/45/59/632124559.db2.gz VNAMDFJHEFSIBH-JKSUJKDBSA-N 0 0 290.407 2.574 20 10 CFCDRN CC1(CC(F)F)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000844148478 632127451 /nfs/dbraw/zinc/12/74/51/632127451.db2.gz UECVNPVVWZDCBX-UHFFFAOYSA-N 0 0 261.293 2.571 20 10 CFCDRN CCc1cc(C(=O)NCCc2ccc(N)cc2)oc1CC ZINC000844164371 632130582 /nfs/dbraw/zinc/13/05/82/632130582.db2.gz BRKNNFPSWZKHMG-UHFFFAOYSA-N 0 0 286.375 2.959 20 10 CFCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCC(=O)N2)cc1 ZINC000844323946 632169677 /nfs/dbraw/zinc/16/96/77/632169677.db2.gz DUYRBRBMYDAVQT-AWEZNQCLSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1 ZINC000844352742 632176592 /nfs/dbraw/zinc/17/65/92/632176592.db2.gz FXBIGPPVYXPCIU-UHFFFAOYSA-N 0 0 271.364 2.793 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCc2ccccc2C)cc1 ZINC000844353042 632176823 /nfs/dbraw/zinc/17/68/23/632176823.db2.gz DRZATOZXVMKHFG-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN COC(=O)c1coc(CN(C)c2ccc(OC)cc2)c1 ZINC000844353527 632177541 /nfs/dbraw/zinc/17/75/41/632177541.db2.gz QUJXTCCKIWQQER-UHFFFAOYSA-N 0 0 275.304 2.711 20 10 CFCDRN COC(=O)c1occc1CN(C)c1ccc(OC)cc1 ZINC000844353122 632177749 /nfs/dbraw/zinc/17/77/49/632177749.db2.gz HJPXWCWXAHUCLL-UHFFFAOYSA-N 0 0 275.304 2.711 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)c[nH]1 ZINC000815008248 632187233 /nfs/dbraw/zinc/18/72/33/632187233.db2.gz ACBBGFOXUUSNTP-UHFFFAOYSA-N 0 0 287.338 2.684 20 10 CFCDRN Cc1cc(CN(C)[C@H](C)C(=O)OC(C)C)ccc1N(C)C ZINC000815060676 632192720 /nfs/dbraw/zinc/19/27/20/632192720.db2.gz BLNITHVTSDWLNM-CQSZACIVSA-N 0 0 292.423 2.833 20 10 CFCDRN COc1ccc(N(C)CCN(C)Cc2ncc(C)o2)cc1 ZINC000844400651 632194438 /nfs/dbraw/zinc/19/44/38/632194438.db2.gz FIKFTXCHOZOLSG-UHFFFAOYSA-N 0 0 289.379 2.560 20 10 CFCDRN CON(Cc1ccc(N(C)C)c(C)c1)CC1CCOCC1 ZINC000815111349 632203327 /nfs/dbraw/zinc/20/33/27/632203327.db2.gz AODVKRBHWGRDTN-UHFFFAOYSA-N 0 0 292.423 2.851 20 10 CFCDRN COCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000815147771 632217398 /nfs/dbraw/zinc/21/73/98/632217398.db2.gz GCTLCWFNEPIHMC-UHFFFAOYSA-N 0 0 294.351 2.597 20 10 CFCDRN COC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000844485978 632229240 /nfs/dbraw/zinc/22/92/40/632229240.db2.gz SFYPMMAWXSCMKC-XSNHNAGMSA-N 0 0 276.380 2.523 20 10 CFCDRN Cc1cc(C(=O)NOCC(C)C)c(C)n1-c1ccccn1 ZINC000156410665 650052922 /nfs/dbraw/zinc/05/29/22/650052922.db2.gz UJHFZHZQCHNHQT-UHFFFAOYSA-N 0 0 287.363 2.807 20 10 CFCDRN C[C@@H]([NH2+]Cc1nccn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815574997 632289871 /nfs/dbraw/zinc/28/98/71/632289871.db2.gz HWHRXQQPDXHTDH-SECBINFHSA-N 0 0 299.296 2.995 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598265 632295504 /nfs/dbraw/zinc/29/55/04/632295504.db2.gz QGKXUMOWEMLALP-BDAKNGLRSA-N 0 0 275.270 2.851 20 10 CFCDRN COc1ccncc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815630118 632301828 /nfs/dbraw/zinc/30/18/28/632301828.db2.gz XFBRRZSRRVDFFX-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844839828 632321536 /nfs/dbraw/zinc/32/15/36/632321536.db2.gz XNPSGSLLLZJRLV-GFCCVEGCSA-N 0 0 299.754 2.543 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844839829 632321623 /nfs/dbraw/zinc/32/16/23/632321623.db2.gz XNPSGSLLLZJRLV-LBPRGKRZSA-N 0 0 299.754 2.543 20 10 CFCDRN C/C=C/C=C/C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852511 632322758 /nfs/dbraw/zinc/32/27/58/632322758.db2.gz LTCJOLRGQIVYTI-BSWSSELBSA-N 0 0 288.391 2.722 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(C)ccc2C)c1O ZINC000105652334 632325892 /nfs/dbraw/zinc/32/58/92/632325892.db2.gz WLICCFPGRJHHQU-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1cccc(CNC(=O)Cc2cccc(C)c2)c1O ZINC000105650428 632325956 /nfs/dbraw/zinc/32/59/56/632325956.db2.gz SSUDZAHYEARBFS-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844904955 632332241 /nfs/dbraw/zinc/33/22/41/632332241.db2.gz FVDFSBJAJRKPAD-CYBMUJFWSA-N 0 0 272.323 2.658 20 10 CFCDRN [NH3+]CCC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000844911126 632333823 /nfs/dbraw/zinc/33/38/23/632333823.db2.gz KWNPOPKPNWDDKC-UHFFFAOYSA-N 0 0 286.778 2.746 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC1CC=CC1 ZINC000845055683 632364243 /nfs/dbraw/zinc/36/42/43/632364243.db2.gz DFXNLGJLROWWPH-UHFFFAOYSA-N 0 0 266.728 2.563 20 10 CFCDRN O=C(NCCCCF)NCc1cc(Cl)ccc1O ZINC000845212046 632383641 /nfs/dbraw/zinc/38/36/41/632383641.db2.gz UAJLJHITDIBVPU-UHFFFAOYSA-N 0 0 274.723 2.595 20 10 CFCDRN C[NH+](C)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816489117 632470224 /nfs/dbraw/zinc/47/02/24/632470224.db2.gz MQLPRCZFHNYMQJ-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000816549151 632481498 /nfs/dbraw/zinc/48/14/98/632481498.db2.gz GFJZOPQTUBLXOA-GFCCVEGCSA-N 0 0 298.789 2.759 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cscn1 ZINC000816553394 632483306 /nfs/dbraw/zinc/48/33/06/632483306.db2.gz UECZDAMCKNKHFO-UHFFFAOYSA-N 0 0 286.759 2.974 20 10 CFCDRN CC[C@]1(O)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816574474 632488309 /nfs/dbraw/zinc/48/83/09/632488309.db2.gz IZYYIHSDFIIXOD-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN COc1ccc(CNCc2c(F)ccc(O)c2F)c(O)c1 ZINC000816597307 632491703 /nfs/dbraw/zinc/49/17/03/632491703.db2.gz MQZGAJDLMJOJOY-UHFFFAOYSA-N 0 0 295.285 2.674 20 10 CFCDRN OCCN(Cc1ccc2ccccc2c1O)CC(F)F ZINC000816595744 632492017 /nfs/dbraw/zinc/49/20/17/632492017.db2.gz ZCOCPFOLYHONTD-UHFFFAOYSA-N 0 0 281.302 2.605 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCOC1 ZINC000816608440 632493240 /nfs/dbraw/zinc/49/32/40/632493240.db2.gz ZPUHWKQPGPNPCW-SNVBAGLBSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[C@H]1C[N@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000816660970 632507466 /nfs/dbraw/zinc/50/74/66/632507466.db2.gz WOIYTRDSDJHZAN-LBPRGKRZSA-N 0 0 268.788 2.572 20 10 CFCDRN Cc1nn(C)c2nccc(N(C)Cc3ccccc3O)c12 ZINC000817121419 632560460 /nfs/dbraw/zinc/56/04/60/632560460.db2.gz XLGHBSQOFXYVAW-UHFFFAOYSA-N 0 0 282.347 2.619 20 10 CFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](C)O ZINC000817298418 632598770 /nfs/dbraw/zinc/59/87/70/632598770.db2.gz LEGMJYKEOGHHBY-OCCSQVGLSA-N 0 0 263.381 2.711 20 10 CFCDRN CCCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000845931849 632599442 /nfs/dbraw/zinc/59/94/42/632599442.db2.gz TYTKCZAKHLAZNM-NSHDSACASA-N 0 0 279.380 2.971 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)OC2CCC2)cc1 ZINC000845987417 632609109 /nfs/dbraw/zinc/60/91/09/632609109.db2.gz HNXLSIXGHFRHFJ-UHFFFAOYSA-N 0 0 292.379 2.752 20 10 CFCDRN Cc1c(Cl)c(CNCc2ccc(N(C)C)cc2)nn1C ZINC000817407231 632621988 /nfs/dbraw/zinc/62/19/88/632621988.db2.gz GPENMZRMOJPICD-UHFFFAOYSA-N 0 0 292.814 2.738 20 10 CFCDRN CCc1ccncc1NCc1cc2c(cc1O)OCO2 ZINC000846070178 632628708 /nfs/dbraw/zinc/62/87/08/632628708.db2.gz IYBDIBGXETUJDT-UHFFFAOYSA-N 0 0 272.304 2.690 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)CCF ZINC000846096441 632630979 /nfs/dbraw/zinc/63/09/79/632630979.db2.gz HUFYXTFYCKNYKJ-SECBINFHSA-N 0 0 282.142 2.509 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(F)cc1[O-] ZINC000846214880 632663339 /nfs/dbraw/zinc/66/33/39/632663339.db2.gz XAWKFAUZNGBASA-HOCLYGCPSA-N 0 0 297.370 2.504 20 10 CFCDRN CON1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000817589681 632673282 /nfs/dbraw/zinc/67/32/82/632673282.db2.gz ZTOJUDHJHXZECS-JTQLQIEISA-N 0 0 284.787 2.722 20 10 CFCDRN Cc1cc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])ccc1N(C)C ZINC000846266400 632678700 /nfs/dbraw/zinc/67/87/00/632678700.db2.gz ZLWCSNNEZJGIRX-OAHLLOKOSA-N 0 0 290.407 2.890 20 10 CFCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(O)cc1O ZINC000867417332 632701467 /nfs/dbraw/zinc/70/14/67/632701467.db2.gz RVRWFAVTDIOMPI-JTQLQIEISA-N 0 0 267.325 2.759 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3ccnn3C)cc12 ZINC000817761455 632709216 /nfs/dbraw/zinc/70/92/16/632709216.db2.gz NBKXAAYOMBUTGJ-UHFFFAOYSA-N 0 0 283.331 2.748 20 10 CFCDRN CO[C@@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762893 632709484 /nfs/dbraw/zinc/70/94/84/632709484.db2.gz ZBCFHIMAKNMOET-NSHDSACASA-N 0 0 261.321 2.735 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474195 632715219 /nfs/dbraw/zinc/71/52/19/632715219.db2.gz RYUOMQIPRJYYKR-NWDGAFQWSA-N 0 0 267.756 2.954 20 10 CFCDRN CC[NH2+]CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951143 632751549 /nfs/dbraw/zinc/75/15/49/632751549.db2.gz AFDIKDSBGMPUNI-QMMMGPOBSA-N 0 0 277.195 2.959 20 10 CFCDRN CCCC[C@H](CN)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817962782 632761405 /nfs/dbraw/zinc/76/14/05/632761405.db2.gz PKUYFMLUGABZRG-MWLCHTKSSA-N 0 0 272.339 2.839 20 10 CFCDRN C[C@]1(CCNC(=O)Cc2ccc(N)cc2)C[C@@]1(F)Cl ZINC000846687992 632774374 /nfs/dbraw/zinc/77/43/74/632774374.db2.gz QFGXNTLTDINAEM-KBPBESRZSA-N 0 0 284.762 2.632 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2nccs2)cc1 ZINC000846750296 632784039 /nfs/dbraw/zinc/78/40/39/632784039.db2.gz ALIDXQFPWXAGOC-UHFFFAOYSA-N 0 0 277.393 2.724 20 10 CFCDRN CCOCCOCCN(C)c1ccc(OC)c(Cl)c1 ZINC000846753019 632785851 /nfs/dbraw/zinc/78/58/51/632785851.db2.gz YLFXJWPLBSYHQU-UHFFFAOYSA-N 0 0 287.787 2.838 20 10 CFCDRN COc1ccc(N(C)Cc2ccc3nonc3c2)cc1OC ZINC000846783879 632797284 /nfs/dbraw/zinc/79/72/84/632797284.db2.gz SGXQNEHOJVTGQL-UHFFFAOYSA-N 0 0 299.330 2.876 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000818358271 632837198 /nfs/dbraw/zinc/83/71/98/632837198.db2.gz SABSZMHBCNCDEK-IJLUTSLNSA-N 0 0 255.745 2.610 20 10 CFCDRN COc1ccc(CNC(=O)C2CCC3(CC3)CC2)c(O)c1 ZINC000846949651 632857110 /nfs/dbraw/zinc/85/71/10/632857110.db2.gz IOENVORBIPGBHC-UHFFFAOYSA-N 0 0 289.375 2.987 20 10 CFCDRN CCCC1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000818545232 632863602 /nfs/dbraw/zinc/86/36/02/632863602.db2.gz QUGGKGLYYJFAQM-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccnn2C2CCCC2)cc1 ZINC000818544858 632863666 /nfs/dbraw/zinc/86/36/66/632863666.db2.gz SEKYPJRXMXHFCY-UHFFFAOYSA-N 0 0 298.390 2.553 20 10 CFCDRN CCc1cccc(OCC(=O)NCCc2ccc(N)cc2)c1 ZINC000818546396 632864202 /nfs/dbraw/zinc/86/42/02/632864202.db2.gz XJQLULNSHMLRNF-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN CN(C[C@@H]1COCCO1)c1ccc(-c2nccs2)cc1 ZINC000846991657 632871288 /nfs/dbraw/zinc/87/12/88/632871288.db2.gz GLHPCEYTFBZKPB-CQSZACIVSA-N 0 0 290.388 2.662 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cc(F)ccc1O)C(=O)[O-] ZINC000818629979 632883118 /nfs/dbraw/zinc/88/31/18/632883118.db2.gz NIKNUHXSLSXFEH-UHFFFAOYSA-N 0 0 269.316 2.512 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000818630676 632884912 /nfs/dbraw/zinc/88/49/12/632884912.db2.gz ZWEAWJSKEMVPGJ-ZDUSSCGKSA-N 0 0 296.386 2.728 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631063 632884930 /nfs/dbraw/zinc/88/49/30/632884930.db2.gz BHMYPODHXAJSBL-ZANVPECISA-N 0 0 283.755 2.731 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1C ZINC000818631360 632884953 /nfs/dbraw/zinc/88/49/53/632884953.db2.gz GBFRZOJDMZMDNM-BONVTDFDSA-N 0 0 277.364 2.694 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000847074337 632911899 /nfs/dbraw/zinc/91/18/99/632911899.db2.gz AJTAWXCKKXMTJS-ZFWWWQNUSA-N 0 0 294.351 2.738 20 10 CFCDRN Cc1ncc(NC(=O)C2=CC(=O)CS2)c(C2CC2)n1 ZINC000847089030 632917281 /nfs/dbraw/zinc/91/72/81/632917281.db2.gz CZORHBWWUVJJJB-UHFFFAOYSA-N 0 0 275.333 2.682 20 10 CFCDRN CCC(CC)(CO)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000847304244 632970315 /nfs/dbraw/zinc/97/03/15/632970315.db2.gz KMYLBGGOXDKCRX-UHFFFAOYSA-N 0 0 292.423 2.510 20 10 CFCDRN COC[C@@H](CC(C)(C)C)NC(=O)NCc1ccccc1O ZINC000847302551 632970381 /nfs/dbraw/zinc/97/03/81/632970381.db2.gz OCUVIGXTKJGIGP-CYBMUJFWSA-N 0 0 294.395 2.643 20 10 CFCDRN CC(C)[C@H](C(=O)[O-])[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000819164187 632992228 /nfs/dbraw/zinc/99/22/28/632992228.db2.gz PSJZEAWMCXMCBS-WFASDCNBSA-N 0 0 278.396 2.588 20 10 CFCDRN CC(C)(C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165503 632993919 /nfs/dbraw/zinc/99/39/19/632993919.db2.gz ALZPYWPVEJEGRD-UHFFFAOYSA-N 0 0 290.363 2.593 20 10 CFCDRN O[C@H](CNc1ccccc1OCCF)CC(F)(F)F ZINC000819488571 633180456 /nfs/dbraw/zinc/18/04/56/633180456.db2.gz NKSJUGMIWDRQEN-VIFPVBQESA-N 0 0 281.249 2.760 20 10 CFCDRN CCCCCCOCC(=O)NCc1ccc(N(C)C)cc1 ZINC000107436667 633215732 /nfs/dbraw/zinc/21/57/32/633215732.db2.gz ABOGEUZTEJPCRB-UHFFFAOYSA-N 0 0 292.423 2.966 20 10 CFCDRN CC(C)(C)O[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000848391651 633247177 /nfs/dbraw/zinc/24/71/77/633247177.db2.gz MVHISQVIISDRCP-CZMCAQCFSA-N 0 0 269.366 2.530 20 10 CFCDRN Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848639087 633305964 /nfs/dbraw/zinc/30/59/64/633305964.db2.gz FQBVCAIHFMSSOQ-FPMFFAJLSA-N 0 0 291.391 2.926 20 10 CFCDRN CCc1cccc(CN2CCC[C@H]2c2ncon2)c1O ZINC000848884620 633360658 /nfs/dbraw/zinc/36/06/58/633360658.db2.gz IWVZOCIHKUWIOD-ZDUSSCGKSA-N 0 0 273.336 2.675 20 10 CFCDRN CCC[C@@](C)(NCc1cccc(CC)c1O)C(=O)OC ZINC000848891721 633379975 /nfs/dbraw/zinc/37/99/75/633379975.db2.gz YRNADXYCCXHXDC-MRXNPFEDSA-N 0 0 279.380 2.776 20 10 CFCDRN CCc1cccc(CN2C[C@@H](O)Cc3ccccc32)c1O ZINC000848907110 633393501 /nfs/dbraw/zinc/39/35/01/633393501.db2.gz ISPZVTQZOXFCEH-INIZCTEOSA-N 0 0 283.371 2.878 20 10 CFCDRN CCc1cccc(CNCc2noc(C3CC3)n2)c1O ZINC000848907544 633393607 /nfs/dbraw/zinc/39/36/07/633393607.db2.gz FPPYLWSTJAZYEX-UHFFFAOYSA-N 0 0 273.336 2.505 20 10 CFCDRN C/C=C(/C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585159 633395136 /nfs/dbraw/zinc/39/51/36/633395136.db2.gz XCCAGNKCKNHVHF-HNFXJGKRSA-N 0 0 288.391 2.604 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000819604297 633398717 /nfs/dbraw/zinc/39/87/17/633398717.db2.gz VYEVRNWZNRTDOK-XVMAMZMSSA-N 0 0 287.359 2.663 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccnn2CC2CC2)SC1=S ZINC000849175745 633580346 /nfs/dbraw/zinc/58/03/46/633580346.db2.gz SCQUYHIYTXTCRU-XFFZJAGNSA-N 0 0 293.417 2.514 20 10 CFCDRN O=S(=O)(CCCCF)Nc1ccc(O)cc1Cl ZINC000849308684 633612736 /nfs/dbraw/zinc/61/27/36/633612736.db2.gz UIKILLDONYHOOG-UHFFFAOYSA-N 0 0 281.736 2.537 20 10 CFCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCNC3=O)cc1C ZINC000849346837 633625021 /nfs/dbraw/zinc/62/50/21/633625021.db2.gz CXNAFQBBLZWEGC-UHFFFAOYSA-N 0 0 296.370 2.907 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)OC3CCC3)C2)cc1 ZINC000849417696 633632541 /nfs/dbraw/zinc/63/25/41/633632541.db2.gz YBPYIUAPJLQAKA-LBPRGKRZSA-N 0 0 290.363 2.553 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@H]2CNC(=O)C2)s1 ZINC000849888169 633753400 /nfs/dbraw/zinc/75/34/00/633753400.db2.gz ZJBYVYMIGJMILX-MRVPVSSYSA-N 0 0 270.423 2.669 20 10 CFCDRN FCCn1ncnc1CSc1ncc(Cl)s1 ZINC000850000374 633786932 /nfs/dbraw/zinc/78/69/32/633786932.db2.gz SLJNQLWFHHQQLN-UHFFFAOYSA-N 0 0 278.765 2.650 20 10 CFCDRN CN(C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000850000226 633787161 /nfs/dbraw/zinc/78/71/61/633787161.db2.gz MYJGCNROLOSPQV-UHFFFAOYSA-N 0 0 276.774 2.538 20 10 CFCDRN CCCNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999837 633787173 /nfs/dbraw/zinc/78/71/73/633787173.db2.gz ZSYVQADYHHDYDY-ZCFIWIBFSA-N 0 0 264.803 2.803 20 10 CFCDRN C[C@@H]1CN(CCSc2ncc(Cl)s2)C[C@H](C)O1 ZINC000850001943 633787451 /nfs/dbraw/zinc/78/74/51/633787451.db2.gz PQPXNHJUSQMHNN-DTORHVGOSA-N 0 0 292.857 2.998 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850360653 633955579 /nfs/dbraw/zinc/95/55/79/633955579.db2.gz LKPYJNZAGXFMRA-KYZUINATSA-N 0 0 273.735 2.842 20 10 CFCDRN CC([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])(C1CC1)C1CC1 ZINC000850398647 633976928 /nfs/dbraw/zinc/97/69/28/633976928.db2.gz QKBDUVRHQIWRNT-UHFFFAOYSA-N 0 0 276.336 2.969 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850533862 634039845 /nfs/dbraw/zinc/03/98/45/634039845.db2.gz CRPDQOMQEGRELO-MDZLAQPJSA-N 0 0 294.351 2.909 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(F)cc1[O-] ZINC000850545019 634046524 /nfs/dbraw/zinc/04/65/24/634046524.db2.gz DEHITPIRGBECMO-CFVMTHIKSA-N 0 0 279.355 2.876 20 10 CFCDRN Cc1cncc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000850550710 634049863 /nfs/dbraw/zinc/04/98/63/634049863.db2.gz PNTOAQXRQFTTIE-SNVBAGLBSA-N 0 0 293.317 2.662 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850579577 634059124 /nfs/dbraw/zinc/05/91/24/634059124.db2.gz ZGVFSWZCXGTIRV-BWZBUEFSSA-N 0 0 276.163 2.873 20 10 CFCDRN Cc1cc(CN2CCO[C@@](C)(C(F)F)C2)ccc1N(C)C ZINC000852783996 634834886 /nfs/dbraw/zinc/83/48/86/634834886.db2.gz AJYHMCMBVKWXKU-MRXNPFEDSA-N 0 0 298.377 2.917 20 10 CFCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@H]1c1ccncc1 ZINC000852872567 634852279 /nfs/dbraw/zinc/85/22/79/634852279.db2.gz HSHKRFGRTKWKLN-KRWDZBQOSA-N 0 0 295.386 2.816 20 10 CFCDRN Oc1ccccc1CNc1nccnc1OC1CCC1 ZINC000853244425 634949344 /nfs/dbraw/zinc/94/93/44/634949344.db2.gz LZQUYCIBDZVYBQ-UHFFFAOYSA-N 0 0 271.320 2.726 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)nn2)c1 ZINC000853269853 634956660 /nfs/dbraw/zinc/95/66/60/634956660.db2.gz ZJOHEOVJCQQTLG-SNVBAGLBSA-N 0 0 259.309 2.672 20 10 CFCDRN CCOc1cc(NCc2cc(OC)ccc2O)nc(C)n1 ZINC000853334409 634973130 /nfs/dbraw/zinc/97/31/30/634973130.db2.gz CXQOGJPICXVLAJ-UHFFFAOYSA-N 0 0 289.335 2.510 20 10 CFCDRN CC(C)(C)c1cc(NCCc2ccc(O)c(O)c2)ncn1 ZINC000853408906 634996364 /nfs/dbraw/zinc/99/63/64/634996364.db2.gz BDKZBQPXWRTJHV-UHFFFAOYSA-N 0 0 287.363 2.840 20 10 CFCDRN Cc1ccc(N(Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000853462593 635006542 /nfs/dbraw/zinc/00/65/42/635006542.db2.gz ZRJJYKPUUBWUJC-OAHLLOKOSA-N 0 0 299.374 2.676 20 10 CFCDRN Cc1nnc(CN(C)Cc2cc3c(cc2O)CCC3)s1 ZINC000853617756 635050671 /nfs/dbraw/zinc/05/06/71/635050671.db2.gz MIMBLTXOCAAKDN-UHFFFAOYSA-N 0 0 289.404 2.673 20 10 CFCDRN C[C@@]1(C(F)F)CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000853632229 635054469 /nfs/dbraw/zinc/05/44/69/635054469.db2.gz DFFGDBOCQGUAHA-INIZCTEOSA-N 0 0 297.345 2.737 20 10 CFCDRN CO[C@H](COc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000853675172 635070831 /nfs/dbraw/zinc/07/08/31/635070831.db2.gz OPVXPDJFOSFKRZ-RHSMWYFYSA-N 0 0 291.391 2.717 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3cccc(F)n3)C2)cc1 ZINC000853758417 635096775 /nfs/dbraw/zinc/09/67/75/635096775.db2.gz FSKFXPJCCNNBFE-LBPRGKRZSA-N 0 0 287.338 2.920 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC3CC2(C)C3)cc1OC ZINC000853997773 635187751 /nfs/dbraw/zinc/18/77/51/635187751.db2.gz PFCJSDAYLYKIAB-UHFFFAOYSA-N 0 0 278.308 2.601 20 10 CFCDRN O=C(N[C@@H]1CCc2ccccc2C1)C1=CC(=O)CS1 ZINC000854254363 635273110 /nfs/dbraw/zinc/27/31/10/635273110.db2.gz HXOSTMNHAGGAPE-GFCCVEGCSA-N 0 0 273.357 2.741 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000854271363 635277424 /nfs/dbraw/zinc/27/74/24/635277424.db2.gz DTMYKIVCNMPDCC-BBRMVZONSA-N 0 0 290.407 2.574 20 10 CFCDRN Cc1ccncc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854324125 635289893 /nfs/dbraw/zinc/28/98/93/635289893.db2.gz HCZYAZOGLMGUOD-UHFFFAOYSA-N 0 0 297.402 2.657 20 10 CFCDRN C[C@@H]1CCC(C)(C)N1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854898014 635417377 /nfs/dbraw/zinc/41/73/77/635417377.db2.gz MYQSIBDXNMDSDM-JPVGGKMYSA-N 0 0 275.348 2.901 20 10 CFCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000855023149 635443935 /nfs/dbraw/zinc/44/39/35/635443935.db2.gz SJESPLCNLFHEIN-DGCLKSJQSA-N 0 0 297.782 2.865 20 10 CFCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCCO1 ZINC000855022941 635444219 /nfs/dbraw/zinc/44/42/19/635444219.db2.gz NADCVXAEIXVKLV-IINYFYTJSA-N 0 0 297.782 2.867 20 10 CFCDRN CC[C@H](C)N(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855146646 635468923 /nfs/dbraw/zinc/46/89/23/635468923.db2.gz YQKFPVGDHVIWPE-DJYGCBNOSA-N 0 0 263.337 2.758 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC(C)C)C2)cc1 ZINC000855230782 635490097 /nfs/dbraw/zinc/49/00/97/635490097.db2.gz XZKYHLKNWFMCCS-CQSZACIVSA-N 0 0 290.407 2.826 20 10 CFCDRN CCC(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233012 635490210 /nfs/dbraw/zinc/49/02/10/635490210.db2.gz VNQRRFIDTQGASW-CQSZACIVSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3)C2)cc1 ZINC000855234893 635490799 /nfs/dbraw/zinc/49/07/99/635490799.db2.gz PNYZKRPAWQMXNC-HNNXBMFYSA-N 0 0 296.370 2.704 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCC1CCC1 ZINC000855801388 635654360 /nfs/dbraw/zinc/65/43/60/635654360.db2.gz LZDHRHRIHNZYGW-CLFYSBASSA-N 0 0 275.348 2.808 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000856278861 635772772 /nfs/dbraw/zinc/77/27/72/635772772.db2.gz VXPNGGWXFGUOAQ-FNORWQNLSA-N 0 0 299.317 2.909 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccccc2C)c1 ZINC000114541758 635837380 /nfs/dbraw/zinc/83/73/80/635837380.db2.gz IWTBQNGPRUBSBM-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN CCS[C@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000114544427 635838804 /nfs/dbraw/zinc/83/88/04/635838804.db2.gz GSWHFBYWPFMRCK-AWEZNQCLSA-N 0 0 297.420 2.795 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2ccccc2C)c1 ZINC000114544338 635838974 /nfs/dbraw/zinc/83/89/74/635838974.db2.gz RBMOKDZFPLRXHD-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C)nc2Cl)cc1OC ZINC000857038737 635913982 /nfs/dbraw/zinc/91/39/82/635913982.db2.gz CQQQGUVPMFRZNJ-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN CSCC1(CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000857309287 635963782 /nfs/dbraw/zinc/96/37/82/635963782.db2.gz ZCPDXAMHQIGWIZ-UHFFFAOYSA-N 0 0 299.367 2.500 20 10 CFCDRN O=S(=O)(NCc1ccccc1O)c1ccccc1Cl ZINC000158577368 650230303 /nfs/dbraw/zinc/23/03/03/650230303.db2.gz PDHGJLFJDIWDLS-UHFFFAOYSA-N 0 0 297.763 2.524 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC2(C)C)c1 ZINC000858215692 636157246 /nfs/dbraw/zinc/15/72/46/636157246.db2.gz MFOATKMESQRRFH-LBPRGKRZSA-N 0 0 262.353 2.546 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)C(C)C)c1 ZINC000858285685 636176172 /nfs/dbraw/zinc/17/61/72/636176172.db2.gz APIPQSPYBHKQFZ-LBPRGKRZSA-N 0 0 264.369 2.792 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCCS2)c1 ZINC000858296360 636180288 /nfs/dbraw/zinc/18/02/88/636180288.db2.gz NDMJEHXIZVVXLI-OAHLLOKOSA-N 0 0 294.420 2.786 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCSCC(C)C)c1 ZINC000858321780 636189079 /nfs/dbraw/zinc/18/90/79/636189079.db2.gz FKXUWSMOHPBSAW-UHFFFAOYSA-N 0 0 296.436 2.889 20 10 CFCDRN CN(C)c1ccc(CN(C)c2cc(Cl)nc(=O)[nH]2)cc1 ZINC000858323954 636190914 /nfs/dbraw/zinc/19/09/14/636190914.db2.gz PSCQQBTWRGOZCU-UHFFFAOYSA-N 0 0 292.770 2.538 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1Cl ZINC000158931387 650241549 /nfs/dbraw/zinc/24/15/49/650241549.db2.gz UHEATBHKODSDEU-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nccnc1F ZINC000858450611 636247649 /nfs/dbraw/zinc/24/76/49/636247649.db2.gz GMIATPQANWCLOA-UHFFFAOYSA-N 0 0 261.300 2.738 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000858473801 636261580 /nfs/dbraw/zinc/26/15/80/636261580.db2.gz QYNMDHOBJDUDCY-JSGCOSHPSA-N 0 0 293.338 2.834 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000858473805 636261692 /nfs/dbraw/zinc/26/16/92/636261692.db2.gz QYNMDHOBJDUDCY-TZMCWYRMSA-N 0 0 293.338 2.834 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(CCF)c2)c1 ZINC000858492547 636271723 /nfs/dbraw/zinc/27/17/23/636271723.db2.gz YYIKPTDTEMIJRB-SNVBAGLBSA-N 0 0 279.315 2.740 20 10 CFCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000858505491 636275942 /nfs/dbraw/zinc/27/59/42/636275942.db2.gz LCZUUMDVWSNIAY-ZWNOBZJWSA-N 0 0 293.338 2.834 20 10 CFCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858508381 636276867 /nfs/dbraw/zinc/27/68/67/636276867.db2.gz NIQSKSYJVWQNOK-KGLIPLIRSA-N 0 0 287.359 2.621 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC2(F)F)c1 ZINC000858516233 636280331 /nfs/dbraw/zinc/28/03/31/636280331.db2.gz ZFLSBNYDHOSKGF-GFCCVEGCSA-N 0 0 298.333 2.935 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000858535348 636284962 /nfs/dbraw/zinc/28/49/62/636284962.db2.gz WMAJUVFTKNVLAR-GDBMZVCRSA-N 0 0 276.380 2.934 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000858554056 636290505 /nfs/dbraw/zinc/29/05/05/636290505.db2.gz FJBUEFCXYVVOBO-UONOGXRCSA-N 0 0 274.364 2.688 20 10 CFCDRN C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858597376 636303966 /nfs/dbraw/zinc/30/39/66/636303966.db2.gz OZRPOBXEKLMDLO-QMMMGPOBSA-N 0 0 294.292 2.518 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000858597374 636304535 /nfs/dbraw/zinc/30/45/35/636304535.db2.gz OZRPOBXEKLMDLO-MRVPVSSYSA-N 0 0 294.292 2.518 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000858654902 636318066 /nfs/dbraw/zinc/31/80/66/636318066.db2.gz VHHLBNUQEKMHLB-MCIONIFRSA-N 0 0 288.391 2.936 20 10 CFCDRN COc1ccc(N(Cc2cncc(OC)n2)CC2CC2)cc1 ZINC000859323564 636541279 /nfs/dbraw/zinc/54/12/79/636541279.db2.gz AKRQBYZFFNBLFU-UHFFFAOYSA-N 0 0 299.374 2.910 20 10 CFCDRN CC(=O)Nc1nc(CSc2nccs2)cs1 ZINC000048875415 650281934 /nfs/dbraw/zinc/28/19/34/650281934.db2.gz NLRDGBHPTRWLPK-UHFFFAOYSA-N 0 0 271.392 2.850 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860048635 636768232 /nfs/dbraw/zinc/76/82/32/636768232.db2.gz YRFJAKCTFPRWFB-CGTJXYLNSA-N 0 0 293.366 2.937 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cccc(Cl)c1F ZINC000159864856 650282080 /nfs/dbraw/zinc/28/20/80/650282080.db2.gz ICUWWMUMOJCWQJ-QPJJXVBHSA-N 0 0 273.741 2.968 20 10 CFCDRN C/C(=C/C(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862028255 637266822 /nfs/dbraw/zinc/26/68/22/637266822.db2.gz VSFIOQACLDZROW-LUAWRHEFSA-N 0 0 282.343 2.913 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC1(O)CCCC1 ZINC000118783692 637284524 /nfs/dbraw/zinc/28/45/24/637284524.db2.gz OFTWCSWSKMUBTR-UHFFFAOYSA-N 0 0 291.391 2.826 20 10 CFCDRN CSc1ccccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000188247327 650320606 /nfs/dbraw/zinc/32/06/06/650320606.db2.gz XLHYUYNODYFQNW-UHFFFAOYSA-N 0 0 295.385 2.915 20 10 CFCDRN CN(C)c1cc(F)c(C[N@H+](C)CC2CCOCC2)cc1F ZINC000862242077 637296236 /nfs/dbraw/zinc/29/62/36/637296236.db2.gz VHECVXWRUPRWOH-UHFFFAOYSA-N 0 0 298.377 2.889 20 10 CFCDRN CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CCO)C2)cc1F ZINC000862240945 637296442 /nfs/dbraw/zinc/29/64/42/637296442.db2.gz QGUCMKUMMHVSBD-GFCCVEGCSA-N 0 0 298.377 2.625 20 10 CFCDRN CCc1ccc(C(=O)N(C)Cc2ccccc2O)c(O)c1 ZINC000188357873 650325555 /nfs/dbraw/zinc/32/55/55/650325555.db2.gz IWKVHNGINIZSHG-UHFFFAOYSA-N 0 0 285.343 2.932 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C)o2)cc1OC ZINC000862326230 637320494 /nfs/dbraw/zinc/32/04/94/637320494.db2.gz LFGWJZXCYQPTLL-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN CCOc1ccc(Cn2cnc3c2CCCC3)c(O)c1 ZINC000862431738 637375921 /nfs/dbraw/zinc/37/59/21/637375921.db2.gz SGOCEABJIYSNLJ-UHFFFAOYSA-N 0 0 272.348 2.915 20 10 CFCDRN COC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000862466573 637393544 /nfs/dbraw/zinc/39/35/44/637393544.db2.gz PFBUCXOZNGCXLR-SECBINFHSA-N 0 0 299.729 2.536 20 10 CFCDRN CCC(C)(C)OC1CN(Cc2c(O)cccc2OC)C1 ZINC000862469673 637396174 /nfs/dbraw/zinc/39/61/74/637396174.db2.gz AIGIQBBSVKBCOK-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCO[C@@H](CCF)C2)cc1 ZINC000862529939 637408798 /nfs/dbraw/zinc/40/87/98/637408798.db2.gz HWMNVYHENCALGX-LIMHQNJXSA-N 0 0 292.398 2.826 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000862753055 637478450 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0 0 273.336 2.640 20 10 CFCDRN CN(C(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc(N)cc1 ZINC000877078027 643139171 /nfs/dbraw/zinc/13/91/71/643139171.db2.gz AAACGMAIQMHTLW-UHFFFAOYSA-N 0 0 297.358 2.525 20 10 CFCDRN CCCn1nc(C)c(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000877077575 643139204 /nfs/dbraw/zinc/13/92/04/643139204.db2.gz NKFWPAVLDLQGEM-UHFFFAOYSA-N 0 0 286.379 2.769 20 10 CFCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)c1ccc(N)cc1)C2 ZINC000877077422 643139533 /nfs/dbraw/zinc/13/95/33/643139533.db2.gz HQZVWPPVGBFEID-QGZVFWFLSA-N 0 0 296.370 2.852 20 10 CFCDRN CN(C)Cc1ccsc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077687 643139574 /nfs/dbraw/zinc/13/95/74/643139574.db2.gz QYFQWAYMGXGYAB-UHFFFAOYSA-N 0 0 289.404 2.669 20 10 CFCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877131637 643169211 /nfs/dbraw/zinc/16/92/11/643169211.db2.gz GKPAIQCRVOGDBG-SKDRFNHKSA-N 0 0 271.307 2.575 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000877167108 643185409 /nfs/dbraw/zinc/18/54/09/643185409.db2.gz NCVBFAMRPFNEPS-ZWNOBZJWSA-N 0 0 285.334 2.653 20 10 CFCDRN COc1ccc(N(C)Cc2ccns2)cc1F ZINC000877181666 643192472 /nfs/dbraw/zinc/19/24/72/643192472.db2.gz PGYFXNOAIADOND-UHFFFAOYSA-N 0 0 252.314 2.927 20 10 CFCDRN C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@H]1C1CC1 ZINC000877316805 643234571 /nfs/dbraw/zinc/23/45/71/643234571.db2.gz PNQFTPAQLLCAHJ-GJZGRUSLSA-N 0 0 283.318 2.718 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccns1 ZINC000877373039 643249322 /nfs/dbraw/zinc/24/93/22/643249322.db2.gz MWUBTTWTDZNZOM-UHFFFAOYSA-N 0 0 275.377 2.608 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2conc2C)c1 ZINC000888746405 643267624 /nfs/dbraw/zinc/26/76/24/643267624.db2.gz PVJNVPPSBCXUFN-MRVPVSSYSA-N 0 0 291.307 2.580 20 10 CFCDRN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465250 643285949 /nfs/dbraw/zinc/28/59/49/643285949.db2.gz SCUCFSYOPRJKAY-BREBYQMCSA-N 0 0 285.334 2.652 20 10 CFCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877519342 643324403 /nfs/dbraw/zinc/32/44/03/643324403.db2.gz XOXOIYOIDYJWJE-DGCLKSJQSA-N 0 0 296.361 2.729 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000877535705 643338563 /nfs/dbraw/zinc/33/85/63/643338563.db2.gz RKQXGIZIHLHBAS-BMIGLBTASA-N 0 0 293.313 2.882 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000877535708 643338712 /nfs/dbraw/zinc/33/87/12/643338712.db2.gz RKQXGIZIHLHBAS-ZUZCIYMTSA-N 0 0 293.313 2.882 20 10 CFCDRN CC(C)(CO)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877541863 643344196 /nfs/dbraw/zinc/34/41/96/643344196.db2.gz UEXKJDFSUOMJNV-AWEZNQCLSA-N 0 0 285.334 2.557 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H](CO)C2CCCCC2)ccc(F)c1F ZINC000877551978 643352948 /nfs/dbraw/zinc/35/29/48/643352948.db2.gz GEOGKPKZIIMYNF-CYBMUJFWSA-N 0 0 299.361 2.949 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc(F)c1F ZINC000877563045 643363156 /nfs/dbraw/zinc/36/31/56/643363156.db2.gz FOORXDOELXFDHO-MRVWCRGKSA-N 0 0 297.345 2.796 20 10 CFCDRN CCn1cc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877573480 643372039 /nfs/dbraw/zinc/37/20/39/643372039.db2.gz YKMGLHYEOWOAHH-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN COCCCn1cc(C)c(NCc2ccc(C)cc2O)n1 ZINC000877620607 643406440 /nfs/dbraw/zinc/40/64/40/643406440.db2.gz UFWHGGAZCVIEPE-UHFFFAOYSA-N 0 0 289.379 2.854 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc2c(c1)CCN(C)C2=O ZINC000877627516 643411756 /nfs/dbraw/zinc/41/17/56/643411756.db2.gz UAHFBBZUPHUYNR-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN Cc1cccc(CNc2cncc(N(C)C)c2)c1O ZINC000877668528 643444314 /nfs/dbraw/zinc/44/43/14/643444314.db2.gz QSWZHJCYGLBABK-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877682086 643451053 /nfs/dbraw/zinc/45/10/53/643451053.db2.gz LNQPTCIPEWLBAM-WCPYMQEGSA-N 0 0 279.767 2.559 20 10 CFCDRN COCc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000877702558 643467351 /nfs/dbraw/zinc/46/73/51/643467351.db2.gz BKMLNNQITXXWOV-UHFFFAOYSA-N 0 0 259.305 2.647 20 10 CFCDRN COc1cccc(OC)c1CN1Cc2cccc(O)c2C1 ZINC000877702768 643467693 /nfs/dbraw/zinc/46/76/93/643467693.db2.gz HDBTWNOHUVFLIY-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN Oc1cccc2c1CN(Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000877703183 643469035 /nfs/dbraw/zinc/46/90/35/643469035.db2.gz UZSIVXNNCPQIDT-UHFFFAOYSA-N 0 0 283.253 2.650 20 10 CFCDRN Cn1cc(CN2Cc3cccc(O)c3C2)c(C(F)F)n1 ZINC000877703102 643469524 /nfs/dbraw/zinc/46/95/24/643469524.db2.gz RMQNXYUTPNNJHP-UHFFFAOYSA-N 0 0 279.290 2.579 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877777743 643553978 /nfs/dbraw/zinc/55/39/78/643553978.db2.gz DJFNVTBSNJXCBM-GZMMTYOYSA-N 0 0 275.751 2.824 20 10 CFCDRN CCOc1ccc([C@@H]2Nc3cc(C)ccc3C(=O)N2)c(O)c1 ZINC000877863908 643612363 /nfs/dbraw/zinc/61/23/63/643612363.db2.gz LFZGWPNUSOJUAQ-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN COc1cc(N(C)C[C@H]2C[C@@H](OC)C2)cc(OC)c1OC ZINC000878129162 643751006 /nfs/dbraw/zinc/75/10/06/643751006.db2.gz LVBUOKAPULVCCW-BJHJDKERSA-N 0 0 295.379 2.574 20 10 CFCDRN CN(C)c1ccc(CN(C)CC(=O)OC(C)(C)C)cc1F ZINC000126924378 643761769 /nfs/dbraw/zinc/76/17/69/643761769.db2.gz UNRIDWMQYBSPBL-UHFFFAOYSA-N 0 0 296.386 2.665 20 10 CFCDRN CCN(Cc1nccnc1C)c1ccc(OC)c(OC)c1 ZINC000878218319 643797243 /nfs/dbraw/zinc/79/72/43/643797243.db2.gz NLIVNXHXOGNJGY-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN CC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000878239937 643804760 /nfs/dbraw/zinc/80/47/60/643804760.db2.gz CCZRZWRTIUAREU-UHFFFAOYSA-N 0 0 259.305 2.576 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@H](OC)C2)c(OC)c1 ZINC000878294250 643826008 /nfs/dbraw/zinc/82/60/08/643826008.db2.gz FPEJAJPSGVKCJT-BJHJDKERSA-N 0 0 265.353 2.565 20 10 CFCDRN O=C(NCc1ccccc1O)c1ncsc1C1CC1 ZINC000878559538 643941585 /nfs/dbraw/zinc/94/15/85/643941585.db2.gz JXNUPCWQTIULPH-UHFFFAOYSA-N 0 0 274.345 2.656 20 10 CFCDRN NC(=O)c1ccc(F)c(NCc2c(O)cccc2Cl)c1 ZINC000127271870 643981000 /nfs/dbraw/zinc/98/10/00/643981000.db2.gz ZZSZQZRRXZJBFN-UHFFFAOYSA-N 0 0 294.713 2.896 20 10 CFCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000879208190 644176300 /nfs/dbraw/zinc/17/63/00/644176300.db2.gz UYDLPBFWUDUOHF-CXAGYDPISA-N 0 0 291.391 2.973 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247185612 650899853 /nfs/dbraw/zinc/89/98/53/650899853.db2.gz ZYGIGINPXXBFED-URLYPYJESA-N 0 0 282.434 2.788 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccnc1C ZINC000127693452 644245593 /nfs/dbraw/zinc/24/55/93/644245593.db2.gz JMTFOTBSAYEVDD-UHFFFAOYSA-N 0 0 254.333 2.961 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(C(N)=O)cc2)cc1F ZINC000127814999 644304794 /nfs/dbraw/zinc/30/47/94/644304794.db2.gz ZNCCEBDDEHHNJW-UHFFFAOYSA-N 0 0 287.338 2.603 20 10 CFCDRN CCCCOC(=O)[C@H](C)N[C@H](C)c1ccccc1O ZINC000879648263 644361297 /nfs/dbraw/zinc/36/12/97/644361297.db2.gz HQIFFLKNPRLWEF-NEPJUHHUSA-N 0 0 265.353 2.775 20 10 CFCDRN CCc1noc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879648740 644362860 /nfs/dbraw/zinc/36/28/60/644362860.db2.gz BSAWWRWPROTQHO-NXEZZACHSA-N 0 0 261.325 2.749 20 10 CFCDRN CC(C)c1nnc(CN[C@@H](C)c2ccccc2O)o1 ZINC000879651614 644365083 /nfs/dbraw/zinc/36/50/83/644365083.db2.gz DCKVZCHFLAGFGL-JTQLQIEISA-N 0 0 261.325 2.749 20 10 CFCDRN C[C@H](NCc1nc(C(C)(C)C)no1)c1ccccc1O ZINC000879652256 644366280 /nfs/dbraw/zinc/36/62/80/644366280.db2.gz BMRVOTQSXRZIKK-JTQLQIEISA-N 0 0 275.352 2.924 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000881280766 644943012 /nfs/dbraw/zinc/94/30/12/644943012.db2.gz RSMWJKPOQHNFOW-ZJUUUORDSA-N 0 0 285.338 2.766 20 10 CFCDRN CC(C)[C@@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881394503 644967353 /nfs/dbraw/zinc/96/73/53/644967353.db2.gz OTOOELYJJOXDFF-LLVKDONJSA-N 0 0 260.341 2.656 20 10 CFCDRN C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1O)C(C)(C)C ZINC000881461846 644980540 /nfs/dbraw/zinc/98/05/40/644980540.db2.gz IVUCAMXIZWAKDI-VIFPVBQESA-N 0 0 283.343 2.991 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC/C=C\c1ccccc1 ZINC000212111941 645226308 /nfs/dbraw/zinc/22/63/08/645226308.db2.gz LLQPRRPYPKDECU-SKQDYVHHSA-N 0 0 295.338 2.941 20 10 CFCDRN COC(=O)c1cccnc1CSc1nccs1 ZINC000304146134 651016227 /nfs/dbraw/zinc/01/62/27/651016227.db2.gz AEKKTAJUDSEIIW-UHFFFAOYSA-N 0 0 266.347 2.617 20 10 CFCDRN C[C@@H]1CCCCN1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882891202 645495373 /nfs/dbraw/zinc/49/53/73/645495373.db2.gz QIRIZCODFDDRJR-LLVKDONJSA-N 0 0 284.350 2.634 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1nccn1C(F)F ZINC000882934036 645516135 /nfs/dbraw/zinc/51/61/35/645516135.db2.gz WGOHXBWKYVOJRX-UHFFFAOYSA-N 0 0 289.232 2.552 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC000883015885 645563228 /nfs/dbraw/zinc/56/32/28/645563228.db2.gz HQUCZURREXLPBE-CQSZACIVSA-N 0 0 299.342 2.729 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC000883028845 645570546 /nfs/dbraw/zinc/57/05/46/645570546.db2.gz WDHLMBKUZWLXGJ-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1ccn(CC(F)F)n1 ZINC000883042817 645579124 /nfs/dbraw/zinc/57/91/24/645579124.db2.gz LHOWRRZPAUBIKU-UHFFFAOYSA-N 0 0 289.232 2.744 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000883076309 645593689 /nfs/dbraw/zinc/59/36/89/645593689.db2.gz ZPSZWWAUXPXOPQ-DFBGVHRSSA-N 0 0 295.329 2.718 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000883077121 645593839 /nfs/dbraw/zinc/59/38/39/645593839.db2.gz ZHTGYVFKVABIFD-OLZOCXBDSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCCCCC1 ZINC000883101439 645604816 /nfs/dbraw/zinc/60/48/16/645604816.db2.gz IGZUASBEEOAOJT-LBPRGKRZSA-N 0 0 292.379 2.614 20 10 CFCDRN CC1(C)CCCN1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883140511 645623193 /nfs/dbraw/zinc/62/31/93/645623193.db2.gz VVLJBVNNTZIXQF-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000883146332 645624485 /nfs/dbraw/zinc/62/44/85/645624485.db2.gz IZLJRLVWUXHHNS-PSLIRLAXSA-N 0 0 285.334 2.964 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000883272471 645714208 /nfs/dbraw/zinc/71/42/08/645714208.db2.gz NEFPRBXYSOWCKE-QXEWZRGKSA-N 0 0 271.307 2.746 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C=CCC1 ZINC000883421288 645815434 /nfs/dbraw/zinc/81/54/34/645815434.db2.gz HROBGPJFHWDTES-AWEZNQCLSA-N 0 0 287.407 2.826 20 10 CFCDRN COC[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000132564552 645935294 /nfs/dbraw/zinc/93/52/94/645935294.db2.gz YOCMWQIBOIUJBE-SECBINFHSA-N 0 0 288.185 2.588 20 10 CFCDRN O=C1N=C(NC2CC2)SC1=Cc1ccc2ncccc2c1 ZINC000028821252 645973766 /nfs/dbraw/zinc/97/37/66/645973766.db2.gz KTNZRGAQWVXOCA-ZROIWOOFSA-N 0 0 295.367 2.957 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@]2(C)CC2(C)C)c(O)c1 ZINC000883818642 645986551 /nfs/dbraw/zinc/98/65/51/645986551.db2.gz ZJFJVKGOCLFAQD-MRXNPFEDSA-N 0 0 292.379 2.636 20 10 CFCDRN CC[C@H](CSC)NC(=O)Nc1ccc(N)cc1 ZINC000133111240 646031785 /nfs/dbraw/zinc/03/17/85/646031785.db2.gz IOUHBTCJHJPDMP-SNVBAGLBSA-N 0 0 253.371 2.532 20 10 CFCDRN C=C/C=C/CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000883919602 646044771 /nfs/dbraw/zinc/04/47/71/646044771.db2.gz VRHOHXCPNNDCNP-ONEGZZNKSA-N 0 0 258.321 2.550 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(C2CCC2)c1 ZINC000889058446 646068852 /nfs/dbraw/zinc/06/88/52/646068852.db2.gz PBWCFDPYNNOCEJ-ALCCZGGFSA-N 0 0 299.330 2.671 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ncsc2C2CC2)cc1 ZINC000884028720 646120148 /nfs/dbraw/zinc/12/01/48/646120148.db2.gz PPMNKBQEDITNQO-UHFFFAOYSA-N 0 0 287.388 2.575 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H](F)C(F)(F)F ZINC000800186541 646177690 /nfs/dbraw/zinc/17/76/90/646177690.db2.gz FCNKQZVJAWJQOK-WUWIAWFRSA-N 0 0 294.200 2.555 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H](F)C(F)(F)F ZINC000800186545 646178131 /nfs/dbraw/zinc/17/81/31/646178131.db2.gz FCNKQZVJAWJQOK-YWNRKNDBSA-N 0 0 294.200 2.555 20 10 CFCDRN O=[N+]([O-])c1c(NCc2ccccc2O)nc2sccn21 ZINC000133739146 646218391 /nfs/dbraw/zinc/21/83/91/646218391.db2.gz LBAIOHQPQGLAFJ-UHFFFAOYSA-N 0 0 290.304 2.622 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccccc1F ZINC000133745688 646219667 /nfs/dbraw/zinc/21/96/67/646219667.db2.gz WLZMEOMXBXUDHG-UHFFFAOYSA-N 0 0 260.268 2.853 20 10 CFCDRN COc1cc(Cl)ccc1C(=O)NCc1ccccc1O ZINC000133746937 646220487 /nfs/dbraw/zinc/22/04/87/646220487.db2.gz LFABADBRKGMJTD-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2cc[nH]c2c1 ZINC000133756464 646221026 /nfs/dbraw/zinc/22/10/26/646221026.db2.gz GYZYHNTVJZGPBE-UHFFFAOYSA-N 0 0 266.300 2.804 20 10 CFCDRN Cc1ccc(F)cc1C(=O)NCc1ccccc1O ZINC000133764888 646226187 /nfs/dbraw/zinc/22/61/87/646226187.db2.gz PEUOOXDHWFUSDZ-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@@]23CCOC3)cc1F ZINC000886040413 646836506 /nfs/dbraw/zinc/83/65/06/646836506.db2.gz YCSLLXYTBVDRFN-XHDPSFHLSA-N 0 0 265.328 2.697 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886493504 647018787 /nfs/dbraw/zinc/01/87/87/647018787.db2.gz ODTRICJAALZQBX-OLZOCXBDSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1c([O-])cccc1F ZINC000886501328 647020968 /nfs/dbraw/zinc/02/09/68/647020968.db2.gz GEUHFLRLMCIGOF-MFKMUULPSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886512238 647023927 /nfs/dbraw/zinc/02/39/27/647023927.db2.gz AEIHJYPGXRKBFC-GHMZBOCLSA-N 0 0 253.317 2.751 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886519348 647026998 /nfs/dbraw/zinc/02/69/98/647026998.db2.gz TTZWURYYFWDYJS-SNVBAGLBSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@@H]([NH2+]CC1(O)CCCCC1)c1c([O-])cccc1F ZINC000886520803 647027108 /nfs/dbraw/zinc/02/71/08/647027108.db2.gz MYFUHLOVRJJAJW-LLVKDONJSA-N 0 0 267.344 2.877 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522948 647028160 /nfs/dbraw/zinc/02/81/60/647028160.db2.gz UFKWPZFPDITYNZ-GXSJLCMTSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1c([O-])cccc1F ZINC000886532280 647032371 /nfs/dbraw/zinc/03/23/71/647032371.db2.gz GTXQPCHDLWVCRC-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1c([O-])cccc1F ZINC000886540877 647037601 /nfs/dbraw/zinc/03/76/01/647037601.db2.gz MFJHYUZZPCPBAK-NWDGAFQWSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886543379 647039546 /nfs/dbraw/zinc/03/95/46/647039546.db2.gz NTCIQDDGNDDQHU-WOPDTQHZSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1c([O-])cccc1F ZINC000886551190 647043625 /nfs/dbraw/zinc/04/36/25/647043625.db2.gz DCTVEOBZDRKIIT-CABZTGNLSA-N 0 0 275.327 2.983 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886555015 647045286 /nfs/dbraw/zinc/04/52/86/647045286.db2.gz IUZZCSQTBOOEKW-SKDRFNHKSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1c([O-])cccc1F ZINC000886560012 647047109 /nfs/dbraw/zinc/04/71/09/647047109.db2.gz LCRXHRNTWGOGQK-OZVIIMIRSA-N 0 0 295.354 2.520 20 10 CFCDRN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1c([O-])cccc1F ZINC000886608812 647065415 /nfs/dbraw/zinc/06/54/15/647065415.db2.gz GFVZPBMSOYHHGR-YWVKMMECSA-N 0 0 255.358 2.933 20 10 CFCDRN COc1ccncc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886613779 647068309 /nfs/dbraw/zinc/06/83/09/647068309.db2.gz FAHSPGVKSRCGFR-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@H](CCO)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886615279 647068750 /nfs/dbraw/zinc/06/87/50/647068750.db2.gz CEDJSUUHSMNZLJ-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN CCC[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886616005 647069273 /nfs/dbraw/zinc/06/92/73/647069273.db2.gz SKMBVIYIMWZASV-WDEREUQCSA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@@H](N[C@H](C)c1c(O)cccc1F)c1ccn(C)n1 ZINC000886625076 647074220 /nfs/dbraw/zinc/07/42/20/647074220.db2.gz IETOLCHOIOEBRS-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H](N[C@@H](C)c1csnn1)c1c(O)cccc1F ZINC000886626918 647076229 /nfs/dbraw/zinc/07/62/29/647076229.db2.gz ODLPSNQJBDGHQW-JGVFFNPUSA-N 0 0 267.329 2.795 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886631026 647077119 /nfs/dbraw/zinc/07/71/19/647077119.db2.gz AMCRTQYKYGLRNL-DMDPSCGWSA-N 0 0 269.360 2.979 20 10 CFCDRN COCC1(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886629573 647077207 /nfs/dbraw/zinc/07/72/07/647077207.db2.gz IPGYHRRRHQLFTH-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886631029 647077292 /nfs/dbraw/zinc/07/72/92/647077292.db2.gz AMCRTQYKYGLRNL-LOWVWBTDSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886641886 647083753 /nfs/dbraw/zinc/08/37/53/647083753.db2.gz UVJKMMJYFQIYNZ-RYUDHWBXSA-N 0 0 267.344 2.999 20 10 CFCDRN CCC[C@H](CCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886644457 647084680 /nfs/dbraw/zinc/08/46/80/647084680.db2.gz DCQGWKBCLZDGEQ-GHMZBOCLSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC1(C)OCCO1 ZINC000886644427 647084717 /nfs/dbraw/zinc/08/47/17/647084717.db2.gz CQPKINVEJKWTJX-RYUDHWBXSA-N 0 0 297.370 2.971 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886644458 647084872 /nfs/dbraw/zinc/08/48/72/647084872.db2.gz DCQGWKBCLZDGEQ-MNOVXSKESA-N 0 0 255.333 2.733 20 10 CFCDRN O=C(N[C@]12C[C@H]1CCC2)c1cc2cc(O)c(O)cc2s1 ZINC000887032138 647191564 /nfs/dbraw/zinc/19/15/64/647191564.db2.gz AGOYERPUQWVIRG-RFAUZJTJSA-N 0 0 289.356 2.985 20 10 CFCDRN Cc1oc(NC(=O)C2=CC(=O)CS2)nc1C1CC1 ZINC000887241491 647247830 /nfs/dbraw/zinc/24/78/30/647247830.db2.gz SWXYNCCFZCIQOO-UHFFFAOYSA-N 0 0 264.306 2.880 20 10 CFCDRN CC(C)C[C@H]1C(=O)N[C@H](c2cc(Cl)ccc2O)N1C ZINC000887332631 647275475 /nfs/dbraw/zinc/27/54/75/647275475.db2.gz JNCDDKLVFHTIMR-AAEUAGOBSA-N 0 0 282.771 2.521 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2(C3CC3)CCC2)cc1 ZINC000887634200 647377074 /nfs/dbraw/zinc/37/70/74/647377074.db2.gz IHRMMVUXTRAUHQ-UHFFFAOYSA-N 0 0 287.407 2.885 20 10 CFCDRN Cc1ccc(C(=O)Nc2cccnc2C2CC2)c(O)c1O ZINC000889882412 647688443 /nfs/dbraw/zinc/68/84/43/647688443.db2.gz JCDRXOMWFGNSBT-UHFFFAOYSA-N 0 0 284.315 2.931 20 10 CFCDRN O=C(Nc1ccnn1C1CCC1)C1=CC(=O)CS1 ZINC000890359470 647785266 /nfs/dbraw/zinc/78/52/66/647785266.db2.gz OAZJDBNTDHESGT-UHFFFAOYSA-N 0 0 263.322 2.628 20 10 CFCDRN CC(C)(/C=C/Cl)NC(=O)Nc1ccc(N)cc1 ZINC000926146088 648416395 /nfs/dbraw/zinc/41/63/95/648416395.db2.gz YEQKGXCFXDEIBV-BQYQJAHWSA-N 0 0 253.733 2.921 20 10 CFCDRN Cc1cc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])nn1C ZINC000926912577 648654495 /nfs/dbraw/zinc/65/44/95/648654495.db2.gz XMYCPMDOMPOTGS-JTQLQIEISA-N 0 0 295.333 2.606 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCS1 ZINC000927253860 648745357 /nfs/dbraw/zinc/74/53/57/648745357.db2.gz QWGQCQYFOJKYQP-DGCLKSJQSA-N 0 0 294.420 2.818 20 10 CFCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000928040485 648847457 /nfs/dbraw/zinc/84/74/57/648847457.db2.gz PTGXHTQUYHDUIT-WRSRJMLGSA-N 0 0 286.335 2.623 20 10 CFCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1c(O)cccc1F ZINC000928705543 648944815 /nfs/dbraw/zinc/94/48/15/648944815.db2.gz JMYBOWUUEYFNER-ZETCQYMHSA-N 0 0 279.233 2.736 20 10 CFCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)C1CCC1 ZINC000928705692 648944993 /nfs/dbraw/zinc/94/49/93/648944993.db2.gz LCQCFZPNDUGQPQ-SECBINFHSA-N 0 0 251.301 2.584 20 10 CFCDRN CC(C)(C)OCCCC(=O)NCc1c(O)cccc1F ZINC000928707158 648945676 /nfs/dbraw/zinc/94/56/76/648945676.db2.gz BIUJWBQKQNKZOT-UHFFFAOYSA-N 0 0 283.343 2.743 20 10 CFCDRN CC/C(C)=C(/C)C(=O)NCc1c(O)cccc1F ZINC000928709003 648945842 /nfs/dbraw/zinc/94/58/42/648945842.db2.gz VFWCZROSIJIGEB-KTKRTIGZSA-N 0 0 251.301 2.894 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928709607 648946209 /nfs/dbraw/zinc/94/62/09/648946209.db2.gz JZKMQJSMTOSCTO-MWLCHTKSSA-N 0 0 265.328 2.830 20 10 CFCDRN CC1(C)CC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928712826 648946505 /nfs/dbraw/zinc/94/65/05/648946505.db2.gz VPMVEXMOOZLFFL-JTQLQIEISA-N 0 0 251.301 2.584 20 10 CFCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)c1ccncc1 ZINC000928712982 648946756 /nfs/dbraw/zinc/94/67/56/648946756.db2.gz ZEWYWWICJBIJGF-LLVKDONJSA-N 0 0 288.322 2.736 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCCCCNC(C)=O ZINC000929238289 649010815 /nfs/dbraw/zinc/01/08/15/649010815.db2.gz SVRLSNUTNXHAOP-UHFFFAOYSA-N 0 0 290.407 2.754 20 10 CFCDRN COC/C(C)=C\CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000929708541 649102831 /nfs/dbraw/zinc/10/28/31/649102831.db2.gz WOCKSRNZIFFICK-GHXNOFRVSA-N 0 0 295.379 2.741 20 10 CFCDRN COC/C(C)=C\CN(C)c1ccc(OC)c(F)c1 ZINC000929824248 649132118 /nfs/dbraw/zinc/13/21/18/649132118.db2.gz DTZCFVCQLIISNX-XFFZJAGNSA-N 0 0 253.317 2.863 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2CCC3)cc1F ZINC000931146545 649387361 /nfs/dbraw/zinc/38/73/61/649387361.db2.gz FUMWJPUMBUVVSA-MLGOLLRUSA-N 0 0 276.355 2.698 20 10 CFCDRN Cc1cc(CN2CCc3[nH+]ccc(N)c3C2)ccc1N(C)C ZINC000931518678 649446351 /nfs/dbraw/zinc/44/63/51/649446351.db2.gz QZBAIYYBYXLYNF-UHFFFAOYSA-N 0 0 296.418 2.597 20 10 CFCDRN c1cc(N2CCOCC2)ccc1CN1OC2CCC1CC2 ZINC000931571181 649456846 /nfs/dbraw/zinc/45/68/46/649456846.db2.gz HXIQZFCXLHTUMV-UHFFFAOYSA-N 0 0 288.391 2.582 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C\c1cn(C)cn1 ZINC000932852630 649651169 /nfs/dbraw/zinc/65/11/69/649651169.db2.gz UBKGWBQCBFFVCS-HJWRWDBZSA-N 0 0 281.359 2.721 20 10 CFCDRN Cc1cc(F)cc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC000933150417 649675468 /nfs/dbraw/zinc/67/54/68/649675468.db2.gz RPCSAZCTEVOCNI-AATRIKPKSA-N 0 0 299.349 2.860 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2O1 ZINC000933614179 649706812 /nfs/dbraw/zinc/70/68/12/649706812.db2.gz LCBIHXHXGADHKO-MYSGNRETSA-N 0 0 297.358 2.638 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934691752 649815973 /nfs/dbraw/zinc/81/59/73/649815973.db2.gz MXRPMENLTLPQOK-INIZCTEOSA-N 0 0 299.330 2.936 20 10 CFCDRN COc1ccc(CNC(C)(C)C(=O)OC(C)C)cc1C ZINC000934820902 649834294 /nfs/dbraw/zinc/83/42/94/649834294.db2.gz QONNGHLWQOVDQM-UHFFFAOYSA-N 0 0 279.380 2.823 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cc(Cl)ccc1N ZINC001243484380 782231331 /nfs/dbraw/zinc/23/13/31/782231331.db2.gz JGPJLGIMNZOUQA-UHFFFAOYSA-N 0 0 258.712 2.871 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2c(C)ccnc2F)nn1 ZINC001243552537 782274371 /nfs/dbraw/zinc/27/43/71/782274371.db2.gz VPDLCQHRDPBLIO-UHFFFAOYSA-N 0 0 283.310 2.695 20 10 CFCDRN COc1cc(O)c(CN2CC[C@@H]2C)cc1Br ZINC001233135224 777805515 /nfs/dbraw/zinc/80/55/15/777805515.db2.gz OXMIDJPIYUSTBG-QMMMGPOBSA-N 0 0 286.169 2.758 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@]12C[C@H]1CCCC2 ZINC000693144896 770269576 /nfs/dbraw/zinc/26/95/76/770269576.db2.gz YZGLSALTXQOJEG-CZUORRHYSA-N 0 0 259.349 2.931 20 10 CFCDRN COc1c(F)cccc1N(CCO)c1ccc(N)cc1 ZINC001210407690 770279375 /nfs/dbraw/zinc/27/93/75/770279375.db2.gz DFXMDZFPPMOQJT-UHFFFAOYSA-N 0 0 276.311 2.547 20 10 CFCDRN Cc1ccc(F)cc1C=C1SC(=S)NC1=O ZINC000588393703 770500215 /nfs/dbraw/zinc/50/02/15/770500215.db2.gz XEFOEWCZIMJEBA-WEVVVXLNSA-N 0 0 253.323 2.623 20 10 CFCDRN O=C(/C=C\C1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000588401147 770524713 /nfs/dbraw/zinc/52/47/13/770524713.db2.gz LQNDDTSXEZWMSY-CLFYSBASSA-N 0 0 275.348 2.851 20 10 CFCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000588403672 770531927 /nfs/dbraw/zinc/53/19/27/770531927.db2.gz UTDPRPAOVVYHLI-CUZBXDDWSA-N 0 0 283.327 2.988 20 10 CFCDRN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccncc1 ZINC000588406644 770537030 /nfs/dbraw/zinc/53/70/30/770537030.db2.gz VVOLYRJFWYNPSZ-SDQPKGBYSA-N 0 0 298.342 2.774 20 10 CFCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000588407972 770549218 /nfs/dbraw/zinc/54/92/18/770549218.db2.gz JCYKBXBXZJXYIP-GXMKHXEJSA-N 0 0 275.348 2.806 20 10 CFCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)n1 ZINC000588407752 770549603 /nfs/dbraw/zinc/54/96/03/770549603.db2.gz OJLDYADAKGTXFA-YVMONPNESA-N 0 0 284.315 2.762 20 10 CFCDRN COCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588596861 775249708 /nfs/dbraw/zinc/24/97/08/775249708.db2.gz KIHWAKVRVVFJDJ-UITAMQMPSA-N 0 0 299.326 2.896 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](CCO)C2CCCC2)ccc(F)c1F ZINC000725118981 775277184 /nfs/dbraw/zinc/27/71/84/775277184.db2.gz DMUUWYOPIKLRFV-ZDUSSCGKSA-N 0 0 285.334 2.701 20 10 CFCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000393741011 775501315 /nfs/dbraw/zinc/50/13/15/775501315.db2.gz BGGIKQCGMUGQTM-KWQFWETISA-N 0 0 257.786 2.887 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000294030709 775734641 /nfs/dbraw/zinc/73/46/41/775734641.db2.gz OFDNHIGFRKSDFB-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@H]1C[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC(C)(C)C1 ZINC001226466019 775834468 /nfs/dbraw/zinc/83/44/68/775834468.db2.gz ZFRODSBHONTCGF-YUMQZZPRSA-N 0 0 298.335 2.808 20 10 CFCDRN CCC[C@@H](C)[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466610 775834890 /nfs/dbraw/zinc/83/48/90/775834890.db2.gz BIYCONJXGURBAN-SFYZADRCSA-N 0 0 286.324 2.808 20 10 CFCDRN CCC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C(C)(C)C ZINC001226465094 775835002 /nfs/dbraw/zinc/83/50/02/775835002.db2.gz PKQZKCYEWVUZHQ-SSDOTTSWSA-N 0 0 286.324 2.808 20 10 CFCDRN CC/C=C(\C)[C@@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469501 775836078 /nfs/dbraw/zinc/83/60/78/775836078.db2.gz UVOJRNROCCSLJL-HYDMIIDASA-N 0 0 284.308 2.728 20 10 CFCDRN Cc1cccc2c1C(=O)N[C@H](c1ccc(N(C)C)cc1)N2 ZINC000123189121 776074398 /nfs/dbraw/zinc/07/43/98/776074398.db2.gz GYZXVUDULUSWBT-MRXNPFEDSA-N 0 0 281.359 2.915 20 10 CFCDRN CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1O ZINC000124691552 776214910 /nfs/dbraw/zinc/21/49/10/776214910.db2.gz LBGSAOZTLLVPPT-AWEZNQCLSA-N 0 0 288.734 2.924 20 10 CFCDRN O=C1C=CC(=NNc2ccccn2)C(OC2COC2)=C1 ZINC001227490120 776215299 /nfs/dbraw/zinc/21/52/99/776215299.db2.gz RLWMIWJWHRQOHP-WUKNDPDISA-N 0 0 271.276 2.980 20 10 CFCDRN CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccc(N(C)C)cc1 ZINC001227939144 776335066 /nfs/dbraw/zinc/33/50/66/776335066.db2.gz NDZLZGVXWRPAJU-GJZGRUSLSA-N 0 0 277.364 2.863 20 10 CFCDRN O=C1CC(Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001231265975 777181382 /nfs/dbraw/zinc/18/13/82/777181382.db2.gz MBXKGIOAYSEECA-UHFFFAOYSA-N 0 0 292.290 2.572 20 10 CFCDRN CC(C)OCCOc1cc(N(C)C)ccc1N=O ZINC001231286380 777184871 /nfs/dbraw/zinc/18/48/71/777184871.db2.gz BSHMCEURQIDTIT-UHFFFAOYSA-N 0 0 252.314 2.954 20 10 CFCDRN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CCC[C@@H]1C ZINC001231446407 777221989 /nfs/dbraw/zinc/22/19/89/777221989.db2.gz IPFOIKIKIJRSNP-RYUDHWBXSA-N 0 0 277.364 2.958 20 10 CFCDRN Cc1cccc2c1CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231445633 777222015 /nfs/dbraw/zinc/22/20/15/777222015.db2.gz AALFMSDEOOFVLP-UHFFFAOYSA-N 0 0 297.354 2.957 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC001231455970 777224443 /nfs/dbraw/zinc/22/44/43/777224443.db2.gz YVHXQVSNVOOHTG-UHFFFAOYSA-N 0 0 285.290 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001231566097 777260488 /nfs/dbraw/zinc/26/04/88/777260488.db2.gz QDFKPGLRFNRPBS-UHFFFAOYSA-N 0 0 287.315 2.848 20 10 CFCDRN C[N@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1O ZINC001231563213 777260843 /nfs/dbraw/zinc/26/08/43/777260843.db2.gz FTYRLQGTBBVION-UHFFFAOYSA-N 0 0 277.345 2.784 20 10 CFCDRN CC1(C)CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231564201 777260951 /nfs/dbraw/zinc/26/09/51/777260951.db2.gz OZVQFEPCUXMQMS-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231562078 777261383 /nfs/dbraw/zinc/26/13/83/777261383.db2.gz ZMMVLFYMEVUKKV-GHMZBOCLSA-N 0 0 263.337 2.853 20 10 CFCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590359 777271530 /nfs/dbraw/zinc/27/15/30/777271530.db2.gz VUPYEMLEWHONPR-GXTWGEPZSA-N 0 0 271.360 2.891 20 10 CFCDRN Cc1nc2c(o1)CCN(Cc1cccc(C)c1O)C2 ZINC001231594351 777273901 /nfs/dbraw/zinc/27/39/01/777273901.db2.gz BXVZLWYDWHJDKC-UHFFFAOYSA-N 0 0 258.321 2.555 20 10 CFCDRN Cc1cccc(CN(Cc2cocn2)Cc2cocn2)c1O ZINC001231594289 777273932 /nfs/dbraw/zinc/27/39/32/777273932.db2.gz DGOGZGLDPJJSLJ-UHFFFAOYSA-N 0 0 299.330 2.879 20 10 CFCDRN Cc1cc(C)c(CN2CC(F)(F)C[C@]2(C)CO)c(O)c1 ZINC001231843389 777347244 /nfs/dbraw/zinc/34/72/44/777347244.db2.gz XPAMVTYMJZVWKO-CQSZACIVSA-N 0 0 285.334 2.601 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](F)[C@H](F)C2)cc1Cl ZINC001231866996 777357306 /nfs/dbraw/zinc/35/73/06/777357306.db2.gz GFMNNLHENNWIGR-GHMZBOCLSA-N 0 0 261.699 2.846 20 10 CFCDRN CCCOC1CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870607 777358943 /nfs/dbraw/zinc/35/89/43/777358943.db2.gz LSRVFMGILRUWJU-UHFFFAOYSA-N 0 0 269.772 2.965 20 10 CFCDRN O=C1CCN(Cc2ccc3ccccc3c2O)CC1(F)F ZINC001231880270 777363226 /nfs/dbraw/zinc/36/32/26/777363226.db2.gz AXMWZTGWHIUBAG-UHFFFAOYSA-N 0 0 291.297 2.956 20 10 CFCDRN Oc1c(C[N@H+]2CCCC[C@@H](O)C2)ccc2ccccc21 ZINC001231879751 777363324 /nfs/dbraw/zinc/36/33/24/777363324.db2.gz QNGQZXLFEZMNFN-OAHLLOKOSA-N 0 0 271.360 2.892 20 10 CFCDRN Oc1c(CN2CC3(CCO3)C2)ccc2ccccc21 ZINC001231881121 777364693 /nfs/dbraw/zinc/36/46/93/777364693.db2.gz RKUATFIPFVJZLB-UHFFFAOYSA-N 0 0 255.317 2.520 20 10 CFCDRN CC[N@H+](CCn1cccn1)Cc1cccc(Cl)c1[O-] ZINC001231912787 777379752 /nfs/dbraw/zinc/37/97/52/777379752.db2.gz ZQCVQWLXVQYRIE-UHFFFAOYSA-N 0 0 279.771 2.764 20 10 CFCDRN CC[N@H+](CCCC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC001231909887 777381227 /nfs/dbraw/zinc/38/12/27/777381227.db2.gz SHCPNTHBDJBMCH-UHFFFAOYSA-N 0 0 285.771 2.821 20 10 CFCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231913263 777382316 /nfs/dbraw/zinc/38/23/16/777382316.db2.gz JZQKODAGRGGZPE-LLVKDONJSA-N 0 0 297.782 2.821 20 10 CFCDRN O=c1[nH]ccc2c1CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231914878 777383086 /nfs/dbraw/zinc/38/30/86/777383086.db2.gz UGAIJQOVCYNXFK-UHFFFAOYSA-N 0 0 290.750 2.705 20 10 CFCDRN Oc1cccc2c1C[N@H+](Cc1cccc3c[nH]nc31)CC2 ZINC001231974267 777398399 /nfs/dbraw/zinc/39/83/99/777398399.db2.gz ZKYIYVSMSWOCGY-UHFFFAOYSA-N 0 0 279.343 2.827 20 10 CFCDRN CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232268659 777501151 /nfs/dbraw/zinc/50/11/51/777501151.db2.gz PZFNHCLSOTXLCE-LLVKDONJSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)cc1Cl ZINC001232269444 777501305 /nfs/dbraw/zinc/50/13/05/777501305.db2.gz AQIZELUJGIPYKZ-NSHDSACASA-N 0 0 299.798 2.649 20 10 CFCDRN COc1cc(O)c(CN2Cc3ccncc3C2)cc1Cl ZINC001232270134 777501828 /nfs/dbraw/zinc/50/18/28/777501828.db2.gz UVHWFCFDDULDOZ-UHFFFAOYSA-N 0 0 290.750 2.965 20 10 CFCDRN COc1ccc(NCCc2cc(O)c(O)cc2O)c(C)c1 ZINC001168010640 777607796 /nfs/dbraw/zinc/60/77/96/777607796.db2.gz YMGLIGCWEDTNPT-UHFFFAOYSA-N 0 0 289.331 2.775 20 10 CFCDRN COc1cccc(C)c1NCCc1cc(O)c(O)cc1O ZINC001168014199 777638497 /nfs/dbraw/zinc/63/84/97/777638497.db2.gz PQDAMCAJJNENTD-UHFFFAOYSA-N 0 0 289.331 2.775 20 10 CFCDRN CN(Cc1cc(O)c(O)c(O)c1)Cc1cccc(F)c1F ZINC001233015126 777764454 /nfs/dbraw/zinc/76/44/54/777764454.db2.gz HBMFXQTZNWCGLN-UHFFFAOYSA-N 0 0 295.285 2.714 20 10 CFCDRN Oc1cc(CN2CCC[C@@H]2c2ccccn2)cc(O)c1O ZINC001233013775 777764760 /nfs/dbraw/zinc/76/47/60/777764760.db2.gz UCUZRQNSCMXPNE-CYBMUJFWSA-N 0 0 286.331 2.536 20 10 CFCDRN C[C@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CC[C@H]2O1 ZINC001233076812 777788680 /nfs/dbraw/zinc/78/86/80/777788680.db2.gz VIYOAIXZFKTIHA-XHVZSJERSA-N 0 0 283.318 2.670 20 10 CFCDRN [O-]c1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc(F)c1F ZINC001233078406 777788838 /nfs/dbraw/zinc/78/88/38/777788838.db2.gz VBCSKTXNDXFMDD-SECBINFHSA-N 0 0 289.322 2.700 20 10 CFCDRN CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079186 777789257 /nfs/dbraw/zinc/78/92/57/777789257.db2.gz YMLUOECXNWATEZ-LBPRGKRZSA-N 0 0 284.350 2.585 20 10 CFCDRN CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCN(C)CC1 ZINC001233080179 777789493 /nfs/dbraw/zinc/78/94/93/777789493.db2.gz RQQMMYYKFXMKNV-UHFFFAOYSA-N 0 0 298.377 2.975 20 10 CFCDRN CCCCC[NH+]1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077601 777789594 /nfs/dbraw/zinc/78/95/94/777789594.db2.gz TYZMBIVUBJOWJE-UHFFFAOYSA-N 0 0 298.377 2.978 20 10 CFCDRN Cc1cc(Br)cc(CN2CCCO2)c1O ZINC001233107530 777793391 /nfs/dbraw/zinc/79/33/91/777793391.db2.gz ZUIOITYLXOMGMS-UHFFFAOYSA-N 0 0 272.142 2.600 20 10 CFCDRN COc1cc(Cl)cc(CN(C)Cc2ccno2)c1O ZINC001233290426 777868479 /nfs/dbraw/zinc/86/84/79/777868479.db2.gz BLUYMQRESRBOOP-UHFFFAOYSA-N 0 0 282.727 2.674 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c1O ZINC001233288098 777869587 /nfs/dbraw/zinc/86/95/87/777869587.db2.gz WGAQWUYQPLBRJI-QWRGUYRKSA-N 0 0 299.798 2.647 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1C[C@@H](F)C[C@H]1CF ZINC001233332488 777890891 /nfs/dbraw/zinc/89/08/91/777890891.db2.gz MQLUIJINLRDOBU-YUMQZZPRSA-N 0 0 263.234 2.552 20 10 CFCDRN COC(=O)CN(Cc1c(O)ccc(F)c1F)C1CCCC1 ZINC001233335470 777892105 /nfs/dbraw/zinc/89/21/05/777892105.db2.gz WOBKHOMAGHEGIZ-UHFFFAOYSA-N 0 0 299.317 2.588 20 10 CFCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(N)n1 ZINC001233372961 777917329 /nfs/dbraw/zinc/91/73/29/777917329.db2.gz MTGFORWNALEKSQ-UHFFFAOYSA-N 0 0 284.407 2.752 20 10 CFCDRN Oc1c(CN2CCOCC23CC3)cccc1C(F)(F)F ZINC001233419125 777942796 /nfs/dbraw/zinc/94/27/96/777942796.db2.gz KJMZTCFTGVIFFC-UHFFFAOYSA-N 0 0 287.281 2.776 20 10 CFCDRN Oc1c(CN2CCn3cncc3C2)cccc1C(F)(F)F ZINC001233418568 777943184 /nfs/dbraw/zinc/94/31/84/777943184.db2.gz MDMCOEQYHJRPJS-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN C[C@@H]1COCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415941 777943247 /nfs/dbraw/zinc/94/32/47/777943247.db2.gz PFSALFNGVWTLBN-JTQLQIEISA-N 0 0 289.297 2.879 20 10 CFCDRN O=C1CCCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418696 777944295 /nfs/dbraw/zinc/94/42/95/777944295.db2.gz RJXIVQSAWIOAID-UHFFFAOYSA-N 0 0 273.254 2.576 20 10 CFCDRN COC[C@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419816 777944996 /nfs/dbraw/zinc/94/49/96/777944996.db2.gz NMKUTVZGCSAIJX-SNVBAGLBSA-N 0 0 275.270 2.632 20 10 CFCDRN [O-]c1c(C[NH+]2CC3(CSC3)C2)cccc1C(F)(F)F ZINC001233419377 777945445 /nfs/dbraw/zinc/94/54/45/777945445.db2.gz WCZIDVXOUQOMNM-UHFFFAOYSA-N 0 0 289.322 2.960 20 10 CFCDRN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452096 777957011 /nfs/dbraw/zinc/95/70/11/777957011.db2.gz KPOZKTKZHZCKJN-VIFPVBQESA-N 0 0 275.270 2.632 20 10 CFCDRN COC1(C)CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451828 777958243 /nfs/dbraw/zinc/95/82/43/777958243.db2.gz AOCKJCWPONQXCJ-UHFFFAOYSA-N 0 0 275.270 2.632 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001233455614 777960464 /nfs/dbraw/zinc/96/04/64/777960464.db2.gz RVELTWMFLYMWBS-VXGBXAGGSA-N 0 0 287.281 2.774 20 10 CFCDRN CC[C@@H](CC(=O)OC)Oc1ccc2c(c1)CCN2CC ZINC001233602296 778007956 /nfs/dbraw/zinc/00/79/56/778007956.db2.gz QNPMZBLYBIETDV-ZDUSSCGKSA-N 0 0 277.364 2.790 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3CCOC[C@@H]3C)ccc21 ZINC001233602697 778008502 /nfs/dbraw/zinc/00/85/02/778008502.db2.gz ZTHGGESQSRODBD-BLLLJJGKSA-N 0 0 261.365 2.873 20 10 CFCDRN CCN1CCc2cc(O[C@H]3COc4cnccc43)ccc21 ZINC001233602463 778008862 /nfs/dbraw/zinc/00/88/62/778008862.db2.gz VGBMCUHGXHANTJ-KRWDZBQOSA-N 0 0 282.343 2.977 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3COc4cnccc43)ccc21 ZINC001233602465 778009048 /nfs/dbraw/zinc/00/90/48/778009048.db2.gz VGBMCUHGXHANTJ-QGZVFWFLSA-N 0 0 282.343 2.977 20 10 CFCDRN CCN1CCc2cc(O[C@H](C)c3ncccn3)ccc21 ZINC001233606258 778010395 /nfs/dbraw/zinc/01/03/95/778010395.db2.gz AVZOFJSZJTVJRH-GFCCVEGCSA-N 0 0 269.348 2.999 20 10 CFCDRN O=c1cc2[nH]cnc(O[C@@H]3C[C@H]4CC[C@@H]3C4)c-2cc1O ZINC001233947860 778119143 /nfs/dbraw/zinc/11/91/43/778119143.db2.gz AFFMECGRMJQTGU-ATEUNZGCSA-N 0 0 272.304 2.608 20 10 CFCDRN O=c1cc2[nH]cnc(OC3CCCCC3)c-2cc1O ZINC001233949777 778120229 /nfs/dbraw/zinc/12/02/29/778120229.db2.gz NIYXSXGWVKQSBE-UHFFFAOYSA-N 0 0 260.293 2.753 20 10 CFCDRN C[C@H](COC(C)(C)C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233949997 778120302 /nfs/dbraw/zinc/12/03/02/778120302.db2.gz QMPUOFHOTACQJG-SECBINFHSA-N 0 0 292.335 2.623 20 10 CFCDRN O=c1cc2[nH]cnc(O[C@H]3CCCC[C@@H]3F)c-2cc1O ZINC001233949039 778120516 /nfs/dbraw/zinc/12/05/16/778120516.db2.gz UKEMEYDBXCWRCZ-ZANVPECISA-N 0 0 278.283 2.701 20 10 CFCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1nccs1 ZINC001233948050 778120686 /nfs/dbraw/zinc/12/06/86/778120686.db2.gz CMDYBPMDTXYPQF-ZETCQYMHSA-N 0 0 289.316 2.638 20 10 CFCDRN CC[C@@H](C)[C@@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948810 778120741 /nfs/dbraw/zinc/12/07/41/778120741.db2.gz MKVGSHKOXAQOHY-RKDXNWHRSA-N 0 0 262.309 2.854 20 10 CFCDRN O=c1cc2[nH]cnc(O[C@H]3C=CCCC3)c-2cc1O ZINC001233949609 778120785 /nfs/dbraw/zinc/12/07/85/778120785.db2.gz LMOFGIXQNNWVAV-VIFPVBQESA-N 0 0 258.277 2.529 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccccn1 ZINC001234473381 778233716 /nfs/dbraw/zinc/23/37/16/778233716.db2.gz FRFPMDMOWACURU-SNVBAGLBSA-N 0 0 273.288 2.835 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccncc1F ZINC001234475365 778233920 /nfs/dbraw/zinc/23/39/20/778233920.db2.gz GJBHYZUFRHMWSZ-VIFPVBQESA-N 0 0 291.278 2.975 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccncc1F ZINC001234475364 778234217 /nfs/dbraw/zinc/23/42/17/778234217.db2.gz GJBHYZUFRHMWSZ-SECBINFHSA-N 0 0 291.278 2.975 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(NC[C@H]2COCCO2)cc1 ZINC001168268186 778319557 /nfs/dbraw/zinc/31/95/57/778319557.db2.gz YWAGGTUIAWOARS-KRWDZBQOSA-N 0 0 286.375 2.921 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235117591 778389033 /nfs/dbraw/zinc/38/90/33/778389033.db2.gz KDMVZZZMQQEUJL-HNNXBMFYSA-N 0 0 280.799 2.764 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H](C)C1 ZINC001142534408 778403901 /nfs/dbraw/zinc/40/39/01/778403901.db2.gz IKKLVMCKLXZHOO-ONGXEEELSA-N 0 0 271.307 2.670 20 10 CFCDRN CNc1ccccc1N[C@H]1C[C@@H](C(=O)OC)C1(C)C ZINC001168341288 778442253 /nfs/dbraw/zinc/44/22/53/778442253.db2.gz QXHOLIQJYGAWHA-GWCFXTLKSA-N 0 0 262.353 2.728 20 10 CFCDRN Cc1cnc(F)c(CN(C)Cc2ccccc2O)c1 ZINC001235346915 778464138 /nfs/dbraw/zinc/46/41/38/778464138.db2.gz WRIXZCDHQKUKGD-UHFFFAOYSA-N 0 0 260.312 2.867 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1cscn1 ZINC000697818186 778468891 /nfs/dbraw/zinc/46/88/91/778468891.db2.gz CIWHQKFHHNBKTC-JTQLQIEISA-N 0 0 260.362 2.929 20 10 CFCDRN CN(Cc1cc(F)cc(Cl)c1[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001236206050 778734735 /nfs/dbraw/zinc/73/47/35/778734735.db2.gz IJVCIVAZVQRWHP-AWEZNQCLSA-N 0 0 286.778 2.759 20 10 CFCDRN Cc1cc2c(cn1)CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001232262921 778914163 /nfs/dbraw/zinc/91/41/63/778914163.db2.gz WCWICNGYCSOFBL-UHFFFAOYSA-N 0 0 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ZINC001237078359 779007373 /nfs/dbraw/zinc/00/73/73/779007373.db2.gz QAMABOSWIZPMKX-KCJUWKMLSA-N 0 0 290.190 2.902 20 10 CFCDRN CCN(CC(=O)OC)Cc1c(O)ccc(Cl)c1Cl ZINC001237085775 779008970 /nfs/dbraw/zinc/00/89/70/779008970.db2.gz IBTXUZYDRPVEKJ-UHFFFAOYSA-N 0 0 292.162 2.694 20 10 CFCDRN CC1(C)CN(Cc2c(O)ccc(F)c2Cl)CCO1 ZINC001237119189 779018121 /nfs/dbraw/zinc/01/81/21/779018121.db2.gz BQEIOTGVMCDVRQ-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN CN(Cc1c(O)cccc1OC(F)(F)F)CC(F)F ZINC001237126314 779021950 /nfs/dbraw/zinc/02/19/50/779021950.db2.gz XTCAZRJDYZRDDL-UHFFFAOYSA-N 0 0 285.212 2.988 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)O ZINC001237621873 779146219 /nfs/dbraw/zinc/14/62/19/779146219.db2.gz HYGBUFWXGPHTCB-UHFFFAOYSA-N 0 0 275.751 2.778 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237622759 779147484 /nfs/dbraw/zinc/14/74/84/779147484.db2.gz YZGYOWUSFSUJCH-ZANVPECISA-N 0 0 285.746 2.796 20 10 CFCDRN Cc1cc(Cl)cc(CN(C)Cc2ncccn2)c1O ZINC001237681273 779160181 /nfs/dbraw/zinc/16/01/81/779160181.db2.gz MJESXENPDASOEN-UHFFFAOYSA-N 0 0 277.755 2.776 20 10 CFCDRN C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001237799821 779181544 /nfs/dbraw/zinc/18/15/44/779181544.db2.gz IHQSBMPHGFROKF-PWSUYJOCSA-N 0 0 298.789 2.568 20 10 CFCDRN CC[N@H+]1C[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237804133 779183675 /nfs/dbraw/zinc/18/36/75/779183675.db2.gz XYFGSGYRQNDYBJ-TXEJJXNPSA-N 0 0 298.789 2.568 20 10 CFCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815201 779186930 /nfs/dbraw/zinc/18/69/30/779186930.db2.gz WWXQFZWEBOUEMF-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237933562 779210340 /nfs/dbraw/zinc/21/03/40/779210340.db2.gz CRPPRKDXPCTAIX-DXBFQKDVSA-N 0 0 273.710 2.975 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]12 ZINC001237943187 779212768 /nfs/dbraw/zinc/21/27/68/779212768.db2.gz LGONNSFEALOVOD-KOLCDFICSA-N 0 0 297.757 2.986 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237948617 779214646 /nfs/dbraw/zinc/21/46/46/779214646.db2.gz FNODBEYZBYVNNN-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN CC[N@H+](CCCC(=O)OC)Cc1cc(F)cc(C)c1O ZINC001238057294 779241392 /nfs/dbraw/zinc/24/13/92/779241392.db2.gz KCFUIZROKVBLOA-UHFFFAOYSA-N 0 0 283.343 2.615 20 10 CFCDRN CC(=O)[C@H]1CCCCN1Cc1cc(F)cc(C)c1O ZINC001238068825 779245672 /nfs/dbraw/zinc/24/56/72/779245672.db2.gz FZYOOMMRGMZXKY-CQSZACIVSA-N 0 0 265.328 2.783 20 10 CFCDRN CCn1ccc(-c2cc3ccccc3[nH]c2=O)cc1=O ZINC001238884174 779413339 /nfs/dbraw/zinc/41/33/39/779413339.db2.gz PMEWEBAEUWXZBN-UHFFFAOYSA-N 0 0 266.300 2.789 20 10 CFCDRN Oc1cc(Br)ccc1CN1CC[C@@H](F)C1 ZINC000691679584 779504917 /nfs/dbraw/zinc/50/49/17/779504917.db2.gz KEDWYESBESQEJW-SNVBAGLBSA-N 0 0 274.133 2.699 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1ccc(C)nc1C ZINC001239441163 779568514 /nfs/dbraw/zinc/56/85/14/779568514.db2.gz FJUFXGUMENXRFX-UHFFFAOYSA-N 0 0 282.347 2.757 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)c(C)n1 ZINC001239469239 779580486 /nfs/dbraw/zinc/58/04/86/779580486.db2.gz YIYOLUYUJBHCCO-UHFFFAOYSA-N 0 0 291.354 2.970 20 10 CFCDRN COc1cc(O)c(CN2CCOC[C@@H]2C(C)C)c(Cl)c1 ZINC001236801268 779641086 /nfs/dbraw/zinc/64/10/86/779641086.db2.gz DIYQTTIIBSJJPR-CQSZACIVSA-N 0 0 299.798 2.911 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001237933669 779724271 /nfs/dbraw/zinc/72/42/71/779724271.db2.gz FMYQEZTUHLNHRB-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN COCCN(C(=O)/C=C(/C)c1cnccn1)c1ccccc1 ZINC001272740502 779755079 /nfs/dbraw/zinc/75/50/79/779755079.db2.gz MAYFONAHGRHTQQ-OWBHPGMISA-N 0 0 297.358 2.560 20 10 CFCDRN COCCN(C(=O)/C=C(\C)c1cnccn1)c1ccccc1 ZINC001272740504 779755147 /nfs/dbraw/zinc/75/51/47/779755147.db2.gz MAYFONAHGRHTQQ-WYMLVPIESA-N 0 0 297.358 2.560 20 10 CFCDRN CCCn1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001240133919 779958364 /nfs/dbraw/zinc/95/83/64/779958364.db2.gz XCFRESMITFICEL-UHFFFAOYSA-N 0 0 257.337 2.532 20 10 CFCDRN Cc1c(F)cccc1-c1noc(-c2csnn2)n1 ZINC001212361705 779993320 /nfs/dbraw/zinc/99/33/20/779993320.db2.gz BRYYKYOEHAAWDL-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN COc1ccc(Cl)cc1-c1noc(-c2csnn2)n1 ZINC001212362164 779994199 /nfs/dbraw/zinc/99/41/99/779994199.db2.gz PEBHCVQRAINGBQ-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN FC(F)Oc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362456 779994634 /nfs/dbraw/zinc/99/46/34/779994634.db2.gz VSOWCNRCYFAGKA-UHFFFAOYSA-N 0 0 296.258 2.857 20 10 CFCDRN Fc1ccc(-c2noc(-c3csnn3)n2)c(F)c1F ZINC001212362088 779994765 /nfs/dbraw/zinc/99/47/65/779994765.db2.gz LZUXEGWIARZLNU-UHFFFAOYSA-N 0 0 284.222 2.672 20 10 CFCDRN COC(=O)c1cnc(-c2ccc(C)nc2)c2ccn(C)c21 ZINC001240221375 780009256 /nfs/dbraw/zinc/00/92/56/780009256.db2.gz RZCFXLRLUXVEDP-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN COc1ccc(-c2noc(-c3nnsc3C)n2)c(F)c1 ZINC001212404916 780094709 /nfs/dbraw/zinc/09/47/09/780094709.db2.gz BHPDCLHJTXEJJM-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN CCOc1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212405000 780095005 /nfs/dbraw/zinc/09/50/05/780095005.db2.gz DIAJVJMBIDMSKW-UHFFFAOYSA-N 0 0 288.332 2.962 20 10 CFCDRN CCOc1cccc([C@H]2NC(=O)c3cccc(C)c3N2)c1O ZINC000027578094 780128398 /nfs/dbraw/zinc/12/83/98/780128398.db2.gz BAVVYAFPNWECII-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN CCOc1ncccc1-c1nc(C)nc2c1ccn2C ZINC001240493464 780199581 /nfs/dbraw/zinc/19/95/81/780199581.db2.gz HQYWMNCXMRWLFU-UHFFFAOYSA-N 0 0 268.320 2.737 20 10 CFCDRN CC(C)n1cc(-c2ccc3ccn(C)c3c2)ncc1=O ZINC001240576832 780267074 /nfs/dbraw/zinc/26/70/74/780267074.db2.gz MTVKYLIXTDCCTR-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN Cn1ccc2ccc(-c3c[nH]c4coc(=O)c-4c3)cc21 ZINC001240576088 780267696 /nfs/dbraw/zinc/26/76/96/780267696.db2.gz CBIHHNRIMVOSSU-UHFFFAOYSA-N 0 0 264.284 2.911 20 10 CFCDRN CCn1ccc(-c2ccc(N3CCCCC3)nc2)cc1=O ZINC001240585760 780272178 /nfs/dbraw/zinc/27/21/78/780272178.db2.gz RYDXJXMRJZEEDA-UHFFFAOYSA-N 0 0 283.375 2.921 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnc(C2CC2)nc1 ZINC001240681781 780354271 /nfs/dbraw/zinc/35/42/71/780354271.db2.gz NZXDIADOJHUWEC-UHFFFAOYSA-N 0 0 250.305 2.908 20 10 CFCDRN Cn1ccc2ncc(-c3cnc(C4CC4)nc3)cc21 ZINC001240686200 780358974 /nfs/dbraw/zinc/35/89/74/780358974.db2.gz QGTXHSOOJSFNRI-UHFFFAOYSA-N 0 0 250.305 2.908 20 10 CFCDRN Oc1c(F)cc(F)cc1Nc1ccnc2cccnc21 ZINC001212479652 780394003 /nfs/dbraw/zinc/39/40/03/780394003.db2.gz JYOBFHVMLQWIMY-UHFFFAOYSA-N 0 0 273.242 2.779 20 10 CFCDRN Cc1ncccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001240730058 780396616 /nfs/dbraw/zinc/39/66/16/780396616.db2.gz FQFMMCYYETXSHZ-UHFFFAOYSA-N 0 0 268.238 2.781 20 10 CFCDRN Cn1ccc(-c2cnc(-c3ccccc3)cn2)cc1=O ZINC001240977706 780566368 /nfs/dbraw/zinc/56/63/68/780566368.db2.gz DQUVNBNADWVVQD-UHFFFAOYSA-N 0 0 263.300 2.509 20 10 CFCDRN COC(=O)c1cnc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241337839 780792794 /nfs/dbraw/zinc/79/27/94/780792794.db2.gz IDMSTQHPSYBOCZ-UHFFFAOYSA-N 0 0 295.342 2.557 20 10 CFCDRN COc1ncnc(OC)c1C1=CCN(c2ccccc2)CC1 ZINC001241356214 780804893 /nfs/dbraw/zinc/80/48/93/780804893.db2.gz WNHWKZIIAVOWKU-UHFFFAOYSA-N 0 0 297.358 2.788 20 10 CFCDRN CCc1cncc(-c2ncc(C(=O)OC)c3c2ccn3C)c1 ZINC001241365396 780816817 /nfs/dbraw/zinc/81/68/17/780816817.db2.gz BPQOBHSQESJGMA-UHFFFAOYSA-N 0 0 295.342 2.984 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001137831651 780857471 /nfs/dbraw/zinc/85/74/71/780857471.db2.gz IOUAPLNFKDPXLI-IAQYHMDHSA-N 0 0 265.328 2.532 20 10 CFCDRN CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000702071620 780870676 /nfs/dbraw/zinc/87/06/76/780870676.db2.gz PUEXDQJRSNYZHZ-CYBMUJFWSA-N 0 0 277.412 2.790 20 10 CFCDRN C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703275027 781001467 /nfs/dbraw/zinc/00/14/67/781001467.db2.gz QFEBWNNCOKCOEA-OIBJUYFYSA-N 0 0 259.321 2.512 20 10 CFCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703272883 781001561 /nfs/dbraw/zinc/00/15/61/781001561.db2.gz IDNAZHSJJMASDM-MWLCHTKSSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CS1 ZINC000703284158 781002145 /nfs/dbraw/zinc/00/21/45/781002145.db2.gz CGTWNNZZXHPTBT-APPZFPTMSA-N 0 0 259.321 2.654 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258457 781005194 /nfs/dbraw/zinc/00/51/94/781005194.db2.gz GIJQMZZNSPAXCY-GFCCVEGCSA-N 0 0 273.323 2.557 20 10 CFCDRN CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330064 781006905 /nfs/dbraw/zinc/00/69/05/781006905.db2.gz VGEIOGANNALTSD-JTQLQIEISA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703309704 781007950 /nfs/dbraw/zinc/00/79/50/781007950.db2.gz VAIUTVWQCVPGHH-NXEZZACHSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000703349035 781008920 /nfs/dbraw/zinc/00/89/20/781008920.db2.gz VNQFZZIBIOKHLL-SECBINFHSA-N 0 0 271.307 2.575 20 10 CFCDRN CC(C)(CN1CCCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703365709 781010836 /nfs/dbraw/zinc/01/08/36/781010836.db2.gz GNBPTZLXVXCKJK-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN CC(C)(C)OCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703364987 781010868 /nfs/dbraw/zinc/01/08/68/781010868.db2.gz DISFUQIWOVHUOF-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN [O-]c1c(C[NH2+]CC2CC(F)(F)C2)ccc(F)c1F ZINC000703382603 781012828 /nfs/dbraw/zinc/01/28/28/781012828.db2.gz OLGDHSQXRWNLFW-UHFFFAOYSA-N 0 0 263.234 2.805 20 10 CFCDRN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000703504436 781017644 /nfs/dbraw/zinc/01/76/44/781017644.db2.gz YPDANGBEGWSLCB-GFCCVEGCSA-N 0 0 284.350 2.587 20 10 CFCDRN CSc1ncc(-c2ccnc3c2ccn3C)cn1 ZINC001241631803 781033124 /nfs/dbraw/zinc/03/31/24/781033124.db2.gz XYMQZIAKNKOTRS-UHFFFAOYSA-N 0 0 256.334 2.752 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2cnc(N)nc2C)cn1 ZINC001241647378 781045660 /nfs/dbraw/zinc/04/56/60/781045660.db2.gz XMWROZMJIRUTJZ-UHFFFAOYSA-N 0 0 279.347 2.837 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)NC(=O)CO2 ZINC001241821494 781144022 /nfs/dbraw/zinc/14/40/22/781144022.db2.gz FUSMIMGVFFCFIJ-UHFFFAOYSA-N 0 0 279.299 2.571 20 10 CFCDRN Cc1cc(-c2cccc3c2ccn3C)cn(C)c1=O ZINC001241824018 781145501 /nfs/dbraw/zinc/14/55/01/781145501.db2.gz IVDIJLFEQQGIAW-UHFFFAOYSA-N 0 0 252.317 2.852 20 10 CFCDRN CC(C)n1nccc(-c2cccc3c2ccn3C)c1=O ZINC001241823763 781146037 /nfs/dbraw/zinc/14/60/37/781146037.db2.gz UYXGWMGFXHFEOA-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN C[C@@H]1C[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706829977 781205076 /nfs/dbraw/zinc/20/50/76/781205076.db2.gz JJPWFMQXSWRSNY-BDAKNGLRSA-N 0 0 270.170 2.900 20 10 CFCDRN CSCCC[NH2+]Cc1c(O)cccc1Br ZINC000706833792 781205192 /nfs/dbraw/zinc/20/51/92/781205192.db2.gz HLCOJWJPAALTEJ-UHFFFAOYSA-N 0 0 290.226 2.997 20 10 CFCDRN CN(Cc1c(O)cccc1Br)CC(F)F ZINC000707128734 781226855 /nfs/dbraw/zinc/22/68/55/781226855.db2.gz AOOSJQDGJCGBQT-UHFFFAOYSA-N 0 0 280.112 2.852 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C ZINC000707224421 781235223 /nfs/dbraw/zinc/23/52/23/781235223.db2.gz WOAVKQGLGCMQJD-WDEREUQCSA-N 0 0 265.353 2.773 20 10 CFCDRN CCc1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000708482890 781265418 /nfs/dbraw/zinc/26/54/18/781265418.db2.gz YRQQSYNOFWQWFB-UHFFFAOYSA-N 0 0 282.290 2.819 20 10 CFCDRN CCOC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383251 781272239 /nfs/dbraw/zinc/27/22/39/781272239.db2.gz KWWGJADZMYZFRG-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN CO[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1C ZINC000708413667 781273243 /nfs/dbraw/zinc/27/32/43/781273243.db2.gz MPSIQCXZRNABBI-TVQRCGJNSA-N 0 0 271.307 2.527 20 10 CFCDRN CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414220 781274107 /nfs/dbraw/zinc/27/41/07/781274107.db2.gz PKUOOBTWVOFSDV-JOYOIKCWSA-N 0 0 271.307 2.670 20 10 CFCDRN CCCCOCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708446045 781274775 /nfs/dbraw/zinc/27/47/75/781274775.db2.gz ZEKZSMXCQACAHS-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708434846 781275198 /nfs/dbraw/zinc/27/51/98/781275198.db2.gz VMNCVMAFNYIXEZ-CYBMUJFWSA-N 0 0 284.350 2.587 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOC1CCCC1 ZINC000708501745 781291420 /nfs/dbraw/zinc/29/14/20/781291420.db2.gz IIPJJINGYIVYKT-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN C[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708534901 781292196 /nfs/dbraw/zinc/29/21/96/781292196.db2.gz GITHXILIVZMHFA-UWVGGRQHSA-N 0 0 271.307 2.575 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517681 781292894 /nfs/dbraw/zinc/29/28/94/781292894.db2.gz RXHJYMMRFPEOMM-CLAHSXSESA-N 0 0 271.307 2.574 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000708536036 781293019 /nfs/dbraw/zinc/29/30/19/781293019.db2.gz UJPIGVHSNPZGDX-UHFFFAOYSA-N 0 0 253.292 2.950 20 10 CFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711492958 781445508 /nfs/dbraw/zinc/44/55/08/781445508.db2.gz WEEKPVLQSGNMLR-VIFPVBQESA-N 0 0 288.160 2.946 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000143339701 781551795 /nfs/dbraw/zinc/55/17/95/781551795.db2.gz KBKWMWNASPKAAT-LBPRGKRZSA-N 0 0 260.381 2.805 20 10 CFCDRN COC(=O)c1ncc(-c2cccc3c2cc(C)n3C)cn1 ZINC001243012533 781921169 /nfs/dbraw/zinc/92/11/69/781921169.db2.gz GBCXYLPRQXITOB-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185424531 282242055 /nfs/dbraw/zinc/24/20/55/282242055.db2.gz BYKXTZOFTSNMAP-BMIGLBTASA-N 0 0 269.360 2.979 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185424481 282282135 /nfs/dbraw/zinc/28/21/35/282282135.db2.gz BYKXTZOFTSNMAP-ZUZCIYMTSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(F)F ZINC000295028495 199308596 /nfs/dbraw/zinc/30/85/96/199308596.db2.gz LIYHWRYMYQPTGW-GXSJLCMTSA-N 0 0 279.714 2.540 20 10 CFCDRN C[C@@H](CCCCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000295087705 199338632 /nfs/dbraw/zinc/33/86/32/199338632.db2.gz REXXYTUTASKAMT-JTQLQIEISA-N 0 0 257.761 2.686 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H](CO)c1ccccc1 ZINC000295102617 199346263 /nfs/dbraw/zinc/34/62/63/199346263.db2.gz SZSXUHVVHDJFKQ-HNNXBMFYSA-N 0 0 275.323 2.697 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000031726392 346296062 /nfs/dbraw/zinc/29/60/62/346296062.db2.gz QXQNTZRNRIYOIV-CYBMUJFWSA-N 0 0 275.396 2.694 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)COC2CCCC2)cc1 ZINC000044916973 346401142 /nfs/dbraw/zinc/40/11/42/346401142.db2.gz HQPZQGRXZWPGRB-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCO1 ZINC000046783858 346433849 /nfs/dbraw/zinc/43/38/49/346433849.db2.gz XSUYZLXXROQDKC-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN CC(C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053511911 346549607 /nfs/dbraw/zinc/54/96/07/346549607.db2.gz KFBXWYAKRCWJEU-UHFFFAOYSA-N 0 0 277.412 2.940 20 10 CFCDRN C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000053984422 346556370 /nfs/dbraw/zinc/55/63/70/346556370.db2.gz PXHVQAPPDNWVAA-ZDUSSCGKSA-N 0 0 275.396 2.837 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)C=C(C)C)CC2)cc1 ZINC000055878180 346597994 /nfs/dbraw/zinc/59/79/94/346597994.db2.gz FZVXUQYVAFDENR-UHFFFAOYSA-N 0 0 288.391 2.700 20 10 CFCDRN Cc1ncsc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058731583 346649471 /nfs/dbraw/zinc/64/94/71/346649471.db2.gz ZXXWNMIAOFILLN-UHFFFAOYSA-N 0 0 293.367 2.587 20 10 CFCDRN CN(C)c1ccc(CNc2nc(C3CC3)no2)cc1F ZINC000076685044 347147987 /nfs/dbraw/zinc/14/79/87/347147987.db2.gz PJDHSLXXMSQTMI-UHFFFAOYSA-N 0 0 276.315 2.764 20 10 CFCDRN CC(C)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132484008 347884627 /nfs/dbraw/zinc/88/46/27/347884627.db2.gz KBVUHIXHEOZINN-UHFFFAOYSA-N 0 0 258.159 2.995 20 10 CFCDRN CCCCO[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000147020439 347947134 /nfs/dbraw/zinc/94/71/34/347947134.db2.gz WLRFXTUGNVMQFL-CQSZACIVSA-N 0 0 292.423 2.916 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCCc2ccc(F)cc21 ZINC000492501558 348632181 /nfs/dbraw/zinc/63/21/81/348632181.db2.gz KGPPQUBBHIKGOD-WAYWQWQTSA-N 0 0 283.306 2.608 20 10 CFCDRN c1cn2c(n1)[C@H](NCc1ccc(N3CCCC3)cc1)CC2 ZINC000295153527 540134829 /nfs/dbraw/zinc/13/48/29/540134829.db2.gz RHMRVYXAGQOONL-MRXNPFEDSA-N 0 0 282.391 2.718 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293547712 198678338 /nfs/dbraw/zinc/67/83/38/198678338.db2.gz GRBMTGAEGMVRFY-GFCCVEGCSA-N 0 0 275.751 2.681 20 10 CFCDRN CC(C)(CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293630736 198709451 /nfs/dbraw/zinc/70/94/51/198709451.db2.gz NEHPSJWTWKBFAE-UHFFFAOYSA-N 0 0 275.751 2.683 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000296015249 199752660 /nfs/dbraw/zinc/75/26/60/199752660.db2.gz RKEVXNCITCVFSP-PRJMDXOYSA-N 0 0 276.163 2.873 20 10 CFCDRN OC[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000293791465 198774464 /nfs/dbraw/zinc/77/44/64/198774464.db2.gz COBYUEBVDSHEES-LBPRGKRZSA-N 0 0 273.307 2.627 20 10 CFCDRN CCOc1cncc(NCc2ccc(N(C)C)cc2C)n1 ZINC000301720226 540267415 /nfs/dbraw/zinc/26/74/15/540267415.db2.gz ZOMJYGAZBRHQBR-UHFFFAOYSA-N 0 0 286.379 2.862 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCO)C1CCC1 ZINC000294593872 199100197 /nfs/dbraw/zinc/10/01/97/199100197.db2.gz HNTLEBMBOMJPEA-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000294797439 199187897 /nfs/dbraw/zinc/18/78/97/199187897.db2.gz DUYAKXFYLUMHGK-DGCLKSJQSA-N 0 0 277.364 2.843 20 10 CFCDRN CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000296313077 199849991 /nfs/dbraw/zinc/84/99/91/199849991.db2.gz GMTLETKTLGNUMZ-ZDUSSCGKSA-N 0 0 269.360 2.981 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)c2cccnc2)cc1Cl ZINC000296805272 200003312 /nfs/dbraw/zinc/00/33/12/200003312.db2.gz PLRLCENDPQDVKP-CQSZACIVSA-N 0 0 292.766 2.913 20 10 CFCDRN O=c1cc(-c2cnccc2Cl)ccn1CC1CC1 ZINC001243046491 781950878 /nfs/dbraw/zinc/95/08/78/781950878.db2.gz HLUCVSCSFMROAA-UHFFFAOYSA-N 0 0 260.724 2.974 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000185121316 296131387 /nfs/dbraw/zinc/13/13/87/296131387.db2.gz MSOYKJBPLGPWOH-JGVFFNPUSA-N 0 0 278.179 2.978 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000290128308 296159563 /nfs/dbraw/zinc/15/95/63/296159563.db2.gz JUEIOVSBWDUSGG-NOZJJQNGSA-N 0 0 285.334 2.872 20 10 CFCDRN CC(C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000026518826 372325638 /nfs/dbraw/zinc/32/56/38/372325638.db2.gz FWKMWUUECYGYTG-UHFFFAOYSA-N 0 0 263.385 2.550 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccon2)cc1F ZINC000066841646 373958383 /nfs/dbraw/zinc/95/83/83/373958383.db2.gz ZFMUEFBROTZMBZ-UHFFFAOYSA-N 0 0 291.326 2.590 20 10 CFCDRN Cn1nccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000091072321 375040321 /nfs/dbraw/zinc/04/03/21/375040321.db2.gz CMFQSWKIPGNMRF-UHFFFAOYSA-N 0 0 293.317 2.974 20 10 CFCDRN Cc1nn(C)c(Cl)c1CN(C)Cc1ccccc1O ZINC000114721344 376081372 /nfs/dbraw/zinc/08/13/72/376081372.db2.gz MBUIRHNEJJOUIP-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000117971138 376268314 /nfs/dbraw/zinc/26/83/14/376268314.db2.gz NZZYJCLXJDDGFT-SJKOYZFVSA-N 0 0 297.354 2.915 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000529513804 383715125 /nfs/dbraw/zinc/71/51/25/383715125.db2.gz UFKRGMXOTBSKLO-QOBXEIRBSA-N 0 0 297.782 2.721 20 10 CFCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)cc1[O-] ZINC000123771521 376976299 /nfs/dbraw/zinc/97/62/99/376976299.db2.gz KKGRJAVRQDLOJQ-GFCCVEGCSA-N 0 0 294.370 2.585 20 10 CFCDRN CC[C@@H](SC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000124142518 377020944 /nfs/dbraw/zinc/02/09/44/377020944.db2.gz PBNLORJFQZRHBH-CQSZACIVSA-N 0 0 280.437 2.853 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124642495 377072609 /nfs/dbraw/zinc/07/26/09/377072609.db2.gz CTGQKJAIDDCQGC-LBPRGKRZSA-N 0 0 268.788 2.620 20 10 CFCDRN CC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000127961906 377310586 /nfs/dbraw/zinc/31/05/86/377310586.db2.gz RDCGSXKEKCYTJW-UHFFFAOYSA-N 0 0 264.152 2.513 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)COC(C)C)cc1Cl ZINC000131449761 377713427 /nfs/dbraw/zinc/71/34/27/377713427.db2.gz RFXQYMJCZWYZSP-LBPRGKRZSA-N 0 0 287.787 2.571 20 10 CFCDRN CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000134625665 378039928 /nfs/dbraw/zinc/03/99/28/378039928.db2.gz ZRVBQGYRWVCDLM-OFQRWUPVSA-N 0 0 274.408 2.730 20 10 CFCDRN C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134914027 378061803 /nfs/dbraw/zinc/06/18/03/378061803.db2.gz MNBDASFTSWRPQP-RNFRBKRXSA-N 0 0 264.152 2.730 20 10 CFCDRN CCc1ncsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000136825160 378210373 /nfs/dbraw/zinc/21/03/73/378210373.db2.gz MCDFSGBQPIEEAN-UHFFFAOYSA-N 0 0 289.404 2.702 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC1 ZINC000335757825 379841387 /nfs/dbraw/zinc/84/13/87/379841387.db2.gz HFIZOIWTKABBTN-UHFFFAOYSA-N 0 0 271.364 2.792 20 10 CFCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000175842303 380141791 /nfs/dbraw/zinc/14/17/91/380141791.db2.gz IRBRUYVJPFMWKZ-LLVKDONJSA-N 0 0 273.376 2.933 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN(C)c2cnn(C)c2)c1O ZINC000177289225 380325558 /nfs/dbraw/zinc/32/55/58/380325558.db2.gz DGZGFFXUVUWPCY-UHFFFAOYSA-N 0 0 293.754 2.618 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(C)CC1 ZINC000336611784 380546195 /nfs/dbraw/zinc/54/61/95/380546195.db2.gz LEGHNILVVAPDQB-UHFFFAOYSA-N 0 0 256.349 2.903 20 10 CFCDRN CCC[C@@H]1SCCN1C(=O)c1ccc(C)c(O)c1O ZINC000179501608 380550838 /nfs/dbraw/zinc/55/08/38/380550838.db2.gz YCOXXCAYBKOGLG-NSHDSACASA-N 0 0 281.377 2.721 20 10 CFCDRN CCSCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000179527238 380552049 /nfs/dbraw/zinc/55/20/49/380552049.db2.gz ANHQESRIYCCJKT-SNVBAGLBSA-N 0 0 283.393 2.668 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)CCOC1 ZINC000336621960 380563865 /nfs/dbraw/zinc/56/38/65/380563865.db2.gz GZWJMKFBOVJONV-KRWDZBQOSA-N 0 0 286.375 2.530 20 10 CFCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179844032 380586256 /nfs/dbraw/zinc/58/62/56/380586256.db2.gz PQOLHFBTNSWFLV-LBPRGKRZSA-N 0 0 297.782 2.821 20 10 CFCDRN CCC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180173300 380628115 /nfs/dbraw/zinc/62/81/15/380628115.db2.gz SCJNHPWJHOIBHL-CYBMUJFWSA-N 0 0 253.317 2.532 20 10 CFCDRN CCC[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000180173319 380628411 /nfs/dbraw/zinc/62/84/11/380628411.db2.gz SCJNHPWJHOIBHL-ZDUSSCGKSA-N 0 0 253.317 2.532 20 10 CFCDRN COc1ccc(O)c(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000180558226 380676778 /nfs/dbraw/zinc/67/67/78/380676778.db2.gz YHCNMRPEUZZQJL-UHFFFAOYSA-N 0 0 292.404 2.840 20 10 CFCDRN COc1cc(N(C)Cc2cncs2)cc(OC)c1OC ZINC000180756822 380696486 /nfs/dbraw/zinc/69/64/86/380696486.db2.gz GPIPEKCEJOTADN-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN COc1ccc(N(C)CC2=CCCOC2)cc1F ZINC000180772377 380697391 /nfs/dbraw/zinc/69/73/91/380697391.db2.gz FQNROHDDCGJZGH-UHFFFAOYSA-N 0 0 251.301 2.617 20 10 CFCDRN CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000180766493 380697817 /nfs/dbraw/zinc/69/78/17/380697817.db2.gz HLNYBBVBWHEXKX-FNORWQNLSA-N 0 0 275.348 2.808 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCC2)C1 ZINC000180861653 380707522 /nfs/dbraw/zinc/70/75/22/380707522.db2.gz AMQUVFGEGXCQPD-HWKANZROSA-N 0 0 273.332 2.514 20 10 CFCDRN CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000287694879 380910160 /nfs/dbraw/zinc/91/01/60/380910160.db2.gz WVGRUCCASQXQOE-DZKIICNBSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@@H]([NH2+]CC1(C)OCCO1)c1cccc(Cl)c1[O-] ZINC000287710266 380915582 /nfs/dbraw/zinc/91/55/82/380915582.db2.gz OCWCPXNRPZWMGA-GFCCVEGCSA-N 0 0 285.771 2.849 20 10 CFCDRN CN(C)c1ccc(CN(c2nncs2)C2CC2)cc1 ZINC000295525529 380916214 /nfs/dbraw/zinc/91/62/14/380916214.db2.gz MVUCZYMIVHGSBY-UHFFFAOYSA-N 0 0 274.393 2.773 20 10 CFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C ZINC000289324658 381031555 /nfs/dbraw/zinc/03/15/55/381031555.db2.gz LFZYPVFSQUMMNE-NSHDSACASA-N 0 0 274.368 2.671 20 10 CFCDRN Cc1occc1CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000182202901 381019306 /nfs/dbraw/zinc/01/93/06/381019306.db2.gz ORUIEQCTYKCRHZ-UHFFFAOYSA-N 0 0 275.304 2.580 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCSC1 ZINC000288101789 381007705 /nfs/dbraw/zinc/00/77/05/381007705.db2.gz WRBUSEWWZYMLSX-GFCCVEGCSA-N 0 0 294.420 2.677 20 10 CFCDRN CN1CCc2cc(CNc3cc(N)ccc3[N+](=O)[O-])ccc21 ZINC000368486573 381041952 /nfs/dbraw/zinc/04/19/52/381041952.db2.gz BVOHSWAQFZUJFB-UHFFFAOYSA-N 0 0 298.346 2.781 20 10 CFCDRN CCCCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182515409 381103729 /nfs/dbraw/zinc/10/37/29/381103729.db2.gz LSVREVYQCUKEQA-UHFFFAOYSA-N 0 0 251.326 2.684 20 10 CFCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182526339 381106657 /nfs/dbraw/zinc/10/66/57/381106657.db2.gz RRYIDAFNSSVDFO-WDEREUQCSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)o2)sn1 ZINC000341649558 381148719 /nfs/dbraw/zinc/14/87/19/381148719.db2.gz XNNQEMJUYAIAFS-UHFFFAOYSA-N 0 0 290.369 2.923 20 10 CFCDRN Cc1ccc(C(=O)NCCCC(C)(F)F)c(O)c1O ZINC000295864677 381124669 /nfs/dbraw/zinc/12/46/69/381124669.db2.gz XEXHCHICHMPKIQ-UHFFFAOYSA-N 0 0 273.279 2.571 20 10 CFCDRN CCCOc1ccc(CN(C2CC2)C2COC2)c(O)c1 ZINC000296019571 381214771 /nfs/dbraw/zinc/21/47/71/381214771.db2.gz MIRSXTOBNREUBY-UHFFFAOYSA-N 0 0 277.364 2.544 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(O)c1 ZINC000182838469 381169057 /nfs/dbraw/zinc/16/90/57/381169057.db2.gz SANNJTDVFRWBBR-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN CCC[C@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291285 381250038 /nfs/dbraw/zinc/25/00/38/381250038.db2.gz OWQBNTIOEYPWOW-HIFRSBDPSA-N 0 0 291.391 2.946 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296185300 381291521 /nfs/dbraw/zinc/29/15/21/381291521.db2.gz BFMFMJRTVSMDGC-NWDGAFQWSA-N 0 0 263.337 2.540 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000296241016 381316332 /nfs/dbraw/zinc/31/63/32/381316332.db2.gz AVOMBXMCAVSJGC-VIFPVBQESA-N 0 0 287.306 2.875 20 10 CFCDRN Oc1ccccc1CNc1cccc2c1OCC[C@@H]2O ZINC000184093809 381369635 /nfs/dbraw/zinc/36/96/35/381369635.db2.gz NVRFPNHPZNHRQR-HNNXBMFYSA-N 0 0 271.316 2.820 20 10 CFCDRN CCCCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184130583 381375545 /nfs/dbraw/zinc/37/55/45/381375545.db2.gz MQVRLCMSYQTYJY-UHFFFAOYSA-N 0 0 298.452 2.704 20 10 CFCDRN CCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000296413006 381383603 /nfs/dbraw/zinc/38/36/03/381383603.db2.gz XPBSECBSUNVQRQ-SOFGYWHQSA-N 0 0 275.348 2.950 20 10 CFCDRN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296980417 381548707 /nfs/dbraw/zinc/54/87/07/381548707.db2.gz FGNCKUAXBUPLEB-UONOGXRCSA-N 0 0 287.407 2.837 20 10 CFCDRN CC(C)c1nc(C(=O)NCc2ccc(N)cc2)cs1 ZINC000297127360 381551352 /nfs/dbraw/zinc/55/13/52/381551352.db2.gz HAIMXIIBFWCPFJ-UHFFFAOYSA-N 0 0 275.377 2.779 20 10 CFCDRN Cc1cc(C)cc(OCCC(=O)NCc2ccc(N)cc2)c1 ZINC000297161723 381553054 /nfs/dbraw/zinc/55/30/54/381553054.db2.gz JUNZJEOJJZSIQO-UHFFFAOYSA-N 0 0 298.386 2.971 20 10 CFCDRN Nc1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1 ZINC000297324234 381557407 /nfs/dbraw/zinc/55/74/07/381557407.db2.gz XFDLUYUSSPFWDN-UHFFFAOYSA-N 0 0 296.370 2.988 20 10 CFCDRN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000185313096 381594006 /nfs/dbraw/zinc/59/40/06/381594006.db2.gz DGQQANNROKCRIK-LLVKDONJSA-N 0 0 277.343 2.548 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)C1CC1 ZINC000185368686 381613756 /nfs/dbraw/zinc/61/37/56/381613756.db2.gz UDNMNUKLAYQSRO-MNOVXSKESA-N 0 0 266.360 2.665 20 10 CFCDRN CS[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298438532 381625088 /nfs/dbraw/zinc/62/50/88/381625088.db2.gz YWMNATNYIHIEEN-LBPRGKRZSA-N 0 0 292.448 2.995 20 10 CFCDRN C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185466015 381640336 /nfs/dbraw/zinc/64/03/36/381640336.db2.gz FIPYUZPCDNHHOP-QXKQMHMISA-N 0 0 287.334 2.840 20 10 CFCDRN CC(C)c1ncncc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000298685604 381712430 /nfs/dbraw/zinc/71/24/30/381712430.db2.gz XFXRBGKVKUBVQO-UHFFFAOYSA-N 0 0 298.390 2.596 20 10 CFCDRN C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185674388 381701820 /nfs/dbraw/zinc/70/18/20/381701820.db2.gz MLUSSKOYHZEIFV-YKJXYISPSA-N 0 0 287.334 2.840 20 10 CFCDRN COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186134746 381831859 /nfs/dbraw/zinc/83/18/59/381831859.db2.gz JXGWLULMSUZACC-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1nccn1C ZINC000299133927 381836296 /nfs/dbraw/zinc/83/62/96/381836296.db2.gz NSANCSUBAXFWHJ-NTCAYCPXSA-N 0 0 299.374 2.590 20 10 CFCDRN CC(C)C[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186417590 381905844 /nfs/dbraw/zinc/90/58/44/381905844.db2.gz ZVCMOASOAXCGAG-NWDGAFQWSA-N 0 0 279.380 2.827 20 10 CFCDRN Cc1cnn(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)c1 ZINC000373240683 381957318 /nfs/dbraw/zinc/95/73/18/381957318.db2.gz UCSIANPBHWWODP-UHFFFAOYSA-N 0 0 289.354 2.873 20 10 CFCDRN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000186562920 381947808 /nfs/dbraw/zinc/94/78/08/381947808.db2.gz GQBHWWOCHVBZQS-ZWNOBZJWSA-N 0 0 279.311 2.899 20 10 CFCDRN CN1CCc2cc(CNC(=O)NCc3ccccc3)ccc21 ZINC000373609730 382020257 /nfs/dbraw/zinc/02/02/57/382020257.db2.gz PBBCUIPLZOGQFL-UHFFFAOYSA-N 0 0 295.386 2.678 20 10 CFCDRN Cc1nc([C@H]2CCCCN2Cc2ccccc2O)no1 ZINC000376168518 382123375 /nfs/dbraw/zinc/12/33/75/382123375.db2.gz XAHKGJNTYDKABQ-CYBMUJFWSA-N 0 0 273.336 2.811 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H](C3CC3)C2)c1O ZINC000375331662 382080933 /nfs/dbraw/zinc/08/09/33/382080933.db2.gz IWJAQGYTUNHNOQ-AWEZNQCLSA-N 0 0 297.782 2.665 20 10 CFCDRN CN1CCc2cc(CNC(=O)C[C@H]3C=CCC3)ccc21 ZINC000375370236 382084165 /nfs/dbraw/zinc/08/41/65/382084165.db2.gz ODSQYHRKAPRSPR-ZDUSSCGKSA-N 0 0 270.376 2.651 20 10 CFCDRN COc1ccc(N(C)Cc2conc2C)cc1F ZINC000293641930 382208653 /nfs/dbraw/zinc/20/86/53/382208653.db2.gz NYTSVXWKWWAYIA-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN CCCCCC(=O)NCc1ccc2c(c1)CCN2C ZINC000376911855 382190755 /nfs/dbraw/zinc/19/07/55/382190755.db2.gz SXYFGNZSANSKKE-UHFFFAOYSA-N 0 0 260.381 2.875 20 10 CFCDRN C[C@H]([NH2+]CCCCCCO)c1ccc(F)c(F)c1[O-] ZINC000187830277 382279147 /nfs/dbraw/zinc/27/91/47/382279147.db2.gz HUFLPHVUJNGROJ-JTQLQIEISA-N 0 0 273.323 2.874 20 10 CFCDRN Cc1cnn(-c2cccc(N(C)Cc3ccccc3O)n2)c1 ZINC000364236718 382287466 /nfs/dbraw/zinc/28/74/66/382287466.db2.gz XKUNVFSZIJBQLY-UHFFFAOYSA-N 0 0 294.358 2.918 20 10 CFCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000187700056 382251725 /nfs/dbraw/zinc/25/17/25/382251725.db2.gz KFAMBDBPLDCKNF-CMPLNLGQSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187701265 382251986 /nfs/dbraw/zinc/25/19/86/382251986.db2.gz KNOIUDRUOUSRMF-QMMMGPOBSA-N 0 0 268.263 2.818 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188569139 382436688 /nfs/dbraw/zinc/43/66/88/382436688.db2.gz JKDYWSYCBYUYFH-RTXFEEFZSA-N 0 0 267.756 2.703 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000294076889 382406392 /nfs/dbraw/zinc/40/63/92/382406392.db2.gz QUXAKEHHBIYWAK-OAHLLOKOSA-N 0 0 263.381 2.948 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187690177 284961656 /nfs/dbraw/zinc/96/16/56/284961656.db2.gz YWOPKASWZRJDFG-SNVBAGLBSA-N 0 0 284.350 2.805 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC23CCCC3)c(O)c1O ZINC000365543005 382410120 /nfs/dbraw/zinc/41/01/20/382410120.db2.gz ZORVKNXNIFHCPV-UHFFFAOYSA-N 0 0 275.348 2.955 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000378491518 382472993 /nfs/dbraw/zinc/47/29/93/382472993.db2.gz FPTGMHDZUPQNIZ-UHFFFAOYSA-N 0 0 275.327 2.565 20 10 CFCDRN CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294736615 382526814 /nfs/dbraw/zinc/52/68/14/382526814.db2.gz GUBNMHVDIKGYHK-GFCCVEGCSA-N 0 0 273.735 2.842 20 10 CFCDRN Cc1nocc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000294764495 382526942 /nfs/dbraw/zinc/52/69/42/382526942.db2.gz SIWFRICEUZABNW-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN CC(C)c1n[nH]cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000188888617 382500439 /nfs/dbraw/zinc/50/04/39/382500439.db2.gz KODSEJVDTXCZLL-UHFFFAOYSA-N 0 0 286.379 2.529 20 10 CFCDRN CCCc1cc(C(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000294472548 382514413 /nfs/dbraw/zinc/51/44/13/382514413.db2.gz QFDSEXSLBJOSFM-UHFFFAOYSA-N 0 0 287.363 2.623 20 10 CFCDRN CCC[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000294658450 382519013 /nfs/dbraw/zinc/51/90/13/382519013.db2.gz IBDVYFPTJDNZEP-INIZCTEOSA-N 0 0 292.423 2.916 20 10 CFCDRN COC(=O)c1cnc(SCc2cncc(OC)c2)s1 ZINC000294929073 382544213 /nfs/dbraw/zinc/54/42/13/382544213.db2.gz CVSCNQHZIGGJPZ-UHFFFAOYSA-N 0 0 296.373 2.626 20 10 CFCDRN CCc1ncnc(Sc2ncc(C(=O)OC)s2)c1F ZINC000294930248 382544660 /nfs/dbraw/zinc/54/46/60/382544660.db2.gz KEYQRDIMQRPKJS-UHFFFAOYSA-N 0 0 299.352 2.572 20 10 CFCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1CCCC1 ZINC000294809964 382529616 /nfs/dbraw/zinc/52/96/16/382529616.db2.gz FUWDQXHFVVRADI-MRVPVSSYSA-N 0 0 267.300 2.545 20 10 CFCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCCC1 ZINC000294809967 382529705 /nfs/dbraw/zinc/52/97/05/382529705.db2.gz FUWDQXHFVVRADI-QMMMGPOBSA-N 0 0 267.300 2.545 20 10 CFCDRN COc1cc(N(C)CC[C@@H]2CCCO2)cc(OC)c1OC ZINC000189398224 382602643 /nfs/dbraw/zinc/60/26/43/382602643.db2.gz ABIUIAIQKIIFHO-ZDUSSCGKSA-N 0 0 295.379 2.718 20 10 CFCDRN CCc1noc([C@H](C)Sc2ncc(C(=O)OC)s2)n1 ZINC000295307709 382613521 /nfs/dbraw/zinc/61/35/21/382613521.db2.gz MYIPWRKRCHAVRF-LURJTMIESA-N 0 0 299.377 2.728 20 10 CFCDRN COC(=O)c1cnc(SCc2nc(C)cs2)s1 ZINC000295168365 382579812 /nfs/dbraw/zinc/57/98/12/382579812.db2.gz HYEOHJYQVFJGPY-UHFFFAOYSA-N 0 0 286.403 2.987 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1CCCCC1 ZINC000190861061 382683031 /nfs/dbraw/zinc/68/30/31/382683031.db2.gz YLVALZCIWOJMBE-MRXNPFEDSA-N 0 0 263.381 2.765 20 10 CFCDRN O=C(N[C@@H](c1ccccn1)C1CCC1)c1cccc(O)c1O ZINC000529828675 383759046 /nfs/dbraw/zinc/75/90/46/383759046.db2.gz CTFYKIVKDACYKC-OAHLLOKOSA-N 0 0 298.342 2.764 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)ncc1[N+](=O)[O-] ZINC000266834297 384243594 /nfs/dbraw/zinc/24/35/94/384243594.db2.gz JINKIRYXWDSATE-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN Cc1cnc([C@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000267526936 384407980 /nfs/dbraw/zinc/40/79/80/384407980.db2.gz JCUSEQQFWJVNPM-JTQLQIEISA-N 0 0 291.376 2.718 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccc(COC)o2)SC1=S ZINC000268721804 384652581 /nfs/dbraw/zinc/65/25/81/384652581.db2.gz IHKBWXITNJKYBF-UXBLZVDNSA-N 0 0 283.374 2.647 20 10 CFCDRN CCC[C@](C)(O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000269303908 384745671 /nfs/dbraw/zinc/74/56/71/384745671.db2.gz KSETVFXSVVZOFZ-KRWDZBQOSA-N 0 0 292.423 2.700 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCO1 ZINC000270631194 385170965 /nfs/dbraw/zinc/17/09/65/385170965.db2.gz CQYZVELMYWBPOO-INIZCTEOSA-N 0 0 290.407 2.669 20 10 CFCDRN CCC[C@](C)(O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000271046481 385317413 /nfs/dbraw/zinc/31/74/13/385317413.db2.gz PERDKYJTEONUMA-KRWDZBQOSA-N 0 0 292.423 2.652 20 10 CFCDRN CCC[C@@](C)(O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000271046910 385319285 /nfs/dbraw/zinc/31/92/85/385319285.db2.gz PERDKYJTEONUMA-QGZVFWFLSA-N 0 0 292.423 2.652 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C1CCOCC1 ZINC000282355230 385290682 /nfs/dbraw/zinc/29/06/82/385290682.db2.gz AXNUKDWITUUIOW-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN C[C@@H](O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271719756 385388669 /nfs/dbraw/zinc/38/86/69/385388669.db2.gz JIXIZEWEHISFKZ-SNVBAGLBSA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000271742334 385390010 /nfs/dbraw/zinc/39/00/10/385390010.db2.gz RHSMFINXUOKCOW-UHFFFAOYSA-N 0 0 271.364 2.803 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000271244943 385377923 /nfs/dbraw/zinc/37/79/23/385377923.db2.gz BXUDJHCLTUUTIS-PRHODGIISA-N 0 0 290.190 2.902 20 10 CFCDRN CCCc1occc1C(=O)NCc1cccc(OC)c1O ZINC000282761302 385384726 /nfs/dbraw/zinc/38/47/26/385384726.db2.gz ODZYHURYIAWHGM-UHFFFAOYSA-N 0 0 289.331 2.876 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC[C@@H]1O ZINC000271874441 385395502 /nfs/dbraw/zinc/39/55/02/385395502.db2.gz SSXVDOQBEPBXIG-GWCFXTLKSA-N 0 0 269.772 2.638 20 10 CFCDRN CCCC[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000271856556 385395530 /nfs/dbraw/zinc/39/55/30/385395530.db2.gz XMJXHXJIJUXEMM-UHFFFAOYSA-N 0 0 257.761 2.640 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(C)no1 ZINC000272308041 385505163 /nfs/dbraw/zinc/50/51/63/385505163.db2.gz FNABRGHTTYSGEU-UHFFFAOYSA-N 0 0 290.323 2.528 20 10 CFCDRN C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(F)c(F)c1[O-] ZINC000284237094 385545865 /nfs/dbraw/zinc/54/58/65/385545865.db2.gz DUQSNKUWFZSEDB-SECBINFHSA-N 0 0 271.307 2.626 20 10 CFCDRN CC[C@H]([NH2+]CCCn1cccn1)c1ccc(F)cc1[O-] ZINC000285557237 385556454 /nfs/dbraw/zinc/55/64/54/385556454.db2.gz GZROQXDNMPTOPY-AWEZNQCLSA-N 0 0 277.343 2.859 20 10 CFCDRN CC[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(F)cc1[O-] ZINC000285953843 385558548 /nfs/dbraw/zinc/55/85/48/385558548.db2.gz GHIHAOOIFZQGCI-CYBMUJFWSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1[O-] ZINC000286108116 385560634 /nfs/dbraw/zinc/56/06/34/385560634.db2.gz NNKPBDLMWXZBOX-JSGCOSHPSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@@H]([NH2+]CC1CCOCC1)c1ccc(F)cc1[O-] ZINC000286353783 385596070 /nfs/dbraw/zinc/59/60/70/385596070.db2.gz YXQCKPYECMURDU-CQSZACIVSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)cc1[O-] ZINC000286375678 385601100 /nfs/dbraw/zinc/60/11/00/385601100.db2.gz ALEKBQYVSZNEHW-CYBMUJFWSA-N 0 0 283.343 2.725 20 10 CFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272659710 385583850 /nfs/dbraw/zinc/58/38/50/385583850.db2.gz OJUNURMASMASNV-PLGKGIRVSA-N 0 0 275.348 2.901 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C)COC)c1ccc(F)cc1[O-] ZINC000286328887 385590829 /nfs/dbraw/zinc/59/08/29/385590829.db2.gz XWVBTXLPMUTZBN-GXFFZTMASA-N 0 0 255.333 2.855 20 10 CFCDRN CC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273441234 385682854 /nfs/dbraw/zinc/68/28/54/385682854.db2.gz YKBBDUIERYZOGU-VHSXEESVSA-N 0 0 251.326 2.628 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557718 385687807 /nfs/dbraw/zinc/68/78/07/385687807.db2.gz HFUIGYQALQAUKF-NEPJUHHUSA-N 0 0 296.367 2.750 20 10 CFCDRN COc1cc(Cl)cc(CN2CC[N@H+](C)CC2(C)C)c1O ZINC000273803989 385695696 /nfs/dbraw/zinc/69/56/96/385695696.db2.gz XOCIOSBQRNFWON-UHFFFAOYSA-N 0 0 298.814 2.580 20 10 CFCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287138719 385787434 /nfs/dbraw/zinc/78/74/34/385787434.db2.gz ANAVEWDYJMVGCE-SFYZADRCSA-N 0 0 291.269 2.780 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccccc1O ZINC000274397158 385784925 /nfs/dbraw/zinc/78/49/25/385784925.db2.gz POXBVVWGEKKEJS-BBRMVZONSA-N 0 0 291.391 2.994 20 10 CFCDRN Cc1csc(CNC(=O)Nc2ccc(N)cc2)c1 ZINC000379106783 781978922 /nfs/dbraw/zinc/97/89/22/781978922.db2.gz IKSVROHKZASEKG-UHFFFAOYSA-N 0 0 261.350 2.960 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccncc1 ZINC000356177834 130381649 /nfs/dbraw/zinc/38/16/49/130381649.db2.gz RCCVHBFDQMEPCL-UHFFFAOYSA-N 0 0 293.370 2.741 20 10 CFCDRN CN1CCc2cc(CNC(=O)/C=C/c3ccco3)ccc21 ZINC000372318831 393446488 /nfs/dbraw/zinc/44/64/88/393446488.db2.gz BFHNUWCRJKQTBG-FNORWQNLSA-N 0 0 282.343 2.602 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1OC ZINC000372391928 393448350 /nfs/dbraw/zinc/44/83/50/393448350.db2.gz QBFIFLIUXGSQLD-GFCCVEGCSA-N 0 0 277.364 2.641 20 10 CFCDRN CC[C@H](c1ccccc1O)N1CCn2cc(C)nc2C1 ZINC000372601468 393452218 /nfs/dbraw/zinc/45/22/18/393452218.db2.gz SOAAGZYARBIUGD-CQSZACIVSA-N 0 0 271.364 2.864 20 10 CFCDRN COc1ccc(O)c(CN2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000179937884 393471947 /nfs/dbraw/zinc/47/19/47/393471947.db2.gz GSCZZGOKWHEFLV-CQSZACIVSA-N 0 0 287.363 2.851 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)cc2C)nc1 ZINC000301835850 393478359 /nfs/dbraw/zinc/47/83/59/393478359.db2.gz USBSEUPRSMWWBR-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN C[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374282415 393490845 /nfs/dbraw/zinc/49/08/45/393490845.db2.gz GWHCWQSELOOHSS-WBMJQRKESA-N 0 0 270.376 2.634 20 10 CFCDRN Cc1cnccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000121170313 393950734 /nfs/dbraw/zinc/95/07/34/393950734.db2.gz IIUYDAVJTHTZMN-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000120345149 393933047 /nfs/dbraw/zinc/93/30/47/393933047.db2.gz PBKQOQHOUFLLGB-UHFFFAOYSA-N 0 0 287.363 2.794 20 10 CFCDRN CN(Cc1noc(C(C)(C)C)n1)c1ccc2c(c1)OCO2 ZINC000121357600 393954674 /nfs/dbraw/zinc/95/46/74/393954674.db2.gz XPXHHEFGQUXPHN-UHFFFAOYSA-N 0 0 289.335 2.732 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccncc1F ZINC000348703285 393956609 /nfs/dbraw/zinc/95/66/09/393956609.db2.gz XEOJPRLYVDWASS-UHFFFAOYSA-N 0 0 297.333 2.951 20 10 CFCDRN COCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348696714 393956649 /nfs/dbraw/zinc/95/66/49/393956649.db2.gz FBFHAASAQWELNN-UHFFFAOYSA-N 0 0 274.364 2.530 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCCO2)cc1F ZINC000121786559 393960353 /nfs/dbraw/zinc/96/03/53/393960353.db2.gz QDBDPKYRORFCBB-LBPRGKRZSA-N 0 0 253.317 2.840 20 10 CFCDRN COc1ccc(N(C)CC(=O)NC2CCCC2)cc1Cl ZINC000121937554 393962391 /nfs/dbraw/zinc/96/23/91/393962391.db2.gz GHUYEKTVUAGZSK-UHFFFAOYSA-N 0 0 296.798 2.844 20 10 CFCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccnc1C ZINC000492991627 394118247 /nfs/dbraw/zinc/11/82/47/394118247.db2.gz PSBFBCBOWJABFC-CMDGGOBGSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000283398876 394131667 /nfs/dbraw/zinc/13/16/67/394131667.db2.gz GYXQWNXWRNWAOI-NNNHXZLVSA-N 0 0 267.332 2.963 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C/c2cnccc2C)ccn1 ZINC000493217285 394181892 /nfs/dbraw/zinc/18/18/92/394181892.db2.gz FVLMUWZAKHPYTQ-SNAWJCMRSA-N 0 0 267.332 2.770 20 10 CFCDRN Cn1ccc(/C=C/C(=O)N2CCCc3cccc(O)c32)c1 ZINC000493392862 394230228 /nfs/dbraw/zinc/23/02/28/394230228.db2.gz SPYRJSYFICNVKF-BQYQJAHWSA-N 0 0 282.343 2.723 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2c1cccc2Cl ZINC000493270241 394196233 /nfs/dbraw/zinc/19/62/33/394196233.db2.gz ZZTMZIUETANPIF-PLNGDYQASA-N 0 0 273.723 2.666 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N(CC1CC1)c1ccccc1 ZINC000493619489 394292638 /nfs/dbraw/zinc/29/26/38/394292638.db2.gz QCNJCRZFLAIJSF-HJWRWDBZSA-N 0 0 267.332 2.866 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)c2nccn21 ZINC000295272748 394298500 /nfs/dbraw/zinc/29/85/00/394298500.db2.gz SDGAPRUBTNRZLM-SMDDNHRTSA-N 0 0 288.370 2.884 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCc2ccccc21 ZINC000493869607 394333975 /nfs/dbraw/zinc/33/39/75/394333975.db2.gz LGGSYFAIUNLNRH-WAYWQWQTSA-N 0 0 256.330 2.746 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3ccccc3F)ccc21 ZINC000372237461 394308535 /nfs/dbraw/zinc/30/85/35/394308535.db2.gz RZOMTFOFEBGFOF-UHFFFAOYSA-N 0 0 284.334 2.748 20 10 CFCDRN Cn1c2ccc(OCCCO)cc2c2c1CCCC2 ZINC000647164381 395192487 /nfs/dbraw/zinc/19/24/87/395192487.db2.gz SFTXOABEBVBTSN-UHFFFAOYSA-N 0 0 259.349 2.818 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000206046646 397616671 /nfs/dbraw/zinc/61/66/71/397616671.db2.gz HXPUCXSNVNONLJ-UTCJRWHESA-N 0 0 295.298 2.592 20 10 CFCDRN Cc1cccc(O)c1C[NH2+]CCc1ccncc1C ZINC000825253291 782007206 /nfs/dbraw/zinc/00/72/06/782007206.db2.gz HHMCGCMMKHCGLZ-UHFFFAOYSA-N 0 0 256.349 2.736 20 10 CFCDRN CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000287573833 286902173 /nfs/dbraw/zinc/90/21/73/286902173.db2.gz GZHQUYXUSAWHRW-GFCCVEGCSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)(C)O ZINC000295127335 286921324 /nfs/dbraw/zinc/92/13/24/286921324.db2.gz ZLRGMTWHXFNRBF-GZMMTYOYSA-N 0 0 273.323 2.871 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(N)cc1)c1cccs1 ZINC000152519041 261064725 /nfs/dbraw/zinc/06/47/25/261064725.db2.gz ITZHOYAYIZTHFA-NSHDSACASA-N 0 0 274.389 2.793 20 10 CFCDRN CCc1ccccc1OCC(=O)NCCc1ccc(N)cc1 ZINC000152492160 261065055 /nfs/dbraw/zinc/06/50/55/261065055.db2.gz XJTWSRBDWYYZBM-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN COc1ccc([C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000152559471 261065905 /nfs/dbraw/zinc/06/59/05/261065905.db2.gz KAWIOZMQRQRFIF-CYBMUJFWSA-N 0 0 298.386 2.740 20 10 CFCDRN COCCC1(C(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000152576903 261066160 /nfs/dbraw/zinc/06/61/60/261066160.db2.gz JTHZBFLONICWNH-UHFFFAOYSA-N 0 0 290.407 2.524 20 10 CFCDRN CC[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000156166252 261115350 /nfs/dbraw/zinc/11/53/50/261115350.db2.gz QAJQNMQZFPQJKB-LBPRGKRZSA-N 0 0 262.378 2.950 20 10 CFCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc(F)c(Cl)c1 ZINC000492773771 262236265 /nfs/dbraw/zinc/23/62/65/262236265.db2.gz VSFUBEHPDWYHQE-GORDUTHDSA-N 0 0 279.702 2.878 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccccc1O ZINC000263664005 262850796 /nfs/dbraw/zinc/85/07/96/262850796.db2.gz AQZDWDLRYBKDQA-QWRGUYRKSA-N 0 0 250.342 2.626 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000367972954 267131921 /nfs/dbraw/zinc/13/19/21/267131921.db2.gz NMORDKHRGZYGTC-ZYHUDNBSSA-N 0 0 292.335 2.683 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC12CCC(CC1)C2 ZINC000368035096 267138768 /nfs/dbraw/zinc/13/87/68/267138768.db2.gz LXBOFLNLRASIIF-DUXPYHPUSA-N 0 0 287.359 2.808 20 10 CFCDRN Cc1c([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2[O-])cnn1C ZINC000368463298 267175005 /nfs/dbraw/zinc/17/50/05/267175005.db2.gz XZROENVSOBKGCG-HNNXBMFYSA-N 0 0 289.354 2.910 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCC2)CC1 ZINC000368549611 267183758 /nfs/dbraw/zinc/18/37/58/267183758.db2.gz DACMFFRTCMBJOE-HWKANZROSA-N 0 0 287.359 2.904 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOCC(F)(F)C1 ZINC000368586293 267188843 /nfs/dbraw/zinc/18/88/43/267188843.db2.gz XIILRZMLZMNRDK-UHFFFAOYSA-N 0 0 277.698 2.513 20 10 CFCDRN Cc1ccn(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000369289921 267232246 /nfs/dbraw/zinc/23/22/46/267232246.db2.gz GRSRXJKRSZZOIM-UHFFFAOYSA-N 0 0 289.354 2.873 20 10 CFCDRN Cc1[nH]ccc1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371553124 267428116 /nfs/dbraw/zinc/42/81/16/267428116.db2.gz MFLTXOBUQRUDMX-UHFFFAOYSA-N 0 0 295.386 2.929 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287726609 288076814 /nfs/dbraw/zinc/07/68/14/288076814.db2.gz OXUXHHQJAAVGOA-SKDRFNHKSA-N 0 0 257.761 2.857 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000293988004 280061669 /nfs/dbraw/zinc/06/16/69/280061669.db2.gz RGQGWRCLMIJMKK-ZDUSSCGKSA-N 0 0 263.337 2.604 20 10 CFCDRN COc1ccc(O)c(CN(CC(F)F)C2CC2)c1 ZINC000180155218 295166110 /nfs/dbraw/zinc/16/61/10/295166110.db2.gz LLMRQOPQCZULDB-UHFFFAOYSA-N 0 0 257.280 2.630 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCCc2cc(F)ccc21 ZINC000491120990 332152247 /nfs/dbraw/zinc/15/22/47/332152247.db2.gz RZRTZQSASIWCTR-XQRVVYSFSA-N 0 0 283.306 2.608 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(F)cc1 ZINC000491150368 332157104 /nfs/dbraw/zinc/15/71/04/332157104.db2.gz FNBGQXTXSVQSFX-VMPITWQZSA-N 0 0 271.295 2.682 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(O)c1)c1ccc(OC)cc1 ZINC000492397894 332395639 /nfs/dbraw/zinc/39/56/39/332395639.db2.gz KRKZTOMLIIPFSC-WTKPLQERSA-N 0 0 298.342 2.862 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000492540617 332402210 /nfs/dbraw/zinc/40/22/10/332402210.db2.gz WUZKYCVHPXACIH-UTCJRWHESA-N 0 0 296.326 2.795 20 10 CFCDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCc2ccncc21 ZINC000492547366 332402696 /nfs/dbraw/zinc/40/26/96/332402696.db2.gz GTMKRSWDZOKSQH-RQOWECAXSA-N 0 0 285.734 2.733 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCOc2ccccc21 ZINC000186115592 333155261 /nfs/dbraw/zinc/15/52/61/333155261.db2.gz MXDHBNYYULMVSF-VOTSOKGWSA-N 0 0 286.356 2.890 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1 ZINC000173191495 335129126 /nfs/dbraw/zinc/12/91/26/335129126.db2.gz MKWFDHNLRPWIGW-UHFFFAOYSA-N 0 0 282.343 2.792 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccs1 ZINC000173206179 335129588 /nfs/dbraw/zinc/12/95/88/335129588.db2.gz QWJCVJKYKCNCCU-UHFFFAOYSA-N 0 0 288.372 2.853 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccco1 ZINC000528862851 333462387 /nfs/dbraw/zinc/46/23/87/333462387.db2.gz OCUQKZMQFLWJTQ-SNVBAGLBSA-N 0 0 275.304 2.501 20 10 CFCDRN CN(C(=O)/C=C/c1cnc2ccccc2n1)c1ccccn1 ZINC000134555542 334095039 /nfs/dbraw/zinc/09/50/39/334095039.db2.gz MADODWCVCNJQSG-MDZDMXLPSA-N 0 0 290.326 2.701 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1=CCCCCC1 ZINC000828912076 782113360 /nfs/dbraw/zinc/11/33/60/782113360.db2.gz RFPHQVUOFAQTCV-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN CC(C)OCCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272249122 519761820 /nfs/dbraw/zinc/76/18/20/519761820.db2.gz HXISYUIYJPDKNG-UHFFFAOYSA-N 0 0 255.333 2.778 20 10 CFCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000280473532 520474412 /nfs/dbraw/zinc/47/44/12/520474412.db2.gz NJCHCDCTKQMKLX-LLVKDONJSA-N 0 0 290.190 2.902 20 10 CFCDRN CCCS(=O)(=O)CCN(C)c1ccc(OC(C)C)cc1 ZINC000191586624 520510114 /nfs/dbraw/zinc/51/01/14/520510114.db2.gz CFFQMUVJEZIABK-UHFFFAOYSA-N 0 0 299.436 2.735 20 10 CFCDRN CN(Cc1cccs1)C(=O)C1=CC(=O)CS1 ZINC000731867979 574132381 /nfs/dbraw/zinc/13/23/81/574132381.db2.gz GEZBRIMWTCWNGS-UHFFFAOYSA-N 0 0 253.348 2.787 20 10 CFCDRN O=C(OC[C@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000732354980 574153106 /nfs/dbraw/zinc/15/31/06/574153106.db2.gz YNBPRYCCPDXECC-RXMQYKEDSA-N 0 0 267.133 2.804 20 10 CFCDRN CCCCOCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747966 520784082 /nfs/dbraw/zinc/78/40/82/520784082.db2.gz WYQXXEINOALLGO-NSHDSACASA-N 0 0 255.333 2.999 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ncncc2Cl)cc1 ZINC000302735156 522174124 /nfs/dbraw/zinc/17/41/24/522174124.db2.gz YXEFZWLFDXCYJY-UHFFFAOYSA-N 0 0 276.771 2.832 20 10 CFCDRN CC(C)(C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157342621 518742315 /nfs/dbraw/zinc/74/23/15/518742315.db2.gz NFEQPWDRAXTBRJ-UHFFFAOYSA-N 0 0 276.380 2.869 20 10 CFCDRN CC(C)(C)[C@@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000194637773 518921984 /nfs/dbraw/zinc/92/19/84/518921984.db2.gz MOJPGWIPHDAGAV-LLVKDONJSA-N 0 0 257.761 2.542 20 10 CFCDRN CC(=O)C(=O)CSc1nccn1-c1ccc(C)c(C)c1 ZINC000289524947 519358548 /nfs/dbraw/zinc/35/85/48/519358548.db2.gz DMUFTRSRVVSDDG-UHFFFAOYSA-N 0 0 288.372 2.739 20 10 CFCDRN CC(C)C1(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000296507847 519553281 /nfs/dbraw/zinc/55/32/81/519553281.db2.gz GOLQPXMJDCJCKP-UHFFFAOYSA-N 0 0 275.396 2.740 20 10 CFCDRN CC(C)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000176037020 519562970 /nfs/dbraw/zinc/56/29/70/519562970.db2.gz QKGJWIVLJMHQSZ-UHFFFAOYSA-N 0 0 293.386 2.974 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccncn1 ZINC000275098074 519655135 /nfs/dbraw/zinc/65/51/35/519655135.db2.gz ODYLEDUCBRZUCV-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN CC(C)OCc1nc([C@H](C)NCc2ccccc2O)no1 ZINC000290772465 519776708 /nfs/dbraw/zinc/77/67/08/519776708.db2.gz CGCWITHXEVAHPM-NSHDSACASA-N 0 0 291.351 2.551 20 10 CFCDRN CC(C)Oc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236709204 519779431 /nfs/dbraw/zinc/77/94/31/519779431.db2.gz GXNMJIYCAYSCGA-UHFFFAOYSA-N 0 0 298.386 2.915 20 10 CFCDRN CC(C)Oc1ccc(N(C)CC[C@H]2CCOC2=O)cc1 ZINC000191594778 519780233 /nfs/dbraw/zinc/78/02/33/519780233.db2.gz YPZVLSNAWOAAGE-ZDUSSCGKSA-N 0 0 277.364 2.863 20 10 CFCDRN CCOCCN(CC)c1ccc(OC)c(OC)c1 ZINC000266056154 519911184 /nfs/dbraw/zinc/91/11/84/519911184.db2.gz VSJNXXFTZFXWES-UHFFFAOYSA-N 0 0 253.342 2.567 20 10 CFCDRN CCCCCCNC(=O)CSc1nccs1 ZINC000060760349 520086358 /nfs/dbraw/zinc/08/63/58/520086358.db2.gz SKOBCFDIKZJYEH-UHFFFAOYSA-N 0 0 258.412 2.932 20 10 CFCDRN CCCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278847102 520093412 /nfs/dbraw/zinc/09/34/12/520093412.db2.gz KTBURCQNXNHYNL-UHFFFAOYSA-N 0 0 282.340 2.979 20 10 CFCDRN CCCCCNC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000131427419 520189838 /nfs/dbraw/zinc/18/98/38/520189838.db2.gz HLEYCSIRDZCODB-UHFFFAOYSA-N 0 0 282.359 2.577 20 10 CFCDRN CCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278944461 520226558 /nfs/dbraw/zinc/22/65/58/520226558.db2.gz YFMJSUGOVGFNEP-UHFFFAOYSA-N 0 0 268.313 2.589 20 10 CFCDRN CCCOCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841410 520240583 /nfs/dbraw/zinc/24/05/83/520240583.db2.gz QBQGJOSVHOGBGC-UHFFFAOYSA-N 0 0 296.386 2.715 20 10 CFCDRN CCN(CC)c1ccc(CNC(C)(C)C(=O)OC)cc1 ZINC000037085149 520906584 /nfs/dbraw/zinc/90/65/84/520906584.db2.gz BTIOLRHIMNXEQG-UHFFFAOYSA-N 0 0 278.396 2.574 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncnn2C)cc1 ZINC000276662946 520911619 /nfs/dbraw/zinc/91/16/19/520911619.db2.gz JSHRLDRRYXBWDG-CYBMUJFWSA-N 0 0 287.411 2.512 20 10 CFCDRN CCN(CC)c1ccc(NC(=O)Cc2ccc(N)cc2)cn1 ZINC000192771496 520915068 /nfs/dbraw/zinc/91/50/68/520915068.db2.gz LXFMQTLFBKOVFJ-UHFFFAOYSA-N 0 0 298.390 2.691 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1ccccc1O ZINC000299622057 520973413 /nfs/dbraw/zinc/97/34/13/520973413.db2.gz ZWUGGOHHXWVOSU-LLVKDONJSA-N 0 0 267.394 2.930 20 10 CFCDRN CCC1(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000277565860 521668414 /nfs/dbraw/zinc/66/84/14/521668414.db2.gz PZWXZMAUBVXZMV-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCO1 ZINC000170731901 521687787 /nfs/dbraw/zinc/68/77/87/521687787.db2.gz YXUQVMTUHVYGIJ-AWEZNQCLSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)OC ZINC000264511809 521688815 /nfs/dbraw/zinc/68/88/15/521688815.db2.gz NEJXZCGPCJBNDY-CYBMUJFWSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(F)F ZINC000295371704 521689099 /nfs/dbraw/zinc/68/90/99/521689099.db2.gz WVIPEEIBRVFUEH-NSHDSACASA-N 0 0 269.291 2.786 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCOC1 ZINC000171302073 521689514 /nfs/dbraw/zinc/68/95/14/521689514.db2.gz NMJNKEHGEUGBPL-AWEZNQCLSA-N 0 0 277.364 2.557 20 10 CFCDRN CCCN(Cc1ccccc1O)c1ncc(F)cn1 ZINC000269527072 521690669 /nfs/dbraw/zinc/69/06/69/521690669.db2.gz XKONSVAMMDGJHA-UHFFFAOYSA-N 0 0 261.300 2.738 20 10 CFCDRN CCCN(Cc1nccn1C)Cc1ccccc1O ZINC000068973688 521695100 /nfs/dbraw/zinc/69/51/00/521695100.db2.gz KGBFBPHRGVOHSM-UHFFFAOYSA-N 0 0 259.353 2.538 20 10 CFCDRN CCOCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420983 521703657 /nfs/dbraw/zinc/70/36/57/521703657.db2.gz SAWDKKQQIYGCNL-NSHDSACASA-N 0 0 282.340 2.768 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278554664 521873274 /nfs/dbraw/zinc/87/32/74/521873274.db2.gz ZUONJZAMNQGFPO-UHFFFAOYSA-N 0 0 292.335 2.589 20 10 CFCDRN COCC[C@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000291175721 521994059 /nfs/dbraw/zinc/99/40/59/521994059.db2.gz FDNPWSXHODFKSJ-AWEZNQCLSA-N 0 0 299.798 2.591 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC(C)(C)O2)cc1 ZINC000279642793 522170677 /nfs/dbraw/zinc/17/06/77/522170677.db2.gz AWUGPQMQVSWMGZ-HNNXBMFYSA-N 0 0 290.407 2.669 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(CCF)CC2)cc1F ZINC000290186332 522185462 /nfs/dbraw/zinc/18/54/62/522185462.db2.gz NYTKMVNVSFUPKW-UHFFFAOYSA-N 0 0 282.334 2.648 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCOc2ccccc2)cc1 ZINC000015134652 522187656 /nfs/dbraw/zinc/18/76/56/522187656.db2.gz XZWHFYZFCMQVHP-UHFFFAOYSA-N 0 0 298.386 2.838 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2CCCC2)cc1 ZINC000031731283 522194249 /nfs/dbraw/zinc/19/42/49/522194249.db2.gz LYIIYCCIVWOATL-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC(C)(C)C2)cc1F ZINC000073915479 522194937 /nfs/dbraw/zinc/19/49/37/522194937.db2.gz ZURCPEOCMQELCN-UHFFFAOYSA-N 0 0 293.386 2.833 20 10 CFCDRN CN(C)c1ccc(OCc2nc(C3CC3)no2)cc1 ZINC000289414229 522238647 /nfs/dbraw/zinc/23/86/47/522238647.db2.gz PTTANONJDFBPMZ-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN COc1cc(N(C)CCSC)cc(OC)c1OC ZINC000172990223 522619980 /nfs/dbraw/zinc/61/99/80/522619980.db2.gz ZAGNTSXVKQRLQC-UHFFFAOYSA-N 0 0 271.382 2.512 20 10 CFCDRN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000286916771 522623188 /nfs/dbraw/zinc/62/31/88/522623188.db2.gz FKNIPIGACZDTPQ-DGFSRKRXSA-N 0 0 299.798 2.626 20 10 CFCDRN COC[C@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000080239815 522750038 /nfs/dbraw/zinc/75/00/38/522750038.db2.gz VUHZADYCOXZZGJ-HNNXBMFYSA-N 0 0 274.364 2.823 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000282812055 522903781 /nfs/dbraw/zinc/90/37/81/522903781.db2.gz RHXHQABAVGFLGO-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN COCC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000284970932 522907674 /nfs/dbraw/zinc/90/76/74/522907674.db2.gz IILGCMVPAZOMBU-UHFFFAOYSA-N 0 0 255.745 2.704 20 10 CFCDRN CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000275723350 522917665 /nfs/dbraw/zinc/91/76/65/522917665.db2.gz OBXNKBWTCNSYRW-SWLSCSKDSA-N 0 0 287.411 2.683 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCC(C)(F)F ZINC000297719285 523381359 /nfs/dbraw/zinc/38/13/59/523381359.db2.gz SKOGQESWDDOBAK-UHFFFAOYSA-N 0 0 272.295 2.579 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc2c([nH]1)CCCC2 ZINC000294813671 523384770 /nfs/dbraw/zinc/38/47/70/523384770.db2.gz JSEIQAQFWHZCEK-UHFFFAOYSA-N 0 0 284.359 2.871 20 10 CFCDRN CN(Cc1ccccc1O)c1cccc(-n2ccnc2)n1 ZINC000364953578 523388147 /nfs/dbraw/zinc/38/81/47/523388147.db2.gz LVGYIHDJXPZYER-UHFFFAOYSA-N 0 0 280.331 2.609 20 10 CFCDRN CN(Cc1ccccc1O)c1nc2ccccc2[nH]1 ZINC000302634091 523389265 /nfs/dbraw/zinc/38/92/65/523389265.db2.gz JWOGDNFZMZJSHW-UHFFFAOYSA-N 0 0 253.305 2.905 20 10 CFCDRN CC[C@H]1[C@H](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000187443361 523431970 /nfs/dbraw/zinc/43/19/70/523431970.db2.gz DOILBBLGVZEAFP-HASJVIIQSA-N 0 0 275.348 2.758 20 10 CFCDRN CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000096478359 523670993 /nfs/dbraw/zinc/67/09/93/523670993.db2.gz QYJMTEBBZLWFRH-GFCCVEGCSA-N 0 0 278.179 2.950 20 10 CFCDRN CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000191208858 523884482 /nfs/dbraw/zinc/88/44/82/523884482.db2.gz MWUHSYPZFMOCFO-SSDOTTSWSA-N 0 0 264.152 2.824 20 10 CFCDRN Cc1cc(C(=O)NOCC2CC2)c(C)n1-c1ccccn1 ZINC000293723633 524116350 /nfs/dbraw/zinc/11/63/50/524116350.db2.gz GWDGMQDBBXVGBI-UHFFFAOYSA-N 0 0 285.347 2.561 20 10 CFCDRN Cc1cccc(C)c1CCNC(=O)Cc1ccc(N)cc1 ZINC000237623806 524256873 /nfs/dbraw/zinc/25/68/73/524256873.db2.gz GPMCCTWGIYQIGO-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000264329464 524424830 /nfs/dbraw/zinc/42/48/30/524424830.db2.gz SEJJIOUSVWKDLB-IUODEOHRSA-N 0 0 275.396 2.740 20 10 CFCDRN COc1ccc(N2CCN(c3cccc(F)n3)CC2)cc1 ZINC000040711577 524436160 /nfs/dbraw/zinc/43/61/60/524436160.db2.gz VNKLUQHMCFSVHB-UHFFFAOYSA-N 0 0 287.338 2.556 20 10 CFCDRN C[C@@H](CCCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294887948 524459404 /nfs/dbraw/zinc/45/94/04/524459404.db2.gz WFZRUZPAEZKKGN-JTQLQIEISA-N 0 0 257.761 2.544 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@H]12 ZINC000193158868 524539448 /nfs/dbraw/zinc/53/94/48/524539448.db2.gz IAZJHZVAALKZGK-DMDPSCGWSA-N 0 0 275.348 2.749 20 10 CFCDRN C[C@@H]1CC[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181144689 524570556 /nfs/dbraw/zinc/57/05/56/524570556.db2.gz CDEAFOHSGIBCBN-RQDOONKYSA-N 0 0 275.348 2.758 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CC1 ZINC000291684301 524697075 /nfs/dbraw/zinc/69/70/75/524697075.db2.gz NGGKYWGFYJFGHN-SNVBAGLBSA-N 0 0 277.364 2.581 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265935664 524844387 /nfs/dbraw/zinc/84/43/87/524844387.db2.gz POCLLXCEXIHICA-DZGCQCFKSA-N 0 0 285.391 2.518 20 10 CFCDRN COc1ccnc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000301450118 524849083 /nfs/dbraw/zinc/84/90/83/524849083.db2.gz LEYBYDBTOHPVNW-UHFFFAOYSA-N 0 0 285.347 2.682 20 10 CFCDRN COc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302370201 524850060 /nfs/dbraw/zinc/85/00/60/524850060.db2.gz GPIKKULAHZEYTI-NSHDSACASA-N 0 0 272.352 2.724 20 10 CFCDRN Cc1ccccc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183482884 525097836 /nfs/dbraw/zinc/09/78/36/525097836.db2.gz CLCAGAAATSBONM-CYBMUJFWSA-N 0 0 299.370 2.696 20 10 CFCDRN Cc1cc(NCc2ccc3c(c2)CCCN3C)ncn1 ZINC000301239136 525278900 /nfs/dbraw/zinc/27/89/00/525278900.db2.gz LUCVFOLBDXVRRP-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN C[C@@H]1C[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000335834050 525308659 /nfs/dbraw/zinc/30/86/59/525308659.db2.gz LCZAZBZRZMNBSI-VXGBXAGGSA-N 0 0 274.364 2.524 20 10 CFCDRN C[C@H]([NH2+]CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273443962 525323386 /nfs/dbraw/zinc/32/33/86/525323386.db2.gz ZIUXSMKQTYXXPF-VIFPVBQESA-N 0 0 250.298 2.751 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(CO)cn2)cc1C ZINC000291518062 525325156 /nfs/dbraw/zinc/32/51/56/525325156.db2.gz IXDVRWQDESROMT-UHFFFAOYSA-N 0 0 258.321 2.508 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000279015627 525398030 /nfs/dbraw/zinc/39/80/30/525398030.db2.gz UFIJPJMZUNWAOL-RYUDHWBXSA-N 0 0 289.354 2.641 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC000158062023 525445878 /nfs/dbraw/zinc/44/58/78/525445878.db2.gz PRWPWPATQFVBTJ-NSHDSACASA-N 0 0 296.386 2.712 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273613394 525474581 /nfs/dbraw/zinc/47/45/81/525474581.db2.gz WTASXPAODPFTAZ-PWSUYJOCSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126005935 525520545 /nfs/dbraw/zinc/52/05/45/525520545.db2.gz WLLVKDNQMXSBSI-SUMWQHHRSA-N 0 0 297.402 2.630 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000300418731 525577760 /nfs/dbraw/zinc/57/77/60/525577760.db2.gz BCGGUGWTYJDBFB-RJIBLYRGSA-N 0 0 265.328 2.749 20 10 CFCDRN Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccccc1O)C2 ZINC000266530640 525596074 /nfs/dbraw/zinc/59/60/74/525596074.db2.gz KAIHGTLGCSVBJP-KRWDZBQOSA-N 0 0 297.354 2.629 20 10 CFCDRN COc1cccc(CNC(=O)CCC2CCC2)c1O ZINC000175257933 525965439 /nfs/dbraw/zinc/96/54/39/525965439.db2.gz LNAPHEPFHHMRBU-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN Cc1cnc(C(C)(C)NC(=O)c2cccc(O)c2O)s1 ZINC000298203806 525978944 /nfs/dbraw/zinc/97/89/44/525978944.db2.gz GBUDXLGWCNSWBU-UHFFFAOYSA-N 0 0 292.360 2.528 20 10 CFCDRN COc1cccc(CNc2ccc3c(c2)CCO3)c1O ZINC000037103851 526043499 /nfs/dbraw/zinc/04/34/99/526043499.db2.gz LFRZRHPRSFHXGB-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN COc1cccc(CNc2nccnc2OC(C)C)c1O ZINC000302214289 526047274 /nfs/dbraw/zinc/04/72/74/526047274.db2.gz IHBXLRQKAAQBSS-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN Cc1cc(C(=O)N(C)CC2CC2)c(C)n1-c1ccccn1 ZINC000298943193 526220100 /nfs/dbraw/zinc/22/01/00/526220100.db2.gz HOCSDRLRDLFLBC-UHFFFAOYSA-N 0 0 283.375 2.971 20 10 CFCDRN O=C(C=C1CCC1)NCc1cccc(Br)c1O ZINC000277658270 526316107 /nfs/dbraw/zinc/31/61/07/526316107.db2.gz ZQUQBCKHZJAQJW-UHFFFAOYSA-N 0 0 296.164 2.881 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCSC1 ZINC000230704653 526325004 /nfs/dbraw/zinc/32/50/04/526325004.db2.gz AQQRCWAFMHDZNV-VIFPVBQESA-N 0 0 288.210 2.750 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000164753888 526326297 /nfs/dbraw/zinc/32/62/97/526326297.db2.gz NAJHLUWAUHKGPS-SNVBAGLBSA-N 0 0 289.853 2.984 20 10 CFCDRN Oc1c(Cl)cccc1CN1C[C@H](O)Cc2ccccc21 ZINC000279349873 526327065 /nfs/dbraw/zinc/32/70/65/526327065.db2.gz GEXHOMBATVKFEN-CYBMUJFWSA-N 0 0 289.762 2.969 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366696862 526328104 /nfs/dbraw/zinc/32/81/04/526328104.db2.gz PRFDQRLGKREQEA-SMDDNHRTSA-N 0 0 265.328 2.532 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000365147364 526346894 /nfs/dbraw/zinc/34/68/94/526346894.db2.gz NUOMZZOYBAADKM-VIFPVBQESA-N 0 0 295.745 2.555 20 10 CFCDRN Cc1nnc([C@H](C)N[C@@H](C)c2ccccc2O)s1 ZINC000274275161 526405412 /nfs/dbraw/zinc/40/54/12/526405412.db2.gz XKENSQJMEMLXIT-IUCAKERBSA-N 0 0 263.366 2.964 20 10 CFCDRN Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000292224544 526524319 /nfs/dbraw/zinc/52/43/19/526524319.db2.gz RBIKNOKEJDMWOQ-UHFFFAOYSA-N 0 0 287.411 2.590 20 10 CFCDRN Cc1noc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000277025572 526613717 /nfs/dbraw/zinc/61/37/17/526613717.db2.gz ATAOJHUBLMLFFH-UHFFFAOYSA-N 0 0 261.325 2.802 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1=COCCC1 ZINC000174516936 526635369 /nfs/dbraw/zinc/63/53/69/526635369.db2.gz RVQHWUIRBQBAMJ-UHFFFAOYSA-N 0 0 287.359 2.582 20 10 CFCDRN Cc1nsc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000266217694 526714738 /nfs/dbraw/zinc/71/47/38/526714738.db2.gz HGGJQRULNUSZSP-UHFFFAOYSA-N 0 0 272.377 2.835 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2occc21 ZINC000299532689 526753537 /nfs/dbraw/zinc/75/35/37/526753537.db2.gz SPGXWXRNQWWRPA-ZDUSSCGKSA-N 0 0 286.331 2.862 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccoc1C1CC1 ZINC000282887467 526755091 /nfs/dbraw/zinc/75/50/91/526755091.db2.gz WAFGKMIVNORLOK-UHFFFAOYSA-N 0 0 257.289 2.793 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000266554387 526755299 /nfs/dbraw/zinc/75/52/99/526755299.db2.gz MVLDUEZGIFGNBX-VQIMIIECSA-N 0 0 293.366 2.913 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)C=CCC1 ZINC000935309506 649896603 /nfs/dbraw/zinc/89/66/03/649896603.db2.gz CPPOMOFWICWWRO-ZBEGNZNMSA-N 0 0 275.348 2.501 20 10 CFCDRN Cc1cc(-c2nc(C)nc3c2ccn3C)cnc1F ZINC001243396566 782181186 /nfs/dbraw/zinc/18/11/86/782181186.db2.gz ZJYSPVSQGBXTMM-UHFFFAOYSA-N 0 0 256.284 2.786 20 10 CFCDRN CN(CCCc1ccncc1)c1ccc2c(c1)OCO2 ZINC000753930105 574055488 /nfs/dbraw/zinc/05/54/88/574055488.db2.gz URBMOYYLKDGUMW-UHFFFAOYSA-N 0 0 270.332 2.879 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1F ZINC000754062422 574067317 /nfs/dbraw/zinc/06/73/17/574067317.db2.gz SMAUSVXPQDEHMB-UHFFFAOYSA-N 0 0 289.354 2.932 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(OC)CCCC2)c1 ZINC000754217311 574082723 /nfs/dbraw/zinc/08/27/23/574082723.db2.gz SSVMSODMXDRHND-LLVKDONJSA-N 0 0 293.363 2.537 20 10 CFCDRN CCC[C@](C)([NH2+]Cc1cc(C)c(C)cc1O)C(=O)[O-] ZINC000736962907 574087852 /nfs/dbraw/zinc/08/78/52/574087852.db2.gz QHDOGKZIAKTTQW-HNNXBMFYSA-N 0 0 265.353 2.742 20 10 CFCDRN CCN1C(=O)/C(=C/c2cccnc2C)SC1=S ZINC000728785587 574109605 /nfs/dbraw/zinc/10/96/05/574109605.db2.gz LPXCQFAGFACTHJ-YFHOEESVSA-N 0 0 264.375 2.611 20 10 CFCDRN CCc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)s1 ZINC000731158912 574111863 /nfs/dbraw/zinc/11/18/63/574111863.db2.gz LLUNCOPCMVTBJA-UVTDQMKNSA-N 0 0 298.367 2.772 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000756482819 574121568 /nfs/dbraw/zinc/12/15/68/574121568.db2.gz MERCFGKQBFSMIN-WDEREUQCSA-N 0 0 277.364 2.876 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C\c1cnn(C)c1 ZINC000731582796 574124313 /nfs/dbraw/zinc/12/43/13/574124313.db2.gz DRRVBCPNWLTWEK-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN CO[C@@]1(C)C[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1(C)C ZINC000754908420 574127235 /nfs/dbraw/zinc/12/72/35/574127235.db2.gz VKAJTUJFWAHPKK-RISCZKNCSA-N 0 0 283.393 2.729 20 10 CFCDRN Cc1ccc(CNC(=O)C2=CC(=O)CS2)s1 ZINC000731871324 574131442 /nfs/dbraw/zinc/13/14/42/574131442.db2.gz BSPDBEXZIMIBTQ-UHFFFAOYSA-N 0 0 253.348 2.754 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)N2CCCCC2)cc1 ZINC000746158886 574137690 /nfs/dbraw/zinc/13/76/90/574137690.db2.gz KTYIYHNLYFSNGA-UHFFFAOYSA-N 0 0 290.407 2.924 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)C)CC(C)C)cc1 ZINC000746171299 574139061 /nfs/dbraw/zinc/13/90/61/574139061.db2.gz YVKGNYCDHTUYLQ-UHFFFAOYSA-N 0 0 278.396 2.682 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccnc2)c1 ZINC000728938959 574139920 /nfs/dbraw/zinc/13/99/20/574139920.db2.gz SFXSXJDHFRCPMO-SNVBAGLBSA-N 0 0 287.319 2.679 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2C=CCC2)c1 ZINC000728985450 574143463 /nfs/dbraw/zinc/14/34/63/574143463.db2.gz XTZYNLDAEDUZCX-VXGBXAGGSA-N 0 0 275.348 2.934 20 10 CFCDRN C[C@H](Cc1cccs1)NC(=O)C1=CC(=O)CS1 ZINC000732268416 574148008 /nfs/dbraw/zinc/14/80/08/574148008.db2.gz GJYWKTCVXPGZCU-MRVPVSSYSA-N 0 0 267.375 2.876 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1ccncc1 ZINC000732265677 574148060 /nfs/dbraw/zinc/14/80/60/574148060.db2.gz FPQYVEWTEMADEG-LBPRGKRZSA-N 0 0 274.345 2.826 20 10 CFCDRN CN(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000732270112 574148811 /nfs/dbraw/zinc/14/88/11/574148811.db2.gz ZXFUSBDUYIRWCK-NSHDSACASA-N 0 0 296.417 2.548 20 10 CFCDRN COc1c(F)cc(NC(=O)C2=CC(=O)CS2)cc1F ZINC000732275220 574149333 /nfs/dbraw/zinc/14/93/33/574149333.db2.gz GTOGMRHARINPTC-UHFFFAOYSA-N 0 0 285.271 2.993 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(O)c1 ZINC000732281755 574149957 /nfs/dbraw/zinc/14/99/57/574149957.db2.gz CGHNXAOGVHWFSK-MRVPVSSYSA-N 0 0 263.318 2.650 20 10 CFCDRN O=C(Nc1cnn(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC000732280347 574150261 /nfs/dbraw/zinc/15/02/61/574150261.db2.gz XNUMGFWSYCPPBR-UHFFFAOYSA-N 0 0 285.328 2.892 20 10 CFCDRN CCN(C)c1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732289544 574150839 /nfs/dbraw/zinc/15/08/39/574150839.db2.gz SWAJTLGTOSGHCA-UHFFFAOYSA-N 0 0 290.388 2.840 20 10 CFCDRN CC(C)c1noc([C@@H](C)OC(=O)C2=CC(=O)CS2)n1 ZINC000732353829 574152682 /nfs/dbraw/zinc/15/26/82/574152682.db2.gz ATHQSICEYGDIMX-SSDOTTSWSA-N 0 0 282.321 2.878 20 10 CFCDRN CC(C)c1noc([C@H](C)OC(=O)C2=CC(=O)CS2)n1 ZINC000732353830 574152844 /nfs/dbraw/zinc/15/28/44/574152844.db2.gz ATHQSICEYGDIMX-ZETCQYMHSA-N 0 0 282.321 2.878 20 10 CFCDRN COC(=O)c1ccc([C@@H](C)OC(=O)C2=CC(=O)CS2)o1 ZINC000732352657 574152978 /nfs/dbraw/zinc/15/29/78/574152978.db2.gz AWUIFQQTDFOJCQ-SSDOTTSWSA-N 0 0 296.300 2.751 20 10 CFCDRN COc1cccc(CNC(=O)CCc2ccc(C)o2)c1O ZINC000746689706 574163371 /nfs/dbraw/zinc/16/33/71/574163371.db2.gz UPZNCILNBFQZKU-UHFFFAOYSA-N 0 0 289.331 2.551 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccccc2O)o1 ZINC000746689373 574163375 /nfs/dbraw/zinc/16/33/75/574163375.db2.gz PYVVGUCUKWHYTP-UHFFFAOYSA-N 0 0 259.305 2.543 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746722287 574164683 /nfs/dbraw/zinc/16/46/83/574164683.db2.gz RPHGSTMGZZBMBY-SWLSCSKDSA-N 0 0 287.407 2.524 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746722289 574164766 /nfs/dbraw/zinc/16/47/66/574164766.db2.gz RPHGSTMGZZBMBY-WFASDCNBSA-N 0 0 287.407 2.524 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1nccn1C(F)F ZINC000738430066 574168258 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285.343 2.821 20 10 CFCDRN O=C(NCc1ccccc1O)C1=NO[C@H](c2ccccc2)C1 ZINC000748346328 574247803 /nfs/dbraw/zinc/24/78/03/574247803.db2.gz VKUOEPSVTCSKFJ-INIZCTEOSA-N 0 0 296.326 2.526 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)nn1C(C)(C)C ZINC000748346321 574247936 /nfs/dbraw/zinc/24/79/36/574247936.db2.gz VIWAZLWSYSAOFG-UHFFFAOYSA-N 0 0 287.363 2.582 20 10 CFCDRN CC(=O)c1ccc(C(=O)NCc2ccccc2O)s1 ZINC000748350613 574248466 /nfs/dbraw/zinc/24/84/66/574248466.db2.gz YMCFKMFONXKFMN-UHFFFAOYSA-N 0 0 275.329 2.586 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756570805 574248753 /nfs/dbraw/zinc/24/87/53/574248753.db2.gz BLEWBLHIVLNVAT-RVBZMBCESA-N 0 0 273.323 2.728 20 10 CFCDRN CC[C@@H](COC)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756589946 574251140 /nfs/dbraw/zinc/25/11/40/574251140.db2.gz BZICGYIQVMNILA-SCZZXKLOSA-N 0 0 259.296 2.746 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1nccs1 ZINC000730086000 574251536 /nfs/dbraw/zinc/25/15/36/574251536.db2.gz 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ZINC000832431124 625332151 /nfs/dbraw/zinc/33/21/51/625332151.db2.gz KMNLEMYVLNYKBE-WBMJQRKESA-N 0 0 290.407 2.745 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894564021 619418978 /nfs/dbraw/zinc/41/89/78/619418978.db2.gz YSJQLSIWVHOJKL-VIFPVBQESA-N 0 0 273.348 2.998 20 10 CFCDRN COc1cc(C)cc(CN2CC(C(F)(F)F)C2)c1O ZINC000894889969 619499682 /nfs/dbraw/zinc/49/96/82/619499682.db2.gz BRSLSFZPXCCADL-UHFFFAOYSA-N 0 0 275.270 2.703 20 10 CFCDRN COc1cc(C)cc(CNc2cccc(CCO)c2)c1O ZINC000894942574 619514487 /nfs/dbraw/zinc/51/44/87/619514487.db2.gz MJYAFERGGWVWIT-UHFFFAOYSA-N 0 0 287.359 2.856 20 10 CFCDRN CCc1cc(N2Cc3cccc(O)c3C2)nc(CC)n1 ZINC000894990242 619521958 /nfs/dbraw/zinc/52/19/58/619521958.db2.gz ASLXKNIKVSQZOU-UHFFFAOYSA-N 0 0 269.348 2.827 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](C)CO1 ZINC000895525864 619546931 /nfs/dbraw/zinc/54/69/31/619546931.db2.gz BXBOOGRXUZOBDR-BBRMVZONSA-N 0 0 290.407 2.526 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccns1 ZINC000895528891 619547797 /nfs/dbraw/zinc/54/77/97/619547797.db2.gz ABELOHXSZUGQKR-UHFFFAOYSA-N 0 0 286.759 2.974 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895843831 619617305 /nfs/dbraw/zinc/61/73/05/619617305.db2.gz DAJOLPFMSVXNRW-CZUORRHYSA-N 0 0 261.365 2.702 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843832 619617446 /nfs/dbraw/zinc/61/74/46/619617446.db2.gz DAJOLPFMSVXNRW-XJKSGUPXSA-N 0 0 261.365 2.702 20 10 CFCDRN COC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000895854375 619623408 /nfs/dbraw/zinc/62/34/08/619623408.db2.gz KJFWDLBTPYNKPX-JSGCOSHPSA-N 0 0 299.798 2.577 20 10 CFCDRN CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895999206 619650729 /nfs/dbraw/zinc/65/07/29/619650729.db2.gz NKTMCVZUGONBEG-UHFFFAOYSA-N 0 0 265.334 2.795 20 10 CFCDRN CCc1ccc(NCc2ccc(OC)c(OC)c2O)nc1 ZINC000896031077 619656889 /nfs/dbraw/zinc/65/68/89/619656889.db2.gz PSITVMSYRRFHMW-UHFFFAOYSA-N 0 0 288.347 2.979 20 10 CFCDRN Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)no1 ZINC000896237777 619702080 /nfs/dbraw/zinc/70/20/80/619702080.db2.gz OKDJOJRGQXJKAN-NSHDSACASA-N 0 0 293.754 2.727 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000896642894 619777848 /nfs/dbraw/zinc/77/78/48/619777848.db2.gz SDJLPAFSGXWMOE-CYBMUJFWSA-N 0 0 286.350 2.964 20 10 CFCDRN COc1cc(C)c(C[NH2+]Cc2c([O-])cccc2F)c(C)n1 ZINC000896636227 619779460 /nfs/dbraw/zinc/77/94/60/619779460.db2.gz AXALPGOPCVABLC-UHFFFAOYSA-N 0 0 290.338 2.842 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]CC1CCSCC1 ZINC000896637111 619779854 /nfs/dbraw/zinc/77/98/54/619779854.db2.gz HOFQTUSESKZJOM-UHFFFAOYSA-N 0 0 255.358 2.764 20 10 CFCDRN COc1cc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2F)ccn1 ZINC000896638522 619780993 /nfs/dbraw/zinc/78/09/93/619780993.db2.gz QTGUNTVZXJYQFT-LLVKDONJSA-N 0 0 290.338 2.656 20 10 CFCDRN CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896831652 619834096 /nfs/dbraw/zinc/83/40/96/619834096.db2.gz OIFXCWICSHURCD-UHFFFAOYSA-N 0 0 277.345 2.842 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(O)(C3CCC3)CC2)ccc(F)c1F ZINC000897033879 619916797 /nfs/dbraw/zinc/91/67/97/619916797.db2.gz DTRMTPKAHHHLRK-UHFFFAOYSA-N 0 0 297.345 2.797 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC(F)(F)F)c1 ZINC000173130885 619986987 /nfs/dbraw/zinc/98/69/87/619986987.db2.gz QHBRNCLSGMCJAM-MRVPVSSYSA-N 0 0 291.269 2.921 20 10 CFCDRN C[C@H]1CCC[C@H](OCC(=O)NCc2c(O)cccc2F)C1 ZINC000928706732 619995798 /nfs/dbraw/zinc/99/57/98/619995798.db2.gz YPPNYIJBPSXOLG-RYUDHWBXSA-N 0 0 295.354 2.743 20 10 CFCDRN C[C@H]1CCC[C@@H](OCC(=O)NCc2c(O)cccc2F)C1 ZINC000928706731 619995879 /nfs/dbraw/zinc/99/58/79/619995879.db2.gz YPPNYIJBPSXOLG-NWDGAFQWSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(C[C@H]1CCC(F)(F)C1)NCc1c(O)cccc1F ZINC000928707128 619996085 /nfs/dbraw/zinc/99/60/85/619996085.db2.gz APHJGHGWAHBWEI-SECBINFHSA-N 0 0 287.281 2.973 20 10 CFCDRN Cc1cc(CSc2ncc([N+](=O)[O-])s2)no1 ZINC000897334238 619998790 /nfs/dbraw/zinc/99/87/90/619998790.db2.gz POCKNPPCYVVYRT-UHFFFAOYSA-N 0 0 257.296 2.640 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2)c1 ZINC000728984382 620048196 /nfs/dbraw/zinc/04/81/96/620048196.db2.gz PBFLJVVMEQGHLN-NSHDSACASA-N 0 0 271.316 2.892 20 10 CFCDRN COc1cccc2c1CC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000237344671 620185850 /nfs/dbraw/zinc/18/58/50/620185850.db2.gz YOBYQCRFCHOJBN-MRXNPFEDSA-N 0 0 296.370 2.624 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528819 620216422 /nfs/dbraw/zinc/21/64/22/620216422.db2.gz PUULEXPBEFUBAG-UHFFFAOYSA-N 0 0 281.783 2.830 20 10 CFCDRN C[C@H](N[C@@H](C)c1ccc(Cl)cc1O)c1ncn(C)n1 ZINC000841753436 620235914 /nfs/dbraw/zinc/23/59/14/620235914.db2.gz SZKHBDINBRNICD-IUCAKERBSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@H](F)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897851531 620294234 /nfs/dbraw/zinc/29/42/34/620294234.db2.gz BDPHRSUZDXGISN-ZETCQYMHSA-N 0 0 283.324 2.790 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1C ZINC000897853915 620294531 /nfs/dbraw/zinc/29/45/31/620294531.db2.gz PZWWKMHCJZNRRC-HTQZYQBOSA-N 0 0 277.345 2.793 20 10 CFCDRN Cc1noc(C2(NC/C=C/c3ccc(N(C)C)cc3)CC2)n1 ZINC000897895980 620299605 /nfs/dbraw/zinc/29/96/05/620299605.db2.gz MCUWLAGQZDPBEA-SNAWJCMRSA-N 0 0 298.390 2.736 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)ccc(F)c1F ZINC000897960085 620312594 /nfs/dbraw/zinc/31/25/94/620312594.db2.gz YSLDNJYURIBHIP-MKPLZMMCSA-N 0 0 253.292 2.949 20 10 CFCDRN C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218189 620347005 /nfs/dbraw/zinc/34/70/05/620347005.db2.gz AFAUHNJICRENAM-JQWIXIFHSA-N 0 0 296.798 2.583 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000898218562 620347055 /nfs/dbraw/zinc/34/70/55/620347055.db2.gz KBZUQBVFDLXQOU-UHFFFAOYSA-N 0 0 277.755 2.735 20 10 CFCDRN Cn1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])c1Cl ZINC000898219578 620347091 /nfs/dbraw/zinc/34/70/91/620347091.db2.gz ZWEGXICIJVJQHO-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN COC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000898218843 620347136 /nfs/dbraw/zinc/34/71/36/620347136.db2.gz QTANKFLHEHRKIR-UHFFFAOYSA-N 0 0 297.782 2.867 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC[C@H]1CCO1 ZINC000898219076 620347249 /nfs/dbraw/zinc/34/72/49/620347249.db2.gz UHBHQFKZYJJAEW-NSHDSACASA-N 0 0 255.745 2.704 20 10 CFCDRN CN(C)c1ccncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218823 620347313 /nfs/dbraw/zinc/34/73/13/620347313.db2.gz QBEBTFNPGRGXRA-UHFFFAOYSA-N 0 0 291.782 2.796 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cncs1 ZINC000898180420 620348150 /nfs/dbraw/zinc/34/81/50/620348150.db2.gz ZGYYDURGZGMTIW-VHSXEESVSA-N 0 0 291.376 2.970 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898381587 620378399 /nfs/dbraw/zinc/37/83/99/620378399.db2.gz JCTJYRJWPJQEPF-ZYHUDNBSSA-N 0 0 285.746 2.699 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927015340 620439789 /nfs/dbraw/zinc/43/97/89/620439789.db2.gz AWZHFJAQSXHYPE-ABAIWWIYSA-N 0 0 294.351 2.910 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927015341 620439839 /nfs/dbraw/zinc/43/98/39/620439839.db2.gz AWZHFJAQSXHYPE-IAQYHMDHSA-N 0 0 294.351 2.910 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000927020048 620440600 /nfs/dbraw/zinc/44/06/00/620440600.db2.gz WEGDGJVFHJGCOJ-JQWIXIFHSA-N 0 0 255.333 2.733 20 10 CFCDRN O=C(NC/C=C\Cl)NCc1c(O)ccc2c1CCCC2 ZINC000899052181 620519217 /nfs/dbraw/zinc/51/92/17/620519217.db2.gz UVYGZXMVYNTDJY-BAQGIRSFSA-N 0 0 294.782 2.823 20 10 CFCDRN C[C@@H](NC(=O)C[C@H]1CC(C)(C)CO1)c1ccccc1O ZINC000899181657 620528510 /nfs/dbraw/zinc/52/85/10/620528510.db2.gz JJWYMYCHPXUQRL-NEPJUHHUSA-N 0 0 277.364 2.775 20 10 CFCDRN CCn1cnc(/C=C2\c3cccc4c3N(CCC4)C2=O)c1 ZINC000899385290 620557276 /nfs/dbraw/zinc/55/72/76/620557276.db2.gz SKDCNASKWAKJKW-OQLLNIDSSA-N 0 0 279.343 2.736 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(CC(F)F)C1CCC1 ZINC000899786177 620599434 /nfs/dbraw/zinc/59/94/34/620599434.db2.gz OQDGSNDENRSVME-UHFFFAOYSA-N 0 0 261.293 2.714 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC(C2CC2)CC1 ZINC000832645443 625448036 /nfs/dbraw/zinc/44/80/36/625448036.db2.gz LCDYEHBRHRUOGF-UHFFFAOYSA-N 0 0 251.351 2.716 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CCCc3cccc(F)c32)c1 ZINC000901838813 620925826 /nfs/dbraw/zinc/92/58/26/620925826.db2.gz DYQFBPGEHZBKOE-FPLPWBNLSA-N 0 0 285.322 2.552 20 10 CFCDRN CCn1cccc(NCc2ccc(N(C)C)cc2)c1=O ZINC000902114159 620981521 /nfs/dbraw/zinc/98/15/21/620981521.db2.gz MMYOLGPTBCBPJJ-UHFFFAOYSA-N 0 0 271.364 2.546 20 10 CFCDRN c1nsnc1COc1ccc(N2CCCC2)cc1 ZINC000902282964 621014337 /nfs/dbraw/zinc/01/43/37/621014337.db2.gz HIUYSPWVMUHKAO-UHFFFAOYSA-N 0 0 261.350 2.717 20 10 CFCDRN C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000902482389 621109674 /nfs/dbraw/zinc/10/96/74/621109674.db2.gz KPFUMGNMHHLAPN-ZYHUDNBSSA-N 0 0 284.350 2.853 20 10 CFCDRN CC(C)[C@H](N[C@H](C)c1c(O)cccc1F)c1nncn1C ZINC000903063728 621238290 /nfs/dbraw/zinc/23/82/90/621238290.db2.gz HKXOIKKULQGKEI-YGRLFVJLSA-N 0 0 292.358 2.708 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)OCC(F)(F)F ZINC000903045555 621240501 /nfs/dbraw/zinc/24/05/01/621240501.db2.gz POHLUHBWPRVAON-UHFFFAOYSA-N 0 0 283.633 2.834 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000903299392 621314558 /nfs/dbraw/zinc/31/45/58/621314558.db2.gz AUTDBFNIYKGMSS-CWSCBRNRSA-N 0 0 268.788 2.789 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903323655 621324087 /nfs/dbraw/zinc/32/40/87/621324087.db2.gz CEWZQEBMNLBJGR-ZBEGNZNMSA-N 0 0 299.374 2.993 20 10 CFCDRN CC(C)O[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000903357552 621347462 /nfs/dbraw/zinc/34/74/62/621347462.db2.gz NMMSOZZIUSOZKK-MLGOLLRUSA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1c([O-])cccc1F ZINC000903441674 621371371 /nfs/dbraw/zinc/37/13/71/621371371.db2.gz CHJIFCBIDFHVMP-NCAQKEMTSA-N 0 0 287.334 2.840 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000903452354 621387491 /nfs/dbraw/zinc/38/74/91/621387491.db2.gz MHVZBIPCIJAMIB-TUAOUCFPSA-N 0 0 295.354 2.914 20 10 CFCDRN CN(CCOC1CCSCC1)c1ccc(N)cc1 ZINC000903770310 621438058 /nfs/dbraw/zinc/43/80/58/621438058.db2.gz FVJHPFCNNXSTLK-UHFFFAOYSA-N 0 0 266.410 2.617 20 10 CFCDRN Nc1ccc(Cc2noc(C[C@H]3CC[C@H](C4CC4)O3)n2)cc1 ZINC000904503002 621602787 /nfs/dbraw/zinc/60/27/87/621602787.db2.gz CXLVBIPRHLQXFN-HUUCEWRRSA-N 0 0 299.374 2.743 20 10 CFCDRN CCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000043001548 621679762 /nfs/dbraw/zinc/67/97/62/621679762.db2.gz VFGLMTKPCDXYRI-LLVKDONJSA-N 0 0 250.342 2.722 20 10 CFCDRN CC(C)c1noc(NCc2cc(F)cc(F)c2O)n1 ZINC000905411293 621761801 /nfs/dbraw/zinc/76/18/01/621761801.db2.gz GTYBRULNRNZSLL-UHFFFAOYSA-N 0 0 269.251 2.789 20 10 CFCDRN Cc1ccc(O)c(CNc2cccc(NC(N)=O)c2)c1 ZINC000071407865 625515436 /nfs/dbraw/zinc/51/54/36/625515436.db2.gz PPGMDESFSNPBFZ-UHFFFAOYSA-N 0 0 271.320 2.803 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(-n3ccnc3)nc2)c1 ZINC000071407609 625515491 /nfs/dbraw/zinc/51/54/91/625515491.db2.gz YFRLBWXSTLFSLY-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000905695269 621829068 /nfs/dbraw/zinc/82/90/68/621829068.db2.gz MUSLUWOUSYUDGX-AWEZNQCLSA-N 0 0 299.370 2.740 20 10 CFCDRN CC(C)n1ccnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000832837586 625532323 /nfs/dbraw/zinc/53/23/23/625532323.db2.gz DATRDHMKLRZOJQ-UHFFFAOYSA-N 0 0 292.360 2.850 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC=CCCC1 ZINC000907060897 622081742 /nfs/dbraw/zinc/08/17/42/622081742.db2.gz QVPXQCHBWTXZHR-ZDUSSCGKSA-N 0 0 275.348 2.851 20 10 CFCDRN CCC/C=C\[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000907492332 622131832 /nfs/dbraw/zinc/13/18/32/622131832.db2.gz IVMMEOHASPNPKK-PFOXVCDASA-N 0 0 290.407 2.647 20 10 CFCDRN COc1ccc(CNC(=O)/C(F)=C(/C)C2CC2)c(O)c1 ZINC000907927057 622174541 /nfs/dbraw/zinc/17/45/41/622174541.db2.gz SIQPOBHRHWLROH-NTEUORMPSA-N 0 0 279.311 2.671 20 10 CFCDRN Nc1ccc(NC(=O)NCCCC(F)(F)F)cc1 ZINC000149611240 622233930 /nfs/dbraw/zinc/23/39/30/622233930.db2.gz RIXYJJDNEAGXMB-UHFFFAOYSA-N 0 0 261.247 2.733 20 10 CFCDRN Cc1nnsc1[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000909004577 622297657 /nfs/dbraw/zinc/29/76/57/622297657.db2.gz XHRZLDADIKVWOC-ZCFIWIBFSA-N 0 0 270.335 2.532 20 10 CFCDRN O=C(NCC[C@@H]1CCc2ccccc21)c1cccc(O)c1O ZINC000833398322 625565169 /nfs/dbraw/zinc/56/51/69/625565169.db2.gz DTBKCPUSVBWNEF-ZDUSSCGKSA-N 0 0 297.354 2.948 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910949038 622488661 /nfs/dbraw/zinc/48/86/61/622488661.db2.gz DIVUQHHJIFBVJF-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN CCC(C)(C)CC(=O)NCc1ccc(O)cc1O ZINC000910950983 622489302 /nfs/dbraw/zinc/48/93/02/622489302.db2.gz MLMVBPRKBDKLDN-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000910951230 622489423 /nfs/dbraw/zinc/48/94/23/622489423.db2.gz PMJFIPQVTYYDFZ-LSDHHAIUSA-N 0 0 289.375 2.930 20 10 CFCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910957064 622489743 /nfs/dbraw/zinc/48/97/43/622489743.db2.gz OPUDRNCZNNUFQH-LRDDRELGSA-N 0 0 277.364 2.930 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944056 622491235 /nfs/dbraw/zinc/49/12/35/622491235.db2.gz JXJNPBMYOFHURL-ZWNOBZJWSA-N 0 0 263.337 2.540 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910943407 622491333 /nfs/dbraw/zinc/49/13/33/622491333.db2.gz BSPRFOPFVWDNSJ-WCQYABFASA-N 0 0 277.364 2.786 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910946393 622491698 /nfs/dbraw/zinc/49/16/98/622491698.db2.gz NVELQUIYBVHYMA-FZMZJTMJSA-N 0 0 277.364 2.930 20 10 CFCDRN N#Cc1ccc(NNC(=S)Nc2ccccc2)cc1 ZINC000044081610 622501015 /nfs/dbraw/zinc/50/10/15/622501015.db2.gz JXZSNDKMWWJGBV-UHFFFAOYSA-N 0 0 268.345 2.872 20 10 CFCDRN CCOc1cccc(CN(CC)CC(F)F)c1O ZINC000184089876 625572559 /nfs/dbraw/zinc/57/25/59/625572559.db2.gz CMDLAYAOXLJTIB-UHFFFAOYSA-N 0 0 259.296 2.878 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NN1CCCC1 ZINC000819657329 622542684 /nfs/dbraw/zinc/54/26/84/622542684.db2.gz BWWBVHHBHCRVRS-UHFFFAOYSA-N 0 0 289.404 2.896 20 10 CFCDRN 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C[C@@H]1CC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181189073 625075897 /nfs/dbraw/zinc/07/58/97/625075897.db2.gz KCFDYUDSDRYSKP-WATUZJJNSA-N 0 0 261.321 2.510 20 10 CFCDRN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C2=CC(=O)CS2)C1 ZINC000832189393 625239601 /nfs/dbraw/zinc/23/96/01/625239601.db2.gz IAMCARWUFCTUOZ-MEBBXXQBSA-N 0 0 297.420 2.761 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182226540 625273482 /nfs/dbraw/zinc/27/34/82/625273482.db2.gz IZRQLLQCASMABV-WPRPVWTQSA-N 0 0 251.326 2.571 20 10 CFCDRN CCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1 ZINC000185387417 625721461 /nfs/dbraw/zinc/72/14/61/625721461.db2.gz GZWBWHAMEFNQBA-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000185387223 625721478 /nfs/dbraw/zinc/72/14/78/625721478.db2.gz UNVBBFYDWXZDAR-LBPRGKRZSA-N 0 0 285.343 2.767 20 10 CFCDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cccc(O)c1O ZINC000185847230 625790709 /nfs/dbraw/zinc/79/07/09/625790709.db2.gz NDBKWJDGTCGKNV-JTQLQIEISA-N 0 0 287.315 2.637 20 10 CFCDRN CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834883976 625908845 /nfs/dbraw/zinc/90/88/45/625908845.db2.gz SYGVQDIXRSZFGP-MXWKQRLJSA-N 0 0 264.325 2.997 20 10 CFCDRN CCc1nc(CN[C@H](C)c2cc(F)ccc2O)co1 ZINC000834899021 625914464 /nfs/dbraw/zinc/91/44/64/625914464.db2.gz NWKZYHIRARYFOP-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000834915265 625921502 /nfs/dbraw/zinc/92/15/02/625921502.db2.gz PMSFMAIBVNDXMK-KKZNHRDASA-N 0 0 271.307 2.889 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1ccsc1 ZINC000770668053 625947341 /nfs/dbraw/zinc/94/73/41/625947341.db2.gz IUENHPCBKAIAIS-GFCCVEGCSA-N 0 0 283.780 2.930 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000770664965 625947527 /nfs/dbraw/zinc/94/75/27/625947527.db2.gz AETBEZZGOZUWJT-VUDBWIFFSA-N 0 0 273.735 2.601 20 10 CFCDRN C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(Br)ccc1O ZINC000817960759 625964815 /nfs/dbraw/zinc/96/48/15/625964815.db2.gz RDDCOCCCHGPLLB-PRHODGIISA-N 0 0 299.212 2.543 20 10 CFCDRN Cc1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1C ZINC000851642616 634470573 /nfs/dbraw/zinc/47/05/73/634470573.db2.gz AHIMAJYJYRVMHL-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN COC[C@H](COC(=O)C1=CC(=O)CS1)C(C)C ZINC000922440490 626288996 /nfs/dbraw/zinc/28/89/96/626288996.db2.gz RMCQYTCOXZAMIA-SECBINFHSA-N 0 0 258.339 2.529 20 10 CFCDRN CCC(CC)(CNC(=O)NCc1c(O)cccc1F)OC ZINC000922594450 626321072 /nfs/dbraw/zinc/32/10/72/626321072.db2.gz IIBIJIJQPRALIN-UHFFFAOYSA-N 0 0 298.358 2.536 20 10 CFCDRN Cc1cc(O)c(CNc2nncn2C2CC2)c(Cl)c1 ZINC000922658490 626335822 /nfs/dbraw/zinc/33/58/22/626335822.db2.gz DFWAAUFRTHQYIO-UHFFFAOYSA-N 0 0 278.743 2.893 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)c(OC)c2)sn1 ZINC000851735371 634498713 /nfs/dbraw/zinc/49/87/13/634498713.db2.gz UYAKVXLMNFBAPW-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@@H]2CC=CCC2)c1O ZINC000073885262 626398682 /nfs/dbraw/zinc/39/86/82/626398682.db2.gz SJSJYZVBXJWFTD-GFCCVEGCSA-N 0 0 290.363 2.556 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H]2C=CCCC2)c1 ZINC000186884281 626401973 /nfs/dbraw/zinc/40/19/73/626401973.db2.gz DBRQBYLXXTZBLC-LBPRGKRZSA-N 0 0 275.348 2.763 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1C1CCC1 ZINC000922954415 626432438 /nfs/dbraw/zinc/43/24/38/626432438.db2.gz SZVSDUHLTPSDMZ-RYUDHWBXSA-N 0 0 292.354 2.767 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(O)c1O ZINC000187078670 626449238 /nfs/dbraw/zinc/44/92/38/626449238.db2.gz SOYTZQZBYMDMAD-OLZOCXBDSA-N 0 0 287.290 2.523 20 10 CFCDRN Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923250742 626459738 /nfs/dbraw/zinc/45/97/38/626459738.db2.gz TWXSXLRCNSSQLV-WFASDCNBSA-N 0 0 290.407 2.604 20 10 CFCDRN CC(C)(C)Cc1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000187130581 626460774 /nfs/dbraw/zinc/46/07/74/626460774.db2.gz DHLGWADIBDSBBU-UHFFFAOYSA-N 0 0 289.335 2.662 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCCC12CC2 ZINC000923494671 626476956 /nfs/dbraw/zinc/47/69/56/626476956.db2.gz ZNSUTCLKDWKEEZ-NSHDSACASA-N 0 0 292.354 2.911 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]2C2CC2)cc1F ZINC000838028631 626483717 /nfs/dbraw/zinc/48/37/17/626483717.db2.gz BDPAVYNKLVXWNV-CQSZACIVSA-N 0 0 291.370 2.586 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2C[C@]2(C)C(C)C)c(O)c1 ZINC000838766698 626505069 /nfs/dbraw/zinc/50/50/69/626505069.db2.gz UYOPPVKWHFPQKP-GOEBONIOSA-N 0 0 292.379 2.635 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839147519 626526170 /nfs/dbraw/zinc/52/61/70/626526170.db2.gz LKPYJNZAGXFMRA-DTORHVGOSA-N 0 0 273.735 2.842 20 10 CFCDRN COC1CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000839127224 626527463 /nfs/dbraw/zinc/52/74/63/626527463.db2.gz AZRSYDSCIMDKFY-UHFFFAOYSA-N 0 0 269.344 2.890 20 10 CFCDRN COCC1(C)C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839142937 626528718 /nfs/dbraw/zinc/52/87/18/626528718.db2.gz HYHOGCBMDDCQTC-UHFFFAOYSA-N 0 0 273.735 2.653 20 10 CFCDRN CCCN(Cc1ccccc1O)[C@H](C)c1nnc(C)[nH]1 ZINC000839498371 626538200 /nfs/dbraw/zinc/53/82/00/626538200.db2.gz IWZINLSFRPXOLA-LLVKDONJSA-N 0 0 274.368 2.792 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1c([O-])cccc1F ZINC000886556703 626539791 /nfs/dbraw/zinc/53/97/91/626539791.db2.gz INZJDEQBITYQDK-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886556702 626539828 /nfs/dbraw/zinc/53/98/28/626539828.db2.gz INZJDEQBITYQDK-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)O1 ZINC000756941984 626542551 /nfs/dbraw/zinc/54/25/51/626542551.db2.gz UDBDUKMESSSAFV-CVEARBPZSA-N 0 0 290.407 2.635 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000839541433 626546564 /nfs/dbraw/zinc/54/65/64/626546564.db2.gz DVERPFGKPCAXCL-JKSUJKDBSA-N 0 0 297.354 2.860 20 10 CFCDRN CCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103506738 626547453 /nfs/dbraw/zinc/54/74/53/626547453.db2.gz MJQKUNMVUYVUSU-JTQLQIEISA-N 0 0 266.341 2.561 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)O1 ZINC000757384916 626550136 /nfs/dbraw/zinc/55/01/36/626550136.db2.gz WCVZIRDBXBAHPP-UEKVPHQBSA-N 0 0 293.363 2.536 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000757824562 626564209 /nfs/dbraw/zinc/56/42/09/626564209.db2.gz KALSEAICRJPZNK-ZDUSSCGKSA-N 0 0 299.436 2.592 20 10 CFCDRN Cc1cc(F)c(C(=O)NCc2ccccc2O)cc1F ZINC000758279123 626586691 /nfs/dbraw/zinc/58/66/91/626586691.db2.gz KSDJWKWVWVAVHL-UHFFFAOYSA-N 0 0 277.270 2.909 20 10 CFCDRN COCc1cccc(COC(=O)c2cccc(O)c2O)c1 ZINC000758548784 626597913 /nfs/dbraw/zinc/59/79/13/626597913.db2.gz VGQISHAYDIEIJY-UHFFFAOYSA-N 0 0 288.299 2.601 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cnco2)cc1F ZINC000759042889 626625804 /nfs/dbraw/zinc/62/58/04/626625804.db2.gz BXBSYYYHKOKBSX-UHFFFAOYSA-N 0 0 291.326 2.590 20 10 CFCDRN Cc1cccc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000759581289 626673275 /nfs/dbraw/zinc/67/32/75/626673275.db2.gz VAAFMTGUCFEPHY-SOFGYWHQSA-N 0 0 285.299 2.558 20 10 CFCDRN Cc1cnc(COC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000759588273 626673831 /nfs/dbraw/zinc/67/38/31/626673831.db2.gz KDPFIBDDOCRORX-HYXAFXHYSA-N 0 0 291.328 2.619 20 10 CFCDRN CC(C)(C)OCCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759595383 626674360 /nfs/dbraw/zinc/67/43/60/626674360.db2.gz QYHPUOBHNYNGSZ-VURMDHGXSA-N 0 0 294.347 2.859 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccsc2C1 ZINC000761045804 626793653 /nfs/dbraw/zinc/79/36/53/626793653.db2.gz RFUCKFFGXGYJMI-UHFFFAOYSA-N 0 0 265.359 2.714 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC000761194332 626814625 /nfs/dbraw/zinc/81/46/25/626814625.db2.gz YUEWJABBOYPTCQ-LLVKDONJSA-N 0 0 299.798 2.649 20 10 CFCDRN CCO[C@H](CC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000761231885 626818173 /nfs/dbraw/zinc/81/81/73/626818173.db2.gz PBLSJZMTZIVGCH-OAHLLOKOSA-N 0 0 279.380 2.802 20 10 CFCDRN COc1c(F)cc(F)cc1NC(=O)C1=CC(=O)CS1 ZINC000761610237 626849646 /nfs/dbraw/zinc/84/96/46/626849646.db2.gz XDYNXLDXBWOPEP-UHFFFAOYSA-N 0 0 285.271 2.993 20 10 CFCDRN C[C@@H]1COCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000762485797 626919484 /nfs/dbraw/zinc/91/94/84/626919484.db2.gz KRVHRHBSZJEQJU-LDYMZIIASA-N 0 0 273.735 2.699 20 10 CFCDRN COc1cccc(CNC(=O)/C=C2\CC[C@H](C)C2)c1O ZINC000762804845 626939553 /nfs/dbraw/zinc/93/95/53/626939553.db2.gz ZFDFPWXSLXZWRQ-UTEVDWOZSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000851809711 634542131 /nfs/dbraw/zinc/54/21/31/634542131.db2.gz XYLKSYBXPOPUPU-ABAIWWIYSA-N 0 0 299.798 2.836 20 10 CFCDRN COc1ccc(N(C)C[C@@H](OC)[C@@H]2CCOC2)cc1Cl ZINC000851809712 634542552 /nfs/dbraw/zinc/54/25/52/634542552.db2.gz XYLKSYBXPOPUPU-IAQYHMDHSA-N 0 0 299.798 2.836 20 10 CFCDRN CCO[C@@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)C12CCC2 ZINC000764341310 627052531 /nfs/dbraw/zinc/05/25/31/627052531.db2.gz GBVREECAQRTQHN-QWHCGFSZSA-N 0 0 295.404 2.873 20 10 CFCDRN COCc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)o1 ZINC000764412968 627058710 /nfs/dbraw/zinc/05/87/10/627058710.db2.gz HXIYOXJKKHFAKG-WDZFZDKYSA-N 0 0 295.385 2.790 20 10 CFCDRN CC(=O)Nc1nnc(Sc2ncc(Cl)s2)s1 ZINC000765037292 627114759 /nfs/dbraw/zinc/11/47/59/627114759.db2.gz XVMBQZLWXDZFTJ-UHFFFAOYSA-N 0 0 292.798 2.758 20 10 CFCDRN COC(=O)CCCSc1ncc(Cl)s1 ZINC000765044785 627115024 /nfs/dbraw/zinc/11/50/24/627115024.db2.gz YOJSGDKUKAPHFN-UHFFFAOYSA-N 0 0 251.760 2.842 20 10 CFCDRN CCN(C[C@H](OC)[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000851828502 634550046 /nfs/dbraw/zinc/55/00/46/634550046.db2.gz QVQLSPUBGXVPCJ-BBRMVZONSA-N 0 0 279.380 2.573 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](COC)OC)cc1 ZINC000851829273 634550143 /nfs/dbraw/zinc/55/01/43/634550143.db2.gz GURBCZMJPYNBTK-HNNXBMFYSA-N 0 0 267.369 2.573 20 10 CFCDRN CCN(CCO[C@H]1CC1(F)F)c1ccc(OC)cc1 ZINC000851827105 634550287 /nfs/dbraw/zinc/55/02/87/634550287.db2.gz AYTLWCFWXHTPAF-ZDUSSCGKSA-N 0 0 271.307 2.946 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000765416980 627136128 /nfs/dbraw/zinc/13/61/28/627136128.db2.gz DWTYLRBNOYQUCF-SKDRFNHKSA-N 0 0 283.393 2.777 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(F)cc1[O-] ZINC000765806002 627159092 /nfs/dbraw/zinc/15/90/92/627159092.db2.gz BDISHYBEGBQZKL-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN CCc1cc(C)nc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000766100279 627178406 /nfs/dbraw/zinc/17/84/06/627178406.db2.gz MQPJVOJNWYFIJG-SNVBAGLBSA-N 0 0 287.363 2.802 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000766680768 627214478 /nfs/dbraw/zinc/21/44/78/627214478.db2.gz PRAQSTFSYKRJCY-LBPRGKRZSA-N 0 0 287.359 2.879 20 10 CFCDRN Cc1ccn2ncc(C(=O)N(C)Cc3ccccc3O)c2c1 ZINC000766840255 627222262 /nfs/dbraw/zinc/22/22/62/627222262.db2.gz OHIYMDNOEMTSIE-UHFFFAOYSA-N 0 0 295.342 2.621 20 10 CFCDRN Cc1nc(CCOC(=O)C2=CC(=O)CS2)cs1 ZINC000767626885 627265999 /nfs/dbraw/zinc/26/59/99/627265999.db2.gz GIADRQVNQYKLKY-UHFFFAOYSA-N 0 0 269.347 2.618 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000768102106 627314336 /nfs/dbraw/zinc/31/43/36/627314336.db2.gz OCHSKKWNIMXLPR-MRVPVSSYSA-N 0 0 279.321 2.608 20 10 CFCDRN CCOC(=O)CN(C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000768247323 627328723 /nfs/dbraw/zinc/32/87/23/627328723.db2.gz TXBPVFRZXRNSEZ-UHFFFAOYSA-N 0 0 296.386 2.667 20 10 CFCDRN O=C(Nc1ccc(Br)nc1)C1=CC(=O)CS1 ZINC000768290663 627331046 /nfs/dbraw/zinc/33/10/46/627331046.db2.gz WBQXMJKMRRMQSD-UHFFFAOYSA-N 0 0 299.149 2.864 20 10 CFCDRN CCCN(CCC)c1ccc(CN(C)CC(=O)OC)cc1 ZINC000768401692 627341512 /nfs/dbraw/zinc/34/15/12/627341512.db2.gz WCBOVRKSBGDGPL-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518241 627348316 /nfs/dbraw/zinc/34/83/16/627348316.db2.gz ABVWAFACFLEOKA-VHSXEESVSA-N 0 0 287.762 2.778 20 10 CFCDRN CN(Cc1cncc(F)c1)c1ccc2c(c1)OCO2 ZINC000768519261 627349380 /nfs/dbraw/zinc/34/93/80/627349380.db2.gz QBQXONGUTWDLCY-UHFFFAOYSA-N 0 0 260.268 2.586 20 10 CFCDRN Cc1noc(C(F)F)c1C(=O)NCc1ccccc1O ZINC000769364299 627427861 /nfs/dbraw/zinc/42/78/61/627427861.db2.gz ZYCNPWIIPAZERT-UHFFFAOYSA-N 0 0 282.246 2.556 20 10 CFCDRN CCOc1cccc(CNc2ccc(OC)cn2)c1O ZINC000769406588 627435049 /nfs/dbraw/zinc/43/50/49/627435049.db2.gz SKAZZYIFEHBICX-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCO[C@@H]1CCCCO1 ZINC000769707392 627467703 /nfs/dbraw/zinc/46/77/03/627467703.db2.gz IGMAVWAMFUZVSM-QGZVFWFLSA-N 0 0 291.391 2.991 20 10 CFCDRN CN(C)c1ccc(CNc2cnn(C)c2C2CC2)cc1 ZINC000769922987 627488221 /nfs/dbraw/zinc/48/82/21/627488221.db2.gz HSJZEWKWFDZDLN-UHFFFAOYSA-N 0 0 270.380 2.976 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(F)cc1[O-] ZINC000769989961 627494803 /nfs/dbraw/zinc/49/48/03/627494803.db2.gz SSOSBZPDTXMQSX-NOZJJQNGSA-N 0 0 281.352 2.977 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2nccs2)cc1 ZINC000770244125 627509608 /nfs/dbraw/zinc/50/96/08/627509608.db2.gz FCQCWHYFHJUGCI-UHFFFAOYSA-N 0 0 289.404 2.919 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCCC(F)(F)F)c1 ZINC000770792465 627548622 /nfs/dbraw/zinc/54/86/22/627548622.db2.gz RAMAOZLJKUSMKJ-UHFFFAOYSA-N 0 0 291.269 2.750 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)C2CC2)cc1 ZINC000771033922 627571200 /nfs/dbraw/zinc/57/12/00/627571200.db2.gz QFPWNWZXMGRDLU-QGZVFWFLSA-N 0 0 298.386 2.595 20 10 CFCDRN O=C(NCCC[C@H]1CCCC[C@@H]1O)C1=CC(=O)CS1 ZINC000771062758 627574004 /nfs/dbraw/zinc/57/40/04/627574004.db2.gz KDLLFRKEHVWRQI-PWSUYJOCSA-N 0 0 283.393 2.515 20 10 CFCDRN CC(C)Oc1cncc(NCc2ccccc2O)n1 ZINC000772019498 627663325 /nfs/dbraw/zinc/66/33/25/627663325.db2.gz GMAUVRPDZGDCRJ-UHFFFAOYSA-N 0 0 259.309 2.582 20 10 CFCDRN C[C@H](NC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000773008823 627767912 /nfs/dbraw/zinc/76/79/12/627767912.db2.gz NXYKSVLBPMJVPU-NSHDSACASA-N 0 0 258.321 2.837 20 10 CFCDRN CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773016197 627769021 /nfs/dbraw/zinc/76/90/21/627769021.db2.gz RVDPBMRNOZFXQH-QWRGUYRKSA-N 0 0 266.410 2.681 20 10 CFCDRN CCc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773019435 627769562 /nfs/dbraw/zinc/76/95/62/627769562.db2.gz XNUZTUNGEJLQQQ-NSHDSACASA-N 0 0 286.379 2.529 20 10 CFCDRN C[C@@H](NC(=O)c1ccn(C)c1)c1ccc(N(C)C)cc1 ZINC000773018036 627769794 /nfs/dbraw/zinc/76/97/94/627769794.db2.gz GNAVDSPSGCVKBN-GFCCVEGCSA-N 0 0 271.364 2.582 20 10 CFCDRN C[C@H](NC(=O)C1(C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000773022546 627770495 /nfs/dbraw/zinc/77/04/95/627770495.db2.gz VRHZIVWEQYALAE-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN CCc1ocnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773028144 627771135 /nfs/dbraw/zinc/77/11/35/627771135.db2.gz YFMAIXBMWXIYNQ-LLVKDONJSA-N 0 0 287.363 2.794 20 10 CFCDRN C[C@@H](NC(=O)NC1CC=CC1)c1ccc(N(C)C)cc1 ZINC000773390928 627812880 /nfs/dbraw/zinc/81/28/80/627812880.db2.gz CGRFJYHDGHIBBY-GFCCVEGCSA-N 0 0 273.380 2.831 20 10 CFCDRN CC(C)OCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773450801 627820236 /nfs/dbraw/zinc/82/02/36/627820236.db2.gz SSTYAHASTYNFBQ-CYBMUJFWSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@H](NC(=O)N1CC=CCC1)c1ccc(N(C)C)cc1 ZINC000773615735 627841892 /nfs/dbraw/zinc/84/18/92/627841892.db2.gz XUPXRTVPSGJCNK-ZDUSSCGKSA-N 0 0 273.380 2.785 20 10 CFCDRN CCc1cnccc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000773755097 627854994 /nfs/dbraw/zinc/85/49/94/627854994.db2.gz CXPNZGOZGKHJFJ-GFCCVEGCSA-N 0 0 299.374 2.910 20 10 CFCDRN CCCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000773762243 627856184 /nfs/dbraw/zinc/85/61/84/627856184.db2.gz LWFGJLQWOWPYRW-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN CCN(C)c1ccc(CN[C@@H](C(=O)OC)C(C)(C)C)cc1 ZINC000773778129 627858212 /nfs/dbraw/zinc/85/82/12/627858212.db2.gz UUENSKYGKDWDJL-HNNXBMFYSA-N 0 0 292.423 2.820 20 10 CFCDRN C[C@H](NC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000774019166 627879555 /nfs/dbraw/zinc/87/95/55/627879555.db2.gz WTEHANHCEFFRMT-NSHDSACASA-N 0 0 263.385 2.911 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000851987451 634617590 /nfs/dbraw/zinc/61/75/90/634617590.db2.gz NUNJEOBCQQNFAU-HZPDHXFCSA-N 0 0 299.418 2.838 20 10 CFCDRN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774233732 627906976 /nfs/dbraw/zinc/90/69/76/627906976.db2.gz RLZVPQIAQFCDGY-BQBZGAKWSA-N 0 0 291.178 2.614 20 10 CFCDRN CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774820470 627967175 /nfs/dbraw/zinc/96/71/75/627967175.db2.gz AWQRITLVLAWMCX-UHFFFAOYSA-N 0 0 282.340 2.931 20 10 CFCDRN CCO[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000774837135 627969736 /nfs/dbraw/zinc/96/97/36/627969736.db2.gz AYXSWJSSTCYTCF-CYBMUJFWSA-N 0 0 291.372 2.961 20 10 CFCDRN CCC(CC)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774950237 627980852 /nfs/dbraw/zinc/98/08/52/627980852.db2.gz MXUIXSOMCMMZTE-UHFFFAOYSA-N 0 0 282.340 2.835 20 10 CFCDRN COc1c(O)c(CNc2ncccc2C)ccc1[N+](=O)[O-] ZINC000774973543 627982311 /nfs/dbraw/zinc/98/23/11/627982311.db2.gz AVRVFGHBDFIYQK-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1c(O)c(CNc2cccnc2C)ccc1[N+](=O)[O-] ZINC000775031086 627986266 /nfs/dbraw/zinc/98/62/66/627986266.db2.gz AWRHCZPTJAESJQ-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1c(O)c(CNc2ccc(C)nc2)ccc1[N+](=O)[O-] ZINC000775036926 627986524 /nfs/dbraw/zinc/98/65/24/627986524.db2.gz HLRZTBUYSQHJBN-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN C[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000775409302 628022367 /nfs/dbraw/zinc/02/23/67/628022367.db2.gz DOLBAJUQPCMGGQ-QMMMGPOBSA-N 0 0 292.276 2.830 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCC=CO1)c1ccc(N(C)C)cc1 ZINC000775411569 628022590 /nfs/dbraw/zinc/02/25/90/628022590.db2.gz PZAIMKPTJXSEME-DOMZBBRYSA-N 0 0 274.364 2.623 20 10 CFCDRN CCOc1nccnc1NCCCSc1nccs1 ZINC000775483804 628030384 /nfs/dbraw/zinc/03/03/84/628030384.db2.gz BYMBWBKGONOCNS-UHFFFAOYSA-N 0 0 296.421 2.926 20 10 CFCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775674514 628052775 /nfs/dbraw/zinc/05/27/75/628052775.db2.gz GHTSNNSMHWUSRU-GFCCVEGCSA-N 0 0 286.778 2.711 20 10 CFCDRN CCc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775835753 628074150 /nfs/dbraw/zinc/07/41/50/628074150.db2.gz WUGYAMITRVGBTN-LLVKDONJSA-N 0 0 274.368 2.549 20 10 CFCDRN C[C@@H]1[C@H](C)N(Cc2cccc(Cl)c2[O-])CC[N@H+]1C ZINC000775988709 628092303 /nfs/dbraw/zinc/09/23/03/628092303.db2.gz ZAPZJCFJVABJEI-MNOVXSKESA-N 0 0 268.788 2.570 20 10 CFCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC)C1=O ZINC000852019458 634628765 /nfs/dbraw/zinc/62/87/65/634628765.db2.gz ZEVWWVMDSWJWDZ-OAHLLOKOSA-N 0 0 290.407 2.615 20 10 CFCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776220760 628118920 /nfs/dbraw/zinc/11/89/20/628118920.db2.gz ZVVNIIRQUYTEAC-JQWIXIFHSA-N 0 0 271.788 2.932 20 10 CFCDRN O=C(OCCCc1ccccc1)c1cccc(O)c1O ZINC000776282516 628125930 /nfs/dbraw/zinc/12/59/30/628125930.db2.gz SLKNIBLRFPCSKP-UHFFFAOYSA-N 0 0 272.300 2.887 20 10 CFCDRN Cc1ccccc1OCCOC(=O)c1cccc(O)c1O ZINC000776283673 628126043 /nfs/dbraw/zinc/12/60/43/628126043.db2.gz NZKRQNBBEIJIMA-UHFFFAOYSA-N 0 0 288.299 2.642 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000776474255 628152424 /nfs/dbraw/zinc/15/24/24/628152424.db2.gz NSBKYZBPLSQRTN-KGLIPLIRSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2F)cc1 ZINC000008171473 634637328 /nfs/dbraw/zinc/63/73/28/634637328.db2.gz RWXWYLSKWUGDQP-UHFFFAOYSA-N 0 0 286.350 2.751 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000777486543 628229736 /nfs/dbraw/zinc/22/97/36/628229736.db2.gz PUUHXLPIJMNDSY-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN CC(C)C[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000777534040 628233932 /nfs/dbraw/zinc/23/39/32/628233932.db2.gz NTQXBNCKIGJOQJ-JQWIXIFHSA-N 0 0 283.393 2.777 20 10 CFCDRN CCOC(=O)c1cnc(Sc2nccs2)nc1C ZINC000777974726 628269799 /nfs/dbraw/zinc/26/97/99/628269799.db2.gz BLWZOKRMBDKQIN-UHFFFAOYSA-N 0 0 281.362 2.569 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1F ZINC000778073467 628275735 /nfs/dbraw/zinc/27/57/35/628275735.db2.gz OTTHPGMJHOMJFO-SWLSCSKDSA-N 0 0 293.386 2.642 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000778239811 628291603 /nfs/dbraw/zinc/29/16/03/628291603.db2.gz VBVBPDKIMDNWGM-LKFCYVNXSA-N 0 0 283.318 2.914 20 10 CFCDRN O=C1N[C@@H](c2cccc(F)c2O)Nc2cc(F)ccc21 ZINC000778520139 628312467 /nfs/dbraw/zinc/31/24/67/628312467.db2.gz OUDRTMZJJWALCQ-ZDUSSCGKSA-N 0 0 276.242 2.525 20 10 CFCDRN Cc1nccn1CCCCOC(=O)C1=CC(=O)CS1 ZINC000778803346 628332992 /nfs/dbraw/zinc/33/29/92/628332992.db2.gz NXHNDUXBBRPOMY-UHFFFAOYSA-N 0 0 280.349 2.596 20 10 CFCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccccc1O)C2 ZINC000779015308 628345623 /nfs/dbraw/zinc/34/56/23/628345623.db2.gz SBHIBGGWOZFMBO-UHFFFAOYSA-N 0 0 283.327 2.695 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(F)cc(F)c1[O-] ZINC000779086790 628351267 /nfs/dbraw/zinc/35/12/67/628351267.db2.gz BZLBCNAIGCWPGL-IMSIIYSGSA-N 0 0 285.334 2.872 20 10 CFCDRN CCSc1cc(CNC(=O)C2=CC(=O)CS2)ccn1 ZINC000779476379 628384896 /nfs/dbraw/zinc/38/48/96/628384896.db2.gz LIYFTPUBEJQUPP-UHFFFAOYSA-N 0 0 294.401 2.891 20 10 CFCDRN CC(C)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779500875 628385480 /nfs/dbraw/zinc/38/54/80/628385480.db2.gz SJMISWMAEMXZDY-FWPCIQOSSA-N 0 0 275.348 2.758 20 10 CFCDRN CC(C)C(NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000779534127 628387012 /nfs/dbraw/zinc/38/70/12/628387012.db2.gz FBOJQCDHEXZXOD-SOFGYWHQSA-N 0 0 277.364 2.908 20 10 CFCDRN Cc1ccc(CO)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779535839 628387155 /nfs/dbraw/zinc/38/71/55/628387155.db2.gz LHHYMMRDYLFKDB-FNORWQNLSA-N 0 0 299.326 2.550 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2CC(C)(C)C2)cc1 ZINC000780184812 628437442 /nfs/dbraw/zinc/43/74/42/628437442.db2.gz UGSCVAOLXZWEMP-UHFFFAOYSA-N 0 0 289.423 2.988 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)c(O)c1O ZINC000780905720 628503467 /nfs/dbraw/zinc/50/34/67/628503467.db2.gz YLMIDLPEIMFUNP-SNVBAGLBSA-N 0 0 291.372 2.829 20 10 CFCDRN Cc1ccc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)c(O)c1O ZINC000780944107 628506984 /nfs/dbraw/zinc/50/69/84/628506984.db2.gz KXDLJDAIPTZPOV-UWVGGRQHSA-N 0 0 277.364 2.961 20 10 CFCDRN CCc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780944518 628507088 /nfs/dbraw/zinc/50/70/88/628507088.db2.gz BYNDYZRDVVAEBU-UHFFFAOYSA-N 0 0 299.370 2.941 20 10 CFCDRN Cc1ccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c(O)c1O ZINC000780949227 628507578 /nfs/dbraw/zinc/50/75/78/628507578.db2.gz IGOUFWGSTOVKAA-UWVGGRQHSA-N 0 0 277.364 2.961 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C2CC2)ns1 ZINC000782042375 628599206 /nfs/dbraw/zinc/59/92/06/628599206.db2.gz OIMZWNHBPBDSSH-QMMMGPOBSA-N 0 0 291.376 2.870 20 10 CFCDRN CC(C)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000782073117 628602613 /nfs/dbraw/zinc/60/26/13/628602613.db2.gz POUUGSLHBSQVTO-SNVBAGLBSA-N 0 0 253.367 2.962 20 10 CFCDRN COc1cc(NC(=O)NCc2ccccc2O)ccc1F ZINC000782091872 628603716 /nfs/dbraw/zinc/60/37/16/628603716.db2.gz OCVOCZODTUAHNA-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000782633421 628650721 /nfs/dbraw/zinc/65/07/21/628650721.db2.gz HIVGSEKMKJUTNY-JBLDHEPKSA-N 0 0 295.354 2.732 20 10 CFCDRN CC(C)C[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783422661 628706601 /nfs/dbraw/zinc/70/66/01/628706601.db2.gz LNMBMPROBNKTQI-LLVKDONJSA-N 0 0 294.347 2.896 20 10 CFCDRN COc1ccc(O)c(CNc2cccc3c2OCO3)c1 ZINC000783594599 628725087 /nfs/dbraw/zinc/72/50/87/628725087.db2.gz XWNFABPUKFDSDW-UHFFFAOYSA-N 0 0 273.288 2.742 20 10 CFCDRN CCOc1cccc(CN2CCc3ncsc3C2)c1O ZINC000783736893 628739943 /nfs/dbraw/zinc/73/99/43/628739943.db2.gz MRXYIUVCVXQFLP-UHFFFAOYSA-N 0 0 290.388 2.806 20 10 CFCDRN CC[C@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616039 628831240 /nfs/dbraw/zinc/83/12/40/628831240.db2.gz YHNRPAQMRJUFRB-VHSXEESVSA-N 0 0 280.320 2.506 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000784615471 628831547 /nfs/dbraw/zinc/83/15/47/628831547.db2.gz IEEJAPDEYZRBID-LBPRGKRZSA-N 0 0 282.365 2.676 20 10 CFCDRN CC1(C)CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784630333 628832585 /nfs/dbraw/zinc/83/25/85/628832585.db2.gz HVPPJUXXFZZPPW-NSHDSACASA-N 0 0 292.331 2.650 20 10 CFCDRN CC1(C)CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784786739 628842472 /nfs/dbraw/zinc/84/24/72/628842472.db2.gz FJHXMVKYETZACV-LLVKDONJSA-N 0 0 292.331 2.650 20 10 CFCDRN O=C(C[C@@H]1C=CCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784831630 628844348 /nfs/dbraw/zinc/84/43/48/628844348.db2.gz DIKKUDBXYAXHTE-LLVKDONJSA-N 0 0 290.315 2.570 20 10 CFCDRN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000786137733 628939361 /nfs/dbraw/zinc/93/93/61/628939361.db2.gz AVKNDALLYKHYKA-RWMBFGLXSA-N 0 0 293.411 2.536 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000805863109 629059276 /nfs/dbraw/zinc/05/92/76/629059276.db2.gz SUSUBCKRMZUVEP-XHDPSFHLSA-N 0 0 288.391 2.869 20 10 CFCDRN Cc1cc(Br)c(O)c(CNc2cnccn2)c1 ZINC000788449800 629068801 /nfs/dbraw/zinc/06/88/01/629068801.db2.gz SEBGJKMYUKFAKT-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CSC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000788961744 629111174 /nfs/dbraw/zinc/11/11/74/629111174.db2.gz AREGZVJYNPZEHR-LLVKDONJSA-N 0 0 278.421 2.825 20 10 CFCDRN COc1nn(C)cc1N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000788983819 629113763 /nfs/dbraw/zinc/11/37/63/629113763.db2.gz HNFXOAHQNHCXMF-WCBMZHEXSA-N 0 0 291.326 2.934 20 10 CFCDRN CC1(C)CN(C(=O)NCCCSc2nccs2)C1 ZINC000789091292 629125206 /nfs/dbraw/zinc/12/52/06/629125206.db2.gz PSCVVOYCEWRTRK-UHFFFAOYSA-N 0 0 285.438 2.677 20 10 CFCDRN CC1(NC(=S)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000789187871 629132565 /nfs/dbraw/zinc/13/25/65/629132565.db2.gz WNMFMYZGWIPLJU-UHFFFAOYSA-N 0 0 289.448 2.803 20 10 CFCDRN C[C@H](NC(=O)N1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000789212857 629135835 /nfs/dbraw/zinc/13/58/35/629135835.db2.gz LPSWZPZIFFYHRE-LBPRGKRZSA-N 0 0 275.396 2.865 20 10 CFCDRN CC(C)n1ncnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000789285884 629143886 /nfs/dbraw/zinc/14/38/86/629143886.db2.gz ZRIOVDDSNZWTBQ-UHFFFAOYSA-N 0 0 287.411 2.557 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ncnn1C(C)C ZINC000789285087 629143921 /nfs/dbraw/zinc/14/39/21/629143921.db2.gz RMDLSQCGEMIKEP-UHFFFAOYSA-N 0 0 286.379 2.820 20 10 CFCDRN COc1cc(O)c(CN(CC(C)(C)C)OC)cc1OC ZINC000789516938 629163409 /nfs/dbraw/zinc/16/34/09/629163409.db2.gz SEMAATVSNSIVPN-UHFFFAOYSA-N 0 0 283.368 2.819 20 10 CFCDRN C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789557003 629167022 /nfs/dbraw/zinc/16/70/22/629167022.db2.gz DNFIHHIVCSRHGK-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN COC(=O)[C@H](NCc1cc(F)ccc1O)c1cccs1 ZINC000789573384 629167199 /nfs/dbraw/zinc/16/71/99/629167199.db2.gz WPDMJKZLZGUYON-CYBMUJFWSA-N 0 0 295.335 2.597 20 10 CFCDRN COc1nn(C)cc1NCc1cc(Cl)cc(F)c1O ZINC000789587457 629169468 /nfs/dbraw/zinc/16/94/68/629169468.db2.gz YSOGECQOQSSNIF-UHFFFAOYSA-N 0 0 285.706 2.539 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C2(C(=O)[O-])CCC2)cc1 ZINC000789902098 629196159 /nfs/dbraw/zinc/19/61/59/629196159.db2.gz KCZSDNSQUCHEAT-UHFFFAOYSA-N 0 0 276.380 2.630 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000789943022 629199171 /nfs/dbraw/zinc/19/91/71/629199171.db2.gz YFLSPICVOMOGLV-WPRPVWTQSA-N 0 0 267.300 2.545 20 10 CFCDRN Cc1ccc(C(=O)N2CCSC(C)(C)CC2)c(O)c1O ZINC000790141066 629212837 /nfs/dbraw/zinc/21/28/37/629212837.db2.gz CAHSIOZQPNZJMD-UHFFFAOYSA-N 0 0 295.404 2.764 20 10 CFCDRN Cc1cc(C(=O)N2CC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000790233694 629221135 /nfs/dbraw/zinc/22/11/35/629221135.db2.gz BUXQATQGIFDGSA-UHFFFAOYSA-N 0 0 283.375 2.971 20 10 CFCDRN Cn1cccc1CNC(=S)Nc1ccsc1 ZINC000790320306 629231893 /nfs/dbraw/zinc/23/18/93/629231893.db2.gz LEOJAVFMFMRZDH-UHFFFAOYSA-N 0 0 251.380 2.573 20 10 CFCDRN CCC[C@@H](NC(=O)c1cccc(O)c1O)c1ccccn1 ZINC000790647863 629254910 /nfs/dbraw/zinc/25/49/10/629254910.db2.gz CICKCRVJCQEESO-CYBMUJFWSA-N 0 0 286.331 2.764 20 10 CFCDRN Cc1ccc(CC[C@H](C)NC(=O)c2cccc(O)c2O)o1 ZINC000790793900 629262881 /nfs/dbraw/zinc/26/28/81/629262881.db2.gz UCILPIRZBREWMO-JTQLQIEISA-N 0 0 289.331 2.750 20 10 CFCDRN C[C@H](C1CC1)n1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC000790944508 629272856 /nfs/dbraw/zinc/27/28/56/629272856.db2.gz AICBQQBBKKMVGA-SECBINFHSA-N 0 0 287.319 2.518 20 10 CFCDRN O=C1CCN1c1cccc(NCc2cc(F)ccc2O)c1 ZINC000790942995 629272994 /nfs/dbraw/zinc/27/29/94/629272994.db2.gz FXTZKJYJPAHNCH-UHFFFAOYSA-N 0 0 286.306 2.880 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000790961802 629273826 /nfs/dbraw/zinc/27/38/26/629273826.db2.gz NBWRMYRIECDSKI-JQWIXIFHSA-N 0 0 273.735 2.578 20 10 CFCDRN Cc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)[nH]n1 ZINC000790966788 629274691 /nfs/dbraw/zinc/27/46/91/629274691.db2.gz INZDWHYIZFIZOE-UHFFFAOYSA-N 0 0 269.707 2.506 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962169 629274715 /nfs/dbraw/zinc/27/47/15/629274715.db2.gz HLBFGAWFXDWSIY-SECBINFHSA-N 0 0 295.745 2.696 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000790970631 629275209 /nfs/dbraw/zinc/27/52/09/629275209.db2.gz ASKDQPUSAUKFGC-GFCCVEGCSA-N 0 0 299.729 2.909 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOC1CCC1 ZINC000790970171 629275501 /nfs/dbraw/zinc/27/55/01/629275501.db2.gz CDDLZURMACDZLP-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000790974318 629275867 /nfs/dbraw/zinc/27/58/67/629275867.db2.gz SOZHLSHIVBCAOU-DTWKUNHWSA-N 0 0 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/nfs/dbraw/zinc/64/14/59/629641459.db2.gz LWKDAERGHVWTQX-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(F)c(F)c2)c(O)c1 ZINC000794378437 629642124 /nfs/dbraw/zinc/64/21/24/629642124.db2.gz SUPMXSSVRSPNLT-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1ccc(CNC(=O)CCc2ccsc2)c(O)c1 ZINC000794386852 629642959 /nfs/dbraw/zinc/64/29/59/629642959.db2.gz CRRGTBIKWPKIHQ-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC2(C)C)c(O)c1 ZINC000794390156 629642984 /nfs/dbraw/zinc/64/29/84/629642984.db2.gz YZXGRFKKXZHOSO-ZDUSSCGKSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)c(O)c1O ZINC000794744242 629682953 /nfs/dbraw/zinc/68/29/53/629682953.db2.gz HVJAAIWCBPFSNU-UHFFFAOYSA-N 0 0 298.342 2.932 20 10 CFCDRN CCN(C)c1ccc(CN(CCF)CCOC)cc1 ZINC000852480844 634756847 /nfs/dbraw/zinc/75/68/47/634756847.db2.gz DEZRHFVMNLXROL-UHFFFAOYSA-N 0 0 268.376 2.561 20 10 CFCDRN CC[C@H](NCc1ncnn1CC)c1ccc(N(C)C)cc1 ZINC000794842044 629693267 /nfs/dbraw/zinc/69/32/67/629693267.db2.gz PDALNSIHBOYJAU-HNNXBMFYSA-N 0 0 287.411 2.605 20 10 CFCDRN CC[C@](C)(OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000795270479 629755207 /nfs/dbraw/zinc/75/52/07/629755207.db2.gz MGRBACDOLCTFJQ-LRDDRELGSA-N 0 0 278.396 2.745 20 10 CFCDRN COc1ccc(CNc2cc(C)nc(C3CC3)n2)c(O)c1 ZINC000795289583 629757653 /nfs/dbraw/zinc/75/76/53/629757653.db2.gz LGSXFWIXLDQVLJ-UHFFFAOYSA-N 0 0 285.347 2.989 20 10 CFCDRN COc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])c(O)c1 ZINC000795290041 629757787 /nfs/dbraw/zinc/75/77/87/629757787.db2.gz OXNOQOPYFYWZJJ-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)c(O)c1 ZINC000795290845 629757855 /nfs/dbraw/zinc/75/78/55/629757855.db2.gz ZFOCPXSFVSJASB-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1ccc(CNc2nnc(C3CC3)s2)c(O)c1 ZINC000795291801 629758023 /nfs/dbraw/zinc/75/80/23/629758023.db2.gz CIBILGVRNROFLE-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)[C@@H]1Cc2ccccc21 ZINC000795507686 629789639 /nfs/dbraw/zinc/78/96/39/629789639.db2.gz WQVUXKNLGPTRET-GFCCVEGCSA-N 0 0 288.324 2.520 20 10 CFCDRN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(F)cc1[O-] ZINC000796760134 629961884 /nfs/dbraw/zinc/96/18/84/629961884.db2.gz LDEMKWDZWBELBD-DZGCQCFKSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(F)cc1[O-] ZINC000796779589 629965169 /nfs/dbraw/zinc/96/51/69/629965169.db2.gz PNAWQDJFAIXXBF-DGCLKSJQSA-N 0 0 287.400 2.686 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCC(C)(C)F)cc1F ZINC000852552705 634777942 /nfs/dbraw/zinc/77/79/42/634777942.db2.gz CNEIIEQIDDBLSH-UHFFFAOYSA-N 0 0 299.365 2.829 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)COCCOC)c1ccc(F)cc1[O-] ZINC000796828733 629974651 /nfs/dbraw/zinc/97/46/51/629974651.db2.gz UIWVBRKAOYXWQT-RISCZKNCSA-N 0 0 285.359 2.624 20 10 CFCDRN CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000796836013 629976035 /nfs/dbraw/zinc/97/60/35/629976035.db2.gz GSRHRIWQJMLAHW-AWEZNQCLSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000796849686 629979382 /nfs/dbraw/zinc/97/93/82/629979382.db2.gz VOYWEOGIAGYXLV-OCCSQVGLSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]CCC1CC(O)C1)c1ccc(F)cc1[O-] ZINC000796960007 629996417 /nfs/dbraw/zinc/99/64/17/629996417.db2.gz AVVSMUWJRYPEGH-OVGLSYRBSA-N 0 0 267.344 2.733 20 10 CFCDRN CCN(C)c1ccc(CN[C@@](C)(CCF)C(=O)OC)cc1 ZINC000852579168 634784792 /nfs/dbraw/zinc/78/47/92/634784792.db2.gz YBZNVYCEMSVINQ-INIZCTEOSA-N 0 0 296.386 2.524 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000797750567 630099888 /nfs/dbraw/zinc/09/98/88/630099888.db2.gz BQXACZYPQPLJSJ-GXSJLCMTSA-N 0 0 299.317 2.580 20 10 CFCDRN Oc1cc2c(cc1CN1CC(OC(F)F)C1)CCCC2 ZINC000797820645 630107644 /nfs/dbraw/zinc/10/76/44/630107644.db2.gz HLMUSZQDSNHBJA-UHFFFAOYSA-N 0 0 283.318 2.694 20 10 CFCDRN CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000852595949 634789416 /nfs/dbraw/zinc/78/94/16/634789416.db2.gz JVKOPVPSJGWLJA-CQSZACIVSA-N 0 0 293.386 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CC(=O)C(=O)COC(=O)c1sc2ccc(F)cc2c1C ZINC000808508163 631003966 /nfs/dbraw/zinc/00/39/66/631003966.db2.gz UNVCJTRKUVOECR-UHFFFAOYSA-N 0 0 294.303 2.664 20 10 CFCDRN CC(=O)C(=O)COC(=O)CCCc1ccc2ccccc2c1 ZINC000808532966 631009339 /nfs/dbraw/zinc/00/93/39/631009339.db2.gz BJYCXPUZWUJHOX-UHFFFAOYSA-N 0 0 298.338 2.864 20 10 CFCDRN CC(=O)C(=O)COC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000808541561 631011096 /nfs/dbraw/zinc/01/10/96/631011096.db2.gz XOZMNHGSZDILMC-DGCLKSJQSA-N 0 0 288.343 2.677 20 10 CFCDRN CC(=O)C(=O)COC(=O)CC(C)(C)C1CCCCC1 ZINC000808546402 631011812 /nfs/dbraw/zinc/01/18/12/631011812.db2.gz LNKUGNJPUGFVEP-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000808715313 631033102 /nfs/dbraw/zinc/03/31/02/631033102.db2.gz JTAABVRIFJRBBU-NXEZZACHSA-N 0 0 294.786 2.894 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c1O ZINC000808715318 631033428 /nfs/dbraw/zinc/03/34/28/631033428.db2.gz JTAABVRIFJRBBU-ZJUUUORDSA-N 0 0 294.786 2.894 20 10 CFCDRN CC[C@@H](CC(F)F)C(=O)NCc1cc(OC)ccc1O ZINC000837483490 631044927 /nfs/dbraw/zinc/04/49/27/631044927.db2.gz AYWUEAXGGBVFQM-VIFPVBQESA-N 0 0 287.306 2.698 20 10 CFCDRN CCC(C)(C)OCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000837485874 631045594 /nfs/dbraw/zinc/04/55/94/631045594.db2.gz RHYQLZAAUOBTRM-NSHDSACASA-N 0 0 295.379 2.783 20 10 CFCDRN C[C@@]1(COC(=O)c2cccc(O)c2O)CC1(Cl)Cl ZINC000837648543 631096850 /nfs/dbraw/zinc/09/68/50/631096850.db2.gz SQFQBLJEHBTSEF-NSHDSACASA-N 0 0 291.130 2.839 20 10 CFCDRN O=C(OC[C@H]1CCC(F)(F)C1)c1cccc(O)c1O ZINC000837648424 631096919 /nfs/dbraw/zinc/09/69/19/631096919.db2.gz QXIVHWPGIRKMRA-QMMMGPOBSA-N 0 0 272.247 2.690 20 10 CFCDRN C[C@@H]1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837928791 631152551 /nfs/dbraw/zinc/15/25/51/631152551.db2.gz JOAKGZMYPMKDBN-QLJPJBMISA-N 0 0 292.331 2.650 20 10 CFCDRN COC(=O)CCCOc1ccc(N2CCCC2)cc1 ZINC000809377167 631219686 /nfs/dbraw/zinc/21/96/86/631219686.db2.gz CKENLFGTLRJILZ-UHFFFAOYSA-N 0 0 263.337 2.619 20 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Cc1cc(N(C)C)ccc1CNCc1nnc(C(C)C)[nH]1 ZINC000840950374 631278381 /nfs/dbraw/zinc/27/83/81/631278381.db2.gz HOCQYZVLZQAJAG-UHFFFAOYSA-N 0 0 287.411 2.592 20 10 CFCDRN Cc1ncc(CNCc2c(O)cc(C)cc2Cl)o1 ZINC000840952688 631280260 /nfs/dbraw/zinc/28/02/60/631280260.db2.gz GBMVTPPXBUJLGH-UHFFFAOYSA-N 0 0 266.728 2.940 20 10 CFCDRN CN(C)c1ccc(CNc2cccc3c2CN(C)C3=O)cc1 ZINC000840956899 631284132 /nfs/dbraw/zinc/28/41/32/631284132.db2.gz AFGQFGNILVSFHV-UHFFFAOYSA-N 0 0 295.386 2.950 20 10 CFCDRN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1csnn1 ZINC000840970697 631290006 /nfs/dbraw/zinc/29/00/06/631290006.db2.gz VOXQSJNFXFHKKB-QMAVJUDZSA-N 0 0 288.420 2.968 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000840997581 631298055 /nfs/dbraw/zinc/29/80/55/631298055.db2.gz OQLMHPQWXZGVRP-SJDLMVEWSA-N 0 0 288.391 2.562 20 10 CFCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998746 631298226 /nfs/dbraw/zinc/29/82/26/631298226.db2.gz RERRAGOWHBZMCL-VGOKWCNXSA-N 0 0 288.391 2.562 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1oc(C)nc1C ZINC000809957911 631305616 /nfs/dbraw/zinc/30/56/16/631305616.db2.gz CNYYHQLHKAPWPP-UHFFFAOYSA-N 0 0 258.321 2.863 20 10 CFCDRN CC(C)(C)CCCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841029226 631311222 /nfs/dbraw/zinc/31/12/22/631311222.db2.gz MLTDZCSBCDPEAW-UHFFFAOYSA-N 0 0 291.395 2.540 20 10 CFCDRN CCOC(COc1ccc(N(C)C)cc1)OCC ZINC000810000721 631311812 /nfs/dbraw/zinc/31/18/12/631311812.db2.gz LAWMBXNLISVPEL-UHFFFAOYSA-N 0 0 253.342 2.531 20 10 CFCDRN C[C@@H]1CCNC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841057635 631323780 /nfs/dbraw/zinc/32/37/80/631323780.db2.gz BQGBTWFBSSTMAL-PRHODGIISA-N 0 0 289.206 2.787 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000810259339 631352196 /nfs/dbraw/zinc/35/21/96/631352196.db2.gz HFRRDAPIOUURDS-OTYXRUKQSA-N 0 0 285.334 2.872 20 10 CFCDRN COCCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000841294422 631376520 /nfs/dbraw/zinc/37/65/20/631376520.db2.gz BVUQRPVDEXCGNZ-SWLSCSKDSA-N 0 0 291.395 2.938 20 10 CFCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCC1(F)F ZINC000841298388 631377264 /nfs/dbraw/zinc/37/72/64/631377264.db2.gz CCBKHMSUXUMBEM-VIFPVBQESA-N 0 0 269.295 2.778 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000841297234 631377323 /nfs/dbraw/zinc/37/73/23/631377323.db2.gz CTYKJDWWMDZTQF-OAHLLOKOSA-N 0 0 282.347 2.937 20 10 CFCDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841298449 631377716 /nfs/dbraw/zinc/37/77/16/631377716.db2.gz PRMRBSIRGIZMEU-UONOGXRCSA-N 0 0 291.395 2.984 20 10 CFCDRN CO[C@@]1(C)C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841300930 631378907 /nfs/dbraw/zinc/37/89/07/631378907.db2.gz XEOALKCEAQWEBV-BBRMVZONSA-N 0 0 291.395 2.936 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)cc1[O-] ZINC000841748132 631464777 /nfs/dbraw/zinc/46/47/77/631464777.db2.gz HJORYVKLELTMHY-SKDRFNHKSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)cc1[O-] ZINC000841752481 631465369 /nfs/dbraw/zinc/46/53/69/631465369.db2.gz AXUXJEHSOGTPKJ-MWLCHTKSSA-N 0 0 291.782 2.977 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1ccc(Cl)cc1O ZINC000841750716 631465386 /nfs/dbraw/zinc/46/53/86/631465386.db2.gz AMALHWSZRQGGOR-MRVPVSSYSA-N 0 0 281.743 2.961 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(Cl)cc1[O-] ZINC000841751088 631465863 /nfs/dbraw/zinc/46/58/63/631465863.db2.gz FNGOYBGFGDZEBW-VHSXEESVSA-N 0 0 257.761 2.857 20 10 CFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755498 631466514 /nfs/dbraw/zinc/46/65/14/631466514.db2.gz HWDQFNAVBQOWRN-FIXISWKDSA-N 0 0 299.798 2.748 20 10 CFCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754543 631466595 /nfs/dbraw/zinc/46/65/95/631466595.db2.gz KRIZIIKYNKNFGT-IGJMFERPSA-N 0 0 289.828 2.809 20 10 CFCDRN C[C@@H]([NH2+]CC1(C)COC1)c1ccc(Cl)cc1[O-] ZINC000841763262 631469277 /nfs/dbraw/zinc/46/92/77/631469277.db2.gz LVXZZHFDVCOGAW-SECBINFHSA-N 0 0 255.745 2.733 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC(C2CC2)C2CC2)cc1 ZINC000841844017 631479376 /nfs/dbraw/zinc/47/93/76/631479376.db2.gz RKSPQFKCLHRSKS-UHFFFAOYSA-N 0 0 287.407 2.547 20 10 CFCDRN CC1(C)CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841907629 631493277 /nfs/dbraw/zinc/49/32/77/631493277.db2.gz PVDVMEHKHYPIPW-AWEZNQCLSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@@]1(NC(=O)NCCc2ccc(N)cc2)CC=CCC1 ZINC000841955612 631495825 /nfs/dbraw/zinc/49/58/25/631495825.db2.gz HZPNSYJHUZTMHA-MRXNPFEDSA-N 0 0 273.380 2.609 20 10 CFCDRN C[C@@H](C1CC1)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841954401 631495922 /nfs/dbraw/zinc/49/59/22/631495922.db2.gz LOJFEGZEWBMITN-LBPRGKRZSA-N 0 0 287.407 2.784 20 10 CFCDRN CC[C@H]1CC[C@H](C)N1C(=O)NCCc1ccc(N)cc1 ZINC000841958983 631496701 /nfs/dbraw/zinc/49/67/01/631496701.db2.gz JOUYDNXOGNKNEK-WFASDCNBSA-N 0 0 275.396 2.784 20 10 CFCDRN Cc1nn(C)cc1COc1ccc(N2CCCC2)cc1 ZINC000842033692 631508498 /nfs/dbraw/zinc/50/84/98/631508498.db2.gz CFYQGOBAVRZXBS-UHFFFAOYSA-N 0 0 271.364 2.908 20 10 CFCDRN CCn1nc(C)c(COc2ccc(N3CCCC3)cc2)n1 ZINC000842034351 631508519 /nfs/dbraw/zinc/50/85/19/631508519.db2.gz VHLAELZYLVENBY-UHFFFAOYSA-N 0 0 286.379 2.786 20 10 CFCDRN COc1ccc(N(C)CCOCC2CCC2)cc1OC ZINC000842148534 631552887 /nfs/dbraw/zinc/55/28/87/631552887.db2.gz GXQDPZPIEYYFEB-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000811543719 631579003 /nfs/dbraw/zinc/57/90/03/631579003.db2.gz AEMHYOXHBXAEBW-AMIZOPFISA-N 0 0 275.329 2.706 20 10 CFCDRN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)s1 ZINC000811810893 631625483 /nfs/dbraw/zinc/62/54/83/631625483.db2.gz HPBTVNFHTBKCCA-UHFFFAOYSA-N 0 0 280.305 2.722 20 10 CFCDRN Oc1ccc(CCNc2ccc(OC(F)F)cn2)cc1O ZINC000811811482 631626556 /nfs/dbraw/zinc/62/65/56/631626556.db2.gz VSTZGSLQBGZMIA-UHFFFAOYSA-N 0 0 296.273 2.749 20 10 CFCDRN C[C@H](NC(=O)NOC/C=C/Cl)c1ccc(N(C)C)cc1 ZINC000811905804 631639185 /nfs/dbraw/zinc/63/91/85/631639185.db2.gz LHJSDAPEKGGBLA-VKJYCEFSSA-N 0 0 297.786 2.797 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000867301733 631684246 /nfs/dbraw/zinc/68/42/46/631684246.db2.gz DHGWGOIWTDNCND-CYZMBNFOSA-N 0 0 291.391 2.827 20 10 CFCDRN CCOc1ccc(CNc2ccc3c(c2)nnn3C)c(O)c1 ZINC000842740699 631724550 /nfs/dbraw/zinc/72/45/50/631724550.db2.gz JONXZSOJZUQJRS-UHFFFAOYSA-N 0 0 298.346 2.685 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000867303095 631725465 /nfs/dbraw/zinc/72/54/65/631725465.db2.gz YUFYQYYMDYLGBT-ZUCKAHLUSA-N 0 0 289.375 2.725 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000842916702 631781766 /nfs/dbraw/zinc/78/17/66/631781766.db2.gz MSMSQFJAZJCVSX-GVXVVHGQSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842927418 631784382 /nfs/dbraw/zinc/78/43/82/631784382.db2.gz DMOSEYPZHLWIPW-YGOYTEALSA-N 0 0 282.365 2.845 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055857 631819286 /nfs/dbraw/zinc/81/92/86/631819286.db2.gz QWTCRKSAIDIKPH-JTQLQIEISA-N 0 0 284.762 2.511 20 10 CFCDRN C[C@@H](NC(=O)N1CC(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000813142841 631861897 /nfs/dbraw/zinc/86/18/97/631861897.db2.gz QYTZBYOUSHEJMD-GFCCVEGCSA-N 0 0 287.407 2.865 20 10 CFCDRN CC[C@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159446 631870150 /nfs/dbraw/zinc/87/01/50/631870150.db2.gz PMOUQODGGBGSGY-QWHCGFSZSA-N 0 0 273.336 2.873 20 10 CFCDRN C[C@@H]1CC[C@@H](CCc2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159010 631870669 /nfs/dbraw/zinc/87/06/69/631870669.db2.gz KLXMEIBRZNOIOQ-RISCZKNCSA-N 0 0 287.363 2.743 20 10 CFCDRN CCC1(c2nc(Cc3ccc(N)cc3)no2)CCOCC1 ZINC000843160465 631871061 /nfs/dbraw/zinc/87/10/61/631871061.db2.gz YOTSTHQWZXYKKT-UHFFFAOYSA-N 0 0 287.363 2.701 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159958 631871241 /nfs/dbraw/zinc/87/12/41/631871241.db2.gz DHTJSFQCMZQJCB-RBZYPMLTSA-N 0 0 273.336 2.729 20 10 CFCDRN Cc1noc(C)c1[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159998 631871403 /nfs/dbraw/zinc/87/14/03/631871403.db2.gz UIFMNDRHHNJWHU-VIFPVBQESA-N 0 0 298.346 2.999 20 10 CFCDRN CCC(C)(C)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000843304242 631922986 /nfs/dbraw/zinc/92/29/86/631922986.db2.gz XEZIEKKPYQGCBV-AWEZNQCLSA-N 0 0 279.380 2.983 20 10 CFCDRN CCc1cc(C(=O)N(C)Cc2ccccc2O)ccc1O ZINC000813481719 631925145 /nfs/dbraw/zinc/92/51/45/631925145.db2.gz YRYSNCKPPYBGRK-UHFFFAOYSA-N 0 0 285.343 2.932 20 10 CFCDRN CCc1cc(C(=O)NCc2ccccc2O)ccc1O ZINC000813489342 631926287 /nfs/dbraw/zinc/92/62/87/631926287.db2.gz WGQOJZZRPFVSNZ-UHFFFAOYSA-N 0 0 271.316 2.590 20 10 CFCDRN CC[C@@H](C)C[C@@H](NCc1cc(F)ccc1O)C(=O)OC ZINC000843415342 631947619 /nfs/dbraw/zinc/94/76/19/631947619.db2.gz KFNKUXVIBKFHFO-ZWNOBZJWSA-N 0 0 283.343 2.599 20 10 CFCDRN CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1=O ZINC000843416085 631949132 /nfs/dbraw/zinc/94/91/32/631949132.db2.gz OIALDDKWJZZWPB-LBPRGKRZSA-N 0 0 296.798 2.535 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3(C(F)F)CC3)ccc21 ZINC000843539204 631980750 /nfs/dbraw/zinc/98/07/50/631980750.db2.gz QJQSZEJRYSPHNW-UHFFFAOYSA-N 0 0 294.345 2.731 20 10 CFCDRN COCC1(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000843581266 631994879 /nfs/dbraw/zinc/99/48/79/631994879.db2.gz QSSJBWYNPJPZJK-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1(F)CC1 ZINC000843820719 632062503 /nfs/dbraw/zinc/06/25/03/632062503.db2.gz XNIBXGGSAZZQEI-UHFFFAOYSA-N 0 0 251.301 2.633 20 10 CFCDRN O=C(Cc1ccc2c(c1)CCCO2)NCc1ccccc1O ZINC000843830848 632064057 /nfs/dbraw/zinc/06/40/57/632064057.db2.gz ABNGVKIXMMEABP-UHFFFAOYSA-N 0 0 297.354 2.576 20 10 CFCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000814790659 632124177 /nfs/dbraw/zinc/12/41/77/632124177.db2.gz VNAMDFJHEFSIBH-CVEARBPZSA-N 0 0 290.407 2.574 20 10 CFCDRN CCN(C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(OC)cc1 ZINC000844302847 632162592 /nfs/dbraw/zinc/16/25/92/632162592.db2.gz BSFHKVJOFMXGDO-OAHLLOKOSA-N 0 0 290.363 2.505 20 10 CFCDRN COC(=O)c1cccc(CN(C)c2ccc(OC)cc2)n1 ZINC000844352784 632176750 /nfs/dbraw/zinc/17/67/50/632176750.db2.gz HOGLWTDSLBZNMV-UHFFFAOYSA-N 0 0 286.331 2.513 20 10 CFCDRN CCCn1c(C)nnc1CN(C)c1ccc(OC)cc1 ZINC000844352951 632177777 /nfs/dbraw/zinc/17/77/77/632177777.db2.gz KXDTXHJBVABMLI-UHFFFAOYSA-N 0 0 274.368 2.642 20 10 CFCDRN COc1ccc(N(C)CC(=O)N(C(C)C)C(C)C)cc1 ZINC000844353049 632178120 /nfs/dbraw/zinc/17/81/20/632178120.db2.gz DWHMVRGDSPQFKH-UHFFFAOYSA-N 0 0 278.396 2.777 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2C(F)F)cc1 ZINC000844353626 632178182 /nfs/dbraw/zinc/17/81/82/632178182.db2.gz SIPGETQBLMRYSD-UHFFFAOYSA-N 0 0 267.279 2.923 20 10 CFCDRN COC1(CCN2CCOc3cc(N(C)C)ccc32)CCC1 ZINC000815078481 632197192 /nfs/dbraw/zinc/19/71/92/632197192.db2.gz CFYYYHAOQWZCLF-UHFFFAOYSA-N 0 0 290.407 2.911 20 10 CFCDRN Cc1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1N(C)C ZINC000815094940 632200532 /nfs/dbraw/zinc/20/05/32/632200532.db2.gz PVHHQZSJSQRWEI-OAHLLOKOSA-N 0 0 290.432 2.946 20 10 CFCDRN CCN(C)c1ccc(CN2CCOC[C@H]2CC(F)F)cc1 ZINC000815118278 632205960 /nfs/dbraw/zinc/20/59/60/632205960.db2.gz ZCQIZRUYQXTLKE-OAHLLOKOSA-N 0 0 298.377 2.999 20 10 CFCDRN CC[C@H](C)NC(=S)NCc1cc(Cl)ccc1O ZINC000844583589 632254755 /nfs/dbraw/zinc/25/47/55/632254755.db2.gz DAXJJLAIHUWXDV-QMMMGPOBSA-N 0 0 272.801 2.808 20 10 CFCDRN COCc1ccnc(NCc2ccc(N(C)C)cc2)c1 ZINC000844707155 632287285 /nfs/dbraw/zinc/28/72/85/632287285.db2.gz JMALZGFAMAOGQS-UHFFFAOYSA-N 0 0 271.364 2.906 20 10 CFCDRN COc1cc(O)c(CN2CCCC(F)(F)C2)cc1OC ZINC000844714008 632288281 /nfs/dbraw/zinc/28/82/81/632288281.db2.gz MUAYDYJLJMQFQP-UHFFFAOYSA-N 0 0 287.306 2.641 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598267 632295655 /nfs/dbraw/zinc/29/56/55/632295655.db2.gz QGKXUMOWEMLALP-IUCAKERBSA-N 0 0 275.270 2.851 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000815650967 632305004 /nfs/dbraw/zinc/30/50/04/632305004.db2.gz GLICPRFKSWPIEG-AMIZOPFISA-N 0 0 271.307 2.746 20 10 CFCDRN CCc1ncnc(CC)c1C(=O)N(C)Cc1ccccc1O ZINC000815796744 632321028 /nfs/dbraw/zinc/32/10/28/632321028.db2.gz JTJJCZDSZCRNNM-UHFFFAOYSA-N 0 0 299.374 2.579 20 10 CFCDRN CC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)cs1 ZINC000815796823 632321312 /nfs/dbraw/zinc/32/13/12/632321312.db2.gz NVLDNRQQIAMMQZ-UHFFFAOYSA-N 0 0 289.356 2.929 20 10 CFCDRN CC(C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844844354 632321514 /nfs/dbraw/zinc/32/15/14/632321514.db2.gz DNHRARUKRHSTCB-UHFFFAOYSA-N 0 0 270.760 2.891 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC2CCC1CC2 ZINC000815835953 632325518 /nfs/dbraw/zinc/32/55/18/632325518.db2.gz KMNZIBXFDOZECC-KGPNIALWSA-N 0 0 275.348 2.540 20 10 CFCDRN COc1cccc(CNC(=O)c2cccc(F)c2F)c1O ZINC000105650534 632326175 /nfs/dbraw/zinc/32/61/75/632326175.db2.gz TUEFKDHSEHOLSY-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000844901979 632331408 /nfs/dbraw/zinc/33/14/08/632331408.db2.gz LFBDKEXECBLBKO-NHYWBVRUSA-N 0 0 298.789 2.746 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845168764 632379088 /nfs/dbraw/zinc/37/90/88/632379088.db2.gz HGXMFHOJPUUDJA-LDYMZIIASA-N 0 0 268.744 2.643 20 10 CFCDRN C[C@H]1COCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514138 632475654 /nfs/dbraw/zinc/47/56/54/632475654.db2.gz NHIJWVGUGKEBGA-SECBINFHSA-N 0 0 273.735 2.653 20 10 CFCDRN CNC(=O)CCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816515568 632476495 /nfs/dbraw/zinc/47/64/95/632476495.db2.gz DGFJGJWDZXHZPR-UHFFFAOYSA-N 0 0 286.375 2.503 20 10 CFCDRN NC(=O)C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516561 632476669 /nfs/dbraw/zinc/47/66/69/632476669.db2.gz JPIRQUDHXKCREB-CYBMUJFWSA-N 0 0 298.386 2.633 20 10 CFCDRN COCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544961 632480524 /nfs/dbraw/zinc/48/05/24/632480524.db2.gz YMQBEFBUYWBDMZ-MRVPVSSYSA-N 0 0 261.724 2.699 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccncc1 ZINC000816556321 632484527 /nfs/dbraw/zinc/48/45/27/632484527.db2.gz GCQSQYNIFXTJRF-UHFFFAOYSA-N 0 0 280.730 2.912 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610522 632494845 /nfs/dbraw/zinc/49/48/45/632494845.db2.gz NRYZXNLYUSABBJ-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000816646989 632502641 /nfs/dbraw/zinc/50/26/41/632502641.db2.gz LZLNUDMNPGCOBT-HTQZYQBOSA-N 0 0 270.716 2.794 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(CCO)CC2)cc1 ZINC000816745736 632518763 /nfs/dbraw/zinc/51/87/63/632518763.db2.gz DDULAUMSZFYGLW-UHFFFAOYSA-N 0 0 298.386 2.739 20 10 CFCDRN COCc1nnc(NCc2cc(Cl)ccc2O)s1 ZINC000845706837 632529834 /nfs/dbraw/zinc/52/98/34/632529834.db2.gz DFGOGRSWNKIACF-UHFFFAOYSA-N 0 0 285.756 2.656 20 10 CFCDRN Cc1cc(N(C)C)ccc1[C@@H]1NC(=O)c2ccccc2N1C ZINC000840782847 632545237 /nfs/dbraw/zinc/54/52/37/632545237.db2.gz AXLBCQRRGQLDCN-QGZVFWFLSA-N 0 0 295.386 2.939 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)c1O ZINC000845833997 632577401 /nfs/dbraw/zinc/57/74/01/632577401.db2.gz PICDPKOFTVWYAS-KGLIPLIRSA-N 0 0 289.375 2.843 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845833102 632577866 /nfs/dbraw/zinc/57/78/66/632577866.db2.gz HWIDVBOYEVETCN-UONOGXRCSA-N 0 0 259.349 2.835 20 10 CFCDRN CCCN(C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845988046 632609360 /nfs/dbraw/zinc/60/93/60/632609360.db2.gz RSRXEZMXOPACTH-UHFFFAOYSA-N 0 0 293.411 2.525 20 10 CFCDRN Cc1nocc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000817345573 632610570 /nfs/dbraw/zinc/61/05/70/632610570.db2.gz KDHVIMSXYSSBJP-ZSOIEALJSA-N 0 0 266.300 2.816 20 10 CFCDRN CC(C)(C)OC(=O)CN(Cc1ccccc1O)CC1CC1 ZINC000846051967 632624075 /nfs/dbraw/zinc/62/40/75/632624075.db2.gz AGGGZDUOIUMZIT-UHFFFAOYSA-N 0 0 291.391 2.946 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CC[C@H](C)CC2)c(O)c1 ZINC000846060923 632626722 /nfs/dbraw/zinc/62/67/22/632626722.db2.gz JSZPACVTSIMZEP-HAQNSBGRSA-N 0 0 277.364 2.843 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1ccc(OC)cc1O ZINC000846061360 632627487 /nfs/dbraw/zinc/62/74/87/632627487.db2.gz NGZQMGKQYQJGGM-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN CCOc1ccc(O)c(CNc2cc(COC)ccn2)c1 ZINC000846117104 632638354 /nfs/dbraw/zinc/63/83/54/632638354.db2.gz KRSPXFGELKUFHE-UHFFFAOYSA-N 0 0 288.347 2.944 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC12CC2 ZINC000817516738 632655827 /nfs/dbraw/zinc/65/58/27/632655827.db2.gz CIOOXEUMLHQCOF-OAHLLOKOSA-N 0 0 270.376 2.703 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000846205012 632660124 /nfs/dbraw/zinc/66/01/24/632660124.db2.gz LYJNWLHVPVTMKI-SMDDNHRTSA-N 0 0 261.365 2.784 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817558836 632661936 /nfs/dbraw/zinc/66/19/36/632661936.db2.gz HXVPNYLUPDIGMI-CABNGKKXSA-N 0 0 289.375 2.581 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(F)cc1[O-] ZINC000846214874 632663106 /nfs/dbraw/zinc/66/31/06/632663106.db2.gz XAWKFAUZNGBASA-GDBMZVCRSA-N 0 0 297.370 2.504 20 10 CFCDRN Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846224582 632668627 /nfs/dbraw/zinc/66/86/27/632668627.db2.gz RRGNOPQRYSZIEF-OAHLLOKOSA-N 0 0 276.380 2.500 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000817586001 632671451 /nfs/dbraw/zinc/67/14/51/632671451.db2.gz KVGSISUTXUVKPM-DMDPSCGWSA-N 0 0 294.351 2.909 20 10 CFCDRN COC1([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000817587213 632671542 /nfs/dbraw/zinc/67/15/42/632671542.db2.gz CSZFRGBMFRFNPP-NEPJUHHUSA-N 0 0 297.370 2.766 20 10 CFCDRN CON1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000817589682 632673124 /nfs/dbraw/zinc/67/31/24/632673124.db2.gz ZTOJUDHJHXZECS-SNVBAGLBSA-N 0 0 284.787 2.722 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000846266394 632678164 /nfs/dbraw/zinc/67/81/64/632678164.db2.gz ZKEBIBATALILLR-MRXNPFEDSA-N 0 0 290.407 2.972 20 10 CFCDRN Cc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)ccc1N(C)C ZINC000846265476 632678242 /nfs/dbraw/zinc/67/82/42/632678242.db2.gz KEQMPCYNBDCFKI-UHFFFAOYSA-N 0 0 290.407 2.748 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])ccc1N(C)C ZINC000846273622 632679044 /nfs/dbraw/zinc/67/90/44/632679044.db2.gz ZRFXNPNNPZHFFS-INIZCTEOSA-N 0 0 276.380 2.500 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000846274939 632681535 /nfs/dbraw/zinc/68/15/35/632681535.db2.gz OOKSPCCJHCZEPW-HNNXBMFYSA-N 0 0 276.380 2.582 20 10 CFCDRN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1N(C)C ZINC000846282188 632683524 /nfs/dbraw/zinc/68/35/24/632683524.db2.gz WOKGAHFYWYQBLN-HIFRSBDPSA-N 0 0 290.407 2.604 20 10 CFCDRN Cc1cc(NC(=O)c2ccc(C)c(O)c2O)nn1C(C)C ZINC000817701441 632687382 /nfs/dbraw/zinc/68/73/82/632687382.db2.gz FYRCOHBFMOVXMC-UHFFFAOYSA-N 0 0 289.335 2.744 20 10 CFCDRN CCOCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760706 632708747 /nfs/dbraw/zinc/70/87/47/632708747.db2.gz FGJJLAKLDGHZDN-UHFFFAOYSA-N 0 0 261.321 2.737 20 10 CFCDRN Cc1ccc(C(=O)N2CCC3(CC3(F)F)CC2)c(O)c1O ZINC000846469991 632714837 /nfs/dbraw/zinc/71/48/37/632714837.db2.gz XVPROLLHBRHFQL-UHFFFAOYSA-N 0 0 297.301 2.668 20 10 CFCDRN CC(C)n1cnc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846472730 632715874 /nfs/dbraw/zinc/71/58/74/632715874.db2.gz FGIVULSJWLVBOE-UHFFFAOYSA-N 0 0 293.754 2.753 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1=CCCC1 ZINC000846477964 632717898 /nfs/dbraw/zinc/71/78/98/632717898.db2.gz YEZAMFCQJMFZIR-UHFFFAOYSA-N 0 0 251.713 2.772 20 10 CFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000846477995 632718408 /nfs/dbraw/zinc/71/84/08/632718408.db2.gz YRZXDANGWGEROD-ZCFIWIBFSA-N 0 0 281.661 2.860 20 10 CFCDRN C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817944385 632747282 /nfs/dbraw/zinc/74/72/82/632747282.db2.gz AHAZHTUQVHQGIG-YUMQZZPRSA-N 0 0 275.179 2.712 20 10 CFCDRN C[C@@H]([NH2+]CCNC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817952511 632752903 /nfs/dbraw/zinc/75/29/03/632752903.db2.gz FNEOGEWFULETBO-SECBINFHSA-N 0 0 288.313 2.814 20 10 CFCDRN CC[C@H]([NH2+]CCNC1CC1)c1cccc(Cl)c1[O-] ZINC000817954590 632754994 /nfs/dbraw/zinc/75/49/94/632754994.db2.gz ZLNFYUKYUDIBRD-ZDUSSCGKSA-N 0 0 268.788 2.838 20 10 CFCDRN C[C@H]([NH2+][C@H](CN)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817959094 632756847 /nfs/dbraw/zinc/75/68/47/632756847.db2.gz BYNVXGNKZKGVEP-QPUJVOFHSA-N 0 0 288.313 2.799 20 10 CFCDRN O=C(Nc1cc2c([nH]c1=O)CCCC2)C1=CC(=O)CS1 ZINC000846658430 632766666 /nfs/dbraw/zinc/76/66/66/632766666.db2.gz CVKIASMAVBABKS-UHFFFAOYSA-N 0 0 290.344 2.685 20 10 CFCDRN Nc1ccc(CCNC(=O)/C=C/C2CCCC2)cc1 ZINC000846665296 632768604 /nfs/dbraw/zinc/76/86/04/632768604.db2.gz IVUVLYJWONMBEI-JXMROGBWSA-N 0 0 258.365 2.674 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nccc(N)n1 ZINC000846863072 632824905 /nfs/dbraw/zinc/82/49/05/632824905.db2.gz YGKOKQVQQGOKLH-NWDGAFQWSA-N 0 0 285.395 2.537 20 10 CFCDRN C[C@@H](N[C@@H](C)c1nccc(N)n1)c1ccc(N(C)C)cc1 ZINC000846863071 632825085 /nfs/dbraw/zinc/82/50/85/632825085.db2.gz YGKOKQVQQGOKLH-NEPJUHHUSA-N 0 0 285.395 2.537 20 10 CFCDRN CCn1nc(C)c(CN[C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000818346851 632835044 /nfs/dbraw/zinc/83/50/44/632835044.db2.gz VHPCEHCHWLCADV-VIFPVBQESA-N 0 0 294.786 2.816 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818357731 632837435 /nfs/dbraw/zinc/83/74/35/632837435.db2.gz KBRGOHSBFDNLRA-WQGWLQIFSA-N 0 0 276.163 2.873 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)c(O)c1 ZINC000846948879 632855250 /nfs/dbraw/zinc/85/52/50/632855250.db2.gz CZFJYYSJPKCNEI-GFCCVEGCSA-N 0 0 289.375 2.987 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC(C(C)=O)CC2)c1O ZINC000846951277 632856803 /nfs/dbraw/zinc/85/68/03/632856803.db2.gz PVKMVSPMQOSLNN-UHFFFAOYSA-N 0 0 293.338 2.535 20 10 CFCDRN CCC(CC)[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000818544767 632863308 /nfs/dbraw/zinc/86/33/08/632863308.db2.gz NBIMWEMEXQLRFL-GFCCVEGCSA-N 0 0 262.397 3.000 20 10 CFCDRN Cn1cc(C(=O)Nc2ccc(N)cc2)c(C(C)(C)C)n1 ZINC000818556506 632866375 /nfs/dbraw/zinc/86/63/75/632866375.db2.gz XOKIWFRVCVVNAJ-UHFFFAOYSA-N 0 0 272.352 2.552 20 10 CFCDRN CN(CC[S@@](C)=O)c1ccc(-c2nccs2)cc1 ZINC000846996599 632874375 /nfs/dbraw/zinc/87/43/75/632874375.db2.gz SYVCXOXYFYYTQD-GOSISDBHSA-N 0 0 280.418 2.625 20 10 CFCDRN Cc1cc(Cl)cc(C[NH2+]CCC(C)(C)C(=O)[O-])c1O ZINC000818629172 632883416 /nfs/dbraw/zinc/88/34/16/632883416.db2.gz UOAODVPTJMLMAR-UHFFFAOYSA-N 0 0 285.771 2.945 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631590 632884519 /nfs/dbraw/zinc/88/45/19/632884519.db2.gz KDRXXAHJKKZZJC-IAQYHMDHSA-N 0 0 294.370 2.577 20 10 CFCDRN CC(C)CCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819164709 632993026 /nfs/dbraw/zinc/99/30/26/632993026.db2.gz MTGFMVQGCJQCBY-UHFFFAOYSA-N 0 0 290.363 2.593 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCCO1 ZINC000819382698 633141676 /nfs/dbraw/zinc/14/16/76/633141676.db2.gz QNJMWBZWQBWTJX-FEAKQIBJSA-N 0 0 289.375 2.866 20 10 CFCDRN CSC[C@H](O)CNc1ccccc1OCC(C)C ZINC000819415820 633153928 /nfs/dbraw/zinc/15/39/28/633153928.db2.gz JYZSMJNHDKVCKH-GFCCVEGCSA-N 0 0 269.410 2.857 20 10 CFCDRN CCOC[C@H](O)CNc1ccccc1OCC(C)C ZINC000819416757 633155162 /nfs/dbraw/zinc/15/51/62/633155162.db2.gz RAGZZMOTUBIKFO-CYBMUJFWSA-N 0 0 267.369 2.531 20 10 CFCDRN CC(C)OCC[C@H](O)CNc1ccccc1OCCF ZINC000819488583 633179731 /nfs/dbraw/zinc/17/97/31/633179731.db2.gz NWCLCJCXXCBVBN-ZDUSSCGKSA-N 0 0 285.359 2.623 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1CO ZINC000857060502 635921189 /nfs/dbraw/zinc/92/11/89/635921189.db2.gz AMMZXLYXGIMRNT-NXEZZACHSA-N 0 0 287.762 2.635 20 10 CFCDRN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000848292150 633235105 /nfs/dbraw/zinc/23/51/05/633235105.db2.gz WEXJDKFEMPSWGZ-SOFGYWHQSA-N 0 0 263.337 2.758 20 10 CFCDRN CC(C)OC(=O)C[C@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000848392152 633247337 /nfs/dbraw/zinc/24/73/37/633247337.db2.gz VSAJKYMRZMPOEA-NSHDSACASA-N 0 0 299.392 2.550 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](OC2CCC2)C1 ZINC000848391126 633247468 /nfs/dbraw/zinc/24/74/68/633247468.db2.gz VYZQDAXOTBJDLE-GFCCVEGCSA-N 0 0 281.377 2.627 20 10 CFCDRN CN(C)c1ccc(CN[C@H]2CCCn3ccnc32)cc1F ZINC000848524204 633276082 /nfs/dbraw/zinc/27/60/82/633276082.db2.gz DJTSADZGJHQZBU-AWEZNQCLSA-N 0 0 288.370 2.713 20 10 CFCDRN Nc1ccc(CC(=O)N2CC3CC2(c2ccccc2)C3)cc1 ZINC000852923223 634861581 /nfs/dbraw/zinc/86/15/81/634861581.db2.gz AOFNYTPAUOAVRL-UHFFFAOYSA-N 0 0 292.382 2.959 20 10 CFCDRN Cc1cnc(CCNC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000848594280 633297331 /nfs/dbraw/zinc/29/73/31/633297331.db2.gz IKXJBXIOXSAGRM-UHFFFAOYSA-N 0 0 284.363 2.645 20 10 CFCDRN CN1C(=O)/C(=C/c2cccc(F)c2F)SC1=S ZINC000107779544 633317992 /nfs/dbraw/zinc/31/79/92/633317992.db2.gz WZRDIVOBHMUJOF-YVMONPNESA-N 0 0 271.313 2.796 20 10 CFCDRN COc1ccc(N2CC[C@H](CNC(=O)C=C(C)C)C2)cc1 ZINC000819578497 633393179 /nfs/dbraw/zinc/39/31/79/633393179.db2.gz NLWRXDHQINKUMT-CQSZACIVSA-N 0 0 288.391 2.604 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000819604296 633397956 /nfs/dbraw/zinc/39/79/56/633397956.db2.gz VYEVRNWZNRTDOK-MPCGPATOSA-N 0 0 287.359 2.663 20 10 CFCDRN Cc1cc(C(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccccn1 ZINC000819624694 633401102 /nfs/dbraw/zinc/40/11/02/633401102.db2.gz BLUYBDKOAANVLD-CQSZACIVSA-N 0 0 281.359 2.771 20 10 CFCDRN CCCCCN1CC(=O)N[C@@H]1c1cc(Cl)c(C)cc1O ZINC000849183386 633580047 /nfs/dbraw/zinc/58/00/47/633580047.db2.gz RZZWZXLDAWKGRQ-HNNXBMFYSA-N 0 0 296.798 2.975 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC(=O)[C@H]3C[C@H](C)CCN32)cc1Cl ZINC000849183458 633580232 /nfs/dbraw/zinc/58/02/32/633580232.db2.gz TVBGQPRACAOPQY-IHPUGEDLSA-N 0 0 294.782 2.583 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(n2)OCCO3)cc1 ZINC000849347862 633625127 /nfs/dbraw/zinc/62/51/27/633625127.db2.gz VAEIVRBUEKVKJQ-UHFFFAOYSA-N 0 0 285.347 2.531 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)OC3CCC3)C2)cc1 ZINC000849417695 633632639 /nfs/dbraw/zinc/63/26/39/633632639.db2.gz YBPYIUAPJLQAKA-GFCCVEGCSA-N 0 0 290.363 2.553 20 10 CFCDRN CN(C)c1cc(F)c(CNCC(F)(F)F)cc1F ZINC000858090429 636122264 /nfs/dbraw/zinc/12/22/64/636122264.db2.gz GKAJOMWWYFGJTC-UHFFFAOYSA-N 0 0 268.229 2.683 20 10 CFCDRN C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000108943102 633745452 /nfs/dbraw/zinc/74/54/52/633745452.db2.gz NHXVKFZEZTVEFL-MRVPVSSYSA-N 0 0 281.249 2.761 20 10 CFCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)NC1CC1 ZINC000849998322 633786665 /nfs/dbraw/zinc/78/66/65/633786665.db2.gz NAHYWCYGXOWZLS-YFKPBYRVSA-N 0 0 262.787 2.556 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)C1CCOCC1 ZINC000850000183 633787179 /nfs/dbraw/zinc/78/71/79/633787179.db2.gz LURCRMWRCDNTNZ-UHFFFAOYSA-N 0 0 277.798 2.884 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)NCC(F)(F)F ZINC000849998409 633787181 /nfs/dbraw/zinc/78/71/81/633787181.db2.gz OWEOMXHGOXPKPW-UHFFFAOYSA-N 0 0 290.719 2.567 20 10 CFCDRN C[C@@H](NCc1cn(C2CCC2)nn1)c1ccc(N(C)C)cc1 ZINC000850252137 633913176 /nfs/dbraw/zinc/91/31/76/633913176.db2.gz MNVZZJKTWNZFCI-CYBMUJFWSA-N 0 0 299.422 2.920 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850358130 633953697 /nfs/dbraw/zinc/95/36/97/633953697.db2.gz HPTKFDHKUWJGGP-SNVBAGLBSA-N 0 0 268.700 2.762 20 10 CFCDRN CC1(C)C[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850398777 633977077 /nfs/dbraw/zinc/97/70/77/633977077.db2.gz CELGCILOUVAOTG-CYBMUJFWSA-N 0 0 250.298 2.579 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccc(F)cc1[O-] ZINC000850485591 634014552 /nfs/dbraw/zinc/01/45/52/634014552.db2.gz LSZDPCGTFMPBMH-OCCSQVGLSA-N 0 0 285.359 2.624 20 10 CFCDRN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850499232 634020449 /nfs/dbraw/zinc/02/04/49/634020449.db2.gz LKQNFTMLBOWCNT-VDDIYKPWSA-N 0 0 292.770 2.994 20 10 CFCDRN CC[C@@H](NCc1cn(CC)nn1)c1ccc(N(C)C)cc1 ZINC000850522213 634030882 /nfs/dbraw/zinc/03/08/82/634030882.db2.gz IYHIGFABSXKFKD-MRXNPFEDSA-N 0 0 287.411 2.605 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000850530933 634037913 /nfs/dbraw/zinc/03/79/13/634037913.db2.gz FCLQYINDMQOKQB-JTQLQIEISA-N 0 0 283.343 2.968 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571398 634057193 /nfs/dbraw/zinc/05/71/93/634057193.db2.gz QFMLFMAEPXJLFV-MNOVXSKESA-N 0 0 294.351 2.766 20 10 CFCDRN CC1(C)[C@@H](CNC(=O)Nc2ccc(N)cc2)C1(F)F ZINC000850749905 634078311 /nfs/dbraw/zinc/07/83/11/634078311.db2.gz GGXFQEPJQWFXSF-SNVBAGLBSA-N 0 0 269.295 2.682 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)CCCF)C2)cc1 ZINC000851098177 634220479 /nfs/dbraw/zinc/22/04/79/634220479.db2.gz CIJDQBLAXZPBLL-CYBMUJFWSA-N 0 0 295.354 2.814 20 10 CFCDRN CCCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000109779683 634235910 /nfs/dbraw/zinc/23/59/10/634235910.db2.gz CNFZOYYTKJVZMT-UHFFFAOYSA-N 0 0 285.771 2.821 20 10 CFCDRN Cc1cc(CC(=O)O[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000853103252 634905436 /nfs/dbraw/zinc/90/54/36/634905436.db2.gz KMBYRLMXGRUXAE-QGZVFWFLSA-N 0 0 299.370 2.969 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccnn1CC)c1ccc(F)cc1[O-] ZINC000853240203 634948688 /nfs/dbraw/zinc/94/86/88/634948688.db2.gz LRGYAAJJTGEPQF-AWEZNQCLSA-N 0 0 277.343 2.989 20 10 CFCDRN CCc1nnc([C@@H](C)N(C)Cc2ccccc2O)o1 ZINC000111235971 634962999 /nfs/dbraw/zinc/96/29/99/634962999.db2.gz ZEVIQDKXJLVMRP-SNVBAGLBSA-N 0 0 261.325 2.531 20 10 CFCDRN Cc1nonc1COc1ccc(N2CCCC2)cc1 ZINC000853675697 635070846 /nfs/dbraw/zinc/07/08/46/635070846.db2.gz WUNJTKQMVMENKI-UHFFFAOYSA-N 0 0 259.309 2.557 20 10 CFCDRN CN(C)c1ccc(OCCO[C@@H]2CC2(F)F)cc1 ZINC000853694411 635078189 /nfs/dbraw/zinc/07/81/89/635078189.db2.gz ZOXRPMOTJDZYGI-GFCCVEGCSA-N 0 0 257.280 2.556 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3nc(C)cnc3C)C2)cc1 ZINC000853758907 635097129 /nfs/dbraw/zinc/09/71/29/635097129.db2.gz MLWTVYHLAUQFEX-AWEZNQCLSA-N 0 0 298.390 2.793 20 10 CFCDRN Cc1cc(CC(=O)OC[C@@H](C)O)c(C)n1-c1ccccc1 ZINC000853933535 635169664 /nfs/dbraw/zinc/16/96/64/635169664.db2.gz FTYOFJVZHCLBLT-CYBMUJFWSA-N 0 0 287.359 2.561 20 10 CFCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000853956109 635177956 /nfs/dbraw/zinc/17/79/56/635177956.db2.gz QYWLLTPJZCUUIZ-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CO[C@@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000854135342 635222534 /nfs/dbraw/zinc/22/25/34/635222534.db2.gz ZYQVSMXLAZSGCE-DGCLKSJQSA-N 0 0 273.336 2.525 20 10 CFCDRN CCCn1nccc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000854135234 635223001 /nfs/dbraw/zinc/22/30/01/635223001.db2.gz XYMAKEOLABOBSP-UHFFFAOYSA-N 0 0 283.335 2.516 20 10 CFCDRN CCOC1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000855022675 635444304 /nfs/dbraw/zinc/44/43/04/635444304.db2.gz FNWVRPOXXKCCFT-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)CC3CCC3)C2)cc1 ZINC000855232083 635489958 /nfs/dbraw/zinc/48/99/58/635489958.db2.gz QMZPFQPYPRRERS-AWEZNQCLSA-N 0 0 288.391 2.580 20 10 CFCDRN CCC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231339 635490286 /nfs/dbraw/zinc/49/02/86/635490286.db2.gz LAZBNGACJFHIJZ-UONOGXRCSA-N 0 0 290.407 2.826 20 10 CFCDRN C/C=C/C=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855235100 635491038 /nfs/dbraw/zinc/49/10/38/635491038.db2.gz XBQJFWBQDUHYJD-VCEDPINUSA-N 0 0 286.375 2.522 20 10 CFCDRN CC[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000855742276 635633714 /nfs/dbraw/zinc/63/37/14/635633714.db2.gz OGFLDGQRFNGCJO-GFCCVEGCSA-N 0 0 292.404 2.656 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)C1=CC(=O)CS1 ZINC000855773465 635639588 /nfs/dbraw/zinc/63/95/88/635639588.db2.gz NNWHOXHIPVCQOO-YWVKMMECSA-N 0 0 251.351 2.620 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c(O)c1O ZINC000855775115 635641293 /nfs/dbraw/zinc/64/12/93/635641293.db2.gz LILJVCJTSKTNMG-GMXVVIOVSA-N 0 0 275.348 2.572 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000855777165 635641763 /nfs/dbraw/zinc/64/17/63/635641763.db2.gz VWSCRIARKMOOJA-KJNDZSAFSA-N 0 0 287.359 2.663 20 10 CFCDRN CCSC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000856065817 635714053 /nfs/dbraw/zinc/71/40/53/635714053.db2.gz ZZYCUVNXQALCMC-XQRVVYSFSA-N 0 0 293.388 2.513 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C(C)C)C2CC2)c(O)c1O ZINC000856124986 635732322 /nfs/dbraw/zinc/73/23/22/635732322.db2.gz XORIPIOBWNMMBK-LBPRGKRZSA-N 0 0 263.337 2.571 20 10 CFCDRN Cc1ccc(C(=O)N(C)C[C@@H]2CC2(C)C)c(O)c1O ZINC000856457604 635814531 /nfs/dbraw/zinc/81/45/31/635814531.db2.gz ANFRCVLAOBLUEO-JTQLQIEISA-N 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CFCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ns1 ZINC000857548688 635983539 /nfs/dbraw/zinc/98/35/39/635983539.db2.gz SQSYQXCGSSFGEU-UHFFFAOYSA-N 0 0 282.752 2.741 20 10 CFCDRN Cc1cnccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548132 635983729 /nfs/dbraw/zinc/98/37/29/635983729.db2.gz FHCQHSNUVVKYFF-UHFFFAOYSA-N 0 0 276.723 2.679 20 10 CFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000857547732 635983740 /nfs/dbraw/zinc/98/37/40/635983740.db2.gz RJBSNYVZVXMFLV-JTQLQIEISA-N 0 0 290.750 2.861 20 10 CFCDRN O=S(=O)(NCc1ccccc1O)c1cccc(Cl)c1 ZINC000158572968 650230278 /nfs/dbraw/zinc/23/02/78/650230278.db2.gz DIZLXWFAFIPPGW-UHFFFAOYSA-N 0 0 297.763 2.524 20 10 CFCDRN Cc1cocc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199920 636154407 /nfs/dbraw/zinc/15/44/07/636154407.db2.gz UJHBKBZNKGMGCJ-UHFFFAOYSA-N 0 0 272.348 2.926 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)C)ccc1C ZINC000858290255 636177323 /nfs/dbraw/zinc/17/73/23/636177323.db2.gz RTXYNGVGTDJCGD-UHFFFAOYSA-N 0 0 284.359 2.917 20 10 CFCDRN Cc1ncccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858518535 636280563 /nfs/dbraw/zinc/28/05/63/636280563.db2.gz IZOBCWLBSYGDGQ-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000858535350 636284621 /nfs/dbraw/zinc/28/46/21/636284621.db2.gz WMAJUVFTKNVLAR-HOCLYGCPSA-N 0 0 276.380 2.934 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2CC(OC)C2)cc1 ZINC000858605598 636306096 /nfs/dbraw/zinc/30/60/96/636306096.db2.gz VITPOSGQDZFUTR-UHFFFAOYSA-N 0 0 290.407 2.574 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cscn2)c1 ZINC000858607292 636307664 /nfs/dbraw/zinc/30/76/64/636307664.db2.gz BYUJHENNHWWOCI-SNVBAGLBSA-N 0 0 291.376 2.718 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000047831262 650246092 /nfs/dbraw/zinc/24/60/92/650246092.db2.gz RAWPRCLYGJSRDT-UHFFFAOYSA-N 0 0 289.404 2.756 20 10 CFCDRN CCC(F)(F)CNC(=O)NCc1cc(Cl)ccc1O ZINC000858803266 636347715 /nfs/dbraw/zinc/34/77/15/636347715.db2.gz WFGGETZZPNMAIX-UHFFFAOYSA-N 0 0 292.713 2.890 20 10 CFCDRN CCCOC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000858925319 636385639 /nfs/dbraw/zinc/38/56/39/636385639.db2.gz BROGTVZZJLDACK-UHFFFAOYSA-N 0 0 254.305 2.528 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cc(F)c(F)cc1F ZINC000200562672 636419023 /nfs/dbraw/zinc/41/90/23/636419023.db2.gz OZTBRHZLLFROOB-WAPJZHGLSA-N 0 0 275.276 2.593 20 10 CFCDRN CCN(CC(=O)NCC(C)(C)C)c1ccc(OC)cc1 ZINC000859174672 636487179 /nfs/dbraw/zinc/48/71/79/636487179.db2.gz CNYPPRODIAWPON-UHFFFAOYSA-N 0 0 278.396 2.684 20 10 CFCDRN Cc1cocc1C(=O)NCCCSc1nccs1 ZINC000859351525 636548505 /nfs/dbraw/zinc/54/85/05/636548505.db2.gz FQTFIMYYTNVGNX-UHFFFAOYSA-N 0 0 282.390 2.957 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(C2CC2)c1 ZINC000859420179 636561946 /nfs/dbraw/zinc/56/19/46/636561946.db2.gz UMPLLBQIAUMDJV-UHFFFAOYSA-N 0 0 298.390 2.522 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860048634 636767503 /nfs/dbraw/zinc/76/75/03/636767503.db2.gz YRFJAKCTFPRWFB-BPQIPLTHSA-N 0 0 293.366 2.937 20 10 CFCDRN 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CO[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C ZINC000188311032 650322804 /nfs/dbraw/zinc/32/28/04/650322804.db2.gz ZNPXZZLDUDCYSQ-MFKMUULPSA-N 0 0 269.772 2.902 20 10 CFCDRN CC(F)(F)CC(=O)NCc1ccc2cccnc2c1O ZINC000862025954 637265792 /nfs/dbraw/zinc/26/57/92/637265792.db2.gz CNPQQFQZBUXJLU-UHFFFAOYSA-N 0 0 280.274 2.602 20 10 CFCDRN O=C(CCC(F)F)NCc1ccc2cccnc2c1O ZINC000862026525 637265884 /nfs/dbraw/zinc/26/58/84/637265884.db2.gz REKGOUCRSYEYIJ-UHFFFAOYSA-N 0 0 280.274 2.602 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862026713 637265902 /nfs/dbraw/zinc/26/59/02/637265902.db2.gz YAQBQRGGJCGQJQ-ZWNOBZJWSA-N 0 0 270.332 2.603 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000862024543 637266281 /nfs/dbraw/zinc/26/62/81/637266281.db2.gz AKAPMESDAKEKKP-NWANDNLSSA-N 0 0 296.370 2.993 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027143 637266735 /nfs/dbraw/zinc/26/67/35/637266735.db2.gz KLZBOLUWSGGPCB-GFCCVEGCSA-N 0 0 270.332 2.603 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000862026837 637266756 /nfs/dbraw/zinc/26/67/56/637266756.db2.gz ADSVMYMXADWRCJ-WDNDVIMCSA-N 0 0 282.343 2.603 20 10 CFCDRN O=C(CCC(F)(F)F)NCc1ccc2cccnc2c1O ZINC000862028048 637266774 /nfs/dbraw/zinc/26/67/74/637266774.db2.gz NXQLLAJIQMXSBC-UHFFFAOYSA-N 0 0 298.264 2.899 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027716 637266862 /nfs/dbraw/zinc/26/68/62/637266862.db2.gz CUSXDPZGAWWZEH-JTQLQIEISA-N 0 0 290.388 2.556 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCO[C@H](C3CC3)C2)cc1F ZINC000862331173 637322528 /nfs/dbraw/zinc/32/25/28/637322528.db2.gz HLJGVABIZYDJNT-INIZCTEOSA-N 0 0 296.361 2.642 20 10 CFCDRN Cc1cccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365834 637337645 /nfs/dbraw/zinc/33/76/45/637337645.db2.gz XRWFZKUCIFSXHD-CYBMUJFWSA-N 0 0 299.296 2.827 20 10 CFCDRN CN(Cc1c[nH]cn1)Cc1c(O)cccc1Br ZINC000862408512 637362579 /nfs/dbraw/zinc/36/25/79/637362579.db2.gz JBDXBBCYYUTPAK-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)COCC2CCCC2)c1 ZINC000862754374 637479458 /nfs/dbraw/zinc/47/94/58/637479458.db2.gz BZHXAFXNXGPSRC-UHFFFAOYSA-N 0 0 277.364 2.524 20 10 CFCDRN CCCc1cc(C(=O)NCc2cc(C)ccc2O)no1 ZINC000862754991 637479732 /nfs/dbraw/zinc/47/97/32/637479732.db2.gz MRDLOWRCJXEQFJ-UHFFFAOYSA-N 0 0 274.320 2.571 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2OCc3ccccc32)c1 ZINC000862755020 637479749 /nfs/dbraw/zinc/47/97/49/637479749.db2.gz NHNLPSSNVJCZIF-KRWDZBQOSA-N 0 0 297.354 2.978 20 10 CFCDRN CC(=O)CC(C)(C)CC(=O)NCc1cc(C)ccc1O ZINC000862757149 637480558 /nfs/dbraw/zinc/48/05/58/637480558.db2.gz JDUAIAADSVLBQV-UHFFFAOYSA-N 0 0 277.364 2.712 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)COC2CCC(C)CC2)c1 ZINC000862756112 637480582 /nfs/dbraw/zinc/48/05/82/637480582.db2.gz QLZICFMGOYFTSG-UHFFFAOYSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCCCC(=O)C2)c1 ZINC000862756161 637480907 /nfs/dbraw/zinc/48/09/07/637480907.db2.gz RKZHUJZTGQTECO-ZDUSSCGKSA-N 0 0 289.375 2.856 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3cccnc32)c1 ZINC000862756494 637481060 /nfs/dbraw/zinc/48/10/60/637481060.db2.gz ZBTUNPNDLIDRPO-HNNXBMFYSA-N 0 0 296.370 2.832 20 10 CFCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2cc(C)ccc2O)CCO1 ZINC000862757592 637481334 /nfs/dbraw/zinc/48/13/34/637481334.db2.gz ZIXWCWDXOGVAJP-DZGCQCFKSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cc(C(C)C)on2)c1 ZINC000862758437 637482401 /nfs/dbraw/zinc/48/24/01/637482401.db2.gz ZBLARZXOILRMFO-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862760837 637483092 /nfs/dbraw/zinc/48/30/92/637483092.db2.gz XBKWNGBOTXPYAA-UHFFFAOYSA-N 0 0 276.361 2.704 20 10 CFCDRN CN(C)c1ccc(CNc2ncnc3ncccc32)cc1F ZINC000119164366 637521121 /nfs/dbraw/zinc/52/11/21/637521121.db2.gz FKVBAEIKIBCTSR-UHFFFAOYSA-N 0 0 297.337 2.842 20 10 CFCDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccn1 ZINC000119422369 637639138 /nfs/dbraw/zinc/63/91/38/637639138.db2.gz UQKKTRIGOWACFG-UHFFFAOYSA-N 0 0 271.320 2.760 20 10 CFCDRN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000863542936 637690313 /nfs/dbraw/zinc/69/03/13/637690313.db2.gz UXUWEBBYHMSPQQ-TVQRCGJNSA-N 0 0 282.334 2.606 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](C2CC2)C2CCOCC2)ccc(F)c1F ZINC000864051702 637845044 /nfs/dbraw/zinc/84/50/44/637845044.db2.gz PQCRXNJSOGKRSE-OAHLLOKOSA-N 0 0 297.345 2.965 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000864633467 638054448 /nfs/dbraw/zinc/05/44/48/638054448.db2.gz HLHUMGWBNSVGRR-AWEZNQCLSA-N 0 0 297.402 2.910 20 10 CFCDRN Cc1conc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864862540 638110596 /nfs/dbraw/zinc/11/05/96/638110596.db2.gz KJSPDJITOCLAAS-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)/C=C/c2ccc[nH]2)cc1 ZINC000189653811 650393511 /nfs/dbraw/zinc/39/35/11/650393511.db2.gz SQXMXCVMHZJBRV-DHZHZOJOSA-N 0 0 283.375 2.753 20 10 CFCDRN CSCCCNC(=S)N[C@H](C)c1ccccc1O ZINC000865269386 638249002 /nfs/dbraw/zinc/24/90/02/638249002.db2.gz KRXQCSIEXLVVQP-SNVBAGLBSA-N 0 0 284.450 2.670 20 10 CFCDRN CCOc1ccc(CNc2nnc([C@H]3C[C@@H]3C)o2)c(O)c1 ZINC000865296547 638262591 /nfs/dbraw/zinc/26/25/91/638262591.db2.gz ZLQANLLZLZZUNS-CABZTGNLSA-N 0 0 289.335 2.909 20 10 CFCDRN Oc1ccccc1CN(Cc1ccon1)C[C@H]1CCCO1 ZINC000077284165 650416527 /nfs/dbraw/zinc/41/65/27/650416527.db2.gz BGNOSJBSYOLWAE-OAHLLOKOSA-N 0 0 288.347 2.561 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1cnn(C)c1 ZINC000120574808 638360147 /nfs/dbraw/zinc/36/01/47/638360147.db2.gz YVBWSJJWJUUBFP-CMDGGOBGSA-N 0 0 299.374 2.578 20 10 CFCDRN CC(C)(F)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000865654754 638490945 /nfs/dbraw/zinc/49/09/45/638490945.db2.gz UHKXWJAODSYYIU-UHFFFAOYSA-N 0 0 276.149 2.992 20 10 CFCDRN Cc1cccc2c1N[C@H](c1cc(F)ccc1O)NC2=O ZINC000077472208 650427379 /nfs/dbraw/zinc/42/73/79/650427379.db2.gz ILHUYMHKCVIUSV-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN CCOc1ccc(CNc2cnn3c2CCCC3)c(O)c1 ZINC000865709683 638528091 /nfs/dbraw/zinc/52/80/91/638528091.db2.gz NOHSAHRUGHQWFT-UHFFFAOYSA-N 0 0 287.363 2.936 20 10 CFCDRN CC(C)CN(C(=O)CSc1nccs1)C1CC1 ZINC000077591198 650434500 /nfs/dbraw/zinc/43/45/00/650434500.db2.gz MILHDVDFDYETNQ-UHFFFAOYSA-N 0 0 270.423 2.882 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCCC1CC1 ZINC000077624042 650435964 /nfs/dbraw/zinc/43/59/64/650435964.db2.gz YODANSUOUYCXFP-UHFFFAOYSA-N 0 0 262.353 2.724 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCSC)c1 ZINC000077668676 650440789 /nfs/dbraw/zinc/44/07/89/650440789.db2.gz NFTKMWICZQHRCO-SNVBAGLBSA-N 0 0 298.408 2.514 20 10 CFCDRN O=C(NCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000866100267 638737172 /nfs/dbraw/zinc/73/71/72/638737172.db2.gz OBTXUTXJYXMYJQ-UHFFFAOYSA-N 0 0 260.337 2.608 20 10 CFCDRN CCOc1cc(N2Cc3cccc(O)c3C2)c(F)cn1 ZINC000866118152 638746407 /nfs/dbraw/zinc/74/64/07/638746407.db2.gz XLPYNSJSVIFNNA-UHFFFAOYSA-N 0 0 274.295 2.845 20 10 CFCDRN CC(C)c1cc(N2Cc3cccc(O)c3C2)ncn1 ZINC000866118689 638746812 /nfs/dbraw/zinc/74/68/12/638746812.db2.gz FAQWROLBWYZENA-UHFFFAOYSA-N 0 0 255.321 2.826 20 10 CFCDRN CC1(C)OC(=O)c2c1ccnc2N1Cc2cccc(O)c2C1 ZINC000866119344 638746853 /nfs/dbraw/zinc/74/68/53/638746853.db2.gz NUVZILRYTNOIKX-UHFFFAOYSA-N 0 0 296.326 2.713 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000866137088 638753997 /nfs/dbraw/zinc/75/39/97/638753997.db2.gz RHBNISCVTWRWIO-IYBDPMFKSA-N 0 0 299.418 2.860 20 10 CFCDRN C[C@H](NC(=O)c1nnc(C(C)(C)C)o1)c1ccccc1O ZINC000866161711 638761021 /nfs/dbraw/zinc/76/10/21/638761021.db2.gz UNOBEFPMKRUHOI-VIFPVBQESA-N 0 0 289.335 2.564 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866407854 638816242 /nfs/dbraw/zinc/81/62/42/638816242.db2.gz COEZMJHWDKIXEC-QMMMGPOBSA-N 0 0 256.277 2.699 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Cl)cc1[O-] ZINC000866443161 638821875 /nfs/dbraw/zinc/82/18/75/638821875.db2.gz WXFPBCDFKIZSNN-XCBNKYQSSA-N 0 0 279.714 2.712 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(F)cc1[O-] ZINC000866447300 638823475 /nfs/dbraw/zinc/82/34/75/638823475.db2.gz ZFXDIDBLYKBWMK-JRSDMVBBSA-N 0 0 291.366 2.995 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1conc1C ZINC000866602051 638852417 /nfs/dbraw/zinc/85/24/17/638852417.db2.gz ZICYZDMDLROLIK-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1 ZINC000866765080 638874342 /nfs/dbraw/zinc/87/43/42/638874342.db2.gz QZRGGTFOFANYLI-XFFHKKHPSA-N 0 0 289.375 2.870 20 10 CFCDRN CCC(CC)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834560 638900683 /nfs/dbraw/zinc/90/06/83/638900683.db2.gz QTAOUBRCAQMQOB-NSHDSACASA-N 0 0 285.409 2.809 20 10 CFCDRN COc1ccc(N(C)CC(=O)N(C)CC2CC2)cc1Cl ZINC000121931372 638907592 /nfs/dbraw/zinc/90/75/92/638907592.db2.gz NJPCNTPROAWAKB-UHFFFAOYSA-N 0 0 296.798 2.653 20 10 CFCDRN Nc1ccc(CNC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000868063069 638919991 /nfs/dbraw/zinc/91/99/91/638919991.db2.gz XOFKBZDMOZBPIC-HNNXBMFYSA-N 0 0 288.391 2.624 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000868220518 638931008 /nfs/dbraw/zinc/93/10/08/638931008.db2.gz IQHNOCSUQCZEFP-GVXVVHGQSA-N 0 0 262.353 2.941 20 10 CFCDRN CCc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)on1 ZINC000868300324 638935854 /nfs/dbraw/zinc/93/58/54/638935854.db2.gz WQVUTOFLQLJLJI-JTQLQIEISA-N 0 0 289.335 2.503 20 10 CFCDRN C[C@H](NC(=O)NCC1(C)CCC1)c1ccccc1O ZINC000868345155 638939364 /nfs/dbraw/zinc/93/93/64/638939364.db2.gz BIKXRAVXMSHYGB-NSHDSACASA-N 0 0 262.353 2.943 20 10 CFCDRN C[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccccc1O ZINC000868434216 638945145 /nfs/dbraw/zinc/94/51/45/638945145.db2.gz YCDNFWSRZCIGNK-LLVKDONJSA-N 0 0 274.364 2.943 20 10 CFCDRN CCC[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868659468 638966580 /nfs/dbraw/zinc/96/65/80/638966580.db2.gz XOQDKADKWOYHKD-RYUDHWBXSA-N 0 0 280.368 2.568 20 10 CFCDRN Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)ccn1 ZINC000868665206 638967307 /nfs/dbraw/zinc/96/73/07/638967307.db2.gz RHYAWTJPAFYZQP-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN CO[C@@H]([C@@H](C)NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868681318 638968550 /nfs/dbraw/zinc/96/85/50/638968550.db2.gz GFBFMWDKPYFCQW-HFAKWTLXSA-N 0 0 292.379 2.566 20 10 CFCDRN Cc1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)nc1C ZINC000868694964 638969701 /nfs/dbraw/zinc/96/97/01/638969701.db2.gz AGTMRWYRQGNJSP-ZDUSSCGKSA-N 0 0 299.374 2.964 20 10 CFCDRN CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868694095 638969854 /nfs/dbraw/zinc/96/98/54/638969854.db2.gz VRCOMUNOLBJVMF-RWMBFGLXSA-N 0 0 292.379 2.708 20 10 CFCDRN C[C@@H](NC(=O)NCCc1ccoc1)c1ccccc1O ZINC000868772375 638977782 /nfs/dbraw/zinc/97/77/82/638977782.db2.gz GZCFMEKRHFOPBW-LLVKDONJSA-N 0 0 274.320 2.588 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000868775893 638978394 /nfs/dbraw/zinc/97/83/94/638978394.db2.gz VKWGKKYDPXAOBM-JHJVBQTASA-N 0 0 292.379 2.710 20 10 CFCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868777512 638978590 /nfs/dbraw/zinc/97/85/90/638978590.db2.gz APLSFNISMURBKI-GWCFXTLKSA-N 0 0 262.353 2.941 20 10 CFCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868777514 638978652 /nfs/dbraw/zinc/97/86/52/638978652.db2.gz APLSFNISMURBKI-MFKMUULPSA-N 0 0 262.353 2.941 20 10 CFCDRN C[C@@H](NC(=O)NCCCc1ccco1)c1ccccc1O ZINC000868788543 638979768 /nfs/dbraw/zinc/97/97/68/638979768.db2.gz OKNLHMAYCXSQJH-GFCCVEGCSA-N 0 0 288.347 2.978 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1O ZINC000868812838 638981707 /nfs/dbraw/zinc/98/17/07/638981707.db2.gz MGXONEZLYRRWBX-KYSMWIMPSA-N 0 0 292.379 2.564 20 10 CFCDRN O=C(Cc1cccc(F)c1F)NCc1ccccc1O ZINC000122672886 639306972 /nfs/dbraw/zinc/30/69/72/639306972.db2.gz NOQNSSSYVRHREP-UHFFFAOYSA-N 0 0 277.270 2.529 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000869647554 639337717 /nfs/dbraw/zinc/33/77/17/639337717.db2.gz DXYQPYWAXWLJLG-GHMZBOCLSA-N 0 0 292.331 2.506 20 10 CFCDRN Cc1ccc(O)c(CNc2nncn2-c2ccccc2)c1 ZINC000191584808 650512060 /nfs/dbraw/zinc/51/20/60/650512060.db2.gz KUZYCKIQPDNDTG-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC(=O)CN2Cc2ccccc2)cc1C ZINC000078763116 650530649 /nfs/dbraw/zinc/53/06/49/650530649.db2.gz FCAPTCAFWFBOTJ-GOSISDBHSA-N 0 0 296.370 2.640 20 10 CFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccccc1 ZINC000192155820 650543157 /nfs/dbraw/zinc/54/31/57/650543157.db2.gz QKVCBVNQBDAKEF-UHFFFAOYSA-N 0 0 295.385 2.915 20 10 CFCDRN Cc1cccc([C@@H](C)CNC(=O)c2cccc(O)c2O)c1 ZINC000193087073 650622274 /nfs/dbraw/zinc/62/22/74/650622274.db2.gz JCMWJGOUOHZBOE-LBPRGKRZSA-N 0 0 285.343 2.940 20 10 CFCDRN Cn1nc(C(C)(C)C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200876 641241751 /nfs/dbraw/zinc/24/17/51/641241751.db2.gz LJHXFTRPYZGXLC-UHFFFAOYSA-N 0 0 299.374 2.579 20 10 CFCDRN O=C(CCC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000871202284 641242028 /nfs/dbraw/zinc/24/20/28/641242028.db2.gz CGHBYPAWNRBEFR-UHFFFAOYSA-N 0 0 259.227 2.577 20 10 CFCDRN C[C@@H](CC(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204100 641243006 /nfs/dbraw/zinc/24/30/06/641243006.db2.gz BTPPFUSGQQSJLT-QMMMGPOBSA-N 0 0 273.254 2.823 20 10 CFCDRN O=C([C@@H]1CCCc2cccnc21)N1Cc2cccc(O)c2C1 ZINC000871203445 641243199 /nfs/dbraw/zinc/24/31/99/641243199.db2.gz AJPMMUGJFDVBHT-CQSZACIVSA-N 0 0 294.354 2.750 20 10 CFCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000871205156 641243846 /nfs/dbraw/zinc/24/38/46/641243846.db2.gz PNFFZLKKSMAOND-UHFFFAOYSA-N 0 0 282.343 2.607 20 10 CFCDRN C[C@]1(C(=O)N2Cc3cccc(O)c3C2)CC=CCC1 ZINC000871206319 641245094 /nfs/dbraw/zinc/24/50/94/641245094.db2.gz ZMNQJXCNAPCKJU-INIZCTEOSA-N 0 0 257.333 2.981 20 10 CFCDRN C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CC=CCC1 ZINC000871206320 641245502 /nfs/dbraw/zinc/24/55/02/641245502.db2.gz ZMNQJXCNAPCKJU-MRXNPFEDSA-N 0 0 257.333 2.981 20 10 CFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000871207058 641246381 /nfs/dbraw/zinc/24/63/81/641246381.db2.gz JCESTXRVBGDPPY-MRVPVSSYSA-N 0 0 273.254 2.823 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@H]2C=C[C@@H](C(=O)[O-])C2)cc1C ZINC000871874633 641492671 /nfs/dbraw/zinc/49/26/71/641492671.db2.gz TYOGGSXHZFKIKP-CABCVRRESA-N 0 0 289.375 2.903 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])cc1C ZINC000871878404 641494748 /nfs/dbraw/zinc/49/47/48/641494748.db2.gz KEDYWCGRNTVGIN-CHWSQXEVSA-N 0 0 279.380 2.983 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000019278957 641517091 /nfs/dbraw/zinc/51/70/91/641517091.db2.gz JRNHZLWWSPWJCS-UHFFFAOYSA-N 0 0 266.344 2.939 20 10 CFCDRN Cc1nonc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000872137289 641665938 /nfs/dbraw/zinc/66/59/38/641665938.db2.gz RWAYIUJBNUAMGN-XCBNKYQSSA-N 0 0 277.299 2.561 20 10 CFCDRN Cc1nonc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000872137928 641666079 /nfs/dbraw/zinc/66/60/79/641666079.db2.gz XTBPIWJOMRAZMP-NSHDSACASA-N 0 0 261.325 2.551 20 10 CFCDRN COc1cccc(CNc2cc(C)nc3c2cnn3C)c1O ZINC000872441015 641811768 /nfs/dbraw/zinc/81/17/68/641811768.db2.gz FKJRMZCWRXJWHJ-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000124319579 641961124 /nfs/dbraw/zinc/96/11/24/641961124.db2.gz DLYMGMYYOAUIFE-QMMMGPOBSA-N 0 0 270.716 2.938 20 10 CFCDRN CCOc1cccc(CNc2cnn(CC)c2C)c1O ZINC000873195176 642059589 /nfs/dbraw/zinc/05/95/89/642059589.db2.gz ABIOFHLLMSQSPN-UHFFFAOYSA-N 0 0 275.352 2.928 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873216003 642071198 /nfs/dbraw/zinc/07/11/98/642071198.db2.gz IASIXHZYDZXFHA-PHIMTYICSA-N 0 0 287.190 2.635 20 10 CFCDRN Cc1ccc(C(=O)OC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(O)c1O ZINC000873355413 642149632 /nfs/dbraw/zinc/14/96/32/642149632.db2.gz IWTQFKQHJLHNPG-GVXVVHGQSA-N 0 0 292.331 2.521 20 10 CFCDRN CN(c1ccc(CNC(N)=O)cc1)C1CCCCC1 ZINC000194846996 650730282 /nfs/dbraw/zinc/73/02/82/650730282.db2.gz OBWFWDZJKNNPCR-UHFFFAOYSA-N 0 0 261.369 2.624 20 10 CFCDRN O=C1NCc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000124531315 642212256 /nfs/dbraw/zinc/21/22/56/642212256.db2.gz WEMLIYSAUDDWDH-UHFFFAOYSA-N 0 0 288.734 2.901 20 10 CFCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000124550024 642220727 /nfs/dbraw/zinc/22/07/27/642220727.db2.gz GOXJOHQQOPCVPI-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN COc1cc(NCCCSc2nccs2)ncn1 ZINC000124581198 642260769 /nfs/dbraw/zinc/26/07/69/642260769.db2.gz FUNRYGFVHRRDAE-UHFFFAOYSA-N 0 0 282.394 2.536 20 10 CFCDRN CCC(C)(C)[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000873860315 642301339 /nfs/dbraw/zinc/30/13/39/642301339.db2.gz IGDGVXGWOTZMFO-HNNXBMFYSA-N 0 0 292.423 2.508 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124788709 642322509 /nfs/dbraw/zinc/32/25/09/642322509.db2.gz ZGSWUSYEJIQMPY-UHFFFAOYSA-N 0 0 279.771 2.686 20 10 CFCDRN CC[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874325552 642369143 /nfs/dbraw/zinc/36/91/43/642369143.db2.gz YLYPYPUBPCNTGN-GFCCVEGCSA-N 0 0 274.324 2.864 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000874342740 642370696 /nfs/dbraw/zinc/37/06/96/642370696.db2.gz IGBHTPQKPRFPLS-ZDUSSCGKSA-N 0 0 286.335 2.864 20 10 CFCDRN O=C1NC(=O)C(=Cc2cc(F)cc(Cl)c2)S1 ZINC000874927345 642552883 /nfs/dbraw/zinc/55/28/83/642552883.db2.gz BEYFHQBFAYSHMD-FPYGCLRLSA-N 0 0 257.673 2.803 20 10 CFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000874999946 642575649 /nfs/dbraw/zinc/57/56/49/642575649.db2.gz JWBFCDUBPMGVEU-LLVKDONJSA-N 0 0 283.331 2.574 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(F)c(F)c1F ZINC000125282424 642587164 /nfs/dbraw/zinc/58/71/64/642587164.db2.gz YUAVHWGAVMBIML-UHFFFAOYSA-N 0 0 281.233 2.740 20 10 CFCDRN O=C(NC[C@H]1CC=CCC1)N1Cc2cccc(O)c2C1 ZINC000875162174 642593243 /nfs/dbraw/zinc/59/32/43/642593243.db2.gz OBLUTGSJBXIKLJ-LBPRGKRZSA-N 0 0 272.348 2.774 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCCC23CC3)c1 ZINC000875289406 642603053 /nfs/dbraw/zinc/60/30/53/642603053.db2.gz GSXTUXXXLLJAMM-AWEZNQCLSA-N 0 0 290.363 2.533 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CC12CCC2 ZINC000875376248 642615623 /nfs/dbraw/zinc/61/56/23/642615623.db2.gz MDWKWHCDUBRHLN-SNVBAGLBSA-N 0 0 297.449 2.867 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCCc2ccccn2)c1 ZINC000875402572 642618450 /nfs/dbraw/zinc/61/84/50/642618450.db2.gz QPLCZLXVIDGDQW-UHFFFAOYSA-N 0 0 299.374 2.528 20 10 CFCDRN Cc1ccnc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000875623062 642653963 /nfs/dbraw/zinc/65/39/63/642653963.db2.gz RFNKDUCBCLCJRK-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN O=C(N[C@@H](C1CC1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000875655077 642659701 /nfs/dbraw/zinc/65/97/01/642659701.db2.gz BSVKRAKNKDMZOW-MRXNPFEDSA-N 0 0 286.375 2.996 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cscn1 ZINC000875729750 642674912 /nfs/dbraw/zinc/67/49/12/642674912.db2.gz DLARPMHVRZWTKC-VIFPVBQESA-N 0 0 289.360 2.635 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccccc2O)c1F ZINC000125599510 642689328 /nfs/dbraw/zinc/68/93/28/642689328.db2.gz ZYTVDWRUVNFAMO-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN CCOCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125766293 642778248 /nfs/dbraw/zinc/77/82/48/642778248.db2.gz NYUTWCDHNBLFKL-UHFFFAOYSA-N 0 0 283.368 2.575 20 10 CFCDRN CCCCN(C(=O)/C=C\c1cnccn1)c1ccncc1 ZINC000876290740 642812818 /nfs/dbraw/zinc/81/28/18/642812818.db2.gz ULUXFUMMYBWHAM-PLNGDYQASA-N 0 0 282.347 2.718 20 10 CFCDRN Nc1ccc(NC(=O)c2ccnn2CC2CCC2)cc1 ZINC000876503911 642896487 /nfs/dbraw/zinc/89/64/87/642896487.db2.gz HKKADMHTCWCACY-UHFFFAOYSA-N 0 0 270.336 2.518 20 10 CFCDRN COc1cnc(F)c(CN(C)Cc2ccccc2O)c1 ZINC000876616538 642947499 /nfs/dbraw/zinc/94/74/99/642947499.db2.gz ZEFWXLPROFWBDP-UHFFFAOYSA-N 0 0 276.311 2.567 20 10 CFCDRN COCCN(Cc1c(C)cccc1O)CC(F)(F)F ZINC000876651187 642958586 /nfs/dbraw/zinc/95/85/86/642958586.db2.gz RFLFKDPOQNMXQP-UHFFFAOYSA-N 0 0 277.286 2.711 20 10 CFCDRN Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c(O)c1 ZINC000876746268 642990750 /nfs/dbraw/zinc/99/07/50/642990750.db2.gz JOPCZDNDTCUCJA-SFHVURJKSA-N 0 0 299.370 2.980 20 10 CFCDRN [O-]c1c(CN2CCO[C@H](c3ccco3)C2)ccc(F)c1F ZINC000876790576 643010648 /nfs/dbraw/zinc/01/06/48/643010648.db2.gz PCTQKYDCKQMUIH-ZDUSSCGKSA-N 0 0 295.285 2.837 20 10 CFCDRN CCOc1ccccc1NC(=O)c1cccc(O)c1O ZINC000126201140 643046276 /nfs/dbraw/zinc/04/62/76/643046276.db2.gz HVJXKGTZLUSMMQ-UHFFFAOYSA-N 0 0 273.288 2.749 20 10 CFCDRN O=C(Nc1cccc2cccnc21)c1cccc(O)c1O ZINC000126200908 643046578 /nfs/dbraw/zinc/04/65/78/643046578.db2.gz JXSHCESYZATFMS-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1C ZINC000126231441 643056821 /nfs/dbraw/zinc/05/68/21/643056821.db2.gz XGRQYSNGAIQJGE-FOGDFJRCSA-N 0 0 263.337 2.652 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876960389 643082028 /nfs/dbraw/zinc/08/20/28/643082028.db2.gz XWTMLMPZABASCI-CQSZACIVSA-N 0 0 293.313 2.802 20 10 CFCDRN C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876974930 643089160 /nfs/dbraw/zinc/08/91/60/643089160.db2.gz XVQVMUSQCCZCKZ-ZETCQYMHSA-N 0 0 299.239 2.727 20 10 CFCDRN CN(C(=O)c1cc2c([nH]1)CCCC2)c1ccc(N)cc1 ZINC000877074540 643136425 /nfs/dbraw/zinc/13/64/25/643136425.db2.gz NYOXKCAFXOAXHC-UHFFFAOYSA-N 0 0 269.348 2.752 20 10 CFCDRN CN(C(=O)[C@H]1COC[C@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877075103 643137005 /nfs/dbraw/zinc/13/70/05/643137005.db2.gz ZJEYVAHCUUCGFK-IRXDYDNUSA-N 0 0 296.370 2.662 20 10 CFCDRN CN(C(=O)c1ccnn1CC1CCC1)c1ccc(N)cc1 ZINC000877074663 643137615 /nfs/dbraw/zinc/13/76/15/643137615.db2.gz OPCTXHHTWVXMLA-UHFFFAOYSA-N 0 0 284.363 2.542 20 10 CFCDRN CC(C)Cc1cc(C(=O)N(C)c2ccc(N)cc2)cc(=O)[nH]1 ZINC000877076941 643138489 /nfs/dbraw/zinc/13/84/89/643138489.db2.gz XPWPUDVQRPPYSU-UHFFFAOYSA-N 0 0 299.374 2.845 20 10 CFCDRN CN(C)c1ccc(CCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877077729 643139328 /nfs/dbraw/zinc/13/93/28/643139328.db2.gz SEADEYNBNDFHEL-UHFFFAOYSA-N 0 0 297.402 2.930 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc(F)c1F ZINC000877090502 643146957 /nfs/dbraw/zinc/14/69/57/643146957.db2.gz VQVHIGASATUNNH-NSHDSACASA-N 0 0 283.318 2.862 20 10 CFCDRN CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877131635 643168799 /nfs/dbraw/zinc/16/87/99/643168799.db2.gz GKPAIQCRVOGDBG-CABZTGNLSA-N 0 0 271.307 2.575 20 10 CFCDRN Cc1cccc(NCC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877157521 643180457 /nfs/dbraw/zinc/18/04/57/643180457.db2.gz HUHPYDAWXBDSCW-UHFFFAOYSA-N 0 0 293.317 2.576 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000126371987 643184131 /nfs/dbraw/zinc/18/41/31/643184131.db2.gz LWNDYLYTSCQDHU-UHFFFAOYSA-N 0 0 275.279 2.904 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000877167105 643185695 /nfs/dbraw/zinc/18/56/95/643185695.db2.gz NCVBFAMRPFNEPS-GWCFXTLKSA-N 0 0 285.334 2.653 20 10 CFCDRN O=C(Nc1cnc2ccccc2c1)c1cccc(O)c1O ZINC000126387947 643189376 /nfs/dbraw/zinc/18/93/76/643189376.db2.gz BKMILADQBLMENV-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN O=C(NCc1cccc(Cl)c1)c1cccc(O)c1O ZINC000126384886 643189639 /nfs/dbraw/zinc/18/96/39/643189639.db2.gz XMBMWNXFYCKSDJ-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN COc1ccc(N(C)C[C@@]2(OC)CCOC2)cc1Cl ZINC000877181298 643192688 /nfs/dbraw/zinc/19/26/88/643192688.db2.gz LADIHYTZLLJXOF-AWEZNQCLSA-N 0 0 285.771 2.590 20 10 CFCDRN C[C@H](Cc1cccs1)NC(=O)c1cccc(O)c1O ZINC000126408716 643207893 /nfs/dbraw/zinc/20/78/93/643207893.db2.gz BCJZTNOFYBMFOU-SECBINFHSA-N 0 0 277.345 2.520 20 10 CFCDRN Nc1ccc(CC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC000877309706 643232352 /nfs/dbraw/zinc/23/23/52/643232352.db2.gz QHOVHUASRSGUIA-ZDUSSCGKSA-N 0 0 258.365 2.674 20 10 CFCDRN C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000877316806 643234757 /nfs/dbraw/zinc/23/47/57/643234757.db2.gz PNQFTPAQLLCAHJ-HUUCEWRRSA-N 0 0 283.318 2.718 20 10 CFCDRN COc1ccc(N(C)C[C@](C)(OC)C2CC2)cc1OC ZINC000877342155 643242676 /nfs/dbraw/zinc/24/26/76/643242676.db2.gz JYXWXCZGDKYHRC-INIZCTEOSA-N 0 0 279.380 2.955 20 10 CFCDRN CO[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC000877466278 643287349 /nfs/dbraw/zinc/28/73/49/643287349.db2.gz HELPANKKBRFVSF-VIFPVBQESA-N 0 0 299.239 2.727 20 10 CFCDRN CC(C)(NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000877489266 643304931 /nfs/dbraw/zinc/30/49/31/643304931.db2.gz MMTJFNNXMLFJQK-UHFFFAOYSA-N 0 0 298.377 2.781 20 10 CFCDRN Cc1ccc(CN2CC(O)(c3ccc(F)cc3)C2)c(O)c1 ZINC000877504800 643315922 /nfs/dbraw/zinc/31/59/22/643315922.db2.gz KYZIADKCBBGDIB-UHFFFAOYSA-N 0 0 287.334 2.543 20 10 CFCDRN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877521669 643327112 /nfs/dbraw/zinc/32/71/12/643327112.db2.gz GVTPBWOZGYLZOP-BXUZGUMPSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1nccn1CCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877526381 643329734 /nfs/dbraw/zinc/32/97/34/643329734.db2.gz BELAGCFZUAXPEG-UHFFFAOYSA-N 0 0 295.333 2.697 20 10 CFCDRN CCOC(=O)c1cc(NCc2ccc(C)cc2O)cn1C ZINC000877529319 643332378 /nfs/dbraw/zinc/33/23/78/643332378.db2.gz ZJTSGLRLPALILO-UHFFFAOYSA-N 0 0 288.347 2.828 20 10 CFCDRN CCOc1ccccc1OCC(=O)Nc1ccc(N)cc1 ZINC000022166516 643366510 /nfs/dbraw/zinc/36/65/10/643366510.db2.gz FTZKQZFHFKBIHT-UHFFFAOYSA-N 0 0 286.331 2.685 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2ccc(C)cc2O)n1 ZINC000877618924 643405514 /nfs/dbraw/zinc/40/55/14/643405514.db2.gz JDMXHGHDEKXQOG-SNVBAGLBSA-N 0 0 261.325 2.585 20 10 CFCDRN CC[C@H](COCC1CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877622158 643409559 /nfs/dbraw/zinc/40/95/59/643409559.db2.gz HLWBWMVVUGMAFQ-GFCCVEGCSA-N 0 0 285.334 2.965 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccnn1CC1CCC1)C2 ZINC000877703105 643469642 /nfs/dbraw/zinc/46/96/42/643469642.db2.gz ROYLZZRPHKHHOW-UHFFFAOYSA-N 0 0 283.375 2.905 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000877743546 643518833 /nfs/dbraw/zinc/51/88/33/643518833.db2.gz WQUUSTLDUYWTRA-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN CC1(C)N[C@H](c2ccc(O)c(O)c2)N(c2ccccc2)C1=O ZINC000877856565 643608613 /nfs/dbraw/zinc/60/86/13/643608613.db2.gz DWUONXMRNFWCGR-HNNXBMFYSA-N 0 0 298.342 2.511 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000877862833 643611197 /nfs/dbraw/zinc/61/11/97/643611197.db2.gz AXPZAHMXKLQMFE-INIZCTEOSA-N 0 0 281.359 2.915 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nocc1C ZINC000877944151 643656500 /nfs/dbraw/zinc/65/65/00/643656500.db2.gz LOJNEJYOHNWAHE-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN CN(CC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000126937227 643768106 /nfs/dbraw/zinc/76/81/06/643768106.db2.gz ZRNATUWEQFUWCW-UHFFFAOYSA-N 0 0 285.771 2.819 20 10 CFCDRN CCn1ncc(C(=O)N(C)Cc2ccccc2O)c1C1CC1 ZINC000878277109 643818698 /nfs/dbraw/zinc/81/86/98/643818698.db2.gz NUJZVIGLNZKQCJ-UHFFFAOYSA-N 0 0 299.374 2.758 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H]2C)c(OC)c1 ZINC000878295221 643825581 /nfs/dbraw/zinc/82/55/81/643825581.db2.gz XDHIJKVQYPIXFW-RYUDHWBXSA-N 0 0 265.353 2.565 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@@H]1C)CCC2 ZINC000878710059 644000713 /nfs/dbraw/zinc/00/07/13/644000713.db2.gz AXXWSKTVBXEZPI-OCCSQVGLSA-N 0 0 291.391 2.881 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@@H]1CCO[C@H]1C)CCC2 ZINC000878710058 644001005 /nfs/dbraw/zinc/00/10/05/644001005.db2.gz AXXWSKTVBXEZPI-JSGCOSHPSA-N 0 0 291.391 2.881 20 10 CFCDRN Cc1coc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000878864060 644054560 /nfs/dbraw/zinc/05/45/60/644054560.db2.gz OIHHSILNKPRMSO-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cc2c(cc1O)OCO2 ZINC000127715947 644249768 /nfs/dbraw/zinc/24/97/68/644249768.db2.gz MEUGJTXNKHVRKM-UHFFFAOYSA-N 0 0 299.326 2.692 20 10 CFCDRN COc1ccc(N2CCN(C/C=C/Cl)CC2)c(OC)c1 ZINC000879461519 644280092 /nfs/dbraw/zinc/28/00/92/644280092.db2.gz DXCONMIGONMKCJ-ZZXKWVIFSA-N 0 0 296.798 2.578 20 10 CFCDRN CCOC(=O)CN(Cc1cc(Cl)ccc1O)C1CC1 ZINC000091773069 650908215 /nfs/dbraw/zinc/90/82/15/650908215.db2.gz HULWSCGLHCOREW-UHFFFAOYSA-N 0 0 283.755 2.573 20 10 CFCDRN C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccccc1O ZINC000879647371 644361199 /nfs/dbraw/zinc/36/11/99/644361199.db2.gz BMRVOTQSXRZIKK-SNVBAGLBSA-N 0 0 275.352 2.924 20 10 CFCDRN C[C@@H](NCc1nnc(C2CC2)s1)c1ccccc1O ZINC000879649601 644362398 /nfs/dbraw/zinc/36/23/98/644362398.db2.gz XJNJYBFOKKIGPF-SECBINFHSA-N 0 0 275.377 2.972 20 10 CFCDRN CCO[C@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651387 644364307 /nfs/dbraw/zinc/36/43/07/644364307.db2.gz SYFDEQLPEPYWNY-WDEREUQCSA-N 0 0 291.351 2.724 20 10 CFCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(Cl)ccc1O ZINC000093773074 650945924 /nfs/dbraw/zinc/94/59/24/650945924.db2.gz BJXJKTBVCDRYDW-SNVBAGLBSA-N 0 0 285.771 2.818 20 10 CFCDRN Cc1cc(C[N@@H+]2CC=C[C@H]2CO)ccc1N1CCCCC1 ZINC000880493021 644735425 /nfs/dbraw/zinc/73/54/25/644735425.db2.gz XUJIIWSUJJZEJG-KRWDZBQOSA-N 0 0 286.419 2.718 20 10 CFCDRN Nc1ccc(OCc2cn([C@@H]3C=CCCC3)nn2)cc1 ZINC000881211739 644932855 /nfs/dbraw/zinc/93/28/55/644932855.db2.gz HTLPRJLUQFFSER-CQSZACIVSA-N 0 0 270.336 2.721 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440478 644975298 /nfs/dbraw/zinc/97/52/98/644975298.db2.gz CQASDTDFHBVMPT-MISXGVKJSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C)c1ccccc1O ZINC000881440702 644975499 /nfs/dbraw/zinc/97/54/99/644975499.db2.gz MBRBXNJOYKGDPP-OHUAYANFSA-N 0 0 299.374 2.659 20 10 CFCDRN c1csc(SC[C@H]2CCC3(CCOCC3)O2)n1 ZINC000882110900 645205707 /nfs/dbraw/zinc/20/57/07/645205707.db2.gz VZNMLYMTRPQMKM-SNVBAGLBSA-N 0 0 271.407 2.963 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ncnc(C)c3C)C2)cc1 ZINC000882578117 645374513 /nfs/dbraw/zinc/37/45/13/645374513.db2.gz NNIZGENYSUXIQD-AWEZNQCLSA-N 0 0 298.390 2.793 20 10 CFCDRN CN1CCc2cc([C@H]3NC(=O)c4ccccc4N3C)ccc21 ZINC000130145912 645458259 /nfs/dbraw/zinc/45/82/59/645458259.db2.gz WONHUMFCKWQOMP-KRWDZBQOSA-N 0 0 293.370 2.557 20 10 CFCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883018450 645565663 /nfs/dbraw/zinc/56/56/63/645565663.db2.gz CQSVORGSZGSTEM-SECBINFHSA-N 0 0 273.323 2.964 20 10 CFCDRN Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026964 645569292 /nfs/dbraw/zinc/56/92/92/645569292.db2.gz KYNJJTCMFMXTFY-HNNXBMFYSA-N 0 0 293.313 2.802 20 10 CFCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883075723 645593620 /nfs/dbraw/zinc/59/36/20/645593620.db2.gz KFXQHSHZYXCPBF-CQSZACIVSA-N 0 0 287.350 2.803 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883077120 645594050 /nfs/dbraw/zinc/59/40/50/645594050.db2.gz ZHTGYVFKVABIFD-CHWSQXEVSA-N 0 0 271.307 2.718 20 10 CFCDRN COCCc1ccnc(NCc2cc(F)cc(F)c2O)c1 ZINC000883117741 645611176 /nfs/dbraw/zinc/61/11/76/645611176.db2.gz HEYYNNXVEFFHMY-UHFFFAOYSA-N 0 0 294.301 2.866 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000883121459 645611953 /nfs/dbraw/zinc/61/19/53/645611953.db2.gz IHHRQHBTNCJMMZ-NSHDSACASA-N 0 0 291.297 2.936 20 10 CFCDRN Cn1cc(NCc2cc(F)cc(F)c2O)c(C2CC2)n1 ZINC000883126756 645615349 /nfs/dbraw/zinc/61/53/49/645615349.db2.gz YZPZPUPWDDTOTL-UHFFFAOYSA-N 0 0 279.290 2.893 20 10 CFCDRN CC1(C)C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883140325 645623212 /nfs/dbraw/zinc/62/32/12/645623212.db2.gz QEYKHQONZXIQFT-JTQLQIEISA-N 0 0 285.334 2.965 20 10 CFCDRN CCCC[C@@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152174 645628854 /nfs/dbraw/zinc/62/88/54/645628854.db2.gz MEJYJBDANIDVDM-AWEZNQCLSA-N 0 0 273.323 2.701 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883158724 645631252 /nfs/dbraw/zinc/63/12/52/645631252.db2.gz PYBRMSDQNMVQHX-SECBINFHSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000883161940 645632786 /nfs/dbraw/zinc/63/27/86/645632786.db2.gz FZMHPJUOPATEIJ-CABCVRRESA-N 0 0 296.361 2.777 20 10 CFCDRN COC1CC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883164904 645634281 /nfs/dbraw/zinc/63/42/81/645634281.db2.gz QJZFLQXMBHPNFQ-UHFFFAOYSA-N 0 0 271.307 2.575 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cnn2c1CCCC2 ZINC000883195541 645656547 /nfs/dbraw/zinc/65/65/47/645656547.db2.gz WRNYLBQCOZCGJE-UHFFFAOYSA-N 0 0 279.290 2.815 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000883202800 645660879 /nfs/dbraw/zinc/66/08/79/645660879.db2.gz KWBPWRSUTWJVAI-LQJRIPTKSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883245453 645693291 /nfs/dbraw/zinc/69/32/91/645693291.db2.gz LWRXTGKEOKSKTP-WDEREUQCSA-N 0 0 262.309 2.917 20 10 CFCDRN C=C/C=C\CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883268899 645711500 /nfs/dbraw/zinc/71/15/00/645711500.db2.gz VTBIJSWAUFJJLP-FOQNGQEVSA-N 0 0 275.348 2.962 20 10 CFCDRN CCOc1ccc(O)c(CNC2(c3ncccn3)CCC2)c1 ZINC000883306917 645731281 /nfs/dbraw/zinc/73/12/81/645731281.db2.gz ICXOFBHTDQELPF-UHFFFAOYSA-N 0 0 299.374 2.750 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC2(c3ncccn3)CCC2)c1 ZINC000883311446 645732429 /nfs/dbraw/zinc/73/24/29/645732429.db2.gz ADACSEBWMVNDGG-LBPRGKRZSA-N 0 0 299.374 2.921 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883369740 645775494 /nfs/dbraw/zinc/77/54/94/645775494.db2.gz XTDNQLFJKXOYOU-HIFRSBDPSA-N 0 0 283.318 2.862 20 10 CFCDRN CCc1ccc(NCc2c(O)cccc2OC)nc1 ZINC000883385868 645784442 /nfs/dbraw/zinc/78/44/42/645784442.db2.gz VAGXDVIUUXVUMI-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(F)F ZINC000883406894 645802438 /nfs/dbraw/zinc/80/24/38/645802438.db2.gz DQOZJTOSBRWKGT-ZETCQYMHSA-N 0 0 264.266 2.774 20 10 CFCDRN CCN(CC)c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000131750425 645804114 /nfs/dbraw/zinc/80/41/14/645804114.db2.gz KBRNGANBGNMGET-JXMROGBWSA-N 0 0 269.348 2.787 20 10 CFCDRN C=C/C=C\CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000883826042 645988328 /nfs/dbraw/zinc/98/83/28/645988328.db2.gz ZAHLNOFOHDYKNK-FOQNGQEVSA-N 0 0 290.363 2.893 20 10 CFCDRN CCC(CC)CC(=O)NCc1cccc(OC)c1O ZINC000133042820 646016852 /nfs/dbraw/zinc/01/68/52/646016852.db2.gz YLEQSWAEIUPPEY-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN CC1(C)C[C@]1(C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000883893977 646028074 /nfs/dbraw/zinc/02/80/74/646028074.db2.gz VQJYVLHSKLQBQC-MRXNPFEDSA-N 0 0 274.364 2.854 20 10 CFCDRN Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(N)cc1 ZINC000884009244 646094817 /nfs/dbraw/zinc/09/48/17/646094817.db2.gz QJADSAOPDQXLDO-UHFFFAOYSA-N 0 0 270.336 2.743 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)nc1 ZINC000133762579 646224613 /nfs/dbraw/zinc/22/46/13/646224613.db2.gz BRSOJGCKKQWTSQ-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000133771321 646225750 /nfs/dbraw/zinc/22/57/50/646225750.db2.gz UPRSIBVYHJYECZ-UHFFFAOYSA-N 0 0 255.317 2.560 20 10 CFCDRN O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1O ZINC000133789288 646227219 /nfs/dbraw/zinc/22/72/19/646227219.db2.gz MAUJDOYAVKLHSG-UHFFFAOYSA-N 0 0 280.327 2.732 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCC1 ZINC000134514956 646354495 /nfs/dbraw/zinc/35/44/95/646354495.db2.gz DBPCCVSUVIUYBS-UHFFFAOYSA-N 0 0 276.163 2.704 20 10 CFCDRN C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000136402433 646786995 /nfs/dbraw/zinc/78/69/95/646786995.db2.gz IRDAPLSEUSHHEW-WCBMZHEXSA-N 0 0 270.170 2.900 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1F ZINC000136462359 646809041 /nfs/dbraw/zinc/80/90/41/646809041.db2.gz WHKVUKWVLKPBRV-UHFFFAOYSA-N 0 0 294.713 2.852 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886512240 647024473 /nfs/dbraw/zinc/02/44/73/647024473.db2.gz AEIHJYPGXRKBFC-QWRGUYRKSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886517824 647025712 /nfs/dbraw/zinc/02/57/12/647025712.db2.gz SCICWLVSXVTZSR-MNOVXSKESA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886518627 647025765 /nfs/dbraw/zinc/02/57/65/647025765.db2.gz APKXIFIRYZVHTE-JTQLQIEISA-N 0 0 298.358 2.707 20 10 CFCDRN C[C@H]([NH2+]CC1CCOCC1)c1c([O-])cccc1F ZINC000886519509 647026780 /nfs/dbraw/zinc/02/67/80/647026780.db2.gz WMWGAPRZLDLDDG-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CCc1nccs1)c1c([O-])cccc1F ZINC000886519388 647026862 /nfs/dbraw/zinc/02/68/62/647026862.db2.gz UIJAOQVCPUYDHQ-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886519433 647026941 /nfs/dbraw/zinc/02/69/41/647026941.db2.gz VDRPAFFXIWHLLZ-MNOVXSKESA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1c([O-])cccc1F ZINC000886524881 647029151 /nfs/dbraw/zinc/02/91/51/647029151.db2.gz SRPNKCRJMKPLTI-LLVKDONJSA-N 0 0 275.323 2.874 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532591 647033564 /nfs/dbraw/zinc/03/35/64/647033564.db2.gz LQQHQPIFNPMGSU-PWSUYJOCSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1c([O-])cccc1F ZINC000886534854 647034377 /nfs/dbraw/zinc/03/43/77/647034377.db2.gz QCWDPUBGIKKUBC-JTQLQIEISA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534216 647034397 /nfs/dbraw/zinc/03/43/97/647034397.db2.gz DGUFMDFIAHBCGH-GRYCIOLGSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886536333 647034874 /nfs/dbraw/zinc/03/48/74/647034874.db2.gz FXZCANFBLWJLCG-OCCSQVGLSA-N 0 0 289.350 2.958 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1c([O-])cccc1F ZINC000886538278 647036430 /nfs/dbraw/zinc/03/64/30/647036430.db2.gz FOIIXYNUPJLODT-SUNKGSAMSA-N 0 0 278.371 2.665 20 10 CFCDRN CCn1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886546904 647041680 /nfs/dbraw/zinc/04/16/80/647041680.db2.gz AFGAZZWRAKBQGK-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@@H]([NH2+]CCCOC1CCOCC1)c1c([O-])cccc1F ZINC000886549410 647042956 /nfs/dbraw/zinc/04/29/56/647042956.db2.gz HQUCYCXSVOXFLD-GFCCVEGCSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1c([O-])cccc1F ZINC000886552980 647044661 /nfs/dbraw/zinc/04/46/61/647044661.db2.gz ADYKQSDEPPKWMC-GHMZBOCLSA-N 0 0 269.360 2.979 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558672 647046043 /nfs/dbraw/zinc/04/60/43/647046043.db2.gz PIIQBCAHVDRQNB-DTWKUNHWSA-N 0 0 278.331 2.624 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1c([O-])cccc1F ZINC000886560009 647047184 /nfs/dbraw/zinc/04/71/84/647047184.db2.gz LCRXHRNTWGOGQK-HWWQOWPSSA-N 0 0 295.354 2.520 20 10 CFCDRN COC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886587955 647055403 /nfs/dbraw/zinc/05/54/03/647055403.db2.gz IQPVWBUBVGZYKH-JTQLQIEISA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1c([O-])cccc1F ZINC000886591721 647056999 /nfs/dbraw/zinc/05/69/99/647056999.db2.gz AEKKSRPHNZQWMQ-CABZTGNLSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1c([O-])cccc1F ZINC000886606816 647064362 /nfs/dbraw/zinc/06/43/62/647064362.db2.gz GWBURRXMQNRNIU-LLVKDONJSA-N 0 0 289.354 2.915 20 10 CFCDRN CCn1ccnc1CN[C@@H](C)c1c(O)cccc1F ZINC000886617219 647069847 /nfs/dbraw/zinc/06/98/47/647069847.db2.gz GZGWMPFYCGQBIE-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886625449 647074410 /nfs/dbraw/zinc/07/44/10/647074410.db2.gz RMLBWKNWZCPLGF-MNOVXSKESA-N 0 0 255.333 2.855 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H](O)C(C)C ZINC000886626879 647074908 /nfs/dbraw/zinc/07/49/08/647074908.db2.gz NJGVMUXRXFIILD-GMXABZIVSA-N 0 0 269.360 2.977 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H](O)C(C)C ZINC000886626882 647075306 /nfs/dbraw/zinc/07/53/06/647075306.db2.gz NJGVMUXRXFIILD-WBIUFABUSA-N 0 0 269.360 2.977 20 10 CFCDRN CCCN1CC[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886637584 647081288 /nfs/dbraw/zinc/08/12/88/647081288.db2.gz AJIBLFCKGKZUHI-VXGBXAGGSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886642866 647083858 /nfs/dbraw/zinc/08/38/58/647083858.db2.gz CONCOGSLBQJURV-CHIMOYNISA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1c([O-])cccc1F ZINC000886644639 647085733 /nfs/dbraw/zinc/08/57/33/647085733.db2.gz HNDFHILTZKOEEY-DWERLKKQSA-N 0 0 277.339 2.605 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1c([O-])cccc1F ZINC000886649568 647088581 /nfs/dbraw/zinc/08/85/81/647088581.db2.gz DKMUIZYGLQUAOG-WCQYABFASA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799956 647143159 /nfs/dbraw/zinc/14/31/59/647143159.db2.gz ZWHINSMUTFVYAE-MFKMUULPSA-N 0 0 290.329 2.717 20 10 CFCDRN CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(F)cc1O ZINC000886803345 647145424 /nfs/dbraw/zinc/14/54/24/647145424.db2.gz HWPDYGGFCYMSQL-JQWIXIFHSA-N 0 0 295.276 2.885 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@]23C[C@H]2CCC3)cc1 ZINC000887032451 647192654 /nfs/dbraw/zinc/19/26/54/647192654.db2.gz WXTKDNHXZPVJFU-QMTHXVAHSA-N 0 0 272.308 2.521 20 10 CFCDRN CCc1cnc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000223740118 647388750 /nfs/dbraw/zinc/38/87/50/647388750.db2.gz OXFHFCGASCGIRS-JTQLQIEISA-N 0 0 276.336 2.802 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1 ZINC000887767627 647408556 /nfs/dbraw/zinc/40/85/56/647408556.db2.gz QMOCXFUJEQIBCP-UHFFFAOYSA-N 0 0 258.365 2.559 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@@]12C[C@@H]1CCCC2 ZINC000924378406 647969351 /nfs/dbraw/zinc/96/93/51/647969351.db2.gz RPJCYPQNSCZCAG-MEDUHNTESA-N 0 0 292.354 2.911 20 10 CFCDRN Cc1nonc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000924873485 648063672 /nfs/dbraw/zinc/06/36/72/648063672.db2.gz WXQPGPWEMSBNCI-LLVKDONJSA-N 0 0 286.379 2.611 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CNOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925862882 648349169 /nfs/dbraw/zinc/34/91/69/648349169.db2.gz ZEJAOCYEYUBEKN-XCBNKYQSSA-N 0 0 291.178 2.643 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCS1 ZINC000926140931 648415405 /nfs/dbraw/zinc/41/54/05/648415405.db2.gz CHYPQZVDBDWWDP-BXKDBHETSA-N 0 0 265.382 2.674 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCC1CC=CC1 ZINC000926711975 648585540 /nfs/dbraw/zinc/58/55/40/648585540.db2.gz KADAAEALDXGRIY-UHFFFAOYSA-N 0 0 274.364 2.890 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1c([O-])cccc1F ZINC000926935549 648663610 /nfs/dbraw/zinc/66/36/10/648663610.db2.gz FZBYQXMDLSLSIP-RVMXOQNASA-N 0 0 277.339 2.773 20 10 CFCDRN CCO[C@@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])CN(C)C ZINC000926958369 648670732 /nfs/dbraw/zinc/67/07/32/648670732.db2.gz GRNNWJXSBPZUJT-DZGCQCFKSA-N 0 0 298.402 2.539 20 10 CFCDRN COC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000927095522 648709499 /nfs/dbraw/zinc/70/94/99/648709499.db2.gz BSUUSZKHFCJINO-VXGBXAGGSA-N 0 0 296.367 2.870 20 10 CFCDRN 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/nfs/dbraw/zinc/78/91/69/777789169.db2.gz IQHUCUOVOSQGQQ-UHFFFAOYSA-N 0 0 286.366 2.834 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)ccc(F)c1F ZINC001233078271 777790280 /nfs/dbraw/zinc/79/02/80/777790280.db2.gz OELUJGAWOXDUGK-GFCCVEGCSA-N 0 0 297.345 2.919 20 10 CFCDRN CCOC1CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284430 777857649 /nfs/dbraw/zinc/85/76/49/777857649.db2.gz UNNMOSCCHQQRQN-UHFFFAOYSA-N 0 0 263.381 2.910 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2Cc3cncnc3C2)c1 ZINC001233284399 777864239 /nfs/dbraw/zinc/86/42/39/777864239.db2.gz SXIZTQUSMQYBLD-UHFFFAOYSA-N 0 0 283.375 2.996 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001233287905 777868859 /nfs/dbraw/zinc/86/88/59/777868859.db2.gz MSIOIYHXCGEPEO-HNNXBMFYSA-N 0 0 299.798 2.791 20 10 CFCDRN CCCOC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233289699 777869622 /nfs/dbraw/zinc/86/96/22/777869622.db2.gz IFJXFEQPCDFVGG-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1Cc2cncnc2C1 ZINC001233451908 777958024 /nfs/dbraw/zinc/95/80/24/777958024.db2.gz CZMQYQITMOTRPQ-UHFFFAOYSA-N 0 0 295.264 2.717 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)COCC ZINC001233496761 777968579 /nfs/dbraw/zinc/96/85/79/777968579.db2.gz IBOYCXNNVQKZDM-JTQLQIEISA-N 0 0 282.336 2.884 20 10 CFCDRN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)CCN2CC ZINC001233601631 778008095 /nfs/dbraw/zinc/00/80/95/778008095.db2.gz LNWCQSLFFMANOO-HNNXBMFYSA-N 0 0 277.364 2.790 20 10 CFCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccccn1 ZINC001233948833 778120414 /nfs/dbraw/zinc/12/04/14/778120414.db2.gz NMEVQCPCACOWDA-VIFPVBQESA-N 0 0 283.287 2.576 20 10 CFCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1ccco1 ZINC001233948919 778120678 /nfs/dbraw/zinc/12/06/78/778120678.db2.gz QGQCGNKXWIMYQD-MRVPVSSYSA-N 0 0 272.260 2.774 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)COC(C)(C)C ZINC001234474718 778233934 /nfs/dbraw/zinc/23/39/34/778233934.db2.gz WJIKTAXIKLXBEB-SECBINFHSA-N 0 0 282.336 2.883 20 10 CFCDRN COc1cc(Cl)cc(CN2C[C@@H](F)[C@H](F)C2)c1O ZINC000714557847 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778682036 /nfs/dbraw/zinc/68/20/36/778682036.db2.gz OUOCADBPHVMJEL-DAXSKMNVSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2ccc(F)cc21 ZINC001127019486 778682144 /nfs/dbraw/zinc/68/21/44/778682144.db2.gz OUOCADBPHVMJEL-QPJJXVBHSA-N 0 0 298.317 2.968 20 10 CFCDRN Oc1ccccc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698216251 778764501 /nfs/dbraw/zinc/76/45/01/778764501.db2.gz OGGYNAAOKNJLKB-LLVKDONJSA-N 0 0 275.270 2.545 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2ccc(N)nc2)ncn1 ZINC001236311119 778771574 /nfs/dbraw/zinc/77/15/74/778771574.db2.gz NRLNVCRPYXDDSI-UHFFFAOYSA-N 0 0 277.331 2.889 20 10 CFCDRN CC(C)N(Cc1c([O-])cc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC001236469351 778839244 /nfs/dbraw/zinc/83/92/44/778839244.db2.gz WQVNRBZZUPPCOZ-GFCCVEGCSA-N 0 0 284.350 2.633 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001231912475 778878276 /nfs/dbraw/zinc/87/82/76/778878276.db2.gz ICQQEJFHAZIIJK-RTCCRHLQSA-N 0 0 255.720 2.693 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cncc(O)c3)cc2n1C ZINC001236579588 778883088 /nfs/dbraw/zinc/88/30/88/778883088.db2.gz ALUHPGIUEKGIBV-UHFFFAOYSA-N 0 0 282.299 2.733 20 10 CFCDRN Cc1cc(Br)c(O)c(CN2CCC(=O)CC2)c1 ZINC001236664051 778906649 /nfs/dbraw/zinc/90/66/49/778906649.db2.gz RTPIUYSZNGMLFQ-UHFFFAOYSA-N 0 0 298.180 2.628 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)cc1Cl ZINC001232266633 778915657 /nfs/dbraw/zinc/91/56/57/778915657.db2.gz QOQKUJCYMWCZEI-SNVBAGLBSA-N 0 0 285.771 2.523 20 10 CFCDRN Oc1cc(O)c(CN2CCCCC23COC3)cc1Cl ZINC001232269350 778916014 /nfs/dbraw/zinc/91/60/14/778916014.db2.gz ZXGDPDFKXWAXLG-UHFFFAOYSA-N 0 0 283.755 2.506 20 10 CFCDRN CCc1ccc(C[N@H+](C)[C@H](C(=O)OC)C(C)C)c(O)c1 ZINC001236793409 778939307 /nfs/dbraw/zinc/93/93/07/778939307.db2.gz WEOJHLYIBYITIR-HNNXBMFYSA-N 0 0 279.380 2.584 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001236793021 778939833 /nfs/dbraw/zinc/93/98/33/778939833.db2.gz VHJOQIASCDPTSG-HNNXBMFYSA-N 0 0 297.345 2.955 20 10 CFCDRN COc1cc(O)c(CN2CCSCC2)c(Cl)c1 ZINC001236795093 778941143 /nfs/dbraw/zinc/94/11/43/778941143.db2.gz IQEVYNKLNCPQGC-UHFFFAOYSA-N 0 0 273.785 2.603 20 10 CFCDRN COC(C[N@H+](C)Cc1cc(Cl)c(Cl)cc1[O-])OC ZINC001236800027 778943623 /nfs/dbraw/zinc/94/36/23/778943623.db2.gz SBYWRYNJEAZSPI-UHFFFAOYSA-N 0 0 294.178 2.750 20 10 CFCDRN COC[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236804183 778945323 /nfs/dbraw/zinc/94/53/23/778945323.db2.gz XHBDBVRXAHJNSN-JTQLQIEISA-N 0 0 285.771 2.523 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC001236805689 778946547 /nfs/dbraw/zinc/94/65/47/778946547.db2.gz ZPXRNLCOJXVESH-NXEZZACHSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(O)c(CN2CCC[C@@H]2CF)c(Cl)c1 ZINC001236806351 778946792 /nfs/dbraw/zinc/94/67/92/778946792.db2.gz VHZDCKGJFKFUER-SECBINFHSA-N 0 0 273.735 2.988 20 10 CFCDRN CCC1(O)CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236811219 778949226 /nfs/dbraw/zinc/94/92/26/778949226.db2.gz IAQXQDLFKCXYJJ-UHFFFAOYSA-N 0 0 299.798 2.791 20 10 CFCDRN CCOc1ccc(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001237041862 778996474 /nfs/dbraw/zinc/99/64/74/778996474.db2.gz NVMDRKKTZIJLQV-UHFFFAOYSA-N 0 0 267.344 2.972 20 10 CFCDRN CCC(=O)N1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237045914 778997253 /nfs/dbraw/zinc/99/72/53/778997253.db2.gz MWNFFIZJBSAQTK-UHFFFAOYSA-N 0 0 290.407 2.570 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)c1 ZINC001237048128 778998516 /nfs/dbraw/zinc/99/85/16/778998516.db2.gz DFAMCDKWVHOVOD-SRCQZFHVSA-N 0 0 275.392 2.982 20 10 CFCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CCCCO1 ZINC001237053415 779000496 /nfs/dbraw/zinc/00/04/96/779000496.db2.gz KVELLKXQBDKQAT-UHFFFAOYSA-N 0 0 291.269 2.861 20 10 CFCDRN CO[C@@H](C)C1C[NH+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237128989 779014100 /nfs/dbraw/zinc/01/41/00/779014100.db2.gz SQBXYIIHVDISQF-QMMMGPOBSA-N 0 0 273.735 2.651 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1CC=CC1 ZINC001237118926 779016234 /nfs/dbraw/zinc/01/62/34/779016234.db2.gz BZPOEYFGXNOWCP-UHFFFAOYSA-N 0 0 259.227 2.663 20 10 CFCDRN C[C@H]1CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237119351 779017048 /nfs/dbraw/zinc/01/70/48/779017048.db2.gz FQVBGYGELRMTPA-QMMMGPOBSA-N 0 0 261.243 2.885 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)C[C@H](C)O1 ZINC001237122712 779019646 /nfs/dbraw/zinc/01/96/46/779019646.db2.gz XENVMLNVJJOOBO-DTORHVGOSA-N 0 0 273.735 2.794 20 10 CFCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237125587 779019712 /nfs/dbraw/zinc/01/97/12/779019712.db2.gz DXJUDROHYOLZRP-BDAKNGLRSA-N 0 0 273.735 2.530 20 10 CFCDRN CC1(C)CN(Cc2c(O)ccc(F)c2Cl)CCC1=O ZINC001237126730 779021685 /nfs/dbraw/zinc/02/16/85/779021685.db2.gz QDDIIAGHPAOPLZ-UHFFFAOYSA-N 0 0 285.746 2.986 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCOCC12CCC2 ZINC001237126988 779021973 /nfs/dbraw/zinc/02/19/73/779021973.db2.gz RORGBLCSHNUXNT-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCCC12COC2 ZINC001237126113 779021999 /nfs/dbraw/zinc/02/19/99/779021999.db2.gz JGUDRTQHAUERFG-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN C[C@H]1CC(=O)CCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237135651 779023812 /nfs/dbraw/zinc/02/38/12/779023812.db2.gz KICQNGVHUUWKPE-VIFPVBQESA-N 0 0 287.281 2.964 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C(C)=C/c1cccnc1 ZINC001127256451 779131548 /nfs/dbraw/zinc/13/15/48/779131548.db2.gz YWUXCZSVWKNYLR-ZRDIBKRKSA-N 0 0 283.331 2.552 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001237621934 779145358 /nfs/dbraw/zinc/14/53/58/779145358.db2.gz JPJASHVAIXJDKP-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN CC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619705 779145533 /nfs/dbraw/zinc/14/55/33/779145533.db2.gz BWIJMVIPBKBVHA-UHFFFAOYSA-N 0 0 285.746 2.986 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237618000 779145872 /nfs/dbraw/zinc/14/58/72/779145872.db2.gz WOXFTTQHVHRVQJ-VXGBXAGGSA-N 0 0 271.719 2.548 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H](CO)C[C@H](F)C2)c1O ZINC001237681051 779159996 /nfs/dbraw/zinc/15/99/96/779159996.db2.gz KOMRUVIPQXFAMG-MFKMUULPSA-N 0 0 287.762 2.506 20 10 CFCDRN Cc1ncc2n1CCN(Cc1cc(Cl)cc(C)c1O)C2 ZINC001237679738 779160068 /nfs/dbraw/zinc/16/00/68/779160068.db2.gz LSHIDGMMNLPHEB-UHFFFAOYSA-N 0 0 291.782 2.875 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC1(C)COC1 ZINC001237800101 779182246 /nfs/dbraw/zinc/18/22/46/779182246.db2.gz XEBGGXDFWKOLGL-UHFFFAOYSA-N 0 0 273.735 2.653 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001237807513 779184212 /nfs/dbraw/zinc/18/42/12/779184212.db2.gz KYFAAEPVMKWUOH-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001237815191 779187359 /nfs/dbraw/zinc/18/73/59/779187359.db2.gz WWKGKXGTAWJOMG-UHFFFAOYSA-N 0 0 298.789 2.712 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@@H]1F ZINC001237934229 779210262 /nfs/dbraw/zinc/21/02/62/779210262.db2.gz JHKDTOYGFFXPMR-HQJQHLMTSA-N 0 0 261.699 2.975 20 10 CFCDRN CC[N@H+]1C[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]2C1 ZINC001237940978 779211278 /nfs/dbraw/zinc/21/12/78/779211278.db2.gz FIDUKJIMSIPWGL-TXEJJXNPSA-N 0 0 298.789 2.568 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@@H]1CO ZINC001237934982 779212071 /nfs/dbraw/zinc/21/20/71/779212071.db2.gz ONBDITDSDAVCAL-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN CCC1(O)CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948735 779213842 /nfs/dbraw/zinc/21/38/42/779213842.db2.gz HOUKWNZPHKURRV-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001290735951 779253855 /nfs/dbraw/zinc/25/38/55/779253855.db2.gz YWBLKZUPOVSSPO-UHFFFAOYSA-N 0 0 277.364 2.822 20 10 CFCDRN O=c1cc(-c2cnoc2)ccn1Cc1ccccc1 ZINC001239188157 779466741 /nfs/dbraw/zinc/46/67/41/779466741.db2.gz FOURBLROSYEWBZ-UHFFFAOYSA-N 0 0 252.273 2.552 20 10 CFCDRN COc1ncc(-c2cccc3c2ccn3C)cc1N ZINC001239638494 779681373 /nfs/dbraw/zinc/68/13/73/779681373.db2.gz RSXLQFSYXWWXSW-UHFFFAOYSA-N 0 0 253.305 2.831 20 10 CFCDRN CO[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H]1F ZINC001237682138 779706719 /nfs/dbraw/zinc/70/67/19/779706719.db2.gz ZJNGSZXPHLBRRW-NWDGAFQWSA-N 0 0 273.735 2.523 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798217 779718144 /nfs/dbraw/zinc/71/81/44/779718144.db2.gz AUUSVJCHISJRBK-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN CO[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000383776040 779868564 /nfs/dbraw/zinc/86/85/64/779868564.db2.gz VXVKCRLDKFWEIW-INIZCTEOSA-N 0 0 285.343 2.738 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnccc2C)nn1 ZINC001239974289 779891331 /nfs/dbraw/zinc/89/13/31/779891331.db2.gz NCLBCHYUGPFKOS-UHFFFAOYSA-N 0 0 265.320 2.556 20 10 CFCDRN Cc1ccncc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001239975612 779892489 /nfs/dbraw/zinc/89/24/89/779892489.db2.gz LMRAWVULXOBHFW-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cc1ccncc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001239975611 779892593 /nfs/dbraw/zinc/89/25/93/779892593.db2.gz LMPQZNYRIFREOV-UHFFFAOYSA-N 0 0 268.238 2.781 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnn(C2CCOCC2)c1 ZINC001240092929 779941416 /nfs/dbraw/zinc/94/14/16/779941416.db2.gz RLXGZNDEIYWKDX-UHFFFAOYSA-N 0 0 282.347 2.788 20 10 CFCDRN Fc1ccc(-c2noc(-c3csnn3)n2)c(F)c1 ZINC001212362395 779994502 /nfs/dbraw/zinc/99/45/02/779994502.db2.gz RBPMXEMTKFKNJT-UHFFFAOYSA-N 0 0 266.232 2.533 20 10 CFCDRN CC(=O)c1ccc(-c2noc(-c3csnn3)n2)c(F)c1 ZINC001212362690 779994913 /nfs/dbraw/zinc/99/49/13/779994913.db2.gz XAJZLYYWDPSJSX-UHFFFAOYSA-N 0 0 290.279 2.597 20 10 CFCDRN COc1cc(F)ccc1-c1noc(-c2nnsc2C)n1 ZINC001212405010 780095150 /nfs/dbraw/zinc/09/51/50/780095150.db2.gz DKIVGQUGXYEZSV-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN Nc1ccc(N(CCO)c2cc(Cl)ccc2N)cc1 ZINC001212435676 780220598 /nfs/dbraw/zinc/22/05/98/780220598.db2.gz JRUUGLAMWMUBHU-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC001116850497 780247030 /nfs/dbraw/zinc/24/70/30/780247030.db2.gz PLPZKCAUMCPNJZ-SFYZADRCSA-N 0 0 277.711 2.861 20 10 CFCDRN CC(=O)Nc1cncc(-c2ccc3ccn(C)c3c2)n1 ZINC001240571197 780265103 /nfs/dbraw/zinc/26/51/03/780265103.db2.gz HFCYEPYPMFYPRA-UHFFFAOYSA-N 0 0 266.304 2.594 20 10 CFCDRN CCOC(=O)Cc1ncc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574594 780266354 /nfs/dbraw/zinc/26/63/54/780266354.db2.gz SQZUFLGZHSYBEQ-UHFFFAOYSA-N 0 0 295.342 2.741 20 10 CFCDRN CC(C)n1ncc(-c2ccc3ccn(C)c3c2)cc1=O ZINC001240576719 780267710 /nfs/dbraw/zinc/26/77/10/780267710.db2.gz XVQKJKSQNJYENI-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN CC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715702221 780311664 /nfs/dbraw/zinc/31/16/64/780311664.db2.gz JZUSJOIQXYYTOH-UHFFFAOYSA-N 0 0 262.122 2.746 20 10 CFCDRN Cc1ncccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001240730588 780398327 /nfs/dbraw/zinc/39/83/27/780398327.db2.gz RPZVCUDOCZZPKC-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cc1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001240804549 780456453 /nfs/dbraw/zinc/45/64/53/780456453.db2.gz WNANRRGQAQRJAZ-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cn1ccc2cc(-c3ccn(CC4CC4)c(=O)c3)cnc21 ZINC001240845425 780471486 /nfs/dbraw/zinc/47/14/86/780471486.db2.gz BTBFPCPOEPDAPT-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN COc1ncc(-c2ccn(C)c(=O)c2)c2ccccc21 ZINC001240986823 780574554 /nfs/dbraw/zinc/57/45/54/780574554.db2.gz WSXXPHZZHBPTMV-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000922890787 780585452 /nfs/dbraw/zinc/58/54/52/780585452.db2.gz OWNCHQTYFBAWHT-CQSZACIVSA-N 0 0 295.333 2.891 20 10 CFCDRN CCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1 ZINC000700722312 780711461 /nfs/dbraw/zinc/71/14/61/780711461.db2.gz VGQIPIAWOKLQHO-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CC(C)N(CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000700766396 780722856 /nfs/dbraw/zinc/72/28/56/780722856.db2.gz XAQJXWVGCDLKRQ-UHFFFAOYSA-N 0 0 286.366 2.879 20 10 CFCDRN Cc1cc(N(C)C)ncc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001241252267 780735994 /nfs/dbraw/zinc/73/59/94/780735994.db2.gz QZOFQXYYNDSJPI-UHFFFAOYSA-N 0 0 293.370 2.975 20 10 CFCDRN O=C(/C=C/c1ccccc1F)NCc1ccccc1O ZINC000701127786 780764199 /nfs/dbraw/zinc/76/41/99/780764199.db2.gz HEEHZHRJKHCBAO-MDZDMXLPSA-N 0 0 271.291 2.861 20 10 CFCDRN Cn1cnc2c1ncnc2C1=CCN(c2ccccc2)CC1 ZINC001241339559 780793741 /nfs/dbraw/zinc/79/37/41/780793741.db2.gz ZFIPQFZVBGTABY-UHFFFAOYSA-N 0 0 291.358 2.657 20 10 CFCDRN CCc1cncc(-c2nnc(C)cc2-c2nccn2C)c1 ZINC001241370273 780824136 /nfs/dbraw/zinc/82/41/36/780824136.db2.gz SGAPMHUVMQKUCT-UHFFFAOYSA-N 0 0 279.347 2.810 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cccc3cnn(C)c32)n1 ZINC001241453329 780907052 /nfs/dbraw/zinc/90/70/52/780907052.db2.gz HIFPTCLXNQCTKE-UHFFFAOYSA-N 0 0 277.331 2.830 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001137833176 780931178 /nfs/dbraw/zinc/93/11/78/780931178.db2.gz WDZNKRZNMUKAQS-UHFFFAOYSA-N 0 0 273.307 2.795 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232531 781000838 /nfs/dbraw/zinc/00/08/38/781000838.db2.gz DLYYZTYQPSKWEI-VXFNFUGZSA-N 0 0 271.307 2.572 20 10 CFCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703287509 781006468 /nfs/dbraw/zinc/00/64/68/781006468.db2.gz XOMPNRDGHUMNEI-NSHDSACASA-N 0 0 284.350 2.633 20 10 CFCDRN [O-]c1c(C[NH2+]CCOC2CCCC2)ccc(F)c1F ZINC000703367103 781011251 /nfs/dbraw/zinc/01/12/51/781011251.db2.gz XUNNWHBFJFRAOA-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CCN1CCC([N@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703501478 781016844 /nfs/dbraw/zinc/01/68/44/781016844.db2.gz JNVPNDNWLNLNMV-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN COC1(C)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703532128 781025840 /nfs/dbraw/zinc/02/58/40/781025840.db2.gz SSRCYAYGWUGTBK-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN Cc1nc(N)ncc1-c1cc(N(C)c2ccccc2)ncn1 ZINC001241645638 781044133 /nfs/dbraw/zinc/04/41/33/781044133.db2.gz SWGYPYXSPCYZFS-UHFFFAOYSA-N 0 0 292.346 2.592 20 10 CFCDRN Nc1ccc(NC(=O)NCC[C@H]2CCSC2)cc1 ZINC000704897478 781127490 /nfs/dbraw/zinc/12/74/90/781127490.db2.gz SAXIQVMQUCTGFG-JTQLQIEISA-N 0 0 265.382 2.534 20 10 CFCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)C(F)(F)F ZINC000705485050 781140773 /nfs/dbraw/zinc/14/07/73/781140773.db2.gz VFLFPSYPMAXSNM-SECBINFHSA-N 0 0 274.286 2.516 20 10 CFCDRN Cn1ccc2c1cccc2-c1nccc2c1NC(=O)C2 ZINC001241820032 781143191 /nfs/dbraw/zinc/14/31/91/781143191.db2.gz JSLGNUUNZHTIOT-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN Cc1cn(C)nc1NCc1c(O)cccc1Br ZINC000706831693 781204921 /nfs/dbraw/zinc/20/49/21/781204921.db2.gz LLCXPCBPUNAXEE-UHFFFAOYSA-N 0 0 296.168 2.809 20 10 CFCDRN CC(C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCS1 ZINC000707262303 781240774 /nfs/dbraw/zinc/24/07/74/781240774.db2.gz IVQSNKLCXPIGPZ-CYBMUJFWSA-N 0 0 279.409 2.874 20 10 CFCDRN COC(=O)c1cc2ccc(-c3ccc(=O)[nH]c3)cc2n1C ZINC001242063005 781256138 /nfs/dbraw/zinc/25/61/38/781256138.db2.gz FPJLXMIJSNPXGB-UHFFFAOYSA-N 0 0 282.299 2.733 20 10 CFCDRN CNc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001242073664 781265413 /nfs/dbraw/zinc/26/54/13/781265413.db2.gz UVRCWNWSEMZTTQ-UHFFFAOYSA-N 0 0 265.316 2.642 20 10 CFCDRN CCOC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383257 781271305 /nfs/dbraw/zinc/27/13/05/781271305.db2.gz KWWGJADZMYZFRG-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(F)(F)CC1 ZINC000708420989 781272998 /nfs/dbraw/zinc/27/29/98/781272998.db2.gz ABFQWVQTGNDGIJ-UHFFFAOYSA-N 0 0 263.234 2.902 20 10 CFCDRN CC(C)[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708400771 781273427 /nfs/dbraw/zinc/27/34/27/781273427.db2.gz PGIDBGKTBQTWQL-CQSZACIVSA-N 0 0 285.334 2.917 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000708415263 781273951 /nfs/dbraw/zinc/27/39/51/781273951.db2.gz VZGWTKIDJISNQX-AOOOYVTPSA-N 0 0 253.292 2.902 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433482 781274549 /nfs/dbraw/zinc/27/45/49/781274549.db2.gz KFPFPOHZDCJRNJ-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000709028626 781287910 /nfs/dbraw/zinc/28/79/10/781287910.db2.gz FLUHJCVRGKHBGE-ZDUSSCGKSA-N 0 0 277.368 2.548 20 10 CFCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708495841 781290909 /nfs/dbraw/zinc/29/09/09/781290909.db2.gz FYNOSVIFEDEBBR-LLVKDONJSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000708495485 781291110 /nfs/dbraw/zinc/29/11/10/781291110.db2.gz CIHYBDLPGAWNLO-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000708502271 781291507 /nfs/dbraw/zinc/29/15/07/781291507.db2.gz KXFKUZPSKYNBNQ-UHFFFAOYSA-N 0 0 263.234 2.805 20 10 CFCDRN COCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708517437 781292102 /nfs/dbraw/zinc/29/21/02/781292102.db2.gz OZIWALRUAMTGCA-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN CC(C)CCOCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708536102 781292776 /nfs/dbraw/zinc/29/27/76/781292776.db2.gz WQIHIPAQRBRONZ-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534851 781292884 /nfs/dbraw/zinc/29/28/84/781292884.db2.gz FGKQIKSAMXGCCA-LBPRGKRZSA-N 0 0 284.350 2.633 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000708556041 781293778 /nfs/dbraw/zinc/29/37/78/781293778.db2.gz RYSVYTCSUDGKLF-CABZTGNLSA-N 0 0 253.292 2.806 20 10 CFCDRN COCCn1ccc(-c2cnccc2C(F)(F)F)cc1=O ZINC001242278761 781361956 /nfs/dbraw/zinc/36/19/56/781361956.db2.gz RAKAGBRIYWIYTK-UHFFFAOYSA-N 0 0 298.264 2.576 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711831625 781474418 /nfs/dbraw/zinc/47/44/18/781474418.db2.gz HEJMRYWVOXTGFU-DZGCQCFKSA-N 0 0 279.355 2.826 20 10 CFCDRN O=c1cc(-c2c[nH]c(=O)c(F)c2)ccn1Cc1ccccc1 ZINC001242617904 781647902 /nfs/dbraw/zinc/64/79/02/781647902.db2.gz GYXJNUVOBNMYAB-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN Cn1ccc2c1ncnc2-c1ccccc1-n1cccn1 ZINC001242708446 781709886 /nfs/dbraw/zinc/70/98/86/781709886.db2.gz BPOTXBUYJFJDQJ-UHFFFAOYSA-N 0 0 275.315 2.821 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2ccncn2)cn1 ZINC001242918495 781840588 /nfs/dbraw/zinc/84/05/88/781840588.db2.gz UHWPDTSEDDLEDC-UHFFFAOYSA-N 0 0 250.305 2.946 20 10 CFCDRN COCc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001242957549 781874786 /nfs/dbraw/zinc/87/47/86/781874786.db2.gz XDVMBVQUMMVAPO-UHFFFAOYSA-N 0 0 298.264 2.619 20 10 CFCDRN C/C(=C(\F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000821768667 781884959 /nfs/dbraw/zinc/88/49/59/781884959.db2.gz YFJLOQSTUWOZMC-JLBUCRLOSA-N 0 0 293.338 2.799 20 10 CFCDRN CCCCO[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000068541550 346858809 /nfs/dbraw/zinc/85/88/09/346858809.db2.gz ZYLKBJUXPUYNAF-GFCCVEGCSA-N 0 0 265.353 2.556 20 10 CFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000070793202 346914464 /nfs/dbraw/zinc/91/44/64/346914464.db2.gz JRKKHMVFLXOWFF-UHFFFAOYSA-N 0 0 283.375 2.555 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CSC(C)(C)C)cc1 ZINC000028020654 346274083 /nfs/dbraw/zinc/27/40/83/346274083.db2.gz YAXHVDWMRNQTEF-UHFFFAOYSA-N 0 0 280.437 2.901 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccco2)cc1 ZINC000031726357 346296220 /nfs/dbraw/zinc/29/62/20/346296220.db2.gz IBWAQBGPIQWEAX-UHFFFAOYSA-N 0 0 287.363 2.687 20 10 CFCDRN CC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058731530 346649095 /nfs/dbraw/zinc/64/90/95/346649095.db2.gz QTZFTMSVKZNSND-JTQLQIEISA-N 0 0 252.333 2.554 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC(C)(C)C)cc1F ZINC000058730568 346649329 /nfs/dbraw/zinc/64/93/29/346649329.db2.gz HROGBHQHHPHSCX-UHFFFAOYSA-N 0 0 266.360 2.944 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(C)cn1 ZINC000060349196 346662947 /nfs/dbraw/zinc/66/29/47/346662947.db2.gz XLMDXOKRHOWVLT-UHFFFAOYSA-N 0 0 285.347 2.543 20 10 CFCDRN CCC(C)(C)NC(=O)[C@@H](C)Sc1nccs1 ZINC000064661785 346724217 /nfs/dbraw/zinc/72/42/17/346724217.db2.gz YLZIXJPTOVPZRH-MRVPVSSYSA-N 0 0 258.412 2.929 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)OCC ZINC000066096327 346747811 /nfs/dbraw/zinc/74/78/11/346747811.db2.gz SRGYYIZWIIBOMR-LBPRGKRZSA-N 0 0 265.353 2.556 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCOCC ZINC000076966951 347162647 /nfs/dbraw/zinc/16/26/47/347162647.db2.gz FWYYLJLONXPXRO-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CN(Cc1cccs1)C(=O)CSc1nccs1 ZINC000078881012 347277975 /nfs/dbraw/zinc/27/79/75/347277975.db2.gz YITHZXXOPOWATO-UHFFFAOYSA-N 0 0 284.431 2.955 20 10 CFCDRN Cc1ccnc(N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000092925825 347651892 /nfs/dbraw/zinc/65/18/92/347651892.db2.gz KCMFUGLLGFCIRT-OAHLLOKOSA-N 0 0 299.374 2.676 20 10 CFCDRN Cc1cc(NS(=O)(=O)CCCCF)c(C)c(C)c1O ZINC000295173900 199387128 /nfs/dbraw/zinc/38/71/28/199387128.db2.gz HEPASKBWMSEOIR-UHFFFAOYSA-N 0 0 289.372 2.809 20 10 CFCDRN CC/C(C)=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295752201 199648414 /nfs/dbraw/zinc/64/84/14/199648414.db2.gz NYLGPTVLMQAROC-PFEDMVJOSA-N 0 0 263.337 2.501 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cccn1C ZINC000136979901 283296892 /nfs/dbraw/zinc/29/68/92/283296892.db2.gz RJRQPGPBWXUMDX-UHFFFAOYSA-N 0 0 272.348 2.783 20 10 CFCDRN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294675417 199129704 /nfs/dbraw/zinc/12/97/04/199129704.db2.gz AVPWHPUPZRNRTR-SNVBAGLBSA-N 0 0 278.179 2.902 20 10 CFCDRN C[C@@H]([NH2+]C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405815 296114547 /nfs/dbraw/zinc/11/45/47/296114547.db2.gz OHYWIECZLJSHAG-SECBINFHSA-N 0 0 250.298 2.894 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273451794 296156808 /nfs/dbraw/zinc/15/68/08/296156808.db2.gz GEVXWJSGVLEDQX-GHMZBOCLSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520489 296157370 /nfs/dbraw/zinc/15/73/70/296157370.db2.gz UCEGPXDHULCEJC-GMTAPVOTSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000281197526 296159748 /nfs/dbraw/zinc/15/97/48/296159748.db2.gz RSUWFEDPVFZTNF-KOLCDFICSA-N 0 0 285.334 2.872 20 10 CFCDRN CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000295138024 284305089 /nfs/dbraw/zinc/30/50/89/284305089.db2.gz ZBMWWIFWMKOCJI-ZDUSSCGKSA-N 0 0 298.814 2.638 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)nc2)c1 ZINC000019877833 372202593 /nfs/dbraw/zinc/20/25/93/372202593.db2.gz LELGBLFYBPMZOT-JTQLQIEISA-N 0 0 274.320 2.978 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC000037323493 372664423 /nfs/dbraw/zinc/66/44/23/372664423.db2.gz VFBAMTPUIHBTBJ-NXEZZACHSA-N 0 0 297.782 2.857 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCc2cccc(F)c21 ZINC000493091995 246484875 /nfs/dbraw/zinc/48/48/75/246484875.db2.gz MLOIIGBHBACQIW-PLNGDYQASA-N 0 0 274.320 2.885 20 10 CFCDRN CCN(CC)c1ccc(CNc2nncs2)cc1 ZINC000083456773 374746913 /nfs/dbraw/zinc/74/69/13/374746913.db2.gz DQDHBSOTYBSBCK-UHFFFAOYSA-N 0 0 262.382 2.996 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C\c2cnccc2C)ccn1 ZINC000493217283 246523809 /nfs/dbraw/zinc/52/38/09/246523809.db2.gz FVLMUWZAKHPYTQ-PLNGDYQASA-N 0 0 267.332 2.770 20 10 CFCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1ccccc1F ZINC000493713695 246677266 /nfs/dbraw/zinc/67/72/66/246677266.db2.gz ACHADQCEMGCQPD-BQYQJAHWSA-N 0 0 258.296 2.840 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCOCc2ccccc21 ZINC000493842226 246722971 /nfs/dbraw/zinc/72/29/71/246722971.db2.gz YUWRSRJWOQUBRD-WAYWQWQTSA-N 0 0 286.356 2.720 20 10 CFCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC000093772823 375310050 /nfs/dbraw/zinc/31/00/50/375310050.db2.gz DEHHVDSSOFSBAP-CYBMUJFWSA-N 0 0 278.396 2.525 20 10 CFCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)nnc1C ZINC000110102496 375825267 /nfs/dbraw/zinc/82/52/67/375825267.db2.gz OCQDIPNGNZMSJN-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000117971134 376268813 /nfs/dbraw/zinc/26/88/13/376268813.db2.gz NZZYJCLXJDDGFT-PXAZEXFGSA-N 0 0 297.354 2.915 20 10 CFCDRN COc1cccc(CNc2cncc(OC(C)C)n2)c1O ZINC000123566230 376957118 /nfs/dbraw/zinc/95/71/18/376957118.db2.gz SMEVFRDNDRTRSN-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN CC(C)[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000124527510 377061389 /nfs/dbraw/zinc/06/13/89/377061389.db2.gz ZFEYAPDWCIVIQH-UHFFFAOYSA-N 0 0 268.788 2.572 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000124704481 377079626 /nfs/dbraw/zinc/07/96/26/377079626.db2.gz JNCPMDWXLOOIHV-CABZTGNLSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000124704719 377079815 /nfs/dbraw/zinc/07/98/15/377079815.db2.gz JNCPMDWXLOOIHV-SKDRFNHKSA-N 0 0 255.745 2.703 20 10 CFCDRN CCSCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125700350 377183932 /nfs/dbraw/zinc/18/39/32/377183932.db2.gz TWSRQBDEVUNRTA-UHFFFAOYSA-N 0 0 285.409 2.902 20 10 CFCDRN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000128221395 377324490 /nfs/dbraw/zinc/32/44/90/377324490.db2.gz SBNDZJAGCNCDTJ-GHMZBOCLSA-N 0 0 290.190 2.948 20 10 CFCDRN C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000127530710 377288466 /nfs/dbraw/zinc/28/84/66/377288466.db2.gz LYSNFEQSXMFSIV-STQMWFEESA-N 0 0 280.387 2.847 20 10 CFCDRN COCCCCCN(C)c1ccc(OC)cc1OC ZINC000132076542 377801075 /nfs/dbraw/zinc/80/10/75/377801075.db2.gz YMDLIEYSDBKSKO-UHFFFAOYSA-N 0 0 267.369 2.957 20 10 CFCDRN CCOC(=O)CCCCN(C)c1ccc(OC)cc1OC ZINC000132244183 377818292 /nfs/dbraw/zinc/81/82/92/377818292.db2.gz HBAXSXTVZKGWIS-UHFFFAOYSA-N 0 0 295.379 2.873 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000132768318 377875091 /nfs/dbraw/zinc/87/50/91/377875091.db2.gz UQGSFIYKHRQAEX-JSGCOSHPSA-N 0 0 267.756 2.799 20 10 CFCDRN CC[C@@]1(C)CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000135736767 378161421 /nfs/dbraw/zinc/16/14/21/378161421.db2.gz LBHPJTNBRPVUPN-INIZCTEOSA-N 0 0 295.354 2.735 20 10 CFCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000153795046 378511514 /nfs/dbraw/zinc/51/15/14/378511514.db2.gz RGMJRRVZNKJRQF-ZDUSSCGKSA-N 0 0 275.396 2.694 20 10 CFCDRN CSCCCCC(=O)N(C)Cc1ccccc1O ZINC000155012090 378608439 /nfs/dbraw/zinc/60/84/39/378608439.db2.gz HLKRMXHXJFZHQB-UHFFFAOYSA-N 0 0 267.394 2.884 20 10 CFCDRN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529644092 383740808 /nfs/dbraw/zinc/74/08/08/383740808.db2.gz MZVDHOCBIFGESZ-IINYFYTJSA-N 0 0 267.756 2.703 20 10 CFCDRN CCC(C)(C)OC1CN(Cc2cc(OC)ccc2O)C1 ZINC000529642490 383740942 /nfs/dbraw/zinc/74/09/42/383740942.db2.gz TUCLBCNHUKSROB-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN C[C@H]1C[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000335834048 379965722 /nfs/dbraw/zinc/96/57/22/379965722.db2.gz LCZAZBZRZMNBSI-NWDGAFQWSA-N 0 0 274.364 2.524 20 10 CFCDRN CCNc1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000177077617 380301673 /nfs/dbraw/zinc/30/16/73/380301673.db2.gz KVTBCSVYZYTTOV-UHFFFAOYSA-N 0 0 291.376 2.553 20 10 CFCDRN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000529670386 383745327 /nfs/dbraw/zinc/74/53/27/383745327.db2.gz TUUYXDVHZGGQBF-OCCSQVGLSA-N 0 0 253.317 2.577 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529669715 383745573 /nfs/dbraw/zinc/74/55/73/383745573.db2.gz OELJTQRNQGXBBR-QISWUMQESA-N 0 0 269.772 2.947 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccncc2)c(O)c1O ZINC000179460404 380546457 /nfs/dbraw/zinc/54/64/57/380546457.db2.gz MHUGHVIUFVOWRN-NSHDSACASA-N 0 0 286.331 2.634 20 10 CFCDRN C[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000180192196 380630305 /nfs/dbraw/zinc/63/03/05/380630305.db2.gz RNMSRQANMIGNFX-LBPRGKRZSA-N 0 0 276.163 2.656 20 10 CFCDRN CC[C@H](CSC)NC(=O)N(C)Cc1ccccc1O ZINC000179974709 380604954 /nfs/dbraw/zinc/60/49/54/380604954.db2.gz TUAOFMAWNDQOHV-GFCCVEGCSA-N 0 0 282.409 2.675 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3nc(C)ccc32)c1 ZINC000180458804 380662926 /nfs/dbraw/zinc/66/29/26/380662926.db2.gz JUEPCNPTYSWMRY-GQCTYLIASA-N 0 0 295.342 2.532 20 10 CFCDRN CC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180648144 380686417 /nfs/dbraw/zinc/68/64/17/380686417.db2.gz GZTAETDPOALQAG-WMADIVHISA-N 0 0 275.348 2.760 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181040335 380728901 /nfs/dbraw/zinc/72/89/01/380728901.db2.gz OXYBIHZPAJYUDR-FUDMEFDJSA-N 0 0 275.348 2.901 20 10 CFCDRN CSCC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181103533 380739820 /nfs/dbraw/zinc/73/98/20/380739820.db2.gz QZLCIGOHVVTKMV-ZRQQLDRUSA-N 0 0 295.404 2.711 20 10 CFCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181119106 380744128 /nfs/dbraw/zinc/74/41/28/380744128.db2.gz VLLFDGPLKKFIRG-TXBNAWBVSA-N 0 0 275.348 2.758 20 10 CFCDRN CC[C@@H](CSC)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181310658 380773353 /nfs/dbraw/zinc/77/33/53/380773353.db2.gz FUSDRPDACBKWNQ-WMADIVHISA-N 0 0 295.404 2.711 20 10 CFCDRN COC(=O)c1cnc(SCC[C@H]2CCCC2=O)s1 ZINC000295380989 380818473 /nfs/dbraw/zinc/81/84/73/380818473.db2.gz UAGIUBSMAGIKJN-MRVPVSSYSA-N 0 0 285.390 2.781 20 10 CFCDRN COC(=O)c1cnc(SCc2c(C)noc2C)s1 ZINC000295384309 380821183 /nfs/dbraw/zinc/82/11/83/380821183.db2.gz UHQFKWYPROMLPK-UHFFFAOYSA-N 0 0 284.362 2.827 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000287595175 380877242 /nfs/dbraw/zinc/87/72/42/380877242.db2.gz RTGMTVVWHYFTHT-OUJBWJOFSA-N 0 0 255.333 2.995 20 10 CFCDRN O=C(NC[C@H]1CCCCC1(F)F)c1cccc(O)c1O ZINC000295417602 380841181 /nfs/dbraw/zinc/84/11/81/380841181.db2.gz MDBOLJCUFRDYSZ-SECBINFHSA-N 0 0 285.290 2.653 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287713591 380918326 /nfs/dbraw/zinc/91/83/26/380918326.db2.gz XTJCBNRHSDCXKK-DDTOSNHZSA-N 0 0 267.344 2.997 20 10 CFCDRN FC(F)c1ccnc(CNCc2ccc3c(c2)CCO3)n1 ZINC000288417426 381011492 /nfs/dbraw/zinc/01/14/92/381011492.db2.gz JMCDAAUQTXYENZ-UHFFFAOYSA-N 0 0 291.301 2.639 20 10 CFCDRN Cc1ccc(C(=O)Nc2nccn2CC(C)C)c(O)c1O ZINC000182294470 381052287 /nfs/dbraw/zinc/05/22/87/381052287.db2.gz OAMLCQZBBXMRHJ-UHFFFAOYSA-N 0 0 289.335 2.511 20 10 CFCDRN CCC[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000182533336 381107375 /nfs/dbraw/zinc/10/73/75/381107375.db2.gz XIQRXQMRSRHCTP-LBPRGKRZSA-N 0 0 265.353 2.786 20 10 CFCDRN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nccn1C ZINC000182684049 381138264 /nfs/dbraw/zinc/13/82/64/381138264.db2.gz KZECESOINUJXMX-CQSZACIVSA-N 0 0 290.386 2.866 20 10 CFCDRN CC[C@@H](c1ccccc1O)N1CCn2c(nnc2C2CC2)C1 ZINC000368815998 381140095 /nfs/dbraw/zinc/14/00/95/381140095.db2.gz IGWSSMZPSXLUJQ-AWEZNQCLSA-N 0 0 298.390 2.828 20 10 CFCDRN COc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295926089 381160921 /nfs/dbraw/zinc/16/09/21/381160921.db2.gz JZRHLVJJVUQPML-WBVHZDCISA-N 0 0 299.370 2.711 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]n1 ZINC000183621624 381295421 /nfs/dbraw/zinc/29/54/21/381295421.db2.gz ANEPZKSBWRDJBH-ZYHUDNBSSA-N 0 0 259.353 2.706 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC=CCC1 ZINC000183445961 381273587 /nfs/dbraw/zinc/27/35/87/381273587.db2.gz ONBMVSMKQHERIL-WCQYABFASA-N 0 0 275.348 2.501 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CC2)C1 ZINC000184133961 381374667 /nfs/dbraw/zinc/37/46/67/381374667.db2.gz OALZORYVJIRRGM-HWKANZROSA-N 0 0 273.332 2.514 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]nc2C2CC2)cc1 ZINC000184203227 381384085 /nfs/dbraw/zinc/38/40/85/381384085.db2.gz OBXYLRZNZFPRMJ-UHFFFAOYSA-N 0 0 298.390 2.625 20 10 CFCDRN CCc1c(C(=O)NCc2ccc(N)cc2)[nH]c(C)c1C(C)=O ZINC000296824246 381544866 /nfs/dbraw/zinc/54/48/66/381544866.db2.gz ARXHRZNQYKLTCO-UHFFFAOYSA-N 0 0 299.374 2.600 20 10 CFCDRN CC(C)(C(=O)NCc1ccc(N)cc1)c1cccs1 ZINC000297200163 381552663 /nfs/dbraw/zinc/55/26/63/381552663.db2.gz MRCKBIHSGJSDKA-UHFFFAOYSA-N 0 0 274.389 2.924 20 10 CFCDRN CC(=O)c1cc(F)cc(Cn2cnc3c2CCCC3)c1O ZINC000296941740 381548792 /nfs/dbraw/zinc/54/87/92/381548792.db2.gz XLUUTUCSAQLITQ-UHFFFAOYSA-N 0 0 288.322 2.858 20 10 CFCDRN C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297235938 381554774 /nfs/dbraw/zinc/55/47/74/381554774.db2.gz PIUGMJPRRKXUEC-CQSZACIVSA-N 0 0 298.386 2.990 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCF)cc1 ZINC000297359790 381559116 /nfs/dbraw/zinc/55/91/16/381559116.db2.gz LKRURWNHHQXSLP-UHFFFAOYSA-N 0 0 281.375 2.644 20 10 CFCDRN CCCC[N@H+](CCc1cncn1C)Cc1ccccc1O ZINC000297665872 381569063 /nfs/dbraw/zinc/56/90/63/381569063.db2.gz OEEAGHOKNFVCRY-UHFFFAOYSA-N 0 0 287.407 2.971 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C2CC2)C2CC2)cc1 ZINC000298396191 381605686 /nfs/dbraw/zinc/60/56/86/381605686.db2.gz SISNYQPJHDILPE-UHFFFAOYSA-N 0 0 258.365 2.654 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185370224 381615242 /nfs/dbraw/zinc/61/52/42/381615242.db2.gz SUYRLOOGDOQREQ-DOMZBBRYSA-N 0 0 289.350 2.786 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O ZINC000371469081 381634455 /nfs/dbraw/zinc/63/44/55/381634455.db2.gz CYEXEZWVCCBBIA-FVQBIDKESA-N 0 0 275.392 2.946 20 10 CFCDRN CCOC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000371465879 381635030 /nfs/dbraw/zinc/63/50/30/381635030.db2.gz IWTMRIKMGQOBCR-AWEZNQCLSA-N 0 0 277.364 2.700 20 10 CFCDRN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185474945 381643716 /nfs/dbraw/zinc/64/37/16/381643716.db2.gz ZQNWVMBNPJTFMW-GIGQVBGESA-N 0 0 287.400 2.729 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(F)cc1[O-] ZINC000185512986 381655073 /nfs/dbraw/zinc/65/50/73/381655073.db2.gz QMKMWRSUCXWLRB-YMTOWFKASA-N 0 0 281.352 2.977 20 10 CFCDRN CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000185579594 381671294 /nfs/dbraw/zinc/67/12/94/381671294.db2.gz IXKCBEDRPXLRKJ-CQSZACIVSA-N 0 0 291.391 2.946 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000359908421 381671949 /nfs/dbraw/zinc/67/19/49/381671949.db2.gz XXQOIXMZXJGVJY-GFCCVEGCSA-N 0 0 287.338 2.701 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncnc1C ZINC000298679387 381708815 /nfs/dbraw/zinc/70/88/15/381708815.db2.gz ABKYRULVQZRFQZ-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(F)cc1[O-] ZINC000185608792 381680736 /nfs/dbraw/zinc/68/07/36/381680736.db2.gz XZGKMQNPOCYBGB-JTQLQIEISA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185652209 381693892 /nfs/dbraw/zinc/69/38/92/381693892.db2.gz GNPSMLYRWIGVJW-OCCSQVGLSA-N 0 0 289.350 2.958 20 10 CFCDRN CCN(CC)c1ccc(CNc2ccc3nncn3n2)cc1 ZINC000298773664 381745012 /nfs/dbraw/zinc/74/50/12/381745012.db2.gz GNCNGLXCVOWBEE-UHFFFAOYSA-N 0 0 296.378 2.583 20 10 CFCDRN CC(C)Oc1cc(N(C)Cc2ccccc2O)ncn1 ZINC000298872964 381772035 /nfs/dbraw/zinc/77/20/35/381772035.db2.gz KGHZQZJGPVZBFS-UHFFFAOYSA-N 0 0 273.336 2.606 20 10 CFCDRN CC(C)C[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186417537 381905919 /nfs/dbraw/zinc/90/59/19/381905919.db2.gz ZVCMOASOAXCGAG-NEPJUHHUSA-N 0 0 279.380 2.827 20 10 CFCDRN Oc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000373253420 381959861 /nfs/dbraw/zinc/95/98/61/381959861.db2.gz UPZFOAFBHVECLS-CYBMUJFWSA-N 0 0 279.355 2.780 20 10 CFCDRN CCC1(C(=O)NCc2ccc3c(c2)CCN3C)CCC1 ZINC000373483248 382014684 /nfs/dbraw/zinc/01/46/84/382014684.db2.gz KHNGZLQUJDLWHS-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000375235655 382073034 /nfs/dbraw/zinc/07/30/34/382073034.db2.gz BEVPYIGQSNYFJJ-ZDUSSCGKSA-N 0 0 291.391 2.792 20 10 CFCDRN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000375243349 382073477 /nfs/dbraw/zinc/07/34/77/382073477.db2.gz XIMYGELXAAEYRQ-QGZVFWFLSA-N 0 0 287.334 2.971 20 10 CFCDRN Oc1ccc(F)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375353868 382081389 /nfs/dbraw/zinc/08/13/89/382081389.db2.gz QYNNVCMMIVLMJL-GFCCVEGCSA-N 0 0 261.300 2.592 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1CC1 ZINC000293579286 382184290 /nfs/dbraw/zinc/18/42/90/382184290.db2.gz JPKAHEQXVDKLFX-MWLCHTKSSA-N 0 0 298.789 2.900 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)co1 ZINC000187343501 382159591 /nfs/dbraw/zinc/15/95/91/382159591.db2.gz JRGHZBZKUGIMRG-UHFFFAOYSA-N 0 0 272.348 2.926 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000293615794 382197041 /nfs/dbraw/zinc/19/70/41/382197041.db2.gz KIVVFWUSJBSEQB-LBPRGKRZSA-N 0 0 255.745 2.560 20 10 CFCDRN CC[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293630740 382205398 /nfs/dbraw/zinc/20/53/98/382205398.db2.gz NEHREWGIFCDJID-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000377234823 382237324 /nfs/dbraw/zinc/23/73/24/382237324.db2.gz AYBDPJLBFWBIRF-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293658877 382220737 /nfs/dbraw/zinc/22/07/37/382220737.db2.gz PIJJNNKEXATHHW-IUCAKERBSA-N 0 0 275.751 2.681 20 10 CFCDRN COc1ncc(Cl)c(NCc2ccc(N(C)C)cc2)n1 ZINC000301685212 382187266 /nfs/dbraw/zinc/18/72/66/382187266.db2.gz LGQLVRNFUXVZMS-UHFFFAOYSA-N 0 0 292.770 2.817 20 10 CFCDRN Cc1cc(CN2CCOC[C@@H]2CC(F)F)ccc1N(C)C ZINC000293592895 382187845 /nfs/dbraw/zinc/18/78/45/382187845.db2.gz OJWPZMYTCBUEDP-AWEZNQCLSA-N 0 0 298.377 2.917 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000293782997 382276799 /nfs/dbraw/zinc/27/67/99/382276799.db2.gz BYFWOBOZDUYMRA-UHFFFAOYSA-N 0 0 271.719 2.621 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)NCC3CC3)C2)cc1 ZINC000363874784 382249653 /nfs/dbraw/zinc/24/96/53/382249653.db2.gz JBBLDNKPXGDVPU-UHFFFAOYSA-N 0 0 285.391 2.571 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000293721301 382249681 /nfs/dbraw/zinc/24/96/81/382249681.db2.gz VPGBOXKJHPJFLX-SNVBAGLBSA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000187697792 382251141 /nfs/dbraw/zinc/25/11/41/382251141.db2.gz HIJJOOQSWMZQIC-DGCLKSJQSA-N 0 0 277.364 2.583 20 10 CFCDRN C[C@@H]1CCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000187697833 382251901 /nfs/dbraw/zinc/25/19/01/382251901.db2.gz HIJJOOQSWMZQIC-YPMHNXCESA-N 0 0 277.364 2.583 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000293725787 382253010 /nfs/dbraw/zinc/25/30/10/382253010.db2.gz OBLBWIFVDLTQGF-DZGCQCFKSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccccn1 ZINC000377333761 382253994 /nfs/dbraw/zinc/25/39/94/382253994.db2.gz GQGYBUGYQDUFPZ-UHFFFAOYSA-N 0 0 294.314 2.717 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[nH]n1 ZINC000187798969 382271332 /nfs/dbraw/zinc/27/13/32/382271332.db2.gz ZAADEQUCFNUQDC-WPRPVWTQSA-N 0 0 295.333 2.984 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000293774091 382274355 /nfs/dbraw/zinc/27/43/55/382274355.db2.gz SLAAPKDJNJMFTK-PELKAZGASA-N 0 0 271.307 2.746 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC(F)(F)C2)c1 ZINC000293857225 382309678 /nfs/dbraw/zinc/30/96/78/382309678.db2.gz XQODRHMFHXJFTD-SECBINFHSA-N 0 0 299.317 2.875 20 10 CFCDRN CC[C@H](C)CC(=O)NCc1ccc2c(c1)CCN2C ZINC000364507898 382320750 /nfs/dbraw/zinc/32/07/50/382320750.db2.gz JHKFPGGAFKGQBF-LBPRGKRZSA-N 0 0 260.381 2.731 20 10 CFCDRN COc1ccc(N(C[C@H](O)CSC)C(C)C)cc1F ZINC000188047198 382333952 /nfs/dbraw/zinc/33/39/52/382333952.db2.gz AFYVFERTTNFUQO-LBPRGKRZSA-N 0 0 287.400 2.773 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293914088 382334761 /nfs/dbraw/zinc/33/47/61/382334761.db2.gz GEIVPDDDIHQZOM-JTQLQIEISA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1CN(Cc2ccccc2O)c2ccccc2C(=O)N1 ZINC000378127726 382402892 /nfs/dbraw/zinc/40/28/92/382402892.db2.gz LVQNWLXMYHZMLA-GFCCVEGCSA-N 0 0 282.343 2.531 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000294076883 382407082 /nfs/dbraw/zinc/40/70/82/382407082.db2.gz QUXAKEHHBIYWAK-HNNXBMFYSA-N 0 0 263.381 2.948 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000365558262 382412165 /nfs/dbraw/zinc/41/21/65/382412165.db2.gz CIQPJJAVJUPEOK-VIFPVBQESA-N 0 0 285.746 2.653 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000378182306 382414445 /nfs/dbraw/zinc/41/44/45/382414445.db2.gz KBEDKMLMGLAHSV-CYBMUJFWSA-N 0 0 296.374 2.519 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378499551 382474117 /nfs/dbraw/zinc/47/41/17/382474117.db2.gz UIRRXSDFLAKPSO-NILFDRSVSA-N 0 0 279.355 2.777 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188818553 382483693 /nfs/dbraw/zinc/48/36/93/382483693.db2.gz HYRPBLLYEVYXMC-KWQFWETISA-N 0 0 290.190 2.950 20 10 CFCDRN CC/C(C)=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000294471098 382514311 /nfs/dbraw/zinc/51/43/11/382514311.db2.gz VBUCIDGCKOGROB-BUHFOSPRSA-N 0 0 288.391 2.700 20 10 CFCDRN CN1CCc2cc(CNC(=O)[C@@H]3CCC(F)(F)C3)ccc21 ZINC000366475222 382515496 /nfs/dbraw/zinc/51/54/96/382515496.db2.gz MUEYRQZATITGEC-CYBMUJFWSA-N 0 0 294.345 2.731 20 10 CFCDRN COc1ccc(CNCc2nnc(C(C)C)[nH]2)cc1C ZINC000294903988 382542847 /nfs/dbraw/zinc/54/28/47/382542847.db2.gz XKWFXUXSLJPIFF-UHFFFAOYSA-N 0 0 274.368 2.535 20 10 CFCDRN Cc1cccc(CN2C[C@H](CO)Cc3ccccc32)c1O ZINC000367798188 382587919 /nfs/dbraw/zinc/58/79/19/382587919.db2.gz OYFQMGVRZDDAJI-CQSZACIVSA-N 0 0 283.371 2.872 20 10 CFCDRN COC(=O)c1cnc(SCOCC(F)(F)F)s1 ZINC000295261828 382602329 /nfs/dbraw/zinc/60/23/29/382602329.db2.gz IQXODLKPYNJIJM-UHFFFAOYSA-N 0 0 287.284 2.558 20 10 CFCDRN COC(=O)c1cnc(SCc2ncc(C)o2)s1 ZINC000295333803 382619934 /nfs/dbraw/zinc/61/99/34/382619934.db2.gz PFEPGKJACDLGAH-UHFFFAOYSA-N 0 0 270.335 2.518 20 10 CFCDRN CC[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190708078 382678636 /nfs/dbraw/zinc/67/86/36/382678636.db2.gz XNZBEHBSLFVKMB-NSHDSACASA-N 0 0 266.360 2.944 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2cccnc2)s1 ZINC000255291480 383479158 /nfs/dbraw/zinc/47/91/58/383479158.db2.gz LDGVQDMZKUOZOT-WAYWQWQTSA-N 0 0 259.334 2.523 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528853594 383662497 /nfs/dbraw/zinc/66/24/97/383662497.db2.gz HIXIWSKOSRCVQW-QWHCGFSZSA-N 0 0 273.357 2.874 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CC1 ZINC000266380719 384162361 /nfs/dbraw/zinc/16/23/61/384162361.db2.gz WZFAZNPNTQNJGQ-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](O)C1 ZINC000266974542 384272777 /nfs/dbraw/zinc/27/27/77/384272777.db2.gz XPCGIEHOMLSMQE-OAHLLOKOSA-N 0 0 298.386 2.609 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C ZINC000267693053 384444349 /nfs/dbraw/zinc/44/43/49/384444349.db2.gz IDFLRXYKZJWTSS-GJZGRUSLSA-N 0 0 299.418 2.860 20 10 CFCDRN Cn1cncc1COc1ccc(N2CCCC2)cc1 ZINC000267742122 384454044 /nfs/dbraw/zinc/45/40/44/384454044.db2.gz GEZFTDVOKIGEBX-UHFFFAOYSA-N 0 0 257.337 2.599 20 10 CFCDRN CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000268075515 384524683 /nfs/dbraw/zinc/52/46/83/384524683.db2.gz AACSHDGMYFLNIP-JKSUJKDBSA-N 0 0 290.407 2.669 20 10 CFCDRN CCOc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000268813752 384666134 /nfs/dbraw/zinc/66/61/34/384666134.db2.gz FMLUCXKWYHIGKF-CYBMUJFWSA-N 0 0 287.363 2.681 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1F ZINC000269347035 384750226 /nfs/dbraw/zinc/75/02/26/384750226.db2.gz INSJIHRUWJFWCQ-HNNXBMFYSA-N 0 0 294.414 2.876 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn[nH]c1 ZINC000270165793 385000289 /nfs/dbraw/zinc/00/02/89/385000289.db2.gz GPILJTGVQFETGG-ZETCQYMHSA-N 0 0 296.714 2.528 20 10 CFCDRN CCOc1ccc(O)c(CN(CC(=O)OC)[C@H](C)CC)c1 ZINC000281333465 385189411 /nfs/dbraw/zinc/18/94/11/385189411.db2.gz SCMLTZQDJUEMRC-GFCCVEGCSA-N 0 0 295.379 2.564 20 10 CFCDRN COC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271031120 385310685 /nfs/dbraw/zinc/31/06/85/385310685.db2.gz GTMLXVQMLBWCSX-UHFFFAOYSA-N 0 0 266.360 2.503 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000271751029 385390318 /nfs/dbraw/zinc/39/03/18/385390318.db2.gz VIGGXKVFJCYMGW-DGCLKSJQSA-N 0 0 289.297 2.588 20 10 CFCDRN Oc1ccccc1CNc1cc(N2CCCCC2)ncn1 ZINC000271587726 385386600 /nfs/dbraw/zinc/38/66/00/385386600.db2.gz FRWLPDHFEULDRW-UHFFFAOYSA-N 0 0 284.363 2.785 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NOC2CCCC2)cc1 ZINC000271675304 385387977 /nfs/dbraw/zinc/38/79/77/385387977.db2.gz OBDABHNOCHDCFA-UHFFFAOYSA-N 0 0 291.395 2.768 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[NH+](C2CCC2)CC1 ZINC000271802357 385392336 /nfs/dbraw/zinc/39/23/36/385392336.db2.gz LASRUKZEORPUQT-UHFFFAOYSA-N 0 0 280.799 2.716 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000271781981 385392446 /nfs/dbraw/zinc/39/24/46/385392446.db2.gz DXEIAEUAJPDCIF-AWEZNQCLSA-N 0 0 281.739 2.636 20 10 CFCDRN CCn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000271794056 385392957 /nfs/dbraw/zinc/39/29/57/385392957.db2.gz HMCZNYSIPWKFLM-UHFFFAOYSA-N 0 0 265.744 2.552 20 10 CFCDRN Cc1ccc(O)c(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282915613 385410475 /nfs/dbraw/zinc/41/04/75/385410475.db2.gz GVQFLSFRLCKWJS-CQSZACIVSA-N 0 0 271.364 2.601 20 10 CFCDRN CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272331313 385512496 /nfs/dbraw/zinc/51/24/96/385512496.db2.gz WNBPFGUNIPOXDJ-LBPRGKRZSA-N 0 0 295.354 2.695 20 10 CFCDRN CC(C)c1ccoc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000285225241 385552970 /nfs/dbraw/zinc/55/29/70/385552970.db2.gz KGLLOZFOWLKKQE-UHFFFAOYSA-N 0 0 289.331 2.787 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1ccc(F)cc1[O-] ZINC000285541633 385556056 /nfs/dbraw/zinc/55/60/56/385556056.db2.gz CDPHVHVLLBRQBY-LJWDBELGSA-N 0 0 287.400 2.684 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(F)cc1[O-] ZINC000286096252 385560098 /nfs/dbraw/zinc/56/00/98/385560098.db2.gz MZWVWYJPFSVIBN-SMDDNHRTSA-N 0 0 277.343 2.857 20 10 CFCDRN CC[C@H]([NH2+]CC1(C)COC1)c1ccc(F)cc1[O-] ZINC000286193088 385569584 /nfs/dbraw/zinc/56/95/84/385569584.db2.gz RIVVPEASMZEGGU-LBPRGKRZSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379986 385680965 /nfs/dbraw/zinc/68/09/65/385680965.db2.gz BYRHKMORYGLKGQ-AAEUAGOBSA-N 0 0 294.351 2.910 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C)c1 ZINC000273412755 385681060 /nfs/dbraw/zinc/68/10/60/385681060.db2.gz QAPVGTBKLAQEMX-SNVBAGLBSA-N 0 0 265.353 2.876 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CSC)c1 ZINC000273467023 385684512 /nfs/dbraw/zinc/68/45/12/385684512.db2.gz DWSIFGUAJKPBJU-VHSXEESVSA-N 0 0 283.393 2.581 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](OC)C(C)C)c1 ZINC000273550386 385688230 /nfs/dbraw/zinc/68/82/30/385688230.db2.gz FSZSGXLBIFSNNG-XHDPSFHLSA-N 0 0 295.379 2.500 20 10 CFCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccccc1O ZINC000286756661 385704131 /nfs/dbraw/zinc/70/41/31/385704131.db2.gz MDDLCPUPLYMOCC-UHFFFAOYSA-N 0 0 258.321 2.774 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3ccsc3C2)c(O)c1O ZINC000273068686 385669820 /nfs/dbraw/zinc/66/98/20/385669820.db2.gz ZQLANCARZZLHJK-UHFFFAOYSA-N 0 0 289.356 2.666 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCS2)cc1 ZINC000273014589 385670369 /nfs/dbraw/zinc/67/03/69/385670369.db2.gz VUUGMAHMUXZDSZ-AWEZNQCLSA-N 0 0 278.421 2.655 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc(C)s2)c1 ZINC000274247171 385748429 /nfs/dbraw/zinc/74/84/29/385748429.db2.gz RSLZCOVXKCKGTL-IUCAKERBSA-N 0 0 293.392 2.973 20 10 CFCDRN C[C@H]([NH2+]CC1=CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000287183085 385798213 /nfs/dbraw/zinc/79/82/13/385798213.db2.gz VIIKRFNAXUIKEK-VIFPVBQESA-N 0 0 269.291 2.668 20 10 CFCDRN CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000274592676 385829020 /nfs/dbraw/zinc/82/90/20/385829020.db2.gz KEJMQZZMQAYMTP-UHFFFAOYSA-N 0 0 299.422 2.598 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(F)cc1[O-] ZINC000287175194 385796201 /nfs/dbraw/zinc/79/62/01/385796201.db2.gz UVZUROFFMBKHAT-GXFFZTMASA-N 0 0 254.349 2.522 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000275999381 385980994 /nfs/dbraw/zinc/98/09/94/385980994.db2.gz AGNRHILLDIZFRY-BFVZDQMLSA-N 0 0 296.361 2.804 20 10 CFCDRN CCN(CC1CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372452606 393449281 /nfs/dbraw/zinc/44/92/81/393449281.db2.gz CAAAZPCYKRXRAI-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN CN(Cc1cn2c(n1)CCCC2)Cc1cccc(F)c1O ZINC000373887462 393475429 /nfs/dbraw/zinc/47/54/29/393475429.db2.gz ZDMRVQNNXYZAIT-UHFFFAOYSA-N 0 0 289.354 2.696 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(F)F ZINC000684451743 542810988 /nfs/dbraw/zinc/81/09/88/542810988.db2.gz HTIREFOINILRNZ-UHFFFAOYSA-N 0 0 284.306 2.523 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)c3ccon3)cc2)CC1 ZINC000108295794 393874012 /nfs/dbraw/zinc/87/40/12/393874012.db2.gz JJQJJPZFORZNEB-UHFFFAOYSA-N 0 0 299.374 2.841 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)N(C)C)cc2)CC1 ZINC000108296187 393874365 /nfs/dbraw/zinc/87/43/65/393874365.db2.gz FPRLZNIUSKGFHJ-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CS[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000119088100 393913814 /nfs/dbraw/zinc/91/38/14/393913814.db2.gz BHVGRLSOERKEHJ-GFCCVEGCSA-N 0 0 295.452 2.646 20 10 CFCDRN CCOC[C@H](O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000121195993 393951990 /nfs/dbraw/zinc/95/19/90/393951990.db2.gz VNMUKHXPLXUVGJ-XJKSGUPXSA-N 0 0 293.407 2.698 20 10 CFCDRN Cc1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000121274344 393953016 /nfs/dbraw/zinc/95/30/16/393953016.db2.gz IUCNXZMPFJPXKH-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN CO[C@@H](C)CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348635957 393955575 /nfs/dbraw/zinc/95/55/75/393955575.db2.gz PFFOBMXGARBRNZ-LBPRGKRZSA-N 0 0 288.391 2.918 20 10 CFCDRN Cc1ncoc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348660093 393955931 /nfs/dbraw/zinc/95/59/31/393955931.db2.gz KPQCSOXVEUPBRH-UHFFFAOYSA-N 0 0 283.331 2.713 20 10 CFCDRN Cc1cc(O)c(CN(C)[C@H](C)C(=O)OC(C)C)cc1C ZINC000121534295 393956520 /nfs/dbraw/zinc/95/65/20/393956520.db2.gz FCAITWSZSAPLLL-CYBMUJFWSA-N 0 0 279.380 2.781 20 10 CFCDRN COc1ccc(N(C)Cc2cncn2C)cc1Cl ZINC000121867209 393961141 /nfs/dbraw/zinc/96/11/41/393961141.db2.gz LFNVCKHAKDPQBW-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN CCc1ccsc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122494445 393969743 /nfs/dbraw/zinc/96/97/43/393969743.db2.gz QCSQCCCISFITIA-UHFFFAOYSA-N 0 0 291.372 2.694 20 10 CFCDRN Cc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000122773028 393971242 /nfs/dbraw/zinc/97/12/42/393971242.db2.gz ACBISPZNGILMCW-UHFFFAOYSA-N 0 0 297.402 2.657 20 10 CFCDRN Cc1c(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)cnn1C ZINC000270241371 394011637 /nfs/dbraw/zinc/01/16/37/394011637.db2.gz SFWQSNRZIVWFOF-BCPZQOPPSA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000492534413 394070315 /nfs/dbraw/zinc/07/03/15/394070315.db2.gz MQBHCGRPXIGQBE-BQYQJAHWSA-N 0 0 297.314 2.974 20 10 CFCDRN COc1ncccc1N(C)C(=O)/C=C\c1scnc1C ZINC000492665100 394074357 /nfs/dbraw/zinc/07/43/57/394074357.db2.gz ZIDBIEUKSAUICP-SREVYHEPSA-N 0 0 289.360 2.531 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CCc2ccc(F)cc21 ZINC000492943909 394104036 /nfs/dbraw/zinc/10/40/36/394104036.db2.gz XUNHTTJDPWAUAF-RJRFIUFISA-N 0 0 284.290 2.529 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC(F)(F)C1 ZINC000281907588 394091908 /nfs/dbraw/zinc/09/19/08/394091908.db2.gz AQILEGHRVZSFOP-SNVBAGLBSA-N 0 0 285.290 2.540 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1ccc(F)cc1 ZINC000493117805 394153698 /nfs/dbraw/zinc/15/36/98/394153698.db2.gz DHTPEFNHYCGFAD-SREVYHEPSA-N 0 0 262.309 2.958 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cncs2)c2ccccc2O1 ZINC000493162271 394165220 /nfs/dbraw/zinc/16/52/20/394165220.db2.gz STBNVUJBVMMEBA-XUIVZRPNSA-N 0 0 286.356 2.970 20 10 CFCDRN CC[C@@H]([NH2+]CCCNC(C)=O)c1cccc(Cl)c1[O-] ZINC000287704069 394208348 /nfs/dbraw/zinc/20/83/48/394208348.db2.gz NTQLBTYQWSKZOK-CYBMUJFWSA-N 0 0 284.787 2.613 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1[O-] ZINC000287700122 394208915 /nfs/dbraw/zinc/20/89/15/394208915.db2.gz NOQBFXPATOUZDZ-ZWNOBZJWSA-N 0 0 296.798 2.707 20 10 CFCDRN CC/C=C(\C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000298979092 134854799 /nfs/dbraw/zinc/85/47/99/134854799.db2.gz JGDAQKSUMDPVPL-LHHJGKSTSA-N 0 0 288.391 2.700 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(C)cn2)s1 ZINC000493835834 394327079 /nfs/dbraw/zinc/32/70/79/394327079.db2.gz KPMXROMIKFIYOQ-ALCCZGGFSA-N 0 0 273.361 2.831 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCC1 ZINC000172693769 394373674 /nfs/dbraw/zinc/37/36/74/394373674.db2.gz RKBRDPKXFAFIIQ-UHFFFAOYSA-N 0 0 285.391 2.662 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC1OCCO1 ZINC000274488014 286388908 /nfs/dbraw/zinc/38/89/08/286388908.db2.gz RWEVXXBIQFNJSQ-UHFFFAOYSA-N 0 0 277.364 2.601 20 10 CFCDRN CC[C@@H]([NH2+]CCOCCOC)c1cccc(Cl)c1[O-] ZINC000287760426 286908559 /nfs/dbraw/zinc/90/85/59/286908559.db2.gz QUIWGUBAUZXORP-CYBMUJFWSA-N 0 0 287.787 2.749 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000042828409 174889400 /nfs/dbraw/zinc/88/94/00/174889400.db2.gz IEFAWWVQMRGIGK-GXTWGEPZSA-N 0 0 260.381 2.754 20 10 CFCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000089264130 260439225 /nfs/dbraw/zinc/43/92/25/260439225.db2.gz HUVWSASIJUVKKC-ZDUSSCGKSA-N 0 0 295.452 2.693 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ncccc1C ZINC000491980761 262171350 /nfs/dbraw/zinc/17/13/50/262171350.db2.gz GRJHWGHZADSZAR-VOTSOKGWSA-N 0 0 273.361 2.831 20 10 CFCDRN COc1ccncc1CNCc1ccc(N(C)C)c(F)c1 ZINC000292768399 263134829 /nfs/dbraw/zinc/13/48/29/263134829.db2.gz SNDGIPVOBRGZRR-UHFFFAOYSA-N 0 0 289.354 2.585 20 10 CFCDRN Cc1noc(Cl)c1CCC(=O)NCc1ccccc1O ZINC000299550613 263246650 /nfs/dbraw/zinc/24/66/50/263246650.db2.gz LHJAODWHIDPPAK-UHFFFAOYSA-N 0 0 294.738 2.591 20 10 CFCDRN CCCCC1(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000934939476 649858903 /nfs/dbraw/zinc/85/89/03/649858903.db2.gz STRHQZOUWSROSV-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1O ZINC000934940131 649859338 /nfs/dbraw/zinc/85/93/38/649859338.db2.gz IRTNGBAKEZXEPL-CLLJXQQHSA-N 0 0 289.375 2.843 20 10 CFCDRN CC[C@@H](c1ccccc1O)N1CC(F)(F)C[C@@H]1CO ZINC000368037698 267139666 /nfs/dbraw/zinc/13/96/66/267139666.db2.gz NMKNGVHHGABUTC-PWSUYJOCSA-N 0 0 271.307 2.545 20 10 CFCDRN CN1CCc2cc(CNC(=O)C3(C)CCCC3)ccc21 ZINC000370428920 267317591 /nfs/dbraw/zinc/31/75/91/267317591.db2.gz UTRDMBZPQMDQLQ-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN CN1CCc2cc(CNC(=O)N[C@@H]3CC=CCC3)ccc21 ZINC000372447026 267566082 /nfs/dbraw/zinc/56/60/82/267566082.db2.gz OQOKEDAJEJJQJV-OAHLLOKOSA-N 0 0 285.391 2.587 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1[O-] ZINC000376306881 267957967 /nfs/dbraw/zinc/95/79/67/267957967.db2.gz VUUXIOKNZDECTA-NORZTCDRSA-N 0 0 295.354 2.520 20 10 CFCDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000172010547 335088363 /nfs/dbraw/zinc/08/83/63/335088363.db2.gz ZLCHGZAZPPMENR-CMDGGOBGSA-N 0 0 283.287 2.666 20 10 CFCDRN CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC000369106798 277765728 /nfs/dbraw/zinc/76/57/28/277765728.db2.gz LXZQLOULCMIVNP-FDMDGMSGSA-N 0 0 294.354 2.699 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC[C@@H]2C)c1O ZINC000362235271 278244021 /nfs/dbraw/zinc/24/40/21/278244021.db2.gz KCAPQKVHGHMZFX-JTQLQIEISA-N 0 0 297.782 2.859 20 10 CFCDRN CC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285698775 288035253 /nfs/dbraw/zinc/03/52/53/288035253.db2.gz OWOQZHYULUDWKC-AWEZNQCLSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1cccc(Cl)c1[O-] ZINC000287726559 288059925 /nfs/dbraw/zinc/05/99/25/288059925.db2.gz OXMYPSIJDPEOOW-RPRQWQAVSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000062746854 290019657 /nfs/dbraw/zinc/01/96/57/290019657.db2.gz YOOGRSSQQCBWEX-NILFDRSVSA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276981467 298926477 /nfs/dbraw/zinc/92/64/77/298926477.db2.gz VXKZUBSTIUBROA-ZJUUUORDSA-N 0 0 281.306 2.606 20 10 CFCDRN CCOc1ccc(C[NH2+]Cc2cccnc2C)c(O)c1 ZINC000527791509 330283626 /nfs/dbraw/zinc/28/36/26/330283626.db2.gz NPKJINXQNVAKHX-UHFFFAOYSA-N 0 0 272.348 2.784 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000527980634 330298159 /nfs/dbraw/zinc/29/81/59/330298159.db2.gz QRIVSSDIWICJDK-FZQKWOKYSA-N 0 0 253.317 2.749 20 10 CFCDRN COCc1cc(CNCc2c(C)c3ccccc3n2C)no1 ZINC000459513010 331285415 /nfs/dbraw/zinc/28/54/15/331285415.db2.gz ZPGNHLDCPSDTRI-UHFFFAOYSA-N 0 0 299.374 2.911 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1cccc(F)c1 ZINC000491188932 332162491 /nfs/dbraw/zinc/16/24/91/332162491.db2.gz ZKWGGZQVLUIVRO-SREVYHEPSA-N 0 0 271.295 2.682 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 ZINC000491908593 332374720 /nfs/dbraw/zinc/37/47/20/332374720.db2.gz XLBPAKQCJCLTRP-WBTMPAOCSA-N 0 0 295.342 2.694 20 10 CFCDRN Cn1ccc(/C=C\C(=O)N2CCOCc3ccccc32)c1 ZINC000492000906 332378751 /nfs/dbraw/zinc/37/87/51/332378751.db2.gz MFUHESXJKVXWCW-SREVYHEPSA-N 0 0 282.343 2.602 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnccn1)C[C@@H](C)O2 ZINC000492052584 332380711 /nfs/dbraw/zinc/38/07/11/332380711.db2.gz VNQROWCIKSLNGD-RYWCDNDXSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ncccc1F ZINC000492416323 332396471 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522183398 /nfs/dbraw/zinc/18/33/98/522183398.db2.gz DZCJZAJWQRLDPU-OCZCAGDBSA-N 0 0 290.382 2.944 20 10 CFCDRN CN(C)c1ccc(OCC(=O)NCc2cccs2)cc1 ZINC000277366700 522239880 /nfs/dbraw/zinc/23/98/80/522239880.db2.gz BKUDGURKFHXIQP-UHFFFAOYSA-N 0 0 290.388 2.509 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=C1CCC1 ZINC000087341930 522251467 /nfs/dbraw/zinc/25/14/67/522251467.db2.gz JCKNQFMDTIKEOS-UHFFFAOYSA-N 0 0 272.348 2.588 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C=CCC1 ZINC000173185234 522253249 /nfs/dbraw/zinc/25/32/49/522253249.db2.gz RVBZQJBFYDBQPB-CYBMUJFWSA-N 0 0 286.375 2.834 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC(C)C)cc2)[nH]1 ZINC000191590501 522292124 /nfs/dbraw/zinc/29/21/24/522292124.db2.gz UGSGFVMQACQUKI-UHFFFAOYSA-N 0 0 274.368 2.791 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094949410 522510176 /nfs/dbraw/zinc/51/01/76/522510176.db2.gz USBOCNLHWAUECM-MNOVXSKESA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000188203847 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/nfs/dbraw/zinc/14/32/15/574143215.db2.gz YNVYLTMZNLNEDY-GFCCVEGCSA-N 0 0 295.379 2.641 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2C=CCC2)c1 ZINC000728985448 574143484 /nfs/dbraw/zinc/14/34/84/574143484.db2.gz XTZYNLDAEDUZCX-RYUDHWBXSA-N 0 0 275.348 2.934 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1[O-] ZINC000755166647 574143439 /nfs/dbraw/zinc/14/34/39/574143439.db2.gz AMDHDGVFNMHCDT-BONVTDFDSA-N 0 0 297.782 2.905 20 10 CFCDRN COc1ccccc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000732258352 574147433 /nfs/dbraw/zinc/14/74/33/574147433.db2.gz KUCFMXXHRNHQGA-UHFFFAOYSA-N 0 0 277.345 2.735 20 10 CFCDRN CC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732264144 574147913 /nfs/dbraw/zinc/14/79/13/574147913.db2.gz AXUCTZJGEKGYKU-UHFFFAOYSA-N 0 0 276.317 2.664 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2ccccc2)C1 ZINC000732266391 574148015 /nfs/dbraw/zinc/14/80/15/574148015.db2.gz APEVWJLPZFNRQD-ZDUSSCGKSA-N 0 0 289.356 2.667 20 10 CFCDRN O=C(Nc1ccnn1Cc1ccccc1)C1=CC(=O)CS1 ZINC000732262624 574148023 /nfs/dbraw/zinc/14/80/23/574148023.db2.gz VRJCDCGVNAQXCJ-UHFFFAOYSA-N 0 0 299.355 2.951 20 10 CFCDRN CN(CCCOc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732271889 574148417 /nfs/dbraw/zinc/14/84/17/574148417.db2.gz YHVAUUQZNQXAQJ-UHFFFAOYSA-N 0 0 291.372 2.995 20 10 CFCDRN O=C(Nc1ccn(Cc2ccccc2)n1)C1=CC(=O)CS1 ZINC000732274072 574148523 /nfs/dbraw/zinc/14/85/23/574148523.db2.gz ILLZCPMTXSKYDC-UHFFFAOYSA-N 0 0 299.355 2.951 20 10 CFCDRN C[C@H](c1ccncc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732273277 574148607 /nfs/dbraw/zinc/14/86/07/574148607.db2.gz OWSJHWUSZZZDAY-SECBINFHSA-N 0 0 262.334 2.682 20 10 CFCDRN CCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732269817 574148850 /nfs/dbraw/zinc/14/88/50/574148850.db2.gz VAIDBLGHVHBIIV-UHFFFAOYSA-N 0 0 277.345 2.782 20 10 CFCDRN Cc1nc2[nH]ccc2c(NCc2ccc(N(C)C)cc2)n1 ZINC000746429642 574148909 /nfs/dbraw/zinc/14/89/09/574148909.db2.gz JBFDMEDGHRHZSM-UHFFFAOYSA-N 0 0 281.363 2.944 20 10 CFCDRN O=C(NCc1ccccc1-n1ccnc1)C1=CC(=O)CS1 ZINC000732275962 574149388 /nfs/dbraw/zinc/14/93/88/574149388.db2.gz LLLAQJAVXSJXHR-UHFFFAOYSA-N 0 0 299.355 2.569 20 10 CFCDRN Cc1cn2cc(NC(=O)C3=CC(=O)CS3)ccc2n1 ZINC000732282254 574149878 /nfs/dbraw/zinc/14/98/78/574149878.db2.gz CDGGJXOAEWMVRJ-UHFFFAOYSA-N 0 0 273.317 2.662 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1F ZINC000732279764 574150025 /nfs/dbraw/zinc/15/00/25/574150025.db2.gz YMROFYCUUYJMDC-UHFFFAOYSA-N 0 0 294.351 2.589 20 10 CFCDRN Cc1cc(O)c(C[N@H+](CC(=O)[O-])C2CC2)cc1C(C)C ZINC000738239859 574161542 /nfs/dbraw/zinc/16/15/42/574161542.db2.gz MZLREODNEHFPOH-UHFFFAOYSA-N 0 0 277.364 2.873 20 10 CFCDRN CCOC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000738299811 574163693 /nfs/dbraw/zinc/16/36/93/574163693.db2.gz QQKGRGCKRPRASP-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN COc1ccc(N(C)CC2CCOCC2)cc1OC ZINC000732982201 574180972 /nfs/dbraw/zinc/18/09/72/574180972.db2.gz NJBTYQBFUUWAAO-UHFFFAOYSA-N 0 0 265.353 2.567 20 10 CFCDRN Fc1cccc(CNC(=S)Nc2ccccc2)n1 ZINC000747723667 574208032 /nfs/dbraw/zinc/20/80/32/574208032.db2.gz ZNUWKXZIDHVEBL-UHFFFAOYSA-N 0 0 261.325 2.707 20 10 CFCDRN Cc1ccc(O)c(CNCc2nnc(C(C)C)s2)c1 ZINC000756133202 574212287 /nfs/dbraw/zinc/21/22/87/574212287.db2.gz VDINSTNZQFJUGQ-UHFFFAOYSA-N 0 0 277.393 2.965 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1[O-] ZINC000755166648 574214245 /nfs/dbraw/zinc/21/42/45/574214245.db2.gz AMDHDGVFNMHCDT-MEBBXXQBSA-N 0 0 297.782 2.905 20 10 CFCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000729422490 574214611 /nfs/dbraw/zinc/21/46/11/574214611.db2.gz DBVFQHBOSJVKIM-SBDDDAINSA-N 0 0 281.359 2.659 20 10 CFCDRN Cc1nc(C(C)(C)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000733328231 574221377 /nfs/dbraw/zinc/22/13/77/574221377.db2.gz MQXBTASKQDSFON-UHFFFAOYSA-N 0 0 292.358 2.608 20 10 CFCDRN CC[C@H](OC1CCCC1)C(=O)NCc1ccccc1O ZINC000733360425 574224342 /nfs/dbraw/zinc/22/43/42/574224342.db2.gz JXZVDDCQUIJPPV-HNNXBMFYSA-N 0 0 277.364 2.746 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756383247 574231572 /nfs/dbraw/zinc/23/15/72/574231572.db2.gz XBVXRAODWZJWSD-PELKAZGASA-N 0 0 283.274 2.648 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC000756385340 574232254 /nfs/dbraw/zinc/23/22/54/574232254.db2.gz DCLJQOQVUJEWBZ-MRXNPFEDSA-N 0 0 290.407 2.876 20 10 CFCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCCC2)c1O ZINC000740098799 574235876 /nfs/dbraw/zinc/23/58/76/574235876.db2.gz VDEXWBUNKYNWJF-UHFFFAOYSA-N 0 0 271.316 2.839 20 10 CFCDRN COCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756424639 574235994 /nfs/dbraw/zinc/23/59/94/574235994.db2.gz VHDOTKCPBCYRNU-SECBINFHSA-N 0 0 259.296 2.748 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498611 574241512 /nfs/dbraw/zinc/24/15/12/574241512.db2.gz YCACUFVAFRFJTF-VIFPVBQESA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1ccc(C(=O)O[C@H](C)c2cccnc2)c(O)c1O ZINC000733476380 574242799 /nfs/dbraw/zinc/24/27/99/574242799.db2.gz PCHOSQMKOOVUOA-SNVBAGLBSA-N 0 0 273.288 2.719 20 10 CFCDRN C[C@H](COC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000748276662 574244626 /nfs/dbraw/zinc/24/46/26/574244626.db2.gz GEVLLLWKOFVTLW-RXMQYKEDSA-N 0 0 254.229 2.809 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(O)c1C ZINC000748345594 574247942 /nfs/dbraw/zinc/24/79/42/574247942.db2.gz OEMJVDUUHLQESD-UHFFFAOYSA-N 0 0 271.316 2.645 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000748349351 574248042 /nfs/dbraw/zinc/24/80/42/574248042.db2.gz FHSVCPBWSZERSK-HUUCEWRRSA-N 0 0 285.318 2.951 20 10 CFCDRN Cc1ccc(C)c(OCC(=O)NCc2ccccc2O)c1 ZINC000748353047 574248403 /nfs/dbraw/zinc/24/84/03/574248403.db2.gz KFPNRLZETOMGPL-UHFFFAOYSA-N 0 0 285.343 2.704 20 10 CFCDRN O=C(CCc1ccsc1)NCc1ccccc1O ZINC000748354241 574248853 /nfs/dbraw/zinc/24/88/53/574248853.db2.gz XJWVKCWCOFJQPC-UHFFFAOYSA-N 0 0 261.346 2.703 20 10 CFCDRN COc1ccc(C)cc1CC(=O)NCc1ccccc1O ZINC000748354310 574249106 /nfs/dbraw/zinc/24/91/06/574249106.db2.gz ZFWUJLJVQJJVBZ-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCSC)c1 ZINC000756585872 574250300 /nfs/dbraw/zinc/25/03/00/574250300.db2.gz NXYATKDWQZPSLX-LLVKDONJSA-N 0 0 297.420 2.973 20 10 CFCDRN Cc1cnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606124 574251680 /nfs/dbraw/zinc/25/16/80/574251680.db2.gz BXMHXDCVSSAGQV-SECBINFHSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756603371 574251919 /nfs/dbraw/zinc/25/19/19/574251919.db2.gz BIMAQZHNPHUQGG-DTWKUNHWSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756619096 574252608 /nfs/dbraw/zinc/25/26/08/574252608.db2.gz WGQQTMRQESYBMA-RYUDHWBXSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756637690 574254163 /nfs/dbraw/zinc/25/41/63/574254163.db2.gz OPGPMCUCBHSUPV-SECBINFHSA-N 0 0 266.291 2.860 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756739502 574259960 /nfs/dbraw/zinc/25/99/60/574259960.db2.gz NZRJKMGHYHZXMO-ZYHUDNBSSA-N 0 0 282.340 2.502 20 10 CFCDRN C[C@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1[O-] ZINC000756769863 574261516 /nfs/dbraw/zinc/26/15/16/574261516.db2.gz RHOIQOABECQXIR-VIFPVBQESA-N 0 0 264.275 2.916 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000756770136 574261611 /nfs/dbraw/zinc/26/16/11/574261611.db2.gz SNUJTRILLZVOLU-XEGUGMAKSA-N 0 0 294.351 2.909 20 10 CFCDRN COc1ccc(O)c(CNC(=S)NC2CCCCC2)c1 ZINC000733907162 574261743 /nfs/dbraw/zinc/26/17/43/574261743.db2.gz UNNDZFJHZSQOIB-UHFFFAOYSA-N 0 0 294.420 2.698 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788582 574263417 /nfs/dbraw/zinc/26/34/17/574263417.db2.gz XKBCXJIYTONFIP-JRPNMDOOSA-N 0 0 294.351 2.766 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000756817771 574265264 /nfs/dbraw/zinc/26/52/64/574265264.db2.gz OAHBYOHZDRGALX-NSHDSACASA-N 0 0 295.379 2.645 20 10 CFCDRN C[C@H](NCc1cocn1)c1cc(Br)ccc1O ZINC000756830448 574266308 /nfs/dbraw/zinc/26/63/08/574266308.db2.gz HKGWVBFHEGWGTR-QMMMGPOBSA-N 0 0 297.152 2.994 20 10 CFCDRN CCN1C(=O)/C(=C/c2cnc3ccccn23)SC1=S ZINC000740764584 574266384 /nfs/dbraw/zinc/26/63/84/574266384.db2.gz YTEVSEFLSCRYNG-YFHOEESVSA-N 0 0 289.385 2.555 20 10 CFCDRN O=C(CC(F)(F)F)NCCCSc1nccs1 ZINC000733974339 574266356 /nfs/dbraw/zinc/26/63/56/574266356.db2.gz NEISCAPEGNBFMZ-UHFFFAOYSA-N 0 0 284.328 2.694 20 10 CFCDRN COC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000733967671 574267398 /nfs/dbraw/zinc/26/73/98/574267398.db2.gz GUDKKDSUTCRJIY-UHFFFAOYSA-N 0 0 290.388 2.626 20 10 CFCDRN COC(=O)/C(C)=C\CN1CCCc2cc(OC)ccc21 ZINC000748815102 574269119 /nfs/dbraw/zinc/26/91/19/574269119.db2.gz JLXDENWPVMYMPR-WQLSENKSSA-N 0 0 275.348 2.567 20 10 CFCDRN CCc1ccc(O)c(C(=O)NCc2ccccc2O)c1 ZINC000748842268 574271088 /nfs/dbraw/zinc/27/10/88/574271088.db2.gz XPPZEUIKKWCMRW-UHFFFAOYSA-N 0 0 271.316 2.590 20 10 CFCDRN OC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000734160762 574277755 /nfs/dbraw/zinc/27/77/55/574277755.db2.gz GSKGUESUYOCSFF-KRWDZBQOSA-N 0 0 283.371 2.920 20 10 CFCDRN CCN(Cc1ccon1)Cc1ccc(N(C)C)cc1 ZINC000741053463 574280464 /nfs/dbraw/zinc/28/04/64/574280464.db2.gz HRXMHMNIPZTRAF-UHFFFAOYSA-N 0 0 259.353 2.763 20 10 CFCDRN C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000741083196 574281050 /nfs/dbraw/zinc/28/10/50/574281050.db2.gz MFOPZDCVIOGDBB-RYUDHWBXSA-N 0 0 293.386 2.832 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C1CC1 ZINC000734519543 574290155 /nfs/dbraw/zinc/29/01/55/574290155.db2.gz WKTIXTTYGKFFRM-GFCCVEGCSA-N 0 0 275.396 2.659 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000734550573 574292178 /nfs/dbraw/zinc/29/21/78/574292178.db2.gz SBHFWBZTLDYXFP-SNVBAGLBSA-N 0 0 265.353 2.699 20 10 CFCDRN COC(=O)/C=C\c1ccc(N(C)C2CCC2)c([N+](=O)[O-])c1 ZINC000742254540 574321912 /nfs/dbraw/zinc/32/19/12/574321912.db2.gz QMKPVIQLPQKXKS-CLFYSBASSA-N 0 0 290.319 2.770 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000735487490 574326493 /nfs/dbraw/zinc/32/64/93/574326493.db2.gz LFQGATIMZSDFHR-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN CCN(CCCCOC)c1ccc(OC)c(OC)c1 ZINC000735490958 574327295 /nfs/dbraw/zinc/32/72/95/574327295.db2.gz XDZAGZSOPOSTBN-UHFFFAOYSA-N 0 0 267.369 2.957 20 10 CFCDRN COc1ccc(N(C)CCCCCCO)cc1OC ZINC000750184176 574329557 /nfs/dbraw/zinc/32/95/57/574329557.db2.gz BZLPYDLLMLRNDX-UHFFFAOYSA-N 0 0 267.369 2.693 20 10 CFCDRN Cc1cnc([C@H](C)NC(=O)C2=CC(=O)CS2)s1 ZINC000750250229 574331713 /nfs/dbraw/zinc/33/17/13/574331713.db2.gz QBOZVUPLEBXYAI-ZETCQYMHSA-N 0 0 268.363 2.710 20 10 CFCDRN CSCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000736067108 574349856 /nfs/dbraw/zinc/34/98/56/574349856.db2.gz FSMZDDRUDQPCED-UHFFFAOYSA-N 0 0 280.437 2.854 20 10 CFCDRN CSCCCC(=O)NCCCSc1nccs1 ZINC000736090970 574350719 /nfs/dbraw/zinc/35/07/19/574350719.db2.gz DVVDYVHXCWINKZ-UHFFFAOYSA-N 0 0 290.479 2.885 20 10 CFCDRN Cn1cccc1CNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000743060744 574352915 /nfs/dbraw/zinc/35/29/15/574352915.db2.gz AFNGOUKFEUMRDU-HNNXBMFYSA-N 0 0 299.443 2.547 20 10 CFCDRN c1csc(SCc2nc(CC3CC3)no2)n1 ZINC000743277688 574356859 /nfs/dbraw/zinc/35/68/59/574356859.db2.gz SICXWXCUUNXFLD-UHFFFAOYSA-N 0 0 253.352 2.771 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncccn2)cc1 ZINC000743291059 574357295 /nfs/dbraw/zinc/35/72/95/574357295.db2.gz NMIKRECKXGRXKX-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C(F)(F)F)c1 ZINC000743337575 574358823 /nfs/dbraw/zinc/35/88/23/574358823.db2.gz WWBIUKKQMIEYLR-SFYZADRCSA-N 0 0 291.269 2.776 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000743641975 574370050 /nfs/dbraw/zinc/37/00/50/574370050.db2.gz LICSAFGVSLICFC-HIFRSBDPSA-N 0 0 273.357 2.914 20 10 CFCDRN C[C@@H]1C[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301159 574373744 /nfs/dbraw/zinc/37/37/44/574373744.db2.gz AQTIATBYMHXNIA-VXGBXAGGSA-N 0 0 292.342 2.991 20 10 CFCDRN CSCC[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000751396829 574376488 /nfs/dbraw/zinc/37/64/88/574376488.db2.gz XAYFKFNCAIPYHW-MRVPVSSYSA-N 0 0 259.396 2.667 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(Cl)cc2)c(O)c1O ZINC000751529834 574378528 /nfs/dbraw/zinc/37/85/28/574378528.db2.gz GXQCLIRVBBCMJK-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN CS/C=C\C(=O)NCc1ccc(N(C)C)cc1C ZINC000751583626 574379520 /nfs/dbraw/zinc/37/95/20/574379520.db2.gz UDCLMORFFDWEJM-FPLPWBNLSA-N 0 0 264.394 2.554 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)OCC3CC3)cs2)cc1 ZINC000751931064 574385381 /nfs/dbraw/zinc/38/53/81/574385381.db2.gz LQJSZUTXQUIUMV-UHFFFAOYSA-N 0 0 288.372 2.883 20 10 CFCDRN CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000752014339 574386724 /nfs/dbraw/zinc/38/67/24/574386724.db2.gz IREWQLMQRQBTCD-UHFFFAOYSA-N 0 0 285.391 2.662 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C23CCC(CC2)C3)c1 ZINC000752598527 574393039 /nfs/dbraw/zinc/39/30/39/574393039.db2.gz BPDXSUUHGPSWPE-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(F)C2)cc1 ZINC000753072877 574398089 /nfs/dbraw/zinc/39/80/89/574398089.db2.gz XCPQCWKCFGTZOU-UHFFFAOYSA-N 0 0 272.323 2.888 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000753589685 574405684 /nfs/dbraw/zinc/40/56/84/574405684.db2.gz LLBSXWLJGSEDKE-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN O=C(NCCCSc1nccs1)C1CC(F)(F)C1 ZINC000753607504 574406310 /nfs/dbraw/zinc/40/63/10/574406310.db2.gz PEGBTPJAYRJWEY-UHFFFAOYSA-N 0 0 292.376 2.787 20 10 CFCDRN O=C([O-])CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000819498804 597133390 /nfs/dbraw/zinc/13/33/90/597133390.db2.gz CBJIKQCORHKJMD-UHFFFAOYSA-N 0 0 271.316 2.624 20 10 CFCDRN Cc1cc(O)c(C[NH2+]CCCCCC(=O)[O-])cc1C ZINC000818849214 597138223 /nfs/dbraw/zinc/13/82/23/597138223.db2.gz FTDMMOFXXAGNGF-UHFFFAOYSA-N 0 0 265.353 2.744 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2c(O)cccc21 ZINC000935429010 649906935 /nfs/dbraw/zinc/90/69/35/649906935.db2.gz QCCGXBLBZZCZRM-ZHRWSRJISA-N 0 0 297.358 2.679 20 10 CFCDRN 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297.354 2.860 20 10 CFCDRN C[C@]1(C(=O)NCc2cccc(Cl)c2O)CCCCO1 ZINC000890761419 617840040 /nfs/dbraw/zinc/84/00/40/617840040.db2.gz REGDMWLILWQDDG-CQSZACIVSA-N 0 0 283.755 2.621 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000890764911 617847178 /nfs/dbraw/zinc/84/71/78/617847178.db2.gz HIKPZISHBFDJPP-ZWNOBZJWSA-N 0 0 286.335 2.934 20 10 CFCDRN O=C(CC1CCC1)NCc1cc(Br)ccc1O ZINC000804732978 617854454 /nfs/dbraw/zinc/85/44/54/617854454.db2.gz HIKMVIPBWOFIRO-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000924409265 617979114 /nfs/dbraw/zinc/97/91/14/617979114.db2.gz PNEUSWGLPSWWFJ-OUCADQQQSA-N 0 0 286.375 2.854 20 10 CFCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000234103067 617994106 /nfs/dbraw/zinc/99/41/06/617994106.db2.gz VAQYCTHOOVYLKH-HNNXBMFYSA-N 0 0 281.327 2.608 20 10 CFCDRN CC[C@H]([NH2+]CCCn1cncn1)c1cccc(Cl)c1[O-] ZINC000806153640 618084753 /nfs/dbraw/zinc/08/47/53/618084753.db2.gz 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CFCDRN COCc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177670488 618469496 /nfs/dbraw/zinc/46/94/96/618469496.db2.gz VNYNQPHXLBTXGB-UHFFFAOYSA-N 0 0 287.315 2.805 20 10 CFCDRN CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841295940 618567395 /nfs/dbraw/zinc/56/73/95/618567395.db2.gz KHSBYVQFCZZUKW-HUUCEWRRSA-N 0 0 291.395 2.984 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000841298157 618596601 /nfs/dbraw/zinc/59/66/01/618596601.db2.gz MUHPQZQQYSABLK-VIFPVBQESA-N 0 0 288.351 2.799 20 10 CFCDRN Nc1ccc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000841298494 618601517 /nfs/dbraw/zinc/60/15/17/618601517.db2.gz QAKSKYJUTXPSJM-LSDHHAIUSA-N 0 0 271.364 2.921 20 10 CFCDRN COc1ccc(CNc2cc(C)ccn2)c(O)c1OC ZINC000892636624 618666325 /nfs/dbraw/zinc/66/63/25/618666325.db2.gz FWFQKWNWFMYLGJ-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN Cc1csc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000182317111 625283532 /nfs/dbraw/zinc/28/35/32/625283532.db2.gz CUTOCGLKOGWKGK-SECBINFHSA-N 0 0 292.360 2.662 20 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CFCDRN O=C(NCc1cccc(Cl)c1O)NC1CC(F)(F)C1 ZINC000894442857 619383926 /nfs/dbraw/zinc/38/39/26/619383926.db2.gz HWEZTOZTWRULEQ-UHFFFAOYSA-N 0 0 290.697 2.643 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CCCO)CC1 ZINC000894438180 619385957 /nfs/dbraw/zinc/38/59/57/619385957.db2.gz WZOWEZSPIJXVTL-UHFFFAOYSA-N 0 0 285.334 2.655 20 10 CFCDRN COc1ccc(CN[C@@H]2CCCC2(F)F)c(O)c1OC ZINC000894513311 619406420 /nfs/dbraw/zinc/40/64/20/619406420.db2.gz HJBXBMSPWMWWCX-LLVKDONJSA-N 0 0 287.306 2.687 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])CCS1 ZINC000894564020 619418908 /nfs/dbraw/zinc/41/89/08/619418908.db2.gz YSJQLSIWVHOJKL-SECBINFHSA-N 0 0 273.348 2.998 20 10 CFCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894572253 619421852 /nfs/dbraw/zinc/42/18/52/619421852.db2.gz FLTCYFKHAGUVTG-HNNXBMFYSA-N 0 0 285.334 2.797 20 10 CFCDRN COc1cc(C)cc(CN2C[C@@H](O)Cc3ccccc32)c1O ZINC000894593927 619427531 /nfs/dbraw/zinc/42/75/31/619427531.db2.gz ZWMNOFAUXNTUEE-HNNXBMFYSA-N 0 0 299.370 2.633 20 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10 CFCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186133970 625850383 /nfs/dbraw/zinc/85/03/83/625850383.db2.gz JGTOWARUVHHUBO-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)cc1[O-] ZINC000834831937 625889382 /nfs/dbraw/zinc/88/93/82/625889382.db2.gz LTTHTTJJTDVCKI-QWHCGFSZSA-N 0 0 275.327 2.914 20 10 CFCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834871882 625906150 /nfs/dbraw/zinc/90/61/50/625906150.db2.gz UPDXDJCWQLRNLL-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000186234222 626020034 /nfs/dbraw/zinc/02/00/34/626020034.db2.gz ACSRRAHFELDVFR-JQWIXIFHSA-N 0 0 253.317 2.751 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000851663431 634473860 /nfs/dbraw/zinc/47/38/60/634473860.db2.gz YVSFLJFVZWHGOK-QGZVFWFLSA-N 0 0 295.386 2.798 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)C)c1 ZINC000756345527 626135232 /nfs/dbraw/zinc/13/52/32/626135232.db2.gz YNQXUEZDIHSVGY-LLVKDONJSA-N 0 0 265.353 2.876 20 10 CFCDRN C[C@@H](C(=O)[O-])[N@H+](Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000851707333 634480569 /nfs/dbraw/zinc/48/05/69/634480569.db2.gz AVNBOLZYMGHLJC-LBPRGKRZSA-N 0 0 276.380 2.580 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCCCS1 ZINC000921905015 626176028 /nfs/dbraw/zinc/17/60/28/626176028.db2.gz JYGBTRHBLKHFEW-SNVBAGLBSA-N 0 0 298.383 2.616 20 10 CFCDRN Cc1noc(C(C)(C)NCc2ccc3c(c2)CCCO3)n1 ZINC000922113001 626210026 /nfs/dbraw/zinc/21/00/26/626210026.db2.gz HXWLCCIRZXCNMZ-UHFFFAOYSA-N 0 0 287.363 2.728 20 10 CFCDRN O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000922439449 626288887 /nfs/dbraw/zinc/28/88/87/626288887.db2.gz OPARZCSVVPLVOY-IONNQARKSA-N 0 0 296.266 2.720 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCCC1(F)F ZINC000922489814 626297687 /nfs/dbraw/zinc/29/76/87/626297687.db2.gz LHWBHJQBYIJWKH-NSHDSACASA-N 0 0 288.269 2.518 20 10 CFCDRN CC(C)(C)NC(=O)NCCCSc1nccs1 ZINC000154597383 626311657 /nfs/dbraw/zinc/31/16/57/626311657.db2.gz FQIYUJALZDPDHV-UHFFFAOYSA-N 0 0 273.427 2.723 20 10 CFCDRN CN(C)c1ccc(/C=C\CNc2nncn2C2CC2)cc1 ZINC000922660026 626336523 /nfs/dbraw/zinc/33/65/23/626336523.db2.gz RWMQXVZSRYXDAG-ARJAWSKDSA-N 0 0 283.379 2.804 20 10 CFCDRN CCn1cnnc1NCc1ccc(N2CCCCC2)cc1 ZINC000922660621 626336681 /nfs/dbraw/zinc/33/66/81/626336681.db2.gz QWFQCUYMGYAXTD-UHFFFAOYSA-N 0 0 285.395 2.900 20 10 CFCDRN O=C(NCCc1ccc(Cl)s1)c1cccc(O)c1O ZINC000186954838 626407813 /nfs/dbraw/zinc/40/78/13/626407813.db2.gz PDSWQKDEGWFVFF-UHFFFAOYSA-N 0 0 297.763 2.785 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SC[C@H](O)C1CC1 ZINC000840740600 626415852 /nfs/dbraw/zinc/41/58/52/626415852.db2.gz UYDDFVJJXWJSJU-AWEZNQCLSA-N 0 0 274.389 2.950 20 10 CFCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000923085142 626449766 /nfs/dbraw/zinc/44/97/66/626449766.db2.gz QYOCGXGRPRGGGX-SECBINFHSA-N 0 0 268.332 2.765 20 10 CFCDRN CC1(C)CC(NC(=O)NCc2c(O)cccc2F)C1 ZINC000923348525 626467893 /nfs/dbraw/zinc/46/78/93/626467893.db2.gz HREAMVHBXNGMDE-UHFFFAOYSA-N 0 0 266.316 2.519 20 10 CFCDRN CN(C[C@H](O)CCc1ccccc1)c1ccc(N)cc1 ZINC000923401871 626470801 /nfs/dbraw/zinc/47/08/01/626470801.db2.gz YWBHJBWQZJFEQG-QGZVFWFLSA-N 0 0 270.376 2.699 20 10 CFCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(O)c2O)C1 ZINC000187191129 626479208 /nfs/dbraw/zinc/47/92/08/626479208.db2.gz YBHKSRZYKGOLMR-GHMZBOCLSA-N 0 0 295.404 2.844 20 10 CFCDRN C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC=CCC1 ZINC000838317046 626493154 /nfs/dbraw/zinc/49/31/54/626493154.db2.gz RFILLPICBNDIPU-BVBGJJFLSA-N 0 0 273.332 2.726 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)[C@@H]1C ZINC000838477204 626499047 /nfs/dbraw/zinc/49/90/47/626499047.db2.gz FGFCRBVJOPZNEV-STQMWFEESA-N 0 0 275.396 2.611 20 10 CFCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]1C1CC1 ZINC000838515598 626500161 /nfs/dbraw/zinc/50/01/61/626500161.db2.gz XPVSMWZKVRHULX-LLVKDONJSA-N 0 0 297.449 2.819 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000838664952 626503108 /nfs/dbraw/zinc/50/31/08/626503108.db2.gz FMSOXPCFBKUTIN-YPMHNXCESA-N 0 0 262.353 2.580 20 10 CFCDRN CN(Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000121340822 626503223 /nfs/dbraw/zinc/50/32/23/626503223.db2.gz GZBHHWORAIYRRA-UHFFFAOYSA-N 0 0 286.287 2.960 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000838921963 626514076 /nfs/dbraw/zinc/51/40/76/626514076.db2.gz OFWRORHNJMOFJY-UHFFFAOYSA-N 0 0 262.309 2.723 20 10 CFCDRN COCc1cc(CN2CCCc3cc(OC)ccc32)no1 ZINC000839001022 626519675 /nfs/dbraw/zinc/51/96/75/626519675.db2.gz GXJGPBIHHHUNLB-UHFFFAOYSA-N 0 0 288.347 2.782 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840817844 626522622 /nfs/dbraw/zinc/52/26/22/626522622.db2.gz VOXYXEMVTNGBQD-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1[O-] ZINC000839132317 626527966 /nfs/dbraw/zinc/52/79/66/626527966.db2.gz YQVNQZWVUSQTKB-PHIMTYICSA-N 0 0 265.740 2.742 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC(OCC(F)F)C2)c1O ZINC000839138812 626528375 /nfs/dbraw/zinc/52/83/75/626528375.db2.gz UBODPQTUXZLPGW-UHFFFAOYSA-N 0 0 291.725 2.820 20 10 CFCDRN Cc1ncc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000839170606 626529353 /nfs/dbraw/zinc/52/93/53/626529353.db2.gz PHXNRGJKDKRZRK-UHFFFAOYSA-N 0 0 297.698 2.540 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@]2(C)CC=CCC2)ccc1[N+](=O)[O-] ZINC000839193746 626531116 /nfs/dbraw/zinc/53/11/16/626531116.db2.gz XBIVQRRLNWVJES-OAHLLOKOSA-N 0 0 292.335 2.897 20 10 CFCDRN COc1ccc(N(C)CCC2(O)CCC2)cc1F ZINC000839502395 626538276 /nfs/dbraw/zinc/53/82/76/626538276.db2.gz JCQTWQOSCXRVLB-UHFFFAOYSA-N 0 0 253.317 2.576 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC(F)(F)C1 ZINC000754018240 626541652 /nfs/dbraw/zinc/54/16/52/626541652.db2.gz QWLQCQFYAZDPRB-UHFFFAOYSA-N 0 0 295.329 2.933 20 10 CFCDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000839611420 626549168 /nfs/dbraw/zinc/54/91/68/626549168.db2.gz HROIFLPMZNGLRC-LSDHHAIUSA-N 0 0 297.354 2.821 20 10 CFCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccccc1O ZINC000839612236 626549398 /nfs/dbraw/zinc/54/93/98/626549398.db2.gz OCYNVZGTOHZMTB-ZDUSSCGKSA-N 0 0 279.380 2.994 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(F)(F)F)c1 ZINC000103530036 626552196 /nfs/dbraw/zinc/55/21/96/626552196.db2.gz LRMDXCKPMPXVJH-ZETCQYMHSA-N 0 0 277.242 2.530 20 10 CFCDRN CCC[C@@H]1C[NH2+]CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843058236 626552276 /nfs/dbraw/zinc/55/22/76/626552276.db2.gz PCXMFJUAKNEBDJ-SNVBAGLBSA-N 0 0 286.778 2.759 20 10 CFCDRN COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000757637849 626556884 /nfs/dbraw/zinc/55/68/84/626556884.db2.gz OBRVNNOZFWZEOQ-SNVBAGLBSA-N 0 0 280.324 2.520 20 10 CFCDRN COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000757637846 626556959 /nfs/dbraw/zinc/55/69/59/626556959.db2.gz OBRVNNOZFWZEOQ-JTQLQIEISA-N 0 0 280.324 2.520 20 10 CFCDRN COC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000757639781 626557073 /nfs/dbraw/zinc/55/70/73/626557073.db2.gz UQPNTDAWYFDZQW-SECBINFHSA-N 0 0 271.307 2.890 20 10 CFCDRN Cc1cnc(NCc2ccc3c(c2)CCCN3C)nc1 ZINC000758157416 626579562 /nfs/dbraw/zinc/57/95/62/626579562.db2.gz UQKFHSGQLZOSPD-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN CN(Cc1cc(Cl)cn1C)C(=O)C1=CC(=O)CS1 ZINC000758319724 626588447 /nfs/dbraw/zinc/58/84/47/626588447.db2.gz WVMLHDVWQKCLHK-UHFFFAOYSA-N 0 0 284.768 2.718 20 10 CFCDRN O=C(OCc1cnc(Cl)s1)c1cccc(O)c1O ZINC000758557644 626597910 /nfs/dbraw/zinc/59/79/10/626597910.db2.gz CAGPSXBCNLHTBN-UHFFFAOYSA-N 0 0 285.708 2.565 20 10 CFCDRN O=C(OCCCc1ccsc1)c1cccc(O)c1O ZINC000758548919 626598039 /nfs/dbraw/zinc/59/80/39/626598039.db2.gz XHKRJOBAPPSAMF-UHFFFAOYSA-N 0 0 278.329 2.949 20 10 CFCDRN CC(C)c1noc([C@H](C)OC(=O)c2cccc(O)c2O)n1 ZINC000758557906 626598220 /nfs/dbraw/zinc/59/82/20/626598220.db2.gz KWGAIMINOWWDEK-QMMMGPOBSA-N 0 0 292.291 2.522 20 10 CFCDRN C[C@H](NC(=O)NC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000759150298 626631450 /nfs/dbraw/zinc/63/14/50/626631450.db2.gz RSEVIIPKHFXCSJ-JTQLQIEISA-N 0 0 297.349 2.911 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H](c1cccnc1)C1CC1 ZINC000759342531 626648304 /nfs/dbraw/zinc/64/83/04/626648304.db2.gz BDPRNCDSMGTLBD-INIZCTEOSA-N 0 0 297.358 2.738 20 10 CFCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000759590347 626673826 /nfs/dbraw/zinc/67/38/26/626673826.db2.gz NRCJCXNGKPGHFL-GHMZBOCLSA-N 0 0 299.465 2.923 20 10 CFCDRN CCC(CC)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759595994 626674387 /nfs/dbraw/zinc/67/43/87/626674387.db2.gz SUMPJABLZUAFAM-VURMDHGXSA-N 0 0 250.294 2.843 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC23CCC3)cc1 ZINC000759691509 626684272 /nfs/dbraw/zinc/68/42/72/626684272.db2.gz SXAKTKKGUQITOE-HNNXBMFYSA-N 0 0 272.392 2.901 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC12CCC2 ZINC000759794890 626691984 /nfs/dbraw/zinc/69/19/84/626691984.db2.gz URLMLCZMJWOLKY-OAHLLOKOSA-N 0 0 272.392 2.867 20 10 CFCDRN CC(C)c1cc(N(C)Cc2ccccc2O)ncn1 ZINC000760261868 626726242 /nfs/dbraw/zinc/72/62/42/626726242.db2.gz GWHAMCAWEHNNBX-UHFFFAOYSA-N 0 0 257.337 2.942 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC12CCCC2 ZINC000760581205 626757208 /nfs/dbraw/zinc/75/72/08/626757208.db2.gz GKGVGJOVPAUFPL-SDQPKGBYSA-N 0 0 273.332 2.560 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(O)CCC1 ZINC000761219337 626816342 /nfs/dbraw/zinc/81/63/42/626816342.db2.gz NOJUWRVGGDKYHP-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN COCCC1(C(=O)NCc2ccccc2O)CCCC1 ZINC000761496570 626841084 /nfs/dbraw/zinc/84/10/84/626841084.db2.gz GYAJGBNGDNAKFT-UHFFFAOYSA-N 0 0 277.364 2.605 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(-c2cc[nH]n2)s1 ZINC000762096861 626890127 /nfs/dbraw/zinc/89/01/27/626890127.db2.gz MHECDYLXFLLRIP-UHFFFAOYSA-N 0 0 299.355 2.774 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000762275518 626908881 /nfs/dbraw/zinc/90/88/81/626908881.db2.gz SLCPSXXUOKNXHY-OCCSQVGLSA-N 0 0 291.391 2.973 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000762649136 626927772 /nfs/dbraw/zinc/92/77/72/626927772.db2.gz MEEQUWNXLYPKTL-ZDMBXUJBSA-N 0 0 271.307 2.746 20 10 CFCDRN Cc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000762790930 626937571 /nfs/dbraw/zinc/93/75/71/626937571.db2.gz RBXGAIUIRMZWDJ-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN C/C=C/C[C@H](NCc1cc(F)ccc1O)C(=O)OCC ZINC000763361502 626982656 /nfs/dbraw/zinc/98/26/56/626982656.db2.gz LLIRBEDWNGIHCK-LQPUYASZSA-N 0 0 281.327 2.519 20 10 CFCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)OC(C)(C)C ZINC000764341707 627052247 /nfs/dbraw/zinc/05/22/47/627052247.db2.gz IWQMHNLCCIGXOS-LLVKDONJSA-N 0 0 299.392 2.550 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cncnc1 ZINC000764608010 627075530 /nfs/dbraw/zinc/07/55/30/627075530.db2.gz DHLFOHWBSGDKLU-ZDUSSCGKSA-N 0 0 299.374 2.725 20 10 CFCDRN COc1cc(CN2CCc3cc(OC)ccc32)sn1 ZINC000851830916 634550084 /nfs/dbraw/zinc/55/00/84/634550084.db2.gz HCYCCYIVSDQMCJ-UHFFFAOYSA-N 0 0 276.361 2.723 20 10 CFCDRN CCN(CCOC(F)F)c1ccc(OC)c(OC)c1 ZINC000851828173 634550238 /nfs/dbraw/zinc/55/02/38/634550238.db2.gz NPSNCYBTPRHJPR-UHFFFAOYSA-N 0 0 275.295 2.769 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000765416974 627136219 /nfs/dbraw/zinc/13/62/19/627136219.db2.gz DWTYLRBNOYQUCF-CABZTGNLSA-N 0 0 283.393 2.777 20 10 CFCDRN CCc1cc(C)nc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000766100278 627178092 /nfs/dbraw/zinc/17/80/92/627178092.db2.gz MQPJVOJNWYFIJG-JTQLQIEISA-N 0 0 287.363 2.802 20 10 CFCDRN CC[C@@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000766340316 627196455 /nfs/dbraw/zinc/19/64/55/627196455.db2.gz JYHKBAZZSGITDT-CYBMUJFWSA-N 0 0 288.391 2.664 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000766908792 627226505 /nfs/dbraw/zinc/22/65/05/627226505.db2.gz DVCUWNNDSCYQKG-WWGRRREGSA-N 0 0 290.407 2.602 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C2CC2)o1 ZINC000767227449 627240270 /nfs/dbraw/zinc/24/02/70/627240270.db2.gz DJSNTGORYDQNFH-UHFFFAOYSA-N 0 0 272.352 2.934 20 10 CFCDRN CC(C)(C)c1cnc(S[C@H]2CCCNC2=O)s1 ZINC000768399978 627341195 /nfs/dbraw/zinc/34/11/95/627341195.db2.gz GCOKEIOOGBBFSA-QMMMGPOBSA-N 0 0 270.423 2.811 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCOC2)cc1F ZINC000768529623 627350840 /nfs/dbraw/zinc/35/08/40/627350840.db2.gz ADTOYXQIBYSMLG-NSHDSACASA-N 0 0 253.317 2.697 20 10 CFCDRN CCN(C[C@H]1CCCOC1)c1ccc(OC)c(OC)c1 ZINC000768541567 627352361 /nfs/dbraw/zinc/35/23/61/627352361.db2.gz IKYKJFUVHXVCMH-CYBMUJFWSA-N 0 0 279.380 2.957 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)[C@@H](C)C2)cc1 ZINC000768827600 627377232 /nfs/dbraw/zinc/37/72/32/627377232.db2.gz XATFTFKJPXTZLX-SJCJKPOMSA-N 0 0 298.386 2.547 20 10 CFCDRN CCOc1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC000769125528 627404977 /nfs/dbraw/zinc/40/49/77/627404977.db2.gz PGVSEHDORGFIES-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](F)c2ccccc2)c1 ZINC000769602080 627460145 /nfs/dbraw/zinc/46/01/45/627460145.db2.gz FALMRWIMHALEFN-HNNXBMFYSA-N 0 0 289.306 2.728 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H](F)c1ccccc1 ZINC000769608316 627460685 /nfs/dbraw/zinc/46/06/85/627460685.db2.gz PTNSTTHVHHYFRH-AWEZNQCLSA-N 0 0 259.280 2.719 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000769992837 627494685 /nfs/dbraw/zinc/49/46/85/627494685.db2.gz DTJFDJUUKKYLRN-NCDNIOQDSA-N 0 0 271.307 2.648 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1O ZINC000770465476 627524024 /nfs/dbraw/zinc/52/40/24/627524024.db2.gz CNQCJNMYZOYRHO-SUZMYJTESA-N 0 0 277.364 2.961 20 10 CFCDRN CCN(Cc1ccoc1)C(=O)c1ccc(C)c(O)c1O ZINC000770486308 627525311 /nfs/dbraw/zinc/52/53/11/627525311.db2.gz QCCUXPRYCCBLFX-UHFFFAOYSA-N 0 0 275.304 2.662 20 10 CFCDRN O=C(N[C@H]1CC12CCCCC2)C1=CC(=O)CS1 ZINC000771402321 627602464 /nfs/dbraw/zinc/60/24/64/627602464.db2.gz CTWTWBVFDKNRLI-NSHDSACASA-N 0 0 251.351 2.906 20 10 CFCDRN COc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1F ZINC000771524674 627611299 /nfs/dbraw/zinc/61/12/99/627611299.db2.gz ULHAMYSWCDHSLR-UHFFFAOYSA-N 0 0 291.278 2.806 20 10 CFCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1 ZINC000772294664 627698523 /nfs/dbraw/zinc/69/85/23/627698523.db2.gz CUVAWKQBUNIGNB-LBPRGKRZSA-N 0 0 296.378 2.672 20 10 CFCDRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000772476979 627711780 /nfs/dbraw/zinc/71/17/80/627711780.db2.gz ZFANYTHLSDEHGJ-JTQLQIEISA-N 0 0 291.372 2.863 20 10 CFCDRN C[C@@H](NC(=O)Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000772993527 627765404 /nfs/dbraw/zinc/76/54/04/627765404.db2.gz ISPRKTRUINIEOL-CYBMUJFWSA-N 0 0 283.375 2.568 20 10 CFCDRN C[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000772996369 627766201 /nfs/dbraw/zinc/76/62/01/627766201.db2.gz DHSPQZVGVOWJIQ-UONOGXRCSA-N 0 0 290.407 2.747 20 10 CFCDRN CO[C@@H](C)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772998306 627766209 /nfs/dbraw/zinc/76/62/09/627766209.db2.gz JCFQVARHJKYMCO-QWHCGFSZSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1[nH]nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000772996421 627766429 /nfs/dbraw/zinc/76/64/29/627766429.db2.gz DTJVDODOZTVTAI-LBPRGKRZSA-N 0 0 286.379 2.584 20 10 CFCDRN C[C@H](NC(=O)[C@@]1(C)CCCOC1)c1ccc(N(C)C)cc1 ZINC000773009700 627768206 /nfs/dbraw/zinc/76/82/06/627768206.db2.gz QBDRTFPIXLZFBX-GUYCJALGSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773015497 627769128 /nfs/dbraw/zinc/76/91/28/627769128.db2.gz PDFYQFSZYVXEJJ-VXGBXAGGSA-N 0 0 260.381 2.976 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1C ZINC000773024553 627771123 /nfs/dbraw/zinc/77/11/23/627771123.db2.gz LNKXGTGYSGKGOI-CYBMUJFWSA-N 0 0 285.391 2.891 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773181956 627792644 /nfs/dbraw/zinc/79/26/44/627792644.db2.gz DHJHIABEWVOLTM-OBJOEFQTSA-N 0 0 275.396 2.769 20 10 CFCDRN C[C@H](NC(=O)NOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773445614 627819720 /nfs/dbraw/zinc/81/97/20/627819720.db2.gz YELWTKNSONOAMM-LBPRGKRZSA-N 0 0 291.395 2.987 20 10 CFCDRN CCN(C)c1ccc(CN(C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000773766705 627856801 /nfs/dbraw/zinc/85/68/01/627856801.db2.gz UNEWJDVYAJELGH-AWEZNQCLSA-N 0 0 292.423 2.915 20 10 CFCDRN O=C(NCc1ccc2c(n1)CCCC2)C1=CC(=O)CS1 ZINC000774399289 627921102 /nfs/dbraw/zinc/92/11/02/627921102.db2.gz KKALSZPWONLPDA-UHFFFAOYSA-N 0 0 288.372 2.658 20 10 CFCDRN CC1(C)OC(=O)c2c1ccnc2NCc1ccccc1O ZINC000774523083 627934722 /nfs/dbraw/zinc/93/47/22/627934722.db2.gz FBYJALOLVIOAIS-UHFFFAOYSA-N 0 0 284.315 2.805 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCC(=O)O2)cc1 ZINC000851985796 634616526 /nfs/dbraw/zinc/61/65/26/634616526.db2.gz RKBUCOHJUHTNGP-AWEZNQCLSA-N 0 0 263.337 2.616 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOC1CCCC1 ZINC000774807301 627965180 /nfs/dbraw/zinc/96/51/80/627965180.db2.gz DQTDREZASFDBOL-UHFFFAOYSA-N 0 0 291.395 2.734 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCCC2CC2)ccc1[N+](=O)[O-] ZINC000775027502 627985596 /nfs/dbraw/zinc/98/55/96/627985596.db2.gz HEQXCALFEMZAPG-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775097767 627993534 /nfs/dbraw/zinc/99/35/34/627993534.db2.gz MRAAIIIYNUVFAL-MWLCHTKSSA-N 0 0 280.324 2.587 20 10 CFCDRN C[C@H](NC(=O)C1CCC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000775406902 628021634 /nfs/dbraw/zinc/02/16/34/628021634.db2.gz PZPOQBGSKTYEMA-LBPRGKRZSA-N 0 0 288.391 2.689 20 10 CFCDRN CC(=O)CCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403172 628021697 /nfs/dbraw/zinc/02/16/97/628021697.db2.gz HCAQDWATIFIXBC-CYBMUJFWSA-N 0 0 276.380 2.689 20 10 CFCDRN C[C@H](NC(=O)C1(O)CCCCC1)c1ccc(N(C)C)cc1 ZINC000775404346 628021880 /nfs/dbraw/zinc/02/18/80/628021880.db2.gz MVHBBMFWJLMDIS-ZDUSSCGKSA-N 0 0 290.407 2.625 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775405199 628021946 /nfs/dbraw/zinc/02/19/46/628021946.db2.gz RUMGXKIMLCWUEQ-FWYOQMDTSA-N 0 0 272.392 2.976 20 10 CFCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775414118 628023281 /nfs/dbraw/zinc/02/32/81/628023281.db2.gz FJFIQIUVYRHLKD-NSHDSACASA-N 0 0 288.351 2.932 20 10 CFCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000775654217 628050040 /nfs/dbraw/zinc/05/00/40/628050040.db2.gz VHUQAESSCSLWBY-NSHDSACASA-N 0 0 269.772 2.904 20 10 CFCDRN Cc1cnccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775698631 628056551 /nfs/dbraw/zinc/05/65/51/628056551.db2.gz ZOMZXBYRLYOBJA-ZDUSSCGKSA-N 0 0 298.390 2.761 20 10 CFCDRN Cc1cccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000775719100 628059509 /nfs/dbraw/zinc/05/95/09/628059509.db2.gz CNFGGRLRUCATJM-ZYHUDNBSSA-N 0 0 289.297 2.852 20 10 CFCDRN CCCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775832366 628073851 /nfs/dbraw/zinc/07/38/51/628073851.db2.gz ZRXHWUGQHQRGMI-LBPRGKRZSA-N 0 0 288.395 2.939 20 10 CFCDRN CCCC[C@H](NCc1ccc(OCC)cc1O)C(=O)OC ZINC000775980071 628090106 /nfs/dbraw/zinc/09/01/06/628090106.db2.gz ODQJXLBRPLZCCG-AWEZNQCLSA-N 0 0 295.379 2.612 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000776215362 628118025 /nfs/dbraw/zinc/11/80/25/628118025.db2.gz AKRZEPPCXMWIPP-GFCCVEGCSA-N 0 0 299.729 2.909 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC1 ZINC000776219957 628119018 /nfs/dbraw/zinc/11/90/18/628119018.db2.gz SHFUETXUCAENER-IUCAKERBSA-N 0 0 273.735 2.699 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000776247489 628121139 /nfs/dbraw/zinc/12/11/39/628121139.db2.gz DRTDPOZRUUEFRT-LLVKDONJSA-N 0 0 295.745 2.555 20 10 CFCDRN O=C(Nc1ccn(-c2ccccc2)n1)c1cccc(O)c1O ZINC000776325719 628131624 /nfs/dbraw/zinc/13/16/24/628131624.db2.gz PVJIKDXNIQWILO-UHFFFAOYSA-N 0 0 295.298 2.536 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008170717 634636258 /nfs/dbraw/zinc/63/62/58/634636258.db2.gz KSBCKMFKMYGPNF-UHFFFAOYSA-N 0 0 299.330 2.591 20 10 CFCDRN CCOc1ccc(CNc2cc(CC)on2)c(O)c1 ZINC000777519633 628231776 /nfs/dbraw/zinc/23/17/76/628231776.db2.gz IORHIHOIXCFBRQ-UHFFFAOYSA-N 0 0 262.309 2.953 20 10 CFCDRN CCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000777647643 628243576 /nfs/dbraw/zinc/24/35/76/628243576.db2.gz ACYZUOVVMNSCGL-UHFFFAOYSA-N 0 0 295.335 2.895 20 10 CFCDRN O=C(C[C@H]1CCc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000778920024 628339599 /nfs/dbraw/zinc/33/95/99/628339599.db2.gz SZXCAWIUHCTEIS-CQSZACIVSA-N 0 0 297.354 2.834 20 10 CFCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000779073654 628350373 /nfs/dbraw/zinc/35/03/73/628350373.db2.gz PFBQUINTVFWFIS-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@H](C1CC1)n1cc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000779434395 628382267 /nfs/dbraw/zinc/38/22/67/628382267.db2.gz BJEKORPZQXROHQ-MRVPVSSYSA-N 0 0 277.349 2.874 20 10 CFCDRN CC[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779516115 628386476 /nfs/dbraw/zinc/38/64/76/628386476.db2.gz ZROQLNXFFHRVTJ-XYLWRLHESA-N 0 0 261.321 2.512 20 10 CFCDRN Cc1cc(C)nc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779538464 628386948 /nfs/dbraw/zinc/38/69/48/628386948.db2.gz ZWBQIOCYUYLFBV-GQCTYLIASA-N 0 0 284.315 2.762 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCC(F)(F)C1 ZINC000779538628 628386968 /nfs/dbraw/zinc/38/69/68/628386968.db2.gz XIKSHTHXTNMOMA-QZPNVGJNSA-N 0 0 297.301 2.805 20 10 CFCDRN COc1cc(C)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000780206891 628439057 /nfs/dbraw/zinc/43/90/57/628439057.db2.gz COGFEPSAVGAGAX-UHFFFAOYSA-N 0 0 298.386 3.000 20 10 CFCDRN CCn1cc(CN2CCCc3cc(OC)ccc32)cn1 ZINC000780766573 628495976 /nfs/dbraw/zinc/49/59/76/628495976.db2.gz IWBLJFCVRSVPCT-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN CCOc1ccc(N(C)Cc2cn(C)nc2C)cc1 ZINC000780775186 628496035 /nfs/dbraw/zinc/49/60/35/628496035.db2.gz SHAMKXIXHNITNR-UHFFFAOYSA-N 0 0 259.353 2.764 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnc2cnccn12 ZINC000780767789 628496081 /nfs/dbraw/zinc/49/60/81/628496081.db2.gz XVTOKPKGMHCHGU-UHFFFAOYSA-N 0 0 294.358 2.691 20 10 CFCDRN CCOc1cccc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000780778743 628496417 /nfs/dbraw/zinc/49/64/17/628496417.db2.gz RGMKEXOPHKWIEV-UHFFFAOYSA-N 0 0 286.331 2.845 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000780783452 628497087 /nfs/dbraw/zinc/49/70/87/628497087.db2.gz CPZBHPZCKRAZSH-SDDRHHMPSA-N 0 0 292.379 2.950 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1CC(C)(C)C1 ZINC000780874002 628501521 /nfs/dbraw/zinc/50/15/21/628501521.db2.gz QFGXESOPNGVUAT-UHFFFAOYSA-N 0 0 276.380 2.970 20 10 CFCDRN Cc1cccc(CN(C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000780880390 628501980 /nfs/dbraw/zinc/50/19/80/628501980.db2.gz YMGZMVBJICVOLS-UHFFFAOYSA-N 0 0 285.343 2.987 20 10 CFCDRN COc1ccccc1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000780902265 628503638 /nfs/dbraw/zinc/50/36/38/628503638.db2.gz BNZFFZXVWQQUAA-UHFFFAOYSA-N 0 0 287.315 2.691 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c(O)c1O ZINC000780936363 628505690 /nfs/dbraw/zinc/50/56/90/628505690.db2.gz BEGSOUJODUROSS-IRUJWGPZSA-N 0 0 277.364 2.961 20 10 CFCDRN CC[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000780967203 628508865 /nfs/dbraw/zinc/50/88/65/628508865.db2.gz RLHQJBGJNUBOCW-OAHLLOKOSA-N 0 0 263.337 2.668 20 10 CFCDRN Cc1cc(Br)c(O)c(CNc2cnn(C)c2)c1 ZINC000781917472 628591018 /nfs/dbraw/zinc/59/10/18/628591018.db2.gz HTBNLNCVTLVCME-UHFFFAOYSA-N 0 0 296.168 2.809 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C)COC2)cc1 ZINC000782210345 628614903 /nfs/dbraw/zinc/61/49/03/628614903.db2.gz RVRZORNMKJHSMM-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000783302110 628699040 /nfs/dbraw/zinc/69/90/40/628699040.db2.gz BQDMUDVPNJDPNC-AAEUAGOBSA-N 0 0 291.347 2.522 20 10 CFCDRN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(F)cc(F)c1[O-] ZINC000783313499 628700200 /nfs/dbraw/zinc/70/02/00/628700200.db2.gz BDUASWOZASHNHK-JTQLQIEISA-N 0 0 284.350 2.805 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000783591672 628724838 /nfs/dbraw/zinc/72/48/38/628724838.db2.gz WQUOUPSUFHHHJN-HNNXBMFYSA-N 0 0 290.407 2.635 20 10 CFCDRN Cc1cscc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783999492 628761077 /nfs/dbraw/zinc/76/10/77/628761077.db2.gz RVWDWQKUCDACHN-UHFFFAOYSA-N 0 0 292.312 2.507 20 10 CFCDRN CCc1nnc(CN2CCc3cc(OC)ccc32)s1 ZINC000784173942 628787809 /nfs/dbraw/zinc/78/78/09/628787809.db2.gz JCLBAUCKXHGNPZ-UHFFFAOYSA-N 0 0 275.377 2.672 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C(C)(C)C(C)C)c1 ZINC000784442055 628817308 /nfs/dbraw/zinc/81/73/08/628817308.db2.gz LNFIZMXQNHPGIK-UHFFFAOYSA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1ccn(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000784528197 628824758 /nfs/dbraw/zinc/82/47/58/628824758.db2.gz BDVFCBZNMJQZOK-CYBMUJFWSA-N 0 0 285.391 2.891 20 10 CFCDRN CC(C)C[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784737621 628839606 /nfs/dbraw/zinc/83/96/06/628839606.db2.gz ZQJDQCFYNGJLTP-SNVBAGLBSA-N 0 0 280.320 2.506 20 10 CFCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000786574428 628968888 /nfs/dbraw/zinc/96/88/88/628968888.db2.gz BTHKVRCTFFNZKS-CIUDSAMLSA-N 0 0 259.296 2.744 20 10 CFCDRN CSC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000786763421 628978717 /nfs/dbraw/zinc/97/87/17/628978717.db2.gz AVWFYHVWSZLVHO-UHFFFAOYSA-N 0 0 292.448 2.997 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc2[nH]ccc2c1 ZINC000788263471 629053545 /nfs/dbraw/zinc/05/35/45/629053545.db2.gz AAVXALSQBWISIM-DAXSKMNVSA-N 0 0 294.358 2.968 20 10 CFCDRN C[C@H]1CC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000805864262 629061397 /nfs/dbraw/zinc/06/13/97/629061397.db2.gz ITENROJQGGNADW-WFASDCNBSA-N 0 0 287.407 2.667 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@@H]1C ZINC000805866278 629064879 /nfs/dbraw/zinc/06/48/79/629064879.db2.gz JIDXDBQFPOAQJW-NHYWBVRUSA-N 0 0 275.396 2.659 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C#N)cc1 ZINC000788498320 629075097 /nfs/dbraw/zinc/07/50/97/629075097.db2.gz JELWZLXESDOIKS-UHFFFAOYSA-N 0 0 253.305 2.647 20 10 CFCDRN COC(=O)[C@@H](OC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000788939118 629109708 /nfs/dbraw/zinc/10/97/08/629109708.db2.gz BZGKSBPGCAXBDZ-JTQLQIEISA-N 0 0 298.341 2.586 20 10 CFCDRN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncnn1C ZINC000788982354 629113477 /nfs/dbraw/zinc/11/34/77/629113477.db2.gz HPURVYDRXQFQGZ-KKZNHRDASA-N 0 0 290.342 2.559 20 10 CFCDRN CC[C@H](Nc1cn(C)nc1OC)c1ccccc1O ZINC000788986239 629114562 /nfs/dbraw/zinc/11/45/62/629114562.db2.gz WAYKMJVYCDVPJR-NSHDSACASA-N 0 0 261.325 2.698 20 10 CFCDRN 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CFCDRN C[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCOC1 ZINC000790982589 629277732 /nfs/dbraw/zinc/27/77/32/629277732.db2.gz UWZUYNNLANNYCM-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790986679 629278023 /nfs/dbraw/zinc/27/80/23/629278023.db2.gz SXSRSNDYWRVRDS-ISVAXAHUSA-N 0 0 273.735 2.842 20 10 CFCDRN Cc1cc(C(=O)N2CC(C)C2)c(C)n1-c1ccccn1 ZINC000791246032 629294305 /nfs/dbraw/zinc/29/43/05/629294305.db2.gz RAOJYSSWIJZWEL-UHFFFAOYSA-N 0 0 269.348 2.581 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCOCC23CC3)cc1 ZINC000835049563 629350223 /nfs/dbraw/zinc/35/02/23/629350223.db2.gz KESMYJFWDIEEQC-ONEGZZNKSA-N 0 0 272.392 2.631 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)C(F)F)cc1 ZINC000791996821 629386202 /nfs/dbraw/zinc/38/62/02/629386202.db2.gz KYDCSCPDUDNRDE-UHFFFAOYSA-N 0 0 285.338 2.596 20 10 CFCDRN CC(C)[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](C)O ZINC000792167542 629404258 /nfs/dbraw/zinc/40/42/58/629404258.db2.gz JUNHANJJACPSRI-VIFPVBQESA-N 0 0 275.751 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SIZGYWGPPXIKHT-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2CCC(F)(F)C2)c1O ZINC000797942828 630128428 /nfs/dbraw/zinc/12/84/28/630128428.db2.gz JECJOLDHQQRGLJ-JTQLQIEISA-N 0 0 299.317 2.843 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2CCC(F)(F)C2)c(O)c1 ZINC000798006539 630141197 /nfs/dbraw/zinc/14/11/97/630141197.db2.gz QIRMBOUZPDTHPM-JTQLQIEISA-N 0 0 299.317 2.843 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000798075949 630147644 /nfs/dbraw/zinc/14/76/44/630147644.db2.gz YUTRVBWODLSCEP-YWPYICTPSA-N 0 0 275.396 2.911 20 10 CFCDRN C[C@@H]([NH2+]CC1(CO)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798183605 630162057 /nfs/dbraw/zinc/16/20/57/630162057.db2.gz ONDFZNYGARJEKJ-SECBINFHSA-N 0 0 289.297 2.834 20 10 CFCDRN C[C@H](CNC(=O)c1c(F)ccc(O)c1O)CC(F)(F)F ZINC000839850455 630165157 /nfs/dbraw/zinc/16/51/57/630165157.db2.gz SJUSTRYYGFIUBF-LURJTMIESA-N 0 0 295.232 2.555 20 10 CFCDRN CCOc1ccc(CNc2cncc(F)c2)c(O)c1 ZINC000798430281 630190971 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/nfs/dbraw/zinc/42/07/84/630420784.db2.gz DUCKFZNVWRVGAY-SSDOTTSWSA-N 0 0 281.249 2.950 20 10 CFCDRN CO[C@@H](COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000801837123 630475685 /nfs/dbraw/zinc/47/56/85/630475685.db2.gz AJFHKXVPDBXMST-LBPRGKRZSA-N 0 0 278.329 2.998 20 10 CFCDRN CCN(CC)c1ccc(CN2CCOCC23CC3)cc1 ZINC000802658934 630536952 /nfs/dbraw/zinc/53/69/52/630536952.db2.gz UYCMDJVJUBOKNS-UHFFFAOYSA-N 0 0 274.408 2.898 20 10 CFCDRN COc1cccc(C2(C(=O)NCc3ccccc3O)CC2)c1 ZINC000802776925 630545230 /nfs/dbraw/zinc/54/52/30/630545230.db2.gz CASUTMPSYFZKSH-UHFFFAOYSA-N 0 0 297.354 2.749 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C)(C)C1 ZINC000803090183 630583717 /nfs/dbraw/zinc/58/37/17/630583717.db2.gz WQSZAMWNNPTTAT-SNVBAGLBSA-N 0 0 277.364 2.581 20 10 CFCDRN CC1(C)CC[C@H](COC(=O)C2=CC(=O)CS2)O1 ZINC000803346726 630604225 /nfs/dbraw/zinc/60/42/25/630604225.db2.gz XRIXWHNODDSKRH-SECBINFHSA-N 0 0 256.323 2.568 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806137016 630771343 /nfs/dbraw/zinc/77/13/43/630771343.db2.gz GBIZJAACTKOWQW-GXFFZTMASA-N 0 0 268.788 2.790 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NOC2CCC2)cc1 ZINC000836241669 630779165 /nfs/dbraw/zinc/77/91/65/630779165.db2.gz IMALLOJFTCNANS-UHFFFAOYSA-N 0 0 291.395 2.816 20 10 CFCDRN C[C@@H](NC(=O)NOC1CCC1)c1ccc(N(C)C)cc1 ZINC000836407452 630811591 /nfs/dbraw/zinc/81/15/91/630811591.db2.gz ZQGKRHIWYXGBCQ-LLVKDONJSA-N 0 0 277.368 2.597 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cccnc1F ZINC000806851774 630842074 /nfs/dbraw/zinc/84/20/74/630842074.db2.gz XNGIRUANDHDNHT-UHFFFAOYSA-N 0 0 297.380 2.589 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)NOC1CCC1 ZINC000836569254 630849716 /nfs/dbraw/zinc/84/97/16/630849716.db2.gz CCYUHBCXBPGXRS-UHFFFAOYSA-N 0 0 290.363 2.554 20 10 CFCDRN C[C@H](NC(=O)c1cccnc1F)c1ccc(N(C)C)cc1 ZINC000807273813 630873334 /nfs/dbraw/zinc/87/33/34/630873334.db2.gz AHLCJJLZRHWCFB-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)COCC1CCCC1 ZINC000836763413 630878562 /nfs/dbraw/zinc/87/85/62/630878562.db2.gz VADSONQZOVDHEE-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C)C2CCC2)c(O)c1O ZINC000836847091 630899285 /nfs/dbraw/zinc/89/92/85/630899285.db2.gz BWNVGEYOPHTSRI-UHFFFAOYSA-N 0 0 263.337 2.715 20 10 CFCDRN CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]1C(C)C ZINC000836888066 630908719 /nfs/dbraw/zinc/90/87/19/630908719.db2.gz ITBLFLROTXLEPY-GXTWGEPZSA-N 0 0 277.364 2.850 20 10 CFCDRN CC(=O)C(=O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000808021602 630942473 /nfs/dbraw/zinc/94/24/73/630942473.db2.gz ALZFASAHYRZEOH-UHFFFAOYSA-N 0 0 299.282 2.799 20 10 CFCDRN CC(=O)C(=O)CSc1nc2cc(F)cc(Cl)c2o1 ZINC000808034211 630943342 /nfs/dbraw/zinc/94/33/42/630943342.db2.gz SGUOJTACYHQALS-UHFFFAOYSA-N 0 0 287.699 2.871 20 10 CFCDRN CC(=O)C(=O)COc1cc(Br)ccc1Cl ZINC000808028153 630943682 /nfs/dbraw/zinc/94/36/82/630943682.db2.gz IMCKUDBHOURSDU-UHFFFAOYSA-N 0 0 291.528 2.639 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1occc1C ZINC000808094990 630949535 /nfs/dbraw/zinc/94/95/35/630949535.db2.gz NGJVOYNVCQAHFL-UHFFFAOYSA-N 0 0 280.320 2.709 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1cn(C(C)C)nn1 ZINC000808389324 630985240 /nfs/dbraw/zinc/98/52/40/630985240.db2.gz QLZZLXQONAFKJC-UHFFFAOYSA-N 0 0 287.411 2.523 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1=CCCOC1 ZINC000808430180 630990746 /nfs/dbraw/zinc/99/07/46/630990746.db2.gz MPDJHSJAEMDXHK-UHFFFAOYSA-N 0 0 271.719 2.621 20 10 CFCDRN CCCCCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1 ZINC000808488637 631001461 /nfs/dbraw/zinc/00/14/61/631001461.db2.gz MAEUJOVXOKNGQC-UHFFFAOYSA-N 0 0 292.331 2.571 20 10 CFCDRN CSCC1(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000855398260 635532679 /nfs/dbraw/zinc/53/26/79/635532679.db2.gz VOHYWJHVUUHBDS-UHFFFAOYSA-N 0 0 271.407 2.717 20 10 CFCDRN CCC(=CC(=O)OCC(=O)C(C)=O)c1cccc(Cl)c1 ZINC000808523658 631007440 /nfs/dbraw/zinc/00/74/40/631007440.db2.gz IIDWWWCKLKZKDO-FLIBITNWSA-N 0 0 294.734 2.835 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000808715316 631033910 /nfs/dbraw/zinc/03/39/10/631033910.db2.gz JTAABVRIFJRBBU-VHSXEESVSA-N 0 0 294.786 2.894 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1[nH]ccc1C1CC1 ZINC000837467002 631038062 /nfs/dbraw/zinc/03/80/62/631038062.db2.gz DDRKMQUUHCWSBY-UHFFFAOYSA-N 0 0 270.332 2.870 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)CC(F)(F)F)c1 ZINC000837484953 631045219 /nfs/dbraw/zinc/04/52/19/631045219.db2.gz JPSKNMALDJYCPE-QMMMGPOBSA-N 0 0 291.269 2.606 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000840764062 631220354 /nfs/dbraw/zinc/22/03/54/631220354.db2.gz OSAGQTWHSPMXLM-CQSZACIVSA-N 0 0 277.343 2.548 20 10 CFCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1O ZINC000042186160 649996216 /nfs/dbraw/zinc/99/62/16/649996216.db2.gz BIZFDJHZQBWVJK-INIZCTEOSA-N 0 0 298.342 2.987 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840835723 631236440 /nfs/dbraw/zinc/23/64/40/631236440.db2.gz OSCNKVQHEWNSON-MNOVXSKESA-N 0 0 282.340 2.624 20 10 CFCDRN Cc1cc(CNCc2c(O)cc(C)cc2Cl)on1 ZINC000840890600 631252973 /nfs/dbraw/zinc/25/29/73/631252973.db2.gz PGGLVMSQZNBQDQ-UHFFFAOYSA-N 0 0 266.728 2.940 20 10 CFCDRN Oc1cccc2c1[C@@H](NCc1nnc(C3CC3)s1)CC2 ZINC000840890177 631253516 /nfs/dbraw/zinc/25/35/16/631253516.db2.gz JWMCZZNZOKIEEX-NSHDSACASA-N 0 0 287.388 2.898 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1OC ZINC000809639432 631253821 /nfs/dbraw/zinc/25/38/21/631253821.db2.gz MOOSXHZCSJRHIC-UHFFFAOYSA-N 0 0 290.367 2.513 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840909272 631258439 /nfs/dbraw/zinc/25/84/39/631258439.db2.gz FSTHMMZMMYNJLV-INIZCTEOSA-N 0 0 262.397 2.672 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](CF)C2)c(Cl)c1 ZINC000840955421 631282491 /nfs/dbraw/zinc/28/24/91/631282491.db2.gz UUAYDFGSKSUNOD-JTQLQIEISA-N 0 0 273.735 2.524 20 10 CFCDRN CCn1ccc(CNCc2ccc(N(C)C)cc2C)n1 ZINC000840955747 631283707 /nfs/dbraw/zinc/28/37/07/631283707.db2.gz WMGXHOCTFPKLKL-UHFFFAOYSA-N 0 0 272.396 2.567 20 10 CFCDRN CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809767180 631284891 /nfs/dbraw/zinc/28/48/91/631284891.db2.gz GSUSJXYAKAVSBM-LBPRGKRZSA-N 0 0 271.788 2.884 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCOCC(F)(F)C1 ZINC000809788037 631289161 /nfs/dbraw/zinc/28/91/61/631289161.db2.gz LTHGZQLOEIVAGN-UHFFFAOYSA-N 0 0 295.688 2.652 20 10 CFCDRN CCC[N@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)c(F)c1 ZINC000840997791 631298214 /nfs/dbraw/zinc/29/82/14/631298214.db2.gz DMCCATYYSCAENB-UHFFFAOYSA-N 0 0 296.386 2.969 20 10 CFCDRN CCCCCCNC(=O)COc1ccc(N(C)C)cc1 ZINC000810000208 631311648 /nfs/dbraw/zinc/31/16/48/631311648.db2.gz FFULKOQAPPYKPH-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN CCN(C)c1ccc(CNc2ccc(N)cc2)cn1 ZINC000841040543 631317433 /nfs/dbraw/zinc/31/74/33/631317433.db2.gz STFPRINDDBEKHU-UHFFFAOYSA-N 0 0 256.353 2.732 20 10 CFCDRN CCc1csc(NC(=O)NCCc2ccc(N)cc2)n1 ZINC000841132608 631344368 /nfs/dbraw/zinc/34/43/68/631344368.db2.gz YQETWBWCDMJFAI-UHFFFAOYSA-N 0 0 290.392 2.652 20 10 CFCDRN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810245325 631349780 /nfs/dbraw/zinc/34/97/80/631349780.db2.gz YYDNFQFALKJNFB-NWDGAFQWSA-N 0 0 295.383 2.680 20 10 CFCDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841298447 631377445 /nfs/dbraw/zinc/37/74/45/631377445.db2.gz PRMRBSIRGIZMEU-KBPBESRZSA-N 0 0 291.395 2.984 20 10 CFCDRN C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000841296503 631377475 /nfs/dbraw/zinc/37/74/75/631377475.db2.gz FPSRLALQHIWGRM-GZMMTYOYSA-N 0 0 271.324 2.759 20 10 CFCDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841298595 631377587 /nfs/dbraw/zinc/37/75/87/631377587.db2.gz BRTGATXBNKMAAH-DOMZBBRYSA-N 0 0 291.395 2.842 20 10 CFCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)C1(CO)CCC1 ZINC000841299300 631377615 /nfs/dbraw/zinc/37/76/15/631377615.db2.gz ZORLKLNXQPOTCQ-AWEZNQCLSA-N 0 0 291.395 2.578 20 10 CFCDRN CC1(C)C[C@@H](CNC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841298455 631378340 /nfs/dbraw/zinc/37/83/40/631378340.db2.gz PXQYVBBKTRZSIN-NSHDSACASA-N 0 0 277.368 2.596 20 10 CFCDRN CCCCN(CCOC)C(=O)Nc1ccc(N)cc1 ZINC000841300827 631378720 /nfs/dbraw/zinc/37/87/20/631378720.db2.gz WOJNAVKWYBTOOD-UHFFFAOYSA-N 0 0 265.357 2.549 20 10 CFCDRN CN(C(=O)Nc1ccc(N)cc1)C(C1CC1)C1CC1 ZINC000841301559 631379257 /nfs/dbraw/zinc/37/92/57/631379257.db2.gz UKELMZMYLFYIER-UHFFFAOYSA-N 0 0 259.353 2.921 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000841737174 631462242 /nfs/dbraw/zinc/46/22/42/631462242.db2.gz CUWPUPSXKWKWGY-IRXDYDNUSA-N 0 0 295.386 2.667 20 10 CFCDRN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747427 631464127 /nfs/dbraw/zinc/46/41/27/631464127.db2.gz AVVQLPMMCSLBTN-CLFVBBPSSA-N 0 0 289.828 2.853 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841751858 631465345 /nfs/dbraw/zinc/46/53/45/631465345.db2.gz KZEFAMYDQIZGTD-HOSYDEDBSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1[O-] ZINC000841751372 631465792 /nfs/dbraw/zinc/46/57/92/631465792.db2.gz MOKBWASFYVGXRA-DLOVCJGASA-N 0 0 269.772 3.000 20 10 CFCDRN CCC[C@H](CC)NC(=O)NCCc1ccc(N)cc1 ZINC000841753928 631466576 /nfs/dbraw/zinc/46/65/76/631466576.db2.gz OKRZHBWUUCFTPO-AWEZNQCLSA-N 0 0 263.385 2.689 20 10 CFCDRN C[C@@H]1CC(NC(=O)NCCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000841830636 631477859 /nfs/dbraw/zinc/47/78/59/631477859.db2.gz KEJMAQGSFXWQGF-STQMWFEESA-N 0 0 289.423 2.935 20 10 CFCDRN CSCC[C@@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841954991 631495596 /nfs/dbraw/zinc/49/55/96/631495596.db2.gz SMRXFJYQNJGAAI-GFCCVEGCSA-N 0 0 295.452 2.594 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000841955559 631495806 /nfs/dbraw/zinc/49/58/06/631495806.db2.gz GPUPWTGQRZSWFX-HNNXBMFYSA-N 0 0 289.423 2.887 20 10 CFCDRN C[C@@H](N(C)C(=O)NCCc1ccc(N)cc1)C1(C)CC1 ZINC000841958837 631496222 /nfs/dbraw/zinc/49/62/22/631496222.db2.gz UEJYTGBBOHHXJX-GFCCVEGCSA-N 0 0 275.396 2.641 20 10 CFCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841957000 631496248 /nfs/dbraw/zinc/49/62/48/631496248.db2.gz DCVLHNYXKJWJBP-IUODEOHRSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@@H]1CC[C@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841957485 631496343 /nfs/dbraw/zinc/49/63/43/631496343.db2.gz KLWPEEKBWIKYRV-QWHCGFSZSA-N 0 0 275.396 2.641 20 10 CFCDRN CO[C@@H](COC(=O)C1=CC(=O)CS1)CC(C)C ZINC000842075431 631525967 /nfs/dbraw/zinc/52/59/67/631525967.db2.gz RUHKLQGUYPXWFH-SNVBAGLBSA-N 0 0 258.339 2.672 20 10 CFCDRN CC(=O)C(=O)COC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC000842138602 631550907 /nfs/dbraw/zinc/55/09/07/631550907.db2.gz IMPNVXNPPJPPHL-IFYTVOTQSA-N 0 0 280.364 2.706 20 10 CFCDRN CC[C@@H](CN1CCCc2cc(OC)cc(OC)c21)OC ZINC000842158689 631556203 /nfs/dbraw/zinc/55/62/03/631556203.db2.gz YTAPMRIKOUKQDF-ZDUSSCGKSA-N 0 0 279.380 2.881 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCCc2n[nH]cc21 ZINC000811497499 631571461 /nfs/dbraw/zinc/57/14/61/631571461.db2.gz PZBXXHLZWRPQGD-UHFFFAOYSA-N 0 0 263.728 2.722 20 10 CFCDRN COc1ccc(O)c(CNc2ccsc2[N+](=O)[O-])c1 ZINC000811805866 631625187 /nfs/dbraw/zinc/62/51/87/631625187.db2.gz DTHCWNKJBGWIMW-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN CO[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000811905315 631639304 /nfs/dbraw/zinc/63/93/04/631639304.db2.gz AVKNDALLYKHYKA-FRRDWIJNSA-N 0 0 293.411 2.536 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000840244529 631647778 /nfs/dbraw/zinc/64/77/78/631647778.db2.gz OTHCOMPJLIUIQT-HUUCEWRRSA-N 0 0 299.374 2.701 20 10 CFCDRN COC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000812448715 631720186 /nfs/dbraw/zinc/72/01/86/631720186.db2.gz CDUBVTRYCOGCQO-ZIAGYGMSSA-N 0 0 292.423 2.630 20 10 CFCDRN COC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000812448711 631720213 /nfs/dbraw/zinc/72/02/13/631720213.db2.gz CDUBVTRYCOGCQO-KGLIPLIRSA-N 0 0 292.423 2.630 20 10 CFCDRN CC1(C)[C@H](O)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000812779602 631771617 /nfs/dbraw/zinc/77/16/17/631771617.db2.gz SYSTUUAYPIDGLG-LLVKDONJSA-N 0 0 273.735 2.530 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000842912710 631780533 /nfs/dbraw/zinc/78/05/33/631780533.db2.gz VCOMHLKNBWUHSL-JHJVBQTASA-N 0 0 285.771 2.500 20 10 CFCDRN C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000843045810 631813251 /nfs/dbraw/zinc/81/32/51/631813251.db2.gz KTAQYRHGNRBQQW-GWCFXTLKSA-N 0 0 268.788 2.747 20 10 CFCDRN CC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000843050634 631814779 /nfs/dbraw/zinc/81/47/79/631814779.db2.gz NBYTYLUXYFPLFM-BXKDBHETSA-N 0 0 286.778 2.744 20 10 CFCDRN CCCN(Cc1cccc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843052165 631816320 /nfs/dbraw/zinc/81/63/20/631816320.db2.gz IWXVMAYKOLRUCD-LBPRGKRZSA-N 0 0 268.788 2.620 20 10 CFCDRN COCCC[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158263 631869895 /nfs/dbraw/zinc/86/98/95/631869895.db2.gz AQWASDATGNZHQA-LLVKDONJSA-N 0 0 275.352 2.773 20 10 CFCDRN C[C@@H](OCC1CC1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159233 631870173 /nfs/dbraw/zinc/87/01/73/631870173.db2.gz NKEUXYNXWBASSD-SNVBAGLBSA-N 0 0 273.336 2.730 20 10 CFCDRN CCCSCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160124 631871437 /nfs/dbraw/zinc/87/14/37/631871437.db2.gz VYAMPBIGAJFAIS-UHFFFAOYSA-N 0 0 263.366 2.886 20 10 CFCDRN Cn1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1C1CC1 ZINC000843160218 631871454 /nfs/dbraw/zinc/87/14/54/631871454.db2.gz GPJKLLZKMGBEAQ-UHFFFAOYSA-N 0 0 295.346 2.521 20 10 CFCDRN COC(=O)[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])CC(C)C ZINC000813332970 631905043 /nfs/dbraw/zinc/90/50/43/631905043.db2.gz HFOYFVNIIJIZAE-GFCCVEGCSA-N 0 0 299.798 2.971 20 10 CFCDRN CC[C@H]([NH2+][C@H](CCO)CSC)c1ccccc1O ZINC000155980174 650039720 /nfs/dbraw/zinc/03/97/20/650039720.db2.gz MVIIRIKSLCFUFA-YPMHNXCESA-N 0 0 269.410 2.547 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000843433777 631958920 /nfs/dbraw/zinc/95/89/20/631958920.db2.gz CUNAYOOCXRXQOO-ZMLRMANQSA-N 0 0 292.335 2.587 20 10 CFCDRN Nc1ccc(CC(=O)Nc2cnc3c(c2)CCCC3)cc1 ZINC000843494644 631967312 /nfs/dbraw/zinc/96/73/12/631967312.db2.gz TXUBYSLMRWTXBU-UHFFFAOYSA-N 0 0 281.359 2.724 20 10 CFCDRN CC[C@@H]([NH2+]C1COCCOC1)c1cccc(Cl)c1[O-] ZINC000813880773 631972123 /nfs/dbraw/zinc/97/21/23/631972123.db2.gz OPYUPBVSPCYCLJ-CYBMUJFWSA-N 0 0 285.771 2.502 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C(F)F)CCCC1 ZINC000813887434 631973253 /nfs/dbraw/zinc/97/32/53/631973253.db2.gz JIPBLBUBEADRBM-XQRVVYSFSA-N 0 0 297.301 2.805 20 10 CFCDRN CCc1noc(NCc2c(O)cccc2Cl)n1 ZINC000814255244 632046666 /nfs/dbraw/zinc/04/66/66/632046666.db2.gz CXQAYCFPTOPTDM-UHFFFAOYSA-N 0 0 253.689 2.603 20 10 CFCDRN CC1=C(C)C[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000843832394 632064002 /nfs/dbraw/zinc/06/40/02/632064002.db2.gz WUHJOLSBTKXUGZ-CYBMUJFWSA-N 0 0 275.348 2.851 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)F)CC2)c1 ZINC000843830249 632064304 /nfs/dbraw/zinc/06/43/04/632064304.db2.gz FAKFRHMBFZDZGF-MRVPVSSYSA-N 0 0 285.290 2.623 20 10 CFCDRN CC(C)[C@H]1N(C(=O)c2cccc(O)c2O)CC12CC=CC2 ZINC000844094799 632117384 /nfs/dbraw/zinc/11/73/84/632117384.db2.gz CFXLBXQGHYZCJQ-OAHLLOKOSA-N 0 0 287.359 2.915 20 10 CFCDRN CC[C@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844281163 632154406 /nfs/dbraw/zinc/15/44/06/632154406.db2.gz MNFLMPDYOWNOTM-ZDUSSCGKSA-N 0 0 293.411 2.571 20 10 CFCDRN CC(C)(C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844281066 632154573 /nfs/dbraw/zinc/15/45/73/632154573.db2.gz JJRPWZRMKYQKNA-UHFFFAOYSA-N 0 0 256.733 2.643 20 10 CFCDRN COc1ccc(C[NH2+]C[C@@H](CC2CC2)C(=O)[O-])cc1C ZINC000844294317 632158786 /nfs/dbraw/zinc/15/87/86/632158786.db2.gz VFSRIJFQGDWAFM-CQSZACIVSA-N 0 0 277.364 2.594 20 10 CFCDRN CN(Cc1cc2n(n1)CCCC2)c1ccc2c(c1)OCO2 ZINC000844310270 632164879 /nfs/dbraw/zinc/16/48/79/632164879.db2.gz QMRHTKBIZNCUIO-UHFFFAOYSA-N 0 0 285.347 2.585 20 10 CFCDRN Cc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1F ZINC000105507018 632172070 /nfs/dbraw/zinc/17/20/70/632172070.db2.gz HYCHIABFECOEBB-POHAHGRESA-N 0 0 267.350 2.965 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000844353723 632177550 /nfs/dbraw/zinc/17/75/50/632177550.db2.gz XMISQWAQUDJFNN-OKILXGFUSA-N 0 0 290.407 2.636 20 10 CFCDRN COc1ccc(N(C)Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000844353325 632177961 /nfs/dbraw/zinc/17/79/61/632177961.db2.gz NCXOWGOTAOTIJY-UHFFFAOYSA-N 0 0 296.374 2.922 20 10 CFCDRN CC[C@H]1CCCCN1C(=O)CN(C)c1ccc(OC)cc1 ZINC000844353725 632178004 /nfs/dbraw/zinc/17/80/04/632178004.db2.gz XNGVTAHFAIHULA-AWEZNQCLSA-N 0 0 290.407 2.923 20 10 CFCDRN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815160403 632220453 /nfs/dbraw/zinc/22/04/53/632220453.db2.gz ZBOLLRNKUYPMQU-YMTOWFKASA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@@H]1CC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000815222395 632232652 /nfs/dbraw/zinc/23/26/52/632232652.db2.gz OVWXTRZEWNESLU-STBQQDIQSA-N 0 0 262.305 2.843 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000815359212 632256852 /nfs/dbraw/zinc/25/68/52/632256852.db2.gz YRZQPCSSARVJFL-HNNXBMFYSA-N 0 0 290.359 2.593 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598266 632295205 /nfs/dbraw/zinc/29/52/05/632295205.db2.gz QGKXUMOWEMLALP-DTWKUNHWSA-N 0 0 275.270 2.851 20 10 CFCDRN CC[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628579 632302077 /nfs/dbraw/zinc/30/20/77/632302077.db2.gz FBYGWFVIQKBZRS-IUCAKERBSA-N 0 0 277.286 2.833 20 10 CFCDRN Cc1nsc(C)c1C(=O)N(C)Cc1ccccc1O ZINC000815797033 632321273 /nfs/dbraw/zinc/32/12/73/632321273.db2.gz YEMWYHNBOODNIE-UHFFFAOYSA-N 0 0 276.361 2.738 20 10 CFCDRN CC1(C)CC(CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000815833983 632325258 /nfs/dbraw/zinc/32/52/58/632325258.db2.gz NOKJUSJOQCGAJA-UHFFFAOYSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CC3CCC2CC3)c1O ZINC000815834490 632325588 /nfs/dbraw/zinc/32/55/88/632325588.db2.gz LIMYJEQESOGARD-ORHYLEIMSA-N 0 0 289.375 2.843 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]1C1CC1 ZINC000845167776 632379065 /nfs/dbraw/zinc/37/90/65/632379065.db2.gz ABOFMUONUVQWJE-NWDGAFQWSA-N 0 0 280.755 2.643 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]1C1CC1 ZINC000845247133 632395271 /nfs/dbraw/zinc/39/52/71/632395271.db2.gz FEPIDSJBCCQFFG-GWCFXTLKSA-N 0 0 294.782 2.891 20 10 CFCDRN CCC1(O)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816514571 632475767 /nfs/dbraw/zinc/47/57/67/632475767.db2.gz BEQLULPNIGTVJE-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CCOCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530519 632479819 /nfs/dbraw/zinc/47/98/19/632479819.db2.gz KZDBDAGUZOEAJA-UHFFFAOYSA-N 0 0 261.724 2.701 20 10 CFCDRN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816567735 632486743 /nfs/dbraw/zinc/48/67/43/632486743.db2.gz KNXOJHSNRZVQBJ-AMIZOPFISA-N 0 0 273.735 2.842 20 10 CFCDRN NC(=O)Nc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000816623789 632497442 /nfs/dbraw/zinc/49/74/42/632497442.db2.gz JSLVNCUTMBAFKC-UHFFFAOYSA-N 0 0 293.273 2.773 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)O ZINC000816653134 632504681 /nfs/dbraw/zinc/50/46/81/632504681.db2.gz HMNAWGLGRYTYQI-NSHDSACASA-N 0 0 275.751 2.824 20 10 CFCDRN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)[N@H+]1C ZINC000816653383 632505228 /nfs/dbraw/zinc/50/52/28/632505228.db2.gz PWDIQWBZENBBSR-AOOOYVTPSA-N 0 0 286.778 2.709 20 10 CFCDRN CC[C@H]1C[N@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816660434 632505862 /nfs/dbraw/zinc/50/58/62/632505862.db2.gz DUHKKDYRFNQOAU-JTQLQIEISA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000816667677 632509940 /nfs/dbraw/zinc/50/99/40/632509940.db2.gz UFCPMDBESJJSSL-SECBINFHSA-N 0 0 273.735 2.532 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H]3C[C@H]32)cc1 ZINC000816899638 632532122 /nfs/dbraw/zinc/53/21/22/632532122.db2.gz XMQWPUXXYGFSOA-SJORKVTESA-N 0 0 296.370 2.707 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C2CC2)CC1 ZINC000816906600 632533850 /nfs/dbraw/zinc/53/38/50/632533850.db2.gz ORZZFZJILLFTHD-QHHAFSJGSA-N 0 0 287.359 2.760 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCCF)cc12 ZINC000817151916 632564354 /nfs/dbraw/zinc/56/43/54/632564354.db2.gz GRAYSWXAOACPEL-UHFFFAOYSA-N 0 0 299.367 2.863 20 10 CFCDRN C[C@H]1CCCc2ncc(C(=O)N(C)Cc3ccccc3O)n21 ZINC000845792550 632566321 /nfs/dbraw/zinc/56/63/21/632566321.db2.gz YRMXFABTNWIPDG-LBPRGKRZSA-N 0 0 299.374 2.758 20 10 CFCDRN CCC[C@@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000845860431 632584873 /nfs/dbraw/zinc/58/48/73/632584873.db2.gz XOKBAZBJJFNJBI-CYBMUJFWSA-N 0 0 298.452 2.669 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000845911860 632597079 /nfs/dbraw/zinc/59/70/79/632597079.db2.gz PAUZDOINJYSKBF-QWHCGFSZSA-N 0 0 298.452 2.922 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000845930529 632599844 /nfs/dbraw/zinc/59/98/44/632599844.db2.gz LZRWZXCHYBLMQI-YRGRVCCFSA-N 0 0 291.391 2.971 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000845999356 632610651 /nfs/dbraw/zinc/61/06/51/632610651.db2.gz IADZJGJFTKRZKU-UHFFFAOYSA-N 0 0 292.335 2.828 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)OCCCF ZINC000845997040 632610747 /nfs/dbraw/zinc/61/07/47/632610747.db2.gz WSBLHCTTXJYORY-UHFFFAOYSA-N 0 0 261.680 2.631 20 10 CFCDRN C[C@H]1C[C@H](CO)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413252 632624483 /nfs/dbraw/zinc/62/44/83/632624483.db2.gz UWLZOERPYKOJTJ-UWVGGRQHSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412653 632624760 /nfs/dbraw/zinc/62/47/60/632624760.db2.gz NRLHPWXRVATEFX-VHSXEESVSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412110 632624825 /nfs/dbraw/zinc/62/48/25/632624825.db2.gz CZCPZPAHNAZUOX-VHSXEESVSA-N 0 0 287.762 2.635 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000846055183 632625799 /nfs/dbraw/zinc/62/57/99/632625799.db2.gz JPEKXUPCRZAPEL-UHFFFAOYSA-N 0 0 292.335 2.731 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)c(O)c1 ZINC000846061388 632627800 /nfs/dbraw/zinc/62/78/00/632627800.db2.gz ODTJMWDSVWTBLV-GJZGRUSLSA-N 0 0 289.375 2.843 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1cccc(OC)c1O ZINC000817549279 632660359 /nfs/dbraw/zinc/66/03/59/632660359.db2.gz IFBWGTBRDZSEJY-UHFFFAOYSA-N 0 0 288.347 2.611 20 10 CFCDRN COC1([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000817587218 632671101 /nfs/dbraw/zinc/67/11/01/632671101.db2.gz CSZFRGBMFRFNPP-RYUDHWBXSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000817586005 632671170 /nfs/dbraw/zinc/67/11/70/632671170.db2.gz KVGSISUTXUVKPM-NQBHXWOUSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000817585520 632671469 /nfs/dbraw/zinc/67/14/69/632671469.db2.gz FWLUENUUDYJCTK-LLVKDONJSA-N 0 0 267.344 2.877 20 10 CFCDRN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc(Cl)c1[O-] ZINC000817587167 632671530 /nfs/dbraw/zinc/67/15/30/632671530.db2.gz VQBMCSMOZASQGC-GFCCVEGCSA-N 0 0 296.798 2.742 20 10 CFCDRN CC[C@@H]([NH2+]C1CCN(OC)CC1)c1ccc(F)cc1[O-] ZINC000817589138 632672511 /nfs/dbraw/zinc/67/25/11/632672511.db2.gz UQJVBXVXXYFXQC-CQSZACIVSA-N 0 0 282.359 2.598 20 10 CFCDRN CCN(C)c1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846276840 632681647 /nfs/dbraw/zinc/68/16/47/632681647.db2.gz XQEYMLRCDWARIE-CYBMUJFWSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846281397 632684314 /nfs/dbraw/zinc/68/43/14/632684314.db2.gz XKHCAFCYRUZGFH-MLGOLLRUSA-N 0 0 290.407 2.746 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(C)c3)cc12 ZINC000817761055 632709545 /nfs/dbraw/zinc/70/95/45/632709545.db2.gz KTGLKLVTMZCKCX-UHFFFAOYSA-N 0 0 283.331 2.748 20 10 CFCDRN Cc1c(Cl)c(CNc2ccc(N)cc2)nn1C ZINC000817864948 632714762 /nfs/dbraw/zinc/71/47/62/632714762.db2.gz SGKWINFNOGXYHY-UHFFFAOYSA-N 0 0 250.733 2.576 20 10 CFCDRN CC(C)n1cc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846473688 632715720 /nfs/dbraw/zinc/71/57/20/632715720.db2.gz OBDIKXGBWFNEEB-UHFFFAOYSA-N 0 0 293.754 2.753 20 10 CFCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474658 632715939 /nfs/dbraw/zinc/71/59/39/632715939.db2.gz YRTCQUAQOYEOIL-VHSXEESVSA-N 0 0 295.766 2.667 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000846477443 632717643 /nfs/dbraw/zinc/71/76/43/632717643.db2.gz UEBNFEPIXMJZJO-PJXYFTJBSA-N 0 0 265.740 2.708 20 10 CFCDRN Cc1noc(C)c1CC(=O)NCc1cc(Cl)ccc1O ZINC000846478822 632718557 /nfs/dbraw/zinc/71/85/57/632718557.db2.gz FHZQEQVDOIDBLW-UHFFFAOYSA-N 0 0 294.738 2.509 20 10 CFCDRN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955377 632754778 /nfs/dbraw/zinc/75/47/78/632754778.db2.gz XBOAGQHCJRKOJU-NHYWBVRUSA-N 0 0 274.339 2.882 20 10 CFCDRN CC(C)C[C@H](CN)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959515 632757852 /nfs/dbraw/zinc/75/78/52/632757852.db2.gz SFBFSCBDKNUJPY-MWLCHTKSSA-N 0 0 272.339 2.694 20 10 CFCDRN CCCC[C@@H](CN)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817962781 632761695 /nfs/dbraw/zinc/76/16/95/632761695.db2.gz PKUYFMLUGABZRG-KOLCDFICSA-N 0 0 272.339 2.839 20 10 CFCDRN COc1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000846745580 632781699 /nfs/dbraw/zinc/78/16/99/632781699.db2.gz JWJICGKOVYCZAT-UHFFFAOYSA-N 0 0 299.374 2.539 20 10 CFCDRN CCOCCOCCN(C)c1ccc(OC(C)C)cc1 ZINC000846752447 632784956 /nfs/dbraw/zinc/78/49/56/632784956.db2.gz OQDTWBMEKSQKTB-UHFFFAOYSA-N 0 0 281.396 2.963 20 10 CFCDRN Cc1ccc(C(=O)NC2CC(C(C)(C)C)C2)c(O)c1O ZINC000818147331 632805880 /nfs/dbraw/zinc/80/58/80/632805880.db2.gz GIHUSOHUPGXYBX-UHFFFAOYSA-N 0 0 277.364 2.961 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1 ZINC000818231760 632817950 /nfs/dbraw/zinc/81/79/50/632817950.db2.gz ZIQIMARPHVKANI-QWHCGFSZSA-N 0 0 262.309 2.579 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(OC)cc1O ZINC000846950478 632856933 /nfs/dbraw/zinc/85/69/33/632856933.db2.gz OXXOJNQNQZGUFC-OAHLLOKOSA-N 0 0 283.343 2.935 20 10 CFCDRN C/C(=C\C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000818545128 632863622 /nfs/dbraw/zinc/86/36/22/632863622.db2.gz KGBVYNVPVBRXIZ-VAWYXSNFSA-N 0 0 260.381 2.920 20 10 CFCDRN CCc1c(C(=O)Nc2ccc(N)cc2)cnn1CC(C)C ZINC000818556338 632865392 /nfs/dbraw/zinc/86/53/92/632865392.db2.gz MZWBJMRPKHMZES-UHFFFAOYSA-N 0 0 286.379 2.936 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000818630660 632884714 /nfs/dbraw/zinc/88/47/14/632884714.db2.gz XMSFFBIWGJYLFR-LLVKDONJSA-N 0 0 285.771 2.882 20 10 CFCDRN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(O)c1O ZINC000818731120 632895537 /nfs/dbraw/zinc/89/55/37/632895537.db2.gz PDMROSXHQHCSLI-GFCCVEGCSA-N 0 0 299.326 2.854 20 10 CFCDRN CC[C@H](C)[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165787 632994047 /nfs/dbraw/zinc/99/40/47/632994047.db2.gz ZYWQQWYMNPBUMJ-NWDGAFQWSA-N 0 0 290.363 2.591 20 10 CFCDRN COc1ccccc1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000819394243 633146087 /nfs/dbraw/zinc/14/60/87/633146087.db2.gz UQNBIUMIKZRKNQ-AWEZNQCLSA-N 0 0 275.323 2.850 20 10 CFCDRN Cc1nnc(N[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840383948 633159915 /nfs/dbraw/zinc/15/99/15/633159915.db2.gz BTEHILMYYOHBNT-LLVKDONJSA-N 0 0 274.368 2.796 20 10 CFCDRN CSC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819452437 633167093 /nfs/dbraw/zinc/16/70/93/633167093.db2.gz SGUWJHVLNPRKBX-LBPRGKRZSA-N 0 0 267.394 2.611 20 10 CFCDRN CCOCC[C@@H](O)CNc1ccccc1OCC(F)F ZINC000819460514 633169635 /nfs/dbraw/zinc/16/96/35/633169635.db2.gz PBUYBOUOGHMTGA-LLVKDONJSA-N 0 0 289.322 2.530 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCSC12CCCCC2 ZINC000848051312 633195991 /nfs/dbraw/zinc/19/59/91/633195991.db2.gz DSDJUQDPKWTKBY-UHFFFAOYSA-N 0 0 293.388 2.947 20 10 CFCDRN CC(C)[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848639726 633305735 /nfs/dbraw/zinc/30/57/35/633305735.db2.gz KJHOOOYIXGKMON-JFDDCEBESA-N 0 0 290.407 2.712 20 10 CFCDRN COc1c(C)ncnc1NCc1ccc(N(C)C)c(F)c1 ZINC000848659992 633311496 /nfs/dbraw/zinc/31/14/96/633311496.db2.gz ZRYLQJLCTABAQQ-UHFFFAOYSA-N 0 0 290.342 2.611 20 10 CFCDRN CCOC(=O)[C@@H]1CCCCN1Cc1cccc(CC)c1O ZINC000848880268 633357321 /nfs/dbraw/zinc/35/73/21/633357321.db2.gz MXQPPGJOSWNNCF-HNNXBMFYSA-N 0 0 291.391 2.872 20 10 CFCDRN CCOc1cccc(CN(C)[C@H](C)c2nc(C)no2)c1O ZINC000848925740 633408557 /nfs/dbraw/zinc/40/85/57/633408557.db2.gz IHACXXNNUOQBLV-SNVBAGLBSA-N 0 0 291.351 2.675 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2cc(Cl)ccc2O)n1 ZINC000848925544 633408588 /nfs/dbraw/zinc/40/85/88/633408588.db2.gz HAFFBVAEFWBKRG-QMMMGPOBSA-N 0 0 281.743 2.930 20 10 CFCDRN COc1ccc2c(c1)CN(Cc1c(O)cccc1OC)C2 ZINC000848925752 633409115 /nfs/dbraw/zinc/40/91/15/633409115.db2.gz JCJLGJFXVNWNSE-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN C[C@@H](O)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000848928448 633411074 /nfs/dbraw/zinc/41/10/74/633411074.db2.gz DOTPRBRHSLRDAU-MRVPVSSYSA-N 0 0 273.735 2.530 20 10 CFCDRN O=C(NCCCSc1nccs1)Nc1ccccn1 ZINC000115171230 635976600 /nfs/dbraw/zinc/97/66/00/635976600.db2.gz OUDDHEOKUHRZQZ-UHFFFAOYSA-N 0 0 294.405 2.842 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC(=O)[C@H]3C[C@@H](C)CCN32)cc1Cl ZINC000849183462 633580393 /nfs/dbraw/zinc/58/03/93/633580393.db2.gz TVBGQPRACAOPQY-REAQECSSSA-N 0 0 294.782 2.583 20 10 CFCDRN CO[C@@H](COC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000849727504 633691470 /nfs/dbraw/zinc/69/14/70/633691470.db2.gz DWRFFKOMXQWIKI-NSHDSACASA-N 0 0 270.350 2.816 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)N1CCCC1 ZINC000849999014 633786815 /nfs/dbraw/zinc/78/68/15/633786815.db2.gz VNHXEZUTXQJBMO-UHFFFAOYSA-N 0 0 262.787 2.511 20 10 CFCDRN CC(C)n1ccnc1CNCc1ccc2c(c1)CCO2 ZINC000850111868 633844987 /nfs/dbraw/zinc/84/49/87/633844987.db2.gz PDIXZULIMWZFFG-UHFFFAOYSA-N 0 0 271.364 2.689 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000850352121 633950681 /nfs/dbraw/zinc/95/06/81/633950681.db2.gz MJOSBJGRESDQPN-CJNGLKHVSA-N 0 0 297.406 2.674 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)OC)c1cccc(Cl)c1[O-] ZINC000850477818 634008707 /nfs/dbraw/zinc/00/87/07/634008707.db2.gz KOOARKFQFATQMQ-LBPRGKRZSA-N 0 0 272.776 2.580 20 10 CFCDRN CON(C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850478738 634010170 /nfs/dbraw/zinc/01/01/70/634010170.db2.gz FRDBPFSZPZNPHR-MRVPVSSYSA-N 0 0 293.194 2.843 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2C=CCC2)c1 ZINC000850510054 634024055 /nfs/dbraw/zinc/02/40/55/634024055.db2.gz RAUZPKGVZBQADR-PWSUYJOCSA-N 0 0 261.321 2.548 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(F)cc1[O-] ZINC000850513053 634024612 /nfs/dbraw/zinc/02/46/12/634024612.db2.gz BYUIWLOGYRROAR-MFKMUULPSA-N 0 0 267.344 2.733 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1 ZINC000850537315 634042171 /nfs/dbraw/zinc/04/21/71/634042171.db2.gz SVNJIQIWWARGSN-XPTSAGLGSA-N 0 0 299.317 2.875 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(Cl)cc1[O-] ZINC000850545444 634046292 /nfs/dbraw/zinc/04/62/92/634046292.db2.gz GXWRGDQUEHGKAW-CUOATXAZSA-N 0 0 281.783 3.000 20 10 CFCDRN C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850554292 634051043 /nfs/dbraw/zinc/05/10/43/634051043.db2.gz IMLFQSIGMZTWES-XSRFYTQQSA-N 0 0 294.351 2.502 20 10 CFCDRN CCCCCc1cc(C(=O)NCc2ccc(N)cc2)[nH]n1 ZINC000850711226 634065501 /nfs/dbraw/zinc/06/55/01/634065501.db2.gz LTGOGWXPGDCFSN-UHFFFAOYSA-N 0 0 286.379 2.655 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000853035171 634884579 /nfs/dbraw/zinc/88/45/79/634884579.db2.gz OPINXHURCABIOV-OAHLLOKOSA-N 0 0 288.391 2.796 20 10 CFCDRN CCn1nccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000853239105 634948570 /nfs/dbraw/zinc/94/85/70/634948570.db2.gz ACGKXLFIBGKJJC-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN CN1CCCc2cc(CNc3cc(F)ncn3)ccc21 ZINC000853240448 634948731 /nfs/dbraw/zinc/94/87/31/634948731.db2.gz IVGKDYSHOJRKNF-UHFFFAOYSA-N 0 0 272.327 2.610 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000853244354 634949329 /nfs/dbraw/zinc/94/93/29/634949329.db2.gz JIEVEBGIQJEMIU-HOCLYGCPSA-N 0 0 287.407 2.837 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC2(C)C)cc1 ZINC000853244845 634949750 /nfs/dbraw/zinc/94/97/50/634949750.db2.gz PYROSNTZEXVLAM-INIZCTEOSA-N 0 0 275.396 2.740 20 10 CFCDRN Fc1cnc(NCCCSc2nccs2)cn1 ZINC000853326854 634970041 /nfs/dbraw/zinc/97/00/41/634970041.db2.gz QTYPNFHZVDLJLQ-UHFFFAOYSA-N 0 0 270.358 2.667 20 10 CFCDRN CCc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)ncn1 ZINC000853759292 635096590 /nfs/dbraw/zinc/09/65/90/635096590.db2.gz RJMMQDUIEWMVBE-AWEZNQCLSA-N 0 0 298.390 2.738 20 10 CFCDRN CC12CC(C1)CN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853775785 635103927 /nfs/dbraw/zinc/10/39/27/635103927.db2.gz CBTBWTMQLWRHMV-UHFFFAOYSA-N 0 0 297.402 2.757 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)CC2CCC2)cc1F ZINC000111845289 635197379 /nfs/dbraw/zinc/19/73/79/635197379.db2.gz ULPFVRJKBCTRRG-UHFFFAOYSA-N 0 0 293.386 2.833 20 10 CFCDRN C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231109 635266126 /nfs/dbraw/zinc/26/61/26/635266126.db2.gz DUEOLSYEIBXTRW-YUMQZZPRSA-N 0 0 277.195 2.958 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC3(CC3(F)F)C2)cc1 ZINC000854271422 635277670 /nfs/dbraw/zinc/27/76/70/635277670.db2.gz GLTKMEZSKYHEIN-UHFFFAOYSA-N 0 0 294.345 2.804 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCF ZINC000854949854 635428975 /nfs/dbraw/zinc/42/89/75/635428975.db2.gz XTVWBYDKUMHKTE-CYBMUJFWSA-N 0 0 280.387 2.858 20 10 CFCDRN CC/C=C(/C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229750 635490203 /nfs/dbraw/zinc/49/02/03/635490203.db2.gz LVZVDECDRUMUFR-MECSIWFOSA-N 0 0 288.391 2.746 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC/C=C/CO ZINC000855403729 635533398 /nfs/dbraw/zinc/53/33/98/635533398.db2.gz NYSGMKQEUAECFB-SNAWJCMRSA-N 0 0 298.386 2.681 20 10 CFCDRN COCc1csc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000855779406 635642470 /nfs/dbraw/zinc/64/24/70/635642470.db2.gz QHOQNGWVNNSFAP-UHFFFAOYSA-N 0 0 283.374 2.592 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000855953646 635697243 /nfs/dbraw/zinc/69/72/43/635697243.db2.gz FJYQDYTUCZWYRN-AAEUAGOBSA-N 0 0 295.404 2.875 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000856059768 635711951 /nfs/dbraw/zinc/71/19/51/635711951.db2.gz UIZLORORMPRICC-HUUCEWRRSA-N 0 0 295.386 2.971 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1cc(OC)ccc1O ZINC000114540980 635837886 /nfs/dbraw/zinc/83/78/86/635837886.db2.gz INZMZBJYLPJFIY-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN Nc1ccc(NC(=O)NCC[C@H]2CC2(Cl)Cl)cc1 ZINC000857099718 635929526 /nfs/dbraw/zinc/92/95/26/635929526.db2.gz WQRDFUBRHRWNKL-QMMMGPOBSA-N 0 0 288.178 2.974 20 10 CFCDRN Cc1cnc(CC(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547475 635982390 /nfs/dbraw/zinc/98/23/90/635982390.db2.gz GERZXDNDYPDCLT-UHFFFAOYSA-N 0 0 296.779 2.669 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc(O)c1 ZINC000857547177 635982633 /nfs/dbraw/zinc/98/26/33/635982633.db2.gz TVRKAAFXQRRZLV-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CCc1cccnc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548888 635983433 /nfs/dbraw/zinc/98/34/33/635983433.db2.gz ZCVAQKPPUIPHOV-UHFFFAOYSA-N 0 0 290.750 2.933 20 10 CFCDRN CCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000047080714 650225878 /nfs/dbraw/zinc/22/58/78/650225878.db2.gz CDRUEFKJHBXYNQ-FLIBITNWSA-N 0 0 279.386 2.916 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccn2C(C)C)c1 ZINC000158441742 650226511 /nfs/dbraw/zinc/22/65/11/650226511.db2.gz DXDDFPPAUUOLLS-UHFFFAOYSA-N 0 0 288.347 2.713 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCC(C)C ZINC000115592627 636024156 /nfs/dbraw/zinc/02/41/56/636024156.db2.gz BKGYELQZAPKPHA-UHFFFAOYSA-N 0 0 298.452 2.527 20 10 CFCDRN Cc1cccc(CN2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000857882629 636046779 /nfs/dbraw/zinc/04/67/79/636046779.db2.gz WGRBGVXOSUGMPC-UHFFFAOYSA-N 0 0 296.370 2.679 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC2CC2)c1 ZINC000115712396 636054320 /nfs/dbraw/zinc/05/43/20/636054320.db2.gz USKLFIFWKNFZPI-SNVBAGLBSA-N 0 0 263.337 2.768 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCC(C)C)c1 ZINC000858086107 636121598 /nfs/dbraw/zinc/12/15/98/636121598.db2.gz AOFGBIUXLCNLGZ-UHFFFAOYSA-N 0 0 250.342 2.546 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC2(C(C)C)CC2)c1 ZINC000858273853 636174248 /nfs/dbraw/zinc/17/42/48/636174248.db2.gz IZYYNDGAEXVFPA-UHFFFAOYSA-N 0 0 276.380 2.936 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2cnn(CCF)c2)c1 ZINC000858492546 636271040 /nfs/dbraw/zinc/27/10/40/636271040.db2.gz YYIKPTDTEMIJRB-JTQLQIEISA-N 0 0 279.315 2.740 20 10 CFCDRN C/C=C/CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000858543493 636286611 /nfs/dbraw/zinc/28/66/11/636286611.db2.gz JVKXUDOZBJEPJH-PSKZRQQASA-N 0 0 289.423 2.867 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)CC(F)F)c1 ZINC000858571197 636296193 /nfs/dbraw/zinc/29/61/93/636296193.db2.gz ZYNKCXYGSAWBDN-JTQLQIEISA-N 0 0 286.322 2.791 20 10 CFCDRN CCCOC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000859001411 636406600 /nfs/dbraw/zinc/40/66/00/636406600.db2.gz DAEQJTMSUJLVMX-AWEZNQCLSA-N 0 0 293.363 2.920 20 10 CFCDRN CCCOC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000859006723 636408122 /nfs/dbraw/zinc/40/81/22/636408122.db2.gz LNFLBPPETBUIPY-SECBINFHSA-N 0 0 253.298 2.598 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000048114059 650256053 /nfs/dbraw/zinc/25/60/53/650256053.db2.gz QVDHRSVTGQDOOQ-ZDUSSCGKSA-N 0 0 287.407 2.885 20 10 CFCDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)s1 ZINC000159647353 650270316 /nfs/dbraw/zinc/27/03/16/650270316.db2.gz WSXJHBGMFGCHMV-UHFFFAOYSA-N 0 0 297.401 2.583 20 10 CFCDRN CCO[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000860242895 636835828 /nfs/dbraw/zinc/83/58/28/636835828.db2.gz VZNZRFRLEIOGBF-XHDPSFHLSA-N 0 0 295.379 2.639 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2C)c1O ZINC000187699219 650296270 /nfs/dbraw/zinc/29/62/70/650296270.db2.gz HPESDJGABIOYNL-NEPJUHHUSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C3CC3)nn2)c1 ZINC000860780019 636969936 /nfs/dbraw/zinc/96/99/36/636969936.db2.gz QDRYZEBJQOTVGS-UHFFFAOYSA-N 0 0 298.346 2.690 20 10 CFCDRN CCc1onc(C)c1NC(=O)NCc1cc(C)ccc1O ZINC000860833054 636984632 /nfs/dbraw/zinc/98/46/32/636984632.db2.gz LGABISJYRPQKQU-UHFFFAOYSA-N 0 0 289.335 2.881 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCF)c1 ZINC000861505108 637202411 /nfs/dbraw/zinc/20/24/11/637202411.db2.gz FBWRNSOSEJMWDI-UHFFFAOYSA-N 0 0 288.322 2.606 20 10 CFCDRN CC1(C)CC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862025021 637266097 /nfs/dbraw/zinc/26/60/97/637266097.db2.gz LBWQNILBIZVEAF-CYBMUJFWSA-N 0 0 284.359 2.993 20 10 CFCDRN 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CFCDRN CCc1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1 ZINC000862758878 637481845 /nfs/dbraw/zinc/48/18/45/637481845.db2.gz OZKCJSVVYIEPML-UHFFFAOYSA-N 0 0 290.388 2.958 20 10 CFCDRN CCCCCCOCC(=O)NCc1cc(C)ccc1O ZINC000862759742 637481989 /nfs/dbraw/zinc/48/19/89/637481989.db2.gz ICUUFZZIQWUYMI-UHFFFAOYSA-N 0 0 279.380 2.914 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CCCn2cccc2)c1 ZINC000862758131 637482556 /nfs/dbraw/zinc/48/25/56/637482556.db2.gz PTBBVJGWIAPDJU-UHFFFAOYSA-N 0 0 272.348 2.599 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000862760949 637483257 /nfs/dbraw/zinc/48/32/57/637483257.db2.gz ZJNUTHPSKCZZSY-OAHLLOKOSA-N 0 0 297.354 2.568 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CO[C@H]2CCCC[C@H]2C)c1 ZINC000862760244 637483311 /nfs/dbraw/zinc/48/33/11/637483311.db2.gz OMUBMAPDSQRIFS-CJNGLKHVSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CO[C@@H]2CCCC[C@@H]2C)c1 ZINC000862760248 637483663 /nfs/dbraw/zinc/48/36/63/637483663.db2.gz OMUBMAPDSQRIFS-XJKSGUPXSA-N 0 0 291.391 2.912 20 10 CFCDRN 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[O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865695917 638519665 /nfs/dbraw/zinc/51/96/65/638519665.db2.gz ORQSMFIXVAIGSI-QATATGDFSA-N 0 0 297.757 2.698 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865695914 638519969 /nfs/dbraw/zinc/51/99/69/638519969.db2.gz ORQSMFIXVAIGSI-ILXLCQHESA-N 0 0 297.757 2.698 20 10 CFCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cc(F)ccc1O ZINC000077472130 650427437 /nfs/dbraw/zinc/42/74/37/650427437.db2.gz ISENIDIUMMZQKS-AWEZNQCLSA-N 0 0 272.279 2.728 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000015832720 638590994 /nfs/dbraw/zinc/59/09/94/638590994.db2.gz HCZUVRCZRZPUST-UHFFFAOYSA-N 0 0 299.330 2.591 20 10 CFCDRN COc1c(C)nc(C2CC2)nc1N1Cc2cccc(O)c2C1 ZINC000866117181 638745059 /nfs/dbraw/zinc/74/50/59/638745059.db2.gz HILNLVXXVMFABX-UHFFFAOYSA-N 0 0 297.358 2.897 20 10 CFCDRN CC[C@H](C)Oc1nccnc1N1Cc2cccc(O)c2C1 ZINC000866117243 638745164 /nfs/dbraw/zinc/74/51/64/638745164.db2.gz JALIGXNHWKZFII-NSHDSACASA-N 0 0 285.347 2.880 20 10 CFCDRN Cc1nc(NC(=O)N[C@H](C)c2ccccc2O)oc1C ZINC000866160753 638760949 /nfs/dbraw/zinc/76/09/49/638760949.db2.gz FXKDQCWONCMYCC-SECBINFHSA-N 0 0 275.308 2.880 20 10 CFCDRN C[C@H](Nc1ncnc2c1CCC2)c1ccccc1O ZINC000866239733 638777715 /nfs/dbraw/zinc/77/77/15/638777715.db2.gz XLXKRZOFPXQVKK-JTQLQIEISA-N 0 0 255.321 2.844 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866415416 638817757 /nfs/dbraw/zinc/81/77/57/638817757.db2.gz UKPVMSYTLMWAQM-QWRGUYRKSA-N 0 0 282.340 2.502 20 10 CFCDRN CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000866415194 638817765 /nfs/dbraw/zinc/81/77/65/638817765.db2.gz ROXVUECXMOXAKY-GXSJLCMTSA-N 0 0 273.323 2.872 20 10 CFCDRN COC[C@H](C)OC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866484962 638829236 /nfs/dbraw/zinc/82/92/36/638829236.db2.gz IYDTUZGOPSISTA-ZDUSSCGKSA-N 0 0 292.379 2.548 20 10 CFCDRN CCO[C@H](C(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000866596386 638851148 /nfs/dbraw/zinc/85/11/48/638851148.db2.gz FYNTWOLPGGQOLB-INIZCTEOSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1(C(F)F)CCC1 ZINC000866597306 638851151 /nfs/dbraw/zinc/85/11/51/638851151.db2.gz QFPMZHKXLCCIRA-UHFFFAOYSA-N 0 0 269.291 2.786 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866635661 638858862 /nfs/dbraw/zinc/85/88/62/638858862.db2.gz RZJPMGQKZFLBDN-OUAUKWLOSA-N 0 0 282.340 2.501 20 10 CFCDRN O=C(NCc1ccccc1O)c1c(Cl)n[nH]c1C1CC1 ZINC000866754775 638873624 /nfs/dbraw/zinc/87/36/24/638873624.db2.gz DKUHCGCVZDSGNW-UHFFFAOYSA-N 0 0 291.738 2.576 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000121701420 638886342 /nfs/dbraw/zinc/88/63/42/638886342.db2.gz LPXLAYHQQALGIL-GFCCVEGCSA-N 0 0 280.437 2.819 20 10 CFCDRN C[C@@H](NS(=O)(=O)C1CCCCC1)c1ccccc1O ZINC000867833873 638900342 /nfs/dbraw/zinc/90/03/42/638900342.db2.gz FABXMMZGEOZAOG-LLVKDONJSA-N 0 0 283.393 2.705 20 10 CFCDRN Cc1ncsc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868216710 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C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCOC1 ZINC000868486791 638949368 /nfs/dbraw/zinc/94/93/68/638949368.db2.gz JTYNYRBYDVDZCJ-FRRDWIJNSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)N[C@H](C)[C@@H]1CCCOC1)c1ccccc1O ZINC000868486792 638949426 /nfs/dbraw/zinc/94/94/26/638949426.db2.gz JTYNYRBYDVDZCJ-JHJVBQTASA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000868523851 638952654 /nfs/dbraw/zinc/95/26/54/638952654.db2.gz NGGWAMIAWJXSIG-NEPJUHHUSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CSC[C@@H]1C)c1ccccc1O ZINC000868601226 638960520 /nfs/dbraw/zinc/96/05/20/638960520.db2.gz LRHDVBFFKPRVMX-JBLDHEPKSA-N 0 0 280.393 2.504 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCCSC1)c1ccccc1O ZINC000868613295 638962119 /nfs/dbraw/zinc/96/21/19/638962119.db2.gz SJHISIDFZHGIPT-VXGBXAGGSA-N 0 0 294.420 2.896 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868670509 638967845 /nfs/dbraw/zinc/96/78/45/638967845.db2.gz KYORUSDGJYJWNQ-UTUOFQBUSA-N 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ORNDVGUHRMYILN-RQOWECAXSA-N 0 0 293.338 2.709 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000191580235 650511703 /nfs/dbraw/zinc/51/17/03/650511703.db2.gz FXGVIEKOGDITHR-ZDUSSCGKSA-N 0 0 299.436 2.591 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccc(Cl)c2)c1 ZINC000078726286 650527003 /nfs/dbraw/zinc/52/70/03/650527003.db2.gz UEKWBYKIRIDUCF-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)SC)cc1 ZINC000079391479 650588062 /nfs/dbraw/zinc/58/80/62/650588062.db2.gz CBLLZDPQWMLNKB-LBPRGKRZSA-N 0 0 280.437 2.901 20 10 CFCDRN O=C(NC[C@H]1CCc2ccccc21)c1cccc(O)c1O ZINC000193062584 650620036 /nfs/dbraw/zinc/62/00/36/650620036.db2.gz CSJRTVSTFNRGHI-GFCCVEGCSA-N 0 0 283.327 2.558 20 10 CFCDRN Cc1c(NC(=O)c2cccc(O)c2O)cccc1N(C)C ZINC000193153164 650628437 /nfs/dbraw/zinc/62/84/37/650628437.db2.gz VCODFHPITPQBDK-UHFFFAOYSA-N 0 0 286.331 2.725 20 10 CFCDRN O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000871120871 641210907 /nfs/dbraw/zinc/21/09/07/641210907.db2.gz WEOIHXLEJHMSHS-WCQYABFASA-N 0 0 281.377 2.531 20 10 CFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)n1cccc1 ZINC000871202306 641241848 /nfs/dbraw/zinc/24/18/48/641241848.db2.gz CYZHUXDXXPPUIB-GFCCVEGCSA-N 0 0 270.332 2.687 20 10 CFCDRN CCc1nc(C)c(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871201390 641241986 /nfs/dbraw/zinc/24/19/86/641241986.db2.gz VHCOUGWGHZJFHF-UHFFFAOYSA-N 0 0 288.372 2.876 20 10 CFCDRN O=C([C@@H]1CCCCS1)N1Cc2cccc(O)c2C1 ZINC000871203506 641242843 /nfs/dbraw/zinc/24/28/43/641242843.db2.gz AXTGKZDCRSUZNI-ZDUSSCGKSA-N 0 0 263.362 2.520 20 10 CFCDRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000871203146 641242852 /nfs/dbraw/zinc/24/28/52/641242852.db2.gz USQOYZVQUVYHPK-JYAVWHMHSA-N 0 0 257.333 2.671 20 10 CFCDRN O=C([C@H]1CC12CCCC2)N1Cc2cccc(O)c2C1 ZINC000871203505 641243047 /nfs/dbraw/zinc/24/30/47/641243047.db2.gz MSENFRPCDDSRLZ-CYBMUJFWSA-N 0 0 257.333 2.815 20 10 CFCDRN C[C@]1(C(=O)N2Cc3cccc(O)c3C2)C[C@H]2C[C@H]2C1 ZINC000871204559 641243947 /nfs/dbraw/zinc/24/39/47/641243947.db2.gz GJQMCNMXIJNCEA-ATCWAGBWSA-N 0 0 257.333 2.671 20 10 CFCDRN O=C(C[C@H]1C=CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204454 641243969 /nfs/dbraw/zinc/24/39/69/641243969.db2.gz KBBRMLXOXFIVOE-LBPRGKRZSA-N 0 0 257.333 2.981 20 10 CFCDRN Cn1cc(C(=O)N2Cc3cccc(O)c3C2)c(C2CCC2)n1 ZINC000871205486 641244107 /nfs/dbraw/zinc/24/41/07/641244107.db2.gz FLJODOIYOZDYQW-UHFFFAOYSA-N 0 0 297.358 2.549 20 10 CFCDRN CCC[C@@H]1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205261 641244281 /nfs/dbraw/zinc/24/42/81/641244281.db2.gz XVEAECPWYZAFKV-GXTWGEPZSA-N 0 0 289.375 2.830 20 10 CFCDRN CC[C@H](CC(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206114 641244722 /nfs/dbraw/zinc/24/47/22/641244722.db2.gz RTZDIXOXWUMEJW-SECBINFHSA-N 0 0 269.291 2.916 20 10 CFCDRN O=C([C@H]1CCCC12CC2)N1Cc2cccc(O)c2C1 ZINC000871207253 641246095 /nfs/dbraw/zinc/24/60/95/641246095.db2.gz LNPHKMYHPGAMGU-CYBMUJFWSA-N 0 0 257.333 2.815 20 10 CFCDRN COCCc1nc(CNc2ccccc2NC(C)C)no1 ZINC000871845682 641479175 /nfs/dbraw/zinc/47/91/75/641479175.db2.gz HGLIINGXAMKUDQ-UHFFFAOYSA-N 0 0 290.367 2.691 20 10 CFCDRN CCCOc1ccc(C[NH2+]CC2(C(=O)[O-])CC2)cc1C ZINC000871878852 641496417 /nfs/dbraw/zinc/49/64/17/641496417.db2.gz UQCGADKKSOOIGZ-UHFFFAOYSA-N 0 0 277.364 2.738 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000872125950 641653562 /nfs/dbraw/zinc/65/35/62/641653562.db2.gz HZNOKNNNZHAAFX-GUBZILKMSA-N 0 0 289.297 2.833 20 10 CFCDRN C[C@@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1[O-] ZINC000194034348 650714228 /nfs/dbraw/zinc/71/42/28/650714228.db2.gz XFRVHRQXJMLXHA-MRVPVSSYSA-N 0 0 263.259 2.811 20 10 CFCDRN [NH3+][C@H]1CCCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873214442 642071680 /nfs/dbraw/zinc/07/16/80/642071680.db2.gz FUUZVHQTVRXSOQ-LBPRGKRZSA-N 0 0 286.778 2.888 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000194197358 650722826 /nfs/dbraw/zinc/72/28/26/650722826.db2.gz YPWXNMFFFHXSKU-HNNXBMFYSA-N 0 0 296.370 2.874 20 10 CFCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1C ZINC000194999505 650735485 /nfs/dbraw/zinc/73/54/85/650735485.db2.gz KDTWIZWZJJOCEH-UHFFFAOYSA-N 0 0 285.391 2.672 20 10 CFCDRN CCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873722032 642289272 /nfs/dbraw/zinc/28/92/72/642289272.db2.gz PIWZENAZXUGRQZ-UHFFFAOYSA-N 0 0 262.313 2.769 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cccnc1 ZINC000124696380 642301490 /nfs/dbraw/zinc/30/14/90/642301490.db2.gz PSWZIPBCXQGEAC-UHFFFAOYSA-N 0 0 262.740 2.773 20 10 CFCDRN CCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873911654 642306990 /nfs/dbraw/zinc/30/69/90/642306990.db2.gz MTKZNHLEOVFPEF-SECBINFHSA-N 0 0 262.313 2.767 20 10 CFCDRN CC(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873978126 642314890 /nfs/dbraw/zinc/31/48/90/642314890.db2.gz CEMJHZUUFKPVBK-UHFFFAOYSA-N 0 0 262.313 2.577 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000124818375 642336804 /nfs/dbraw/zinc/33/68/04/642336804.db2.gz UAGCFBYBLPIBNN-CQSZACIVSA-N 0 0 277.751 2.869 20 10 CFCDRN CSC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000124978183 642377603 /nfs/dbraw/zinc/37/76/03/642377603.db2.gz PVSBNBZXLWDOOX-MRVPVSSYSA-N 0 0 290.226 2.996 20 10 CFCDRN CC1(C)C[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874464467 642393174 /nfs/dbraw/zinc/39/31/74/642393174.db2.gz VFDJGWBYXDVTGL-SNVBAGLBSA-N 0 0 274.324 2.625 20 10 CFCDRN C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(N)cc2)C1 ZINC000020508394 642420001 /nfs/dbraw/zinc/42/00/01/642420001.db2.gz UKGPLFKHTBGONY-SMDDNHRTSA-N 0 0 262.353 2.803 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875102773 642584680 /nfs/dbraw/zinc/58/46/80/642584680.db2.gz ULOHGFATNOFJAN-DGCLKSJQSA-N 0 0 274.364 2.996 20 10 CFCDRN CC(C)SCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875581644 642645455 /nfs/dbraw/zinc/64/54/55/642645455.db2.gz SEHLUWUVOPKODA-UHFFFAOYSA-N 0 0 280.393 2.559 20 10 CFCDRN CCC(CC)(CNC(=O)N1Cc2cccc(O)c2C1)OC ZINC000875615353 642651063 /nfs/dbraw/zinc/65/10/63/642651063.db2.gz GZTXQFVEJDXYPJ-UHFFFAOYSA-N 0 0 292.379 2.623 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875642589 642657386 /nfs/dbraw/zinc/65/73/86/642657386.db2.gz OIUFLKMQAGHTTP-STQMWFEESA-N 0 0 274.364 2.710 20 10 CFCDRN CC(C)C[C@@H](C(=O)Nc1ccc(N)cc1)n1ccnc1 ZINC000876503857 642896134 /nfs/dbraw/zinc/89/61/34/642896134.db2.gz FUEARJVSHSWFEK-AWEZNQCLSA-N 0 0 272.352 2.691 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc(F)c1F ZINC000876650494 642959251 /nfs/dbraw/zinc/95/92/51/642959251.db2.gz DPGFXSITOIOUPP-UHFFFAOYSA-N 0 0 293.317 2.773 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000876769996 643001188 /nfs/dbraw/zinc/00/11/88/643001188.db2.gz GBRNDGTUBBGYKJ-GWCFXTLKSA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000876769997 643002062 /nfs/dbraw/zinc/00/20/62/643002062.db2.gz GBRNDGTUBBGYKJ-GXFFZTMASA-N 0 0 289.297 2.852 20 10 CFCDRN COc1ccc(NCc2ccc(C)cc2O)cc1CO ZINC000876850490 643036863 /nfs/dbraw/zinc/03/68/63/643036863.db2.gz UAHMNVKBTNEOPE-UHFFFAOYSA-N 0 0 273.332 2.814 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(OCCO)cc1 ZINC000876857970 643039284 /nfs/dbraw/zinc/03/92/84/643039284.db2.gz LKNYAIJHJFDKBS-UHFFFAOYSA-N 0 0 273.332 2.684 20 10 CFCDRN Cc1ccc(F)cc1NC(=O)c1cccc(O)c1O ZINC000126226387 643055860 /nfs/dbraw/zinc/05/58/60/643055860.db2.gz OHDATRTWLGAWDL-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064200 643129416 /nfs/dbraw/zinc/12/94/16/643129416.db2.gz OIGWYGTUNHZMGZ-VIFPVBQESA-N 0 0 273.323 2.964 20 10 CFCDRN CN(C(=O)C1CC2(CC2(F)F)C1)c1ccc(N)cc1 ZINC000877074226 643136601 /nfs/dbraw/zinc/13/66/01/643136601.db2.gz CRLQJHJRXAOBBY-UHFFFAOYSA-N 0 0 266.291 2.667 20 10 CFCDRN CN(C(=O)CCCc1cccnc1)c1ccc(N)cc1 ZINC000877074795 643137312 /nfs/dbraw/zinc/13/73/12/643137312.db2.gz SIBCNPOCZMWKKC-UHFFFAOYSA-N 0 0 269.348 2.650 20 10 CFCDRN CN(C(=O)CCCc1nccs1)c1ccc(N)cc1 ZINC000877075216 643137637 /nfs/dbraw/zinc/13/76/37/643137637.db2.gz ALFSTBFJCOQBFT-UHFFFAOYSA-N 0 0 275.377 2.711 20 10 CFCDRN COc1ccc2c(c1)CC[C@@H]2C(=O)N(C)c1ccc(N)cc1 ZINC000877076849 643138376 /nfs/dbraw/zinc/13/83/76/643138376.db2.gz SDWKLAYXHJDYEF-KRWDZBQOSA-N 0 0 296.370 2.970 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126346547 643153362 /nfs/dbraw/zinc/15/33/62/643153362.db2.gz VKBPLVAFCNIYFO-MNOVXSKESA-N 0 0 263.337 2.654 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCO1 ZINC000877123055 643162929 /nfs/dbraw/zinc/16/29/29/643162929.db2.gz FIIIAKBPHWJTJE-NEPJUHHUSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877129282 643168172 /nfs/dbraw/zinc/16/81/72/643168172.db2.gz MDDJYBZDLOTNLE-JOYOIKCWSA-N 0 0 297.301 2.865 20 10 CFCDRN CCC[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179508 643191748 /nfs/dbraw/zinc/19/17/48/643191748.db2.gz DBRARGOCGDZXEY-ZDUSSCGKSA-N 0 0 297.395 2.964 20 10 CFCDRN CCCn1cc(CN(C)c2ccc(OC)c(Cl)c2)nn1 ZINC000877181417 643192579 /nfs/dbraw/zinc/19/25/79/643192579.db2.gz LPNBBVFXUUTMML-UHFFFAOYSA-N 0 0 294.786 2.987 20 10 CFCDRN CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126457225 643232038 /nfs/dbraw/zinc/23/20/38/643232038.db2.gz LRWSELMQAHPTBV-VHSXEESVSA-N 0 0 251.326 2.652 20 10 CFCDRN COc1ccc(N(C)C[C@@](C)(OC)C2CC2)cc1OC ZINC000877342156 643242302 /nfs/dbraw/zinc/24/23/02/643242302.db2.gz JYXWXCZGDKYHRC-MRXNPFEDSA-N 0 0 279.380 2.955 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCCN2C2CC2)ccc(F)c1F ZINC000877478117 643296244 /nfs/dbraw/zinc/29/62/44/643296244.db2.gz AIRVHYXZMLGAIU-ZDUSSCGKSA-N 0 0 296.361 2.777 20 10 CFCDRN C[C@@H](CO)[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CCC1 ZINC000877506144 643316623 /nfs/dbraw/zinc/31/66/23/643316623.db2.gz PRRBIFLAVAVWIK-JTQLQIEISA-N 0 0 285.334 2.653 20 10 CFCDRN [O-]c1c(C[N@H+]2CC[C@@H](O)C23CCCC3)ccc(F)c1F ZINC000877550066 643350552 /nfs/dbraw/zinc/35/05/52/643350552.db2.gz TXDDUOYMNDAMLP-GFCCVEGCSA-N 0 0 283.318 2.550 20 10 CFCDRN CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877551487 643352664 /nfs/dbraw/zinc/35/26/64/643352664.db2.gz BSSVPVJYQMNBMP-HNNXBMFYSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1nocc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877563444 643362809 /nfs/dbraw/zinc/36/28/09/643362809.db2.gz NBPGUJJVNGJZCF-UHFFFAOYSA-N 0 0 270.691 2.771 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)ccc(F)c1F ZINC000877565910 643365113 /nfs/dbraw/zinc/36/51/13/643365113.db2.gz BCSSNULZJPKVAE-IUODEOHRSA-N 0 0 297.345 2.557 20 10 CFCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])OCC1CC1 ZINC000877589303 643384076 /nfs/dbraw/zinc/38/40/76/643384076.db2.gz MAGZTLBZZNBSKC-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)C(C)C ZINC000877590795 643385476 /nfs/dbraw/zinc/38/54/76/643385476.db2.gz HOYRIKSBSQHLRX-WCQYABFASA-N 0 0 273.323 2.556 20 10 CFCDRN Cc1ccc(CN[C@@H](C)C(=O)OCc2ccccc2)c(O)c1 ZINC000877616950 643403567 /nfs/dbraw/zinc/40/35/67/643403567.db2.gz JBLMCYBPXJYHDJ-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877630787 643415320 /nfs/dbraw/zinc/41/53/20/643415320.db2.gz MQSDNNYZMXLPTL-UHFFFAOYSA-N 0 0 293.317 2.571 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2Cc3cnn(C)c3C2)cc1 ZINC000877632630 643416442 /nfs/dbraw/zinc/41/64/42/643416442.db2.gz IASWCHJSSNBDLM-PLNGDYQASA-N 0 0 282.391 2.515 20 10 CFCDRN COc1cc(CNC/C=C/c2ccc(N(C)C)cc2)on1 ZINC000877635282 643419377 /nfs/dbraw/zinc/41/93/77/643419377.db2.gz LDEACXFGWYGACD-SNAWJCMRSA-N 0 0 287.363 2.552 20 10 CFCDRN Cc1ccc(CN2CCO[C@](C)(C(F)F)C2)c(O)c1 ZINC000877644643 643428527 /nfs/dbraw/zinc/42/85/27/643428527.db2.gz YKLKVCOKXPMNIV-AWEZNQCLSA-N 0 0 271.307 2.557 20 10 CFCDRN CC[C@](NCc1ccccc1O)(C(=O)OC)c1ccccc1 ZINC000877675386 643446977 /nfs/dbraw/zinc/44/69/77/643446977.db2.gz LOYWPIFOZVAPBS-GOSISDBHSA-N 0 0 299.370 2.960 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)O1 ZINC000877681812 643451093 /nfs/dbraw/zinc/45/10/93/643451093.db2.gz JQMKGEHOXUTIJZ-RGNHYFCHSA-N 0 0 273.735 2.840 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877681871 643451134 /nfs/dbraw/zinc/45/11/34/643451134.db2.gz KUYIFDQSNCWKOM-PWMQFFBLSA-N 0 0 297.757 2.698 20 10 CFCDRN Cc1cc(C)n2c(CN3Cc4cccc(O)c4C3)cnc2n1 ZINC000877703201 643469562 /nfs/dbraw/zinc/46/95/62/643469562.db2.gz VXBQQHWNELCGEN-UHFFFAOYSA-N 0 0 294.358 2.568 20 10 CFCDRN COC(=O)c1cc(CN2Cc3cccc(O)c3C2)oc1C ZINC000877703206 643469632 /nfs/dbraw/zinc/46/96/32/643469632.db2.gz WDOCSSNSXIJQRA-UHFFFAOYSA-N 0 0 287.315 2.596 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccnn1C ZINC000877763428 643544108 /nfs/dbraw/zinc/54/41/08/643544108.db2.gz XVYUMHDCGBECHK-QMMMGPOBSA-N 0 0 283.734 2.769 20 10 CFCDRN CCOc1cccc(CN2CC(OC(C)(C)C)C2)c1O ZINC000877771824 643551688 /nfs/dbraw/zinc/55/16/88/643551688.db2.gz DIUVHKQAHFEVOE-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN O=C1N[C@H](c2cccc(F)c2O)Nc2cc(F)c(F)cc21 ZINC000877859967 643609127 /nfs/dbraw/zinc/60/91/27/643609127.db2.gz WKDOZRCZLYPADE-CYBMUJFWSA-N 0 0 294.232 2.664 20 10 CFCDRN COc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2)c(O)c1 ZINC000877861140 643610551 /nfs/dbraw/zinc/61/05/51/643610551.db2.gz GRJGGGKMXSDZPV-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN CCOc1cccc([C@@H]2Nc3cc(C)ccc3C(=O)N2)c1O ZINC000877863096 643611223 /nfs/dbraw/zinc/61/12/23/643611223.db2.gz DPJRJCAIHPFSAP-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000877978815 643676002 /nfs/dbraw/zinc/67/60/02/643676002.db2.gz PSIXOQLNOGIDGJ-HOCLYGCPSA-N 0 0 272.392 2.805 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)Nc2ccccn2)cc1 ZINC000878220504 643797646 /nfs/dbraw/zinc/79/76/46/643797646.db2.gz HWOYSCAMKWXALR-UHFFFAOYSA-N 0 0 299.374 2.945 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H](C)O1 ZINC000246397631 650867129 /nfs/dbraw/zinc/86/71/29/650867129.db2.gz HSCZNWVMMGZJLN-TZMCWYRMSA-N 0 0 279.380 2.709 20 10 CFCDRN COc1ccc(N(C)Cc2nc(CC3CC3)no2)cc1 ZINC000878801301 644031268 /nfs/dbraw/zinc/03/12/68/644031268.db2.gz IZRZEPWZOPNJNE-UHFFFAOYSA-N 0 0 273.336 2.667 20 10 CFCDRN CCCn1cc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000878821418 644039044 /nfs/dbraw/zinc/03/90/44/644039044.db2.gz LQNCNDZVLBJQRL-NSHDSACASA-N 0 0 288.351 2.881 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N[C@H](C)c1ccccc1O ZINC000879648264 644360945 /nfs/dbraw/zinc/36/09/45/644360945.db2.gz HQIFFLKNPRLWEF-VXGBXAGGSA-N 0 0 265.353 2.775 20 10 CFCDRN CC(=O)Nc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000879649210 644362463 /nfs/dbraw/zinc/36/24/63/644362463.db2.gz NYJAFKBFUNTZGA-SECBINFHSA-N 0 0 291.376 2.658 20 10 CFCDRN C[C@@H](NCc1nc(CC2CC2)no1)c1ccccc1O ZINC000879649744 644362707 /nfs/dbraw/zinc/36/27/07/644362707.db2.gz FPLTYSARBRXRJX-SNVBAGLBSA-N 0 0 273.336 2.579 20 10 CFCDRN CC(C)c1nc(CN[C@@H](C)c2ccccc2O)no1 ZINC000879651983 644364538 /nfs/dbraw/zinc/36/45/38/644364538.db2.gz RXTACRINRVCVNI-JTQLQIEISA-N 0 0 261.325 2.749 20 10 CFCDRN CC(C)CONC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000128098233 644467982 /nfs/dbraw/zinc/46/79/82/644467982.db2.gz TZHBJDSCXFJSTH-UHFFFAOYSA-N 0 0 292.379 2.658 20 10 CFCDRN CCC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000128166360 644520081 /nfs/dbraw/zinc/52/00/81/644520081.db2.gz ROLJNMPMPDOMMK-AWEZNQCLSA-N 0 0 280.387 2.893 20 10 CFCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000880318058 644650253 /nfs/dbraw/zinc/65/02/53/644650253.db2.gz ZUNNTAMALDTXOZ-RUDMXATFSA-N 0 0 283.287 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2c[nH]cc2C2CC2)c1 ZINC000880836767 644846263 /nfs/dbraw/zinc/84/62/63/644846263.db2.gz BWTAYYHJZFYPJJ-UHFFFAOYSA-N 0 0 270.332 2.836 20 10 CFCDRN COC(=O)c1ccc(CSc2nccs2)nc1 ZINC000094757080 650962942 /nfs/dbraw/zinc/96/29/42/650962942.db2.gz GTGZSYDCYHOQOM-UHFFFAOYSA-N 0 0 266.347 2.617 20 10 CFCDRN CN(C)c1ccc(Cn2cc([C@@H]3CCCC(=O)C3)nn2)cc1 ZINC000881271097 644940147 /nfs/dbraw/zinc/94/01/47/644940147.db2.gz GWHCGWKLZUQPNF-CQSZACIVSA-N 0 0 298.390 2.619 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(-c3cncs3)nn2)cc1 ZINC000881315212 644949894 /nfs/dbraw/zinc/94/98/94/644949894.db2.gz OAMLJYVJKYPENW-UHFFFAOYSA-N 0 0 299.403 2.906 20 10 CFCDRN C/C=C/c1cn(Cc2ccc(N(C)CC)cc2)nn1 ZINC000881313963 644950247 /nfs/dbraw/zinc/95/02/47/644950247.db2.gz WXVOVRYJZAFGEV-GQCTYLIASA-N 0 0 256.353 2.816 20 10 CFCDRN CCCC(=O)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377489 644964231 /nfs/dbraw/zinc/96/42/31/644964231.db2.gz OJIWTYODCNXUOL-UHFFFAOYSA-N 0 0 286.379 2.684 20 10 CFCDRN O=C(NCC[C@H]1CCCC1(F)F)c1cccc(O)c1O ZINC000881582172 645056435 /nfs/dbraw/zinc/05/64/35/645056435.db2.gz CSXJKFNSXSCMBQ-SECBINFHSA-N 0 0 285.290 2.653 20 10 CFCDRN CN(C)c1ccc(CN(c2cc(CO)ccn2)C2CC2)cc1 ZINC000881831783 645136821 /nfs/dbraw/zinc/13/68/21/645136821.db2.gz ZVNOYAJKDBJXMK-UHFFFAOYSA-N 0 0 297.402 2.809 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000882887959 645492954 /nfs/dbraw/zinc/49/29/54/645492954.db2.gz KRPBGTRISBMDDC-ZDUSSCGKSA-N 0 0 284.350 2.634 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882980285 645538827 /nfs/dbraw/zinc/53/88/27/645538827.db2.gz FZDZXAGKECBVIM-MRVPVSSYSA-N 0 0 281.306 2.563 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc3occc3[nH]2)cc1 ZINC000130701968 645555430 /nfs/dbraw/zinc/55/54/30/645555430.db2.gz ZQKFSFJGRUKGJP-UHFFFAOYSA-N 0 0 283.331 2.757 20 10 CFCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883041407 645578034 /nfs/dbraw/zinc/57/80/34/645578034.db2.gz LMOOVXOACIAYTE-UWVGGRQHSA-N 0 0 271.307 2.575 20 10 CFCDRN Cc1cccc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883049868 645582514 /nfs/dbraw/zinc/58/25/14/645582514.db2.gz XNXYTBXFANZTMP-HNNXBMFYSA-N 0 0 293.313 2.802 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883077122 645593566 /nfs/dbraw/zinc/59/35/66/645593566.db2.gz ZHTGYVFKVABIFD-QWHCGFSZSA-N 0 0 271.307 2.718 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)N1CCCCCC1 ZINC000883121037 645612211 /nfs/dbraw/zinc/61/22/11/645612211.db2.gz VHAVOPPEROFZKX-UHFFFAOYSA-N 0 0 260.337 2.704 20 10 CFCDRN Cc1cc(F)ccc1C=C1SC(=S)NC1=O ZINC000131058826 645618153 /nfs/dbraw/zinc/61/81/53/645618153.db2.gz OURBUIKBLQBIOW-UITAMQMPSA-N 0 0 253.323 2.623 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000252875605 651028388 /nfs/dbraw/zinc/02/83/88/651028388.db2.gz WQPGAPAZOVHHCV-LLVKDONJSA-N 0 0 298.814 2.580 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000883134892 645620191 /nfs/dbraw/zinc/62/01/91/645620191.db2.gz NORDNVCYBVPAAU-DZGCQCFKSA-N 0 0 297.345 2.557 20 10 CFCDRN CC(C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])OCC1CC1 ZINC000883146478 645624775 /nfs/dbraw/zinc/62/47/75/645624775.db2.gz OLMRUPJGCBCBCV-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152705 645628838 /nfs/dbraw/zinc/62/88/38/645628838.db2.gz DYTBZPPBPPPLEU-JOYOIKCWSA-N 0 0 273.323 2.557 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnn(C)c2C)cc1F ZINC000883230948 645679836 /nfs/dbraw/zinc/67/98/36/645679836.db2.gz VWIMPCZZOJPLPB-UHFFFAOYSA-N 0 0 291.374 2.721 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)c2ccsc2)c1 ZINC000131478178 645730963 /nfs/dbraw/zinc/73/09/63/645730963.db2.gz ZYKQJWOWMQWECB-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=C(C)OCCC2)c1 ZINC000131499362 645737451 /nfs/dbraw/zinc/73/74/51/645737451.db2.gz KDZIHHBCFSDUQB-SNVBAGLBSA-N 0 0 291.347 2.662 20 10 CFCDRN COc1ccc(CN[C@@H](C)C(F)F)cc1Cn1cccn1 ZINC000883408410 645803668 /nfs/dbraw/zinc/80/36/68/645803668.db2.gz VVCWARZHQLVNKQ-NSHDSACASA-N 0 0 295.333 2.683 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C=CCC1 ZINC000883421289 645815940 /nfs/dbraw/zinc/81/59/40/645815940.db2.gz HROBGPJFHWDTES-CQSZACIVSA-N 0 0 287.407 2.826 20 10 CFCDRN Oc1cc2c(cc1CN1CCc3ccccc31)OCO2 ZINC000131800792 645816459 /nfs/dbraw/zinc/81/64/59/645816459.db2.gz GVUVZCPJNQIINL-UHFFFAOYSA-N 0 0 269.300 2.684 20 10 CFCDRN C=C/C=C/CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000883444146 645835058 /nfs/dbraw/zinc/83/50/58/645835058.db2.gz BUVGZJLNDCHHSD-ONEGZZNKSA-N 0 0 297.402 2.994 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582684 645898096 /nfs/dbraw/zinc/89/80/96/645898096.db2.gz ZQMLELXTQYDNHQ-STQMWFEESA-N 0 0 293.386 2.815 20 10 CFCDRN O=C(OC[C@@H](F)C(F)(F)F)C1=CC(=O)CS1 ZINC000800164622 646164890 /nfs/dbraw/zinc/16/48/90/646164890.db2.gz AFSHMTGFCMEHRF-ZCFIWIBFSA-N 0 0 258.192 2.511 20 10 CFCDRN O=C(CCc1ccccc1)NCc1ccccc1O ZINC000133788862 646227350 /nfs/dbraw/zinc/22/73/50/646227350.db2.gz IRONSVKSFFJPLI-UHFFFAOYSA-N 0 0 255.317 2.641 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)ccc1F ZINC000134348013 646331749 /nfs/dbraw/zinc/33/17/49/646331749.db2.gz NDDGTCDFYDENAE-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3ncc(C)o3)C2)cc1 ZINC000884535823 646429693 /nfs/dbraw/zinc/42/96/93/646429693.db2.gz MJWNFOPFCXZIJL-CYBMUJFWSA-N 0 0 287.363 2.930 20 10 CFCDRN C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1[O-] ZINC000135065684 646453345 /nfs/dbraw/zinc/45/33/45/646453345.db2.gz GEQZNSZUUFUXML-NSHDSACASA-N 0 0 267.344 2.735 20 10 CFCDRN CC(=O)C(=O)COC(=O)CCCc1ccc(C2CC2)cc1 ZINC000885513742 646700583 /nfs/dbraw/zinc/70/05/83/646700583.db2.gz DTKDZMNPPASTMY-UHFFFAOYSA-N 0 0 288.343 2.588 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(F)c(F)c1 ZINC000136948898 646870835 /nfs/dbraw/zinc/87/08/35/646870835.db2.gz UIYUTBUTBSCOIS-UHFFFAOYSA-N 0 0 277.270 2.943 20 10 CFCDRN COCCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886519205 647026115 /nfs/dbraw/zinc/02/61/15/647026115.db2.gz QJZIYYLRPQRAGD-NSHDSACASA-N 0 0 255.333 2.999 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1c([O-])cccc1F ZINC000886524382 647029443 /nfs/dbraw/zinc/02/94/43/647029443.db2.gz JRIHXQPVRYJFIO-WDEREUQCSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886527859 647030883 /nfs/dbraw/zinc/03/08/83/647030883.db2.gz BINVVPHRWIRBIX-OVWNDWIMSA-N 0 0 287.400 2.729 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1c([O-])cccc1F ZINC000886538144 647035713 /nfs/dbraw/zinc/03/57/13/647035713.db2.gz CEZWMLGPOPASPI-IINYFYTJSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1c([O-])cccc1F ZINC000886537006 647036050 /nfs/dbraw/zinc/03/60/50/647036050.db2.gz SALOSUZAQVDZKD-ABAIWWIYSA-N 0 0 298.427 2.619 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1c([O-])cccc1F ZINC000886543770 647041232 /nfs/dbraw/zinc/04/12/32/647041232.db2.gz VDYYDDXNYHOUHJ-LLVKDONJSA-N 0 0 269.360 2.981 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886555013 647045550 /nfs/dbraw/zinc/04/55/50/647045550.db2.gz IUZZCSQTBOOEKW-CABZTGNLSA-N 0 0 253.317 2.607 20 10 CFCDRN CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886561523 647048075 /nfs/dbraw/zinc/04/80/75/647048075.db2.gz AMBXKGIXOTYDKH-XHDPSFHLSA-N 0 0 281.371 2.979 20 10 CFCDRN C[C@H]([NH2+]CCOC1CCC1)c1c([O-])cccc1F ZINC000886576275 647052671 /nfs/dbraw/zinc/05/26/71/647052671.db2.gz BVAHMDUNOFBASG-JTQLQIEISA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1c([O-])cccc1F ZINC000886596911 647060645 /nfs/dbraw/zinc/06/06/45/647060645.db2.gz RMITTZDXNYGKIB-WDEREUQCSA-N 0 0 251.301 2.875 20 10 CFCDRN COCc1nc(CN[C@H](C)c2c(O)cccc2F)cs1 ZINC000886612098 647067010 /nfs/dbraw/zinc/06/70/10/647067010.db2.gz BRNJNLWGPYREJR-SECBINFHSA-N 0 0 296.367 2.985 20 10 CFCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886614091 647068401 /nfs/dbraw/zinc/06/84/01/647068401.db2.gz MZVQJAXYDUIUGZ-VXGBXAGGSA-N 0 0 296.386 2.734 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886616186 647070085 /nfs/dbraw/zinc/07/00/85/647070085.db2.gz WNCHYUSJJJJGKF-BXKDBHETSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886617641 647070400 /nfs/dbraw/zinc/07/04/00/647070400.db2.gz UVESKKPDHHKNIN-JOYOIKCWSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886622389 647073102 /nfs/dbraw/zinc/07/31/02/647073102.db2.gz RSWSYPADNPXIAT-NWDGAFQWSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886625355 647075086 /nfs/dbraw/zinc/07/50/86/647075086.db2.gz OILIOHHRLKXUBR-NOOOWODRSA-N 0 0 267.344 2.995 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886629349 647076870 /nfs/dbraw/zinc/07/68/70/647076870.db2.gz BPTXSQAOTOJXSA-QJPTWQEYSA-N 0 0 269.360 2.979 20 10 CFCDRN CCn1nccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886639845 647082731 /nfs/dbraw/zinc/08/27/31/647082731.db2.gz MSBNVEPXCVNBEU-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886644484 647084904 /nfs/dbraw/zinc/08/49/04/647084904.db2.gz DQDXFVKKFZHYMV-GARJFASQSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886643470 647084916 /nfs/dbraw/zinc/08/49/16/647084916.db2.gz WCWISENODGJHFI-DMZJWBPISA-N 0 0 267.344 2.994 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886644789 647085286 /nfs/dbraw/zinc/08/52/86/647085286.db2.gz KRCSMVHSLKBVTK-WDCWCFNPSA-N 0 0 253.317 2.748 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000886670087 647101138 /nfs/dbraw/zinc/10/11/38/647101138.db2.gz JCBRAYPMDSGJMD-GUTXKFCHSA-N 0 0 297.370 2.502 20 10 CFCDRN CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(F)cc1O ZINC000886803346 647145344 /nfs/dbraw/zinc/14/53/44/647145344.db2.gz HWPDYGGFCYMSQL-PWSUYJOCSA-N 0 0 295.276 2.885 20 10 CFCDRN C[C@]12CN(C(=O)C3=CC(=O)CS3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887882205 647429888 /nfs/dbraw/zinc/42/98/88/647429888.db2.gz RGRALEWADFWIMW-NPZRNVLXSA-N 0 0 277.389 2.962 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H]2C2CCCC2)c(O)c1O ZINC000889405370 647563364 /nfs/dbraw/zinc/56/33/64/647563364.db2.gz OIWWCMDQPNDEOC-ZDUSSCGKSA-N 0 0 275.348 2.811 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1C1CCC1 ZINC000890356154 647784095 /nfs/dbraw/zinc/78/40/95/647784095.db2.gz DOEWMVCQIBXIQN-ALCCZGGFSA-N 0 0 299.330 2.671 20 10 CFCDRN C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCS1 ZINC000926140932 648415139 /nfs/dbraw/zinc/41/51/39/648415139.db2.gz CHYPQZVDBDWWDP-CABZTGNLSA-N 0 0 265.382 2.674 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927483631 648788430 /nfs/dbraw/zinc/78/84/30/648788430.db2.gz SIWUIJHWTKUEPT-OOMRNXDTSA-N 0 0 287.359 2.663 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927483627 648788516 /nfs/dbraw/zinc/78/85/16/648788516.db2.gz SIWUIJHWTKUEPT-JISAVYQWSA-N 0 0 287.359 2.663 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000928705349 648944575 /nfs/dbraw/zinc/94/45/75/648944575.db2.gz HINNLNRJQIKYCV-NWDGAFQWSA-N 0 0 277.339 2.974 20 10 CFCDRN O=C(Cc1ccc2c(c1)CCC2)NCc1c(O)cccc1F ZINC000928710221 648946025 /nfs/dbraw/zinc/94/60/25/648946025.db2.gz QICDOTQSAMAIMN-UHFFFAOYSA-N 0 0 299.345 2.879 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712350 648946694 /nfs/dbraw/zinc/94/66/94/648946694.db2.gz RYCTZBYSNLPKLA-MRVPVSSYSA-N 0 0 292.310 2.556 20 10 CFCDRN Cc1noc(C(C)C)c1NC(=O)c1cccc(O)c1O ZINC000928787353 648954526 /nfs/dbraw/zinc/95/45/26/648954526.db2.gz KUOQDPKLARVYFJ-UHFFFAOYSA-N 0 0 276.292 2.770 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nnc2C)cc1OC ZINC000929347319 649036207 /nfs/dbraw/zinc/03/62/07/649036207.db2.gz HHJVTRXFRDMTJR-UHFFFAOYSA-N 0 0 287.363 2.747 20 10 CFCDRN C[N@H+](CCOC1CCSCC1)Cc1ccccc1O ZINC000929975319 649158617 /nfs/dbraw/zinc/15/86/17/649158617.db2.gz FHXXQMUTPRNMQZ-UHFFFAOYSA-N 0 0 281.421 2.736 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cn(C)cn2)c1C ZINC000930317479 649229824 /nfs/dbraw/zinc/22/98/24/649229824.db2.gz APJHNLXCXGAQCE-HJWRWDBZSA-N 0 0 269.348 2.713 20 10 CFCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cn(C)cn2)c1 ZINC000930316687 649229861 /nfs/dbraw/zinc/22/98/61/649229861.db2.gz VGRJTKXCGYCPCA-BQYQJAHWSA-N 0 0 269.348 2.713 20 10 CFCDRN Cc1ccnc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000931342974 649412507 /nfs/dbraw/zinc/41/25/07/649412507.db2.gz WWHULJJXSASZDB-UHFFFAOYSA-N 0 0 283.331 2.952 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2O1 ZINC000933614181 649706480 /nfs/dbraw/zinc/70/64/80/649706480.db2.gz LCBIHXHXGADHKO-QIAWRQBBSA-N 0 0 297.358 2.638 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(C=O)c1 ZINC000934706517 649818322 /nfs/dbraw/zinc/81/83/22/649818322.db2.gz LWZFXPHCWTUVBZ-UHFFFAOYSA-N 0 0 287.315 2.850 20 10 CFCDRN O=C(NCc1ccco1)NCc1ccc(N2CCCC2)cc1 ZINC000031091062 778555878 /nfs/dbraw/zinc/55/58/78/778555878.db2.gz FANLEIDJRPZJCN-UHFFFAOYSA-N 0 0 299.374 2.879 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237493090 779691144 /nfs/dbraw/zinc/69/11/44/779691144.db2.gz VLDMSEPQKLANTO-HNNXBMFYSA-N 0 0 275.392 2.949 20 10 CFCDRN CS[C@@H](C)CC[N@@H+]1CCc2cccc(O)c2C1 ZINC001208156777 769882995 /nfs/dbraw/zinc/88/29/95/769882995.db2.gz YTMTYHVOLWQBCT-NSHDSACASA-N 0 0 251.395 2.892 20 10 CFCDRN COc1ccc(N)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766329 770131055 /nfs/dbraw/zinc/13/10/55/770131055.db2.gz OLARBFJHHAXUGN-UHFFFAOYSA-N 0 0 271.320 2.825 20 10 CFCDRN CCc1cccc(C(=O)NCc2cc(C)ccc2O)c1O ZINC001167293946 770226949 /nfs/dbraw/zinc/22/69/49/770226949.db2.gz VTFFIYWAZZQVMI-UHFFFAOYSA-N 0 0 285.343 2.899 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Cc2cc(F)ccc2F)c1 ZINC001167294102 770228373 /nfs/dbraw/zinc/22/83/73/770228373.db2.gz YPPHRDLZTUWVLC-UHFFFAOYSA-N 0 0 291.297 2.838 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cn[nH]c1 ZINC000038005834 770285490 /nfs/dbraw/zinc/28/54/90/770285490.db2.gz VUADOBXHXJFQSM-UHFFFAOYSA-N 0 0 272.135 2.712 20 10 CFCDRN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001210474731 770292376 /nfs/dbraw/zinc/29/23/76/770292376.db2.gz IOOFSUWWICHWBX-SECBINFHSA-N 0 0 289.206 2.883 20 10 CFCDRN COC(=O)c1cc(C)cc(Nc2cccc(O)c2O)c1 ZINC001211175254 770448505 /nfs/dbraw/zinc/44/85/05/770448505.db2.gz MFBFQRUNDOCWTE-UHFFFAOYSA-N 0 0 273.288 2.936 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC000588403276 770531003 /nfs/dbraw/zinc/53/10/03/770531003.db2.gz DJMCZBSNLGBIDU-VURMDHGXSA-N 0 0 281.311 2.700 20 10 CFCDRN C[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403480 770532184 /nfs/dbraw/zinc/53/21/84/770532184.db2.gz LFTYGKCIYQJWOQ-JYKYSHPRSA-N 0 0 261.321 2.512 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000588405142 770534797 /nfs/dbraw/zinc/53/47/97/770534797.db2.gz MANZEXSHUXXUCG-IRQMKAKQSA-N 0 0 287.359 2.760 20 10 CFCDRN CN(C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N)cc1 ZINC000721475942 770550600 /nfs/dbraw/zinc/55/06/00/770550600.db2.gz BWCFCFNMWONSJJ-NEPJUHHUSA-N 0 0 274.286 2.815 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000588408841 770551835 /nfs/dbraw/zinc/55/18/35/770551835.db2.gz QVMDTGOAMCKFGI-DGMVEKRQSA-N 0 0 280.327 2.951 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc(C)c(C)cc1O ZINC000127949855 770943438 /nfs/dbraw/zinc/94/34/38/770943438.db2.gz VLJIRDSXQROHIF-UHFFFAOYSA-N 0 0 279.380 2.784 20 10 CFCDRN CSC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583421 770963106 /nfs/dbraw/zinc/96/31/06/770963106.db2.gz FXXIPIZZTDVZPS-UHFFFAOYSA-N 0 0 273.348 2.998 20 10 CFCDRN Cc1c(O)ccc(CN(C)CC(=O)c2ccccc2)c1O ZINC001140748332 775395821 /nfs/dbraw/zinc/39/58/21/775395821.db2.gz WFWWMGHYACSOON-UHFFFAOYSA-N 0 0 285.343 2.721 20 10 CFCDRN CCN(CC)c1ccc(CN2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001140850525 775564273 /nfs/dbraw/zinc/56/42/73/775564273.db2.gz NXDNMGXIHOVKQW-ZDUSSCGKSA-N 0 0 290.407 2.792 20 10 CFCDRN COC(=O)[C@@H]1CCC[C@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227938823 776334490 /nfs/dbraw/zinc/33/44/90/776334490.db2.gz FSTJMQPPTDKOGX-DOMZBBRYSA-N 0 0 277.364 2.863 20 10 CFCDRN COC(=O)[C@H]1CC[C@H](Oc2ccc(N(C)C)cc2)CC1 ZINC001227938602 776335114 /nfs/dbraw/zinc/33/51/14/776335114.db2.gz AKBKUYSAXPAUMA-MQMHXKEQSA-N 0 0 277.364 2.863 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)ccc(F)c1F ZINC000722315954 776446721 /nfs/dbraw/zinc/44/67/21/776446721.db2.gz DZVAFGSJUBLITH-AAEUAGOBSA-N 0 0 283.318 2.718 20 10 CFCDRN Nc1ccc(N(CCO)c2ccc3c(c2)CCCC3=O)cc1 ZINC001213104054 776464134 /nfs/dbraw/zinc/46/41/34/776464134.db2.gz NZGCKSXCLRVRPR-UHFFFAOYSA-N 0 0 296.370 2.918 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402056543 776785966 /nfs/dbraw/zinc/78/59/66/776785966.db2.gz PGPLENFGFLQXEB-NSHDSACASA-N 0 0 269.772 2.952 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447015 777221461 /nfs/dbraw/zinc/22/14/61/777221461.db2.gz NJPWYNILQDKCGO-JTQLQIEISA-N 0 0 299.317 2.958 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C[C@H]1C ZINC001231446408 777222060 /nfs/dbraw/zinc/22/20/60/777222060.db2.gz IPFOIKIKIJRSNP-VXGBXAGGSA-N 0 0 277.364 2.958 20 10 CFCDRN CCCC[N@H+](CC)Cc1ccc(C(=O)[O-])cc1O ZINC001231447851 777222210 /nfs/dbraw/zinc/22/22/10/777222210.db2.gz XCOCGTGUSMWSHJ-UHFFFAOYSA-N 0 0 251.326 2.712 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001231452258 777222896 /nfs/dbraw/zinc/22/28/96/777222896.db2.gz IZFWJAGUNOAEEL-UHFFFAOYSA-N 0 0 275.348 2.857 20 10 CFCDRN C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231450445 777223968 /nfs/dbraw/zinc/22/39/68/777223968.db2.gz FFFXGAOWYCQFID-NSHDSACASA-N 0 0 263.337 2.855 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231563119 777260766 /nfs/dbraw/zinc/26/07/66/777260766.db2.gz 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263.381 2.861 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@H](F)[C@@H](O)C1 ZINC001237078850 779002856 /nfs/dbraw/zinc/00/28/56/779002856.db2.gz YNZNHPVSZZCFFJ-ONGXEEELSA-N 0 0 294.153 2.604 20 10 CFCDRN COC[C@H]1CCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237085890 779009509 /nfs/dbraw/zinc/00/95/09/779009509.db2.gz KMFWNWNJXDTEJE-MRVPVSSYSA-N 0 0 276.163 2.920 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237124533 779019316 /nfs/dbraw/zinc/01/93/16/779019316.db2.gz NHJRFUJQBSLREP-LLVKDONJSA-N 0 0 298.789 2.855 20 10 CFCDRN CO[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1F ZINC001237135673 779023828 /nfs/dbraw/zinc/02/38/28/779023828.db2.gz KOZUNIQWQXZZTC-CMPLNLGQSA-N 0 0 293.260 2.580 20 10 CFCDRN C[C@H]1CC(=O)CCN1Cc1cccc(C(F)(F)F)c1O ZINC001233416051 779040357 /nfs/dbraw/zinc/04/03/57/779040357.db2.gz UMLZWYHZWBFNCT-VIFPVBQESA-N 0 0 287.281 2.964 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000698953924 779110701 /nfs/dbraw/zinc/11/07/01/779110701.db2.gz RIPMSROUGNKXNJ-LLVKDONJSA-N 0 0 295.688 2.809 20 10 CFCDRN CCOC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237484555 779117860 /nfs/dbraw/zinc/11/78/60/779117860.db2.gz FNHHKXZBESUDNK-AWEZNQCLSA-N 0 0 291.391 2.866 20 10 CFCDRN COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237616853 779144193 /nfs/dbraw/zinc/14/41/93/779144193.db2.gz ILCCWFRZUFAVGU-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001237622277 779146112 /nfs/dbraw/zinc/14/61/12/779146112.db2.gz PRPODTLCAOYCGQ-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN C[NH+]1CCC2(C[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC001237623651 779147318 /nfs/dbraw/zinc/14/73/18/779147318.db2.gz RWPOVQMBRUDJMT-UHFFFAOYSA-N 0 0 298.789 2.712 20 10 CFCDRN Cc1cc(Cl)cc(CN2Cc3cncnc3C2)c1O ZINC001237680808 779159513 /nfs/dbraw/zinc/15/95/13/779159513.db2.gz HVSJYRBHKBTYNK-UHFFFAOYSA-N 0 0 275.739 2.660 20 10 CFCDRN Cc1cc(O)c(CN2CCCC(=O)C2)cc1Br ZINC001237677771 779159949 /nfs/dbraw/zinc/15/99/49/779159949.db2.gz DIXKUFIBXBAGRZ-UHFFFAOYSA-N 0 0 298.180 2.628 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC(=O)[C@H](F)CC2)c1O ZINC001237681768 779161611 /nfs/dbraw/zinc/16/16/11/779161611.db2.gz REHPJPWUQGSTDN-GFCCVEGCSA-N 0 0 285.746 2.857 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237800106 779181725 /nfs/dbraw/zinc/18/17/25/779181725.db2.gz XEPZBWGYVDFLDX-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237813585 779185488 /nfs/dbraw/zinc/18/54/88/779185488.db2.gz MBJBSARIFXPFKF-CYBMUJFWSA-N 0 0 298.789 2.855 20 10 CFCDRN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1c[nH]ccc1=O ZINC001237840157 779192859 /nfs/dbraw/zinc/19/28/59/779192859.db2.gz MAYWSEPAXQOXNB-UHFFFAOYSA-N 0 0 297.402 2.607 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237936363 779211478 /nfs/dbraw/zinc/21/14/78/779211478.db2.gz JARSPLRLMHXZOP-LBPRGKRZSA-N 0 0 298.789 2.855 20 10 CFCDRN C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237940202 779211892 /nfs/dbraw/zinc/21/18/92/779211892.db2.gz IUXFHLOODCKWGI-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237935205 779212194 /nfs/dbraw/zinc/21/21/94/779212194.db2.gz RIRJVMCETLVJGG-MRVPVSSYSA-N 0 0 271.719 2.596 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]12 ZINC001237943190 779212524 /nfs/dbraw/zinc/21/25/24/779212524.db2.gz LGONNSFEALOVOD-ONGXEEELSA-N 0 0 297.757 2.986 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001237949491 779215012 /nfs/dbraw/zinc/21/50/12/779215012.db2.gz NABXVZSALTXNQG-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001238055792 779240711 /nfs/dbraw/zinc/24/07/11/779240711.db2.gz DNXARWARBLILLS-OAHLLOKOSA-N 0 0 285.334 2.526 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001238059434 779241319 /nfs/dbraw/zinc/24/13/19/779241319.db2.gz CUCNUNKKMZOPIR-BLLLJJGKSA-N 0 0 281.371 2.823 20 10 CFCDRN Cc1cc(F)cc(CN2CCOCC23CCC3)c1O ZINC001238065758 779242876 /nfs/dbraw/zinc/24/28/76/779242876.db2.gz ANEXPTMENDPSDJ-UHFFFAOYSA-N 0 0 265.328 2.595 20 10 CFCDRN CCCCOc1ncc(-c2ccn(C)c(=O)c2)cc1C ZINC001238964448 779426729 /nfs/dbraw/zinc/42/67/29/779426729.db2.gz LKQTVLILQDTUMA-UHFFFAOYSA-N 0 0 272.348 2.935 20 10 CFCDRN CCOc1cc(C)c(-c2ccc3ncc(=O)n(C)c3c2)cn1 ZINC001238976252 779429710 /nfs/dbraw/zinc/42/97/10/779429710.db2.gz IFZNKHHVAGHNRB-UHFFFAOYSA-N 0 0 295.342 2.703 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2ccc(C)nc2C)nn1 ZINC001239450565 779574256 /nfs/dbraw/zinc/57/42/56/779574256.db2.gz HREJPHZDTIVPPC-UHFFFAOYSA-N 0 0 279.347 2.864 20 10 CFCDRN Cc1cnc(C)c(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001239902840 779852684 /nfs/dbraw/zinc/85/26/84/779852684.db2.gz SFYQPOIAIBWRSS-UHFFFAOYSA-N 0 0 265.316 2.612 20 10 CFCDRN COc1cncc(-c2ccn(CC(C)C)c(=O)c2)c1 ZINC001239931970 779868314 /nfs/dbraw/zinc/86/83/14/779868314.db2.gz CRQCVARYRRJSOO-UHFFFAOYSA-N 0 0 258.321 2.575 20 10 CFCDRN c1snnc1-c1nc(-c2cccc3cccnc32)no1 ZINC001212362741 779995427 /nfs/dbraw/zinc/99/54/27/779995427.db2.gz YUOGKEQKEOLHIT-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN COc1c(F)c(F)ccc1-c1noc(-c2csnn2)n1 ZINC001212364079 779998153 /nfs/dbraw/zinc/99/81/53/779998153.db2.gz CBSPWGWBEJRJDG-UHFFFAOYSA-N 0 0 296.258 2.542 20 10 CFCDRN Cc1nn(C)cc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001240303857 780060198 /nfs/dbraw/zinc/06/01/98/780060198.db2.gz PZMFMDNIDALQCI-UHFFFAOYSA-N 0 0 279.343 2.606 20 10 CFCDRN COc1cc(-c2noc(-c3nnsc3C)n2)ccc1F ZINC001212403006 780089853 /nfs/dbraw/zinc/08/98/53/780089853.db2.gz JEIXPXRWDLOUAX-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN CCOc1ccccc1-c1noc(-c2nnsc2C)n1 ZINC001212405262 780094131 /nfs/dbraw/zinc/09/41/31/780094131.db2.gz KSJOXCFTWSZNEC-UHFFFAOYSA-N 0 0 288.332 2.962 20 10 CFCDRN COc1ccc(-c2noc(-c3nnsc3C)n2)c(C)c1 ZINC001212405258 780094836 /nfs/dbraw/zinc/09/48/36/780094836.db2.gz KKISZTUUYWLWLP-UHFFFAOYSA-N 0 0 288.332 2.881 20 10 CFCDRN CCOc1ncccc1-c1ncnc2c1ccn2CCOC ZINC001240493806 780200912 /nfs/dbraw/zinc/20/09/12/780200912.db2.gz OPCGKFIBENPZSK-UHFFFAOYSA-N 0 0 298.346 2.538 20 10 CFCDRN CCOc1ncccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001240496904 780202986 /nfs/dbraw/zinc/20/29/86/780202986.db2.gz GBIWPTGBKWWGRQ-UHFFFAOYSA-N 0 0 270.332 2.719 20 10 CFCDRN Cc1n[nH]cc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001240522490 780229314 /nfs/dbraw/zinc/22/93/14/780229314.db2.gz GNEQRQYSIIFLKF-UHFFFAOYSA-N 0 0 265.316 2.595 20 10 CFCDRN Cn1ccc(-c2cnc(Cl)n2[C@@H]2CCCCO2)cc1=O ZINC001240539233 780240044 /nfs/dbraw/zinc/24/00/44/780240044.db2.gz OBAUHHQYWHAWQJ-ZDUSSCGKSA-N 0 0 293.754 2.601 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@]23C[C@H]2CCCC3)cc1 ZINC000693583716 780245794 /nfs/dbraw/zinc/24/57/94/780245794.db2.gz XYHFHBMFNLOGMP-ABAIWWIYSA-N 0 0 259.353 2.971 20 10 CFCDRN COC(=O)c1nc(-c2ccc3ccn(C)c3c2)cnc1C ZINC001240572563 780264979 /nfs/dbraw/zinc/26/49/79/780264979.db2.gz YVOSBKCBRWCHGQ-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cn1ccc2ccc(-c3cncc(S(C)(=O)=O)c3)cc21 ZINC001240573605 780265811 /nfs/dbraw/zinc/26/58/11/780265811.db2.gz FMGISZVFLFEWFI-UHFFFAOYSA-N 0 0 286.356 2.644 20 10 CFCDRN Cn1ccc2ccc(-c3ccc4nccc(=O)n4c3)cc21 ZINC001240575006 780266468 /nfs/dbraw/zinc/26/64/68/780266468.db2.gz OMBJCIQHKNGGJK-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CCn1cc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001240652135 780328897 /nfs/dbraw/zinc/32/88/97/780328897.db2.gz KSGMJYVPYHZWHH-UHFFFAOYSA-N 0 0 297.333 2.919 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cncc(C(C)(C)O)c2)n1 ZINC001240665271 780336986 /nfs/dbraw/zinc/33/69/86/780336986.db2.gz RIDSZXXFZFDCGU-UHFFFAOYSA-N 0 0 282.347 2.566 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn([C@@H]3CCCCO3)c2)n1 ZINC001240672745 780346237 /nfs/dbraw/zinc/34/62/37/780346237.db2.gz DPZCWIVTSYMUAG-AWEZNQCLSA-N 0 0 297.362 2.839 20 10 CFCDRN Cn1ccc(-c2cncc(OC3CCCCC3)n2)cc1=O ZINC001240977654 780566824 /nfs/dbraw/zinc/56/68/24/780566824.db2.gz CLSUTURGQVQTEB-UHFFFAOYSA-N 0 0 285.347 2.554 20 10 CFCDRN Cc1ccc2cncc(-c3ccn(C)c(=O)c3)c2c1 ZINC001240986829 780573901 /nfs/dbraw/zinc/57/39/01/780573901.db2.gz WXFZDXAHGUAAMG-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cn1ccc(-c2cccnc2OC(C)(C)C)cc1=O ZINC001241143180 780664365 /nfs/dbraw/zinc/66/43/65/780664365.db2.gz MPODJACXKMOHJF-UHFFFAOYSA-N 0 0 258.321 2.625 20 10 CFCDRN Cc1cc(C2=CCN(c3ccccc3)CC2)cn(C)c1=O ZINC001241354652 780805674 /nfs/dbraw/zinc/80/56/74/780805674.db2.gz NQXCEJZFFFVDFM-UHFFFAOYSA-N 0 0 280.371 2.987 20 10 CFCDRN C[C@H]([NH2+]CC1SCCS1)c1ccc(F)cc1[O-] ZINC000703057225 780986000 /nfs/dbraw/zinc/98/60/00/780986000.db2.gz AXELBQQWSXFJNB-QMMMGPOBSA-N 0 0 273.398 2.988 20 10 CFCDRN COCCC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703263577 781001214 /nfs/dbraw/zinc/00/12/14/781001214.db2.gz VTDIVCPCCQVVHA-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703364303 781010471 /nfs/dbraw/zinc/01/04/71/781010471.db2.gz KNQJTOJYYVYHLB-JTQLQIEISA-N 0 0 271.307 2.718 20 10 CFCDRN COC(C)(C)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703543195 781025514 /nfs/dbraw/zinc/02/55/14/781025514.db2.gz SGSOXVBFKQGWOQ-UHFFFAOYSA-N 0 0 259.296 2.527 20 10 CFCDRN CSc1ccc(-c2ccc3ncc(=O)n(C)c3c2)cn1 ZINC001241633421 781034050 /nfs/dbraw/zinc/03/40/50/781034050.db2.gz FJMWJMDIKSDOMG-UHFFFAOYSA-N 0 0 283.356 2.717 20 10 CFCDRN CC(C)OCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703608414 781038957 /nfs/dbraw/zinc/03/89/57/781038957.db2.gz FFXUOTIBXLXBGE-UHFFFAOYSA-N 0 0 273.323 2.917 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2ncn(C)c2n1 ZINC001241823351 781144892 /nfs/dbraw/zinc/14/48/92/781144892.db2.gz NTZGVMLTLAPTJE-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN CNC(=O)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241821948 781144958 /nfs/dbraw/zinc/14/49/58/781144958.db2.gz BDNOVHCNQLHGIJ-UHFFFAOYSA-N 0 0 265.316 2.600 20 10 CFCDRN Cn1c(=O)cc(-c2cnn(C3CC3)c2)c2ccccc21 ZINC001241911581 781176927 /nfs/dbraw/zinc/17/69/27/781176927.db2.gz KMXKPVYRVLOVDV-UHFFFAOYSA-N 0 0 265.316 2.737 20 10 CFCDRN CC(=O)N1CC=C(c2ccc(N3CCCC3)cc2)CC1 ZINC001241970247 781212050 /nfs/dbraw/zinc/21/20/50/781212050.db2.gz SMGMQIVWKLAEDR-UHFFFAOYSA-N 0 0 270.376 2.922 20 10 CFCDRN CC(C)N(CC[NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000708393284 781271805 /nfs/dbraw/zinc/27/18/05/781271805.db2.gz BMNITWZRBVGWDX-UHFFFAOYSA-N 0 0 286.366 2.879 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393834 781272047 /nfs/dbraw/zinc/27/20/47/781272047.db2.gz JTNBCGLYBKKRSX-YDEXJTGXSA-N 0 0 271.307 2.572 20 10 CFCDRN CO[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1C ZINC000708413663 781273068 /nfs/dbraw/zinc/27/30/68/781273068.db2.gz MPSIQCXZRNABBI-NOZJJQNGSA-N 0 0 271.307 2.527 20 10 CFCDRN COC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708414788 781273488 /nfs/dbraw/zinc/27/34/88/781273488.db2.gz SPCYTRKUJWBVTI-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414223 781274041 /nfs/dbraw/zinc/27/40/41/781274041.db2.gz PKUOOBTWVOFSDV-SKDRFNHKSA-N 0 0 271.307 2.670 20 10 CFCDRN CCOC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708443568 781274928 /nfs/dbraw/zinc/27/49/28/781274928.db2.gz PGVZSMTUXIFNKM-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC000709028182 781287735 /nfs/dbraw/zinc/28/77/35/781287735.db2.gz NVSDLTOUFQOVCY-CQSZACIVSA-N 0 0 299.798 2.911 20 10 CFCDRN CCOCCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708502237 781290988 /nfs/dbraw/zinc/29/09/88/781290988.db2.gz KMYOKEZXJHUVQR-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535886 781292204 /nfs/dbraw/zinc/29/22/04/781292204.db2.gz SGNORXLWQVSQRL-NSHDSACASA-N 0 0 273.323 2.557 20 10 CFCDRN CCc1ncccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001242523102 781563757 /nfs/dbraw/zinc/56/37/57/781563757.db2.gz IDQGNBVSGKEFMP-UHFFFAOYSA-N 0 0 254.333 2.883 20 10 CFCDRN CCn1ccc(-c2cncc(N3CCCC3)c2)cc1=O ZINC001242622053 781652407 /nfs/dbraw/zinc/65/24/07/781652407.db2.gz GLVQNBCAAUJHGY-UHFFFAOYSA-N 0 0 269.348 2.530 20 10 CFCDRN CCn1ccc(-c2ccccc2-n2cccn2)cc1=O ZINC001242712732 781714026 /nfs/dbraw/zinc/71/40/26/781714026.db2.gz ICHLIQZGEBDCSN-UHFFFAOYSA-N 0 0 265.316 2.721 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cncc(CO)c3)cc2n1C ZINC001242972206 781892251 /nfs/dbraw/zinc/89/22/51/781892251.db2.gz MKWCKLPJYVERBI-UHFFFAOYSA-N 0 0 296.326 2.519 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000295037784 199313132 /nfs/dbraw/zinc/31/31/32/199313132.db2.gz PDNZYAMMLJEPQD-NOZJJQNGSA-N 0 0 282.340 2.501 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CC1(F)F ZINC000335545058 282295605 /nfs/dbraw/zinc/29/56/05/282295605.db2.gz ROEJVICNVXAYIJ-AWEZNQCLSA-N 0 0 296.317 2.523 20 10 CFCDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276704836 282309177 /nfs/dbraw/zinc/30/91/77/282309177.db2.gz URXKDZSDGNSKMW-NSHDSACASA-N 0 0 296.367 2.892 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615756 282314405 /nfs/dbraw/zinc/31/44/05/282314405.db2.gz XHQKGNPQXJGKMU-SNVBAGLBSA-N 0 0 282.340 2.502 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000295113371 199351703 /nfs/dbraw/zinc/35/17/03/199351703.db2.gz XPFMHXBQDXDWKP-ZANVPECISA-N 0 0 255.333 2.731 20 10 CFCDRN CC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000031726452 346296313 /nfs/dbraw/zinc/29/63/13/346296313.db2.gz VXHWJJQJAHBTBU-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C)cn1 ZINC000052851237 346529278 /nfs/dbraw/zinc/52/92/78/346529278.db2.gz ORNCKZGXFULEJA-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2CCCC2)cc1 ZINC000060678560 346670959 /nfs/dbraw/zinc/67/09/59/346670959.db2.gz HGOCVLLXYJTTFD-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN COc1cccc(CNc2cc(Cl)nc(C)n2)c1O ZINC000066812685 346780825 /nfs/dbraw/zinc/78/08/25/346780825.db2.gz LFVLDIFSLNMUNW-UHFFFAOYSA-N 0 0 279.727 2.765 20 10 CFCDRN CCSCC[C@H](C)NC(=O)NCc1ccccc1O ZINC000076787312 347153304 /nfs/dbraw/zinc/15/33/04/347153304.db2.gz SWYOVFJRVGORMP-NSHDSACASA-N 0 0 282.409 2.723 20 10 CFCDRN Cc1cc(C(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC000078542242 347260765 /nfs/dbraw/zinc/26/07/65/347260765.db2.gz DJQZSRRDSCVMHJ-INIZCTEOSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)n1-c1ccccc1C ZINC000085378049 347479077 /nfs/dbraw/zinc/47/90/77/347479077.db2.gz BHGNFAMGOXXCEL-HNNXBMFYSA-N 0 0 298.386 2.609 20 10 CFCDRN Cc1cc(O)c(CN(CCCO)CC(F)(F)F)cc1C ZINC000093043752 347659492 /nfs/dbraw/zinc/65/94/92/347659492.db2.gz BJUGOUGGKAOWDU-UHFFFAOYSA-N 0 0 291.313 2.756 20 10 CFCDRN CC1(C)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265891758 540092006 /nfs/dbraw/zinc/09/20/06/540092006.db2.gz FRGGLPPXBAIOGB-OAHLLOKOSA-N 0 0 285.391 2.661 20 10 CFCDRN CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(F)cc1[O-] ZINC000287586812 540120232 /nfs/dbraw/zinc/12/02/32/540120232.db2.gz RJSRPPAMFBCRET-ZUOKHONESA-N 0 0 299.411 2.873 20 10 CFCDRN C[C@H]([NH2+]C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000191210840 299273655 /nfs/dbraw/zinc/27/36/55/299273655.db2.gz JPSLFKQTKIEREJ-QMMMGPOBSA-N 0 0 257.280 2.500 20 10 CFCDRN CCC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000297407427 200179502 /nfs/dbraw/zinc/17/95/02/200179502.db2.gz SWZMQWNHELFYJJ-CMPLNLGQSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000296306988 299389150 /nfs/dbraw/zinc/38/91/50/299389150.db2.gz GEGZWUWUSMVINU-GZMMTYOYSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000281155239 296125274 /nfs/dbraw/zinc/12/52/74/296125274.db2.gz OTFKGMWKZFAMDT-LLVKDONJSA-N 0 0 282.334 2.583 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276863528 296133198 /nfs/dbraw/zinc/13/31/98/296133198.db2.gz CYPGRWSNRQYYNQ-NXEZZACHSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290104542 296153641 /nfs/dbraw/zinc/15/36/41/296153641.db2.gz IETHNQSQPGKRFD-YGRLFVJLSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000377407383 296157270 /nfs/dbraw/zinc/15/72/70/296157270.db2.gz AEUXALAQVLTPHT-RKDXNWHRSA-N 0 0 293.317 2.602 20 10 CFCDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cn[nH]c1 ZINC000676866611 541800246 /nfs/dbraw/zinc/80/02/46/541800246.db2.gz KHMOTOZRYLZQQI-BJMVGYQFSA-N 0 0 298.733 2.717 20 10 CFCDRN O=S(=O)(Nc1ccc(O)cc1)c1cccc(Cl)c1 ZINC000034936937 372518515 /nfs/dbraw/zinc/51/85/15/372518515.db2.gz XOYMRVNKIVCTGO-UHFFFAOYSA-N 0 0 283.736 2.846 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000048114060 373146213 /nfs/dbraw/zinc/14/62/13/373146213.db2.gz QVDHRSVTGQDOOQ-CYBMUJFWSA-N 0 0 287.407 2.885 20 10 CFCDRN C/C=C/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000070980392 374211256 /nfs/dbraw/zinc/21/12/56/374211256.db2.gz PZPADVVRKJKYBL-BSWSSELBSA-N 0 0 258.365 2.843 20 10 CFCDRN Cn1ccc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000493483043 246602218 /nfs/dbraw/zinc/60/22/18/246602218.db2.gz BCZNKADOAWTKNJ-DJWKRKHSSA-N 0 0 297.314 2.536 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1O ZINC000089434092 374905554 /nfs/dbraw/zinc/90/55/54/374905554.db2.gz IQUDBIHFKZPPFX-UHFFFAOYSA-N 0 0 298.386 2.626 20 10 CFCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)CC(F)(F)F ZINC000111232976 375833237 /nfs/dbraw/zinc/83/32/37/375833237.db2.gz VURGRPPGLOKDAU-LBPRGKRZSA-N 0 0 289.297 2.936 20 10 CFCDRN COc1ccc(O)c(CNc2ccnc(C3CC3)n2)c1 ZINC000114450733 376066824 /nfs/dbraw/zinc/06/68/24/376066824.db2.gz YEYYDHKOHZEDBA-UHFFFAOYSA-N 0 0 271.320 2.680 20 10 CFCDRN CCOc1cc(N[C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000123763408 376977998 /nfs/dbraw/zinc/97/79/98/376977998.db2.gz YZPBEGUTTROWDZ-JTQLQIEISA-N 0 0 289.335 2.763 20 10 CFCDRN CC(C)CN(CC(C)C)C(=O)c1cccc(O)c1O ZINC000126278660 377220102 /nfs/dbraw/zinc/22/01/02/377220102.db2.gz QKGPLUQAOZZSDS-UHFFFAOYSA-N 0 0 265.353 2.852 20 10 CFCDRN Cc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2O)s1 ZINC000126439990 377228637 /nfs/dbraw/zinc/22/86/37/377228637.db2.gz JBFIWYKWYIYFGT-SECBINFHSA-N 0 0 291.372 2.829 20 10 CFCDRN Cc1cc(O)c(CNc2cc(C(=O)N(C)C)ccn2)cc1C ZINC000126936225 377254567 /nfs/dbraw/zinc/25/45/67/377254567.db2.gz PTNYZADTSZPFJH-UHFFFAOYSA-N 0 0 299.374 2.718 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000126961321 377256946 /nfs/dbraw/zinc/25/69/46/377256946.db2.gz JJYRVOIYLLAEJA-AOOOYVTPSA-N 0 0 255.745 2.655 20 10 CFCDRN CC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132011415 377792465 /nfs/dbraw/zinc/79/24/65/377792465.db2.gz ABIAKNKENFOWIQ-SNVBAGLBSA-N 0 0 255.745 2.656 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1 ZINC000133284462 377918847 /nfs/dbraw/zinc/91/88/47/377918847.db2.gz LMUXRGRNBXWPMS-UHFFFAOYSA-N 0 0 287.407 2.838 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000133465674 377931833 /nfs/dbraw/zinc/93/18/33/377931833.db2.gz DMNLGKQUXJUQGJ-HOCLYGCPSA-N 0 0 261.365 2.844 20 10 CFCDRN COc1ccc(N(C)Cc2nccs2)cc1F ZINC000135146135 378091552 /nfs/dbraw/zinc/09/15/52/378091552.db2.gz QSHQTTMYUZMSJQ-UHFFFAOYSA-N 0 0 252.314 2.927 20 10 CFCDRN CC[C@]1(C)CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000135736737 378161186 /nfs/dbraw/zinc/16/11/86/378161186.db2.gz LBHPJTNBRPVUPN-MRXNPFEDSA-N 0 0 295.354 2.735 20 10 CFCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccccc2O)o1 ZINC000175239814 380026587 /nfs/dbraw/zinc/02/65/87/380026587.db2.gz AXQDDRJDBVBGOG-UHFFFAOYSA-N 0 0 259.305 2.874 20 10 CFCDRN CO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177112970 380305328 /nfs/dbraw/zinc/30/53/28/380305328.db2.gz WOSLJXXLNDFUNL-ZDUSSCGKSA-N 0 0 297.782 2.859 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccn2)c(O)c1O ZINC000177676949 380365588 /nfs/dbraw/zinc/36/55/88/380365588.db2.gz RWVOOYBFSJEOAS-NSHDSACASA-N 0 0 286.331 2.634 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000178464633 380453701 /nfs/dbraw/zinc/45/37/01/380453701.db2.gz QFPWUIOKRVRKIZ-CHWSQXEVSA-N 0 0 275.396 2.693 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000178617133 380470053 /nfs/dbraw/zinc/47/00/53/380470053.db2.gz KNNOCSDZHRHLJN-NEPJUHHUSA-N 0 0 293.386 2.832 20 10 CFCDRN COc1cccc(CN2CCn3cccc3[C@H]2C)c1O ZINC000179567485 380559301 /nfs/dbraw/zinc/55/93/01/380559301.db2.gz OZIHDYRANKBWKQ-GFCCVEGCSA-N 0 0 272.348 2.779 20 10 CFCDRN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180419499 380655508 /nfs/dbraw/zinc/65/55/08/380655508.db2.gz ZKPBNBPADWCQMQ-NSHDSACASA-N 0 0 283.755 2.573 20 10 CFCDRN C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C ZINC000181119086 380744111 /nfs/dbraw/zinc/74/41/11/380744111.db2.gz VLLFDGPLKKFIRG-RQDOONKYSA-N 0 0 275.348 2.758 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CC[C@H](C)O2)s1 ZINC000295343825 380800766 /nfs/dbraw/zinc/80/07/66/380800766.db2.gz QDOWDQVYJGNONV-YUMQZZPRSA-N 0 0 273.379 2.589 20 10 CFCDRN CCCc1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000181672826 380861077 /nfs/dbraw/zinc/86/10/77/380861077.db2.gz SLCVQYZUJRFMOK-UHFFFAOYSA-N 0 0 260.341 2.700 20 10 CFCDRN C[C@@H](O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295515189 380909063 /nfs/dbraw/zinc/90/90/63/380909063.db2.gz ZMQHOVXRGXETKA-SECBINFHSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1nncn1C)c1cccc(Cl)c1[O-] ZINC000287789030 380940479 /nfs/dbraw/zinc/94/04/79/380940479.db2.gz SRHFQZKOFHDSEQ-CABZTGNLSA-N 0 0 294.786 2.976 20 10 CFCDRN CN(C)c1ccc(CNCc2noc3c2CCCC3)cc1 ZINC000288350086 381011729 /nfs/dbraw/zinc/01/17/29/381011729.db2.gz CARPYWVINUEVLH-UHFFFAOYSA-N 0 0 285.391 2.909 20 10 CFCDRN CC(=O)C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000288804336 381020861 /nfs/dbraw/zinc/02/08/61/381020861.db2.gz HAJZBDIZLBPHRM-UHFFFAOYSA-N 0 0 288.372 2.559 20 10 CFCDRN CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1C ZINC000289330331 381031824 /nfs/dbraw/zinc/03/18/24/381031824.db2.gz HOUVMBSUQTYQHW-UHFFFAOYSA-N 0 0 299.418 2.926 20 10 CFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C ZINC000289324655 381030586 /nfs/dbraw/zinc/03/05/86/381030586.db2.gz LFZYPVFSQUMMNE-LLVKDONJSA-N 0 0 274.368 2.671 20 10 CFCDRN CN(C)c1ccc(OCc2nnc3n2CCCCC3)cc1 ZINC000289403008 381032913 /nfs/dbraw/zinc/03/29/13/381032913.db2.gz OGRMDZVSQODJDN-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182513596 381104462 /nfs/dbraw/zinc/10/44/62/381104462.db2.gz HLDIQQHVKQDKOF-GFCCVEGCSA-N 0 0 295.379 2.555 20 10 CFCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182532957 381106467 /nfs/dbraw/zinc/10/64/67/381106467.db2.gz NRTAVFDQBYUGED-CYBMUJFWSA-N 0 0 299.370 2.901 20 10 CFCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182526285 381106578 /nfs/dbraw/zinc/10/65/78/381106578.db2.gz RRYIDAFNSSVDFO-MNOVXSKESA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182526318 381106935 /nfs/dbraw/zinc/10/69/35/381106935.db2.gz RRYIDAFNSSVDFO-GHMZBOCLSA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000295838000 381107544 /nfs/dbraw/zinc/10/75/44/381107544.db2.gz AIPWVNLXOZUNIV-UWVGGRQHSA-N 0 0 255.333 2.731 20 10 CFCDRN Cc1cnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC000182566142 381113415 /nfs/dbraw/zinc/11/34/15/381113415.db2.gz JVLMEJMOPMTTRW-VIFPVBQESA-N 0 0 292.360 2.662 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccccc1)CC2 ZINC000296012551 381210255 /nfs/dbraw/zinc/21/02/55/381210255.db2.gz OZYMIGDCHAUYSX-GOEBONIOSA-N 0 0 269.344 2.703 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@](C)(F)C2)cc1 ZINC000296121724 381265585 /nfs/dbraw/zinc/26/55/85/381265585.db2.gz BKQUJZLASWMLSA-INIZCTEOSA-N 0 0 293.386 2.786 20 10 CFCDRN CCC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183421457 381269948 /nfs/dbraw/zinc/26/99/48/381269948.db2.gz YVHOBMVOGFKFAA-MNOVXSKESA-N 0 0 265.353 2.581 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCCCC2(F)F)c(O)c1O ZINC000296154330 381277859 /nfs/dbraw/zinc/27/78/59/381277859.db2.gz SIGYMLYWBGOQNZ-SNVBAGLBSA-N 0 0 299.317 2.962 20 10 CFCDRN COc1ccc(O)c(CN2CCn3cccc3[C@H]2C)c1 ZINC000183512369 381282219 /nfs/dbraw/zinc/28/22/19/381282219.db2.gz JSDILHDQJSWEDV-GFCCVEGCSA-N 0 0 272.348 2.779 20 10 CFCDRN CC[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000290266661 381365155 /nfs/dbraw/zinc/36/51/55/381365155.db2.gz VTSOXHPNAVCGTK-RKDXNWHRSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296423255 381389220 /nfs/dbraw/zinc/38/92/20/381389220.db2.gz LNBZBRIOHWNTTB-WDEREUQCSA-N 0 0 282.340 2.502 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H](O)C(F)F ZINC000296535856 381437284 /nfs/dbraw/zinc/43/72/84/381437284.db2.gz QRTOAQPHYUYFKT-VHRDEZTHSA-N 0 0 277.286 2.587 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCCC(C)=O ZINC000184870350 381490781 /nfs/dbraw/zinc/49/07/81/381490781.db2.gz GPXRQAFHWNANBB-UHFFFAOYSA-N 0 0 277.364 2.890 20 10 CFCDRN COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000296855735 381545323 /nfs/dbraw/zinc/54/53/23/381545323.db2.gz CTTUZBFTYQEGRH-CYBMUJFWSA-N 0 0 298.386 2.772 20 10 CFCDRN Cc1nc(CCCC(=O)NCc2ccc(N)cc2)cs1 ZINC000296831742 381545607 /nfs/dbraw/zinc/54/56/07/381545607.db2.gz BESCTNNKHPVWAP-UHFFFAOYSA-N 0 0 289.404 2.673 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000297159257 381552831 /nfs/dbraw/zinc/55/28/31/381552831.db2.gz CSKKRMXTRHYJSK-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1[O-] ZINC000185052297 381522077 /nfs/dbraw/zinc/52/20/77/381522077.db2.gz UOWRTDJTATXJSQ-LLVKDONJSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1[O-] ZINC000185373043 381614912 /nfs/dbraw/zinc/61/49/12/381614912.db2.gz HAIMBKIBDIGQPV-LLVKDONJSA-N 0 0 275.323 2.874 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O ZINC000371469083 381633744 /nfs/dbraw/zinc/63/37/44/381633744.db2.gz CYEXEZWVCCBBIA-NUEKZKHPSA-N 0 0 275.392 2.946 20 10 CFCDRN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000371875985 381715959 /nfs/dbraw/zinc/71/59/59/381715959.db2.gz IJRRZIFMIBCVCT-INIZCTEOSA-N 0 0 287.334 2.971 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(F)c(F)c1[O-] ZINC000372980044 381902462 /nfs/dbraw/zinc/90/24/62/381902462.db2.gz MYWAFJJJIJDQAG-PSASIEDQSA-N 0 0 293.317 2.602 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCOCC2)cc1 ZINC000373350899 381985081 /nfs/dbraw/zinc/98/50/81/381985081.db2.gz QPQLBKHXDZLDGM-OAHLLOKOSA-N 0 0 290.407 2.528 20 10 CFCDRN Oc1ccccc1CN1CCOc2cccc(F)c2C1 ZINC000375009488 382063770 /nfs/dbraw/zinc/06/37/70/382063770.db2.gz WUVPJCYDODETLZ-UHFFFAOYSA-N 0 0 273.307 2.926 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000375011262 382065905 /nfs/dbraw/zinc/06/59/05/382065905.db2.gz FCRVDTSYCRVWSL-BETUJISGSA-N 0 0 267.756 2.717 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(F)cc1[O-] ZINC000375805477 382104004 /nfs/dbraw/zinc/10/40/04/382104004.db2.gz MDRYQTKCEVSVIR-JSGCOSHPSA-N 0 0 289.354 2.853 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]1c1ccccc1 ZINC000187148264 382110239 /nfs/dbraw/zinc/11/02/39/382110239.db2.gz YUOHVNFKBPRYSY-NHYWBVRUSA-N 0 0 283.327 2.931 20 10 CFCDRN C[C@H]1[N@H+](Cc2ccccc2O)CCC12CCOCC2 ZINC000375240465 382072898 /nfs/dbraw/zinc/07/28/98/382072898.db2.gz XIAUKKUOYITJNK-CYBMUJFWSA-N 0 0 261.365 2.783 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1F ZINC000375334218 382081987 /nfs/dbraw/zinc/08/19/87/382081987.db2.gz RZWRZPIJMCFCRL-INIZCTEOSA-N 0 0 278.371 2.503 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000187106109 382099894 /nfs/dbraw/zinc/09/98/94/382099894.db2.gz XOLRGMVGRUVXNQ-VHSXEESVSA-N 0 0 281.377 2.502 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377237557 382238885 /nfs/dbraw/zinc/23/88/85/382238885.db2.gz IPKVLWITJBEQRC-NEPJUHHUSA-N 0 0 281.783 2.904 20 10 CFCDRN CC(C)OCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293729782 382254321 /nfs/dbraw/zinc/25/43/21/382254321.db2.gz WGRJGIYBVOIGLV-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293742696 382259519 /nfs/dbraw/zinc/25/95/19/382259519.db2.gz XJRADMFTZLWUFS-ISVAXAHUSA-N 0 0 275.751 2.681 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1O ZINC000293751083 382262958 /nfs/dbraw/zinc/26/29/58/382262958.db2.gz RISQHFIQLPBZQZ-GXTWGEPZSA-N 0 0 250.386 2.631 20 10 CFCDRN COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000377633985 382307809 /nfs/dbraw/zinc/30/78/09/382307809.db2.gz WESRWBMANAPYOP-SUMWQHHRSA-N 0 0 291.391 2.964 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCN3C)o1 ZINC000364356589 382315784 /nfs/dbraw/zinc/31/57/84/382315784.db2.gz CVLPVJGBGKYJPK-UHFFFAOYSA-N 0 0 270.332 2.510 20 10 CFCDRN COc1ccc(N(C[C@@H](O)CSC)C(C)C)cc1F ZINC000188047224 382333569 /nfs/dbraw/zinc/33/35/69/382333569.db2.gz AFYVFERTTNFUQO-GFCCVEGCSA-N 0 0 287.400 2.773 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377790030 382346209 /nfs/dbraw/zinc/34/62/09/382346209.db2.gz WDZHEIMATZVZQP-QMMMGPOBSA-N 0 0 295.745 2.555 20 10 CFCDRN O=C1O[C@@H](CSc2nccs2)CC12CCC2 ZINC000187910962 382294250 /nfs/dbraw/zinc/29/42/50/382294250.db2.gz DOVUAGRFPGBPAO-MRVPVSSYSA-N 0 0 255.364 2.721 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000365266761 382370528 /nfs/dbraw/zinc/37/05/28/382370528.db2.gz LMBDVRJOLKJHRV-ZWNOBZJWSA-N 0 0 298.789 2.711 20 10 CFCDRN COC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H](C)O1 ZINC000188336221 382394749 /nfs/dbraw/zinc/39/47/49/382394749.db2.gz BTSCVWSLJMDDQJ-RISCZKNCSA-N 0 0 299.798 2.590 20 10 CFCDRN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000294149807 382435031 /nfs/dbraw/zinc/43/50/31/382435031.db2.gz VHQGYOFJBQTNSC-INIZCTEOSA-N 0 0 281.371 2.762 20 10 CFCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000365554547 382412091 /nfs/dbraw/zinc/41/20/91/382412091.db2.gz DQQNZKWAQSZGMH-BDJLRTHQSA-N 0 0 275.348 2.750 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC=C(c2ccc(F)cc2)C1 ZINC000365553362 382412608 /nfs/dbraw/zinc/41/26/08/382412608.db2.gz HHUPGFMBXWPIJG-UHFFFAOYSA-N 0 0 299.301 2.776 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378446065 382462346 /nfs/dbraw/zinc/46/23/46/382462346.db2.gz XUULDRGZLPFFAO-LLVKDONJSA-N 0 0 292.770 2.543 20 10 CFCDRN COc1ccc(O)c(CN[C@H]2COc3cccc(F)c32)c1 ZINC000378629165 382494541 /nfs/dbraw/zinc/49/45/41/382494541.db2.gz DLPUISINUNAITR-ZDUSSCGKSA-N 0 0 289.306 2.763 20 10 CFCDRN Oc1ccc(F)cc1CNc1cnc2c(c1)COCC2 ZINC000378491250 382473228 /nfs/dbraw/zinc/47/32/28/382473228.db2.gz GHXSXZCBAVGNMK-UHFFFAOYSA-N 0 0 274.295 2.611 20 10 CFCDRN CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000367306941 382563729 /nfs/dbraw/zinc/56/37/29/382563729.db2.gz BTEZHUVYAJGBDY-MRVWCRGKSA-N 0 0 277.364 2.584 20 10 CFCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295249691 382599247 /nfs/dbraw/zinc/59/92/47/382599247.db2.gz GSJGZRDFWCDTJU-ZIAGYGMSSA-N 0 0 291.391 2.973 20 10 CFCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC000189420096 382606323 /nfs/dbraw/zinc/60/63/23/382606323.db2.gz LJLDQSCMXHSQIC-GFCCVEGCSA-N 0 0 289.297 2.979 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228174791 382845321 /nfs/dbraw/zinc/84/53/21/382845321.db2.gz RVBGKHPLQYXVPZ-CHWSQXEVSA-N 0 0 267.756 2.799 20 10 CFCDRN CCOC[C@H](O)CN(c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000246972864 383126916 /nfs/dbraw/zinc/12/69/16/383126916.db2.gz VNMUKHXPLXUVGJ-CZUORRHYSA-N 0 0 293.407 2.698 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[C@@H](C)C1 ZINC000246836842 383111272 /nfs/dbraw/zinc/11/12/72/383111272.db2.gz HDDHARCMIUODSG-JYAVWHMHSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000251807960 383396302 /nfs/dbraw/zinc/39/63/02/383396302.db2.gz MGCQCVMYBFQENC-TYNCELHUSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(F)cc1[O-] ZINC000252060300 383403222 /nfs/dbraw/zinc/40/32/22/383403222.db2.gz ZTKUYBZJIVQJSQ-FWHFQCOYSA-N 0 0 265.328 2.749 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1C[C@H]1C ZINC000471672552 383377691 /nfs/dbraw/zinc/37/76/91/383377691.db2.gz ZTEAUQBCHOLDDF-DGCLKSJQSA-N 0 0 285.391 2.942 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCSc2ccncc21 ZINC000255480197 383481998 /nfs/dbraw/zinc/48/19/98/383481998.db2.gz GUJWMPHIWVWVLR-ARJAWSKDSA-N 0 0 283.356 2.629 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1COC1 ZINC000530115821 383765632 /nfs/dbraw/zinc/76/56/32/383765632.db2.gz ZHJPATVHZCWCEB-UHFFFAOYSA-N 0 0 290.388 2.532 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ncnc2c1CCC2 ZINC000530376680 383770422 /nfs/dbraw/zinc/77/04/22/383770422.db2.gz FHKFALYCRIDJDZ-UHFFFAOYSA-N 0 0 292.386 2.799 20 10 CFCDRN CC1(C(=O)NCc2ccc(O)c(O)c2)CCC(F)(F)CC1 ZINC000528860436 383664194 /nfs/dbraw/zinc/66/41/94/383664194.db2.gz HMIWMSHKWFENPR-UHFFFAOYSA-N 0 0 299.317 2.930 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)CCC1 ZINC000277305493 384260736 /nfs/dbraw/zinc/26/07/36/384260736.db2.gz WEEVLGANJJBRHP-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000267947356 384496029 /nfs/dbraw/zinc/49/60/29/384496029.db2.gz JLKYPQLBTXFOLN-INIZCTEOSA-N 0 0 298.386 2.955 20 10 CFCDRN COc1ccc(N(C)CCn2nc(C)cc2C)cc1F ZINC000268153079 384548023 /nfs/dbraw/zinc/54/80/23/384548023.db2.gz HUIBSBCXTIJSLU-UHFFFAOYSA-N 0 0 277.343 2.784 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)no2)cc1F ZINC000268131326 384539053 /nfs/dbraw/zinc/53/90/53/384539053.db2.gz CNEZJGKWQNCZFO-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)C2CC2)cc1 ZINC000268419266 384619539 /nfs/dbraw/zinc/61/95/39/384619539.db2.gz QAPPOJGZICQFRU-QGZVFWFLSA-N 0 0 298.386 2.595 20 10 CFCDRN C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCc1ccccc1O ZINC000269120284 384727550 /nfs/dbraw/zinc/72/75/50/384727550.db2.gz FREIUDRHKLUVFH-ACJLOTCBSA-N 0 0 299.370 2.563 20 10 CFCDRN C[C@@H]1CC/C(=C\C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000270528910 385136240 /nfs/dbraw/zinc/13/62/40/385136240.db2.gz DFKHUAUJAOKWNM-BVRAVYJCSA-N 0 0 275.348 2.503 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CSC ZINC000282390714 385299094 /nfs/dbraw/zinc/29/90/94/385299094.db2.gz DLODWOHHMXOSAB-UHFFFAOYSA-N 0 0 267.394 2.884 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282390050 385299734 /nfs/dbraw/zinc/29/97/34/385299734.db2.gz RCUUKPCZMPFTOP-JSGCOSHPSA-N 0 0 279.380 2.790 20 10 CFCDRN CCN(Cc1ccn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000271008260 385300164 /nfs/dbraw/zinc/30/01/64/385300164.db2.gz OLNNMEYXYSGQHE-UHFFFAOYSA-N 0 0 272.396 2.508 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000271008253 385300246 /nfs/dbraw/zinc/30/02/46/385300246.db2.gz OLHAOZOZCUCCNB-JTQLQIEISA-N 0 0 276.163 2.656 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc(C)cn1 ZINC000282562326 385341791 /nfs/dbraw/zinc/34/17/91/385341791.db2.gz UJWIJWPPGJUOEK-UHFFFAOYSA-N 0 0 299.374 2.933 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCCOC ZINC000282618498 385354456 /nfs/dbraw/zinc/35/44/56/385354456.db2.gz ZQBBKELGDDTPIB-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN CC(=O)NC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271836547 385393458 /nfs/dbraw/zinc/39/34/58/385393458.db2.gz GBKBPUPVQZFTBC-UHFFFAOYSA-N 0 0 296.798 2.583 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000271835946 385394195 /nfs/dbraw/zinc/39/41/95/385394195.db2.gz PPHYRDRBIXBYEO-GFCCVEGCSA-N 0 0 281.739 2.770 20 10 CFCDRN CCC1(C(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000272173911 385465308 /nfs/dbraw/zinc/46/53/08/385465308.db2.gz GVGZKWGTOOOBDD-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCCCCN1CC(=O)N[C@@H]1c1ccc(N(C)C)c(F)c1 ZINC000272465147 385543735 /nfs/dbraw/zinc/54/37/35/385543735.db2.gz YGNXUCKVJBOSFI-INIZCTEOSA-N 0 0 293.386 2.512 20 10 CFCDRN CCCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000272476759 385548097 /nfs/dbraw/zinc/54/80/97/385548097.db2.gz QHAHMERZGIPMDS-WEVVVXLNSA-N 0 0 275.348 2.902 20 10 CFCDRN CC(F)(F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283963525 385518920 /nfs/dbraw/zinc/51/89/20/385518920.db2.gz ITPGIPGFQBOBRI-UHFFFAOYSA-N 0 0 268.307 2.558 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1ccc(F)cc1[O-] ZINC000285541638 385556420 /nfs/dbraw/zinc/55/64/20/385556420.db2.gz CDPHVHVLLBRQBY-WFBYXXMGSA-N 0 0 287.400 2.684 20 10 CFCDRN CC[C@@H]([NH2+]CCOC(C)C)c1ccc(F)cc1[O-] ZINC000286013223 385559514 /nfs/dbraw/zinc/55/95/14/385559514.db2.gz IGINZYHVGOXBFD-CYBMUJFWSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286069188 385559703 /nfs/dbraw/zinc/55/97/03/385559703.db2.gz LTQYPBISXPLINA-UKRRQHHQSA-N 0 0 297.370 2.768 20 10 CFCDRN Cc1nnc(N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000286248188 385577621 /nfs/dbraw/zinc/57/76/21/385577621.db2.gz IPQZTNZGLSEFJC-UHFFFAOYSA-N 0 0 272.352 2.613 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000272740458 385600869 /nfs/dbraw/zinc/60/08/69/385600869.db2.gz LXXRORPRJQODQV-GOSISDBHSA-N 0 0 299.370 2.648 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(F)cc1[O-] ZINC000286328891 385591068 /nfs/dbraw/zinc/59/10/68/385591068.db2.gz XWVBTXLPMUTZBN-ZWNOBZJWSA-N 0 0 255.333 2.855 20 10 CFCDRN Cc1nc2c(c(NCCc3ccc(O)c(O)c3)n1)CCCC2 ZINC000272814258 385623051 /nfs/dbraw/zinc/62/30/51/385623051.db2.gz CZTDSFNLTHHPOU-UHFFFAOYSA-N 0 0 299.374 2.730 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365437 385678755 /nfs/dbraw/zinc/67/87/55/385678755.db2.gz BFYPFJIQZRWENR-PSOPSSQASA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398333 385680871 /nfs/dbraw/zinc/68/08/71/385680871.db2.gz MLSSQRRLXIPPPX-CMPLNLGQSA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000273447833 385684571 /nfs/dbraw/zinc/68/45/71/385684571.db2.gz FNAQSDVOIBENHF-WCQYABFASA-N 0 0 295.354 2.868 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273602711 385691523 /nfs/dbraw/zinc/69/15/23/385691523.db2.gz SHDVYZLATMIFIS-YGRLFVJLSA-N 0 0 282.340 2.502 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1F ZINC000274034895 385705747 /nfs/dbraw/zinc/70/57/47/385705747.db2.gz AFBDHNHDQAONFR-UHFFFAOYSA-N 0 0 295.333 2.660 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCCC3(CC3)C2)cc1OC ZINC000274483215 385810890 /nfs/dbraw/zinc/81/08/90/385810890.db2.gz OMDOUIMNRJHXCK-UHFFFAOYSA-N 0 0 292.335 2.992 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CN(C)c2ccccc2)cc1 ZINC000007115589 393465743 /nfs/dbraw/zinc/46/57/43/393465743.db2.gz LHIXMSMRSBRRGB-UHFFFAOYSA-N 0 0 297.402 2.505 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3CCC3)C2)cc1 ZINC000374282562 393490645 /nfs/dbraw/zinc/49/06/45/393490645.db2.gz HZFYEWUNPXFGID-UHFFFAOYSA-N 0 0 270.376 2.778 20 10 CFCDRN CC1(CO)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000184073301 393523851 /nfs/dbraw/zinc/52/38/51/393523851.db2.gz UDRQOAHYWQEJGL-UHFFFAOYSA-N 0 0 269.772 2.640 20 10 CFCDRN COc1cccc(CNC(=O)C2CCCCC2)c1O ZINC000105653053 393864303 /nfs/dbraw/zinc/86/43/03/393864303.db2.gz DUOXYHOVJNMCDI-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN COc1ccsc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000105943689 393865618 /nfs/dbraw/zinc/86/56/18/393865618.db2.gz JGCMJVDIPBTHCK-UHFFFAOYSA-N 0 0 290.388 2.753 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NOCC(C)C ZINC000120822927 393941997 /nfs/dbraw/zinc/94/19/97/393941997.db2.gz MHKADJVKTDQBHJ-UHFFFAOYSA-N 0 0 280.368 2.901 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C)n2)cc1Cl ZINC000121850052 393961383 /nfs/dbraw/zinc/96/13/83/393961383.db2.gz CGPBSKKWIHEHGZ-UHFFFAOYSA-N 0 0 267.716 2.676 20 10 CFCDRN C[C@H]1CC[C@@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122315146 393967810 /nfs/dbraw/zinc/96/78/10/393967810.db2.gz ARZGBVXSNXPZCL-WCQYABFASA-N 0 0 277.364 2.583 20 10 CFCDRN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccccc1O ZINC000274371884 394042180 /nfs/dbraw/zinc/04/21/80/394042180.db2.gz KWYOTBVNBXWLQF-NSHDSACASA-N 0 0 289.404 2.588 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000281956920 394101096 /nfs/dbraw/zinc/10/10/96/394101096.db2.gz FWCDOVPCNULLTE-XJKCOSOUSA-N 0 0 290.407 2.525 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cnccc1C ZINC000492676915 394074375 /nfs/dbraw/zinc/07/43/75/394074375.db2.gz ITPSGARXDAAYGV-SNAWJCMRSA-N 0 0 273.361 2.831 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1C ZINC000492733524 394075549 /nfs/dbraw/zinc/07/55/49/394075549.db2.gz HNCBQDJWGXWPHY-MDZDMXLPSA-N 0 0 297.358 2.860 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCSc2ccccc21 ZINC000492774161 394076489 /nfs/dbraw/zinc/07/64/89/394076489.db2.gz WLMUQZBDTODPJH-SREVYHEPSA-N 0 0 285.372 2.952 20 10 CFCDRN CCc1cccc2c1N(C(=O)C=Cc1c[nH]cn1)CC2 ZINC000492900598 394093158 /nfs/dbraw/zinc/09/31/58/394093158.db2.gz NYSDJQOXQZWZNF-VOTSOKGWSA-N 0 0 267.332 2.575 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000493086009 394143675 /nfs/dbraw/zinc/14/36/75/394143675.db2.gz QFHXGVKAUOTVSK-VOTSOKGWSA-N 0 0 289.316 2.728 20 10 CFCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000493120331 394154350 /nfs/dbraw/zinc/15/43/50/394154350.db2.gz PXANADMAABXCLY-VOTSOKGWSA-N 0 0 285.303 2.610 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000287882942 394209894 /nfs/dbraw/zinc/20/98/94/394209894.db2.gz YOWNZVFLBVJUGJ-GXFFZTMASA-N 0 0 287.787 2.748 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@H]21 ZINC000365238541 394230198 /nfs/dbraw/zinc/23/01/98/394230198.db2.gz AVTRSVHYDSXJCJ-ZWNOBZJWSA-N 0 0 298.789 2.711 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCC(=O)Nc2ccccc21 ZINC000493425647 394239075 /nfs/dbraw/zinc/23/90/75/394239075.db2.gz DQVZOEFYUQQYCK-AATRIKPKSA-N 0 0 299.355 2.532 20 10 CFCDRN COC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000293778874 292108531 /nfs/dbraw/zinc/10/85/31/292108531.db2.gz SSUKEOMICBXNSR-LLVKDONJSA-N 0 0 294.351 2.910 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](C)NC(=O)c3ccccc32)c1 ZINC000378136099 292165061 /nfs/dbraw/zinc/16/50/61/292165061.db2.gz XGBCJORGLDDZDF-ZDUSSCGKSA-N 0 0 296.370 2.839 20 10 CFCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(O)c1O ZINC000272963751 287100265 /nfs/dbraw/zinc/10/02/65/287100265.db2.gz JWTHXWKGGCADOE-GHMZBOCLSA-N 0 0 263.337 2.809 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000038088667 174101215 /nfs/dbraw/zinc/10/12/15/174101215.db2.gz JAZQRZPYHUYJLP-QMMMGPOBSA-N 0 0 277.195 2.739 20 10 CFCDRN Oc1cc2c(cc1CNc1ccccc1F)OCO2 ZINC000042879263 174901590 /nfs/dbraw/zinc/90/15/90/174901590.db2.gz CQHIZLVNISHQPL-UHFFFAOYSA-N 0 0 261.252 2.872 20 10 CFCDRN O=[N+]([O-])c1cc(F)ccc1NCCc1ccc(O)c(O)c1 ZINC000301513003 227568519 /nfs/dbraw/zinc/56/85/19/227568519.db2.gz FTIXNRQZYHFGQF-UHFFFAOYSA-N 0 0 292.266 2.800 20 10 CFCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187686871 292625132 /nfs/dbraw/zinc/62/51/32/292625132.db2.gz HLTBUFMZAGTXAO-BDAKNGLRSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1cnc(F)c(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001243166135 782027690 /nfs/dbraw/zinc/02/76/90/782027690.db2.gz FJIQLLOMEZRXCW-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN Cc1cnc(F)c(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001243166609 782029224 /nfs/dbraw/zinc/02/92/24/782029224.db2.gz LVUJXSLBURMOBO-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(OC)cc1 ZINC000491169504 261357667 /nfs/dbraw/zinc/35/76/67/261357667.db2.gz YWJIBRVVIUWMMU-RUDMXATFSA-N 0 0 283.331 2.552 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccccc1OC ZINC000491183509 261364269 /nfs/dbraw/zinc/36/42/69/261364269.db2.gz CAHJKEIIZNTHFW-CMDGGOBGSA-N 0 0 283.331 2.552 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000185191470 262044843 /nfs/dbraw/zinc/04/48/43/262044843.db2.gz ZCWWRJUKTBXIRQ-OLZOCXBDSA-N 0 0 278.371 2.800 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000185191448 262045455 /nfs/dbraw/zinc/04/54/55/262045455.db2.gz ZCWWRJUKTBXIRQ-STQMWFEESA-N 0 0 278.371 2.800 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)NCc1ccccc1O ZINC000299557029 263246935 /nfs/dbraw/zinc/24/69/35/263246935.db2.gz MJDGZVABCFTFOY-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H](O)C1CCCCCCC1 ZINC000934934849 649858156 /nfs/dbraw/zinc/85/81/56/649858156.db2.gz CAALSZUFKGPKQQ-MRXNPFEDSA-N 0 0 291.391 2.730 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1O ZINC000934941054 649859276 /nfs/dbraw/zinc/85/92/76/649859276.db2.gz WBVBAWVEISBUNN-VZZFWQQMSA-N 0 0 289.375 2.699 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1O ZINC000934941052 649859337 /nfs/dbraw/zinc/85/93/37/649859337.db2.gz WBVBAWVEISBUNN-DOERSZECSA-N 0 0 289.375 2.699 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)C=CCC2)c1 ZINC000934940083 649859384 /nfs/dbraw/zinc/85/93/84/649859384.db2.gz HQQLHKYLZWLEAQ-BDJLRTHQSA-N 0 0 275.348 2.934 20 10 CFCDRN C[C@@H]1C[C@@H]1c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC000368034848 267139237 /nfs/dbraw/zinc/13/92/37/267139237.db2.gz GCDHPEZBZVHACP-KOLCDFICSA-N 0 0 287.315 2.744 20 10 CFCDRN C[C@@H](CC1CCCC1)C(=O)NCc1ccc(O)cc1O ZINC000827622914 782039233 /nfs/dbraw/zinc/03/92/33/782039233.db2.gz OSSHBTQJRWIKIS-NSHDSACASA-N 0 0 277.364 2.930 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H]1c1ncon1 ZINC000371380954 267397071 /nfs/dbraw/zinc/39/70/71/267397071.db2.gz BZTMTNGFJKARRM-LLVKDONJSA-N 0 0 279.727 2.766 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3(C)CC3)C2)cc1 ZINC000371559630 267428100 /nfs/dbraw/zinc/42/81/00/267428100.db2.gz KAFQNPPWFRMMRW-UHFFFAOYSA-N 0 0 270.376 2.778 20 10 CFCDRN CSCCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371616016 267436977 /nfs/dbraw/zinc/43/69/77/267436977.db2.gz KLGMABQMKXQPFH-UHFFFAOYSA-N 0 0 290.432 2.731 20 10 CFCDRN CN1CCc2cc(CNC(=O)NCC3(C4CC4)CC3)ccc21 ZINC000372480041 267570284 /nfs/dbraw/zinc/57/02/84/267570284.db2.gz AZEWOJIPIHXZCI-UHFFFAOYSA-N 0 0 299.418 2.668 20 10 CFCDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@H]2CO)cc1 ZINC000372643410 267586994 /nfs/dbraw/zinc/58/69/94/267586994.db2.gz VIDGYGFAZKMQBW-HNNXBMFYSA-N 0 0 298.377 2.735 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(O)cc1O ZINC000827805786 782044067 /nfs/dbraw/zinc/04/40/67/782044067.db2.gz WMSBHDXRZGGWCA-NWDGAFQWSA-N 0 0 277.364 2.930 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ncnn2C)cc1 ZINC000276662950 276121072 /nfs/dbraw/zinc/12/10/72/276121072.db2.gz JSHRLDRRYXBWDG-ZDUSSCGKSA-N 0 0 287.411 2.512 20 10 CFCDRN CC[C@H]([NH2+]CC(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287604896 288035658 /nfs/dbraw/zinc/03/56/58/288035658.db2.gz ITOVKGQJJCASCA-LBPRGKRZSA-N 0 0 284.787 2.565 20 10 CFCDRN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C)c(O)c1O ZINC000272963757 288244558 /nfs/dbraw/zinc/24/45/58/288244558.db2.gz JWTHXWKGGCADOE-QWRGUYRKSA-N 0 0 263.337 2.809 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3ncccc32)c1 ZINC000158279435 281648036 /nfs/dbraw/zinc/64/80/36/281648036.db2.gz CECYDNYBYRIQEJ-URWSZGRFSA-N 0 0 295.342 2.612 20 10 CFCDRN COCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187686893 292676952 /nfs/dbraw/zinc/67/69/52/292676952.db2.gz HLTBUFMZAGTXAO-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@H](C1CC1)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000237477710 289399215 /nfs/dbraw/zinc/39/92/15/289399215.db2.gz VLVCTVBFWINUGI-LLVKDONJSA-N 0 0 258.365 2.601 20 10 CFCDRN COc1cc(O)c(CN(CC(F)F)C2CC2)cc1OC ZINC000160161473 295003676 /nfs/dbraw/zinc/00/36/76/295003676.db2.gz KBBPFVJJGFFIIJ-UHFFFAOYSA-N 0 0 287.306 2.639 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000126269303 304549452 /nfs/dbraw/zinc/54/94/52/304549452.db2.gz QGDHUQFGVXWHQZ-YPMHNXCESA-N 0 0 275.348 2.893 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000295140811 298324058 /nfs/dbraw/zinc/32/40/58/298324058.db2.gz ZOCBRUAOYLGYAR-SECBINFHSA-N 0 0 257.761 2.685 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC(C)(C)C2)c(O)c1O ZINC000182435409 301497575 /nfs/dbraw/zinc/49/75/75/301497575.db2.gz WQEFDJSBWRLGND-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c(O)c1O ZINC000182534465 301518505 /nfs/dbraw/zinc/51/85/05/301518505.db2.gz JPBCNPMGPSSAIL-ONGXEEELSA-N 0 0 263.337 2.667 20 10 CFCDRN CCc1nc(C)c(C[NH2+]Cc2cccc(F)c2[O-])o1 ZINC000292720440 328467464 /nfs/dbraw/zinc/46/74/64/328467464.db2.gz FHGPRGUIIFNOGI-UHFFFAOYSA-N 0 0 264.300 2.680 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1cccnc1 ZINC000255550744 326993160 /nfs/dbraw/zinc/99/31/60/326993160.db2.gz ZQFIELINFAEDRM-DAXSKMNVSA-N 0 0 280.327 2.693 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C\c1cccnc1 ZINC000255714156 327006952 /nfs/dbraw/zinc/00/69/52/327006952.db2.gz SIZUAKAVQKKXJL-KHPPLWFESA-N 0 0 281.359 2.824 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1 ZINC000255890830 327025783 /nfs/dbraw/zinc/02/57/83/327025783.db2.gz PRSANROFJBRIDS-WAYWQWQTSA-N 0 0 271.295 2.682 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cn1 ZINC000255906470 327027804 /nfs/dbraw/zinc/02/78/04/327027804.db2.gz BTTGGEPUGCHVTI-ALCCZGGFSA-N 0 0 289.360 2.531 20 10 CFCDRN CN(C)c1ccc(CNc2cnc3c(c2)COCC3)cc1 ZINC000361125394 328914753 /nfs/dbraw/zinc/91/47/53/328914753.db2.gz LQOSXMFJMMNVKB-UHFFFAOYSA-N 0 0 283.375 2.832 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)(F)F ZINC000572113295 329945608 /nfs/dbraw/zinc/94/56/08/329945608.db2.gz FXZYPHDLNGBOGU-UHFFFAOYSA-N 0 0 295.333 2.941 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527790712 330283463 /nfs/dbraw/zinc/28/34/63/330283463.db2.gz SZCRIVHLTCGOFM-UHFFFAOYSA-N 0 0 288.174 2.968 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2CC=CC2)c1 ZINC000528144826 330309626 /nfs/dbraw/zinc/30/96/26/330309626.db2.gz BVTZNVWIORFTPQ-LLVKDONJSA-N 0 0 290.363 2.727 20 10 CFCDRN COc1cc(OC)cc(N(C)C(=O)/C=C\c2cccnc2)c1 ZINC000491964232 332377444 /nfs/dbraw/zinc/37/74/44/332377444.db2.gz MUHNJKSNOSOXDR-SREVYHEPSA-N 0 0 298.342 2.775 20 10 CFCDRN CN(C(=O)/C=C\c1cncc(O)c1)c1ccc2cc[nH]c2c1 ZINC000492015076 332379384 /nfs/dbraw/zinc/37/93/84/332379384.db2.gz CPBTVKBELKESLI-DJWKRKHSSA-N 0 0 293.326 2.945 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCCc2c(F)cccc21 ZINC000492049269 332380596 /nfs/dbraw/zinc/38/05/96/332380596.db2.gz OAITYAWVFYQTEZ-VOTSOKGWSA-N 0 0 283.306 2.608 20 10 CFCDRN CC1(C)CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 ZINC000492231790 332388362 /nfs/dbraw/zinc/38/83/62/332388362.db2.gz LZGFWXGDWISGIW-BQYQJAHWSA-N 0 0 295.342 2.694 20 10 CFCDRN Cc1c(/C=C\C(=O)N2C[C@@H](C)Oc3ccccc32)cnn1C ZINC000492284129 332390743 /nfs/dbraw/zinc/39/07/43/332390743.db2.gz SFWQSNRZIVWFOF-JLVNDZCYSA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCOc3cccc(F)c32)cn1 ZINC000492400598 332395661 /nfs/dbraw/zinc/39/56/61/332395661.db2.gz SCSPUBUNDYSHMF-BQYQJAHWSA-N 0 0 298.317 2.968 20 10 CFCDRN COc1cncc(/C=C\C(=O)N(C)c2ccccc2)c1 ZINC000492401838 332395867 /nfs/dbraw/zinc/39/58/67/332395867.db2.gz VMGMXAMTXNWHKM-HJWRWDBZSA-N 0 0 268.316 2.766 20 10 CFCDRN COc1cncc(/C=C\C(=O)N(C)c2ccccc2F)c1 ZINC000492518158 332401174 /nfs/dbraw/zinc/40/11/74/332401174.db2.gz GCYXLDOSIBFDFS-FPLPWBNLSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C/c2cncc(F)c2)ccn1 ZINC000492563203 332403133 /nfs/dbraw/zinc/40/31/33/332403133.db2.gz IQGDOOJXXMELSM-ONEGZZNKSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cnccc1C ZINC000492594251 332404844 /nfs/dbraw/zinc/40/48/44/332404844.db2.gz RWISKQFLUXFSTC-SNAWJCMRSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccnc1 ZINC000492720412 332410882 /nfs/dbraw/zinc/41/08/82/332410882.db2.gz ZOMDLINMLAZLEG-WAYWQWQTSA-N 0 0 259.334 2.523 20 10 CFCDRN CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccn(C)c2)C1 ZINC000492813073 332414431 /nfs/dbraw/zinc/41/44/31/332414431.db2.gz XOMKNPGUNDNATI-XITLMJRVSA-N 0 0 296.370 2.643 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCc2cc(F)ccc21 ZINC000492854165 332416140 /nfs/dbraw/zinc/41/61/40/332416140.db2.gz DFUQWNWXJXZLQM-RQOWECAXSA-N 0 0 274.320 2.885 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000492913627 332418396 /nfs/dbraw/zinc/41/83/96/332418396.db2.gz RAWXEZRBNGOCDC-SYTKJHMZSA-N 0 0 265.316 2.640 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2c1cccc2F ZINC000183774055 333122679 /nfs/dbraw/zinc/12/26/79/333122679.db2.gz WSHNJMKIKILICN-SNAWJCMRSA-N 0 0 286.281 2.962 20 10 CFCDRN CCC(C)(C)OC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000529642528 333503134 /nfs/dbraw/zinc/50/31/34/333503134.db2.gz VKOWVLLCHUYNRH-UHFFFAOYSA-N 0 0 293.363 2.510 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529652743 333504052 /nfs/dbraw/zinc/50/40/52/333504052.db2.gz OOQGWBKJCAFIHJ-YPMHNXCESA-N 0 0 255.745 2.703 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529652734 333504059 /nfs/dbraw/zinc/50/40/59/333504059.db2.gz OAJOKCPNFMNCPM-YPMHNXCESA-N 0 0 273.735 2.842 20 10 CFCDRN COc1ncccc1N(C)C(=O)/C=C/c1cnc(C)s1 ZINC000132845854 334007731 /nfs/dbraw/zinc/00/77/31/334007731.db2.gz UBHFIBXXPONVQA-VOTSOKGWSA-N 0 0 289.360 2.531 20 10 CFCDRN CC[C@@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000133778431 334055308 /nfs/dbraw/zinc/05/53/08/334055308.db2.gz WCUSUNZVBKYCEE-DYVFJYSZSA-N 0 0 288.391 2.914 20 10 CFCDRN CCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768472 519911735 /nfs/dbraw/zinc/91/17/35/519911735.db2.gz RGKZNZQSFAGBCP-UHFFFAOYSA-N 0 0 260.381 2.875 20 10 CFCDRN CCOCCOCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000191571268 519993598 /nfs/dbraw/zinc/99/35/98/519993598.db2.gz CDTLXTOWWIGRTR-UHFFFAOYSA-N 0 0 287.787 2.531 20 10 CFCDRN Cn1ncc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000289320132 518195643 /nfs/dbraw/zinc/19/56/43/518195643.db2.gz GBSBLERCCAUKCC-UHFFFAOYSA-N 0 0 268.411 2.861 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000045699069 518286720 /nfs/dbraw/zinc/28/67/20/518286720.db2.gz QREROGBBWHUGHO-SNVBAGLBSA-N 0 0 295.354 2.733 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000293369256 518286936 /nfs/dbraw/zinc/28/69/36/518286936.db2.gz JBHWCPOFBNGCJC-BDAKNGLRSA-N 0 0 251.301 2.574 20 10 CFCDRN C/C=C(\C=C\C(=O)NCc1cccc(OC)c1O)CC ZINC000155501157 518488258 /nfs/dbraw/zinc/48/82/58/518488258.db2.gz COOTVOTVHAGJQF-XBXLSIANSA-N 0 0 275.348 2.930 20 10 CFCDRN CC(C)(C)CCCS(=O)(=O)NCc1ccccc1O ZINC000290776932 518646007 /nfs/dbraw/zinc/64/60/07/518646007.db2.gz PCPUXSLYHZOGSD-UHFFFAOYSA-N 0 0 285.409 2.638 20 10 CFCDRN CC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000151866889 518742112 /nfs/dbraw/zinc/74/21/12/518742112.db2.gz MGXBWTTXMCGHNO-UHFFFAOYSA-N 0 0 273.380 2.661 20 10 CFCDRN CC(C)(C)c1ncc(NC(=O)Cc2ccc(N)cc2)cn1 ZINC000236648744 519114709 /nfs/dbraw/zinc/11/47/09/519114709.db2.gz DXGITDQUGMJUFA-UHFFFAOYSA-N 0 0 284.363 2.538 20 10 CFCDRN CC(=O)C(=O)CSc1nc2ccccc2n1C(F)F ZINC000289520677 519357096 /nfs/dbraw/zinc/35/70/96/519357096.db2.gz DEUQPDIKGLPXII-UHFFFAOYSA-N 0 0 284.287 2.682 20 10 CFCDRN CC(=O)C(=O)COc1c(Cl)c(Cl)ccc1C(C)=O ZINC000289759472 519357120 /nfs/dbraw/zinc/35/71/20/519357120.db2.gz VIOSAKAWNOTPFW-UHFFFAOYSA-N 0 0 289.114 2.733 20 10 CFCDRN CC(C)=CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000276707049 519409198 /nfs/dbraw/zinc/40/91/98/519409198.db2.gz QDMUJTYLOWLIAT-UHFFFAOYSA-N 0 0 275.396 2.908 20 10 CFCDRN CC(C)N(C)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364977232 519592145 /nfs/dbraw/zinc/59/21/45/519592145.db2.gz ZEQCESLRSAVESW-UHFFFAOYSA-N 0 0 287.407 2.912 20 10 CFCDRN CC(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768512 519597237 /nfs/dbraw/zinc/59/72/37/519597237.db2.gz GJAPHXBHHVUDMM-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cocn1 ZINC000264233718 519655413 /nfs/dbraw/zinc/65/54/13/519655413.db2.gz KFZYYGXIHVLILL-UHFFFAOYSA-N 0 0 287.363 2.791 20 10 CFCDRN CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCC1 ZINC000278524448 519842543 /nfs/dbraw/zinc/84/25/43/519842543.db2.gz SUDOKSGYHZVGBH-UHFFFAOYSA-N 0 0 294.351 2.979 20 10 CFCDRN CC(C)c1csc(CNC(=O)Cc2ccc(N)cc2)n1 ZINC000082699882 519853443 /nfs/dbraw/zinc/85/34/43/519853443.db2.gz ZSGULANOHFELDK-UHFFFAOYSA-N 0 0 289.404 2.708 20 10 CFCDRN CCCCOCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000265446481 520731292 /nfs/dbraw/zinc/73/12/92/520731292.db2.gz YFOVMTMAQGNQKQ-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN CCCCOCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172374942 520740455 /nfs/dbraw/zinc/74/04/55/520740455.db2.gz QCLIYIIWXRFBPA-UHFFFAOYSA-N 0 0 290.407 2.720 20 10 CFCDRN CCOc1cc(NCc2ccc3c(c2)CCCN3C)ncn1 ZINC000302240072 520760855 /nfs/dbraw/zinc/76/08/55/520760855.db2.gz BBYNERTWCXVZOC-UHFFFAOYSA-N 0 0 298.390 2.870 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccncn2)cc1 ZINC000194105784 520901050 /nfs/dbraw/zinc/90/10/50/520901050.db2.gz GZKGXZLDDYHAAL-UHFFFAOYSA-N 0 0 299.378 2.645 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(=O)[O-])cc1F ZINC000276953201 520905074 /nfs/dbraw/zinc/90/50/74/520905074.db2.gz FAQWCXGOWCHXID-UHFFFAOYSA-N 0 0 296.386 2.872 20 10 CFCDRN CCN(CC)c1ccc(CNCc2nccn2C)cc1 ZINC000071138890 520907696 /nfs/dbraw/zinc/90/76/96/520907696.db2.gz XHRFDGGUFZNARI-UHFFFAOYSA-N 0 0 272.396 2.556 20 10 CFCDRN CCCCSCCC(=O)NCc1ccc(O)c(O)c1 ZINC000159141887 520950633 /nfs/dbraw/zinc/95/06/33/520950633.db2.gz FNITXTIPHWDZIY-UHFFFAOYSA-N 0 0 283.393 2.637 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nnc(C)o2)cc1 ZINC000299414689 521029108 /nfs/dbraw/zinc/02/91/08/521029108.db2.gz QFMUAFBDFASVSV-UHFFFAOYSA-N 0 0 261.325 2.803 20 10 CFCDRN CCN(C[C@H](O)CC(F)(F)F)c1ccc(OC)cc1 ZINC000276215921 521262702 /nfs/dbraw/zinc/26/27/02/521262702.db2.gz LEMMEZRJNBFSOE-LLVKDONJSA-N 0 0 277.286 2.835 20 10 CFCDRN CCN(Cc1cc(C)ncn1)c1ccc(OC)c(OC)c1 ZINC000292533536 521290489 /nfs/dbraw/zinc/29/04/89/521290489.db2.gz PGROUDKPAGFOBI-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN CCC(C)(CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000116359440 521381315 /nfs/dbraw/zinc/38/13/15/521381315.db2.gz UUBVBGMFEYHLLW-UHFFFAOYSA-N 0 0 252.314 2.969 20 10 CFCDRN CCCc1occc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000282786736 521606732 /nfs/dbraw/zinc/60/67/32/521606732.db2.gz PSKLZQMVEDEHON-UHFFFAOYSA-N 0 0 289.331 2.616 20 10 CFCDRN CCCN(CC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180591436 521618557 /nfs/dbraw/zinc/61/85/57/521618557.db2.gz JDWODYYDIDNDCD-SOFGYWHQSA-N 0 0 275.348 2.760 20 10 CFCDRN CCOC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000292893482 521637383 /nfs/dbraw/zinc/63/73/83/521637383.db2.gz GBKMHRTYYPVTRB-UHFFFAOYSA-N 0 0 294.351 2.739 20 10 CFCDRN CCCn1nc(C)c(C(=O)NCc2ccccc2O)c1C ZINC000269162264 521666081 /nfs/dbraw/zinc/66/60/81/521666081.db2.gz VKHFTWQCFUTALN-UHFFFAOYSA-N 0 0 287.363 2.546 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCCCOC ZINC000170732426 521687652 /nfs/dbraw/zinc/68/76/52/521687652.db2.gz PGTXHVOGUARRNG-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN CCS[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000226382147 521726111 /nfs/dbraw/zinc/72/61/11/521726111.db2.gz CMTVHSABFNPFOO-ZIAGYGMSSA-N 0 0 278.421 2.602 20 10 CFCDRN CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285987978 521733087 /nfs/dbraw/zinc/73/30/87/521733087.db2.gz GVFZTFLPTIKRPS-ZDUSSCGKSA-N 0 0 296.386 2.734 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000278328286 521871662 /nfs/dbraw/zinc/87/16/62/521871662.db2.gz ZALAHAZIMPDSOT-GFCCVEGCSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278328268 521872327 /nfs/dbraw/zinc/87/23/27/521872327.db2.gz ZADDNRXZCGMIMG-UHFFFAOYSA-N 0 0 280.324 2.541 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000278614115 521874435 /nfs/dbraw/zinc/87/44/35/521874435.db2.gz FAZCJQPPZKPKEQ-UHFFFAOYSA-N 0 0 294.351 2.979 20 10 CFCDRN COc1c([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278314568 521875824 /nfs/dbraw/zinc/87/58/24/521875824.db2.gz XEWNXYYKNISYIV-PHIMTYICSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278492250 521878418 /nfs/dbraw/zinc/87/84/18/521878418.db2.gz LQGOOCABYGLGLX-SNVBAGLBSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1O ZINC000192102751 521886234 /nfs/dbraw/zinc/88/62/34/521886234.db2.gz HYFABRQRMKLLDE-ZDUSSCGKSA-N 0 0 279.380 2.944 20 10 CFCDRN COCC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000082367500 521919185 /nfs/dbraw/zinc/91/91/85/521919185.db2.gz QICCUTQQZZFSAZ-VIFPVBQESA-N 0 0 288.185 2.669 20 10 CFCDRN CC[C@@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000190476553 521935913 /nfs/dbraw/zinc/93/59/13/521935913.db2.gz CKVCQDIGTMRBAF-CQSZACIVSA-N 0 0 290.407 2.780 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2occc2C)c1 ZINC000293306491 522135213 /nfs/dbraw/zinc/13/52/13/522135213.db2.gz DWSTZAKCKZBGNJ-LLVKDONJSA-N 0 0 289.331 2.931 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000273372562 522135252 /nfs/dbraw/zinc/13/52/52/522135252.db2.gz GJKIZNAMHTZUGR-NXEZZACHSA-N 0 0 263.337 2.628 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OC[C@H]2CCCO2)cc1 ZINC000283499796 522168980 /nfs/dbraw/zinc/16/89/80/522168980.db2.gz JICGVKCZAWGGDF-OAHLLOKOSA-N 0 0 292.379 2.500 20 10 CFCDRN CN(C)c1ccc(CN(Cc2nccn2C)C2CC2)cc1 ZINC000263814690 522177081 /nfs/dbraw/zinc/17/70/81/522177081.db2.gz RSMYVNBJFOSXKS-UHFFFAOYSA-N 0 0 284.407 2.651 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000084854098 522213087 /nfs/dbraw/zinc/21/30/87/522213087.db2.gz GUVJTCUUOAMZBV-KRWDZBQOSA-N 0 0 298.386 2.538 20 10 CFCDRN CN(C)c1ccc(CNc2cccc(CO)c2)cc1F ZINC000276443062 522215082 /nfs/dbraw/zinc/21/50/82/522215082.db2.gz IXVFGTAVVUXVCC-UHFFFAOYSA-N 0 0 274.339 2.996 20 10 CFCDRN CCc1nnc(CN(c2ccc(OC)c(F)c2)C(C)C)[nH]1 ZINC000159105297 522294863 /nfs/dbraw/zinc/29/48/63/522294863.db2.gz HEVCERRQCKDZKN-UHFFFAOYSA-N 0 0 292.358 2.930 20 10 CFCDRN COc1cc(CCO)ccc1NCc1cccc(F)c1O ZINC000289913808 522339202 /nfs/dbraw/zinc/33/92/02/522339202.db2.gz YCHRIDJKDFXJCM-UHFFFAOYSA-N 0 0 291.322 2.687 20 10 CFCDRN CCc1nnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000273237073 522743407 /nfs/dbraw/zinc/74/34/07/522743407.db2.gz WWLNHQIRXNTAOW-VIFPVBQESA-N 0 0 263.366 2.657 20 10 CFCDRN CC[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(C)cc1O ZINC000280158773 522745115 /nfs/dbraw/zinc/74/51/15/522745115.db2.gz QOBVCJWNTDGOQZ-YPMHNXCESA-N 0 0 274.368 2.631 20 10 CFCDRN CN(C[C@@H](O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000121302370 523026807 /nfs/dbraw/zinc/02/68/07/523026807.db2.gz STFHUTQBKQUGDN-CQSZACIVSA-N 0 0 289.306 2.724 20 10 CFCDRN CCc1sc(C(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000159034092 523073393 /nfs/dbraw/zinc/07/33/93/523073393.db2.gz AYWKQRGSFFVMLT-UHFFFAOYSA-N 0 0 291.372 2.960 20 10 CFCDRN CC[C@@H](Sc1ncc(C(C)(C)C)s1)C(N)=O ZINC000164389264 523085734 /nfs/dbraw/zinc/08/57/34/523085734.db2.gz ZUTHNSDCVNLMSZ-SSDOTTSWSA-N 0 0 258.412 2.797 20 10 CFCDRN CON(Cc1ccc(N(C)C)cc1)CC1CCOCC1 ZINC000282346670 523297702 /nfs/dbraw/zinc/29/77/02/523297702.db2.gz AGTVRKTYUPXLSO-UHFFFAOYSA-N 0 0 278.396 2.543 20 10 CFCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272659708 523347689 /nfs/dbraw/zinc/34/76/89/523347689.db2.gz OJUNURMASMASNV-JPUNHXPESA-N 0 0 275.348 2.901 20 10 CFCDRN CN(Cc1ccccc1O)c1cc(NCC2CC2)ncn1 ZINC000276214360 523388479 /nfs/dbraw/zinc/38/84/79/523388479.db2.gz KICWPBNVFJDOCE-UHFFFAOYSA-N 0 0 284.363 2.641 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@H](C)[S@]1=O ZINC000289565043 523448017 /nfs/dbraw/zinc/44/80/17/523448017.db2.gz JEOSECFWKBMGMO-AGKSTNPPSA-N 0 0 295.448 2.740 20 10 CFCDRN CC[C@@H]1CO[C@H](C)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000048915888 523518425 /nfs/dbraw/zinc/51/84/25/523518425.db2.gz BIZSORJUNPTMOU-QMTHXVAHSA-N 0 0 295.354 2.733 20 10 CFCDRN CCn1ccnc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000294694742 523557383 /nfs/dbraw/zinc/55/73/83/523557383.db2.gz ALVQIBVIUMIFEV-LBPRGKRZSA-N 0 0 290.386 2.959 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000293188985 523574249 /nfs/dbraw/zinc/57/42/49/523574249.db2.gz BBJQRRJKSIHEQN-UKRRQHHQSA-N 0 0 277.364 2.556 20 10 CFCDRN CC[C@@](C)(CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224907587 523637746 /nfs/dbraw/zinc/63/77/46/523637746.db2.gz XMLSOVQEQRSOMJ-ZDUSSCGKSA-N 0 0 257.761 2.686 20 10 CFCDRN CCn1ncnc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000193388697 523749655 /nfs/dbraw/zinc/74/96/55/523749655.db2.gz LRGNKQIYCBJIOM-UHFFFAOYSA-N 0 0 280.759 2.596 20 10 CFCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc(F)c2[O-])C12CCC2 ZINC000368035012 523785703 /nfs/dbraw/zinc/78/57/03/523785703.db2.gz LGLFFVVVEJFCBL-WKPIXPDZSA-N 0 0 279.355 2.825 20 10 CFCDRN CN1CCCc2cc(CNCc3cscn3)ccc21 ZINC000058476975 523863138 /nfs/dbraw/zinc/86/31/38/523863138.db2.gz YVPLKZSLJKFLCF-UHFFFAOYSA-N 0 0 273.405 2.815 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000293188993 523961827 /nfs/dbraw/zinc/96/18/27/523961827.db2.gz BBJQRRJKSIHEQN-ZFWWWQNUSA-N 0 0 277.364 2.556 20 10 CFCDRN CN1CCc2cc(CNc3cccc(F)n3)ccc21 ZINC000159918136 523997376 /nfs/dbraw/zinc/99/73/76/523997376.db2.gz WMPRWAKXEMIBEZ-UHFFFAOYSA-N 0 0 257.312 2.825 20 10 CFCDRN CO[C@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000291110764 524027892 /nfs/dbraw/zinc/02/78/92/524027892.db2.gz FJTIBFQSMVLMAB-MEBBXXQBSA-N 0 0 294.351 2.766 20 10 CFCDRN COc1ccc(CN[C@@H](c2nncn2C)C(C)C)cc1C ZINC000285599243 524085151 /nfs/dbraw/zinc/08/51/51/524085151.db2.gz VCSJSKLZFMHYQU-OAHLLOKOSA-N 0 0 288.395 2.619 20 10 CFCDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccn1 ZINC000279081777 524104314 /nfs/dbraw/zinc/10/43/14/524104314.db2.gz BMODBPJYIHIDJB-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000073915849 524254324 /nfs/dbraw/zinc/25/43/24/524254324.db2.gz DTUMTKYLVFBYJR-LLVKDONJSA-N 0 0 279.359 2.586 20 10 CFCDRN COc1ccc(N(C)Cc2cccnc2)c(OC)c1 ZINC000132036744 524353082 /nfs/dbraw/zinc/35/30/82/524353082.db2.gz FFKZTFPTYVCOCM-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCC=CO2)cc1F ZINC000194602279 524353739 /nfs/dbraw/zinc/35/37/39/524353739.db2.gz TXRWLIWNARITQJ-LBPRGKRZSA-N 0 0 251.301 2.963 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)no2)cc1Cl ZINC000121875912 524354849 /nfs/dbraw/zinc/35/48/49/524354849.db2.gz BKXPZEROGXGFER-UHFFFAOYSA-N 0 0 267.716 2.676 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)C)C(C)C)cc1F ZINC000101567529 524358554 /nfs/dbraw/zinc/35/85/54/524358554.db2.gz VWNPBBBGZRUOHW-UHFFFAOYSA-N 0 0 282.359 2.574 20 10 CFCDRN COc1ccc(N(Cc2nnc(C)[nH]2)C(C)C)cc1F ZINC000293125928 524371058 /nfs/dbraw/zinc/37/10/58/524371058.db2.gz KVFCPTVTLVXKOU-UHFFFAOYSA-N 0 0 278.331 2.676 20 10 CFCDRN COc1ccc(N2CCC(Nc3nccc(C)n3)CC2)cc1 ZINC000301260039 524404029 /nfs/dbraw/zinc/40/40/29/524404029.db2.gz FSEOKLVZPJGJPO-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272360580 524414907 /nfs/dbraw/zinc/41/49/07/524414907.db2.gz BWOGAXFRJJVHPR-YKGZCXIISA-N 0 0 275.348 2.806 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCCC1 ZINC000274935446 524696866 /nfs/dbraw/zinc/69/68/66/524696866.db2.gz ONFLXHGKSWSQSO-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000183441754 524698280 /nfs/dbraw/zinc/69/82/80/524698280.db2.gz JLRKVDYQVXHRSF-JYOYUFGNSA-N 0 0 289.375 2.581 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc([N+](=O)[O-])s1 ZINC000192525724 524698942 /nfs/dbraw/zinc/69/89/42/524698942.db2.gz DDPAMSVYJPJDCN-SSDOTTSWSA-N 0 0 295.320 2.506 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC1(C)C ZINC000274927828 524700440 /nfs/dbraw/zinc/70/04/40/524700440.db2.gz MRPMLBLNQXQWHN-YPMHNXCESA-N 0 0 291.391 2.971 20 10 CFCDRN COc1ccccc1[C@@H](C)SCC(=O)C(C)=O ZINC000289692491 524728621 /nfs/dbraw/zinc/72/86/21/524728621.db2.gz QISYSZOZTIKBAX-SNVBAGLBSA-N 0 0 252.335 2.648 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc(C)s2)c1 ZINC000274247173 524766301 /nfs/dbraw/zinc/76/63/01/524766301.db2.gz RSLZCOVXKCKGTL-RKDXNWHRSA-N 0 0 293.392 2.973 20 10 CFCDRN C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(N(C)C)cc2)C1 ZINC000277881192 524877831 /nfs/dbraw/zinc/87/78/31/524877831.db2.gz PSOCDYLWZNZZMA-KBPBESRZSA-N 0 0 290.407 2.636 20 10 CFCDRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193162360 524943879 /nfs/dbraw/zinc/94/38/79/524943879.db2.gz MVRIXIFCHUFARA-SMDDNHRTSA-N 0 0 298.342 2.716 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000280603030 525003838 /nfs/dbraw/zinc/00/38/38/525003838.db2.gz OEEKQAUJONEOHK-YGRLFVJLSA-N 0 0 265.328 2.531 20 10 CFCDRN Cc1cc(O)c(CNc2cccnc2-n2cncn2)cc1C ZINC000161932600 525325381 /nfs/dbraw/zinc/32/53/81/525325381.db2.gz MOHGUEXZOAHPOA-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN Cc1ccc(O)c(CN2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000365668006 525339863 /nfs/dbraw/zinc/33/98/63/525339863.db2.gz WTUUHBDNKMKUIQ-UHFFFAOYSA-N 0 0 287.334 2.543 20 10 CFCDRN C[C@H]([NH2+]CCc1nccs1)c1ccc(F)cc1[O-] ZINC000063134000 525373130 /nfs/dbraw/zinc/37/31/30/525373130.db2.gz VXOOAVXGPWFWHA-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276925926 525423342 /nfs/dbraw/zinc/42/33/42/525423342.db2.gz NHYNQYFSFZTMAU-KGFZYKRKSA-N 0 0 299.239 2.634 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)CSC ZINC000275169887 525514030 /nfs/dbraw/zinc/51/40/30/525514030.db2.gz KXWRSWXJGDCMMH-ZDUSSCGKSA-N 0 0 281.421 2.562 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(C)cc2)cnn1C ZINC000162241081 525515492 /nfs/dbraw/zinc/51/54/92/525515492.db2.gz LLDYNIUAULNTOT-JXMROGBWSA-N 0 0 269.348 2.713 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976635 525554423 /nfs/dbraw/zinc/55/44/23/525554423.db2.gz VDSVLNBZPDUDFU-XXILOJSOSA-N 0 0 271.307 2.625 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361909 525629814 /nfs/dbraw/zinc/62/98/14/525629814.db2.gz AOPQCMBPLHFANL-SRVKXCTJSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976619 525634184 /nfs/dbraw/zinc/63/41/84/525634184.db2.gz VDSVLNBZPDUDFU-GGZOMVNGSA-N 0 0 271.307 2.625 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000277004678 525635752 /nfs/dbraw/zinc/63/57/52/525635752.db2.gz ZZPMHPJFSGNOSS-RKDXNWHRSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@](O)(COc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000281857159 525780267 /nfs/dbraw/zinc/78/02/67/525780267.db2.gz MQCBLYBZYDHQFA-CYBMUJFWSA-N 0 0 289.297 2.979 20 10 CFCDRN Cc1ccoc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000291549918 525802525 /nfs/dbraw/zinc/80/25/25/525802525.db2.gz AYKFXJNGDJRXHV-UHFFFAOYSA-N 0 0 287.363 2.653 20 10 CFCDRN C[C@@H](OCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000237423500 525913689 /nfs/dbraw/zinc/91/36/89/525913689.db2.gz WEIOZVUQRNNCLH-CQSZACIVSA-N 0 0 298.386 2.533 20 10 CFCDRN COc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289674948 525934594 /nfs/dbraw/zinc/93/45/94/525934594.db2.gz ZIIXFCJBZUDISP-AWEZNQCLSA-N 0 0 287.363 2.851 20 10 CFCDRN COc1cccc(CNC(=O)C(C)=C2CCCC2)c1O ZINC000155680241 525962915 /nfs/dbraw/zinc/96/29/15/525962915.db2.gz UHQWDPVHAAVKKN-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)c1O ZINC000133042463 525973957 /nfs/dbraw/zinc/97/39/57/525973957.db2.gz GOMSKTQDJLVHFT-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000276924160 525976319 /nfs/dbraw/zinc/97/63/19/525976319.db2.gz MZZASZKBFVCQAG-JOYOIKCWSA-N 0 0 297.301 2.956 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)C2)c1O ZINC000073744740 525989710 /nfs/dbraw/zinc/98/97/10/525989710.db2.gz WWNUMRMKPIKHIY-WCQYABFASA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@H](Sc1nccs1)C(=O)N1CCCCC1 ZINC000283784360 526007579 /nfs/dbraw/zinc/00/75/79/526007579.db2.gz DVAZBGVWSSJJFT-VIFPVBQESA-N 0 0 256.396 2.636 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)(F)F ZINC000292746926 526080414 /nfs/dbraw/zinc/08/04/14/526080414.db2.gz JYCDBLJHZXVHOM-SNVBAGLBSA-N 0 0 270.323 2.660 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccc(N)cc1 ZINC000195162426 526259598 /nfs/dbraw/zinc/25/95/98/526259598.db2.gz ZNUIMSRWRJAPKJ-BBRMVZONSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000037806814 526261069 /nfs/dbraw/zinc/26/10/69/526261069.db2.gz DKCNBNYHVUWVPI-SWLSCSKDSA-N 0 0 260.381 2.848 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCSCC1 ZINC000272859160 526327157 /nfs/dbraw/zinc/32/71/57/526327157.db2.gz UMFWGAYKUQFXNS-UHFFFAOYSA-N 0 0 257.786 2.985 20 10 CFCDRN Oc1c(Cl)cccc1CN1CCCc2n[nH]cc21 ZINC000280976502 526327428 /nfs/dbraw/zinc/32/74/28/526327428.db2.gz KXRUPOVNGOWFQE-UHFFFAOYSA-N 0 0 263.728 2.722 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]CC1(O)CCCCCC1 ZINC000158791436 526329279 /nfs/dbraw/zinc/32/92/79/526329279.db2.gz CWLCYJYQNVKCQJ-UHFFFAOYSA-N 0 0 267.344 2.706 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000160222402 526329830 /nfs/dbraw/zinc/32/98/30/526329830.db2.gz JTAKNAGFTQEZMZ-UONOGXRCSA-N 0 0 265.328 2.675 20 10 CFCDRN Oc1cc2c(cc1CNc1ccc3c(c1)CCO3)OCO2 ZINC000042880019 526336266 /nfs/dbraw/zinc/33/62/66/526336266.db2.gz YILKBDJJOMMWGO-UHFFFAOYSA-N 0 0 285.299 2.668 20 10 CFCDRN Oc1ccc(CCNc2nc3ccccc3o2)cc1O ZINC000301566862 526343874 /nfs/dbraw/zinc/34/38/74/526343874.db2.gz JWEGMJDEPZCEKM-UHFFFAOYSA-N 0 0 270.288 2.894 20 10 CFCDRN Oc1ccc2c(c1CNc1ncc(F)cn1)CCCC2 ZINC000269506929 526355199 /nfs/dbraw/zinc/35/51/99/526355199.db2.gz RMODQPPQAPHHDP-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)Nc1ccc(N)cc1 ZINC000269083697 526464321 /nfs/dbraw/zinc/46/43/21/526464321.db2.gz LQWNUZBGJUUHAX-UHFFFAOYSA-N 0 0 259.309 2.941 20 10 CFCDRN Cc1noc(C)c1CSCC(=O)Nc1ccc(N)cc1 ZINC000237650388 526526217 /nfs/dbraw/zinc/52/62/17/526526217.db2.gz BOKKDYIICZHYOW-UHFFFAOYSA-N 0 0 291.376 2.746 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cscn1 ZINC000075160134 526636480 /nfs/dbraw/zinc/63/64/80/526636480.db2.gz NXOPPIAYUJSUBK-UHFFFAOYSA-N 0 0 288.372 2.658 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)c[nH]1 ZINC000293809039 526636497 /nfs/dbraw/zinc/63/64/97/526636497.db2.gz VWSDVKUYJPOXDS-UHFFFAOYSA-N 0 0 288.322 2.668 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1CC12CCCCC2 ZINC000271597416 526754411 /nfs/dbraw/zinc/75/44/11/526754411.db2.gz KSFOZNQUUVMPJR-AWEZNQCLSA-N 0 0 274.364 2.914 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCc2cccnc21 ZINC000277534692 526755353 /nfs/dbraw/zinc/75/53/53/526755353.db2.gz AGCHTOBNYDTYBN-CQSZACIVSA-N 0 0 282.343 2.524 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H](CC(F)(F)F)C1 ZINC000277610622 526770912 /nfs/dbraw/zinc/77/09/12/526770912.db2.gz PVXTVCXFFPVFOE-MRVPVSSYSA-N 0 0 289.253 2.512 20 10 CFCDRN Cc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000299364083 527223058 /nfs/dbraw/zinc/22/30/58/527223058.db2.gz QSSBAOHRLIGMIC-UHFFFAOYSA-N 0 0 289.404 2.790 20 10 CFCDRN Cc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000299484535 527237280 /nfs/dbraw/zinc/23/72/80/527237280.db2.gz GWCOBGXIMXHNMK-UHFFFAOYSA-N 0 0 293.367 2.587 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000036799061 527475335 /nfs/dbraw/zinc/47/53/35/527475335.db2.gz VXDBFZSSLJWXGE-INIZCTEOSA-N 0 0 281.359 2.570 20 10 CFCDRN Nc1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000296878782 527482208 /nfs/dbraw/zinc/48/22/08/527482208.db2.gz FJNVWRAUXXGKOS-QGZVFWFLSA-N 0 0 296.370 2.589 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCCO ZINC000192903413 527536057 /nfs/dbraw/zinc/53/60/57/527536057.db2.gz WEXXUFGFPKZHLO-UHFFFAOYSA-N 0 0 278.179 2.951 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C2CC2)C1 ZINC000292089877 527612692 /nfs/dbraw/zinc/61/26/92/527612692.db2.gz NBWMCQZFPRQYIS-PXYYCUNGSA-N 0 0 287.359 2.760 20 10 CFCDRN Cc1ncc(-c2ccn(Cc3ccccn3)c(=O)c2)s1 ZINC001243380756 782172459 /nfs/dbraw/zinc/17/24/59/782172459.db2.gz FLMKHOUFMGJPCD-UHFFFAOYSA-N 0 0 283.356 2.724 20 10 CFCDRN Cc1cc(-c2ccn(Cc3cccnc3)c(=O)c2)cnc1F ZINC001243401430 782184616 /nfs/dbraw/zinc/18/46/16/782184616.db2.gz VTUUCNDOMOQQPQ-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN Cc1cc(-c2ccn(Cc3ccccn3)c(=O)c2)cnc1F ZINC001243399896 782183504 /nfs/dbraw/zinc/18/35/04/782183504.db2.gz AIBGVLQZWUZQQN-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN COc1cccc(O)c1CNCc1cn2cccc(C)c2n1 ZINC000736642389 574063901 /nfs/dbraw/zinc/06/39/01/574063901.db2.gz WTBKFWPHJGAIEF-UHFFFAOYSA-N 0 0 297.358 2.647 20 10 CFCDRN COc1ccc(C(=O)NCc2ccccc2O)c(Cl)c1 ZINC000731051949 574108526 /nfs/dbraw/zinc/10/85/26/574108526.db2.gz VBONXXZHONHHRR-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN O=C1/C(=C\c2cn[nH]c2)SC(=S)N1c1ccccc1 ZINC000751527634 574112474 /nfs/dbraw/zinc/11/24/74/574112474.db2.gz XEZQHIXOCCNLNV-IZZDOVSWSA-N 0 0 287.369 2.816 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756733421 574128880 /nfs/dbraw/zinc/12/88/80/574128880.db2.gz QZLRGSMJIOKYSK-VXNVDRBHSA-N 0 0 259.321 2.827 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccccc2C1 ZINC000731861788 574130823 /nfs/dbraw/zinc/13/08/23/574130823.db2.gz NZPUQVQRAREUDL-UHFFFAOYSA-N 0 0 259.330 2.652 20 10 CFCDRN CC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731861484 574130902 /nfs/dbraw/zinc/13/09/02/574130902.db2.gz CQAKEFNSCINLMH-UHFFFAOYSA-N 0 0 276.317 2.664 20 10 CFCDRN CC(=O)N(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731871403 574131485 /nfs/dbraw/zinc/13/14/85/574131485.db2.gz JSNZOYIGULLTAM-UHFFFAOYSA-N 0 0 290.344 2.689 20 10 CFCDRN CC(C)Oc1ncccc1CNC(=O)C1=CC(=O)CS1 ZINC000731872262 574131852 /nfs/dbraw/zinc/13/18/52/574131852.db2.gz ZMARIYVMILZVER-UHFFFAOYSA-N 0 0 292.360 2.566 20 10 CFCDRN Cc1ccc(NC(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000731909598 574133329 /nfs/dbraw/zinc/13/33/29/574133329.db2.gz FJEGKISOOOABAL-UHFFFAOYSA-N 0 0 291.328 2.558 20 10 CFCDRN CCN(CC(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000728916521 574137436 /nfs/dbraw/zinc/13/74/36/574137436.db2.gz KNLHAOOHWGANTG-UHFFFAOYSA-N 0 0 295.379 2.872 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)nc2)c1 ZINC000728979037 574143112 /nfs/dbraw/zinc/14/31/12/574143112.db2.gz BSXPVBUYMTWIIB-LLVKDONJSA-N 0 0 286.331 2.595 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OCC(C)C)c1 ZINC000728982368 574143510 /nfs/dbraw/zinc/14/35/10/574143510.db2.gz LTDILXJYTGECIJ-VXGBXAGGSA-N 0 0 295.379 2.639 20 10 CFCDRN COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000732196846 574147114 /nfs/dbraw/zinc/14/71/14/574147114.db2.gz QTHLBFNNYRVURQ-UHFFFAOYSA-N 0 0 297.354 2.698 20 10 CFCDRN O=C(NCc1ccc(F)cc1F)C1=CC(=O)CS1 ZINC000732268300 574148172 /nfs/dbraw/zinc/14/81/72/574148172.db2.gz GWWGMKSTKWWSFG-UHFFFAOYSA-N 0 0 269.272 2.662 20 10 CFCDRN CC(=O)Nc1ccc(NC(=O)C2=CC(=O)CS2)cc1C ZINC000732267949 574148219 /nfs/dbraw/zinc/14/82/19/574148219.db2.gz CUDQHQIKNQYCJF-UHFFFAOYSA-N 0 0 290.344 2.973 20 10 CFCDRN O=C(Nc1nccn1Cc1ccccc1)C1=CC(=O)CS1 ZINC000732273964 574148730 /nfs/dbraw/zinc/14/87/30/574148730.db2.gz MHTLSTGNKVCGMN-UHFFFAOYSA-N 0 0 299.355 2.951 20 10 CFCDRN O=C(Nc1ccccc1-n1ccnc1)C1=CC(=O)CS1 ZINC000732270411 574148856 /nfs/dbraw/zinc/14/88/56/574148856.db2.gz BHVOIRBARDMEHC-UHFFFAOYSA-N 0 0 285.328 2.892 20 10 CFCDRN Cc1cc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)no1 ZINC000732268949 574148891 /nfs/dbraw/zinc/14/88/91/574148891.db2.gz UHGAIZMPYLTLRH-LLVKDONJSA-N 0 0 278.333 2.727 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2ccco2)C1 ZINC000732291684 574150643 /nfs/dbraw/zinc/15/06/43/574150643.db2.gz KVEVPCSCAZIDAG-SECBINFHSA-N 0 0 263.318 2.676 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)c1cccc(F)c1 ZINC000732352673 574152559 /nfs/dbraw/zinc/15/25/59/574152559.db2.gz BFKSBMFKWUQUJM-UHFFFAOYSA-N 0 0 280.276 2.633 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732352793 574152725 /nfs/dbraw/zinc/15/27/25/574152725.db2.gz HCRPFUQAHTUKPV-UHFFFAOYSA-N 0 0 268.334 2.760 20 10 CFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1COc2ccccc21 ZINC000755308399 574153580 /nfs/dbraw/zinc/15/35/80/574153580.db2.gz YRCJFNJKQXSPJU-JOYOIKCWSA-N 0 0 289.356 2.748 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccc(O)c(F)c2)SC1=S ZINC000755402248 574160113 /nfs/dbraw/zinc/16/01/13/574160113.db2.gz JEBXTHLTBMHPFB-POHAHGRESA-N 0 0 283.349 2.752 20 10 CFCDRN CC(C)CNC(=S)NCc1ccc2c(c1)CCCN2C ZINC000746688859 574163495 /nfs/dbraw/zinc/16/34/95/574163495.db2.gz IKABCVCJQIHRDB-UHFFFAOYSA-N 0 0 291.464 2.689 20 10 CFCDRN CCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746718568 574164059 /nfs/dbraw/zinc/16/40/59/574164059.db2.gz JGIMEIMVTKXBGW-LLVKDONJSA-N 0 0 281.375 2.880 20 10 CFCDRN CC/C=C(/C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746798450 574166158 /nfs/dbraw/zinc/16/61/58/574166158.db2.gz HDGFTFSVHQHULI-WDZFZDKYSA-N 0 0 264.344 2.864 20 10 CFCDRN O=C(NCCc1cc(F)ccc1F)C1=CC(=O)CS1 ZINC000746893171 574170327 /nfs/dbraw/zinc/17/03/27/574170327.db2.gz AOISRECVMDUUNP-UHFFFAOYSA-N 0 0 283.299 2.704 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CC2(C)C)cc1F ZINC000732825968 574174136 /nfs/dbraw/zinc/17/41/36/574174136.db2.gz DMAIQQKQEOPEJP-GFCCVEGCSA-N 0 0 293.386 2.737 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC23CCCC3)cc1 ZINC000747299185 574190530 /nfs/dbraw/zinc/19/05/30/574190530.db2.gz VQVBDHFFXXUAQG-OAHLLOKOSA-N 0 0 272.392 2.949 20 10 CFCDRN COc1cccc(CNC(=O)C2=C(C)CCC2)c1O ZINC000747420614 574195110 /nfs/dbraw/zinc/19/51/10/574195110.db2.gz XADQYQBPEREWHH-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CC23CCCC3)c1O ZINC000747517466 574199567 /nfs/dbraw/zinc/19/95/67/574199567.db2.gz CKKZXLXJXCCEDL-LBPRGKRZSA-N 0 0 275.348 2.597 20 10 CFCDRN CC1(C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000747578393 574201835 /nfs/dbraw/zinc/20/18/35/574201835.db2.gz DKIGUGIIOKXGKI-UHFFFAOYSA-N 0 0 287.407 2.981 20 10 CFCDRN CCN(CC(=O)N1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000747682103 574206639 /nfs/dbraw/zinc/20/66/39/574206639.db2.gz IRLVWGVTXDICRA-CQSZACIVSA-N 0 0 290.407 2.780 20 10 CFCDRN Fc1cccc(CNC(=S)Nc2ccccc2F)n1 ZINC000747719976 574208228 /nfs/dbraw/zinc/20/82/28/574208228.db2.gz CQFPLWCSLRYISX-UHFFFAOYSA-N 0 0 279.315 2.846 20 10 CFCDRN C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729508280 574220966 /nfs/dbraw/zinc/22/09/66/574220966.db2.gz UZDYZFGOVAMRDG-SMDDNHRTSA-N 0 0 293.386 2.880 20 10 CFCDRN C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729508277 574220988 /nfs/dbraw/zinc/22/09/88/574220988.db2.gz UZDYZFGOVAMRDG-BXUZGUMPSA-N 0 0 293.386 2.880 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccccc1O ZINC000733360292 574224547 /nfs/dbraw/zinc/22/45/47/574224547.db2.gz GYZLPSIMDJSXST-WFASDCNBSA-N 0 0 277.364 2.604 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccccc1O ZINC000733360289 574224620 /nfs/dbraw/zinc/22/46/20/574224620.db2.gz GYZLPSIMDJSXST-DOMZBBRYSA-N 0 0 277.364 2.604 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccco1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343428 574227314 /nfs/dbraw/zinc/22/73/14/574227314.db2.gz NTMWIFBVGDEOFC-SECBINFHSA-N 0 0 262.265 2.744 20 10 CFCDRN C[C@H]([NH2+]CCc1ccco1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756373049 574230659 /nfs/dbraw/zinc/23/06/59/574230659.db2.gz RSJBMSQNCDTMQX-JTQLQIEISA-N 0 0 276.292 2.787 20 10 CFCDRN Cc1csc(COC(=O)c2ccc(C)c(O)c2O)n1 ZINC000756394106 574233067 /nfs/dbraw/zinc/23/30/67/574233067.db2.gz AVCTXKOBBWTEHL-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN Oc1ccccc1CNC(=S)NCc1cccs1 ZINC000748159894 574233378 /nfs/dbraw/zinc/23/33/78/574233378.db2.gz WWSGPUXENLDCDW-UHFFFAOYSA-N 0 0 278.402 2.618 20 10 CFCDRN COc1cccc(NC(=S)NCc2ccccc2O)c1 ZINC000748157837 574233387 /nfs/dbraw/zinc/23/33/87/574233387.db2.gz NNBYZLFWYUHEKW-UHFFFAOYSA-N 0 0 288.372 2.887 20 10 CFCDRN Oc1ccccc1CNC(=S)Nc1ccccc1 ZINC000748157171 574233413 /nfs/dbraw/zinc/23/34/13/574233413.db2.gz JQTZVPPKNUNQOW-UHFFFAOYSA-N 0 0 258.346 2.879 20 10 CFCDRN Oc1ccccc1CNC(=S)NC1CCCCC1 ZINC000748159912 574233445 /nfs/dbraw/zinc/23/34/45/574233445.db2.gz XFPINNCRFAXUFL-UHFFFAOYSA-N 0 0 264.394 2.689 20 10 CFCDRN CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756433088 574236604 /nfs/dbraw/zinc/23/66/04/574236604.db2.gz UZYNERARLFOJHS-QWRGUYRKSA-N 0 0 284.350 2.663 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccoc2C)c1 ZINC000756483397 574240644 /nfs/dbraw/zinc/24/06/44/574240644.db2.gz QCUDZXGPPHECPD-SNVBAGLBSA-N 0 0 289.331 2.931 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756492783 574241073 /nfs/dbraw/zinc/24/10/73/574241073.db2.gz AKIKDVUGQPJXMC-MNOVXSKESA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@H]([NH2+]Cc1cscn1)c1cc(F)cc(F)c1[O-] ZINC000756507816 574242189 /nfs/dbraw/zinc/24/21/89/574242189.db2.gz FWOOWACNLCEOMO-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@@H]([NH2+]CC1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756511210 574242693 /nfs/dbraw/zinc/24/26/93/574242693.db2.gz MICOGJZAWLWRSF-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756516086 574243355 /nfs/dbraw/zinc/24/33/55/574243355.db2.gz PDGUEZGMTMXCSX-JTQLQIEISA-N 0 0 288.303 2.857 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756550624 574246117 /nfs/dbraw/zinc/24/61/17/574246117.db2.gz JHAGYHHYEIMNJA-MFKMUULPSA-N 0 0 296.361 2.805 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])N(C)C1CC1 ZINC000756551783 574246343 /nfs/dbraw/zinc/24/63/43/574246343.db2.gz XWSWLIQGFUKGLM-ZJUUUORDSA-N 0 0 284.350 2.804 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1nc2c(s1)CCC2 ZINC000748324946 574247241 /nfs/dbraw/zinc/24/72/41/574247241.db2.gz KHKXVDKNPHAKAX-UHFFFAOYSA-N 0 0 289.360 2.659 20 10 CFCDRN CN(C)c1ccc(C(=O)NCc2ccccc2O)cc1F ZINC000748347260 574247786 /nfs/dbraw/zinc/24/77/86/574247786.db2.gz XPPZSEVENKNJCH-UHFFFAOYSA-N 0 0 288.322 2.527 20 10 CFCDRN O=C(NCc1ccccc1O)c1cncc2ccccc21 ZINC000748345595 574247888 /nfs/dbraw/zinc/24/78/88/574247888.db2.gz OFHNLOPUUOOGIN-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN C[C@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1[O-] ZINC000756571613 574248898 /nfs/dbraw/zinc/24/88/98/574248898.db2.gz HKGURCFLYFYSGR-NSHDSACASA-N 0 0 276.311 2.656 20 10 CFCDRN CCc1ccccc1OCC(=O)NCc1ccccc1O ZINC000748354010 574248943 /nfs/dbraw/zinc/24/89/43/574248943.db2.gz VBKQCUYHIKDZEB-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756577922 574249917 /nfs/dbraw/zinc/24/99/17/574249917.db2.gz SQKOOKWNWIHNNC-LKFCYVNXSA-N 0 0 273.323 2.728 20 10 CFCDRN CCc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756607991 574251891 /nfs/dbraw/zinc/25/18/91/574251891.db2.gz OMSPEWCPLNZUHQ-VIFPVBQESA-N 0 0 291.307 2.702 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756619028 574252553 /nfs/dbraw/zinc/25/25/53/574252553.db2.gz VURVKXIVJDEQGP-WDEREUQCSA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756619094 574252603 /nfs/dbraw/zinc/25/26/03/574252603.db2.gz WGQQTMRQESYBMA-NEPJUHHUSA-N 0 0 266.360 2.666 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756628102 574253274 /nfs/dbraw/zinc/25/32/74/574253274.db2.gz VSNHPBMHCJYQCZ-ZANVPECISA-N 0 0 273.323 2.992 20 10 CFCDRN C[C@H](NCc1ccon1)c1cc(Br)ccc1O ZINC000756636534 574253950 /nfs/dbraw/zinc/25/39/50/574253950.db2.gz KETOGVFHLOKCEJ-QMMMGPOBSA-N 0 0 297.152 2.994 20 10 CFCDRN O=C([O-])NC1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000740560104 574255633 /nfs/dbraw/zinc/25/56/33/574255633.db2.gz UPUMTKBMPCDGEC-UHFFFAOYSA-N 0 0 298.770 2.714 20 10 CFCDRN C[C@@H]([NH2+]CCc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756661693 574256155 /nfs/dbraw/zinc/25/61/55/574256155.db2.gz TVIXNEMPLSJVCH-SECBINFHSA-N 0 0 293.348 2.650 20 10 CFCDRN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756660642 574256285 /nfs/dbraw/zinc/25/62/85/574256285.db2.gz OCIQNOGZSRMEQA-BQBZGAKWSA-N 0 0 291.178 2.614 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000756712374 574258326 /nfs/dbraw/zinc/25/83/26/574258326.db2.gz OTSCAUOGXCOWMD-PWSUYJOCSA-N 0 0 277.364 2.876 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C/c1cnccn1 ZINC000748578337 574258665 /nfs/dbraw/zinc/25/86/65/574258665.db2.gz PJWIIAGEKGELRE-BPJJOFIESA-N 0 0 295.342 2.612 20 10 CFCDRN C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(F)cc1[O-] ZINC000756765896 574261163 /nfs/dbraw/zinc/26/11/63/574261163.db2.gz SIZSHUSIWRCPHA-LLVKDONJSA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@H]([NH2+]CC1(CCO)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756764313 574261220 /nfs/dbraw/zinc/26/12/20/574261220.db2.gz DZKQXXJHZOMZCP-NSHDSACASA-N 0 0 294.351 2.504 20 10 CFCDRN C[C@H]([NH2+]Cc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769428 574261373 /nfs/dbraw/zinc/26/13/73/574261373.db2.gz QPFWUVLPBDICDK-VIFPVBQESA-N 0 0 291.282 2.685 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756769830 574261865 /nfs/dbraw/zinc/26/18/65/574261865.db2.gz QYIGRVWMXMBECZ-OQPBUACISA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000740680164 574261963 /nfs/dbraw/zinc/26/19/63/574261963.db2.gz MDZMPZUWHWMGOB-QWHCGFSZSA-N 0 0 275.396 2.693 20 10 CFCDRN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756782475 574262369 /nfs/dbraw/zinc/26/23/69/574262369.db2.gz BMYGWGTZUJBANC-UPONEAKYSA-N 0 0 299.239 2.634 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756783359 574262881 /nfs/dbraw/zinc/26/28/81/574262881.db2.gz YMEQPVCNSXFUNR-KKZNHRDASA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756783362 574263002 /nfs/dbraw/zinc/26/30/02/574263002.db2.gz YMEQPVCNSXFUNR-YWVKMMECSA-N 0 0 271.307 2.889 20 10 CFCDRN CC(C)CSCCNC(=O)C1=CC(=O)CS1 ZINC000756810830 574264711 /nfs/dbraw/zinc/26/47/11/574264711.db2.gz QJFKBYMICQWXIA-UHFFFAOYSA-N 0 0 259.396 2.573 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000740750185 574265591 /nfs/dbraw/zinc/26/55/91/574265591.db2.gz AHJAAQZLPZEMQV-BDJLRTHQSA-N 0 0 297.354 2.918 20 10 CFCDRN CCOC(=O)/C(=C\c1ccc(Cl)nc1)c1nccn1C ZINC000748997904 574275989 /nfs/dbraw/zinc/27/59/89/574275989.db2.gz LEXIPYNXZQWCNJ-FLIBITNWSA-N 0 0 291.738 2.572 20 10 CFCDRN Cc1c[nH]cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734468459 574289204 /nfs/dbraw/zinc/28/92/04/574289204.db2.gz VZOQEDDVCJBFHK-UHFFFAOYSA-N 0 0 271.364 2.628 20 10 CFCDRN O=C(NCCCSc1nccs1)NCc1ccco1 ZINC000734513192 574291025 /nfs/dbraw/zinc/29/10/25/574291025.db2.gz UUPARTAIIDQQIX-UHFFFAOYSA-N 0 0 297.405 2.718 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734653069 574297022 /nfs/dbraw/zinc/29/70/22/574297022.db2.gz YDRAKFHVQKJSCE-LBPRGKRZSA-N 0 0 263.385 2.659 20 10 CFCDRN CCN(C)c1ccc(CN2CCCC[C@@H]2C(=O)OC)cc1 ZINC000741752661 574300999 /nfs/dbraw/zinc/30/09/99/574300999.db2.gz DMFFLVIIGKTRLR-MRXNPFEDSA-N 0 0 290.407 2.670 20 10 CFCDRN CCCOC(=O)[C@H](C)N(CC)c1ccc(OC)c(OC)c1 ZINC000741785299 574303035 /nfs/dbraw/zinc/30/30/35/574303035.db2.gz ZQXRPXUOEITXSL-LBPRGKRZSA-N 0 0 295.379 2.872 20 10 CFCDRN CC[C@@H](C)NC(=S)N(C)Cc1ccc(N(C)C)cc1 ZINC000749762446 574307649 /nfs/dbraw/zinc/30/76/49/574307649.db2.gz KUXXAUMWFCVNCP-GFCCVEGCSA-N 0 0 279.453 2.857 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc(-n2cccn2)c1 ZINC000735115924 574313549 /nfs/dbraw/zinc/31/35/49/574313549.db2.gz UIAOBUBFLVZTJU-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2C)cc1OC ZINC000749905887 574315261 /nfs/dbraw/zinc/31/52/61/574315261.db2.gz XYIUKXWVGUGAJB-UHFFFAOYSA-N 0 0 289.379 2.691 20 10 CFCDRN COc1ccc(N2CCC(Nc3ccc(C)nn3)CC2)cc1 ZINC000735917027 574343117 /nfs/dbraw/zinc/34/31/17/574343117.db2.gz BDYJMBURJBJEMF-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C=C1CCCC1 ZINC000742952250 574348302 /nfs/dbraw/zinc/34/83/02/574348302.db2.gz IFBXEJJUTYBSRQ-UHFFFAOYSA-N 0 0 286.375 2.978 20 10 CFCDRN O=[N+]([O-])c1cnccc1NCc1ccc(N2CCCC2)cc1 ZINC000750604785 574348965 /nfs/dbraw/zinc/34/89/65/574348965.db2.gz GFAMTEHKOCIYHH-UHFFFAOYSA-N 0 0 298.346 2.624 20 10 CFCDRN O=C(Cc1c[nH]c2cc(F)ccc12)NCc1ccccc1O ZINC000725895683 574356261 /nfs/dbraw/zinc/35/62/61/574356261.db2.gz MKYFNPMIJISJRV-UHFFFAOYSA-N 0 0 298.317 2.872 20 10 CFCDRN O=C(Cc1cc(F)ccc1F)NCc1ccccc1O ZINC000743328271 574358228 /nfs/dbraw/zinc/35/82/28/574358228.db2.gz RFFQMHGHGVISCP-UHFFFAOYSA-N 0 0 277.270 2.529 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2ccc(C)o2)c1 ZINC000743409948 574363182 /nfs/dbraw/zinc/36/31/82/574363182.db2.gz FOVZHOUIVKNMOH-NSHDSACASA-N 0 0 289.331 2.722 20 10 CFCDRN CCc1ccc([C@H](COC)NC(=O)C2=CC(=O)CS2)o1 ZINC000743597412 574369170 /nfs/dbraw/zinc/36/91/70/574369170.db2.gz CRWBCSDLGWRDFL-NSHDSACASA-N 0 0 295.360 2.727 20 10 CFCDRN CC(C)=C(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000751120979 574369665 /nfs/dbraw/zinc/36/96/65/574369665.db2.gz XEFLLXGEIANQMY-UHFFFAOYSA-N 0 0 264.344 2.864 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000751277627 574373144 /nfs/dbraw/zinc/37/31/44/574373144.db2.gz HSTCDYMBWASHCY-HOTGVXAUSA-N 0 0 272.392 2.723 20 10 CFCDRN C/C=C(\C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000751366206 574375720 /nfs/dbraw/zinc/37/57/20/574375720.db2.gz UEBSGCIFNUHHFO-UUILKARUSA-N 0 0 258.365 2.651 20 10 CFCDRN CS/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000751459549 574377257 /nfs/dbraw/zinc/37/72/57/574377257.db2.gz IUYUDCCFXYBIPC-KTKRTIGZSA-N 0 0 264.394 2.588 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C)CC1 ZINC000752018987 574386793 /nfs/dbraw/zinc/38/67/93/574386793.db2.gz FDGZWHBICZLYOL-UHFFFAOYSA-N 0 0 275.396 2.660 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)Cc1ccccc1O ZINC000752559433 574392719 /nfs/dbraw/zinc/39/27/19/574392719.db2.gz HSFIKECIAZNQJF-BQYQJAHWSA-N 0 0 282.343 2.767 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC12CCC(CC1)C2 ZINC000753131976 574399154 /nfs/dbraw/zinc/39/91/54/574399154.db2.gz GCMRIRBCRXATEN-RQOWECAXSA-N 0 0 273.332 2.560 20 10 CFCDRN O=C(Nc1ncn(C2CCCCC2)n1)C1=CC(=O)CS1 ZINC000753503293 574403370 /nfs/dbraw/zinc/40/33/70/574403370.db2.gz NCGAUGCSUQKIOA-UHFFFAOYSA-N 0 0 292.364 2.803 20 10 CFCDRN C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)c1nccs1 ZINC000753521843 574403863 /nfs/dbraw/zinc/40/38/63/574403863.db2.gz AYKDEJNLEPGJSU-QMMMGPOBSA-N 0 0 282.390 2.786 20 10 CFCDRN CC(C)C1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000753594978 574405808 /nfs/dbraw/zinc/40/58/08/574405808.db2.gz AAWLJJZQCGTKNM-UHFFFAOYSA-N 0 0 293.386 2.689 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1 ZINC000084854058 597136645 /nfs/dbraw/zinc/13/66/45/597136645.db2.gz QJZCXAWQRRAPQO-UHFFFAOYSA-N 0 0 271.316 2.689 20 10 CFCDRN C[C@@H](NC(=O)c1coc(C=O)c1)c1ccc(N(C)C)cc1 ZINC000935466510 649910465 /nfs/dbraw/zinc/91/04/65/649910465.db2.gz ZDODHZITVPXKFK-LLVKDONJSA-N 0 0 286.331 2.649 20 10 CFCDRN CC(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000086777721 600142390 /nfs/dbraw/zinc/14/23/90/600142390.db2.gz JZMHQMMINNEHGL-UHFFFAOYSA-N 0 0 271.744 2.588 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000737069324 600943721 /nfs/dbraw/zinc/94/37/21/600943721.db2.gz RNKNZLNAZUBNQR-OAHLLOKOSA-N 0 0 276.380 2.582 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)[O-])cc1C ZINC000829389935 603169535 /nfs/dbraw/zinc/16/95/35/603169535.db2.gz QIVIYTOMOYOOHX-UONOGXRCSA-N 0 0 292.379 2.530 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc(OC)c(C)c1)NC(=O)[O-] ZINC000826561029 603602894 /nfs/dbraw/zinc/60/28/94/603602894.db2.gz HGYZNOLDTBIQIZ-UHFFFAOYSA-N 0 0 294.395 2.920 20 10 CFCDRN O=C(CCF)NCc1ccc(N2CCCCC2)cc1 ZINC000900404705 620671161 /nfs/dbraw/zinc/67/11/61/620671161.db2.gz MRIUOVPVRMKFMO-UHFFFAOYSA-N 0 0 264.344 2.653 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000825480392 604327239 /nfs/dbraw/zinc/32/72/39/604327239.db2.gz 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RSTATKLXPLDHSH-NSHDSACASA-N 0 0 258.369 2.968 20 10 CFCDRN COCC1(c2noc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000312926670 618967311 /nfs/dbraw/zinc/96/73/11/618967311.db2.gz RGGSHELDGMNAQE-UHFFFAOYSA-N 0 0 287.363 2.701 20 10 CFCDRN COc1cccc(CNc2cccc(CCO)c2)c1O ZINC000313161734 618976517 /nfs/dbraw/zinc/97/65/17/618976517.db2.gz MKZXZDKNVFDSNT-UHFFFAOYSA-N 0 0 273.332 2.548 20 10 CFCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1F ZINC000313220409 618977454 /nfs/dbraw/zinc/97/74/54/618977454.db2.gz LUYQLCNDLFPWPL-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2cc[nH]c21 ZINC000182516844 625322387 /nfs/dbraw/zinc/32/23/87/625322387.db2.gz VOQIJDJDQSNVEG-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1C1CCCC1 ZINC000889405186 619178965 /nfs/dbraw/zinc/17/89/65/619178965.db2.gz KVCNLTPLVOTQPG-IQCBXXCUSA-N 0 0 287.359 2.902 20 10 CFCDRN CC(=O)Nc1cccc(NC(=O)Cc2ccc(N)cc2)c1C ZINC000236578626 619197774 /nfs/dbraw/zinc/19/77/74/619197774.db2.gz CWESSGLKDJHOSY-UHFFFAOYSA-N 0 0 297.358 2.717 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H]1C1CCCC1 ZINC000889409015 619198032 /nfs/dbraw/zinc/19/80/32/619198032.db2.gz FDJIRZQTEYMUMT-LLVKDONJSA-N 0 0 251.351 2.858 20 10 CFCDRN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978050 619207226 /nfs/dbraw/zinc/20/72/26/619207226.db2.gz KZMURXFESCAXBV-NXEZZACHSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980302 619209729 /nfs/dbraw/zinc/20/97/29/619209729.db2.gz WVYKLYBWOXOCCT-PWSUYJOCSA-N 0 0 269.772 2.638 20 10 CFCDRN CS[C@@H](C)CNC(=O)NCc1cccc(Cl)c1O ZINC000893799767 619220827 /nfs/dbraw/zinc/22/08/27/619220827.db2.gz MOGBPEHVDMSWIO-QMMMGPOBSA-N 0 0 288.800 2.596 20 10 CFCDRN Cc1n[nH]c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000893863335 619230520 /nfs/dbraw/zinc/23/05/20/619230520.db2.gz GCWDYTNAJGCXQZ-UHFFFAOYSA-N 0 0 272.396 2.725 20 10 CFCDRN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893898757 619236886 /nfs/dbraw/zinc/23/68/86/619236886.db2.gz ZICFZBSMPYIERO-JSGCOSHPSA-N 0 0 279.380 2.709 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2(C)CCOCC2)cc1 ZINC000726768361 619261951 /nfs/dbraw/zinc/26/19/51/619261951.db2.gz ZUCGYUWOTRBZJT-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN CCn1cc(NCc2cc(C)cc(OC)c2O)cn1 ZINC000894363532 619352179 /nfs/dbraw/zinc/35/21/79/619352179.db2.gz DZYKWJPSOXKUMS-UHFFFAOYSA-N 0 0 261.325 2.538 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)cn1C ZINC000048606759 619360411 /nfs/dbraw/zinc/36/04/11/619360411.db2.gz GQCHQWYBUIPIMR-UHFFFAOYSA-N 0 0 278.739 2.656 20 10 CFCDRN COC(=O)c1c(CN2CC(C)C2)c2cc(F)ccc2n1C ZINC000894608413 619426631 /nfs/dbraw/zinc/42/66/31/619426631.db2.gz HSESBXAKOGDHOU-UHFFFAOYSA-N 0 0 290.338 2.556 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](CCO)C(F)(F)F)cc1Cl ZINC000894849952 619483136 /nfs/dbraw/zinc/48/31/36/619483136.db2.gz GIUNAUDPEWYKJN-NSHDSACASA-N 0 0 297.704 2.757 20 10 CFCDRN CS[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894880931 619495466 /nfs/dbraw/zinc/49/54/66/619495466.db2.gz QGQYPHJNBLBMLH-SNVBAGLBSA-N 0 0 259.321 2.608 20 10 CFCDRN CS[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894880929 619495655 /nfs/dbraw/zinc/49/56/55/619495655.db2.gz QGQYPHJNBLBMLH-JTQLQIEISA-N 0 0 259.321 2.608 20 10 CFCDRN O=C(NCc1ccnc2ccccc12)C1=CC(=O)CS1 ZINC000748858639 619510878 /nfs/dbraw/zinc/51/08/78/619510878.db2.gz QQJXDCVLKUVRRJ-UHFFFAOYSA-N 0 0 284.340 2.932 20 10 CFCDRN CCc1cnc(CCNC(=O)Nc2ccc(N)cc2)s1 ZINC000841299026 619540096 /nfs/dbraw/zinc/54/00/96/619540096.db2.gz FGEBJFBKTCKDOE-UHFFFAOYSA-N 0 0 290.392 2.652 20 10 CFCDRN Nc1ccc(NC(=O)Nc2cnn(CC3CC3)c2)cc1 ZINC000841299829 619545313 /nfs/dbraw/zinc/54/53/13/619545313.db2.gz KUQXZWVNGZBNTJ-UHFFFAOYSA-N 0 0 271.324 2.519 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000895539930 619550561 /nfs/dbraw/zinc/55/05/61/619550561.db2.gz MPPKNXWFEHUAAE-CZMCAQCFSA-N 0 0 273.735 2.699 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1C=CCC1 ZINC000895721378 619590950 /nfs/dbraw/zinc/59/09/50/619590950.db2.gz WXNRAGGYDYLVHT-JTQLQIEISA-N 0 0 266.728 2.563 20 10 CFCDRN CCc1nc(C)cc(NCc2c(O)cccc2F)n1 ZINC000895832674 619619508 /nfs/dbraw/zinc/61/95/08/619619508.db2.gz LOXZAUMDERQEIN-UHFFFAOYSA-N 0 0 261.300 2.804 20 10 CFCDRN Oc1cccc(F)c1CNc1cc(NC2CC2)ncn1 ZINC000895832820 619619518 /nfs/dbraw/zinc/61/95/18/619619518.db2.gz NFFDNSDQHJJXKK-UHFFFAOYSA-N 0 0 274.299 2.508 20 10 CFCDRN CCc1nsc(NCc2c(O)cccc2F)n1 ZINC000895833503 619619669 /nfs/dbraw/zinc/61/96/69/619619669.db2.gz YJTPCYOPUCTMGT-UHFFFAOYSA-N 0 0 253.302 2.557 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(CC)on1 ZINC000896058555 619663259 /nfs/dbraw/zinc/66/32/59/619663259.db2.gz QCMPMBVTUXTQNW-UHFFFAOYSA-N 0 0 288.347 2.995 20 10 CFCDRN CSCCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896452192 619737326 /nfs/dbraw/zinc/73/73/26/619737326.db2.gz YLKGCTGFVDBPJC-UHFFFAOYSA-N 0 0 297.401 2.795 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)c1cccc(F)c1 ZINC000896563765 619763580 /nfs/dbraw/zinc/76/35/80/619763580.db2.gz MSPOFKFXXJZCBY-MRXNPFEDSA-N 0 0 293.313 2.668 20 10 CFCDRN CC(C)c1nnc(CNCc2c(O)cccc2F)s1 ZINC000896644583 619778444 /nfs/dbraw/zinc/77/84/44/619778444.db2.gz XVSYKPIGEGVLJE-UHFFFAOYSA-N 0 0 281.356 2.796 20 10 CFCDRN CO[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896636189 619779543 /nfs/dbraw/zinc/77/95/43/619779543.db2.gz ABGBXRRUIWCFLH-MNOVXSKESA-N 0 0 253.317 2.579 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCCSCC1 ZINC000896636607 619779875 /nfs/dbraw/zinc/77/98/75/619779875.db2.gz CPKAMGKSDZAMHC-SNVBAGLBSA-N 0 0 255.358 2.907 20 10 CFCDRN CC[C@@H](C)[C@@H](C[NH2+]Cc1c([O-])cccc1F)OC ZINC000896638093 619780220 /nfs/dbraw/zinc/78/02/20/619780220.db2.gz OLPSKWYTQWNGQP-QMTHXVAHSA-N 0 0 255.333 2.682 20 10 CFCDRN COC[C@H](CC(C)C)[NH2+]Cc1c([O-])cccc1F ZINC000896637947 619780257 /nfs/dbraw/zinc/78/02/57/619780257.db2.gz SEXVCLBGZNLNOT-NSHDSACASA-N 0 0 255.333 2.682 20 10 CFCDRN C[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896758833 619803348 /nfs/dbraw/zinc/80/33/48/619803348.db2.gz UTURDPQFWMHAFC-MRVPVSSYSA-N 0 0 277.345 2.937 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897033945 619916877 /nfs/dbraw/zinc/91/68/77/619916877.db2.gz FTCMQBTUBUNYQJ-UHFFFAOYSA-N 0 0 297.345 2.797 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928706788 619996065 /nfs/dbraw/zinc/99/60/65/619996065.db2.gz ZZXDUUFTIDRGGH-QWRGUYRKSA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1coc(C2CCC2)n1 ZINC000928707581 619996239 /nfs/dbraw/zinc/99/62/39/619996239.db2.gz FTOQCWSWBQDWDD-UHFFFAOYSA-N 0 0 290.294 2.717 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1ccnc(C2CC2)c1 ZINC000928708573 619996301 /nfs/dbraw/zinc/99/63/01/619996301.db2.gz PPAUBPQFYOSSKD-UHFFFAOYSA-N 0 0 286.306 2.734 20 10 CFCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1c(O)cccc1F ZINC000928711876 619997180 /nfs/dbraw/zinc/99/71/80/619997180.db2.gz VIVLBUHKRUWATC-NSHDSACASA-N 0 0 293.338 2.639 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cccc(F)n1 ZINC000163314031 620047230 /nfs/dbraw/zinc/04/72/30/620047230.db2.gz XEXMYUNNRSQVRS-UHFFFAOYSA-N 0 0 297.380 2.589 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCCC2)c1 ZINC000728983670 620048043 /nfs/dbraw/zinc/04/80/43/620048043.db2.gz CKEGDMLIJXOOGY-JTQLQIEISA-N 0 0 263.337 2.768 20 10 CFCDRN Cc1ccc(C(=O)NCCC2=CCCC2)c(O)c1O ZINC000182895679 625394804 /nfs/dbraw/zinc/39/48/04/625394804.db2.gz AZBJTGKDQAWBOX-UHFFFAOYSA-N 0 0 261.321 2.636 20 10 CFCDRN COc1cccc(CNc2ccc(-n3nccn3)cc2)c1O ZINC000237434162 620218646 /nfs/dbraw/zinc/21/86/46/620218646.db2.gz RQXGQNBWJCUUEL-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237443659 620219082 /nfs/dbraw/zinc/21/90/82/620219082.db2.gz KWOLNMLDYZMXTK-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H]2CCCC[C@H]2O)ccc(F)c1F ZINC000897533345 620221766 /nfs/dbraw/zinc/22/17/66/620221766.db2.gz FBSSFUYVQXCDSL-ZWNOBZJWSA-N 0 0 285.334 2.701 20 10 CFCDRN C[N@@H+]1C[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@]2(C)C1 ZINC000897621450 620260473 /nfs/dbraw/zinc/26/04/73/620260473.db2.gz BPAREJICTJCGMD-ABAIWWIYSA-N 0 0 298.789 2.568 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000866415197 620402221 /nfs/dbraw/zinc/40/22/21/620402221.db2.gz ROXVUECXMOXAKY-ONGXEEELSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1nonc1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000924648204 620432371 /nfs/dbraw/zinc/43/23/71/620432371.db2.gz KTTQKZCLWOUVMR-GFCCVEGCSA-N 0 0 286.379 2.829 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H](C)c2cnn(C)n2)cc1 ZINC000924711077 620449876 /nfs/dbraw/zinc/44/98/76/620449876.db2.gz QGHWEZFCNXDOKF-CYBMUJFWSA-N 0 0 287.411 2.512 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000927147026 620493168 /nfs/dbraw/zinc/49/31/68/620493168.db2.gz IQIILKIHBAPUGV-KWBADKCTSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H](NC(=O)NC/C=C/Cl)c1ccccc1O ZINC000899031818 620516818 /nfs/dbraw/zinc/51/68/18/620516818.db2.gz JIMVLVTWLQBXMI-IYNCYZAOSA-N 0 0 254.717 2.505 20 10 CFCDRN O=C(C[C@@H]1CCC2(CCC2)O1)N1Cc2cccc(O)c2C1 ZINC000899172607 620528371 /nfs/dbraw/zinc/52/83/71/620528371.db2.gz CWVAYLSIBDNKLB-ZDUSSCGKSA-N 0 0 287.359 2.726 20 10 CFCDRN Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cnc1F ZINC000899260574 620538396 /nfs/dbraw/zinc/53/83/96/620538396.db2.gz LCXMZORZFKARJX-BJMVGYQFSA-N 0 0 294.376 2.893 20 10 CFCDRN Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cnc1F ZINC000899260575 620538463 /nfs/dbraw/zinc/53/84/63/620538463.db2.gz LCXMZORZFKARJX-YHYXMXQVSA-N 0 0 294.376 2.893 20 10 CFCDRN C[C@]1(CNC(=O)C2=CC(=O)CS2)CCOC2(CCC2)C1 ZINC000899487020 620574361 /nfs/dbraw/zinc/57/43/61/620574361.db2.gz FPBGWVGDABODLK-AWEZNQCLSA-N 0 0 295.404 2.923 20 10 CFCDRN CCn1cc(CN(CC2CC2)c2ccc(OC)cc2)nn1 ZINC000899867468 620607569 /nfs/dbraw/zinc/60/75/69/620607569.db2.gz PNINRWVUVIUPIT-UHFFFAOYSA-N 0 0 286.379 2.723 20 10 CFCDRN CCn1cccc(NCc2ccc(N(C)C)cc2C)c1=O ZINC000902118915 620982120 /nfs/dbraw/zinc/98/21/20/620982120.db2.gz FNWBKOQEQPNXFB-UHFFFAOYSA-N 0 0 285.391 2.855 20 10 CFCDRN CCOc1ccc(CNc2cnc(C)nc2)c(O)c1 ZINC000902205685 620997790 /nfs/dbraw/zinc/99/77/90/620997790.db2.gz BKPOIQWCIALMKH-UHFFFAOYSA-N 0 0 259.309 2.501 20 10 CFCDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000902899633 621204053 /nfs/dbraw/zinc/20/40/53/621204053.db2.gz RPIKCARYFUAXJO-BQDHKBFISA-N 0 0 287.407 2.596 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000903302305 621317189 /nfs/dbraw/zinc/31/71/89/621317189.db2.gz YTWZXQDLUGGTKO-LEWSCRJBSA-N 0 0 266.360 2.665 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903323653 621324344 /nfs/dbraw/zinc/32/43/44/621324344.db2.gz CEWZQEBMNLBJGR-BZNIZROVSA-N 0 0 299.374 2.993 20 10 CFCDRN CO[C@]1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCSC1 ZINC000903316968 621330213 /nfs/dbraw/zinc/33/02/13/621330213.db2.gz RGLQMGVACVNHFK-YGRLFVJLSA-N 0 0 285.384 2.704 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903317747 621330692 /nfs/dbraw/zinc/33/06/92/621330692.db2.gz MIVRMFIBGYHUCO-UWVGGRQHSA-N 0 0 288.313 2.766 20 10 CFCDRN CC[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(F)cc1[O-] ZINC000903331159 621340975 /nfs/dbraw/zinc/34/09/75/621340975.db2.gz CDNYPELAFMZLPE-MMWSSPAHSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]C1CC(CCO)C1)c1ccc(F)cc1[O-] ZINC000903331160 621341279 /nfs/dbraw/zinc/34/12/79/621341279.db2.gz CDNYPELAFMZLPE-OVGLSYRBSA-N 0 0 267.344 2.733 20 10 CFCDRN CC1(C)CC[C@H](CCNC(=O)Nc2ccc(N)cc2)OC1 ZINC000904501672 621602608 /nfs/dbraw/zinc/60/26/08/621602608.db2.gz VWVRSDDMRCQBGX-CQSZACIVSA-N 0 0 291.395 2.986 20 10 CFCDRN C/C(=C\c1ccc(N2CCC(O)CC2)cc1)c1ncccn1 ZINC000905077057 621699315 /nfs/dbraw/zinc/69/93/15/621699315.db2.gz QGIDMZUSGVKPAU-BUHFOSPRSA-N 0 0 295.386 2.998 20 10 CFCDRN CO[C@H](C)CCC(=O)NCCCSc1nccs1 ZINC000183582716 625518147 /nfs/dbraw/zinc/51/81/47/625518147.db2.gz QCQHBTSLKQICCG-SNVBAGLBSA-N 0 0 288.438 2.557 20 10 CFCDRN CCOc1ccc(N(C)Cc2cn(C3CC3)nn2)cc1 ZINC000906269371 621969247 /nfs/dbraw/zinc/96/92/47/621969247.db2.gz MLRHJIUVHOJGTD-UHFFFAOYSA-N 0 0 272.352 2.648 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2)cc1 ZINC000183814498 625544088 /nfs/dbraw/zinc/54/40/88/625544088.db2.gz RELKSQZFQNXBTG-UHFFFAOYSA-N 0 0 285.343 2.875 20 10 CFCDRN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)C1=CC(=O)CS1 ZINC000927479386 622163913 /nfs/dbraw/zinc/16/39/13/622163913.db2.gz GQMCXDINZYQQPT-IQJOONFLSA-N 0 0 251.351 2.620 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](C(F)F)C1 ZINC000802652950 622200905 /nfs/dbraw/zinc/20/09/05/622200905.db2.gz HWVVHRICDDKKNL-LLVKDONJSA-N 0 0 277.698 2.512 20 10 CFCDRN Cc1cccnc1/C=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000183845801 625549044 /nfs/dbraw/zinc/54/90/44/625549044.db2.gz WNPTXZMVCZQKDK-ZHACJKMWSA-N 0 0 295.386 2.786 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC2(CCC(O)CC2)CC1 ZINC000833267392 625552511 /nfs/dbraw/zinc/55/25/11/625552511.db2.gz APWZHHHNHIOMTL-UHFFFAOYSA-N 0 0 295.404 2.611 20 10 CFCDRN C[C@@H]1C[C@H](COC(=O)C2=CC(=O)CS2)C[C@H](C)O1 ZINC000909002322 622297147 /nfs/dbraw/zinc/29/71/47/622297147.db2.gz FZEUCNSZXGBQGF-MYJAWHEDSA-N 0 0 270.350 2.814 20 10 CFCDRN O=C(OCCOC1CCSCC1)C1=CC(=O)CS1 ZINC000909004350 622297622 /nfs/dbraw/zinc/29/76/22/622297622.db2.gz UTFHQVNLDLXEKI-UHFFFAOYSA-N 0 0 288.390 2.523 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccccc1C ZINC000044039054 622474382 /nfs/dbraw/zinc/47/43/82/622474382.db2.gz RUKUVPLNCSGACL-MDZDMXLPSA-N 0 0 269.348 2.795 20 10 CFCDRN CC(C)CC1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910950446 622488721 /nfs/dbraw/zinc/48/87/21/622488721.db2.gz FHMVMJVFGHFOBQ-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN CC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1O ZINC000910951005 622489337 /nfs/dbraw/zinc/48/93/37/622489337.db2.gz NCVABAYRWUYKLU-UHFFFAOYSA-N 0 0 299.370 2.983 20 10 CFCDRN CCCC[C@H](CC)C(=O)NCc1ccc(O)cc1O ZINC000910952027 622489395 /nfs/dbraw/zinc/48/93/95/622489395.db2.gz PINFXMSDFFNFTQ-NSHDSACASA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(O)cc1O)c1ccco1 ZINC000910943207 622491231 /nfs/dbraw/zinc/49/12/31/622491231.db2.gz KLLGTZQYFZBGHB-SNVBAGLBSA-N 0 0 275.304 2.501 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(O)cc2O)CCc2ccccc21 ZINC000910943349 622491345 /nfs/dbraw/zinc/49/13/45/622491345.db2.gz AMHLCXHXYAVEGN-SFHVURJKSA-N 0 0 297.354 2.618 20 10 CFCDRN CC(C)(CC(F)(F)F)C(=O)NCc1ccc(O)cc1O ZINC000910943205 622491361 /nfs/dbraw/zinc/49/13/61/622491361.db2.gz KKSPKCUONMSCKL-UHFFFAOYSA-N 0 0 291.269 2.693 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(O)cc1O ZINC000910942648 622491406 /nfs/dbraw/zinc/49/14/06/622491406.db2.gz GYRXDBKASLXHDG-CQSZACIVSA-N 0 0 269.316 2.632 20 10 CFCDRN Cc1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910944450 622491720 /nfs/dbraw/zinc/49/17/20/622491720.db2.gz MKMJXYNTUDUEOA-HZPDHXFCSA-N 0 0 297.354 2.826 20 10 CFCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910946184 622491725 /nfs/dbraw/zinc/49/17/25/622491725.db2.gz KDVFJXAEAJAVTP-GOPGUHFVSA-N 0 0 297.354 2.764 20 10 CFCDRN CCSCCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000081155993 625582148 /nfs/dbraw/zinc/58/21/48/625582148.db2.gz WEGJXLFTSRBSMR-UHFFFAOYSA-N 0 0 299.436 2.910 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCCC(F)(F)F)cc1 ZINC000820409210 622665318 /nfs/dbraw/zinc/66/53/18/622665318.db2.gz NVQAITFXDOWMMN-UHFFFAOYSA-N 0 0 288.229 2.531 20 10 CFCDRN CCOc1cc(Sc2nccs2)nc(C)n1 ZINC000820635548 622722100 /nfs/dbraw/zinc/72/21/00/622722100.db2.gz WNXTYQOFMDPFHG-UHFFFAOYSA-N 0 0 253.352 2.791 20 10 CFCDRN CCN(C(=O)c1ccnc2c1CCN2)c1cccc(C)c1C ZINC000912498247 622729092 /nfs/dbraw/zinc/72/90/92/622729092.db2.gz NRJLCMKZIFVHPS-UHFFFAOYSA-N 0 0 295.386 2.872 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000150787720 622751308 /nfs/dbraw/zinc/75/13/08/622751308.db2.gz LRNKSQQVUQFCPP-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820832116 622770172 /nfs/dbraw/zinc/77/01/72/622770172.db2.gz UVEALAIXFSFVSL-NXEZZACHSA-N 0 0 274.324 2.862 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(CO)c1 ZINC000820878022 622780107 /nfs/dbraw/zinc/78/01/07/622780107.db2.gz GZPFMFIPZSIGOQ-UHFFFAOYSA-N 0 0 289.331 2.530 20 10 CFCDRN COc1cccc(CNC(=O)C2CCC=CCC2)c1O ZINC000821065581 622839153 /nfs/dbraw/zinc/83/91/53/622839153.db2.gz PIRYVXSQPTUKEU-UHFFFAOYSA-N 0 0 275.348 2.763 20 10 CFCDRN CCONC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000840463327 622886998 /nfs/dbraw/zinc/88/69/98/622886998.db2.gz CEAXGZFDODUTSV-UHFFFAOYSA-N 0 0 279.384 2.626 20 10 CFCDRN CCc1nocc1CN(C)c1ccc(OC)cc1OC ZINC000821396260 622913479 /nfs/dbraw/zinc/91/34/79/622913479.db2.gz IIWONNSYSAOJJJ-UHFFFAOYSA-N 0 0 276.336 2.891 20 10 CFCDRN C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647236 623007997 /nfs/dbraw/zinc/00/79/97/623007997.db2.gz VKSUBJPWHFUANB-NSHDSACASA-N 0 0 293.386 2.832 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000224895209 623018576 /nfs/dbraw/zinc/01/85/76/623018576.db2.gz ZJJDWDINWZKWIG-VXGBXAGGSA-N 0 0 269.772 2.949 20 10 CFCDRN CCNC(=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000226581117 623083391 /nfs/dbraw/zinc/08/33/91/623083391.db2.gz OXYFOCVZZVZKRS-UHFFFAOYSA-N 0 0 288.322 2.893 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(F)ccc1O ZINC000227464626 623110662 /nfs/dbraw/zinc/11/06/62/623110662.db2.gz RDUXYRKMLWAPQC-LLVKDONJSA-N 0 0 275.323 2.874 20 10 CFCDRN CCC[C@@H](OC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495796 623116477 /nfs/dbraw/zinc/11/64/77/623116477.db2.gz PLJWYVJRWYSTKO-MRXNPFEDSA-N 0 0 290.407 2.718 20 10 CFCDRN C[C@H](NC(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000060105981 623117603 /nfs/dbraw/zinc/11/76/03/623117603.db2.gz QKJDDNMDSRWYAA-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)F ZINC000822578188 623129552 /nfs/dbraw/zinc/12/95/52/623129552.db2.gz IDWMOQWCCGLYPN-UHFFFAOYSA-N 0 0 284.266 2.623 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1F ZINC000822862701 623191507 /nfs/dbraw/zinc/19/15/07/623191507.db2.gz KPTFCZRSNXFBMA-RDBSUJKOSA-N 0 0 290.382 2.944 20 10 CFCDRN CCOCc1nc(Cl)cc(NCc2ccccc2O)n1 ZINC000229337360 623199101 /nfs/dbraw/zinc/19/91/01/623199101.db2.gz LXMZZBPNGCKHBV-UHFFFAOYSA-N 0 0 293.754 2.984 20 10 CFCDRN CCCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000171728828 623240544 /nfs/dbraw/zinc/24/05/44/623240544.db2.gz UNNUCDRUBBMYKO-LLVKDONJSA-N 0 0 280.368 2.951 20 10 CFCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000230153203 623255826 /nfs/dbraw/zinc/25/58/26/623255826.db2.gz JOKNVXNVOHEZOE-ZANVPECISA-N 0 0 255.745 2.703 20 10 CFCDRN CCC[C@H](OC)C(=O)NCCCSc1nccs1 ZINC000823298446 623287630 /nfs/dbraw/zinc/28/76/30/623287630.db2.gz RZXXTVFXRMKWDU-JTQLQIEISA-N 0 0 288.438 2.557 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000823770265 623393962 /nfs/dbraw/zinc/39/39/62/623393962.db2.gz OUGMWYOGJNXVAH-KBPBESRZSA-N 0 0 274.364 2.628 20 10 CFCDRN Cc1cc(Cl)cc(CNCc2noc(C3CC3)n2)c1O ZINC000824320883 623490385 /nfs/dbraw/zinc/49/03/85/623490385.db2.gz LWNHOPLISDNQSR-UHFFFAOYSA-N 0 0 293.754 2.904 20 10 CFCDRN CCN(CC)c1ccc(CNc2cccnn2)cc1 ZINC000174691374 623500957 /nfs/dbraw/zinc/50/09/57/623500957.db2.gz LELOIXMJNBDBDG-UHFFFAOYSA-N 0 0 256.353 2.935 20 10 CFCDRN 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Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000825450548 623696163 /nfs/dbraw/zinc/69/61/63/623696163.db2.gz ICSAHAZSQHROEX-VXGBXAGGSA-N 0 0 283.799 2.947 20 10 CFCDRN Cc1cccc2c1O[C@H](C(=O)N(C)Cc1ccccc1O)C2 ZINC000825481495 623700020 /nfs/dbraw/zinc/70/00/20/623700020.db2.gz KRYPBCZGGQCJGC-INIZCTEOSA-N 0 0 297.354 2.663 20 10 CFCDRN C[C@H]1Cc2cccc(C(=O)N(C)Cc3ccccc3O)c2O1 ZINC000825481212 623700806 /nfs/dbraw/zinc/70/08/06/623700806.db2.gz HEJUVFUZWIHAAM-LBPRGKRZSA-N 0 0 297.354 2.988 20 10 CFCDRN CCc1oc(C(=O)NCCc2ccc(N)cc2)cc1C ZINC000152521530 623727881 /nfs/dbraw/zinc/72/78/81/623727881.db2.gz QNVLNGBEFXQXJW-UHFFFAOYSA-N 0 0 272.348 2.705 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1(CC2CC2)CC1 ZINC000914347760 623768897 /nfs/dbraw/zinc/76/88/97/623768897.db2.gz PQPAPQKTAFKFNT-XQRVVYSFSA-N 0 0 287.359 2.808 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000914366237 623774000 /nfs/dbraw/zinc/77/40/00/623774000.db2.gz MCJNIHWNKJKZPG-ZJUUUORDSA-N 0 0 268.332 2.765 20 10 CFCDRN CC[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000826028393 623784952 /nfs/dbraw/zinc/78/49/52/623784952.db2.gz ZDJNGVDZQOLJQB-NXEZZACHSA-N 0 0 281.327 2.936 20 10 CFCDRN Cc1cc(O)c(CN(CC(F)F)C[C@@H](C)O)cc1Cl ZINC000826089242 623792624 /nfs/dbraw/zinc/79/26/24/623792624.db2.gz BNTWGABOMCRZJZ-SECBINFHSA-N 0 0 293.741 2.802 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000914750830 623932345 /nfs/dbraw/zinc/93/23/45/623932345.db2.gz HRZOKMVTQWUZCP-UHFFFAOYSA-N 0 0 271.364 2.628 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000827073604 623935657 /nfs/dbraw/zinc/93/56/57/623935657.db2.gz ZDUKRBAXBVWTKH-LLVKDONJSA-N 0 0 295.688 2.699 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@]23CCO[C@H]2CCCC3)c1 ZINC000827166906 623957506 /nfs/dbraw/zinc/95/75/06/623957506.db2.gz LBEGLGKJFPBXDN-RDJZCZTQSA-N 0 0 289.375 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000827166094 623957917 /nfs/dbraw/zinc/95/79/17/623957917.db2.gz FLIVNPVRHQBFJT-XJKSGUPXSA-N 0 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O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000834555306 625710239 /nfs/dbraw/zinc/71/02/39/625710239.db2.gz QRAXWDDUMXKVIS-OAHLLOKOSA-N 0 0 276.336 2.969 20 10 CFCDRN CCOc1ccc(O)c([C@@H]2Nc3cccc(C)c3C(=O)N2)c1 ZINC000917419755 624341777 /nfs/dbraw/zinc/34/17/77/624341777.db2.gz CGWALPMJBXMRHV-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN C[C@H](NCc1cn(CC2CC2)nn1)c1ccc(N(C)C)cc1 ZINC000828959601 624342258 /nfs/dbraw/zinc/34/22/58/624342258.db2.gz NSICWZCIMLQGDV-ZDUSSCGKSA-N 0 0 299.422 2.605 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C)c2ncccn2)s1 ZINC000917779080 624384430 /nfs/dbraw/zinc/38/44/30/624384430.db2.gz XRCOODNFHNSEGC-SSDOTTSWSA-N 0 0 281.362 2.573 20 10 CFCDRN COc1cc(-c2nc3cc(C)ccc3[nH]2)cc(O)c1O ZINC000154636767 624414775 /nfs/dbraw/zinc/41/47/75/624414775.db2.gz ZVEZCGDPMTUVJO-UHFFFAOYSA-N 0 0 270.288 2.958 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1C ZINC000918171102 624422261 /nfs/dbraw/zinc/42/22/61/624422261.db2.gz YNPAAXSKMOCSSY-FNORWQNLSA-N 0 0 267.332 2.770 20 10 CFCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cncnc1 ZINC000154719056 624436066 /nfs/dbraw/zinc/43/60/66/624436066.db2.gz MRWXCHRYPJYVEV-UHFFFAOYSA-N 0 0 295.342 2.978 20 10 CFCDRN CC(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000829713565 624513062 /nfs/dbraw/zinc/51/30/62/624513062.db2.gz LKGXNKQWPXXRPG-JTQLQIEISA-N 0 0 281.327 2.745 20 10 CFCDRN Cc1ccc(O)c(CN2CCOc3cc(N(C)C)ccc32)n1 ZINC000154911820 624532031 /nfs/dbraw/zinc/53/20/31/624532031.db2.gz AVMMMLRJVJWJPQ-UHFFFAOYSA-N 0 0 299.374 2.561 20 10 CFCDRN CC(C)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O ZINC000829811769 624551149 /nfs/dbraw/zinc/55/11/49/624551149.db2.gz DLYDRWQYGMUESH-UHFFFAOYSA-N 0 0 269.316 2.649 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCCO ZINC000919565218 624586068 /nfs/dbraw/zinc/58/60/68/624586068.db2.gz COCFCQVERIUVSA-UHFFFAOYSA-N 0 0 279.361 2.695 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2n1CCC2 ZINC000830141123 624640888 /nfs/dbraw/zinc/64/08/88/624640888.db2.gz NEPPGAXZVVZXRD-UHFFFAOYSA-N 0 0 299.374 2.587 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCc1cccnc1 ZINC000830140451 624640905 /nfs/dbraw/zinc/64/09/05/624640905.db2.gz DEESAJUCTFKSDD-UHFFFAOYSA-N 0 0 284.359 2.769 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC2(CC2)C1 ZINC000830531622 624773817 /nfs/dbraw/zinc/77/38/17/624773817.db2.gz LROJPOGGYADARN-CYBMUJFWSA-N 0 0 289.375 2.727 20 10 CFCDRN CCOC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1 ZINC000830540463 624775629 /nfs/dbraw/zinc/77/56/29/624775629.db2.gz KMMGYMFDSZQHOA-LLVKDONJSA-N 0 0 293.363 2.537 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)SC)c1 ZINC000830541301 624775711 /nfs/dbraw/zinc/77/57/11/624775711.db2.gz WIKKOFYJECXEMS-VIFPVBQESA-N 0 0 283.393 2.720 20 10 CFCDRN CCC(F)(F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000830541492 624775867 /nfs/dbraw/zinc/77/58/67/624775867.db2.gz YYKASRAXBSOMSM-MRVPVSSYSA-N 0 0 273.279 2.623 20 10 CFCDRN C[C@H](C(=O)NCCCSc1nccs1)C1CC1 ZINC000175330951 624947576 /nfs/dbraw/zinc/94/75/76/624947576.db2.gz SYRZSDZOEYZSGW-VIFPVBQESA-N 0 0 270.423 2.788 20 10 CFCDRN CO[C@@H](C)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000175506018 624953988 /nfs/dbraw/zinc/95/39/88/624953988.db2.gz QPPLWVSFDZCEPM-ZETCQYMHSA-N 0 0 251.307 2.929 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000175607034 624958258 /nfs/dbraw/zinc/95/82/58/624958258.db2.gz VLRZHPYHNWLQOS-DLBZAZTESA-N 0 0 284.403 2.949 20 10 CFCDRN CN(CC(=O)N(C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000121396746 624973197 /nfs/dbraw/zinc/97/31/97/624973197.db2.gz JQEMSSCHUSCMIB-UHFFFAOYSA-N 0 0 298.342 2.515 20 10 CFCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F ZINC000831352866 624996670 /nfs/dbraw/zinc/99/66/70/624996670.db2.gz DWURHXPCJKMPTF-UHFFFAOYSA-N 0 0 295.232 2.555 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180590977 625028832 /nfs/dbraw/zinc/02/88/32/625028832.db2.gz QYBPDVFQXHIZHN-UULDIIRDSA-N 0 0 275.348 2.806 20 10 CFCDRN CN(Cc1cc(F)ccc1O)c1ccc2c(c1)OCO2 ZINC000180760715 625038201 /nfs/dbraw/zinc/03/82/01/625038201.db2.gz OTZDIADWHNOSLM-UHFFFAOYSA-N 0 0 275.279 2.896 20 10 CFCDRN CN(Cc1cccc(O)c1)c1ccc2c(c1)OCO2 ZINC000180760768 625038215 /nfs/dbraw/zinc/03/82/15/625038215.db2.gz PSLXDOOASWGWSN-UHFFFAOYSA-N 0 0 257.289 2.757 20 10 CFCDRN CC(C)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180917825 625048965 /nfs/dbraw/zinc/04/89/65/625048965.db2.gz YZGBOWPPIDZVGL-FNORWQNLSA-N 0 0 263.337 2.616 20 10 CFCDRN COc1ccc(N(Cc2ncccn2)CC2CC2)cc1 ZINC000831587505 625061476 /nfs/dbraw/zinc/06/14/76/625061476.db2.gz BYPGQYWLILASRE-UHFFFAOYSA-N 0 0 269.348 2.902 20 10 CFCDRN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000181626164 625194466 /nfs/dbraw/zinc/19/44/66/625194466.db2.gz LLPQFCHEUBECBL-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN Nc1ccc(CC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000831966027 625195018 /nfs/dbraw/zinc/19/50/18/625195018.db2.gz KQBBAKXCXXTOFZ-UHFFFAOYSA-N 0 0 292.382 2.885 20 10 CFCDRN C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(N)cc3)ccn2)C1 ZINC000832244759 625252191 /nfs/dbraw/zinc/25/21/91/625252191.db2.gz UOTIAIFYMVCFJY-GFCCVEGCSA-N 0 0 296.374 2.762 20 10 CFCDRN Oc1ccc(Cl)cc1CNCc1cscn1 ZINC000082367489 625722076 /nfs/dbraw/zinc/72/20/76/625722076.db2.gz OHBRHLZMTVIUEC-UHFFFAOYSA-N 0 0 254.742 2.792 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000185387238 625722578 /nfs/dbraw/zinc/72/25/78/625722578.db2.gz UNVBBFYDWXZDAR-GFCCVEGCSA-N 0 0 285.343 2.767 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000185523220 625733592 /nfs/dbraw/zinc/73/35/92/625733592.db2.gz ZIJGYRYOIKOCIW-STQMWFEESA-N 0 0 297.370 2.625 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000834832590 625889890 /nfs/dbraw/zinc/88/98/90/625889890.db2.gz QQKNRYLRVYKCHJ-BXUZGUMPSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834830300 625891346 /nfs/dbraw/zinc/89/13/46/625891346.db2.gz BJLYKFAABSBHPN-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000834860506 625904361 /nfs/dbraw/zinc/90/43/61/625904361.db2.gz SDVGAMUUWDBMBZ-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000834860509 625904800 /nfs/dbraw/zinc/90/48/00/625904800.db2.gz SDVGAMUUWDBMBZ-NSHDSACASA-N 0 0 287.319 2.855 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)C(F)F ZINC000834876135 625906668 /nfs/dbraw/zinc/90/66/68/625906668.db2.gz ZIYMTPPAQUZXJS-HUABCPSTSA-N 0 0 295.276 2.726 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834879029 625907630 /nfs/dbraw/zinc/90/76/30/625907630.db2.gz VVELQLWGLTXYPQ-NXEZZACHSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834899474 625914166 /nfs/dbraw/zinc/91/41/66/625914166.db2.gz HOXYNCUDRHIBSR-UHIISALHSA-N 0 0 294.351 2.502 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(F)cc1[O-] ZINC000834906440 625919476 /nfs/dbraw/zinc/91/94/76/625919476.db2.gz ZNXWCOMHCYWERV-OCCSQVGLSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2c1c(F)ccc2O ZINC000834914559 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/nfs/dbraw/zinc/76/52/26/627765226.db2.gz GGIMZWBAHVXAOU-CYBMUJFWSA-N 0 0 283.375 2.947 20 10 CFCDRN C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000772996367 627765846 /nfs/dbraw/zinc/76/58/46/627765846.db2.gz DHSPQZVGVOWJIQ-KGLIPLIRSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](C)OCC1CC1)c1ccc(N(C)C)cc1 ZINC000773012497 627768544 /nfs/dbraw/zinc/76/85/44/627768544.db2.gz CINVJKZQFSMBHQ-CHWSQXEVSA-N 0 0 290.407 2.745 20 10 CFCDRN C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc(N(C)C)cc1 ZINC000773012414 627768642 /nfs/dbraw/zinc/76/86/42/627768642.db2.gz HNBSIODACCPJIE-XJKSGUPXSA-N 0 0 290.407 2.889 20 10 CFCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773010445 627768645 /nfs/dbraw/zinc/76/86/45/627768645.db2.gz ACGUQLRSGVIXFW-LBPRGKRZSA-N 0 0 299.374 2.647 20 10 CFCDRN COc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773019806 627769487 /nfs/dbraw/zinc/76/94/87/627769487.db2.gz QSKWSMSXWQKBHF-LBPRGKRZSA-N 0 0 299.374 2.647 20 10 CFCDRN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773021077 627770319 /nfs/dbraw/zinc/77/03/19/627770319.db2.gz RQQQBJFGTIPUCI-SNVBAGLBSA-N 0 0 287.363 2.848 20 10 CFCDRN CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773020652 627770329 /nfs/dbraw/zinc/77/03/29/627770329.db2.gz PYOGCICPZIKMJY-LLVKDONJSA-N 0 0 299.374 2.774 20 10 CFCDRN COCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773023365 627770379 /nfs/dbraw/zinc/77/03/79/627770379.db2.gz WVGKFPRJFXKKFU-KGLIPLIRSA-N 0 0 292.423 2.993 20 10 CFCDRN C[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(N(C)C)cc1 ZINC000773021062 627770543 /nfs/dbraw/zinc/77/05/43/627770543.db2.gz RGNNYRYXOFZGOL-NSHDSACASA-N 0 0 298.390 2.844 20 10 CFCDRN CCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773128525 627786662 /nfs/dbraw/zinc/78/66/62/627786662.db2.gz DYTPWWJWWBRNLK-LBPRGKRZSA-N 0 0 263.385 2.913 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C)s2)cc1OC ZINC000773422070 627817509 /nfs/dbraw/zinc/81/75/09/627817509.db2.gz RBKKVSOSDHBEAS-UHFFFAOYSA-N 0 0 279.365 2.500 20 10 CFCDRN CCCCSCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773740884 627853400 /nfs/dbraw/zinc/85/34/00/627853400.db2.gz QTNWDKJOZHVEHP-LLVKDONJSA-N 0 0 297.420 2.678 20 10 CFCDRN CCCCSCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773740891 627853688 /nfs/dbraw/zinc/85/36/88/627853688.db2.gz QTNWDKJOZHVEHP-NSHDSACASA-N 0 0 297.420 2.678 20 10 CFCDRN CCOC(=O)CN(CC)Cc1ccc(N(C)CC)cc1 ZINC000773753580 627855568 /nfs/dbraw/zinc/85/55/68/627855568.db2.gz SVGQTNGUGJTVIA-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000773763648 627856652 /nfs/dbraw/zinc/85/66/52/627856652.db2.gz XINKNRARNFKUOA-YPMHNXCESA-N 0 0 291.391 2.971 20 10 CFCDRN CCC/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773769436 627857272 /nfs/dbraw/zinc/85/72/72/627857272.db2.gz VBQNHLYQHUHIFS-MVIFTORASA-N 0 0 263.337 2.501 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000774392821 627920383 /nfs/dbraw/zinc/92/03/83/627920383.db2.gz LALPWXUKCFLTNP-RYUDHWBXSA-N 0 0 295.404 2.733 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000774392823 627920727 /nfs/dbraw/zinc/92/07/27/627920727.db2.gz LALPWXUKCFLTNP-VXGBXAGGSA-N 0 0 295.404 2.733 20 10 CFCDRN CCc1ccnc(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000774816748 627966887 /nfs/dbraw/zinc/96/68/87/627966887.db2.gz USUKPOLAWABGHD-UHFFFAOYSA-N 0 0 297.402 2.948 20 10 CFCDRN Cc1c(NCc2c(O)cccc2Cl)cnn1C ZINC000774822220 627967718 /nfs/dbraw/zinc/96/77/18/627967718.db2.gz BZYKFPMCRDUVNM-UHFFFAOYSA-N 0 0 251.717 2.700 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774904342 627978173 /nfs/dbraw/zinc/97/81/73/627978173.db2.gz RAEJZKOKWPUMMW-NXEZZACHSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775034547 627986417 /nfs/dbraw/zinc/98/64/17/627986417.db2.gz ULZBKWNYIDHISG-NSHDSACASA-N 0 0 294.351 2.977 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nnc(C)c(C)n1 ZINC000775508153 628032164 /nfs/dbraw/zinc/03/21/64/628032164.db2.gz ABUCPWKEBGPSRM-UHFFFAOYSA-N 0 0 272.352 2.611 20 10 CFCDRN COCCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775664946 628052218 /nfs/dbraw/zinc/05/22/18/628052218.db2.gz SMJGXWJQUHSJGJ-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000775680372 628055206 /nfs/dbraw/zinc/05/52/06/628055206.db2.gz BDPOGPAOKFELTP-NSHDSACASA-N 0 0 269.772 2.640 20 10 CFCDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000775698557 628056733 /nfs/dbraw/zinc/05/67/33/628056733.db2.gz YHNIXHGGOSHKEL-CYBMUJFWSA-N 0 0 298.390 2.761 20 10 CFCDRN CCCC[C@@H](NCc1ccc(OCC)cc1O)C(=O)OC ZINC000775980072 628089826 /nfs/dbraw/zinc/08/98/26/628089826.db2.gz ODQJXLBRPLZCCG-CQSZACIVSA-N 0 0 295.379 2.612 20 10 CFCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)ccc1O ZINC000776003099 628093459 /nfs/dbraw/zinc/09/34/59/628093459.db2.gz WRTGBWKATGPFDZ-GWCFXTLKSA-N 0 0 297.782 2.819 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000776038724 628096907 /nfs/dbraw/zinc/09/69/07/628096907.db2.gz IREWPYGOWPSWPG-SECBINFHSA-N 0 0 273.735 2.701 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000776038726 628097339 /nfs/dbraw/zinc/09/73/39/628097339.db2.gz IREWPYGOWPSWPG-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776048191 628097592 /nfs/dbraw/zinc/09/75/92/628097592.db2.gz KHJDQFAMHXCQSN-LLVKDONJSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776248247 628122204 /nfs/dbraw/zinc/12/22/04/628122204.db2.gz LHFFWTDOQGVISM-MNOVXSKESA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1 ZINC000776282097 628125855 /nfs/dbraw/zinc/12/58/55/628125855.db2.gz OCTSTLNHZKHDPH-JTQLQIEISA-N 0 0 286.283 2.526 20 10 CFCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000776281303 628125964 /nfs/dbraw/zinc/12/59/64/628125964.db2.gz IMJDRAULEKYSCB-RYUDHWBXSA-N 0 0 283.393 2.777 20 10 CFCDRN Cc1cccc(COC(=O)c2cccc(O)c2O)c1 ZINC000776282727 628125977 /nfs/dbraw/zinc/12/59/77/628125977.db2.gz VXHLGJHQQHPGAN-UHFFFAOYSA-N 0 0 258.273 2.763 20 10 CFCDRN COc1cc(C)cc(CN2CCC(F)(F)C2)c1O ZINC000776290676 628127378 /nfs/dbraw/zinc/12/73/78/628127378.db2.gz AXJKSOXEMHDGDC-UHFFFAOYSA-N 0 0 257.280 2.550 20 10 CFCDRN O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(O)c1O ZINC000776327611 628132472 /nfs/dbraw/zinc/13/24/72/628132472.db2.gz LKJQSZMUILPIJJ-UHFFFAOYSA-N 0 0 295.298 2.536 20 10 CFCDRN CCOc1ccc(CN2CCC(F)(F)C2)c(O)c1 ZINC000776692354 628167955 /nfs/dbraw/zinc/16/79/55/628167955.db2.gz ASMNJRDQYCQWGH-UHFFFAOYSA-N 0 0 257.280 2.632 20 10 CFCDRN CSc1ccccc1CC(=O)NCc1ccccc1O ZINC000777420606 628224284 /nfs/dbraw/zinc/22/42/84/628224284.db2.gz VYMYIZNUABBHBE-UHFFFAOYSA-N 0 0 287.384 2.973 20 10 CFCDRN COc1cccc(O)c1CNc1cnn(C(C)C)c1 ZINC000777465257 628228733 /nfs/dbraw/zinc/22/87/33/628228733.db2.gz HILWWSSJYMVPGU-UHFFFAOYSA-N 0 0 261.325 2.790 20 10 CFCDRN CN(C)c1ccc(CN2CC[C@@H]2C(F)(F)F)cc1 ZINC000852058879 634639775 /nfs/dbraw/zinc/63/97/75/634639775.db2.gz PEUVNSGTAUJCRN-GFCCVEGCSA-N 0 0 258.287 2.889 20 10 CFCDRN COc1ccc(N(CC(C)C)CC2OCCO2)cc1 ZINC000777609818 628240997 /nfs/dbraw/zinc/24/09/97/628240997.db2.gz UCKWSASIHBNKNG-UHFFFAOYSA-N 0 0 265.353 2.531 20 10 CFCDRN Cc1cc(C(=O)CN(C)c2ccc3c(c2)OCO3)c(C)[nH]1 ZINC000777713609 628247494 /nfs/dbraw/zinc/24/74/94/628247494.db2.gz VDOWQDFQUANUEN-UHFFFAOYSA-N 0 0 286.331 2.679 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC=CO1 ZINC000777852982 628258040 /nfs/dbraw/zinc/25/80/40/628258040.db2.gz KGVLZACHGPPDDU-INIZCTEOSA-N 0 0 288.391 2.794 20 10 CFCDRN COCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000777982753 628270193 /nfs/dbraw/zinc/27/01/93/628270193.db2.gz UVJULIKJBUFEFU-CYBMUJFWSA-N 0 0 292.423 2.740 20 10 CFCDRN CCCC1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000778925645 628340062 /nfs/dbraw/zinc/34/00/62/628340062.db2.gz MQVNSXIWXAVGCB-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN Cc1ccc2[nH]c(C(=O)NCc3ccc(O)c(O)c3)cc2c1 ZINC000778929478 628340108 /nfs/dbraw/zinc/34/01/08/628340108.db2.gz LRZNSIHYNHXWHF-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN CC(C)c1cccc(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000778930309 628340416 /nfs/dbraw/zinc/34/04/16/628340416.db2.gz UBDWJYIOEWJJOI-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000779023625 628345784 /nfs/dbraw/zinc/34/57/84/628345784.db2.gz UZLXKKHHALORAQ-QPUJVOFHSA-N 0 0 293.260 2.683 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cc(F)cc(F)c1[O-] ZINC000779086793 628351142 /nfs/dbraw/zinc/35/11/42/628351142.db2.gz BZLBCNAIGCWPGL-PKFCDNJMSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cc(F)cc(F)c1[O-] ZINC000779086788 628351450 /nfs/dbraw/zinc/35/14/50/628351450.db2.gz BZLBCNAIGCWPGL-BHDSKKPTSA-N 0 0 285.334 2.872 20 10 CFCDRN CCOc1ccc(C=C2SC(=S)NC2=O)cc1F ZINC000779220498 628361251 /nfs/dbraw/zinc/36/12/51/628361251.db2.gz CZZCWPNVKYRDID-UXBLZVDNSA-N 0 0 283.349 2.713 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2n1 ZINC000779381780 628377749 /nfs/dbraw/zinc/37/77/49/628377749.db2.gz DLFVACQTARENSQ-UHFFFAOYSA-N 0 0 281.315 2.541 20 10 CFCDRN CC1(C)CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779547036 628387817 /nfs/dbraw/zinc/38/78/17/628387817.db2.gz IMKXRXTUAXWZEG-RNZFLTOJSA-N 0 0 275.348 2.806 20 10 CFCDRN COC1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000780207474 628438960 /nfs/dbraw/zinc/43/89/60/628438960.db2.gz FQJBBOSUUMMGKP-UHFFFAOYSA-N 0 0 290.407 2.574 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000780360633 628458367 /nfs/dbraw/zinc/45/83/67/628458367.db2.gz YYWKEFTYFZZVGJ-AAEUAGOBSA-N 0 0 293.386 2.880 20 10 CFCDRN CC1(C)CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000780591290 628480750 /nfs/dbraw/zinc/48/07/50/628480750.db2.gz RENMZERKDVTDTA-UHFFFAOYSA-N 0 0 264.325 2.826 20 10 CFCDRN Fc1cc(CN2CCC=C(F)C2)ccc1N1CCOCC1 ZINC000780894899 628503051 /nfs/dbraw/zinc/50/30/51/628503051.db2.gz LWNFOGJDTVHWCH-UHFFFAOYSA-N 0 0 294.345 2.721 20 10 CFCDRN COc1cc(C)ccc1C(=O)N(C)Cc1ccccc1O ZINC000780902009 628503477 /nfs/dbraw/zinc/50/34/77/628503477.db2.gz NAEAQFJMGHOXEN-UHFFFAOYSA-N 0 0 285.343 2.981 20 10 CFCDRN CSc1ccc(NC(=O)c2ccc(C)c(O)c2O)nc1 ZINC000780945299 628507089 /nfs/dbraw/zinc/50/70/89/628507089.db2.gz VHLKUQMGOZHWOH-UHFFFAOYSA-N 0 0 290.344 2.775 20 10 CFCDRN CC/C(C)=C(\C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000780984710 628511193 /nfs/dbraw/zinc/51/11/93/628511193.db2.gz MHQRGPDVUSKRDE-ZHACJKMWSA-N 0 0 263.337 2.503 20 10 CFCDRN CCN(Cc1cn(C)nn1)Cc1cc(Cl)cc(C)c1O ZINC000781931371 628591970 /nfs/dbraw/zinc/59/19/70/628591970.db2.gz UTTRZMDNOZTJEF-UHFFFAOYSA-N 0 0 294.786 2.505 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783302117 628699429 /nfs/dbraw/zinc/69/94/29/628699429.db2.gz BSIYQFMYZVQOKU-ZYHUDNBSSA-N 0 0 278.308 2.644 20 10 CFCDRN COC[C@H](CN(C)c1ccc(-c2nccs2)cc1)OC ZINC000852165691 634677864 /nfs/dbraw/zinc/67/78/64/634677864.db2.gz HSEHTYXTNWTRPS-AWEZNQCLSA-N 0 0 292.404 2.908 20 10 CFCDRN Cc1nnc([C@H](C)OC(=O)C2=CC(=O)CS2)s1 ZINC000783609393 628726649 /nfs/dbraw/zinc/72/66/49/628726649.db2.gz YRYMKIJBCQMPPM-YFKPBYRVSA-N 0 0 270.335 2.532 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2CCOC2)cc1OC ZINC000783668750 628732628 /nfs/dbraw/zinc/73/26/28/628732628.db2.gz ZBZYNSCSESJDLX-GFCCVEGCSA-N 0 0 265.353 2.567 20 10 CFCDRN C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)(C)C ZINC000783684590 628734729 /nfs/dbraw/zinc/73/47/29/628734729.db2.gz XEHKWVACWDQCOJ-SECBINFHSA-N 0 0 280.320 2.506 20 10 CFCDRN C[C@H]1CC/C(=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784072152 628771812 /nfs/dbraw/zinc/77/18/12/628771812.db2.gz UYUVQKINDRLADN-QBQSQJOESA-N 0 0 290.315 2.570 20 10 CFCDRN CC(C)[C@@H](F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000784075625 628772760 /nfs/dbraw/zinc/77/27/60/628772760.db2.gz AUMXMDRSJDOLNF-OAHLLOKOSA-N 0 0 278.371 2.679 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC)cc2OC)s1 ZINC000784206038 628791236 /nfs/dbraw/zinc/79/12/36/628791236.db2.gz WBRNFOXDDYCRNI-UHFFFAOYSA-N 0 0 293.392 2.754 20 10 CFCDRN CCC[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C ZINC000784445792 628817311 /nfs/dbraw/zinc/81/73/11/628817311.db2.gz NOKORBJGQSZKMY-GFCCVEGCSA-N 0 0 294.347 2.896 20 10 CFCDRN CCCCCN(C)c1ccc(OCC(=O)OC)cc1 ZINC000784556938 628827456 /nfs/dbraw/zinc/82/74/56/628827456.db2.gz KBDLFAYMVBGRQK-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCO)C1CCC1 ZINC000784672702 628835478 /nfs/dbraw/zinc/83/54/78/628835478.db2.gz QCGPTIGWYIBCQY-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN Cc1cncc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000785684715 628905060 /nfs/dbraw/zinc/90/50/60/628905060.db2.gz KXFKJKLAHDHNLV-HYXAFXHYSA-N 0 0 285.299 2.558 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787259946 629002474 /nfs/dbraw/zinc/00/24/74/629002474.db2.gz AYOLJKWDNPXNTD-FVQHAEBGSA-N 0 0 297.402 2.661 20 10 CFCDRN Cc1cscc1CNC(=O)c1ccc(C)c(O)c1O ZINC000787599865 629021742 /nfs/dbraw/zinc/02/17/42/629021742.db2.gz ZPIMERWFKOQBEF-UHFFFAOYSA-N 0 0 277.345 2.706 20 10 CFCDRN CSC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000788961745 629111365 /nfs/dbraw/zinc/11/13/65/629111365.db2.gz AREGZVJYNPZEHR-NSHDSACASA-N 0 0 278.421 2.825 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1cc(C)ccc1O ZINC000788983826 629113746 /nfs/dbraw/zinc/11/37/46/629113746.db2.gz HUUXOXVAJJMDPG-JTQLQIEISA-N 0 0 261.325 2.616 20 10 CFCDRN C[N@H+](CCCCCO)Cc1c([O-])ccc(Cl)c1F ZINC000789764000 629184967 /nfs/dbraw/zinc/18/49/67/629184967.db2.gz SODVDNYFPIORIG-UHFFFAOYSA-N 0 0 275.751 2.779 20 10 CFCDRN C[C@@H]1CCC[C@@]([NH2+]Cc2ccc3c(c2)CCO3)(C(=O)[O-])C1 ZINC000789901562 629195789 /nfs/dbraw/zinc/19/57/89/629195789.db2.gz AABAZGQIHOEJDO-PXAZEXFGSA-N 0 0 289.375 2.745 20 10 CFCDRN CN(Cc1cccc(F)c1)C(=O)c1c(F)ccc(O)c1O ZINC000789940390 629198367 /nfs/dbraw/zinc/19/83/67/629198367.db2.gz XEHDFRWPHFLQBM-UHFFFAOYSA-N 0 0 293.269 2.648 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(C)c2)c1 ZINC000789996423 629202844 /nfs/dbraw/zinc/20/28/44/629202844.db2.gz RFENCCIRDUAYQO-LLVKDONJSA-N 0 0 286.331 2.595 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CFCDRN Cc1cc(CNC/C=C\c2ccc(N(C)C)cc2)no1 ZINC000835037121 629332337 /nfs/dbraw/zinc/33/23/37/629332337.db2.gz OWIFIMRXUVERJM-PLNGDYQASA-N 0 0 271.364 2.852 20 10 CFCDRN CC(C)c1nnc(CNCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835054311 629355531 /nfs/dbraw/zinc/35/55/31/629355531.db2.gz JLPUTBQKVWRZHL-AATRIKPKSA-N 0 0 299.422 2.797 20 10 CFCDRN C[C@@H](O)CN(C/C=C\c1ccc(N(C)C)cc1)CC(F)F ZINC000835054247 629356040 /nfs/dbraw/zinc/35/60/40/629356040.db2.gz IABHKOWLFRIKRS-DSYXLKISSA-N 0 0 298.377 2.714 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000835060820 629364314 /nfs/dbraw/zinc/36/43/14/629364314.db2.gz NXLNJCJTXKPJPL-UHFFFAOYSA-N 0 0 286.278 2.825 20 10 CFCDRN C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792173772 629406096 /nfs/dbraw/zinc/40/60/96/629406096.db2.gz CDLHPZMERNMUFA-NXEZZACHSA-N 0 0 286.778 2.709 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1ccccc1 ZINC000792177799 629406519 /nfs/dbraw/zinc/40/65/19/629406519.db2.gz ILQSRZCYCXAKGQ-UHFFFAOYSA-N 0 0 296.370 2.560 20 10 CFCDRN COc1ccc(N2CCN(Cc3cc(C)ccn3)CC2)cc1 ZINC000792197857 629409002 /nfs/dbraw/zinc/40/90/02/629409002.db2.gz AOTHNZUITGJZDK-UHFFFAOYSA-N 0 0 297.402 2.721 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(F)F)c1 ZINC000792237333 629413412 /nfs/dbraw/zinc/41/34/12/629413412.db2.gz BDNHDGYSXVPIQP-QMMMGPOBSA-N 0 0 287.306 2.869 20 10 CFCDRN COc1ccc(CNC(=O)NCCC2CCCC2)c(O)c1 ZINC000792795666 629452557 /nfs/dbraw/zinc/45/25/57/629452557.db2.gz JAPZPBCVIWYFAZ-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792998932 629474666 /nfs/dbraw/zinc/47/46/66/629474666.db2.gz VGWPXRSOSKGOSH-FZMZJTMJSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](C)C2)c1 ZINC000793016638 629476504 /nfs/dbraw/zinc/47/65/04/629476504.db2.gz KPCVJEBOSXIJMU-NEPJUHHUSA-N 0 0 292.379 2.636 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2CCC(C)(C)C2)c(O)c1 ZINC000793032119 629477828 /nfs/dbraw/zinc/47/78/28/629477828.db2.gz SLIANRVGLRKJJM-LBPRGKRZSA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C2CC2)O1 ZINC000793217078 629506707 /nfs/dbraw/zinc/50/67/07/629506707.db2.gz CLAHYJWMRIHKKJ-YVEFUNNKSA-N 0 0 292.398 2.891 20 10 CFCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281416 629519793 /nfs/dbraw/zinc/51/97/93/629519793.db2.gz QJOOPLXRYVJSIY-IAQYHMDHSA-N 0 0 296.386 2.569 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC2(C)C)cc1F ZINC000806019572 629555729 /nfs/dbraw/zinc/55/57/29/629555729.db2.gz AZJRARFAYAQXEC-CQSZACIVSA-N 0 0 293.386 2.880 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793514571 629558601 /nfs/dbraw/zinc/55/86/01/629558601.db2.gz KWIFSJHFWKHYKD-BLLLJJGKSA-N 0 0 292.423 2.738 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)c2c1c(F)ccc2O ZINC000793567598 629572743 /nfs/dbraw/zinc/57/27/43/629572743.db2.gz ZMEYXQFUSPKYFT-CMPLNLGQSA-N 0 0 279.355 2.974 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2[nH]ccc2s1 ZINC000793680940 629585343 /nfs/dbraw/zinc/58/53/43/629585343.db2.gz LYSJAAVTKZCEJU-UHFFFAOYSA-N 0 0 272.329 2.865 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2CCC[C@@H]2C)c(O)c1 ZINC000794378074 629641419 /nfs/dbraw/zinc/64/14/19/629641419.db2.gz OXVDCCDLDBKEOB-RYUDHWBXSA-N 0 0 277.364 2.843 20 10 CFCDRN CCc1ccccc1C(=O)NCc1ccc(OC)cc1O ZINC000794381111 629641977 /nfs/dbraw/zinc/64/19/77/629641977.db2.gz LAAWINZLTMZZSH-UHFFFAOYSA-N 0 0 285.343 2.893 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000794378623 629642005 /nfs/dbraw/zinc/64/20/05/629642005.db2.gz ZXIWHEUBVYEDCU-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN CCC1(C(=O)NCc2ccc(OC)cc2O)CCC1 ZINC000794380075 629642099 /nfs/dbraw/zinc/64/20/99/629642099.db2.gz WDZICZZNBPIDIW-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN COc1ccc(CNC(=O)C=C2CCCC2)c(O)c1 ZINC000794380920 629642114 /nfs/dbraw/zinc/64/21/14/629642114.db2.gz FSXSUUADSYCFLB-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN COc1ccc(CNC(=O)CC2=CCCCC2)c(O)c1 ZINC000794382766 629642250 /nfs/dbraw/zinc/64/22/50/629642250.db2.gz HKXXCHISSUNNGL-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN CCS[C@H](C(=O)NCc1ccc(OC)cc1O)C(C)C ZINC000794383938 629642290 /nfs/dbraw/zinc/64/22/90/629642290.db2.gz UHXWNEIQIZTOIN-AWEZNQCLSA-N 0 0 297.420 2.795 20 10 CFCDRN CCCCCC(=O)NCc1ccc(OC)cc1O ZINC000794381056 629642300 /nfs/dbraw/zinc/64/23/00/629642300.db2.gz IXNNPCDFNJNFSD-UHFFFAOYSA-N 0 0 251.326 2.597 20 10 CFCDRN COc1ccc(CNC(=O)CCc2cccc(C)c2)c(O)c1 ZINC000794379799 629642340 /nfs/dbraw/zinc/64/23/40/629642340.db2.gz WPBFUPGXESVOFD-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(C)c(C)o2)c(O)c1 ZINC000794386789 629642677 /nfs/dbraw/zinc/64/26/77/629642677.db2.gz AMDAFPKPLWWASU-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc(C)c2F)c(O)c1 ZINC000794389618 629642716 /nfs/dbraw/zinc/64/27/16/629642716.db2.gz AVJUHRBROOKXEY-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN Cc1cnc([C@H](C)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000794448901 629648032 /nfs/dbraw/zinc/64/80/32/629648032.db2.gz JJIKYBZBOXIYTD-ZDUSSCGKSA-N 0 0 298.390 2.811 20 10 CFCDRN COc1ccc(CNc2nnc(C(F)F)s2)c(O)c1 ZINC000795284174 629756837 /nfs/dbraw/zinc/75/68/37/629756837.db2.gz JEYNTNPLILGNML-UHFFFAOYSA-N 0 0 287.291 2.802 20 10 CFCDRN COC[C@@H](C)OC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000867125712 629797639 /nfs/dbraw/zinc/79/76/39/629797639.db2.gz MSNQFDDRHGPINT-NEPJUHHUSA-N 0 0 280.368 2.575 20 10 CFCDRN Cc1cc(C)c(O)c(CN2CCOC[C@@H]2CC(F)F)c1 ZINC000795732732 629827582 /nfs/dbraw/zinc/82/75/82/629827582.db2.gz ZRJUGDXOZNGHOA-ZDUSSCGKSA-N 0 0 285.334 2.865 20 10 CFCDRN CNC(=O)Nc1cc(NCc2ccccc2O)ccc1F ZINC000796470362 629922271 /nfs/dbraw/zinc/92/22/71/629922271.db2.gz UVVXTQMKXUAILL-UHFFFAOYSA-N 0 0 289.310 2.895 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796703874 629953148 /nfs/dbraw/zinc/95/31/48/629953148.db2.gz KJBHTCZXUDZYCY-ZWNOBZJWSA-N 0 0 253.317 2.609 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(F)cc1[O-] ZINC000796741575 629958093 /nfs/dbraw/zinc/95/80/93/629958093.db2.gz DPJIIACQWAKLEO-AWEZNQCLSA-N 0 0 268.376 2.912 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000796749516 629959209 /nfs/dbraw/zinc/95/92/09/629959209.db2.gz YNQUNYDVLALNMW-IUODEOHRSA-N 0 0 278.371 2.809 20 10 CFCDRN CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(F)cc1[O-] ZINC000796765416 629962454 /nfs/dbraw/zinc/96/24/54/629962454.db2.gz ZDUVCGNNECSYCV-DZGCQCFKSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(F)cc1[O-] ZINC000796764983 629962482 /nfs/dbraw/zinc/96/24/82/629962482.db2.gz VKXKOVHOXCNWGT-DZGCQCFKSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000796781665 629965120 /nfs/dbraw/zinc/96/51/20/629965120.db2.gz NBPONDDTMVJSBD-GWCFXTLKSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)CCO)c1ccc(F)cc1[O-] ZINC000796781677 629965349 /nfs/dbraw/zinc/96/53/49/629965349.db2.gz NBPONDDTMVJSBD-MFKMUULPSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc(F)cc1[O-] ZINC000796962165 629996200 /nfs/dbraw/zinc/99/62/00/629996200.db2.gz PSLUYLQJPFEIJJ-GXSJLCMTSA-N 0 0 277.286 2.588 20 10 CFCDRN CN(Cc1cnc2ccccn12)c1ccc2c(c1)OCO2 ZINC000121435789 630011159 /nfs/dbraw/zinc/01/11/59/630011159.db2.gz IDYRRKZHZPDVTP-UHFFFAOYSA-N 0 0 281.315 2.699 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000797129619 630022555 /nfs/dbraw/zinc/02/25/55/630022555.db2.gz OKNQHUYIXXZIRN-KWBADKCTSA-N 0 0 263.337 2.628 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797128798 630022793 /nfs/dbraw/zinc/02/27/93/630022793.db2.gz KFJAEVPKFWSDPY-PTRXPTGYSA-N 0 0 250.298 2.750 20 10 CFCDRN CC(C)[C@@H](C(=O)NCc1ccccc1O)c1cccnc1 ZINC000797942158 630128504 /nfs/dbraw/zinc/12/85/04/630128504.db2.gz AKWOGWOEAVOHHL-MRXNPFEDSA-N 0 0 284.359 2.843 20 10 CFCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2C)ccn1C ZINC000798965928 630266298 /nfs/dbraw/zinc/26/62/98/630266298.db2.gz DDSUPFZKMCIJNZ-UHFFFAOYSA-N 0 0 285.391 2.638 20 10 CFCDRN c1ccn(-c2ccc(-c3nc(-c4ccncn4)no3)cc2)c1 ZINC000799187859 630284761 /nfs/dbraw/zinc/28/47/61/630284761.db2.gz FOUZMIULEASPCY-UHFFFAOYSA-N 0 0 289.298 2.984 20 10 CFCDRN COC(=O)CC1(CN2CCCc3cc(OC)ccc32)CC1 ZINC000799294374 630292907 /nfs/dbraw/zinc/29/29/07/630292907.db2.gz BVSHKPZKYRHYJU-UHFFFAOYSA-N 0 0 289.375 2.791 20 10 CFCDRN CCOCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000799370683 630304970 /nfs/dbraw/zinc/30/49/70/630304970.db2.gz TUTNALWDBOXQAN-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN CC1(C)CCC[C@H]1OC(=O)c1cccc(O)c1O ZINC000799507901 630316955 /nfs/dbraw/zinc/31/69/55/630316955.db2.gz VLAXZQZQPYNSIN-LLVKDONJSA-N 0 0 250.294 2.833 20 10 CFCDRN O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCO3)s1 ZINC000799924323 630354012 /nfs/dbraw/zinc/35/40/12/630354012.db2.gz ODBIGOLVNAPQAA-UHFFFAOYSA-N 0 0 296.329 2.974 20 10 CFCDRN C[C@H]1CCN(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000799999980 630360012 /nfs/dbraw/zinc/36/00/12/630360012.db2.gz YZMLXVIEUQZNCE-ZDUSSCGKSA-N 0 0 275.396 2.646 20 10 CFCDRN 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CC[C@H]([NH2+]CC[S@](=O)CC)c1cccc(Cl)c1[O-] ZINC000806138704 630772486 /nfs/dbraw/zinc/77/24/86/630772486.db2.gz AHPJVNPFMVSMEP-KPZWWZAWSA-N 0 0 289.828 2.855 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](F)C2)cc1 ZINC000836243326 630778735 /nfs/dbraw/zinc/77/87/35/630778735.db2.gz WRNGSQLEOFCFCZ-CQSZACIVSA-N 0 0 293.386 2.786 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(F)cc1[O-] ZINC000806170176 630779325 /nfs/dbraw/zinc/77/93/25/630779325.db2.gz WQNXUWMWMVPOMS-BXUZGUMPSA-N 0 0 269.360 2.837 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(F)F ZINC000836510036 630836973 /nfs/dbraw/zinc/83/69/73/630836973.db2.gz BFBGXGRBXKADRH-ZDUSSCGKSA-N 0 0 299.365 2.904 20 10 CFCDRN CC/C=C/CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000836574384 630852432 /nfs/dbraw/zinc/85/24/32/630852432.db2.gz XMNMPQAFGDURCM-SNAWJCMRSA-N 0 0 287.407 2.834 20 10 CFCDRN COc1ccc(CNc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000040906401 649987235 /nfs/dbraw/zinc/98/72/35/649987235.db2.gz UYVAXWSQUFSCSX-UHFFFAOYSA-N 0 0 274.276 2.921 20 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CFCDRN O=C(NCc1ccccc1O)c1cncc(C(F)(F)F)c1 ZINC000809643179 631254840 /nfs/dbraw/zinc/25/48/40/631254840.db2.gz OWULHFZYHPELRB-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccccc1O ZINC000809696748 631267052 /nfs/dbraw/zinc/26/70/52/631267052.db2.gz QBNSIMQKRNYHQV-SKDRFNHKSA-N 0 0 275.270 2.544 20 10 CFCDRN Cc1cc(O)c(CNCc2noc(C3CC3)n2)c(Cl)c1 ZINC000840941181 631272288 /nfs/dbraw/zinc/27/22/88/631272288.db2.gz PWQDSKMNVWBUTG-UHFFFAOYSA-N 0 0 293.754 2.904 20 10 CFCDRN Cc1cnc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000840939370 631272401 /nfs/dbraw/zinc/27/24/01/631272401.db2.gz NGRALBJIJJCLQK-UHFFFAOYSA-N 0 0 259.353 2.647 20 10 CFCDRN CCc1nnc(CNCc2ccc(N(C)C)cc2C)s1 ZINC000840947836 631278056 /nfs/dbraw/zinc/27/80/56/631278056.db2.gz NCCVBIDJRXLNHY-UHFFFAOYSA-N 0 0 290.436 2.765 20 10 CFCDRN COc1cccnc1CNCc1ccc(N(C)C)cc1C ZINC000840952222 631278432 /nfs/dbraw/zinc/27/84/32/631278432.db2.gz WQCGVJZODMQWSA-UHFFFAOYSA-N 0 0 285.391 2.754 20 10 CFCDRN CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000840956461 631283293 /nfs/dbraw/zinc/28/32/93/631283293.db2.gz ZKSWQSXUGIQEHQ-JTQLQIEISA-N 0 0 270.716 2.842 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840963154 631286005 /nfs/dbraw/zinc/28/60/05/631286005.db2.gz LNIKUEJOJVEYOT-ZDUSSCGKSA-N 0 0 293.313 2.536 20 10 CFCDRN CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840998108 631298007 /nfs/dbraw/zinc/29/80/07/631298007.db2.gz HMPHISLNHFHHIZ-WAYWQWQTSA-N 0 0 276.380 2.561 20 10 CFCDRN Cn1nncc1CSc1ncc(-c2ccccc2)n1C ZINC000809951600 631304053 /nfs/dbraw/zinc/30/40/53/631304053.db2.gz FMCKHZFRKGNHDS-UHFFFAOYSA-N 0 0 285.376 2.508 20 10 CFCDRN Cc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000809979668 631308293 /nfs/dbraw/zinc/30/82/93/631308293.db2.gz ARZHUTPMWODPIQ-GHMZBOCLSA-N 0 0 274.368 2.856 20 10 CFCDRN CCc1nn(C)c(Cl)c1CNc1ccc(N)cc1 ZINC000841040356 631317118 /nfs/dbraw/zinc/31/71/18/631317118.db2.gz PVQRWXKJJPSACN-UHFFFAOYSA-N 0 0 264.760 2.830 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ZORLKLNXQPOTCQ-CQSZACIVSA-N 0 0 291.395 2.578 20 10 CFCDRN Nc1ccc(NC(=O)N2CCCc3occc3C2)cc1 ZINC000841299159 631378223 /nfs/dbraw/zinc/37/82/23/631378223.db2.gz HRCOSCCHNFKWEE-UHFFFAOYSA-N 0 0 271.320 2.842 20 10 CFCDRN Nc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC000841301818 631378571 /nfs/dbraw/zinc/37/85/71/631378571.db2.gz DPNBESVQSMZQAH-UHFFFAOYSA-N 0 0 282.347 2.860 20 10 CFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)c1ccccn1 ZINC000841300569 631378657 /nfs/dbraw/zinc/37/86/57/631378657.db2.gz WJVNDWMHUILXJU-UHFFFAOYSA-N 0 0 284.363 2.763 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)OCCCF)c1 ZINC000841492172 631417471 /nfs/dbraw/zinc/41/74/71/631417471.db2.gz DBJQWFCKSLVOKF-SECBINFHSA-N 0 0 271.288 2.548 20 10 CFCDRN COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744697 631463265 /nfs/dbraw/zinc/46/32/65/631463265.db2.gz KBVRCAVFAGDJRJ-UWVGGRQHSA-N 0 0 257.761 2.979 20 10 CFCDRN C[C@@H]([NH2+]CCCn1cccn1)c1ccc(Cl)cc1[O-] ZINC000841744737 631463626 /nfs/dbraw/zinc/46/36/26/631463626.db2.gz SIQQBBGNFNVEHB-LLVKDONJSA-N 0 0 279.771 2.983 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Cl)cc1[O-] ZINC000841750681 631464294 /nfs/dbraw/zinc/46/42/94/631464294.db2.gz ABNREXLBAFLWDL-ZYHUDNBSSA-N 0 0 291.782 2.908 20 10 CFCDRN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841749777 631464349 /nfs/dbraw/zinc/46/43/49/631464349.db2.gz QHOWCGOAKLYRGZ-ZANVPECISA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[S@](C)=O ZINC000841752575 631465277 /nfs/dbraw/zinc/46/52/77/631465277.db2.gz UHDFWSGKJDDLOO-JJQCHNSYSA-N 0 0 289.828 2.853 20 10 CFCDRN CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752254 631465530 /nfs/dbraw/zinc/46/55/30/631465530.db2.gz RUNJDBDJQIADCZ-NSHDSACASA-N 0 0 298.814 2.859 20 10 CFCDRN C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841757647 631467886 /nfs/dbraw/zinc/46/78/86/631467886.db2.gz OGNBKGBUXQFLIN-JTQLQIEISA-N 0 0 269.772 2.859 20 10 CFCDRN CC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757190 631467901 /nfs/dbraw/zinc/46/79/01/631467901.db2.gz FRFSGQVONIBKHI-KOLCDFICSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)CC(=O)[O-] ZINC000841793227 631471495 /nfs/dbraw/zinc/47/14/95/631471495.db2.gz ASDKCSZGAVZMPX-LBPRGKRZSA-N 0 0 265.353 2.594 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000841798207 631472799 /nfs/dbraw/zinc/47/27/99/631472799.db2.gz DYMIPOORUGDJHK-CQSZACIVSA-N 0 0 291.372 2.981 20 10 CFCDRN CC(C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841862956 631482707 /nfs/dbraw/zinc/48/27/07/631482707.db2.gz CUQDLFFFEPQYRJ-LBPRGKRZSA-N 0 0 263.385 2.545 20 10 CFCDRN Nc1ccc(CCNC(=O)NC2(C3CCC3)CCC2)cc1 ZINC000841955823 631495345 /nfs/dbraw/zinc/49/53/45/631495345.db2.gz OSMZKKYHHMJBNS-UHFFFAOYSA-N 0 0 287.407 2.833 20 10 CFCDRN CC1(NC(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000841954879 631495799 /nfs/dbraw/zinc/49/57/99/631495799.db2.gz QBRZJMQLPJMCFJ-UHFFFAOYSA-N 0 0 275.396 2.833 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC(C3CCCC3)C2)cc1 ZINC000841958639 631496650 /nfs/dbraw/zinc/49/66/50/631496650.db2.gz HKSCKZDORWQVPI-UHFFFAOYSA-N 0 0 287.407 2.643 20 10 CFCDRN CCN(Cc1ccoc1)C(=O)NCCc1ccc(N)cc1 ZINC000841958322 631496711 /nfs/dbraw/zinc/49/67/11/631496711.db2.gz ZKDRGXCDCPUSQR-UHFFFAOYSA-N 0 0 287.363 2.636 20 10 CFCDRN CC1(C)CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C1CC1 ZINC000841956292 631496734 /nfs/dbraw/zinc/49/67/34/631496734.db2.gz BBYIRKDASQECIJ-OAHLLOKOSA-N 0 0 287.407 2.641 20 10 CFCDRN O=C1CCN(Cc2cc(F)ccc2O)c2ccccc2N1 ZINC000811508555 631573250 /nfs/dbraw/zinc/57/32/50/631573250.db2.gz WLXWGVQHEOFKED-UHFFFAOYSA-N 0 0 286.306 2.880 20 10 CFCDRN CC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000811905436 631639411 /nfs/dbraw/zinc/63/94/11/631639411.db2.gz DJXJNVUPEZWSIU-DOMZBBRYSA-N 0 0 293.411 2.538 20 10 CFCDRN CO[C@@H](C)c1nsc(NCc2cc(C)ccc2O)n1 ZINC000812345633 631694314 /nfs/dbraw/zinc/69/43/14/631694314.db2.gz HCVQMRAYEUPQAX-VIFPVBQESA-N 0 0 279.365 2.872 20 10 CFCDRN CO[C@@](C)(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000812550522 631732460 /nfs/dbraw/zinc/73/24/60/631732460.db2.gz FQNTWFBVMIISHA-YVEFUNNKSA-N 0 0 290.407 2.745 20 10 CFCDRN CO[C@](C)(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000812550519 631732687 /nfs/dbraw/zinc/73/26/87/631732687.db2.gz FQNTWFBVMIISHA-PXAZEXFGSA-N 0 0 290.407 2.745 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000842776957 631737556 /nfs/dbraw/zinc/73/75/56/631737556.db2.gz VFBOMGNSYZJQAA-CKYFFXLPSA-N 0 0 262.309 2.579 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000842887575 631775193 /nfs/dbraw/zinc/77/51/93/631775193.db2.gz ZLXFYSHVTUJEPT-GWCFXTLKSA-N 0 0 294.370 2.581 20 10 CFCDRN Cc1cc(C(=O)NOC2CCC2)c(C)n1-c1ccccn1 ZINC000812793031 631780255 /nfs/dbraw/zinc/78/02/55/631780255.db2.gz MMQZKDPVOVYALA-UHFFFAOYSA-N 0 0 285.347 2.703 20 10 CFCDRN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000842916697 631781966 /nfs/dbraw/zinc/78/19/66/631781966.db2.gz MSMSQFJAZJCVSX-DMDPSCGWSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000842927833 631784050 /nfs/dbraw/zinc/78/40/50/631784050.db2.gz HNNFTNRALVMXFO-NDMJEZRESA-N 0 0 253.317 2.749 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCCF ZINC000812926537 631807921 /nfs/dbraw/zinc/80/79/21/631807921.db2.gz KCQIOROZJIAJPV-UHFFFAOYSA-N 0 0 281.375 2.610 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ccc(N)nc1 ZINC000843069993 631826961 /nfs/dbraw/zinc/82/69/61/631826961.db2.gz UOPXCXFQJYOUOO-UHFFFAOYSA-N 0 0 269.348 2.625 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3C[C@H]3C3CC3)n2)cc1 ZINC000843160639 631871159 /nfs/dbraw/zinc/87/11/59/631871159.db2.gz LZFFDQLTDVTPKB-QWHCGFSZSA-N 0 0 255.321 2.756 20 10 CFCDRN C[C@@H]1C[C@H](c2noc(Cc3ccc(N)cc3)n2)CCO1 ZINC000843195140 631896402 /nfs/dbraw/zinc/89/64/02/631896402.db2.gz YPCVVTBMXFCMPQ-ZYHUDNBSSA-N 0 0 273.336 2.525 20 10 CFCDRN CCSCCCc1noc(Cc2ccc(N)cc2)n1 ZINC000843226178 631903715 /nfs/dbraw/zinc/90/37/15/631903715.db2.gz VEXYRCDPYNDZTO-UHFFFAOYSA-N 0 0 277.393 2.928 20 10 CFCDRN CC(C)c1nn(C)cc1-c1noc(Cc2ccc(N)cc2)n1 ZINC000843233817 631907848 /nfs/dbraw/zinc/90/78/48/631907848.db2.gz BPCMVKZIPUWHIQ-UHFFFAOYSA-N 0 0 297.362 2.767 20 10 CFCDRN COc1cccc(CN2CCN(C)c3ccccc32)c1O ZINC000156025613 650040887 /nfs/dbraw/zinc/04/08/87/650040887.db2.gz IPMVIHLHHWCVBM-UHFFFAOYSA-N 0 0 284.359 2.857 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000843365035 631939312 /nfs/dbraw/zinc/93/93/12/631939312.db2.gz BOQSQIOXZJAUJX-UHFFFAOYSA-N 0 0 284.363 2.762 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1(F)CCC1 ZINC000813629177 631943819 /nfs/dbraw/zinc/94/38/19/631943819.db2.gz VLYKFDNWCLRTPY-HWKANZROSA-N 0 0 279.311 2.510 20 10 CFCDRN CC[C@H](C)CONC(=O)NCc1ccc(N(C)C)cc1C ZINC000813647040 631945928 /nfs/dbraw/zinc/94/59/28/631945928.db2.gz QQFIHLIIUGLUOF-LBPRGKRZSA-N 0 0 293.411 2.838 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419670 631950326 /nfs/dbraw/zinc/95/03/26/631950326.db2.gz ONVJDYNUFZZUKX-ZDUSSCGKSA-N 0 0 272.323 2.916 20 10 CFCDRN CNC(=O)Oc1cccc(NCc2ccccc2O)c1 ZINC000813790535 631960330 /nfs/dbraw/zinc/96/03/30/631960330.db2.gz VSJRJEHLPSYLRM-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN CC[C@@H](C)CONC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000813825828 631963279 /nfs/dbraw/zinc/96/32/79/631963279.db2.gz LNQPYXJTJDKOBW-MNOVXSKESA-N 0 0 296.367 2.739 20 10 CFCDRN C[C@H]1CC2(CCC2)CN1C(=O)Cc1ccc(N)cc1 ZINC000843513647 631971882 /nfs/dbraw/zinc/97/18/82/631971882.db2.gz KWTXOGYMNVEPBM-LBPRGKRZSA-N 0 0 258.365 2.602 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CCC1 ZINC000840306693 631982398 /nfs/dbraw/zinc/98/23/98/631982398.db2.gz UOTNUJMNNUPETH-CYBMUJFWSA-N 0 0 289.423 2.844 20 10 CFCDRN Cc1cc(Cl)cc(CN(C)[C@H]2CC(C)(C)OC2=O)c1O ZINC000814179742 632024539 /nfs/dbraw/zinc/02/45/39/632024539.db2.gz XYBBFVZZZIZNBU-LBPRGKRZSA-N 0 0 297.782 2.880 20 10 CFCDRN Cc1cc(O)c(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1C ZINC000814179914 632026442 /nfs/dbraw/zinc/02/64/42/632026442.db2.gz JGYIXZUDPGMBQJ-CYBMUJFWSA-N 0 0 277.364 2.535 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000843831113 632063738 /nfs/dbraw/zinc/06/37/38/632063738.db2.gz MEHGZKNMALBONQ-KGLIPLIRSA-N 0 0 289.375 2.930 20 10 CFCDRN O=C(NCC1CCC(F)CC1)C1=CC(=O)CS1 ZINC000844154110 632127942 /nfs/dbraw/zinc/12/79/42/632127942.db2.gz SXLITUKUOBLQDX-UHFFFAOYSA-N 0 0 257.330 2.712 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C2([C@@H](C)C(=O)[O-])CC2)cc1 ZINC000844289393 632157879 /nfs/dbraw/zinc/15/78/79/632157879.db2.gz CJAJDZSHLNWQAN-ZDUSSCGKSA-N 0 0 290.407 2.876 20 10 CFCDRN COc1ccc(N(C)Cc2cc3n(n2)CCC3)cc1F ZINC000844304700 632162668 /nfs/dbraw/zinc/16/26/68/632162668.db2.gz VWPQWHDDXWHXMB-UHFFFAOYSA-N 0 0 275.327 2.613 20 10 CFCDRN COc1ccc(N(C)CCn2nc(C)cc2C)cc1 ZINC000844355403 632178038 /nfs/dbraw/zinc/17/80/38/632178038.db2.gz QXLJRINWVBIVPF-UHFFFAOYSA-N 0 0 259.353 2.645 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC000815092076 632199038 /nfs/dbraw/zinc/19/90/38/632199038.db2.gz WOWHOZXDXNRLCP-UHFFFAOYSA-N 0 0 284.407 2.582 20 10 CFCDRN Cc1nnc([C@H](C)NCc2ccc(N(C)C)c(C)c2)o1 ZINC000815091808 632199125 /nfs/dbraw/zinc/19/91/25/632199125.db2.gz YSKWHCPGRDSLBU-NSHDSACASA-N 0 0 274.368 2.603 20 10 CFCDRN CCC(CC)(NCc1ccc(N(C)C)c(C)c1)C(=O)OC ZINC000815091642 632199225 /nfs/dbraw/zinc/19/92/25/632199225.db2.gz WMNDRDMWEWTAIC-UHFFFAOYSA-N 0 0 292.423 2.882 20 10 CFCDRN Cc1ccc(C(=O)O[C@@H]2CC[C@@H](C)C2)c(O)c1O ZINC000815199005 632227760 /nfs/dbraw/zinc/22/77/60/632227760.db2.gz CUVUBLGFDNGJBM-PSASIEDQSA-N 0 0 250.294 2.752 20 10 CFCDRN COC1(CCOC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000815222107 632233088 /nfs/dbraw/zinc/23/30/88/632233088.db2.gz MMROKOFUGZTWRT-GQCTYLIASA-N 0 0 292.331 2.613 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576473 632291452 /nfs/dbraw/zinc/29/14/52/632291452.db2.gz QXNVBIBAZZATTQ-UWVGGRQHSA-N 0 0 288.313 2.766 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1c(C)cc(C)cc1O ZINC000815619137 632299585 /nfs/dbraw/zinc/29/95/85/632299585.db2.gz DMVRLACGRZZANY-NSHDSACASA-N 0 0 275.352 2.924 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000815645955 632303982 /nfs/dbraw/zinc/30/39/82/632303982.db2.gz VRRWGANJHLWYNS-ZJUUUORDSA-N 0 0 269.316 2.578 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000815645953 632304436 /nfs/dbraw/zinc/30/44/36/632304436.db2.gz VRRWGANJHLWYNS-UWVGGRQHSA-N 0 0 269.316 2.578 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC23CCCC3)cc1 ZINC000844774208 632304884 /nfs/dbraw/zinc/30/48/84/632304884.db2.gz STFWQTOVLZGKMZ-UHFFFAOYSA-N 0 0 287.407 2.981 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)c[nH]1 ZINC000815797329 632321991 /nfs/dbraw/zinc/32/19/91/632321991.db2.gz LPQWAVLJACTJBK-UHFFFAOYSA-N 0 0 276.311 2.912 20 10 CFCDRN Cc1c(C(=O)NCc2ccc(O)c(O)c2)ccn1C(C)C ZINC000815835965 632325444 /nfs/dbraw/zinc/32/54/44/632325444.db2.gz KUYNKLUVHSCMPJ-UHFFFAOYSA-N 0 0 288.347 2.719 20 10 CFCDRN COc1cccc2c1[C@H](C(=O)NCc1ccccc1O)CC2 ZINC000815833689 632325484 /nfs/dbraw/zinc/32/54/84/632325484.db2.gz ZKCSZGBAJWWRRV-CQSZACIVSA-N 0 0 297.354 2.747 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000815835509 632325522 /nfs/dbraw/zinc/32/55/22/632325522.db2.gz VZNNVDMHGBKEDG-KOHJWAIASA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC2CC3(CCC3)C2)c1 ZINC000844971809 632348608 /nfs/dbraw/zinc/34/86/08/632348608.db2.gz AZLKEQFIUDJESW-UHFFFAOYSA-N 0 0 290.363 2.533 20 10 CFCDRN OC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816478181 632467083 /nfs/dbraw/zinc/46/70/83/632467083.db2.gz WXVGEYLBSNHSSI-CYBMUJFWSA-N 0 0 271.360 2.750 20 10 CFCDRN CCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480147 632467467 /nfs/dbraw/zinc/46/74/67/632467467.db2.gz DVBYAILCVUVORD-UHFFFAOYSA-N 0 0 270.376 2.683 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccccn1 ZINC000816528908 632479147 /nfs/dbraw/zinc/47/91/47/632479147.db2.gz XEILRTODYGNUBJ-UHFFFAOYSA-N 0 0 280.730 2.912 20 10 CFCDRN CCC(O)(CC)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816543512 632480169 /nfs/dbraw/zinc/48/01/69/632480169.db2.gz DIHAPZBQJZWIFY-UHFFFAOYSA-N 0 0 275.751 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000816574729 632487473 /nfs/dbraw/zinc/48/74/73/632487473.db2.gz PZGZOVYISDSCCG-SNVBAGLBSA-N 0 0 273.735 2.532 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000816600195 632492905 /nfs/dbraw/zinc/49/29/05/632492905.db2.gz ONFCJXNCYOSVTE-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816660953 632507513 /nfs/dbraw/zinc/50/75/13/632507513.db2.gz WAVRVFVWALVBGW-XPTSAGLGSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816665391 632508369 /nfs/dbraw/zinc/50/83/69/632508369.db2.gz FQMIAAGLFOPGSX-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2ncccc2F)cc1 ZINC000845673088 632514499 /nfs/dbraw/zinc/51/44/99/632514499.db2.gz PMTDSHVBGQIAHS-UHFFFAOYSA-N 0 0 289.354 2.802 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccon1 ZINC000816914403 632534436 /nfs/dbraw/zinc/53/44/36/632534436.db2.gz PLRZWLNRMDZLQV-UHFFFAOYSA-N 0 0 288.347 2.752 20 10 CFCDRN CSCC1(CC(=O)NCc2ccccc2O)CC1 ZINC000845834335 632577354 /nfs/dbraw/zinc/57/73/54/632577354.db2.gz SPLQCOUPGDQBGZ-UHFFFAOYSA-N 0 0 265.378 2.542 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000845930528 632599628 /nfs/dbraw/zinc/59/96/28/632599628.db2.gz LZRWZXCHYBLMQI-OBJOEFQTSA-N 0 0 291.391 2.971 20 10 CFCDRN CC(C)n1cc(/C=C2/c3cccc4c3N(CCC4)C2=O)nn1 ZINC000817347018 632610507 /nfs/dbraw/zinc/61/05/07/632610507.db2.gz YCPWNMBUIWSGDM-DHDCSXOGSA-N 0 0 294.358 2.692 20 10 CFCDRN COc1ccc(N(C)Cc2cnc([C@@H](C)O)s2)cc1 ZINC000845998016 632610975 /nfs/dbraw/zinc/61/09/75/632610975.db2.gz IPVKYFHRKRCFEP-SNVBAGLBSA-N 0 0 278.377 2.841 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC12CC2 ZINC000817457687 632641260 /nfs/dbraw/zinc/64/12/60/632641260.db2.gz RDYZUODVTKHBPJ-CJNGLKHVSA-N 0 0 286.419 2.908 20 10 CFCDRN CCc1nn(C)cc1N[C@@H](C)c1cccc(OC)c1O ZINC000846158675 632649588 /nfs/dbraw/zinc/64/95/88/632649588.db2.gz COHDNNPSWACUCV-JTQLQIEISA-N 0 0 275.352 2.870 20 10 CFCDRN Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])ccc1N1CCCCC1 ZINC000846224212 632668421 /nfs/dbraw/zinc/66/84/21/632668421.db2.gz HCFKXZRGVWPSBK-AWEZNQCLSA-N 0 0 290.407 2.890 20 10 CFCDRN CC(C)COCCC(=O)NCc1cc(Cl)ccc1O ZINC000846473579 632715100 /nfs/dbraw/zinc/71/51/00/632715100.db2.gz UFVOWXPWTLXJIQ-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN CCCn1cc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846474040 632715169 /nfs/dbraw/zinc/71/51/69/632715169.db2.gz RFCGNGNOJCQFMB-UHFFFAOYSA-N 0 0 293.754 2.582 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1c[nH]nc1C1CC1 ZINC000846472779 632715425 /nfs/dbraw/zinc/71/54/25/632715425.db2.gz FKLUKOUORCSDPL-UHFFFAOYSA-N 0 0 291.738 2.576 20 10 CFCDRN CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473554 632715495 /nfs/dbraw/zinc/71/54/95/632715495.db2.gz UBKVQNXCFXLJCF-CYBMUJFWSA-N 0 0 296.798 2.536 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1conc1C1CC1 ZINC000846474577 632716041 /nfs/dbraw/zinc/71/60/41/632716041.db2.gz VMCQONGJVUFVIA-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)n1cccn1 ZINC000846475277 632716471 /nfs/dbraw/zinc/71/64/71/632716471.db2.gz BLMZTHGPDXIRBI-SNVBAGLBSA-N 0 0 293.754 2.510 20 10 CFCDRN COC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476375 632717215 /nfs/dbraw/zinc/71/72/15/632717215.db2.gz KVHAWAUZILISJA-NXEZZACHSA-N 0 0 285.771 2.580 20 10 CFCDRN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817914870 632732298 /nfs/dbraw/zinc/73/22/98/632732298.db2.gz AQUYUOXITKYAAH-UHFFFAOYSA-N 0 0 287.388 2.551 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CC2(CCC2)C1 ZINC000846607910 632757509 /nfs/dbraw/zinc/75/75/09/632757509.db2.gz SLGVOGDPNJMLBI-HWKANZROSA-N 0 0 273.332 2.560 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1cccc(Cl)c1[O-] ZINC000817960084 632757932 /nfs/dbraw/zinc/75/79/32/632757932.db2.gz KKMXYUWTJJXHSG-OLZOCXBDSA-N 0 0 268.788 2.824 20 10 CFCDRN C[C@H](CN)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966359 632765605 /nfs/dbraw/zinc/76/56/05/632765605.db2.gz MCJOHYATTXIPHM-RQJHMYQMSA-N 0 0 263.168 2.697 20 10 CFCDRN CS[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000846660408 632766658 /nfs/dbraw/zinc/76/66/58/632766658.db2.gz WDVASZQVXZGUNC-NXEZZACHSA-N 0 0 271.407 2.858 20 10 CFCDRN CSCC1(CC(=O)Nc2ccc(N)cc2)CC1 ZINC000846662149 632767528 /nfs/dbraw/zinc/76/75/28/632767528.db2.gz LCZGURPSNWEQJJ-UHFFFAOYSA-N 0 0 250.367 2.741 20 10 CFCDRN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(N)cc1)CCO2 ZINC000846695700 632776633 /nfs/dbraw/zinc/77/66/33/632776633.db2.gz FRZLBRFJTOGQOJ-UHFFFAOYSA-N 0 0 296.370 2.854 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C(C)=O)no2)cc1OC ZINC000846783356 632797400 /nfs/dbraw/zinc/79/74/00/632797400.db2.gz OLJCCWIMWOUPTA-UHFFFAOYSA-N 0 0 290.319 2.531 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2CN(CC)C(=O)O2)cc1 ZINC000846823669 632811023 /nfs/dbraw/zinc/81/10/23/632811023.db2.gz VIVQXJONHNLFSP-OAHLLOKOSA-N 0 0 292.379 2.752 20 10 CFCDRN Nc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc1 ZINC000818556305 632865495 /nfs/dbraw/zinc/86/54/95/632865495.db2.gz KFXOSFSSMGWQKA-LBPRGKRZSA-N 0 0 289.360 2.829 20 10 CFCDRN CCOC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846995130 632874305 /nfs/dbraw/zinc/87/43/05/632874305.db2.gz XPLMBGILTOYYMN-UHFFFAOYSA-N 0 0 276.361 2.809 20 10 CFCDRN CCOc1ccc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c(O)c1 ZINC000818630652 632884683 /nfs/dbraw/zinc/88/46/83/632884683.db2.gz VVAMWMSHOVYUSV-ZDUSSCGKSA-N 0 0 295.379 2.627 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1O ZINC000818630447 632885159 /nfs/dbraw/zinc/88/51/59/632885159.db2.gz FPSUQHGRCHGFAJ-ZDUSSCGKSA-N 0 0 265.353 2.537 20 10 CFCDRN CCO/C=C\C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000847398700 632982848 /nfs/dbraw/zinc/98/28/48/632982848.db2.gz IBZNYHZJUDNXFJ-QXMHVHEDSA-N 0 0 276.380 2.651 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000819396743 633147636 /nfs/dbraw/zinc/14/76/36/633147636.db2.gz AOXUIUFLCHVSSU-YPMHNXCESA-N 0 0 277.364 2.583 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)COCC(C)C ZINC000819399781 633148453 /nfs/dbraw/zinc/14/84/53/633148453.db2.gz XNPHQZMIXVAXEZ-CQSZACIVSA-N 0 0 281.396 2.921 20 10 CFCDRN CCOCC[C@H](O)CNc1ccccc1OCC1CC1 ZINC000819451205 633165547 /nfs/dbraw/zinc/16/55/47/633165547.db2.gz LYHULEVSPIYVMZ-AWEZNQCLSA-N 0 0 279.380 2.675 20 10 CFCDRN CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000848292151 633235314 /nfs/dbraw/zinc/23/53/14/633235314.db2.gz WEXJDKFEMPSWGZ-VURMDHGXSA-N 0 0 263.337 2.758 20 10 CFCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 ZINC000848595048 633297854 /nfs/dbraw/zinc/29/78/54/633297854.db2.gz RPIDYOYRKHYVIA-KGLIPLIRSA-N 0 0 277.368 2.738 20 10 CFCDRN CCc1cccc(CN2CCNC(=O)c3ccccc32)c1O ZINC000848912280 633396317 /nfs/dbraw/zinc/39/63/17/633396317.db2.gz DBAOBKDTIRFULE-UHFFFAOYSA-N 0 0 296.370 2.705 20 10 CFCDRN CCCCN1CC(=O)N[C@H]1c1cc(Cl)c(C)cc1O ZINC000849183296 633580272 /nfs/dbraw/zinc/58/02/72/633580272.db2.gz RBZCNZMUJIWJCW-CQSZACIVSA-N 0 0 282.771 2.585 20 10 CFCDRN Cc1cc(O)c(CNc2nnc(C3CC3)n2C)cc1C ZINC000849347185 633625105 /nfs/dbraw/zinc/62/51/05/633625105.db2.gz VTFWZBGVEDMVTM-UHFFFAOYSA-N 0 0 272.352 2.627 20 10 CFCDRN CC(C)OC[C@@H](O)CSc1ncc(Cl)s1 ZINC000850000291 633786491 /nfs/dbraw/zinc/78/64/91/633786491.db2.gz PLEJBBOVSVNUHI-SSDOTTSWSA-N 0 0 267.803 2.675 20 10 CFCDRN CC(C)N1CC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850000458 633786544 /nfs/dbraw/zinc/78/65/44/633786544.db2.gz VTKYDQGEBMCOBU-SSDOTTSWSA-N 0 0 276.814 2.898 20 10 CFCDRN O=S1(=O)CCC[C@H](CSc2ncc(Cl)s2)C1 ZINC000850000195 633786606 /nfs/dbraw/zinc/78/66/06/633786606.db2.gz LYSAXQRUKBHKDK-SSDOTTSWSA-N 0 0 297.854 2.713 20 10 CFCDRN COCCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000850208805 633892764 /nfs/dbraw/zinc/89/27/64/633892764.db2.gz CSOQJRLPMWITLW-UHFFFAOYSA-N 0 0 275.352 2.664 20 10 CFCDRN C[C@H](NCc1cn(C2CCC2)nn1)c1ccc(N(C)C)cc1 ZINC000850252138 633912964 /nfs/dbraw/zinc/91/29/64/633912964.db2.gz MNVZZJKTWNZFCI-ZDUSSCGKSA-N 0 0 299.422 2.920 20 10 CFCDRN CCCN(C)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850409798 633981821 /nfs/dbraw/zinc/98/18/21/633981821.db2.gz GVIVVDJYYKKIMT-UHFFFAOYSA-N 0 0 295.383 2.510 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(F)cc1[O-] ZINC000850490205 634015677 /nfs/dbraw/zinc/01/56/77/634015677.db2.gz WXWRXPRFMALSHJ-ZIAGYGMSSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000850520337 634028505 /nfs/dbraw/zinc/02/85/05/634028505.db2.gz ADGJUBPGUNQJJE-AAEUAGOBSA-N 0 0 289.297 2.996 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1cccc(Cl)c1[O-] ZINC000850522077 634030368 /nfs/dbraw/zinc/03/03/68/634030368.db2.gz AUUHYGSBNQZRJR-CYBMUJFWSA-N 0 0 294.786 2.898 20 10 CFCDRN COc1ccnc(CN[C@@H](C)c2cc(F)ccc2O)c1F ZINC000850536774 634042067 /nfs/dbraw/zinc/04/20/67/634042067.db2.gz JTKLNXRZEZTEGI-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CC=CC1 ZINC000858242735 636161890 /nfs/dbraw/zinc/16/18/90/636161890.db2.gz OORZJNHIIJURHQ-UHFFFAOYSA-N 0 0 297.402 2.828 20 10 CFCDRN CC1(C)[C@H](CNC(=O)Nc2ccc(N)cc2)C1(F)F ZINC000850749896 634078292 /nfs/dbraw/zinc/07/82/92/634078292.db2.gz GGXFQEPJQWFXSF-JTQLQIEISA-N 0 0 269.295 2.682 20 10 CFCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1ccncc1 ZINC000852872568 634852562 /nfs/dbraw/zinc/85/25/62/634852562.db2.gz HSHKRFGRTKWKLN-QGZVFWFLSA-N 0 0 295.386 2.816 20 10 CFCDRN CC[C@H]([NH2+]CCOCCF)c1ccc(F)cc1[O-] ZINC000853238742 634947868 /nfs/dbraw/zinc/94/78/68/634947868.db2.gz PNIBIXQCYWBLJK-LBPRGKRZSA-N 0 0 259.296 2.558 20 10 CFCDRN Cc1nnc(CN(C)Cc2cc(C)cc(C)c2O)s1 ZINC000853617574 635047897 /nfs/dbraw/zinc/04/78/97/635047897.db2.gz FUXLMLTYCYOLQD-UHFFFAOYSA-N 0 0 277.393 2.801 20 10 CFCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000853649964 635060493 /nfs/dbraw/zinc/06/04/93/635060493.db2.gz IJEHSIZNDKMZNB-OJTYSEKASA-N 0 0 290.319 2.626 20 10 CFCDRN CCCn1ncnc1COc1ccc(N2CCCC2)cc1 ZINC000853675128 635070583 /nfs/dbraw/zinc/07/05/83/635070583.db2.gz NQNXXKFUSFPCLN-UHFFFAOYSA-N 0 0 286.379 2.867 20 10 CFCDRN FC(F)OCCOc1ccc(N2CCCC2)cc1 ZINC000853675508 635070742 /nfs/dbraw/zinc/07/07/42/635070742.db2.gz UHHNOALZHLEZSW-UHFFFAOYSA-N 0 0 257.280 2.905 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H]3CCCC[C@@H]32)cc1OC ZINC000853720380 635084194 /nfs/dbraw/zinc/08/41/94/635084194.db2.gz YFHZNPAYNSBSQW-QWRGUYRKSA-N 0 0 292.335 2.991 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@@H]1C=CCC1 ZINC000853856347 635134565 /nfs/dbraw/zinc/13/45/65/635134565.db2.gz XYMNLONYCAKRCT-SNVBAGLBSA-N 0 0 283.422 2.643 20 10 CFCDRN Cc1nc(Sc2ncc(Cl)s2)nc(N(C)C)n1 ZINC000853964201 635180382 /nfs/dbraw/zinc/18/03/82/635180382.db2.gz IILAKCNNTAVMLW-UHFFFAOYSA-N 0 0 287.801 2.507 20 10 CFCDRN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)c1O ZINC000854245896 635271392 /nfs/dbraw/zinc/27/13/92/635271392.db2.gz GEOVNOGXSDRZOA-CYBMUJFWSA-N 0 0 297.782 2.945 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000112384161 635345271 /nfs/dbraw/zinc/34/52/71/635345271.db2.gz PYPSGFYNFSDUJV-GFCCVEGCSA-N 0 0 277.412 2.986 20 10 CFCDRN C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCCO1 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20 10 CFCDRN Oc1ccc(CNc2ncnc3ccccc32)cc1O ZINC000119648391 637790779 /nfs/dbraw/zinc/79/07/79/637790779.db2.gz NLRFRYVGPFUSFP-UHFFFAOYSA-N 0 0 267.288 2.653 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CCCC2(CC2)CC1 ZINC000863943501 637818386 /nfs/dbraw/zinc/81/83/86/637818386.db2.gz DUDNKTXQNIKRFJ-UHFFFAOYSA-N 0 0 279.311 2.643 20 10 CFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000189430192 650380730 /nfs/dbraw/zinc/38/07/30/650380730.db2.gz FWEWCMQIANTXJJ-UHFFFAOYSA-N 0 0 295.335 2.895 20 10 CFCDRN O=[N+]([O-])c1cnc(Sc2cccc(O)c2)s1 ZINC000189691208 650394144 /nfs/dbraw/zinc/39/41/44/650394144.db2.gz IQGKBPLLNGVWKM-UHFFFAOYSA-N 0 0 254.292 2.908 20 10 CFCDRN CC(C)CNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269685 638249493 /nfs/dbraw/zinc/24/94/93/638249493.db2.gz WWNZSSXWJHJIDJ-JTQLQIEISA-N 0 0 252.383 2.573 20 10 CFCDRN CC(C)CNC(=S)N[C@H](C)c1ccccc1O ZINC000865269686 638249643 /nfs/dbraw/zinc/24/96/43/638249643.db2.gz WWNZSSXWJHJIDJ-SNVBAGLBSA-N 0 0 252.383 2.573 20 10 CFCDRN CN(C)c1cc(F)c(CNc2nnc(C3CC3)o2)cc1F ZINC000865290440 638259097 /nfs/dbraw/zinc/25/90/97/638259097.db2.gz ZHAHKQGBYMWNAG-UHFFFAOYSA-N 0 0 294.305 2.903 20 10 CFCDRN COC(=O)c1cc(OCc2cscn2)ccc1N(C)C ZINC000865395966 638306068 /nfs/dbraw/zinc/30/60/68/638306068.db2.gz GYNRVDLLRRKYOI-UHFFFAOYSA-N 0 0 292.360 2.575 20 10 CFCDRN COc1ccc(O)c([C@@H]2Nc3cccc(C)c3C(=O)N2)c1 ZINC000077429563 650424245 /nfs/dbraw/zinc/42/42/45/650424245.db2.gz SPZIXRPFEQHMMA-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccnn1C ZINC000865839460 638605327 /nfs/dbraw/zinc/60/53/27/638605327.db2.gz XFFOZGYPTQQDCQ-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CC(=O)c1nc(N2Cc3cccc(O)c3C2)sc1C ZINC000866118087 638746134 /nfs/dbraw/zinc/74/61/34/638746134.db2.gz WIOBSWYGSQMCOG-UHFFFAOYSA-N 0 0 274.345 2.880 20 10 CFCDRN CCCc1nsc(N2Cc3cccc(O)c3C2)n1 ZINC000866118039 638746672 /nfs/dbraw/zinc/74/66/72/638746672.db2.gz VKADQELVGSRWHT-UHFFFAOYSA-N 0 0 261.350 2.716 20 10 CFCDRN CCc1cc(N[C@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236718 638776800 /nfs/dbraw/zinc/77/68/00/638776800.db2.gz CJJGJTVQSHOIDW-SNVBAGLBSA-N 0 0 283.335 2.565 20 10 CFCDRN COCCc1nsc(N[C@H](C)c2ccccc2O)n1 ZINC000866239579 638777337 /nfs/dbraw/zinc/77/73/37/638777337.db2.gz VPMUUKONYNHDNH-SECBINFHSA-N 0 0 279.365 2.606 20 10 CFCDRN Oc1ccccc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000866253658 638780899 /nfs/dbraw/zinc/78/08/99/638780899.db2.gz LYIGEEXARRBSFJ-CJNGLKHVSA-N 0 0 273.307 2.954 20 10 CFCDRN CN(C)c1ccc(CNC(=O)OCCC(F)(F)F)cc1 ZINC000866424215 638818982 /nfs/dbraw/zinc/81/89/82/638818982.db2.gz GSSHAQZAPRCVCW-UHFFFAOYSA-N 0 0 290.285 2.931 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866442827 638821881 /nfs/dbraw/zinc/82/18/81/638821881.db2.gz CGFYGBDYXVVJCZ-QYTUQVAYSA-N 0 0 280.324 2.517 20 10 CFCDRN CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000866488539 638829489 /nfs/dbraw/zinc/82/94/89/638829489.db2.gz QMBPOKXPRLWCPS-FXPVBKGRSA-N 0 0 282.365 2.845 20 10 CFCDRN Cc1cccc(CO[C@@H](C)C(=O)NCc2ccccc2O)c1 ZINC000866755514 638874075 /nfs/dbraw/zinc/87/40/75/638874075.db2.gz KQUBCYHVQDJWAL-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN CCCc1noc(CN(C)c2ccc(OC)c(F)c2)n1 ZINC000121792865 638894953 /nfs/dbraw/zinc/89/49/53/638894953.db2.gz BLXJIRKNPXCUSL-UHFFFAOYSA-N 0 0 279.315 2.806 20 10 CFCDRN C[C@H](NS(=O)(=O)CCC1CCCC1)c1ccccc1O ZINC000867836087 638900508 /nfs/dbraw/zinc/90/05/08/638900508.db2.gz DPCBVVSYECWCSD-LBPRGKRZSA-N 0 0 297.420 2.953 20 10 CFCDRN CCC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834567 638900680 /nfs/dbraw/zinc/90/06/80/638900680.db2.gz QUGYJXDJHZJSQS-NWDGAFQWSA-N 0 0 285.409 2.809 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCC23CCOCC3)cc1 ZINC000868163353 638926771 /nfs/dbraw/zinc/92/67/71/638926771.db2.gz OAAPBNQQHZJUHC-GFCCVEGCSA-N 0 0 289.379 2.597 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCCS1)c1ccccc1O ZINC000868389958 638941594 /nfs/dbraw/zinc/94/15/94/638941594.db2.gz FBIOTOFOVOOROC-GHMZBOCLSA-N 0 0 280.393 2.648 20 10 CFCDRN C[C@H](NC(=O)NCCC1CCC1)c1ccccc1O ZINC000868385950 638941658 /nfs/dbraw/zinc/94/16/58/638941658.db2.gz BDQOFWABHGKJLN-NSHDSACASA-N 0 0 262.353 2.943 20 10 CFCDRN C[C@@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868399292 638942768 /nfs/dbraw/zinc/94/27/68/638942768.db2.gz CSGBJPCTBCMJQD-RWMBFGLXSA-N 0 0 292.379 2.568 20 10 CFCDRN COCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868423071 638944222 /nfs/dbraw/zinc/94/42/22/638944222.db2.gz YCUGJWLBKLNYAC-GFCCVEGCSA-N 0 0 292.379 2.569 20 10 CFCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000868441619 638945801 /nfs/dbraw/zinc/94/58/01/638945801.db2.gz YCGQTPJMTFUXTB-UXIGCNINSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@H](NC(=O)NC1Cc2ccccc2C1)c1ccccc1O ZINC000868501914 638950802 /nfs/dbraw/zinc/95/08/02/638950802.db2.gz TVHPLHAHHSDGKC-LBPRGKRZSA-N 0 0 296.370 2.920 20 10 CFCDRN C[C@H](NC(=O)NCCOCC1CCC1)c1ccccc1O ZINC000868502378 638950828 /nfs/dbraw/zinc/95/08/28/638950828.db2.gz FLPGJCYFVLWHIV-LBPRGKRZSA-N 0 0 292.379 2.569 20 10 CFCDRN CCOC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868531767 638953719 /nfs/dbraw/zinc/95/37/19/638953719.db2.gz BMMGLDKWQRZQTN-TZMCWYRMSA-N 0 0 294.395 2.814 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CCC1(C)C)c1ccccc1O ZINC000868610131 638961632 /nfs/dbraw/zinc/96/16/32/638961632.db2.gz BPMLRYDOUNTMMF-ZWNOBZJWSA-N 0 0 262.353 2.941 20 10 CFCDRN CCC(CC)(CNC(=O)N[C@H](C)c1ccccc1O)OC ZINC000868642203 638964525 /nfs/dbraw/zinc/96/45/25/638964525.db2.gz LXCSMLYLJALNHW-GFCCVEGCSA-N 0 0 294.395 2.958 20 10 CFCDRN C[C@H](F)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868650496 638965299 /nfs/dbraw/zinc/96/52/99/638965299.db2.gz KRWGGHRRTNYUBD-UWVGGRQHSA-N 0 0 254.305 2.501 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000868696708 638970106 /nfs/dbraw/zinc/97/01/06/638970106.db2.gz FIBCGBVFPPGBOO-MHDGFBEUSA-N 0 0 274.364 2.941 20 10 CFCDRN C[C@H](NC(=O)NCCCc1ccco1)c1ccccc1O ZINC000868788544 638979700 /nfs/dbraw/zinc/97/97/00/638979700.db2.gz OKNLHMAYCXSQJH-LBPRGKRZSA-N 0 0 288.347 2.978 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCS2)c1 ZINC000868973754 638998470 /nfs/dbraw/zinc/99/84/70/638998470.db2.gz YLBNIQAVDJOSFO-ZDUSSCGKSA-N 0 0 294.420 2.786 20 10 CFCDRN C[C@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122516047 639132038 /nfs/dbraw/zinc/13/20/38/639132038.db2.gz OZGWAPDMWRZWDG-CYBMUJFWSA-N 0 0 299.370 2.635 20 10 CFCDRN CN(C[C@@H](O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000190966845 650472688 /nfs/dbraw/zinc/47/26/88/650472688.db2.gz WLEJSCMCOFXRPF-CQSZACIVSA-N 0 0 277.364 2.793 20 10 CFCDRN C[C@H]1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122520655 639181343 /nfs/dbraw/zinc/18/13/43/639181343.db2.gz PBVZVTDMLBEYSU-AAEUAGOBSA-N 0 0 277.364 2.583 20 10 CFCDRN CC(C)(C)OC(=O)[C@H](OC(=O)C1=CC(=O)CS1)C1CC1 ZINC000869391279 639208266 /nfs/dbraw/zinc/20/82/66/639208266.db2.gz AEOSADURYYSYSL-LLVKDONJSA-N 0 0 298.360 2.731 20 10 CFCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000078316743 650489154 /nfs/dbraw/zinc/48/91/54/650489154.db2.gz UVXYCWVZMJRPAO-UHFFFAOYSA-N 0 0 286.331 2.770 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(CCF)CC2)c(O)c1O ZINC000870277472 639576571 /nfs/dbraw/zinc/57/65/71/639576571.db2.gz GDONRRRDPYOYOC-UHFFFAOYSA-N 0 0 281.327 2.618 20 10 CFCDRN Oc1ccccc1CN(Cc1ccco1)Cc1ncccn1 ZINC000192102142 650539124 /nfs/dbraw/zinc/53/91/24/650539124.db2.gz UKQZOSGWWJSCLQ-UHFFFAOYSA-N 0 0 295.342 2.978 20 10 CFCDRN CCSCCSc1ncc([N+](=O)[O-])s1 ZINC000192530520 650570201 /nfs/dbraw/zinc/57/02/01/650570201.db2.gz IPINULZTJPGSMY-UHFFFAOYSA-N 0 0 250.370 2.897 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCC2)cc1 ZINC000079366828 650585043 /nfs/dbraw/zinc/58/50/43/650585043.db2.gz JQUBWSIFUYLKGR-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2CCOCC2)cc1 ZINC000079390855 650588243 /nfs/dbraw/zinc/58/82/43/650588243.db2.gz AOKQZMRGNJOWCR-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN Cc1ccccc1NC1=NC(=O)C(=Cc2ccnn2C)S1 ZINC000192981099 650614010 /nfs/dbraw/zinc/61/40/10/650614010.db2.gz LLRADKLGJIJWEX-LCYFTJDESA-N 0 0 298.371 2.811 20 10 CFCDRN C[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O ZINC000193127170 650625583 /nfs/dbraw/zinc/62/55/83/650625583.db2.gz MQOPOMPIHPGXAU-NSHDSACASA-N 0 0 283.327 2.857 20 10 CFCDRN O=C(c1ccc(NC2CC2)nc1)N1Cc2cccc(O)c2C1 ZINC000871200340 641240735 /nfs/dbraw/zinc/24/07/35/641240735.db2.gz AVZDQYPSAKFJPJ-UHFFFAOYSA-N 0 0 295.342 2.518 20 10 CFCDRN CC(C)CCO[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200475 641241150 /nfs/dbraw/zinc/24/11/50/641241150.db2.gz CMRZLMCUGMYUII-GFCCVEGCSA-N 0 0 277.364 2.686 20 10 CFCDRN O=C([C@H]1CCCc2cccnc21)N1Cc2cccc(O)c2C1 ZINC000871203443 641242933 /nfs/dbraw/zinc/24/29/33/641242933.db2.gz AJPMMUGJFDVBHT-AWEZNQCLSA-N 0 0 294.354 2.750 20 10 CFCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccncc1 ZINC000871202864 641242980 /nfs/dbraw/zinc/24/29/80/641242980.db2.gz HMONJYBZIOXCID-LBPRGKRZSA-N 0 0 282.343 2.823 20 10 CFCDRN CCc1cccnc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203007 641243064 /nfs/dbraw/zinc/24/30/64/641243064.db2.gz JPZFYTGGSDYQGT-UHFFFAOYSA-N 0 0 268.316 2.506 20 10 CFCDRN CC(C)Oc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1 ZINC000871203063 641243123 /nfs/dbraw/zinc/24/31/23/641243123.db2.gz LFUVNQJFSXGFSC-UHFFFAOYSA-N 0 0 298.342 2.730 20 10 CFCDRN CC[C@H]1C[C@H](CC(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871203479 641243338 /nfs/dbraw/zinc/24/33/38/641243338.db2.gz ASGDNGZNNSLQRO-OCCSQVGLSA-N 0 0 289.375 2.830 20 10 CFCDRN CCC[C@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205263 641244162 /nfs/dbraw/zinc/24/41/62/641244162.db2.gz XVEAECPWYZAFKV-OCCSQVGLSA-N 0 0 289.375 2.830 20 10 CFCDRN C[C@@H]1Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000871204123 641244456 /nfs/dbraw/zinc/24/44/56/641244456.db2.gz CVUBZTQSZAVRTM-LLVKDONJSA-N 0 0 295.338 2.872 20 10 CFCDRN CO[C@H](C(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000871205846 641244786 /nfs/dbraw/zinc/24/47/86/641244786.db2.gz LOZQZYZPCVAXAW-INIZCTEOSA-N 0 0 289.375 2.830 20 10 CFCDRN CSCC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205817 641245034 /nfs/dbraw/zinc/24/50/34/641245034.db2.gz ZANMVPJUAXNVEC-UHFFFAOYSA-N 0 0 265.378 2.624 20 10 CFCDRN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1Cc2cccc(O)c2C1 ZINC000871205932 641245164 /nfs/dbraw/zinc/24/51/64/641245164.db2.gz OMJDFNKRGNKTJK-MBNYWOFBSA-N 0 0 269.344 2.837 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)[C@]12C[C@H]1CCCC2 ZINC000871206608 641245227 /nfs/dbraw/zinc/24/52/27/641245227.db2.gz BOXZRFPMQMVEPC-MLGOLLRUSA-N 0 0 257.333 2.815 20 10 CFCDRN Cc1ncsc1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871206195 641245377 /nfs/dbraw/zinc/24/53/77/641245377.db2.gz VYGZFCQTGHSCSF-UHFFFAOYSA-N 0 0 288.372 2.632 20 10 CFCDRN COCc1csc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871206216 641245421 /nfs/dbraw/zinc/24/54/21/641245421.db2.gz WLJREHGOWYORAW-UHFFFAOYSA-N 0 0 289.356 2.756 20 10 CFCDRN O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000871207769 641246196 /nfs/dbraw/zinc/24/61/96/641246196.db2.gz SXPBFDARVGIHEU-FHLIZLRMSA-N 0 0 291.350 2.820 20 10 CFCDRN CCN(CC)C(=O)CNc1ccccc1NC(C)C ZINC000871847290 641477041 /nfs/dbraw/zinc/47/70/41/641477041.db2.gz NVDHMADEDVECRB-UHFFFAOYSA-N 0 0 263.385 2.787 20 10 CFCDRN Cc1nonc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000872135324 641664045 /nfs/dbraw/zinc/66/40/45/641664045.db2.gz FPLYVIYTLXFALI-SNVBAGLBSA-N 0 0 261.325 2.551 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3C[C@H]3C3CCOCC3)n2)cc1 ZINC000872171494 641690558 /nfs/dbraw/zinc/69/05/58/641690558.db2.gz UFZZTTXTTFFTIP-LSDHHAIUSA-N 0 0 299.374 2.773 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)no2)cc1 ZINC000193750403 650690736 /nfs/dbraw/zinc/69/07/36/650690736.db2.gz PAFWZHUCBZAFQJ-UHFFFAOYSA-N 0 0 287.363 2.759 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(C)n2)cc1 ZINC000193936519 650709460 /nfs/dbraw/zinc/70/94/60/650709460.db2.gz WCWBJRSJJODKJU-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN COc1cc(O)c(CNc2cc(C)cc(N)c2)cc1OC ZINC000873217380 642071247 /nfs/dbraw/zinc/07/12/47/642071247.db2.gz KNVSKHDTMVRMRN-UHFFFAOYSA-N 0 0 288.347 2.912 20 10 CFCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1 ZINC000194107624 650717999 /nfs/dbraw/zinc/71/79/99/650717999.db2.gz DCBFELDFQNJKSB-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN Nc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000019845965 642078334 /nfs/dbraw/zinc/07/83/34/642078334.db2.gz YCNMYXOWUXCXJX-UHFFFAOYSA-N 0 0 258.346 3.000 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CC12CCC2)c1ccccc1O ZINC000873267778 642110036 /nfs/dbraw/zinc/11/00/36/642110036.db2.gz JJRGSTOJXXCSPK-MFKMUULPSA-N 0 0 260.337 2.695 20 10 CFCDRN CCC[C@@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000873419360 642196117 /nfs/dbraw/zinc/19/61/17/642196117.db2.gz RBHGXFPYYOUEMC-SNVBAGLBSA-N 0 0 280.320 2.650 20 10 CFCDRN O=C(NCc1ccc2ncccc2c1)c1cccc(O)c1O ZINC000194910259 650733592 /nfs/dbraw/zinc/73/35/92/650733592.db2.gz DNNXDCVRXBGNPI-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000873640460 642284118 /nfs/dbraw/zinc/28/41/18/642284118.db2.gz DUTFILCYZDDYBF-MRXNPFEDSA-N 0 0 290.407 2.828 20 10 CFCDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873730709 642290817 /nfs/dbraw/zinc/29/08/17/642290817.db2.gz AVVXRIYMTIIDCK-QWRGUYRKSA-N 0 0 288.351 2.967 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C[NH+]1CCCC1 ZINC000124715742 642302629 /nfs/dbraw/zinc/30/26/29/642302629.db2.gz ZCNVTOSXOBDMMX-LBPRGKRZSA-N 0 0 282.815 2.867 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1C ZINC000124846615 642344417 /nfs/dbraw/zinc/34/44/17/642344417.db2.gz FOTJBLLMMNVEPR-ZYHUDNBSSA-N 0 0 268.788 2.618 20 10 CFCDRN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874385873 642376598 /nfs/dbraw/zinc/37/65/98/642376598.db2.gz QZULLEPNXFPHQN-SKDRFNHKSA-N 0 0 274.324 2.767 20 10 CFCDRN CC1(C)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874464466 642393608 /nfs/dbraw/zinc/39/36/08/642393608.db2.gz VFDJGWBYXDVTGL-JTQLQIEISA-N 0 0 274.324 2.625 20 10 CFCDRN Cc1csc([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000874500211 642407000 /nfs/dbraw/zinc/40/70/00/642407000.db2.gz NRBKAPKWKIDSQJ-VIFPVBQESA-N 0 0 294.401 2.848 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@H](O)c1ccccc1 ZINC000874750232 642467033 /nfs/dbraw/zinc/46/70/33/642467033.db2.gz GAUQOUCHHGKNIF-GXTWGEPZSA-N 0 0 291.372 2.696 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC23CCC3)cc1 ZINC000874772184 642474234 /nfs/dbraw/zinc/47/42/34/642474234.db2.gz JIOAQJVGNVYRGH-NSHDSACASA-N 0 0 272.308 2.521 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000125257659 642578338 /nfs/dbraw/zinc/57/83/38/642578338.db2.gz YRXXGBVGJBCIKJ-UONOGXRCSA-N 0 0 289.423 2.940 20 10 CFCDRN O=C(c1cc[nH]n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125293777 642587874 /nfs/dbraw/zinc/58/78/74/642587874.db2.gz VGALBVDWKLUOCA-UHFFFAOYSA-N 0 0 297.314 2.551 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000875150002 642591670 /nfs/dbraw/zinc/59/16/70/642591670.db2.gz DFBLCECUUCDIBK-GOEBONIOSA-N 0 0 294.354 2.974 20 10 CFCDRN CCC[C@H](CC)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875175303 642594017 /nfs/dbraw/zinc/59/40/17/642594017.db2.gz JVZJDKIWLJBILL-LBPRGKRZSA-N 0 0 262.353 2.996 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875367480 642614100 /nfs/dbraw/zinc/61/41/00/642614100.db2.gz OZOASMIHYDFYGQ-FZMZJTMJSA-N 0 0 274.364 2.996 20 10 CFCDRN CCc1cnccc1CNC(=O)NCc1cc(C)ccc1O ZINC000875468335 642627235 /nfs/dbraw/zinc/62/72/35/642627235.db2.gz NAELVNZBAFERBV-UHFFFAOYSA-N 0 0 299.374 2.657 20 10 CFCDRN CC1(C)[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1(F)F ZINC000875748224 642678439 /nfs/dbraw/zinc/67/84/39/642678439.db2.gz XYQFKPRGHGKKQB-LBPRGKRZSA-N 0 0 296.317 2.709 20 10 CFCDRN c1ccn(-c2ccc(-c3nc(-c4cnccn4)no3)cc2)c1 ZINC000084512419 650775643 /nfs/dbraw/zinc/77/56/43/650775643.db2.gz MPVDZBPOCMGXBE-UHFFFAOYSA-N 0 0 289.298 2.984 20 10 CFCDRN CCC(F)(F)CNC(=O)N(C)Cc1ccccc1O ZINC000875836538 642699090 /nfs/dbraw/zinc/69/90/90/642699090.db2.gz HGNWJBRSTUNANM-UHFFFAOYSA-N 0 0 272.295 2.579 20 10 CFCDRN C[C@]1(CNC(=O)N2Cc3cccc(O)c3C2)C[C@H]2C[C@H]2C1 ZINC000875876177 642704503 /nfs/dbraw/zinc/70/45/03/642704503.db2.gz NDTKNDVZSBEZLG-LAQFHYBYSA-N 0 0 286.375 2.854 20 10 CFCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000086784043 650797660 /nfs/dbraw/zinc/79/76/60/650797660.db2.gz RTPGHBCFTMGWFQ-QGZVFWFLSA-N 0 0 290.407 2.829 20 10 CFCDRN CC1(C(=O)[O-])CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000086776410 650797512 /nfs/dbraw/zinc/79/75/12/650797512.db2.gz SAXWPSKLHDSVNO-UHFFFAOYSA-N 0 0 283.755 2.732 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000876528415 642906013 /nfs/dbraw/zinc/90/60/13/642906013.db2.gz XRQVDHHMZQPSFE-FGTMMUONSA-N 0 0 292.382 2.513 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCOC1 ZINC000876597358 642939786 /nfs/dbraw/zinc/93/97/86/642939786.db2.gz XBKVKGAHFBMAFD-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN C[C@@H]1C[NH+](Cc2ccc(F)c(F)c2[O-])C[C@@H](C)S1 ZINC000876642941 642955597 /nfs/dbraw/zinc/95/55/97/642955597.db2.gz PPTOXYRKJYEDSG-RKDXNWHRSA-N 0 0 273.348 2.996 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000876781132 643005652 /nfs/dbraw/zinc/00/56/52/643005652.db2.gz KAGSOCXMYRHDTQ-UONOGXRCSA-N 0 0 261.365 2.559 20 10 CFCDRN Cc1ccc(CNc2ccc(CCO)cc2)c(O)c1 ZINC000876836962 643033826 /nfs/dbraw/zinc/03/38/26/643033826.db2.gz MDNLCDZQWWIDCR-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN Cc1cccnc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876942751 643074054 /nfs/dbraw/zinc/07/40/54/643074054.db2.gz DHVNVHOEVWMLQQ-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CCN(Cc1cccs1)C(=O)c1cccc(O)c1O ZINC000126287924 643107507 /nfs/dbraw/zinc/10/75/07/643107507.db2.gz KJHRCTRGXZKYRS-UHFFFAOYSA-N 0 0 277.345 2.822 20 10 CFCDRN C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877037330 643114510 /nfs/dbraw/zinc/11/45/10/643114510.db2.gz MXXBGUKKKMQSKV-MRXNPFEDSA-N 0 0 293.313 2.668 20 10 CFCDRN CC[C@@H](O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000126314222 643115909 /nfs/dbraw/zinc/11/59/09/643115909.db2.gz ZYIGPEZRZVQFER-GFCCVEGCSA-N 0 0 255.333 2.820 20 10 CFCDRN CN(C(=O)CSC[C@@H]1CCCCO1)c1ccc(N)cc1 ZINC000877078141 643139787 /nfs/dbraw/zinc/13/97/87/643139787.db2.gz FDSVPHGOZZUDTO-AWEZNQCLSA-N 0 0 294.420 2.534 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(N(C)C)cn1 ZINC000877094634 643150438 /nfs/dbraw/zinc/15/04/38/643150438.db2.gz ABWLNHAJNTVIIM-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN Cc1ccc(CNc2ccc(N(C)C)cn2)c(O)c1 ZINC000877094764 643150895 /nfs/dbraw/zinc/15/08/95/643150895.db2.gz DZWZBRXWIMOGKQ-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN COCCOc1ccc(NCc2c(C)cccc2O)cn1 ZINC000877116482 643158601 /nfs/dbraw/zinc/15/86/01/643158601.db2.gz YRSMNQXHBQFKBX-UHFFFAOYSA-N 0 0 288.347 2.733 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCO1 ZINC000877123056 643162607 /nfs/dbraw/zinc/16/26/07/643162607.db2.gz FIIIAKBPHWJTJE-NWDGAFQWSA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(C[NH2+]CCCNc2ccccn2)ccc(F)c1F ZINC000877157383 643181199 /nfs/dbraw/zinc/18/11/99/643181199.db2.gz QXZYISFJFIMDOO-UHFFFAOYSA-N 0 0 293.317 2.657 20 10 CFCDRN CC[C@@H](NCc1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000877161390 643182728 /nfs/dbraw/zinc/18/27/28/643182728.db2.gz KJMBYRQDDYWZRT-CYBMUJFWSA-N 0 0 279.380 2.911 20 10 CFCDRN O=C(N[C@H]1CCCc2sccc21)c1cccc(O)c1O ZINC000126390068 643190597 /nfs/dbraw/zinc/19/05/97/643190597.db2.gz PHMXCJAZPYKDFO-NSHDSACASA-N 0 0 289.356 2.967 20 10 CFCDRN CC[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126450211 643227235 /nfs/dbraw/zinc/22/72/35/643227235.db2.gz IRVSCBMWORHWJV-WDEREUQCSA-N 0 0 263.337 2.796 20 10 CFCDRN Cc1nnc([C@H](C)NCc2ccc(C)cc2O)s1 ZINC000877345546 643243785 /nfs/dbraw/zinc/24/37/85/643243785.db2.gz GIRGWSMKXFEQDY-VIFPVBQESA-N 0 0 263.366 2.711 20 10 CFCDRN CCOC(=O)CN(Cc1ccc(C)cc1O)C1CCC1 ZINC000877389015 643255239 /nfs/dbraw/zinc/25/52/39/643255239.db2.gz JFYJQJLBHAPPGB-UHFFFAOYSA-N 0 0 277.364 2.618 20 10 CFCDRN C[C@H](CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126540213 643290802 /nfs/dbraw/zinc/29/08/02/643290802.db2.gz ZPXLNFVQRGAZGK-LLVKDONJSA-N 0 0 271.316 2.631 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000877475480 643292670 /nfs/dbraw/zinc/29/26/70/643292670.db2.gz IPUNXYJKMRTQRM-SECBINFHSA-N 0 0 273.348 2.998 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CC[C@H](C)CC2)c1O ZINC000245675594 650829077 /nfs/dbraw/zinc/82/90/77/650829077.db2.gz FUAMGKGGVYOFAZ-AULYBMBSSA-N 0 0 292.379 2.779 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H](CO)CC2CCCC2)ccc(F)c1F ZINC000877497721 643309861 /nfs/dbraw/zinc/30/98/61/643309861.db2.gz YQJQKEUNIWSNRL-LBPRGKRZSA-N 0 0 299.361 2.949 20 10 CFCDRN C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877528566 643332067 /nfs/dbraw/zinc/33/20/67/643332067.db2.gz DQWHWZYIYFWAPO-OAHLLOKOSA-N 0 0 285.334 2.797 20 10 CFCDRN Cc1ccc(CNCc2nccc(C(F)F)n2)c(O)c1 ZINC000877534577 643337126 /nfs/dbraw/zinc/33/71/26/643337126.db2.gz KESXCHJMOZSUJR-UHFFFAOYSA-N 0 0 279.290 2.718 20 10 CFCDRN CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877543056 643345232 /nfs/dbraw/zinc/34/52/32/643345232.db2.gz VXZVUPPUPCCWFH-LLVKDONJSA-N 0 0 286.366 2.880 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CCC1 ZINC000877544233 643346100 /nfs/dbraw/zinc/34/61/00/643346100.db2.gz TVJJBJZPIAKPPO-OAHLLOKOSA-N 0 0 299.361 2.947 20 10 CFCDRN Cc1ccc(CN2C[C@H](CO)Cc3ccccc32)c(O)c1 ZINC000877544335 643346519 /nfs/dbraw/zinc/34/65/19/643346519.db2.gz VWLRTJAPGFEVMB-CQSZACIVSA-N 0 0 283.371 2.872 20 10 CFCDRN COCC1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877550093 643351362 /nfs/dbraw/zinc/35/13/62/643351362.db2.gz DXDNMUVOJCFZSS-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605843 643393613 /nfs/dbraw/zinc/39/36/13/643393613.db2.gz KBOHJMTXSNQSRJ-ONGXEEELSA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1cccc(O)c1CN[C@@H](C)C(=O)OCc1ccccc1 ZINC000877616455 643402459 /nfs/dbraw/zinc/40/24/59/643402459.db2.gz JTLKVNVYZKIEKI-AWEZNQCLSA-N 0 0 299.370 2.922 20 10 CFCDRN CSC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877663635 643440819 /nfs/dbraw/zinc/44/08/19/643440819.db2.gz WODDGAGVKUKVQP-UHFFFAOYSA-N 0 0 273.348 2.998 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)O1 ZINC000877681808 643450910 /nfs/dbraw/zinc/45/09/10/643450910.db2.gz JQMKGEHOXUTIJZ-DNSOKLHBSA-N 0 0 273.735 2.840 20 10 CFCDRN Cn1ncc(C2CC2)c1CN1Cc2cccc(O)c2C1 ZINC000877702976 643469613 /nfs/dbraw/zinc/46/96/13/643469613.db2.gz MWMORLGWIZAWHC-UHFFFAOYSA-N 0 0 269.348 2.519 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000877739090 643503433 /nfs/dbraw/zinc/50/34/33/643503433.db2.gz FGDORQGFQASNKC-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN CCn1ncc(NCc2cc(OC)c(OC)cc2O)c1C ZINC000877832912 643599554 /nfs/dbraw/zinc/59/95/54/643599554.db2.gz SZGKCVVFPMOBLU-UHFFFAOYSA-N 0 0 291.351 2.546 20 10 CFCDRN CCN(C[C@@H]1CCO[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000878218199 643797376 /nfs/dbraw/zinc/79/73/76/643797376.db2.gz KLIMKWQKARAQBR-OLZOCXBDSA-N 0 0 279.380 2.955 20 10 CFCDRN CN(Cc1nc(C2CCC2)no1)c1ccc2c(c1)OCO2 ZINC000878302441 643829646 /nfs/dbraw/zinc/82/96/46/643829646.db2.gz NEZFYCMFZKEASI-UHFFFAOYSA-N 0 0 287.319 2.702 20 10 CFCDRN CCc1ncc(NC(=O)N[C@@H](C)c2ccccc2O)cn1 ZINC000878992648 644102267 /nfs/dbraw/zinc/10/22/67/644102267.db2.gz BGRVKBOZSKZXCK-JTQLQIEISA-N 0 0 286.335 2.627 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(C)cn1 ZINC000127689428 644244299 /nfs/dbraw/zinc/24/42/99/644244299.db2.gz RRFCAHHOPLLXDD-UHFFFAOYSA-N 0 0 254.333 2.961 20 10 CFCDRN C[C@@H](NCc1nnc(C(C)(C)C)o1)c1ccccc1O ZINC000879648707 644363258 /nfs/dbraw/zinc/36/32/58/644363258.db2.gz AFAXBDKJZYJFGV-SNVBAGLBSA-N 0 0 275.352 2.924 20 10 CFCDRN C[C@@H](NCc1noc(C2CCC2)n1)c1ccccc1O ZINC000879650104 644363438 /nfs/dbraw/zinc/36/34/38/644363438.db2.gz ITAFKDYAPIZJIV-SNVBAGLBSA-N 0 0 273.336 2.894 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc(Cl)ccc1O ZINC000092380422 650919204 /nfs/dbraw/zinc/91/92/04/650919204.db2.gz HRRKIRSBRVNPGK-UHFFFAOYSA-N 0 0 285.771 2.821 20 10 CFCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)nc(C)n1 ZINC000880292286 644629879 /nfs/dbraw/zinc/62/98/79/644629879.db2.gz XFWSWRRLBXDNIF-SNVBAGLBSA-N 0 0 286.335 2.682 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CC[C@H]2CC(C)(C)CO2)c1 ZINC000880836804 644847067 /nfs/dbraw/zinc/84/70/67/644847067.db2.gz CAZHKKPLMNHNQF-AWEZNQCLSA-N 0 0 291.391 2.912 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc(F)cc1Cl ZINC000128671197 644852643 /nfs/dbraw/zinc/85/26/43/644852643.db2.gz JCBPYLPXFQRAMU-FPYGCLRLSA-N 0 0 273.741 2.968 20 10 CFCDRN Nc1ccc(OCc2cn([C@H]3C=CCCC3)nn2)cc1 ZINC000881211738 644932721 /nfs/dbraw/zinc/93/27/21/644932721.db2.gz HTLPRJLUQFFSER-AWEZNQCLSA-N 0 0 270.336 2.721 20 10 CFCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F ZINC000881282935 644943009 /nfs/dbraw/zinc/94/30/09/644943009.db2.gz NMYFHEPEOZNHSW-VIFPVBQESA-N 0 0 298.333 2.724 20 10 CFCDRN C[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)c1ccccc1O ZINC000881440705 644975418 /nfs/dbraw/zinc/97/54/18/644975418.db2.gz MBRBXNJOYKGDPP-XMZIXOGTSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)c1ccccc1O ZINC000881440700 644975519 /nfs/dbraw/zinc/97/55/19/644975519.db2.gz MBRBXNJOYKGDPP-LYOVBCGYSA-N 0 0 299.374 2.659 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CC=CC2)c1 ZINC000129382047 645174753 /nfs/dbraw/zinc/17/47/53/645174753.db2.gz GCSZGGXESFCMFL-JTQLQIEISA-N 0 0 261.321 2.544 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](CF)C2)cc1OC ZINC000882802105 645462968 /nfs/dbraw/zinc/46/29/68/645462968.db2.gz PSGZGQCDWGEKGM-JTQLQIEISA-N 0 0 298.314 2.798 20 10 CFCDRN Cc1noc(C)c1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883034090 645574466 /nfs/dbraw/zinc/57/44/66/645574466.db2.gz LODWYFXBYPKKPV-UHFFFAOYSA-N 0 0 296.317 2.998 20 10 CFCDRN CNC(=O)c1cnc(/C=C/c2ccc3c(c2)CCN3C)s1 ZINC000130916889 645591716 /nfs/dbraw/zinc/59/17/16/645591716.db2.gz RKONGHHKIAUFBF-GQCTYLIASA-N 0 0 299.399 2.665 20 10 CFCDRN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082778 645597292 /nfs/dbraw/zinc/59/72/92/645597292.db2.gz QFVZXUVWAWCJJQ-RNCFNFMXSA-N 0 0 271.307 2.575 20 10 CFCDRN CSCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000130998204 645605871 /nfs/dbraw/zinc/60/58/71/645605871.db2.gz VUDCVYJLJLKVOW-SECBINFHSA-N 0 0 253.371 2.532 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2nccn21 ZINC000883135900 645621080 /nfs/dbraw/zinc/62/10/80/645621080.db2.gz PLJSQQOMDXILIR-PRHODGIISA-N 0 0 279.290 2.663 20 10 CFCDRN CCn1cc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000883137456 645621519 /nfs/dbraw/zinc/62/15/19/645621519.db2.gz FTWTYFPYNLPAFV-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN CC1(C)C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883140326 645623128 /nfs/dbraw/zinc/62/31/28/645623128.db2.gz QEYKHQONZXIQFT-SNVBAGLBSA-N 0 0 285.334 2.965 20 10 CFCDRN COCC1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883146433 645624451 /nfs/dbraw/zinc/62/44/51/645624451.db2.gz MXNOKWWNUXIVKF-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)C(C)C ZINC000883146280 645624591 /nfs/dbraw/zinc/62/45/91/645624591.db2.gz HFGJMBZJASWPFX-CHWSQXEVSA-N 0 0 273.323 2.556 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)C(C)C ZINC000883146281 645624930 /nfs/dbraw/zinc/62/49/30/645624930.db2.gz HFGJMBZJASWPFX-OLZOCXBDSA-N 0 0 273.323 2.556 20 10 CFCDRN COCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000883164485 645633534 /nfs/dbraw/zinc/63/35/34/645633534.db2.gz HCYGOJIFGBXMKQ-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN Cc1ccncc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883166832 645635672 /nfs/dbraw/zinc/63/56/72/645635672.db2.gz JXPVBWWBJIUKLH-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000883170026 645637397 /nfs/dbraw/zinc/63/73/97/645637397.db2.gz JNYLMSWSBXHTPE-GJZGRUSLSA-N 0 0 291.297 2.938 20 10 CFCDRN CO[C@@H](C)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000304689036 651029973 /nfs/dbraw/zinc/02/99/73/651029973.db2.gz ZMPAEZJHRGILDD-VIFPVBQESA-N 0 0 288.185 2.621 20 10 CFCDRN C=C/C=C\CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883268898 645711648 /nfs/dbraw/zinc/71/16/48/645711648.db2.gz VTBIJSWAUFJJLP-FJOGCWAESA-N 0 0 275.348 2.962 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000131449726 645728014 /nfs/dbraw/zinc/72/80/14/645728014.db2.gz YVFOHJMQFBXISH-NSHDSACASA-N 0 0 293.386 2.880 20 10 CFCDRN Cc1cc(NCc2cc3c(cc2O)OCO3)cnc1C ZINC000883342010 645752642 /nfs/dbraw/zinc/75/26/42/645752642.db2.gz HNSYFINXHSCWJH-UHFFFAOYSA-N 0 0 272.304 2.745 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(F)CC1 ZINC000883421346 645816094 /nfs/dbraw/zinc/81/60/94/645816094.db2.gz JJHSTISEIDFAOR-UHFFFAOYSA-N 0 0 293.386 2.705 20 10 CFCDRN COC[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000132564322 645935425 /nfs/dbraw/zinc/93/54/25/645935425.db2.gz YOCMWQIBOIUJBE-VIFPVBQESA-N 0 0 288.185 2.588 20 10 CFCDRN O=C(COc1cccc(Cl)c1)NCc1ccccc1O ZINC000133793398 646228024 /nfs/dbraw/zinc/22/80/24/646228024.db2.gz WDJSYRHAPCQRKA-UHFFFAOYSA-N 0 0 291.734 2.741 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc(OC(F)F)c1 ZINC000133783574 646228172 /nfs/dbraw/zinc/22/81/72/646228172.db2.gz HRVHPMFPQYFSNO-UHFFFAOYSA-N 0 0 293.269 2.924 20 10 CFCDRN O=C(CSc1ccccc1)NCc1ccccc1O ZINC000133795542 646228941 /nfs/dbraw/zinc/22/89/41/646228941.db2.gz FFDCMBYFQNSIFE-UHFFFAOYSA-N 0 0 273.357 2.801 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccc(F)c1 ZINC000133800044 646229622 /nfs/dbraw/zinc/22/96/22/646229622.db2.gz HCKQJPPRTORIBR-UHFFFAOYSA-N 0 0 260.268 2.853 20 10 CFCDRN CN(C(=O)C[C@@H]1CCC2(CCC2)CO1)c1ccc(N)cc1 ZINC000884441164 646358971 /nfs/dbraw/zinc/35/89/71/646358971.db2.gz BAJFYICWHDNKPE-HNNXBMFYSA-N 0 0 288.391 2.971 20 10 CFCDRN CCc1nccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000884552085 646444386 /nfs/dbraw/zinc/44/43/86/646444386.db2.gz QLVRCHWJGAYJQC-ZDUSSCGKSA-N 0 0 298.390 2.738 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2cc[nH]c21 ZINC000135358737 646521410 /nfs/dbraw/zinc/52/14/10/646521410.db2.gz KPSCGWPPSWADNJ-UHFFFAOYSA-N 0 0 266.300 2.804 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3cccnc32)c(O)c1O ZINC000885364923 646672526 /nfs/dbraw/zinc/67/25/26/646672526.db2.gz IRMPFCMYKQULHR-CYBMUJFWSA-N 0 0 298.342 2.609 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@@]23CCOC3)cc1OC ZINC000885965853 646787666 /nfs/dbraw/zinc/78/76/66/646787666.db2.gz WPIKPVUNJSVOII-BLLLJJGKSA-N 0 0 277.364 2.567 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1F ZINC000886040412 646835863 /nfs/dbraw/zinc/83/58/63/646835863.db2.gz YCSLLXYTBVDRFN-NHYWBVRUSA-N 0 0 265.328 2.697 20 10 CFCDRN COc1cccc(O)c1CNCc1cc(C2CC2)no1 ZINC000886272536 646945157 /nfs/dbraw/zinc/94/51/57/646945157.db2.gz SFAVNJCDUKVEMO-UHFFFAOYSA-N 0 0 274.320 2.556 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1c([O-])cccc1F ZINC000886489653 647017015 /nfs/dbraw/zinc/01/70/15/647017015.db2.gz NQSNMHXNLVMZRS-XHDPSFHLSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1c([O-])cccc1F ZINC000886498538 647020595 /nfs/dbraw/zinc/02/05/95/647020595.db2.gz FYWXKGYVWGWDSW-BXKDBHETSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@H]([NH2+]Cc1cccnc1N(C)C)c1c([O-])cccc1F ZINC000886502952 647022511 /nfs/dbraw/zinc/02/25/11/647022511.db2.gz VPFQISONLSOOFO-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN CCCCOCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886517947 647025777 /nfs/dbraw/zinc/02/57/77/647025777.db2.gz XQJDCBKFQRESKX-NSHDSACASA-N 0 0 255.333 2.999 20 10 CFCDRN C[C@@H](NCc1cscn1)c1c(O)cccc1F ZINC000886518781 647025855 /nfs/dbraw/zinc/02/58/55/647025855.db2.gz GGFGVXZOFHZDOU-MRVPVSSYSA-N 0 0 252.314 2.839 20 10 CFCDRN COCCOCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886518603 647025998 /nfs/dbraw/zinc/02/59/98/647025998.db2.gz ABEDPHOMRBAFLV-LBPRGKRZSA-N 0 0 285.359 2.625 20 10 CFCDRN C[C@H]([NH2+]CCCc1cnn(C)c1)c1c([O-])cccc1F ZINC000886520288 647026759 /nfs/dbraw/zinc/02/67/59/647026759.db2.gz ARMGSHXKMGKTAQ-NSHDSACASA-N 0 0 277.343 2.548 20 10 CFCDRN CC(C)N(C)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886521367 647027015 /nfs/dbraw/zinc/02/70/15/647027015.db2.gz ZLUURGXAGKYZBH-LLVKDONJSA-N 0 0 254.349 2.522 20 10 CFCDRN CCc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886526424 647030010 /nfs/dbraw/zinc/03/00/10/647030010.db2.gz LZSITEVZDBRGQS-VIFPVBQESA-N 0 0 263.316 2.668 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886526421 647030143 /nfs/dbraw/zinc/03/01/43/647030143.db2.gz LYYSSOVHZVMPMQ-SECBINFHSA-N 0 0 294.292 2.676 20 10 CFCDRN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886527858 647031076 /nfs/dbraw/zinc/03/10/76/647031076.db2.gz BINVVPHRWIRBIX-GIGQVBGESA-N 0 0 287.400 2.729 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1c([O-])cccc1F ZINC000886530197 647031796 /nfs/dbraw/zinc/03/17/96/647031796.db2.gz GBTBKJUJNKCSIL-ZANVPECISA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000886532479 647032659 /nfs/dbraw/zinc/03/26/59/647032659.db2.gz JRFJZRDRLYMDPX-OUAUKWLOSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886540776 647037448 /nfs/dbraw/zinc/03/74/48/647037448.db2.gz KSLHXHPCIKVUJO-GRYCIOLGSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1c([O-])cccc1F ZINC000886540878 647037786 /nfs/dbraw/zinc/03/77/86/647037786.db2.gz MFJHYUZZPCPBAK-RYUDHWBXSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886543378 647039998 /nfs/dbraw/zinc/03/99/98/647039998.db2.gz NTCIQDDGNDDQHU-UTUOFQBUSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886549425 647043463 /nfs/dbraw/zinc/04/34/63/647043463.db2.gz HVBDGFVTMBEYHF-MNOVXSKESA-N 0 0 294.370 2.581 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886549426 647043603 /nfs/dbraw/zinc/04/36/03/647043603.db2.gz HVBDGFVTMBEYHF-QWRGUYRKSA-N 0 0 294.370 2.581 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886560257 647046886 /nfs/dbraw/zinc/04/68/86/647046886.db2.gz SNSYCMGFNWLNBV-VWYCJHECSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1c([O-])cccc1F ZINC000886561581 647048242 /nfs/dbraw/zinc/04/82/42/647048242.db2.gz BXPRKVMZIWZATM-GFCCVEGCSA-N 0 0 289.350 2.917 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886572799 647051523 /nfs/dbraw/zinc/05/15/23/647051523.db2.gz ANMCGPBVIDGCGF-OIBJUYFYSA-N 0 0 281.249 2.759 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000886588126 647056387 /nfs/dbraw/zinc/05/63/87/647056387.db2.gz LKLNAHZEPQWCGJ-GRYCIOLGSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886588127 647056701 /nfs/dbraw/zinc/05/67/01/647056701.db2.gz LKLNAHZEPQWCGJ-SDDRHHMPSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1c([O-])cccc1F ZINC000886591723 647057780 /nfs/dbraw/zinc/05/77/80/647057780.db2.gz AEKKSRPHNZQWMQ-SKDRFNHKSA-N 0 0 281.352 2.977 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886596593 647060766 /nfs/dbraw/zinc/06/07/66/647060766.db2.gz JVVQRGCDMOFDRW-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886614324 647068291 /nfs/dbraw/zinc/06/82/91/647068291.db2.gz TWLFKEQTMOBVPH-LBPRGKRZSA-N 0 0 297.370 2.625 20 10 CFCDRN C[C@H](CCCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886617797 647070481 /nfs/dbraw/zinc/07/04/81/647070481.db2.gz YXPZQMQKAIRHDN-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886643107 647084690 /nfs/dbraw/zinc/08/46/90/647084690.db2.gz LEYGICNWTOTSDJ-ZYHUDNBSSA-N 0 0 293.338 2.834 20 10 CFCDRN C[C@@]1(NC(=O)C2=CC(=O)CS2)CCOc2ccccc21 ZINC000887058101 647200178 /nfs/dbraw/zinc/20/01/78/647200178.db2.gz GEWKBAYKGSDFBA-OAHLLOKOSA-N 0 0 289.356 2.881 20 10 CFCDRN CCN(C)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1 ZINC000887079531 647203393 /nfs/dbraw/zinc/20/33/93/647203393.db2.gz UDHYNGIIZMMGNK-CYBMUJFWSA-N 0 0 290.329 2.546 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1CCOCC1 ZINC000887387188 647297585 /nfs/dbraw/zinc/29/75/85/647297585.db2.gz JVTKSTCYNQUJBI-UHFFFAOYSA-N 0 0 283.393 2.636 20 10 CFCDRN CCc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000890030271 647726326 /nfs/dbraw/zinc/72/63/26/647726326.db2.gz BFGRSEAOQVASIE-NSHDSACASA-N 0 0 287.363 2.794 20 10 CFCDRN CC1(C)CCC[C@H](CNC(=O)C2=CC(=O)CS2)O1 ZINC000890126223 647752005 /nfs/dbraw/zinc/75/20/05/647752005.db2.gz BTYAWROAROCTAW-SNVBAGLBSA-N 0 0 269.366 2.531 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000926142852 648415253 /nfs/dbraw/zinc/41/52/53/648415253.db2.gz MFEGHOCJPDSVDM-DOMZBBRYSA-N 0 0 289.379 2.596 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1[O-] ZINC000926934788 648663603 /nfs/dbraw/zinc/66/36/03/648663603.db2.gz AXIKKXRQWNGCMU-CZXHOFHRSA-N 0 0 277.339 2.773 20 10 CFCDRN COC[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000927600090 648804200 /nfs/dbraw/zinc/80/42/00/648804200.db2.gz NYNGKDVPMNVTFW-CHWSQXEVSA-N 0 0 294.395 2.671 20 10 CFCDRN C[C@H]1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928705200 648944153 /nfs/dbraw/zinc/94/41/53/648944153.db2.gz HFCLIAAQGYQBTH-QWRGUYRKSA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCCCC(=O)C1 ZINC000928706360 648944983 /nfs/dbraw/zinc/94/49/83/648944983.db2.gz RCDAUBWVCYVNCO-LLVKDONJSA-N 0 0 293.338 2.687 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000928712825 648946602 /nfs/dbraw/zinc/94/66/02/648946602.db2.gz VNURNSOPUCJGQA-OAUYIBNBSA-N 0 0 297.329 2.733 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000929913459 649149225 /nfs/dbraw/zinc/14/92/25/649149225.db2.gz MGAYHUJASJUDIX-COXVUDFISA-N 0 0 291.391 2.716 20 10 CFCDRN CCc1ncc(CN(C)c2ccc(OC)cc2OC)o1 ZINC000930076223 649179302 /nfs/dbraw/zinc/17/93/02/649179302.db2.gz DOJAZXMHWUAXKN-UHFFFAOYSA-N 0 0 276.336 2.891 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cn(C)cn2)c(C)c1 ZINC000930299302 649225324 /nfs/dbraw/zinc/22/53/24/649225324.db2.gz XZPWMKVLFRHFOC-VURMDHGXSA-N 0 0 269.348 2.713 20 10 CFCDRN COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)c(C)n1 ZINC000930385212 649241358 /nfs/dbraw/zinc/24/13/58/649241358.db2.gz RNXOHCMLFLGFKK-UHFFFAOYSA-N 0 0 299.330 2.652 20 10 CFCDRN Cc1cc(CN[C@]2(C)CC(C)(C)OC2=O)ccc1N(C)C ZINC000930872019 649340395 /nfs/dbraw/zinc/34/03/95/649340395.db2.gz GHEGHFOMTNFBAW-QGZVFWFLSA-N 0 0 290.407 2.635 20 10 CFCDRN CC(C)OCc1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000931553554 649453873 /nfs/dbraw/zinc/45/38/73/649453873.db2.gz FADRBPKQLXQKPM-LLVKDONJSA-N 0 0 291.351 2.551 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C/c1cn(C)cn1 ZINC000934102084 649748960 /nfs/dbraw/zinc/74/89/60/649748960.db2.gz DERCBKCCXGRJFS-IYNGYCSASA-N 0 0 297.358 2.556 20 10 CFCDRN O=C(Nc1noc2c1CCCC2)N1Cc2cccc(O)c2C1 ZINC000934342925 649777263 /nfs/dbraw/zinc/77/72/63/649777263.db2.gz SWLGHWDCZOPGDB-UHFFFAOYSA-N 0 0 299.330 2.807 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC1(C)COC1 ZINC000934706021 649818118 /nfs/dbraw/zinc/81/81/18/649818118.db2.gz ARFNPYGHIXVKPN-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN CC[C@@H](Nc1cnn(CCO)c1)c1ccc(N(C)C)cc1 ZINC000305797417 651080961 /nfs/dbraw/zinc/08/09/61/651080961.db2.gz FISAWFZKJKDWIK-MRXNPFEDSA-N 0 0 288.395 2.505 20 10 CFCDRN CCC[C@](C)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000305807327 651082185 /nfs/dbraw/zinc/08/21/85/651082185.db2.gz ZQYMHCDMURCQNW-CYBMUJFWSA-N 0 0 257.761 2.686 20 10 CFCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(CCO)c2)cc1 ZINC000305862895 651085768 /nfs/dbraw/zinc/08/57/68/651085768.db2.gz XUDFRNOXRFKNFV-ZDUSSCGKSA-N 0 0 288.395 2.505 20 10 CFCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281277 651258159 /nfs/dbraw/zinc/25/81/59/651258159.db2.gz NPBKTSAJTWZYPE-CQSZACIVSA-N 0 0 292.423 2.882 20 10 CFCDRN COC(=O)c1cnc(-c2c(C)ccnc2F)c2ccn(C)c21 ZINC001243550328 782273891 /nfs/dbraw/zinc/27/38/91/782273891.db2.gz GGNTVNSDKUXYAE-UHFFFAOYSA-N 0 0 299.305 2.869 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(C(C)(C)C)c2)n1 ZINC001243563278 782279965 /nfs/dbraw/zinc/27/99/65/782279965.db2.gz VPTBKEPVILSMLO-UHFFFAOYSA-N 0 0 269.352 2.895 20 10 CFCDRN CC(C)(C)n1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001243564137 782281720 /nfs/dbraw/zinc/28/17/20/782281720.db2.gz VRSAQMVALJPPSG-UHFFFAOYSA-N 0 0 271.364 2.877 20 10 CFCDRN COc1cc(O)c(CN2CC(C)C2)cc1Br ZINC001233134670 777804799 /nfs/dbraw/zinc/80/47/99/777804799.db2.gz AZKKQNPFIZWGAB-UHFFFAOYSA-N 0 0 286.169 2.615 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)NCc1cc(C)ccc1O ZINC001167293527 770226982 /nfs/dbraw/zinc/22/69/82/770226982.db2.gz HTILSIDXUZKLNS-AATRIKPKSA-N 0 0 288.372 2.795 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccncc2Cl)c1 ZINC001167293621 770227287 /nfs/dbraw/zinc/22/72/87/770227287.db2.gz LQQWOUJKOXEIGQ-UHFFFAOYSA-N 0 0 276.723 2.679 20 10 CFCDRN CCCCCCNC(=O)NCc1c(O)cccc1F ZINC001211051085 770422943 /nfs/dbraw/zinc/42/29/43/770422943.db2.gz WITQTLBLTNHKBU-UHFFFAOYSA-N 0 0 268.332 2.911 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403567 770532288 /nfs/dbraw/zinc/53/22/88/770532288.db2.gz QYBPDVFQXHIZHN-SXLAOSRYSA-N 0 0 275.348 2.806 20 10 CFCDRN Cc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403372 770532366 /nfs/dbraw/zinc/53/23/66/770532366.db2.gz IDYRNZSMVOPFDX-CLFYSBASSA-N 0 0 283.327 2.736 20 10 CFCDRN C[C@@H](c1ccccn1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404720 770533475 /nfs/dbraw/zinc/53/34/75/770533475.db2.gz MFJDAXLIIOCACV-UPZNUWHASA-N 0 0 298.342 2.726 20 10 CFCDRN CC[NH+]1CCC(N(C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583676 770964641 /nfs/dbraw/zinc/96/46/41/770964641.db2.gz QOLPZCJTFXNNAI-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc(Cl)cc1F ZINC000588542773 770970920 /nfs/dbraw/zinc/97/09/20/770970920.db2.gz SBMDFKHBJGVCKV-FPYGCLRLSA-N 0 0 273.741 2.968 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c1 ZINC001140622638 773221563 /nfs/dbraw/zinc/22/15/63/773221563.db2.gz CJPZKFAKHJWZKQ-GMXVVIOVSA-N 0 0 287.281 2.605 20 10 CFCDRN CN(C)c1ccc(CN2CCn3nccc3C2)c(Cl)c1 ZINC001140926197 775655616 /nfs/dbraw/zinc/65/56/16/775655616.db2.gz HZUMGMXWJQMJFV-UHFFFAOYSA-N 0 0 290.798 2.618 20 10 CFCDRN CC[C@H](Oc1c(O)c(O)c(O)c(O)c1O)C1CCCCC1 ZINC001226468099 775834476 /nfs/dbraw/zinc/83/44/76/775834476.db2.gz MHCFCQJCQPBGEH-VIFPVBQESA-N 0 0 298.335 2.952 20 10 CFCDRN Oc1c(O)c(O)c(OC2CCCCCCC2)c(O)c1O ZINC001226468121 775834749 /nfs/dbraw/zinc/83/47/49/775834749.db2.gz MMBYIDJZJKLRHX-UHFFFAOYSA-N 0 0 284.308 2.706 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465252 775834829 /nfs/dbraw/zinc/83/48/29/775834829.db2.gz RBJAJUIBNDKPIK-HTQZYQBOSA-N 0 0 284.308 2.562 20 10 CFCDRN Nc1ccc(CC(=O)NCC2CCC3(CC3)CC2)cc1 ZINC000695616878 775887067 /nfs/dbraw/zinc/88/70/67/775887067.db2.gz DTPIARSVPOXZMU-UHFFFAOYSA-N 0 0 272.392 2.898 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c1ccc(O)c2OC1CC1 ZINC001227580461 776233745 /nfs/dbraw/zinc/23/37/45/776233745.db2.gz QQERTMMOECVCNS-UHFFFAOYSA-N 0 0 280.279 2.709 20 10 CFCDRN CCOC(=O)[C@@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227939345 776335401 /nfs/dbraw/zinc/33/54/01/776335401.db2.gz SXKMPZDUXVWJRV-LLVKDONJSA-N 0 0 291.269 2.625 20 10 CFCDRN CCC(CC)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228205281 776421041 /nfs/dbraw/zinc/42/10/41/776421041.db2.gz PTKKIAXOQACDNH-UHFFFAOYSA-N 0 0 290.407 2.923 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)ccc(F)c1F ZINC000722315955 776446461 /nfs/dbraw/zinc/44/64/61/776446461.db2.gz DZVAFGSJUBLITH-DGCLKSJQSA-N 0 0 283.318 2.718 20 10 CFCDRN CC[NH+](CC)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685995 776621596 /nfs/dbraw/zinc/62/15/96/776621596.db2.gz IWGRIOBVTIFSCK-NSHDSACASA-N 0 0 284.350 2.587 20 10 CFCDRN Cc1nc2ccc(N(CCO)c3ccc(N)cc3)cc2o1 ZINC001213066697 776906912 /nfs/dbraw/zinc/90/69/12/776906912.db2.gz JICFEBKNGMPFBR-UHFFFAOYSA-N 0 0 283.331 2.849 20 10 CFCDRN O=C(NCc1ccccc1O)C12CCC(CC1)CC2 ZINC000710145049 777042934 /nfs/dbraw/zinc/04/29/34/777042934.db2.gz SSOVPVOQRXWZMN-UHFFFAOYSA-N 0 0 259.349 2.979 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001231455907 777222812 /nfs/dbraw/zinc/22/28/12/777222812.db2.gz XIZBOANUUAGNRY-UHFFFAOYSA-N 0 0 283.327 2.690 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC23CCCC3)c(O)c1 ZINC001231450612 777223010 /nfs/dbraw/zinc/22/30/10/777223010.db2.gz TYRVJEFRINISJH-UHFFFAOYSA-N 0 0 261.321 2.609 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2CCCCCCC2)c(O)c1 ZINC001231452992 777224041 /nfs/dbraw/zinc/22/40/41/777224041.db2.gz ZGPXHENQFGMSQT-UHFFFAOYSA-N 0 0 263.337 2.857 20 10 CFCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231454508 777224105 /nfs/dbraw/zinc/22/41/05/777224105.db2.gz ZDBPLJNFPIBOOR-UHFFFAOYSA-N 0 0 297.354 2.957 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(O)c1 ZINC001231452658 777224651 /nfs/dbraw/zinc/22/46/51/777224651.db2.gz QRHVIKFKDMQNTN-OAHLLOKOSA-N 0 0 298.342 2.823 20 10 CFCDRN CN(Cc1ccc(OCc2ccccc2)cc1O)C1COC1 ZINC001231469158 777229844 /nfs/dbraw/zinc/22/98/44/777229844.db2.gz QQIJCLRVFDANQH-UHFFFAOYSA-N 0 0 299.370 2.802 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001231561308 777258664 /nfs/dbraw/zinc/25/86/64/777258664.db2.gz RXDQYCXOYHODOY-BETUJISGSA-N 0 0 275.348 2.712 20 10 CFCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566266 777261519 /nfs/dbraw/zinc/26/15/19/777261519.db2.gz VTQZUZSAOUXKJR-ZDUSSCGKSA-N 0 0 263.337 2.711 20 10 CFCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231569316 777262902 /nfs/dbraw/zinc/26/29/02/777262902.db2.gz UOFVQICXHDAEJY-UHFFFAOYSA-N 0 0 297.354 2.957 20 10 CFCDRN Oc1ccc2ccccc2c1C[N@H+]1CCc2nccn2CC1 ZINC001231590506 777270496 /nfs/dbraw/zinc/27/04/96/777270496.db2.gz FJGFDXDDZQHCSM-UHFFFAOYSA-N 0 0 293.370 2.800 20 10 CFCDRN Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001231594362 777272932 /nfs/dbraw/zinc/27/29/32/777272932.db2.gz CCGGTTCLLKYUMR-UHFFFAOYSA-N 0 0 292.379 2.711 20 10 CFCDRN COc1cc(C[N@@H+]2CCCC[C@](C)(F)C2)c(O)cc1O ZINC001231635393 777287404 /nfs/dbraw/zinc/28/74/04/777287404.db2.gz XWUSGYIZVAQTHJ-HNNXBMFYSA-N 0 0 283.343 2.821 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1Cc2cnc(C)cc2C1 ZINC001231855023 777351877 /nfs/dbraw/zinc/35/18/77/777351877.db2.gz OQTFKHZJPHCBQZ-UHFFFAOYSA-N 0 0 297.402 2.980 20 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COc1cc(O)c(CN2CCCCO2)cc1Cl ZINC001232263911 777498201 /nfs/dbraw/zinc/49/82/01/777498201.db2.gz BLAYGRLCFOZWRG-UHFFFAOYSA-N 0 0 257.717 2.582 20 10 CFCDRN Oc1cccc2c1CN(Cc1cn3cc(F)ccc3n1)CC2 ZINC001232414227 777550145 /nfs/dbraw/zinc/55/01/45/777550145.db2.gz GAKNEOYQCMYYCT-UHFFFAOYSA-N 0 0 297.333 2.737 20 10 CFCDRN CC[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(N(C)C)cc1 ZINC001232429774 777558616 /nfs/dbraw/zinc/55/86/16/777558616.db2.gz BSZRQQOHXUYHNL-UHFFFAOYSA-N 0 0 298.434 2.987 20 10 CFCDRN Oc1cc(O)c(CCNc2cccc3ocnc32)cc1O ZINC001168005298 777576230 /nfs/dbraw/zinc/57/62/30/777576230.db2.gz DWZFMKACLYZZSD-UHFFFAOYSA-N 0 0 286.287 2.599 20 10 CFCDRN Oc1cc(CN2CCC[C@@H]2c2nccs2)cc(O)c1O ZINC001233016778 777766286 /nfs/dbraw/zinc/76/62/86/777766286.db2.gz OASZGQZIQDGIJC-SNVBAGLBSA-N 0 0 292.360 2.597 20 10 CFCDRN C[N@H+](C/C=C/c1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233017179 777766640 /nfs/dbraw/zinc/76/66/40/777766640.db2.gz TXUQELDBJREWTE-VMPITWQZSA-N 0 0 285.343 2.949 20 10 CFCDRN C[N@H+](Cc1c([O-])cc(Br)cc1F)C1CC1 ZINC001233026628 777769435 /nfs/dbraw/zinc/76/94/35/777769435.db2.gz ANQNFKSLVNQJAV-UHFFFAOYSA-N 0 0 274.133 2.888 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC(=O)C[C@H]2C)c1O ZINC001233288062 777870705 /nfs/dbraw/zinc/87/07/05/777870705.db2.gz UECSTPIYECTMDG-SECBINFHSA-N 0 0 283.755 2.608 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CC(F)(F)C[C@H]1CF ZINC001233332159 777889026 /nfs/dbraw/zinc/88/90/26/777889026.db2.gz ANKVQWUBSRMPMM-ZETCQYMHSA-N 0 0 281.224 2.850 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001233332348 777889100 /nfs/dbraw/zinc/88/91/00/777889100.db2.gz HYRBWFHTIWAHAW-VIFPVBQESA-N 0 0 259.271 2.994 20 10 CFCDRN CCOC(=O)[C@@H]1CCCCN1Cc1c(O)ccc(F)c1F ZINC001233335175 777894452 /nfs/dbraw/zinc/89/44/52/777894452.db2.gz KGMRIRVMBSKXTN-LBPRGKRZSA-N 0 0 299.317 2.588 20 10 CFCDRN CC(C)O[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335779 777897896 /nfs/dbraw/zinc/89/78/96/777897896.db2.gz LCVJHHDGOFPFON-JTQLQIEISA-N 0 0 271.307 2.670 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@]23CCOC3)cccc1C(F)(F)F ZINC001233418953 777942844 /nfs/dbraw/zinc/94/28/44/777942844.db2.gz CZHLSTRDCGBPSF-CYBMUJFWSA-N 0 0 287.281 2.776 20 10 CFCDRN C[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233451973 777957705 /nfs/dbraw/zinc/95/77/05/777957705.db2.gz GRZZFPOAMOJGQX-SECBINFHSA-N 0 0 275.270 2.632 20 10 CFCDRN O=C1CCN(Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452093 777958234 /nfs/dbraw/zinc/95/82/34/777958234.db2.gz KOBREVNXWVMBSI-UHFFFAOYSA-N 0 0 273.254 2.576 20 10 CFCDRN Oc1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1O ZINC001233485925 777962927 /nfs/dbraw/zinc/96/29/27/777962927.db2.gz QKHVJUOQEKWSAA-UHFFFAOYSA-N 0 0 289.306 2.501 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000928709805 777964369 /nfs/dbraw/zinc/96/43/69/777964369.db2.gz FZITXAKHPUMYJD-FGWVZKOKSA-N 0 0 295.379 2.822 20 10 CFCDRN CCOCC(COCC)Oc1ccc(N(C)C)cc1 ZINC001227938618 777964840 /nfs/dbraw/zinc/96/48/40/777964840.db2.gz AMKYDKLCJWRQBV-UHFFFAOYSA-N 0 0 267.369 2.573 20 10 CFCDRN CCN1CCc2cc(O[C@H]3CCc4nccn4C3)ccc21 ZINC001233601695 778007749 /nfs/dbraw/zinc/00/77/49/778007749.db2.gz MALIRNPRZSJJTO-HNNXBMFYSA-N 0 0 283.375 2.659 20 10 CFCDRN CCN1CCc2cc(OC[C@@H](C)OC[C@H](C)OC)ccc21 ZINC001233601705 778008074 /nfs/dbraw/zinc/00/80/74/778008074.db2.gz MBHOFKHZLYJEMT-UONOGXRCSA-N 0 0 293.407 2.888 20 10 CFCDRN CCN1CCc2cc(O[C@H](C[N+](=O)[O-])C3CC3)ccc21 ZINC001233602115 778008466 /nfs/dbraw/zinc/00/84/66/778008466.db2.gz OIQRRJMHLABBBV-OAHLLOKOSA-N 0 0 276.336 2.503 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3CCCCC3=O)ccc21 ZINC001233601037 778008658 /nfs/dbraw/zinc/00/86/58/778008658.db2.gz GBRVYRSFDXFVJV-MRXNPFEDSA-N 0 0 259.349 2.960 20 10 CFCDRN CCC(CC)C(=O)NCc1ccc2c(c1)CCN2C ZINC000169813356 778155715 /nfs/dbraw/zinc/15/57/15/778155715.db2.gz ZHOLPCWYMQHJQG-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1nccs1 ZINC001234475060 778233735 /nfs/dbraw/zinc/23/37/35/778233735.db2.gz COOWUXXZMLSQNC-QMMMGPOBSA-N 0 0 279.317 2.897 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1OC1Cc2ccccc2C1 ZINC001234474026 778233763 /nfs/dbraw/zinc/23/37/63/778233763.db2.gz NBJZWBOJFJJZAQ-UHFFFAOYSA-N 0 0 284.311 2.847 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001234474016 778233947 /nfs/dbraw/zinc/23/39/47/778233947.db2.gz MYMCYMPQCREDIV-IMSIIYSGSA-N 0 0 260.289 2.644 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001234475013 778233963 /nfs/dbraw/zinc/23/39/63/778233963.db2.gz BUAFOBBPALNPTI-SNVBAGLBSA-N 0 0 294.200 2.722 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)C(F)(F)F ZINC001234474913 778234103 /nfs/dbraw/zinc/23/41/03/778234103.db2.gz ZNKVBOBMOAYYLB-LURJTMIESA-N 0 0 264.199 2.630 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccncc1 ZINC001234474831 778234161 /nfs/dbraw/zinc/23/41/61/778234161.db2.gz XQFBCYZWRFUDGL-SNVBAGLBSA-N 0 0 273.288 2.835 20 10 CFCDRN COc1ccc2ccc(O)c(CN3CCCO3)c2c1 ZINC001234519186 778241964 /nfs/dbraw/zinc/24/19/64/778241964.db2.gz RVZREAXAGHQERF-UHFFFAOYSA-N 0 0 259.305 2.691 20 10 CFCDRN COc1cccc(N)c1N[C@H](CCSC)C(C)(C)O ZINC001168212927 778254012 /nfs/dbraw/zinc/25/40/12/778254012.db2.gz LTMDNQFPWQKLPS-GFCCVEGCSA-N 0 0 284.425 2.582 20 10 CFCDRN Oc1cccc(Br)c1CN1C[C@@H](F)[C@H](F)C1 ZINC000714559264 778293181 /nfs/dbraw/zinc/29/31/81/778293181.db2.gz SZXZDBUBJCCGKP-NXEZZACHSA-N 0 0 292.123 2.647 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998808 778348629 /nfs/dbraw/zinc/34/86/29/778348629.db2.gz KAROFJJLPAUFJG-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234999404 778349220 /nfs/dbraw/zinc/34/92/20/778349220.db2.gz LOPXFBYFXJLXGP-HNNXBMFYSA-N 0 0 298.789 2.760 20 10 CFCDRN C[C@]1(F)CCN(Cc2cc(F)c(F)cc2O)C[C@H]1F ZINC001142509115 778395703 /nfs/dbraw/zinc/39/57/03/778395703.db2.gz XGTPDWGEADFLCZ-OLZOCXBDSA-N 0 0 277.261 2.942 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@@]1(C)O ZINC001142509088 778396005 /nfs/dbraw/zinc/39/60/05/778396005.db2.gz WMLXUMUXOPPASY-ZUZCIYMTSA-N 0 0 285.334 2.653 20 10 CFCDRN Cc1ccc(F)c(C(=O)NCc2ccc(O)cc2O)c1F ZINC001142533888 778403809 /nfs/dbraw/zinc/40/38/09/778403809.db2.gz VHJNPTSUZQOJPG-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCC(=O)CC2)c(O)c1 ZINC001235674628 778532475 /nfs/dbraw/zinc/53/24/75/778532475.db2.gz HDQJFGLZJYTJRI-UHFFFAOYSA-N 0 0 261.365 2.855 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCC(=O)[C@@H](F)C2)c(O)c1 ZINC001235677606 778534132 /nfs/dbraw/zinc/53/41/32/778534132.db2.gz FXXJJGUKUIJXBL-ZDUSSCGKSA-N 0 0 279.355 2.803 20 10 CFCDRN COC(=O)[C@H](C)N(C)Cc1ccc(C(C)(C)C)cc1O ZINC001235677102 778534308 /nfs/dbraw/zinc/53/43/08/778534308.db2.gz BBKSOJQPRGTWCE-NSHDSACASA-N 0 0 279.380 2.683 20 10 CFCDRN Cn1ncc2c1CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235685572 778536879 /nfs/dbraw/zinc/53/68/79/778536879.db2.gz QZXDUEGENOCEHP-UHFFFAOYSA-N 0 0 285.391 2.939 20 10 CFCDRN CN(Cc1ccccc1O)Cc1c(F)ccc(N)c1F ZINC001236040467 778661509 /nfs/dbraw/zinc/66/15/09/778661509.db2.gz DHIKHCJZTGJVGR-UHFFFAOYSA-N 0 0 278.302 2.885 20 10 CFCDRN CCCC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CC[NH2+]1 ZINC001236137986 778710769 /nfs/dbraw/zinc/71/07/69/778710769.db2.gz OFEQSROUEOGHCE-GFCCVEGCSA-N 0 0 284.350 2.634 20 10 CFCDRN O=C(N[C@H]1CCCC2(CC2)C1)c1cccc(O)c1O ZINC000696165052 778856795 /nfs/dbraw/zinc/85/67/95/778856795.db2.gz VYXMCQKWYGQKMM-JTQLQIEISA-N 0 0 261.321 2.550 20 10 CFCDRN O=c1cc(-c2cncc(O)c2)ccn1Cc1ccccc1 ZINC001236585179 778887206 /nfs/dbraw/zinc/88/72/06/778887206.db2.gz MHXPGEZXCOTPDY-UHFFFAOYSA-N 0 0 278.311 2.664 20 10 CFCDRN Cc1cc(Br)c(O)c(CN2CC(F)(F)C2)c1 ZINC001236673597 778908305 /nfs/dbraw/zinc/90/83/05/778908305.db2.gz NHUANHUPAALFMO-UHFFFAOYSA-N 0 0 292.123 2.914 20 10 CFCDRN CCCO[C@H]1CC[N@H+](Cc2ccc(CC)cc2O)C1 ZINC001236789815 778937723 /nfs/dbraw/zinc/93/77/23/778937723.db2.gz SDZIPKRFKJYKMJ-HNNXBMFYSA-N 0 0 263.381 2.956 20 10 CFCDRN COCC[N@H+](C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794781 778940360 /nfs/dbraw/zinc/94/03/60/778940360.db2.gz UPMMCOBMLYNDCD-UHFFFAOYSA-N 0 0 264.152 2.777 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCC(O)CC1 ZINC001236794845 778940944 /nfs/dbraw/zinc/94/09/44/778940944.db2.gz VVGHTMVUVDYNJV-UHFFFAOYSA-N 0 0 276.163 2.656 20 10 CFCDRN COc1cc(O)c(CN2CCC(=O)[C@H](C)CC2)c(Cl)c1 ZINC001236798427 778942494 /nfs/dbraw/zinc/94/24/94/778942494.db2.gz OEEGZQSRGGXTFZ-SNVBAGLBSA-N 0 0 297.782 2.855 20 10 CFCDRN COc1cc(O)c(CN2CCC[C@@H](F)C2)c(Cl)c1 ZINC001236799754 778943100 /nfs/dbraw/zinc/94/31/00/778943100.db2.gz PYDIQVNNOXHXBL-SECBINFHSA-N 0 0 273.735 2.988 20 10 CFCDRN COc1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c([O-])c1Cl ZINC001236802255 778944741 /nfs/dbraw/zinc/94/47/41/778944741.db2.gz QJEQNYPHMQTFTK-WDEREUQCSA-N 0 0 298.814 2.579 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1Cl ZINC001236802057 778944859 /nfs/dbraw/zinc/94/48/59/778944859.db2.gz NPGPGNMQDWPMOK-GHMZBOCLSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001236807225 778946916 /nfs/dbraw/zinc/94/69/16/778946916.db2.gz DTXYVWHVQBGTSC-CXAGYDPISA-N 0 0 293.407 2.692 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCc3cc(O)ccc3C2)c(O)c1 ZINC001236809280 778949125 /nfs/dbraw/zinc/94/91/25/778949125.db2.gz QFZPLVXEPPMDNV-UHFFFAOYSA-N 0 0 299.370 2.973 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2CF)c([O-])c1Cl ZINC001236818544 778951959 /nfs/dbraw/zinc/95/19/59/778951959.db2.gz NTVBPOOKAYTIHS-SNVBAGLBSA-N 0 0 273.735 2.988 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCc3nn(C)cc3C2)c(O)c1 ZINC001237048074 778998300 /nfs/dbraw/zinc/99/83/00/778998300.db2.gz COVIWAVVSYBVIO-UHFFFAOYSA-N 0 0 285.391 2.807 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001237049072 778999109 /nfs/dbraw/zinc/99/91/09/778999109.db2.gz CXZUMPUJRJZMNQ-KRWDZBQOSA-N 0 0 291.391 2.936 20 10 CFCDRN CC(C)c1ccc(C[N@H+](C)Cc2cnccn2)c(O)c1 ZINC001237049794 779000757 /nfs/dbraw/zinc/00/07/57/779000757.db2.gz TYZBRWBBJXMLJN-UHFFFAOYSA-N 0 0 271.364 2.938 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001237050602 779000773 /nfs/dbraw/zinc/00/07/73/779000773.db2.gz SALQRQHQSMJEBF-SUMWQHHRSA-N 0 0 293.407 2.774 20 10 CFCDRN CC(C)c1ccc(CN2CCc3c(ncn3C)C2)c(O)c1 ZINC001237054534 779002547 /nfs/dbraw/zinc/00/25/47/779002547.db2.gz CAEWJPIOHVNEII-UHFFFAOYSA-N 0 0 285.391 2.807 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCn2ccnc2C1 ZINC001237079679 779007861 /nfs/dbraw/zinc/00/78/61/779007861.db2.gz NSDPETMVARKBRO-UHFFFAOYSA-N 0 0 298.173 2.911 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1C[C@@H](F)[C@H](F)C1 ZINC001237122419 779012820 /nfs/dbraw/zinc/01/28/20/779012820.db2.gz UXWJNPSYZGDHFY-RKDXNWHRSA-N 0 0 265.662 2.677 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1CCSCC1 ZINC001237117471 779015792 /nfs/dbraw/zinc/01/57/92/779015792.db2.gz PPCMTQNTZHNVRT-UHFFFAOYSA-N 0 0 293.310 2.840 20 10 CFCDRN C[C@H]1COCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237120217 779018007 /nfs/dbraw/zinc/01/80/07/779018007.db2.gz OGILDXKVBDGIAF-VIFPVBQESA-N 0 0 291.269 2.512 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2ccccc2O)c(F)n1 ZINC001233118546 779018568 /nfs/dbraw/zinc/01/85/68/779018568.db2.gz MBTOMYUBQGQHRZ-UHFFFAOYSA-N 0 0 289.354 2.624 20 10 CFCDRN C[N@H+](Cc1c(O)ccc(F)c1Cl)[C@H]1CC[C@H](O)CC1 ZINC001237124764 779018764 /nfs/dbraw/zinc/01/87/64/779018764.db2.gz SBWRIQBZDMRCEQ-MGCOHNPYSA-N 0 0 287.762 2.920 20 10 CFCDRN CN(Cc1ccncn1)Cc1c(O)ccc(F)c1Cl ZINC001237127687 779021898 /nfs/dbraw/zinc/02/18/98/779021898.db2.gz IKXSVPKFZPCYRY-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN Oc1cccc2c1CN(Cc1cc3ccccn3n1)CC2 ZINC001237448656 779109371 /nfs/dbraw/zinc/10/93/71/779109371.db2.gz DELPMWDEODWHRN-UHFFFAOYSA-N 0 0 279.343 2.598 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001237484305 779117939 /nfs/dbraw/zinc/11/79/39/779117939.db2.gz BCJZFZDNLYDOPF-MRXNPFEDSA-N 0 0 263.381 2.685 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1CO ZINC001237618396 779145456 /nfs/dbraw/zinc/14/54/56/779145456.db2.gz ZSLDZUHZBBYQLE-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN CC(C)[N@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC001237620698 779145488 /nfs/dbraw/zinc/14/54/88/779145488.db2.gz OWDSQJJDXMMBPT-UHFFFAOYSA-N 0 0 275.751 2.778 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])[C@H]2C1 ZINC001237622291 779145990 /nfs/dbraw/zinc/14/59/90/779145990.db2.gz PRPODTLCAOYCGQ-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN CCOC(=O)CC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622176 779146065 /nfs/dbraw/zinc/14/60/65/779146065.db2.gz NZVXPOMBALEYNU-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN C[C@@]1(O)CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617993 779146151 /nfs/dbraw/zinc/14/61/51/779146151.db2.gz WMJSXBRZSKCDPQ-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CCN(Cc1cc(OC)cc(OC)c1O)CC(F)(F)F ZINC001237678094 779159988 /nfs/dbraw/zinc/15/99/88/779159988.db2.gz KFKCPHICUAKUCL-UHFFFAOYSA-N 0 0 293.285 2.794 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC23COC3)c1O ZINC001237687637 779160997 /nfs/dbraw/zinc/16/09/97/779160997.db2.gz PJTOYMNKJYBBFT-UHFFFAOYSA-N 0 0 267.756 2.719 20 10 CFCDRN CN1CCC([N@H+](C)Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804968 779182669 /nfs/dbraw/zinc/18/26/69/779182669.db2.gz CEASAONTQBSPED-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CO[C@@H](C)C1C[NH+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803667 779183512 /nfs/dbraw/zinc/18/35/12/779183512.db2.gz UCOZUHPQGZNWDM-QMMMGPOBSA-N 0 0 273.735 2.651 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001237933735 779209002 /nfs/dbraw/zinc/20/90/02/779209002.db2.gz GDLNAVGSIQQVPH-JTQLQIEISA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1O ZINC001237933448 779210018 /nfs/dbraw/zinc/21/00/18/779210018.db2.gz BWLWMRFWIWFWSJ-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001237933650 779210236 /nfs/dbraw/zinc/21/02/36/779210236.db2.gz FJCFQTYAVPHAJY-OTYXRUKQSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237934626 779211070 /nfs/dbraw/zinc/21/10/70/779211070.db2.gz LRLLIGUYXFIBEU-KOLCDFICSA-N 0 0 285.746 2.653 20 10 CFCDRN O=C1CCCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237939285 779211214 /nfs/dbraw/zinc/21/12/14/779211214.db2.gz VHGYJVVCQRBYFW-UHFFFAOYSA-N 0 0 271.719 2.740 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)[C@@H](C)CO1 ZINC001237940193 779211617 /nfs/dbraw/zinc/21/16/17/779211617.db2.gz ITUVHLFBHLCPJY-DTWKUNHWSA-N 0 0 273.735 2.794 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCCC12COC2 ZINC001237937734 779212029 /nfs/dbraw/zinc/21/20/29/779212029.db2.gz UJOGSZZJJIVVOW-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC[C@@]12CCOC2 ZINC001237941426 779212867 /nfs/dbraw/zinc/21/28/67/779212867.db2.gz VPWBJYSMXIJPEV-ZDUSSCGKSA-N 0 0 271.719 2.550 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]12 ZINC001237943189 779213378 /nfs/dbraw/zinc/21/33/78/779213378.db2.gz LGONNSFEALOVOD-MWLCHTKSSA-N 0 0 297.757 2.986 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001238055751 779240914 /nfs/dbraw/zinc/24/09/14/779240914.db2.gz DEEGWYDAKGWUAX-HNNXBMFYSA-N 0 0 285.334 2.526 20 10 CFCDRN Cc1cc(F)cc(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001238058800 779241205 /nfs/dbraw/zinc/24/12/05/779241205.db2.gz VUULAVJEPXNAGU-RYUDHWBXSA-N 0 0 259.271 2.722 20 10 CFCDRN Cc1cc(F)cc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC001238065671 779244169 /nfs/dbraw/zinc/24/41/69/779244169.db2.gz XVXCJNXYMYGGOX-UHFFFAOYSA-N 0 0 283.343 2.613 20 10 CFCDRN Cc1cc(F)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1O ZINC001238065827 779244715 /nfs/dbraw/zinc/24/47/15/779244715.db2.gz BKINSFYFCKAQSS-LLVKDONJSA-N 0 0 293.260 2.603 20 10 CFCDRN CC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(C)c1O ZINC001238068799 779245120 /nfs/dbraw/zinc/24/51/20/779245120.db2.gz FZYOOMMRGMZXKY-AWEZNQCLSA-N 0 0 265.328 2.783 20 10 CFCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)[C@H]1C ZINC001238071427 779246531 /nfs/dbraw/zinc/24/65/31/779246531.db2.gz XGBDOKDVUOTCAS-SMDDNHRTSA-N 0 0 295.354 2.613 20 10 CFCDRN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238071131 779246683 /nfs/dbraw/zinc/24/66/83/779246683.db2.gz SOHJKGKKZRKQFT-INIZCTEOSA-N 0 0 295.354 2.615 20 10 CFCDRN CCN(Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236007669 779430284 /nfs/dbraw/zinc/43/02/84/779430284.db2.gz AHRURKQUZFGSEY-GFCCVEGCSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237950250 779726672 /nfs/dbraw/zinc/72/66/72/779726672.db2.gz RFPRKLSFWWXJBT-LKFCYVNXSA-N 0 0 285.746 2.796 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn(Cc2ccccc2)c1 ZINC001240001599 779905072 /nfs/dbraw/zinc/90/50/72/779905072.db2.gz UKSJMEHPHSYYBA-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN CCCn1cc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001240133684 779958660 /nfs/dbraw/zinc/95/86/60/779958660.db2.gz APPOJSWVLWAYIH-UHFFFAOYSA-N 0 0 294.358 2.565 20 10 CFCDRN c1snnc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC001212362055 779994266 /nfs/dbraw/zinc/99/42/66/779994266.db2.gz LGQABDTXNZYATJ-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN CCOc1cccc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405310 780094098 /nfs/dbraw/zinc/09/40/98/780094098.db2.gz NIZMJGNKEFSDCU-UHFFFAOYSA-N 0 0 288.332 2.962 20 10 CFCDRN Cc1ncc(-c2ccc3ccn(C)c3c2)cc1C(N)=O ZINC001240576934 780267016 /nfs/dbraw/zinc/26/70/16/780267016.db2.gz PEJXMIGIVLLIFI-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cncc(C(C)(C)O)c3)cc21 ZINC001240668960 780342050 /nfs/dbraw/zinc/34/20/50/780342050.db2.gz LZIKQRXQGPUCAL-UHFFFAOYSA-N 0 0 294.354 2.828 20 10 CFCDRN CN(C)c1ccc(-c2cnc3c(c2)CCCN3)cc1 ZINC001240915939 780519094 /nfs/dbraw/zinc/51/90/94/780519094.db2.gz CPZGYVADIHUKJL-UHFFFAOYSA-N 0 0 253.349 2.815 20 10 CFCDRN Cc1c[nH]c2ncc(-c3ncnc4c3ccn4C)cc12 ZINC001240942757 780537366 /nfs/dbraw/zinc/53/73/66/780537366.db2.gz AMRYDMKGPZFTEI-UHFFFAOYSA-N 0 0 263.304 2.820 20 10 CFCDRN Cn1ccc(-c2cncc(-c3ccc(F)cc3)n2)cc1=O ZINC001240983368 780571179 /nfs/dbraw/zinc/57/11/79/780571179.db2.gz GXHIYDDAGIOMFF-UHFFFAOYSA-N 0 0 281.290 2.648 20 10 CFCDRN Cc1nc(OC(C)C)ccc1-c1ccn(C)c(=O)c1 ZINC001240991655 780578666 /nfs/dbraw/zinc/57/86/66/780578666.db2.gz QBGFUEVLBNNLLR-UHFFFAOYSA-N 0 0 258.321 2.543 20 10 CFCDRN O=c1cc(-c2ccc[nH]c2=O)ccn1Cc1ccccc1F ZINC001241127526 780654469 /nfs/dbraw/zinc/65/44/69/780654469.db2.gz GMSJJUMAMKCOKK-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN COC(=O)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241352500 780804356 /nfs/dbraw/zinc/80/43/56/780804356.db2.gz WUVSHFMKSBYBHF-UHFFFAOYSA-N 0 0 295.342 2.557 20 10 CFCDRN COc1ncc(C2=CCN(c3ccccc3)CC2)nc1OC ZINC001241354629 780805869 /nfs/dbraw/zinc/80/58/69/780805869.db2.gz HKPDNPSYBKCLOE-UHFFFAOYSA-N 0 0 297.358 2.788 20 10 CFCDRN COC1(C)CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137831821 780866931 /nfs/dbraw/zinc/86/69/31/780866931.db2.gz OWBNWWAQJQUSSZ-UHFFFAOYSA-N 0 0 253.317 2.532 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000703022906 780977395 /nfs/dbraw/zinc/97/73/95/780977395.db2.gz PZNBXSKUMQSDLE-UHFFFAOYSA-N 0 0 297.782 2.717 20 10 CFCDRN Cc1cnc(C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703230225 780999544 /nfs/dbraw/zinc/99/95/44/780999544.db2.gz QERRNQLUBGHRAR-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN CSCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259849 781000113 /nfs/dbraw/zinc/00/01/13/781000113.db2.gz JTQHZMZWSNIWNO-MRVPVSSYSA-N 0 0 261.337 2.902 20 10 CFCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703272878 781001727 /nfs/dbraw/zinc/00/17/27/781001727.db2.gz IDNAZHSJJMASDM-GXSJLCMTSA-N 0 0 271.307 2.718 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703257725 781005137 /nfs/dbraw/zinc/00/51/37/781005137.db2.gz FDWWZIITKRKKEL-RTHLEPHNSA-N 0 0 271.307 2.574 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC000703380967 781013070 /nfs/dbraw/zinc/01/30/70/781013070.db2.gz SMMSNHYIBVRROP-GHMZBOCLSA-N 0 0 271.307 2.574 20 10 CFCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000703449076 781015154 /nfs/dbraw/zinc/01/51/54/781015154.db2.gz YGZWLFJEZSWIAK-CMPLNLGQSA-N 0 0 283.318 2.527 20 10 CFCDRN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703480452 781016220 /nfs/dbraw/zinc/01/62/20/781016220.db2.gz BFWPBDVRDVTJKC-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN CC(C)(C)OCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703418453 781016395 /nfs/dbraw/zinc/01/63/95/781016395.db2.gz YYCPPQOGHDBWCI-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN CN(C)C1(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703502598 781017759 /nfs/dbraw/zinc/01/77/59/781017759.db2.gz OVMDVGJUQYNZCA-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN CSc1ncc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001241631454 781032090 /nfs/dbraw/zinc/03/20/90/781032090.db2.gz KEJDKZPTXOBLOU-UHFFFAOYSA-N 0 0 283.356 2.717 20 10 CFCDRN COc1cc(C)c(-c2nc(C)nc3c2ccn3C)cn1 ZINC001241754878 781112516 /nfs/dbraw/zinc/11/25/16/781112516.db2.gz VZICLBJOVRJREY-UHFFFAOYSA-N 0 0 268.320 2.656 20 10 CFCDRN Cc1nc([C@H]2CCCCN2Cc2c(O)cccc2F)no1 ZINC001137837478 781139973 /nfs/dbraw/zinc/13/99/73/781139973.db2.gz INEXSHINOFFOJB-CYBMUJFWSA-N 0 0 291.326 2.950 20 10 CFCDRN Cc1c(C(N)=O)cncc1-c1cccc2c1ccn2C ZINC001241823172 781144829 /nfs/dbraw/zinc/14/48/29/781144829.db2.gz WCFFAPSSGCMILR-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN C[C@H]1C[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706829980 781205163 /nfs/dbraw/zinc/20/51/63/781205163.db2.gz JJPWFMQXSWRSNY-DTWKUNHWSA-N 0 0 270.170 2.900 20 10 CFCDRN Nc1ccc(CC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC000706934977 781217322 /nfs/dbraw/zinc/21/73/22/781217322.db2.gz JTJSVINDWIQXKW-ZDUSSCGKSA-N 0 0 258.365 2.674 20 10 CFCDRN CNc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001242073291 781265887 /nfs/dbraw/zinc/26/58/87/781265887.db2.gz PGIYMWULQCEKRG-UHFFFAOYSA-N 0 0 265.316 2.642 20 10 CFCDRN Cc1conc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000708223423 781267774 /nfs/dbraw/zinc/26/77/74/781267774.db2.gz ZDVZLGHHSITTGQ-GFCCVEGCSA-N 0 0 259.353 2.900 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC000708394408 781272109 /nfs/dbraw/zinc/27/21/09/781272109.db2.gz ZAYMDYAFXJRKDQ-ZDUSSCGKSA-N 0 0 286.366 2.736 20 10 CFCDRN COCC(C)(C)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708383560 781272266 /nfs/dbraw/zinc/27/22/66/781272266.db2.gz MJQJTKSDBZTEQD-UHFFFAOYSA-N 0 0 259.296 2.527 20 10 CFCDRN CC(C)(O)C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708391930 781272319 /nfs/dbraw/zinc/27/23/19/781272319.db2.gz YROOKBBPZIFZEW-UHFFFAOYSA-N 0 0 273.323 2.557 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn(Cc2cccs2)c1 ZINC001242090108 781274681 /nfs/dbraw/zinc/27/46/81/781274681.db2.gz YVDLYCDRTWHADV-UHFFFAOYSA-N 0 0 295.371 2.942 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000708455108 781275311 /nfs/dbraw/zinc/27/53/11/781275311.db2.gz SSOOKYQJQNXCLY-JTQLQIEISA-N 0 0 271.307 2.577 20 10 CFCDRN CC1(C)CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708495842 781291375 /nfs/dbraw/zinc/29/13/75/781291375.db2.gz FYNOSVIFEDEBBR-NSHDSACASA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1nc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000708549263 781292903 /nfs/dbraw/zinc/29/29/03/781292903.db2.gz NTEZEZYYARAIPP-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCCCC1 ZINC000708558562 781294053 /nfs/dbraw/zinc/29/40/53/781294053.db2.gz JGBCLXOOYXANLP-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccns1 ZINC000709931041 781322780 /nfs/dbraw/zinc/32/27/80/781322780.db2.gz AMJDDAKRDNMCBL-UHFFFAOYSA-N 0 0 268.769 2.834 20 10 CFCDRN CC1(C)CC[C@H](CNC(=O)Nc2ccc(N)cc2)OC1 ZINC000711353174 781414444 /nfs/dbraw/zinc/41/44/44/781414444.db2.gz MXIOTAXXGUAIMX-CYBMUJFWSA-N 0 0 277.368 2.596 20 10 CFCDRN COc1ncc(-c2ccc3ccc(=O)n(C)c3c2)cc1C ZINC001242432264 781497734 /nfs/dbraw/zinc/49/77/34/781497734.db2.gz CXSWEUKBGHMRBV-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn(C(C)C)c2)cc1=O ZINC001242437241 781503581 /nfs/dbraw/zinc/50/35/81/781503581.db2.gz MLMJFLABKKRHLT-UHFFFAOYSA-N 0 0 259.353 2.949 20 10 CFCDRN CN(C)c1cncc(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001242528999 781570066 /nfs/dbraw/zinc/57/00/66/781570066.db2.gz QYZQJQWWDUYRPT-UHFFFAOYSA-N 0 0 279.343 2.667 20 10 CFCDRN CC(C)Cn1ccc(-c2cnc(C(F)(F)F)nc2)cc1=O ZINC001242664847 781682088 /nfs/dbraw/zinc/68/20/88/781682088.db2.gz NXNFLLCQNMXPCO-UHFFFAOYSA-N 0 0 297.280 2.980 20 10 CFCDRN Cc1ncc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC001118990868 781736988 /nfs/dbraw/zinc/73/69/88/781736988.db2.gz QPPBUPULVQUZCG-MRVPVSSYSA-N 0 0 292.360 2.662 20 10 CFCDRN CCC(O)(CC)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276704831 282309922 /nfs/dbraw/zinc/30/99/22/282309922.db2.gz URXKDZSDGNSKMW-LLVKDONJSA-N 0 0 296.367 2.892 20 10 CFCDRN Cc1cc(Sc2nccs2)ncc1[N+](=O)[O-] ZINC000074742676 347029645 /nfs/dbraw/zinc/02/96/45/347029645.db2.gz WBLPRTQCCYTYSN-UHFFFAOYSA-N 0 0 253.308 2.906 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041405245 346351084 /nfs/dbraw/zinc/35/10/84/346351084.db2.gz NYEULJIEFJWDRE-HIFRSBDPSA-N 0 0 287.407 2.742 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000051374596 346503174 /nfs/dbraw/zinc/50/31/74/346503174.db2.gz GLOVEDJISZRVBU-GJZGRUSLSA-N 0 0 282.343 2.549 20 10 CFCDRN COc1ccc(N2CCN(C/C=C/Cl)CC2)cc1 ZINC000054145925 346560946 /nfs/dbraw/zinc/56/09/46/346560946.db2.gz AWBZKOYFLDMWKL-FARCUNLSSA-N 0 0 266.772 2.570 20 10 CFCDRN Cc1noc(C)c1CCC(=O)N(C)Cc1ccccc1O ZINC000053915164 346554659 /nfs/dbraw/zinc/55/46/59/346554659.db2.gz GNHPWRGBLZXSSZ-UHFFFAOYSA-N 0 0 288.347 2.588 20 10 CFCDRN CC(C)CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000065984990 346745768 /nfs/dbraw/zinc/74/57/68/346745768.db2.gz WLHRYBQELQNZNY-UHFFFAOYSA-N 0 0 263.385 2.550 20 10 CFCDRN CC[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000066042822 346746571 /nfs/dbraw/zinc/74/65/71/346746571.db2.gz HIQAJFQGSSEUQS-OAHLLOKOSA-N 0 0 278.396 2.526 20 10 CFCDRN Cc1nc(Cl)cc(N(C)Cc2ccccc2O)n1 ZINC000089635594 347524079 /nfs/dbraw/zinc/52/40/79/347524079.db2.gz SWJLTSDPRXCXDP-UHFFFAOYSA-N 0 0 263.728 2.780 20 10 CFCDRN Cc1ccnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000092925823 347652262 /nfs/dbraw/zinc/65/22/62/347652262.db2.gz KCMFUGLLGFCIRT-HNNXBMFYSA-N 0 0 299.374 2.676 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ncccc1C ZINC000492007675 348631330 /nfs/dbraw/zinc/63/13/30/348631330.db2.gz XTQWAERFKHVUGB-VOTSOKGWSA-N 0 0 267.332 2.770 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224869734 539671363 /nfs/dbraw/zinc/67/13/63/539671363.db2.gz BGMSTSIHKUAHIE-GFCCVEGCSA-N 0 0 257.761 2.542 20 10 CFCDRN CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(F)cc1[O-] ZINC000287586809 540120201 /nfs/dbraw/zinc/12/02/01/540120201.db2.gz RJSRPPAMFBCRET-XCLFUZPHSA-N 0 0 299.411 2.873 20 10 CFCDRN CN1CCc2cc([C@H]3Nc4ccccc4C(=O)N3C)ccc21 ZINC000178892826 283171980 /nfs/dbraw/zinc/17/19/80/283171980.db2.gz QGUIQPDTJKZKOC-KRWDZBQOSA-N 0 0 293.370 2.875 20 10 CFCDRN Cc1cnc(NCCCSc2nccs2)nc1 ZINC000301818778 540267617 /nfs/dbraw/zinc/26/76/17/540267617.db2.gz IQGAWHYOOUFSOE-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276902529 295975234 /nfs/dbraw/zinc/97/52/34/295975234.db2.gz JELGUOOGYRAILO-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398335 299306941 /nfs/dbraw/zinc/30/69/41/299306941.db2.gz MLSSQRRLXIPPPX-JQWIXIFHSA-N 0 0 280.324 2.520 20 10 CFCDRN Cc1cc(/C=C/C(=O)N(C)CCO)c(C)n1-c1ccccc1 ZINC000298418472 200423592 /nfs/dbraw/zinc/42/35/92/200423592.db2.gz FQIFYMGDZGVBLQ-MDZDMXLPSA-N 0 0 298.386 2.558 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273540868 296116273 /nfs/dbraw/zinc/11/62/73/296116273.db2.gz YEGQJABGCHHKSR-WDEREUQCSA-N 0 0 296.367 2.748 20 10 CFCDRN COC(=O)CCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000049891197 373327925 /nfs/dbraw/zinc/32/79/25/373327925.db2.gz PXNZCCAFOJOBLD-UHFFFAOYSA-N 0 0 290.388 2.982 20 10 CFCDRN CC1(C)C(C(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000091481664 375050604 /nfs/dbraw/zinc/05/06/04/375050604.db2.gz HOSKUIZKAZSORU-UHFFFAOYSA-N 0 0 260.381 2.610 20 10 CFCDRN COCCN(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000092645529 375132799 /nfs/dbraw/zinc/13/27/99/375132799.db2.gz KOSIOEGCNNTIFA-UHFFFAOYSA-N 0 0 290.329 2.763 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCOCc2ccccc21 ZINC000493842225 246721969 /nfs/dbraw/zinc/72/19/69/246721969.db2.gz YUWRSRJWOQUBRD-AATRIKPKSA-N 0 0 286.356 2.720 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H](c3ccco3)C2)cc1 ZINC000093841122 375321058 /nfs/dbraw/zinc/32/10/58/375321058.db2.gz LQQWNHSGDAMTNY-QGZVFWFLSA-N 0 0 286.375 2.919 20 10 CFCDRN COc1cccc(CN2CCO[C@@H](c3ccco3)C2)c1O ZINC000093841655 375321353 /nfs/dbraw/zinc/32/13/53/375321353.db2.gz LIVNJJMSXSBHHO-OAHLLOKOSA-N 0 0 289.331 2.567 20 10 CFCDRN CCOc1cccc(CN(C)Cc2nccs2)c1O ZINC000093582369 375270612 /nfs/dbraw/zinc/27/06/12/375270612.db2.gz PENWDWGYJIFJFF-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCCC2)c1[O-] ZINC000101590275 375644471 /nfs/dbraw/zinc/64/44/71/375644471.db2.gz NRCLWDHNXRUOGA-UHFFFAOYSA-N 0 0 256.689 2.550 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CSCCS1 ZINC000124588014 377066948 /nfs/dbraw/zinc/06/69/48/377066948.db2.gz BBEVZSAMJNZQQY-LBPRGKRZSA-N 0 0 297.445 2.589 20 10 CFCDRN C[NH+](C)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000124586709 377067007 /nfs/dbraw/zinc/06/70/07/377067007.db2.gz JTMXNOICOFTPJO-LBPRGKRZSA-N 0 0 268.788 2.572 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000124588697 377067349 /nfs/dbraw/zinc/06/73/49/377067349.db2.gz FQJYMXJKAKCKKS-JTQLQIEISA-N 0 0 255.745 2.656 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCOC1 ZINC000124593037 377068345 /nfs/dbraw/zinc/06/83/45/377068345.db2.gz FKAQODPEWNHAOD-NSHDSACASA-N 0 0 269.772 2.904 20 10 CFCDRN COC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124730762 377081681 /nfs/dbraw/zinc/08/16/81/377081681.db2.gz HETWYOXBIYPXCA-AWEZNQCLSA-N 0 0 280.387 2.750 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)C3(C)CC3)CC2)cc1 ZINC000125279346 377136313 /nfs/dbraw/zinc/13/63/13/377136313.db2.gz UZJRPUMYOOHMCY-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](c2ccccc2)C1 ZINC000126376545 377223809 /nfs/dbraw/zinc/22/38/09/377223809.db2.gz KEJJLOLHEQTWGR-CYBMUJFWSA-N 0 0 283.327 2.728 20 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COc1ccc(N(C)CCCOC(C)C)c(OC)c1 ZINC000131592515 377734174 /nfs/dbraw/zinc/73/41/74/377734174.db2.gz JCFLLINIOQAYKE-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN COc1ccnc(CN(C)c2ccc(OC)cc2OC)c1 ZINC000131958407 377783486 /nfs/dbraw/zinc/78/34/86/377783486.db2.gz HEZHAIXPAHLSSH-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCCO1 ZINC000132959622 377890773 /nfs/dbraw/zinc/89/07/73/377890773.db2.gz ZFYOGIBWOQXIMA-SNVBAGLBSA-N 0 0 255.745 2.656 20 10 CFCDRN C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134926082 378065700 /nfs/dbraw/zinc/06/57/00/378065700.db2.gz MNBDASFTSWRPQP-BQBZGAKWSA-N 0 0 264.152 2.730 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC2(C)C)cc1 ZINC000152605926 378432303 /nfs/dbraw/zinc/43/23/03/378432303.db2.gz BBIAFSLKLTUDGG-CQSZACIVSA-N 0 0 260.381 2.757 20 10 CFCDRN CCCCSCCC(=O)NCc1cccc(OC)c1O ZINC000155128921 378613012 /nfs/dbraw/zinc/61/30/12/378613012.db2.gz WKDUCMVAPCIIJB-UHFFFAOYSA-N 0 0 297.420 2.940 20 10 CFCDRN CCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000334617416 379634019 /nfs/dbraw/zinc/63/40/19/379634019.db2.gz VXYSMZZZQYNPHG-UHFFFAOYSA-N 0 0 259.353 2.648 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccccc1 ZINC000173188103 379708101 /nfs/dbraw/zinc/70/81/01/379708101.db2.gz GINKXEJLMQWKPX-UHFFFAOYSA-N 0 0 296.370 2.721 20 10 CFCDRN C[C@@H]1CC[C@@H](CCC(=O)N(C)Cc2ccccc2O)O1 ZINC000175503776 380077030 /nfs/dbraw/zinc/07/70/30/380077030.db2.gz RRZXKGGMEBXPIP-OCCSQVGLSA-N 0 0 277.364 2.698 20 10 CFCDRN Cn1cncc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000177021249 380294885 /nfs/dbraw/zinc/29/48/85/380294885.db2.gz VBKPBFQPFIKLAF-UHFFFAOYSA-N 0 0 293.317 2.974 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCCc3occc32)c(O)c1O ZINC000179415837 380541980 /nfs/dbraw/zinc/54/19/80/380541980.db2.gz GAOIKLBGUIVNSB-LBPRGKRZSA-N 0 0 287.315 2.807 20 10 CFCDRN CC(C)N(CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000179580825 380560972 /nfs/dbraw/zinc/56/09/72/380560972.db2.gz AGJZJGZUKGXKSV-UHFFFAOYSA-N 0 0 279.380 2.944 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179875099 380590397 /nfs/dbraw/zinc/59/03/97/380590397.db2.gz OOAQJIFXKZTODD-BBRMVZONSA-N 0 0 296.370 2.848 20 10 CFCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1O ZINC000180760466 380696281 /nfs/dbraw/zinc/69/62/81/380696281.db2.gz HWUHIHKDVJHSAS-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN CC(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180750114 380696651 /nfs/dbraw/zinc/69/66/51/380696651.db2.gz CMNIUNLIWQGHCZ-XBXARRHUSA-N 0 0 261.321 2.510 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnc(C)o2)cc1 ZINC000181500303 380809530 /nfs/dbraw/zinc/80/95/30/380809530.db2.gz RBYYUEOJRWSBDO-UHFFFAOYSA-N 0 0 260.341 2.836 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)cn2)cc1 ZINC000181885716 380925704 /nfs/dbraw/zinc/92/57/04/380925704.db2.gz WKPZZAJXRFILGV-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000287694887 380909770 /nfs/dbraw/zinc/90/97/70/380909770.db2.gz WVGRUCCASQXQOE-LZWOXQAQSA-N 0 0 297.370 2.766 20 10 CFCDRN CC(C)SCCNC(=O)N(C)Cc1ccccc1O ZINC000287943874 380979006 /nfs/dbraw/zinc/97/90/06/380979006.db2.gz GCIGNSLBNFSBDI-UHFFFAOYSA-N 0 0 282.409 2.675 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000288379618 381012259 /nfs/dbraw/zinc/01/22/59/381012259.db2.gz FVXFHULIXWAPAM-SNVBAGLBSA-N 0 0 282.365 2.533 20 10 CFCDRN CCCC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000182434200 381088878 /nfs/dbraw/zinc/08/88/78/381088878.db2.gz PSCFVGJPABHBAT-FZMZJTMJSA-N 0 0 295.379 2.783 20 10 CFCDRN CC(C)(Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182527015 381107322 /nfs/dbraw/zinc/10/73/22/381107322.db2.gz DHBIYZPXRQYTKY-UHFFFAOYSA-N 0 0 299.370 2.983 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(F)cc1[O-] ZINC000295838003 381108030 /nfs/dbraw/zinc/10/80/30/381108030.db2.gz AIPWVNLXOZUNIV-VHSXEESVSA-N 0 0 255.333 2.731 20 10 CFCDRN CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295976978 381194753 /nfs/dbraw/zinc/19/47/53/381194753.db2.gz MZCTZPYKPVXYLY-DZGCQCFKSA-N 0 0 274.408 2.701 20 10 CFCDRN CC(C)[N@H+](Cc1cccc(Cl)c1[O-])C1COC1 ZINC000295985487 381198991 /nfs/dbraw/zinc/19/89/91/381198991.db2.gz JXKHLKCGWWPMCS-UHFFFAOYSA-N 0 0 255.745 2.655 20 10 CFCDRN CCC[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291326 381250913 /nfs/dbraw/zinc/25/09/13/381250913.db2.gz OWQBNTIOEYPWOW-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)o1 ZINC000183425301 381268843 /nfs/dbraw/zinc/26/88/43/381268843.db2.gz ZUIBPBCPUAXSES-SECBINFHSA-N 0 0 289.331 2.669 20 10 CFCDRN CC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183420937 381269480 /nfs/dbraw/zinc/26/94/80/381269480.db2.gz CROIFYXSKJGAIA-RYUDHWBXSA-N 0 0 279.380 2.827 20 10 CFCDRN CCC[C@@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291307 381250175 /nfs/dbraw/zinc/25/01/75/381250175.db2.gz OWQBNTIOEYPWOW-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN Cc1ccsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183454026 381273363 /nfs/dbraw/zinc/27/33/63/381273363.db2.gz JKTCPPPTNZWWDZ-JTQLQIEISA-N 0 0 291.372 2.829 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC=CCC1 ZINC000183445982 381273416 /nfs/dbraw/zinc/27/34/16/381273416.db2.gz ONBMVSMKQHERIL-DGCLKSJQSA-N 0 0 275.348 2.501 20 10 CFCDRN COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000183446437 381273792 /nfs/dbraw/zinc/27/37/92/381273792.db2.gz PZQRHLPJOVFIEH-AWEZNQCLSA-N 0 0 297.782 2.763 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCCCC2(F)F)c(O)c1O ZINC000296154326 381278597 /nfs/dbraw/zinc/27/85/97/381278597.db2.gz SIGYMLYWBGOQNZ-JTQLQIEISA-N 0 0 299.317 2.962 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H](O)C(F)F ZINC000296269977 381326399 /nfs/dbraw/zinc/32/63/99/381326399.db2.gz DOVGKQOUZJSQMV-ZKQGETEISA-N 0 0 295.276 2.726 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000296321528 381347036 /nfs/dbraw/zinc/34/70/36/381347036.db2.gz GUQKYQJAXAUHDE-GMXVVIOVSA-N 0 0 291.313 2.977 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)C(F)F ZINC000296535857 381437804 /nfs/dbraw/zinc/43/78/04/381437804.db2.gz QRTOAQPHYUYFKT-VIRWGQHYSA-N 0 0 277.286 2.587 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000184821099 381483545 /nfs/dbraw/zinc/48/35/45/381483545.db2.gz KJDYAVBCJUMIKG-LSDHHAIUSA-N 0 0 260.381 2.661 20 10 CFCDRN CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184701166 381463538 /nfs/dbraw/zinc/46/35/38/381463538.db2.gz IIPFDVBUMYCOBN-LLVKDONJSA-N 0 0 299.798 2.913 20 10 CFCDRN CC/C=C/C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000296656970 381493280 /nfs/dbraw/zinc/49/32/80/381493280.db2.gz ZLEFOJLEHMLHCF-MVIFTORASA-N 0 0 263.337 2.796 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CC2 ZINC000297144870 381552983 /nfs/dbraw/zinc/55/29/83/381552983.db2.gz ZRLPZHHHYPYUFT-LSDHHAIUSA-N 0 0 295.386 2.643 20 10 CFCDRN CCOCc1cc(CNCC(F)F)ccc1OC ZINC000298048586 381577051 /nfs/dbraw/zinc/57/70/51/381577051.db2.gz IJUDPWUXVIFSHK-UHFFFAOYSA-N 0 0 259.296 2.586 20 10 CFCDRN Cc1noc(C(C)C)c1C(=O)NCc1ccc(N)cc1 ZINC000297228169 381553739 /nfs/dbraw/zinc/55/37/39/381553739.db2.gz OOHQNDIGLWEZHR-UHFFFAOYSA-N 0 0 273.336 2.619 20 10 CFCDRN COc1ccccc1C1(C(=O)NCc2ccc(N)cc2)CC1 ZINC000297268179 381554893 /nfs/dbraw/zinc/55/48/93/381554893.db2.gz SHBAPFJGZPSAQJ-UHFFFAOYSA-N 0 0 296.370 2.625 20 10 CFCDRN CN1CCCc2cc(CN[C@H]3CCn4ccnc43)ccc21 ZINC000297712845 381569795 /nfs/dbraw/zinc/56/97/95/381569795.db2.gz MWJPMJKFGCVGEC-HNNXBMFYSA-N 0 0 282.391 2.500 20 10 CFCDRN COc1ccnc(NCc2c(C)c3ccccc3n2C)n1 ZINC000359834250 381633024 /nfs/dbraw/zinc/63/30/24/381633024.db2.gz SSXMSUNYYSHKHO-UHFFFAOYSA-N 0 0 282.347 2.897 20 10 CFCDRN CCSCC[C@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000185773439 381729054 /nfs/dbraw/zinc/72/90/54/381729054.db2.gz XNZUDFYYOZQUQT-JTQLQIEISA-N 0 0 283.393 2.702 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCc1ccco1 ZINC000298781151 381748702 /nfs/dbraw/zinc/74/87/02/381748702.db2.gz IKXRJGXNVPXDNB-UHFFFAOYSA-N 0 0 259.305 2.576 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CF ZINC000355597455 381785653 /nfs/dbraw/zinc/78/56/53/381785653.db2.gz IATRBBMGRDNTHY-JTQLQIEISA-N 0 0 277.343 2.644 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186075178 381818613 /nfs/dbraw/zinc/81/86/13/381818613.db2.gz HGZFYBZCEQEKMK-GHMZBOCLSA-N 0 0 269.360 2.979 20 10 CFCDRN COc1cccc(CN[C@@H]2COc3cccc(F)c32)c1O ZINC000373282056 381968282 /nfs/dbraw/zinc/96/82/82/381968282.db2.gz BORMAFHQZGAGBX-GFCCVEGCSA-N 0 0 289.306 2.763 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186522896 381936245 /nfs/dbraw/zinc/93/62/45/381936245.db2.gz OESQYYNIVDYAPX-KJDJKKKBSA-N 0 0 253.317 2.509 20 10 CFCDRN Cc1cccnc1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000373528236 382018967 /nfs/dbraw/zinc/01/89/67/382018967.db2.gz RSWAZPQLBUTDJM-UHFFFAOYSA-N 0 0 296.374 2.704 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(F)cc1[O-] ZINC000375805479 382103617 /nfs/dbraw/zinc/10/36/17/382103617.db2.gz MDRYQTKCEVSVIR-TZMCWYRMSA-N 0 0 289.354 2.853 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(F)cc1[O-] ZINC000375805478 382104487 /nfs/dbraw/zinc/10/44/87/382104487.db2.gz MDRYQTKCEVSVIR-OCCSQVGLSA-N 0 0 289.354 2.853 20 10 CFCDRN Cc1nc([C@@H]2CCCCN2Cc2ccccc2O)no1 ZINC000376168522 382123310 /nfs/dbraw/zinc/12/33/10/382123310.db2.gz XAHKGJNTYDKABQ-ZDUSSCGKSA-N 0 0 273.336 2.811 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1ccccc1 ZINC000187213760 382129477 /nfs/dbraw/zinc/12/94/77/382129477.db2.gz BYNYTHFJYGEJOS-AWEZNQCLSA-N 0 0 297.354 2.945 20 10 CFCDRN CN1CCCc2cc(CNC(=O)/C=C/c3ccc[nH]3)ccc21 ZINC000187610170 382223539 /nfs/dbraw/zinc/22/35/39/382223539.db2.gz PZBGUKNNHZPYLW-VQHVLOKHSA-N 0 0 295.386 2.727 20 10 CFCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1c1cccnc1 ZINC000293667807 382224376 /nfs/dbraw/zinc/22/43/76/382224376.db2.gz GEUYODYTDWMSDD-HNNXBMFYSA-N 0 0 298.342 2.716 20 10 CFCDRN CCC[C@@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000376909792 382189964 /nfs/dbraw/zinc/18/99/64/382189964.db2.gz FYHQWWHAASBHAS-GFCCVEGCSA-N 0 0 260.381 2.731 20 10 CFCDRN CN1CCc2cc(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)ccc21 ZINC000376910645 382190666 /nfs/dbraw/zinc/19/06/66/382190666.db2.gz LJVVKARZHSVNQD-QLPKVWCKSA-N 0 0 284.403 2.731 20 10 CFCDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000187700093 382251485 /nfs/dbraw/zinc/25/14/85/382251485.db2.gz KFAMBDBPLDCKNF-JQWIXIFHSA-N 0 0 263.337 2.540 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187717138 382255261 /nfs/dbraw/zinc/25/52/61/382255261.db2.gz PANGJUWXCOZADX-HOTUBEGUSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)c(F)c1[O-] ZINC000187758531 382264457 /nfs/dbraw/zinc/26/44/57/382264457.db2.gz LVTBATYRYZUHDA-GARJFASQSA-N 0 0 285.334 2.872 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[C@H]1O ZINC000294118634 382422223 /nfs/dbraw/zinc/42/22/23/382422223.db2.gz GFXQIMVADHTABP-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@H](NC(=O)c1cccc(O)c1O)c1nc(C)cs1 ZINC000188425165 382411086 /nfs/dbraw/zinc/41/10/86/382411086.db2.gz PCESGLPOKUAHOR-JTQLQIEISA-N 0 0 292.360 2.744 20 10 CFCDRN COc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000294202604 382458149 /nfs/dbraw/zinc/45/81/49/382458149.db2.gz XWBQMFORMHLKFC-DLBZAZTESA-N 0 0 289.375 2.544 20 10 CFCDRN C[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000365928589 382458700 /nfs/dbraw/zinc/45/87/00/382458700.db2.gz FBEXSRYEHBCWKL-GOSISDBHSA-N 0 0 297.354 2.902 20 10 CFCDRN COCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294214096 382462304 /nfs/dbraw/zinc/46/23/04/382462304.db2.gz LLCHNLUBEOPXFF-UHFFFAOYSA-N 0 0 261.724 2.701 20 10 CFCDRN COC[C@@H]1CCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000294237293 382472059 /nfs/dbraw/zinc/47/20/59/382472059.db2.gz GBUOSQHBXBSKNM-KRWDZBQOSA-N 0 0 298.386 2.955 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2ccccc2CO1 ZINC000366158460 382478758 /nfs/dbraw/zinc/47/87/58/382478758.db2.gz RBAKTIHIJPMGIQ-SOFGYWHQSA-N 0 0 297.310 2.585 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C(F)(F)F)C2)cc1 ZINC000378548411 382481211 /nfs/dbraw/zinc/48/12/11/382481211.db2.gz ZWCJFCXTSHFQCW-UHFFFAOYSA-N 0 0 284.281 2.541 20 10 CFCDRN Cc1nc(N2CC=C(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000378612808 382492008 /nfs/dbraw/zinc/49/20/08/382492008.db2.gz UIPKDEVUMIYJRN-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN Cc1cc(Cl)cc(CNCc2nnc(C(C)C)[nH]2)c1O ZINC000294768310 382527243 /nfs/dbraw/zinc/52/72/43/382527243.db2.gz JZLRGAISTOTWPP-UHFFFAOYSA-N 0 0 294.786 2.885 20 10 CFCDRN CCC(C)(C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188906528 382502917 /nfs/dbraw/zinc/50/29/17/382502917.db2.gz IJUHAEHLPKNWSB-UHFFFAOYSA-N 0 0 276.380 2.914 20 10 CFCDRN Cc1cc(Cl)cc(CNCc2nnc(C3CC3)[nH]2)c1O ZINC000294785751 382528685 /nfs/dbraw/zinc/52/86/85/382528685.db2.gz LOUDKCAEHMHOAQ-UHFFFAOYSA-N 0 0 292.770 2.639 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1coc2c1C(=O)CCC2 ZINC000294885981 382538422 /nfs/dbraw/zinc/53/84/22/382538422.db2.gz QKOGMTUHQLAPLW-UHFFFAOYSA-N 0 0 299.326 2.776 20 10 CFCDRN COC(=O)c1cnc(S[C@@H](C)C(F)(F)F)s1 ZINC000294921038 382544677 /nfs/dbraw/zinc/54/46/77/382544677.db2.gz CIJAPYZZWXMLBF-BYPYZUCNSA-N 0 0 271.285 2.973 20 10 CFCDRN CCn1nc(C)c(CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000294993343 382558515 /nfs/dbraw/zinc/55/85/15/382558515.db2.gz HEMLIWKUCDTXBA-UHFFFAOYSA-N 0 0 294.786 2.905 20 10 CFCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)c1nnnn1C ZINC000189067955 382535481 /nfs/dbraw/zinc/53/54/81/382535481.db2.gz QLQDAHBVZMNSGD-ZETCQYMHSA-N 0 0 283.426 2.817 20 10 CFCDRN COc1cccc(CN2C[C@@H](CO)Cc3ccccc32)c1O ZINC000367803160 382587609 /nfs/dbraw/zinc/58/76/09/382587609.db2.gz VZLWOUNICHIIEG-ZDUSSCGKSA-N 0 0 299.370 2.572 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295253359 382600383 /nfs/dbraw/zinc/60/03/83/382600383.db2.gz QNQQPVMYKCMPGN-AWEZNQCLSA-N 0 0 263.381 2.684 20 10 CFCDRN COC(=O)c1cnc(SCc2nc(C)c(C)o2)s1 ZINC000295148566 382578065 /nfs/dbraw/zinc/57/80/65/382578065.db2.gz FAAXEBUALVGTGH-UHFFFAOYSA-N 0 0 284.362 2.827 20 10 CFCDRN COC(=O)c1cnc(SCc2cccc(OC)n2)s1 ZINC000295147123 382578371 /nfs/dbraw/zinc/57/83/71/382578371.db2.gz DVJNIUZRMGQDJL-UHFFFAOYSA-N 0 0 296.373 2.626 20 10 CFCDRN CCCC1(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295191658 382579678 /nfs/dbraw/zinc/57/96/78/382579678.db2.gz UYFDOBLDRZEMNH-UHFFFAOYSA-N 0 0 267.300 2.547 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC[C@]23CCOC3=O)c1O ZINC000190035451 382651068 /nfs/dbraw/zinc/65/10/68/382651068.db2.gz OEECASAYWAHRLS-OAHLLOKOSA-N 0 0 295.766 2.636 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCSc3ncccc32)c1 ZINC000255158078 383477608 /nfs/dbraw/zinc/47/76/08/383477608.db2.gz LNEBKAYJDMIROR-PLNGDYQASA-N 0 0 297.383 2.937 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H](C)c2ccco2)c1O ZINC000528863459 383664158 /nfs/dbraw/zinc/66/41/58/383664158.db2.gz WMMWVZUXVSUIKL-LLVKDONJSA-N 0 0 289.331 2.804 20 10 CFCDRN O=C(/C=C/C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000269092094 384723443 /nfs/dbraw/zinc/72/34/43/384723443.db2.gz VNYZRGMXDWCVDU-JXMROGBWSA-N 0 0 271.360 2.853 20 10 CFCDRN COCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000270075343 384967395 /nfs/dbraw/zinc/96/73/95/384967395.db2.gz YQXVALDFNCUQSS-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CO)C2)cc1 ZINC000270396741 385087462 /nfs/dbraw/zinc/08/74/62/385087462.db2.gz UNHVPPDTGYTJTB-HNNXBMFYSA-N 0 0 298.386 2.549 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1SCCS1 ZINC000270427693 385099797 /nfs/dbraw/zinc/09/97/97/385099797.db2.gz FKLKBKJZFLQZQC-UHFFFAOYSA-N 0 0 297.445 2.937 20 10 CFCDRN CSCCCN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000281117480 385185434 /nfs/dbraw/zinc/18/54/34/385185434.db2.gz XPUIHLCQGAWXSL-UHFFFAOYSA-N 0 0 295.452 2.647 20 10 CFCDRN COc1cccc(CN2CCC=C(Br)C2)c1O ZINC000282464120 385317698 /nfs/dbraw/zinc/31/76/98/385317698.db2.gz VUVWNBMQAGOICU-UHFFFAOYSA-N 0 0 298.180 2.885 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000282293374 385274094 /nfs/dbraw/zinc/27/40/94/385274094.db2.gz FQYABTXYJSYMSD-WOSRLPQWSA-N 0 0 291.391 2.944 20 10 CFCDRN Oc1ccccc1CN1CCC=C(Br)C1 ZINC000282362224 385293081 /nfs/dbraw/zinc/29/30/81/385293081.db2.gz PUZQFPSQSVRDCA-UHFFFAOYSA-N 0 0 268.154 2.877 20 10 CFCDRN CCCC[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000282400839 385300668 /nfs/dbraw/zinc/30/06/68/385300668.db2.gz HOTSYTKKPSTKDA-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN CCCNC(=O)C[N@H+](CCC)Cc1cccc(Cl)c1[O-] ZINC000271693926 385389126 /nfs/dbraw/zinc/38/91/26/385389126.db2.gz AENJNGRPSBSDMR-UHFFFAOYSA-N 0 0 298.814 2.784 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnsn1 ZINC000282563806 385343267 /nfs/dbraw/zinc/34/32/67/385343267.db2.gz ULUURDYILLZNOZ-UHFFFAOYSA-N 0 0 291.376 2.686 20 10 CFCDRN Cc1ncc(C(=O)N(C)Cc2ccccc2O)c(C2CC2)n1 ZINC000282681100 385369235 /nfs/dbraw/zinc/36/92/35/385369235.db2.gz JHZZWVQCPXXDET-UHFFFAOYSA-N 0 0 297.358 2.640 20 10 CFCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(F)(F)F ZINC000271768553 385390730 /nfs/dbraw/zinc/39/07/30/385390730.db2.gz BAFSEGBMQRVYGY-ONGXEEELSA-N 0 0 297.704 2.837 20 10 CFCDRN CCN(Cc1nnc(C)s1)c1ccc(OC)c(OC)c1 ZINC000271467094 385382963 /nfs/dbraw/zinc/38/29/63/385382963.db2.gz VDAWKNKZKYBERB-UHFFFAOYSA-N 0 0 293.392 2.890 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nnc([C@@H]2CCCO2)o1 ZINC000272199371 385471478 /nfs/dbraw/zinc/47/14/78/385471478.db2.gz HFUAEEHQLMVTTJ-NSHDSACASA-N 0 0 295.726 2.892 20 10 CFCDRN CC(C)([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000283789220 385499877 /nfs/dbraw/zinc/49/98/77/385499877.db2.gz FOCGQLQGUZYZGK-UHFFFAOYSA-N 0 0 276.380 2.630 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000272411134 385530461 /nfs/dbraw/zinc/53/04/61/385530461.db2.gz KVWVDPKQVVACHO-WFASDCNBSA-N 0 0 297.395 2.676 20 10 CFCDRN CO[C@H](C)c1nc(CNCc2cc(F)ccc2O)cs1 ZINC000272480861 385549440 /nfs/dbraw/zinc/54/94/40/385549440.db2.gz SQHZWJBWQZLEDU-SECBINFHSA-N 0 0 296.367 2.985 20 10 CFCDRN Cn1nncc1C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000285063219 385551729 /nfs/dbraw/zinc/55/17/29/385551729.db2.gz GNTXOISGJUVTIJ-UHFFFAOYSA-N 0 0 296.421 2.544 20 10 CFCDRN CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000285917801 385558888 /nfs/dbraw/zinc/55/88/88/385558888.db2.gz CFZAHDLPPUPIBI-JQWIXIFHSA-N 0 0 295.276 2.885 20 10 CFCDRN CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286048250 385559360 /nfs/dbraw/zinc/55/93/60/385559360.db2.gz KVMNJJAUNFOGMY-TZMCWYRMSA-N 0 0 294.370 2.583 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)C(C)C)c1ccc(F)cc1[O-] ZINC000286005694 385559458 /nfs/dbraw/zinc/55/94/58/385559458.db2.gz IYJQPHPJQRFBQV-CHWSQXEVSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccc(F)cc1[O-] ZINC000286003737 385559464 /nfs/dbraw/zinc/55/94/64/385559464.db2.gz IVNPVKNHMSGXSL-JSGCOSHPSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1ccc(F)cc1[O-] ZINC000286031061 385559570 /nfs/dbraw/zinc/55/95/70/385559570.db2.gz JGDXLVQXLDQQMC-KRDDEPHXSA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000286102866 385560395 /nfs/dbraw/zinc/56/03/95/385560395.db2.gz NHVQWYJLXIHBBQ-CYBMUJFWSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)CC)c1ccc(F)cc1[O-] ZINC000286100650 385560431 /nfs/dbraw/zinc/56/04/31/385560431.db2.gz NGKRIXCRLYTINJ-ZDUSSCGKSA-N 0 0 254.349 2.524 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(F)cc1[O-] ZINC000286096249 385560529 /nfs/dbraw/zinc/56/05/29/385560529.db2.gz MZWVWYJPFSVIBN-RISCZKNCSA-N 0 0 277.343 2.857 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1ccc(F)cc1[O-] ZINC000286150863 385564598 /nfs/dbraw/zinc/56/45/98/385564598.db2.gz PKWIEYKBDASRMU-SMDDNHRTSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccc(F)cc1[O-] ZINC000286190793 385569326 /nfs/dbraw/zinc/56/93/26/385569326.db2.gz RHJCJLPOTHBLNH-JSGCOSHPSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+]CC1CCOCC1)c1ccc(F)cc1[O-] ZINC000286353779 385596196 /nfs/dbraw/zinc/59/61/96/385596196.db2.gz YXQCKPYECMURDU-AWEZNQCLSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+]CCN1CCSCC1)c1ccc(F)cc1[O-] ZINC000286294906 385584044 /nfs/dbraw/zinc/58/40/44/385584044.db2.gz WITMJSREQRGZHX-AWEZNQCLSA-N 0 0 298.427 2.621 20 10 CFCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273425031 385682300 /nfs/dbraw/zinc/68/23/00/385682300.db2.gz TXLMQEPCQYHSHQ-ZDUSSCGKSA-N 0 0 299.418 2.898 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000273536887 385687927 /nfs/dbraw/zinc/68/79/27/385687927.db2.gz XMLFPVKVDQTSPX-SQLBVSGCSA-N 0 0 263.337 2.628 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)N(C)Cc1ccccc1O ZINC000273725402 385694354 /nfs/dbraw/zinc/69/43/54/385694354.db2.gz PXTBPHJIHZFNLW-UHFFFAOYSA-N 0 0 286.331 2.838 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000286952318 385747910 /nfs/dbraw/zinc/74/79/10/385747910.db2.gz BPTJZGOWVDEROM-RDBSUJKOSA-N 0 0 267.344 2.876 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276919421 386080308 /nfs/dbraw/zinc/08/03/08/386080308.db2.gz MDTQHTPEFJHRGO-LKFCYVNXSA-N 0 0 273.323 2.872 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276937526 386085549 /nfs/dbraw/zinc/08/55/49/386085549.db2.gz PDUZNQWGIGVRNY-BXKDBHETSA-N 0 0 273.323 2.992 20 10 CFCDRN CCN(CC)c1ccc(CN2CCc3c(ncn3C)C2)cc1 ZINC000374420458 393495394 /nfs/dbraw/zinc/49/53/94/393495394.db2.gz LKPZJZKJDGSEHM-UHFFFAOYSA-N 0 0 298.434 2.825 20 10 CFCDRN O=C(/C=C/c1cncc(O)c1)N1CCc2ccc(F)cc21 ZINC000181941137 393504075 /nfs/dbraw/zinc/50/40/75/393504075.db2.gz XUNHTTJDPWAUAF-DAFODLJHSA-N 0 0 284.290 2.529 20 10 CFCDRN C[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000105311052 393863530 /nfs/dbraw/zinc/86/35/30/393863530.db2.gz LUGGCKUEHKKHIC-DGCLKSJQSA-N 0 0 262.353 2.722 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2Cc3ccccc3C2)cc1 ZINC000106252333 393866770 /nfs/dbraw/zinc/86/67/70/393866770.db2.gz PWYVBMNXSKSVIM-UHFFFAOYSA-N 0 0 295.386 2.978 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000107064792 393868740 /nfs/dbraw/zinc/86/87/40/393868740.db2.gz USKJBZJBZWCRQE-GFCCVEGCSA-N 0 0 295.354 2.592 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCC1 ZINC000119143634 393914643 /nfs/dbraw/zinc/91/46/43/393914643.db2.gz LFFJORIALFQMAC-LLVKDONJSA-N 0 0 275.348 2.645 20 10 CFCDRN Cc1csc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121266809 393953045 /nfs/dbraw/zinc/95/30/45/393953045.db2.gz YBZOVHZWVVVPRD-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN CSCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348637392 393955493 /nfs/dbraw/zinc/95/54/93/393955493.db2.gz WFKYRIGTGYYSEQ-UHFFFAOYSA-N 0 0 276.405 2.856 20 10 CFCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)o1 ZINC000121722867 393959565 /nfs/dbraw/zinc/95/95/65/393959565.db2.gz DUKPSEXJHLEBOY-UHFFFAOYSA-N 0 0 293.294 2.850 20 10 CFCDRN COc1ccc(N(C)CCCN2CCOCC2)cc1Cl ZINC000121890589 393962493 /nfs/dbraw/zinc/96/24/93/393962493.db2.gz QOOXCDFEXDUWRZ-UHFFFAOYSA-N 0 0 298.814 2.507 20 10 CFCDRN CC(C)C[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122627134 393970581 /nfs/dbraw/zinc/97/05/81/393970581.db2.gz LOMLDSOJZPQLKG-GFCCVEGCSA-N 0 0 279.380 2.829 20 10 CFCDRN CC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000122830153 393972243 /nfs/dbraw/zinc/97/22/43/393972243.db2.gz VDAKKYHARCXNKA-LBPRGKRZSA-N 0 0 293.386 2.833 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000492504817 394069675 /nfs/dbraw/zinc/06/96/75/394069675.db2.gz PUDNIGTZNWIJAY-HJWRWDBZSA-N 0 0 297.314 2.974 20 10 CFCDRN COc1ncc(/C=C\C(=O)N2C[C@H](C)c3ccccc32)cn1 ZINC000493009005 394122819 /nfs/dbraw/zinc/12/28/19/394122819.db2.gz VDBVUSRAIORHHV-KRZKBDHCSA-N 0 0 295.342 2.649 20 10 CFCDRN CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000286961087 394201630 /nfs/dbraw/zinc/20/16/30/394201630.db2.gz NEECHUVDMBRLKX-CABZTGNLSA-N 0 0 257.761 2.857 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367047808 394250295 /nfs/dbraw/zinc/25/02/95/394250295.db2.gz NDOIDCZQOQIMRT-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN CN(C(=O)/C=C\c1cccnc1)c1cnc2ccccc2n1 ZINC000493785189 394316146 /nfs/dbraw/zinc/31/61/46/394316146.db2.gz JHKLQXNXDBCCSC-HJWRWDBZSA-N 0 0 290.326 2.701 20 10 CFCDRN Cn1ncnc1COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164466 395192612 /nfs/dbraw/zinc/19/26/12/395192612.db2.gz WSDPFTMPTKLVBB-UHFFFAOYSA-N 0 0 296.374 2.765 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c(O)c1O ZINC000182964916 292063634 /nfs/dbraw/zinc/06/36/34/292063634.db2.gz VJUOADXRHMLUPQ-GXSJLCMTSA-N 0 0 263.337 2.524 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000280587878 296541813 /nfs/dbraw/zinc/54/18/13/296541813.db2.gz XHECEQRJVFQEEQ-SNVBAGLBSA-N 0 0 263.337 2.606 20 10 CFCDRN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187717160 286798969 /nfs/dbraw/zinc/79/89/69/286798969.db2.gz PANGJUWXCOZADX-PTRXPTGYSA-N 0 0 273.323 2.728 20 10 CFCDRN CC(C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020196636 171061191 /nfs/dbraw/zinc/06/11/91/171061191.db2.gz ATCDPBCQTYVJEZ-UHFFFAOYSA-N 0 0 264.152 2.560 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccncc1 ZINC000348707791 226507884 /nfs/dbraw/zinc/50/78/84/226507884.db2.gz UYBYLPPIAGQNGZ-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN C[C@@H]1CC(C(=O)NCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000182838141 261952986 /nfs/dbraw/zinc/95/29/86/261952986.db2.gz FYLQGFZHOWTUFK-QWRGUYRKSA-N 0 0 277.364 2.786 20 10 CFCDRN C[C@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000184232318 262013053 /nfs/dbraw/zinc/01/30/53/262013053.db2.gz BHIUAAGKLVOSRG-ONXXMXGDSA-N 0 0 291.391 2.829 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000263664003 262850785 /nfs/dbraw/zinc/85/07/85/262850785.db2.gz AQZDWDLRYBKDQA-GHMZBOCLSA-N 0 0 250.342 2.626 20 10 CFCDRN O=C(C[C@@H]1CCCC1(F)F)NCc1ccc(O)c(O)c1 ZINC000934945228 649859984 /nfs/dbraw/zinc/85/99/84/649859984.db2.gz YFYOLDVXXOGIGN-JTQLQIEISA-N 0 0 285.290 2.540 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2CC=CCC2)c1O ZINC000934939846 649859290 /nfs/dbraw/zinc/85/92/90/649859290.db2.gz DHXCXZGMCZEQEP-LBPRGKRZSA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c1 ZINC000934942062 649859772 /nfs/dbraw/zinc/85/97/72/649859772.db2.gz ILBSCTXUGWUHGE-OXJKWZBOSA-N 0 0 289.375 2.699 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ccco2)cc1 ZINC000369769870 267264943 /nfs/dbraw/zinc/26/49/43/267264943.db2.gz BMPJWLVRZVHLLG-INIZCTEOSA-N 0 0 286.375 2.919 20 10 CFCDRN CCOc1cccc(CN2CCC[C@@H]2c2ncon2)c1O ZINC000371381914 267397395 /nfs/dbraw/zinc/39/73/95/267397395.db2.gz GRZYXBMWOAIETD-GFCCVEGCSA-N 0 0 289.335 2.511 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000166372242 275060525 /nfs/dbraw/zinc/06/05/25/275060525.db2.gz QZOAVXUQYXXNPF-UHFFFAOYSA-N 0 0 286.350 2.854 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC(CF)CC2)cc1OC ZINC000294941569 277389166 /nfs/dbraw/zinc/38/91/66/277389166.db2.gz IIFPAUIPPXCMPN-UHFFFAOYSA-N 0 0 298.314 2.798 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N2CCCc3ncccc32)s1 ZINC000264820982 279147630 /nfs/dbraw/zinc/14/76/30/279147630.db2.gz ZWCIUHONXLJRHG-VOTSOKGWSA-N 0 0 285.372 2.839 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1[O-] ZINC000286108113 280189581 /nfs/dbraw/zinc/18/95/81/280189581.db2.gz NNKPBDLMWXZBOX-GXTWGEPZSA-N 0 0 266.360 2.666 20 10 CFCDRN Cc1ccncc1C1=CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000364310963 281482640 /nfs/dbraw/zinc/48/26/40/281482640.db2.gz YRJOLSRNORXXPA-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccncc1 ZINC000255903387 327027550 /nfs/dbraw/zinc/02/75/50/327027550.db2.gz ANRVXKMWRISAAF-PLNGDYQASA-N 0 0 267.332 2.851 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2ccccc21 ZINC000104199072 328776977 /nfs/dbraw/zinc/77/69/77/328776977.db2.gz AYLOQDSTOZGWAR-AATRIKPKSA-N 0 0 268.291 2.823 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)ncn1 ZINC000359840060 328899673 /nfs/dbraw/zinc/89/96/73/328899673.db2.gz SFYPPYZWOBQPJO-UHFFFAOYSA-N 0 0 266.348 2.619 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000527980638 330298185 /nfs/dbraw/zinc/29/81/85/330298185.db2.gz QRIVSSDIWICJDK-FZZIBODNSA-N 0 0 253.317 2.749 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000450049385 330959831 /nfs/dbraw/zinc/95/98/31/330959831.db2.gz QGTXQQHWUNNEFA-DGCLKSJQSA-N 0 0 274.364 2.524 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2ccc3cc[nH]c3c2)cnn1C ZINC000491999236 332378582 /nfs/dbraw/zinc/37/85/82/332378582.db2.gz JHJZZACKOZFDIV-ALCCZGGFSA-N 0 0 294.358 2.886 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccccc1OC ZINC000492266798 332389779 /nfs/dbraw/zinc/38/97/79/332389779.db2.gz AVGJJRMJUOYBCR-KHPPLWFESA-N 0 0 299.374 2.803 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCOc3cc(F)ccc32)cn1 ZINC000492335533 332393001 /nfs/dbraw/zinc/39/30/01/332393001.db2.gz FEZKCTJCVIKKPQ-DAXSKMNVSA-N 0 0 298.317 2.968 20 10 CFCDRN C[C@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492862252 332416423 /nfs/dbraw/zinc/41/64/23/332416423.db2.gz QTMQRMCGUQKPDV-MLRMMBSGSA-N 0 0 253.305 2.573 20 10 CFCDRN CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000211720503 333107475 /nfs/dbraw/zinc/10/74/75/333107475.db2.gz ADRXSDYBQMXRPQ-GASCZTMLSA-N 0 0 277.364 2.544 20 10 CFCDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000075476072 334043002 /nfs/dbraw/zinc/04/30/02/334043002.db2.gz ACCAJVUUSXXKKF-MDZDMXLPSA-N 0 0 283.287 2.666 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2c(F)cccc2F)cnn1C ZINC000254968539 334496838 /nfs/dbraw/zinc/49/68/38/334496838.db2.gz SVZONYFZOSMVQL-FPLPWBNLSA-N 0 0 291.301 2.683 20 10 CFCDRN Cn1c(-c2ncnc3c2C(C)(C)C(=O)N3)cc2ccccc21 ZINC001243352515 782152380 /nfs/dbraw/zinc/15/23/80/782152380.db2.gz ALKQJBQJHJWSJB-UHFFFAOYSA-N 0 0 292.342 2.865 20 10 CFCDRN CCOC(CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])OCC ZINC000276483960 521630125 /nfs/dbraw/zinc/63/01/25/521630125.db2.gz GJNXCUIIXREFKQ-NSHDSACASA-N 0 0 285.359 2.971 20 10 CFCDRN CC(C)(C)c1cnc(C=C2SC(=S)NC2=O)s1 ZINC000280419242 519063881 /nfs/dbraw/zinc/06/38/81/519063881.db2.gz HYBFHPOOXCFEBS-XQRVVYSFSA-N 0 0 284.431 2.929 20 10 CFCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1ccccn1 ZINC000296553851 519251853 /nfs/dbraw/zinc/25/18/53/519251853.db2.gz BZEIVHJABLKDDR-UHFFFAOYSA-N 0 0 299.374 2.564 20 10 CFCDRN CC(C)(F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157767040 519290925 /nfs/dbraw/zinc/29/09/25/519290925.db2.gz VUIKCNSYZUUJEC-UHFFFAOYSA-N 0 0 265.328 2.635 20 10 CFCDRN CC(C)C[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186417555 519297691 /nfs/dbraw/zinc/29/76/91/519297691.db2.gz ZVCMOASOAXCGAG-RYUDHWBXSA-N 0 0 279.380 2.827 20 10 CFCDRN CC(C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181175654 519550333 /nfs/dbraw/zinc/55/03/33/519550333.db2.gz NZVLFCQJWUUDOR-GQCTYLIASA-N 0 0 275.348 2.663 20 10 CFCDRN CC(=O)NCCCSc1ncc(-c2ccccc2)n1C ZINC000049064932 519661026 /nfs/dbraw/zinc/66/10/26/519661026.db2.gz KZELZFSJWLBGBC-UHFFFAOYSA-N 0 0 289.404 2.705 20 10 CFCDRN CC(C)OCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000073543066 519755062 /nfs/dbraw/zinc/75/50/62/519755062.db2.gz SDAIYXVAJZVUNU-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN CC(C)OCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159765 519756144 /nfs/dbraw/zinc/75/61/44/519756144.db2.gz LRIZOEPFUVEUKF-UHFFFAOYSA-N 0 0 291.391 2.702 20 10 CFCDRN CC(C)OC[C@H](O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191579708 519773876 /nfs/dbraw/zinc/77/38/76/519773876.db2.gz KWUBQOCCFWYMOW-OAHLLOKOSA-N 0 0 281.396 2.696 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2nc(N(C)C)no2)cc1 ZINC000192824052 519780400 /nfs/dbraw/zinc/78/04/00/519780400.db2.gz FFDHNRZFQGWXIB-UHFFFAOYSA-N 0 0 290.367 2.559 20 10 CFCDRN CC(C)[C@@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372290245 519790014 /nfs/dbraw/zinc/79/00/14/519790014.db2.gz WJRRYRXCIMABNT-GFCCVEGCSA-N 0 0 260.381 2.587 20 10 CFCDRN CCC1(CNC(=O)c2c(F)ccc(O)c2O)CCC1 ZINC000276534141 519842004 /nfs/dbraw/zinc/84/20/04/519842004.db2.gz HZMPWGZSWHVLGW-UHFFFAOYSA-N 0 0 267.300 2.547 20 10 CFCDRN CC(C)c1nc(COc2ccc(N(C)C)cc2)no1 ZINC000277718197 519864762 /nfs/dbraw/zinc/86/47/62/519864762.db2.gz GUDDLFWZDDVNPS-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000263986686 519897846 /nfs/dbraw/zinc/89/78/46/519897846.db2.gz FCNRELMTBSIJFM-UHFFFAOYSA-N 0 0 274.364 2.654 20 10 CFCDRN CCCCCCNC(=O)c1c(F)ccc(O)c1O ZINC000276562992 520090955 /nfs/dbraw/zinc/09/09/55/520090955.db2.gz KFMYQVSHUBYLNO-UHFFFAOYSA-N 0 0 255.289 2.547 20 10 CFCDRN CCN(C)c1ccc([C@H](C)N[C@H](C)c2ncn(C)n2)cc1 ZINC000275734983 520289732 /nfs/dbraw/zinc/28/97/32/520289732.db2.gz PQFNTYJQPOGHRH-QWHCGFSZSA-N 0 0 287.411 2.683 20 10 CFCDRN CC1(C)CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000079675200 520302181 /nfs/dbraw/zinc/30/21/81/520302181.db2.gz QYDGKQRDQLUECX-UHFFFAOYSA-N 0 0 260.381 2.896 20 10 CFCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000290181840 520418578 /nfs/dbraw/zinc/41/85/78/520418578.db2.gz NUSMPVYBHAWVQQ-LBPRGKRZSA-N 0 0 268.376 2.741 20 10 CFCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1O ZINC000275822603 520481987 /nfs/dbraw/zinc/48/19/87/520481987.db2.gz FFSSFUJSXDFACK-LBPRGKRZSA-N 0 0 269.772 2.638 20 10 CFCDRN CCC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000159820764 520589083 /nfs/dbraw/zinc/58/90/83/520589083.db2.gz FJNFIFNAXGXLBA-CYBMUJFWSA-N 0 0 279.380 2.829 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NC2CC2)cc1F ZINC000066975541 520898079 /nfs/dbraw/zinc/89/80/79/520898079.db2.gz UHIDQLGMEWJRDB-UHFFFAOYSA-N 0 0 279.359 2.634 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H](C(=O)OC)C2CC2)cc1 ZINC000276523798 520911960 /nfs/dbraw/zinc/91/19/60/520911960.db2.gz VNXXBPYNYWMPRY-INIZCTEOSA-N 0 0 290.407 2.574 20 10 CFCDRN CCC[C@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000158963068 521013813 /nfs/dbraw/zinc/01/38/13/521013813.db2.gz CYDQBPCTMBABPS-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN CCOc1ccc(N(CC)CC(OC)OC)cc1 ZINC000275469140 521026632 /nfs/dbraw/zinc/02/66/32/521026632.db2.gz OGDDSJNOLMVAFH-UHFFFAOYSA-N 0 0 253.342 2.531 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ncnn2CCF)cc1 ZINC000281531266 521028755 /nfs/dbraw/zinc/02/87/55/521028755.db2.gz VYNFIWYPWOAAOE-UHFFFAOYSA-N 0 0 292.358 2.673 20 10 CFCDRN CCC(C)(C)CNC(=O)NCc1ccccc1O ZINC000277026467 521286251 /nfs/dbraw/zinc/28/62/51/521286251.db2.gz NHBPYSXMCXKSHI-UHFFFAOYSA-N 0 0 250.342 2.628 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C=Cc1c[nH]cn1 ZINC000276579076 521315856 /nfs/dbraw/zinc/31/58/56/521315856.db2.gz LKHGEWBQSHGSHS-JXMROGBWSA-N 0 0 298.390 2.538 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=COCCC1 ZINC000264175165 521319040 /nfs/dbraw/zinc/31/90/40/521319040.db2.gz WQMRDVAYRHKLTM-UHFFFAOYSA-N 0 0 288.391 2.795 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)c[nH]1 ZINC000293405453 521321159 /nfs/dbraw/zinc/32/11/59/521321159.db2.gz YMCZODSVHWDSGR-UHFFFAOYSA-N 0 0 289.354 2.882 20 10 CFCDRN CCCCc1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000121282256 521330120 /nfs/dbraw/zinc/33/01/20/521330120.db2.gz NUTADDUKDBPDCC-UHFFFAOYSA-N 0 0 289.335 2.777 20 10 CFCDRN CCOC(=O)[C@]1(CCSc2nccs2)CCCC1=O ZINC000174150822 521353115 /nfs/dbraw/zinc/35/31/15/521353115.db2.gz BSPHYZMWBSKSGO-ZDUSSCGKSA-N 0 0 299.417 2.928 20 10 CFCDRN CCOC(=O)c1cc(NCc2cccc(C)c2O)cn1C ZINC000290293296 521444214 /nfs/dbraw/zinc/44/42/14/521444214.db2.gz AORZPBUOQAZUCP-UHFFFAOYSA-N 0 0 288.347 2.828 20 10 CFCDRN CCCN(CC(C)C)C(=O)c1ccc(C)c(O)c1O ZINC000272884171 521582463 /nfs/dbraw/zinc/58/24/63/521582463.db2.gz YHCKUOWLPGWLAC-UHFFFAOYSA-N 0 0 265.353 2.914 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1CCC(O)CC1 ZINC000194408123 521686685 /nfs/dbraw/zinc/68/66/85/521686685.db2.gz UXMIJVNMOCXPTJ-UHFFFAOYSA-N 0 0 291.391 2.682 20 10 CFCDRN CC[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190104459 521940246 /nfs/dbraw/zinc/94/02/46/521940246.db2.gz JBBRRJGLUSQWHX-MNOVXSKESA-N 0 0 265.353 2.581 20 10 CFCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N(C)C)cc1 ZINC000291746957 522002289 /nfs/dbraw/zinc/00/22/89/522002289.db2.gz SRWJDEWXZONZEW-GFCCVEGCSA-N 0 0 279.384 2.530 20 10 CFCDRN CCc1csc(CC(=O)N(C)Cc2ccccc2O)n1 ZINC000279544240 522093133 /nfs/dbraw/zinc/09/31/33/522093133.db2.gz XBURTISBEHAFRC-UHFFFAOYSA-N 0 0 290.388 2.612 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000279879670 522135384 /nfs/dbraw/zinc/13/53/84/522135384.db2.gz GBFDCNSDGJRFQA-WDEREUQCSA-N 0 0 295.404 2.583 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3=COCCC3)C2)cc1 ZINC000378531331 522157463 /nfs/dbraw/zinc/15/74/63/522157463.db2.gz IJRGMTSCPFXNFP-UHFFFAOYSA-N 0 0 298.386 2.673 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2cocn2)C2CC2)cc1 ZINC000264265672 522162139 /nfs/dbraw/zinc/16/21/39/522162139.db2.gz KMEHZFSYLHOOGW-UHFFFAOYSA-N 0 0 285.347 2.545 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC2(C)C)cc1 ZINC000299093639 522165982 /nfs/dbraw/zinc/16/59/82/522165982.db2.gz VFMSTOHBMBBGQJ-AWEZNQCLSA-N 0 0 275.396 2.693 20 10 CFCDRN COc1cc(C)sc1C(=O)NCCc1ccc(N)cc1 ZINC000237118891 522300295 /nfs/dbraw/zinc/30/02/95/522300295.db2.gz ZDFTUJDXRXSZRF-UHFFFAOYSA-N 0 0 290.388 2.620 20 10 CFCDRN COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])ccn1 ZINC000191197112 522473956 /nfs/dbraw/zinc/47/39/56/522473956.db2.gz JLBAPSFDBVKZLH-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000289947893 522603063 /nfs/dbraw/zinc/60/30/63/522603063.db2.gz WIGQXWALBSCCCJ-ZDUSSCGKSA-N 0 0 263.316 2.538 20 10 CFCDRN CCc1nn(C)cc1NCc1cccc(Cl)c1O ZINC000224943469 522701065 /nfs/dbraw/zinc/70/10/65/522701065.db2.gz ZHLLXTREPDYNJB-UHFFFAOYSA-N 0 0 265.744 2.954 20 10 CFCDRN COc1cc(NS(=O)(=O)CCC(C)(C)C)ccc1O ZINC000290556975 522754071 /nfs/dbraw/zinc/75/40/71/522754071.db2.gz RGAPBQMLCHNCOF-UHFFFAOYSA-N 0 0 287.381 2.579 20 10 CFCDRN COCC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000293754590 522812545 /nfs/dbraw/zinc/81/25/45/522812545.db2.gz RPNSCLFCLQAFLN-LLVKDONJSA-N 0 0 295.379 2.502 20 10 CFCDRN CN(CC[N@H+](C)Cc1cccc(Cl)c1[O-])C1CC1 ZINC000290561650 522813825 /nfs/dbraw/zinc/81/38/25/522813825.db2.gz SKDITHLKCDZHEI-UHFFFAOYSA-N 0 0 268.788 2.572 20 10 CFCDRN COC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293540454 522853327 /nfs/dbraw/zinc/85/33/27/522853327.db2.gz CVKBVEZPBDRFPM-SNVBAGLBSA-N 0 0 276.163 2.920 20 10 CFCDRN CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000285917805 522867405 /nfs/dbraw/zinc/86/74/05/522867405.db2.gz CFZAHDLPPUPIBI-PWSUYJOCSA-N 0 0 295.276 2.885 20 10 CFCDRN CC[C@@H](N[C@H](C)c1ncnn1C)c1ccc(N(C)C)cc1 ZINC000276642108 522941483 /nfs/dbraw/zinc/94/14/83/522941483.db2.gz OYMOERYTPWSPFF-IUODEOHRSA-N 0 0 287.411 2.683 20 10 CFCDRN CN(C[C@@H]1CCSC1)c1ccc2c(c1)OCO2 ZINC000278735673 523078415 /nfs/dbraw/zinc/07/84/15/523078415.db2.gz RMNKYZYZGLTEOM-JTQLQIEISA-N 0 0 251.351 2.605 20 10 CFCDRN COCc1nc(C)cc(Sc2nccs2)n1 ZINC000266050428 523191178 /nfs/dbraw/zinc/19/11/78/523191178.db2.gz WWHKGOSSHGVCDX-UHFFFAOYSA-N 0 0 253.352 2.539 20 10 CFCDRN COCc1nc(CN[C@@H](C)c2ccc(F)cc2O)cs1 ZINC000289570218 523204099 /nfs/dbraw/zinc/20/40/99/523204099.db2.gz AXCJHEOLHIREQN-VIFPVBQESA-N 0 0 296.367 2.985 20 10 CFCDRN CC[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000085068657 523273867 /nfs/dbraw/zinc/27/38/67/523273867.db2.gz WOMDNSXNASAJIE-IUODEOHRSA-N 0 0 260.381 2.896 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1conc1C1CC1 ZINC000280873366 523383847 /nfs/dbraw/zinc/38/38/47/523383847.db2.gz YBFZVHUPPRCWTP-UHFFFAOYSA-N 0 0 272.304 2.530 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000293520476 523536120 /nfs/dbraw/zinc/53/61/20/523536120.db2.gz CYBQNEWXXXJZOZ-ZDUSSCGKSA-N 0 0 275.751 2.945 20 10 CFCDRN CCn1nc(NC(=O)Cc2ccc(N)cc2)cc1C1CC1 ZINC000269204741 523681537 /nfs/dbraw/zinc/68/15/37/523681537.db2.gz BWJATCSARRXFJK-UHFFFAOYSA-N 0 0 284.363 2.544 20 10 CFCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1 ZINC000073917235 523875883 /nfs/dbraw/zinc/87/58/83/523875883.db2.gz GQAIHIHHASETKY-UHFFFAOYSA-N 0 0 287.407 2.763 20 10 CFCDRN CO[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000293188979 523965415 /nfs/dbraw/zinc/96/54/15/523965415.db2.gz BBJQRRJKSIHEQN-HIFRSBDPSA-N 0 0 277.364 2.556 20 10 CFCDRN CN1CC[C@@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000164225682 523969074 /nfs/dbraw/zinc/96/90/74/523969074.db2.gz NDCFFYDSGPGDQK-MRVPVSSYSA-N 0 0 270.423 2.763 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ns1 ZINC000277472062 524106115 /nfs/dbraw/zinc/10/61/15/524106115.db2.gz AUUJUJNYPBQELP-UHFFFAOYSA-N 0 0 293.367 2.587 20 10 CFCDRN C[C@H]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000226323756 524135943 /nfs/dbraw/zinc/13/59/43/524135943.db2.gz CBWWDGUSKBWEGT-GXTWGEPZSA-N 0 0 260.381 2.754 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627502 524148382 /nfs/dbraw/zinc/14/83/82/524148382.db2.gz SBRKVQAWAKWQJN-DTWKUNHWSA-N 0 0 267.300 2.545 20 10 CFCDRN C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000097439805 524204731 /nfs/dbraw/zinc/20/47/31/524204731.db2.gz FYFQWVDDHZANJR-MRVPVSSYSA-N 0 0 278.179 2.807 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N(C)C)cc1 ZINC000277956331 524276211 /nfs/dbraw/zinc/27/62/11/524276211.db2.gz WKGXSJVQEMVUAL-ZIAGYGMSSA-N 0 0 290.407 2.921 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000192069579 524352651 /nfs/dbraw/zinc/35/26/51/524352651.db2.gz FULCPPAUSUAXLY-LBPRGKRZSA-N 0 0 293.338 2.756 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)ncn2)cc1F ZINC000292512997 524353377 /nfs/dbraw/zinc/35/33/77/524353377.db2.gz NMHTVGDHLIFCLX-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2CCOC2=O)cc1Cl ZINC000121844714 524353707 /nfs/dbraw/zinc/35/37/07/524353707.db2.gz HQDPCKPGAQQWDF-JTQLQIEISA-N 0 0 283.755 2.738 20 10 CFCDRN COc1ccc(N(Cc2ncnn2C)[C@@H](C)C2CC2)cc1 ZINC000177154390 524370322 /nfs/dbraw/zinc/37/03/22/524370322.db2.gz NNTDSTRAARTFBT-LBPRGKRZSA-N 0 0 286.379 2.629 20 10 CFCDRN Cc1cccc(CN2CCOC[C@@H]2c2ccco2)c1O ZINC000367740665 524404641 /nfs/dbraw/zinc/40/46/41/524404641.db2.gz MSKBLZMJLZFYRY-CQSZACIVSA-N 0 0 273.332 2.867 20 10 CFCDRN C[C@@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000094942612 524463331 /nfs/dbraw/zinc/46/33/31/524463331.db2.gz BEIOPDVCDVXMPE-QMMMGPOBSA-N 0 0 278.179 2.950 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265996523 524465357 /nfs/dbraw/zinc/46/53/57/524465357.db2.gz ZWUPBGDOSLZCCO-CQSZACIVSA-N 0 0 285.391 2.614 20 10 CFCDRN Cc1ccc(CNC(=O)COc2ccc(N(C)C)cc2)cc1 ZINC000277943365 524507148 /nfs/dbraw/zinc/50/71/48/524507148.db2.gz VIFSUDFKIZOWSF-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN C[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000091800735 524720591 /nfs/dbraw/zinc/72/05/91/524720591.db2.gz NPFFFPSEZWPILU-HNNXBMFYSA-N 0 0 274.408 2.898 20 10 CFCDRN C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000277531702 524729203 /nfs/dbraw/zinc/72/92/03/524729203.db2.gz PXOPCVYQFSGKFW-CABZTGNLSA-N 0 0 255.745 2.560 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])N(C)C1CC1 ZINC000224805750 524744079 /nfs/dbraw/zinc/74/40/79/524744079.db2.gz ZQLRNLVBCHFKHZ-JTQLQIEISA-N 0 0 268.788 2.618 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCn3cnnc3[C@@H]2C)c1O ZINC000276854345 524864854 /nfs/dbraw/zinc/86/48/54/524864854.db2.gz VLUHNUILXZKGME-JTQLQIEISA-N 0 0 292.770 2.522 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncccc1[N+](=O)[O-] ZINC000301276722 525020462 /nfs/dbraw/zinc/02/04/62/525020462.db2.gz JAWHPZZNIRMUNB-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN COc1nccc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000296689457 525029405 /nfs/dbraw/zinc/02/94/05/525029405.db2.gz HJQVEARTHXWZPO-UHFFFAOYSA-N 0 0 287.363 2.909 20 10 CFCDRN Cc1cc(NS(=O)(=O)C2=CCCCC2)ccc1O ZINC000281113974 525285203 /nfs/dbraw/zinc/28/52/03/525285203.db2.gz HMBHKOCVOPNITB-UHFFFAOYSA-N 0 0 267.350 2.900 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000279696929 525307922 /nfs/dbraw/zinc/30/79/22/525307922.db2.gz QPAVIYAJBITFFE-AWEZNQCLSA-N 0 0 269.772 2.783 20 10 CFCDRN Cc1ccccc1O[C@H](C)CNC(=O)Cc1ccc(N)cc1 ZINC000237419432 525321086 /nfs/dbraw/zinc/32/10/86/525321086.db2.gz SAAGOEIEFARBMF-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN C[C@H]([NH2+]CCCCCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463272 525333519 /nfs/dbraw/zinc/33/35/19/525333519.db2.gz IMXANWVPBJFNKH-NSHDSACASA-N 0 0 282.340 2.504 20 10 CFCDRN C[C@H]([NH2+]CCc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000191181097 525367574 /nfs/dbraw/zinc/36/75/74/525367574.db2.gz DTLBTYQKLXAOPX-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000062748288 525387781 /nfs/dbraw/zinc/38/77/81/525387781.db2.gz KPRBBFGMAZHSBK-JQWIXIFHSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+]CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273443957 525426614 /nfs/dbraw/zinc/42/66/14/525426614.db2.gz ZIUXSMKQTYXXPF-SECBINFHSA-N 0 0 250.298 2.751 20 10 CFCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273375866 525438228 /nfs/dbraw/zinc/43/82/28/525438228.db2.gz HEKZQWDVVDCEHN-LLVKDONJSA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCO2)c1nnc2ccccn21 ZINC000043288557 525449773 /nfs/dbraw/zinc/44/97/73/525449773.db2.gz WMUNJHBFHIBFCR-LBPRGKRZSA-N 0 0 294.358 2.515 20 10 CFCDRN Cc1[nH]ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176173427 525454890 /nfs/dbraw/zinc/45/48/90/525454890.db2.gz ZUAZBQMPSILIKI-UHFFFAOYSA-N 0 0 284.359 2.838 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cn[nH]c1 ZINC000224935913 525455635 /nfs/dbraw/zinc/45/56/35/525455635.db2.gz XCNUKFJBRKWPAF-QMMMGPOBSA-N 0 0 251.717 2.620 20 10 CFCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276402811 525525363 /nfs/dbraw/zinc/52/53/63/525525363.db2.gz AJFBMKYROUPTEE-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000063219061 525627113 /nfs/dbraw/zinc/62/71/13/525627113.db2.gz QWNKQWVQRIHHPO-IUODEOHRSA-N 0 0 289.350 2.786 20 10 CFCDRN Cc1cc[nH]c1C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000366686893 525703512 /nfs/dbraw/zinc/70/35/12/525703512.db2.gz VJDIMGAUXXEGQB-UHFFFAOYSA-N 0 0 295.386 2.929 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000276924159 525783771 /nfs/dbraw/zinc/78/37/71/525783771.db2.gz MZZASZKBFVCQAG-CABZTGNLSA-N 0 0 297.301 2.956 20 10 CFCDRN C[C@@]1(NCc2cc(-c3ccccc3)ccc2O)CCOC1=O ZINC000289922148 525873410 /nfs/dbraw/zinc/87/34/10/525873410.db2.gz VMNMIRDJKMLXLN-GOSISDBHSA-N 0 0 297.354 2.854 20 10 CFCDRN COc1cccc(CNC(=O)CC2(C)CCCC2)c1O ZINC000289697786 525965424 /nfs/dbraw/zinc/96/54/24/525965424.db2.gz NMJRKTPJLPJZIF-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)C[C@@H]1F ZINC000335116727 525973471 /nfs/dbraw/zinc/97/34/71/525973471.db2.gz MVHJOZJPUSUNKT-HOCLYGCPSA-N 0 0 274.339 2.851 20 10 CFCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1ccccc1 ZINC000281874877 526267081 /nfs/dbraw/zinc/26/70/81/526267081.db2.gz SUBFZWRMGYYRSA-UHFFFAOYSA-N 0 0 260.312 2.793 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291309308 526326044 /nfs/dbraw/zinc/32/60/44/526326044.db2.gz RMUXGUSOIVJHBL-LBPRGKRZSA-N 0 0 277.755 2.689 20 10 CFCDRN Oc1ccc(Br)cc1CN(C1CC1)C1COC1 ZINC000295992192 526342312 /nfs/dbraw/zinc/34/23/12/526342312.db2.gz KHKBYCNNIUTCRL-UHFFFAOYSA-N 0 0 298.180 2.518 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000365147363 526346218 /nfs/dbraw/zinc/34/62/18/526346218.db2.gz NUOMZZOYBAADKM-SECBINFHSA-N 0 0 295.745 2.555 20 10 CFCDRN c1nc2ncnc(NCc3ccc(N4CCCC4)cc3)c2[nH]1 ZINC000052007282 526608642 /nfs/dbraw/zinc/60/86/42/526608642.db2.gz QIGWTRBQGLZTMH-UHFFFAOYSA-N 0 0 294.362 2.565 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccon1 ZINC000183568384 526636859 /nfs/dbraw/zinc/63/68/59/526636859.db2.gz ZTEPPTJEXQSQDF-UHFFFAOYSA-N 0 0 287.319 2.581 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CC=CC1 ZINC000172598179 526680844 /nfs/dbraw/zinc/68/08/44/526680844.db2.gz BKZNNIKTBGLGFL-UHFFFAOYSA-N 0 0 270.376 2.869 20 10 CFCDRN Cn1cc(CN2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000195106268 527203040 /nfs/dbraw/zinc/20/30/40/527203040.db2.gz OZDARTZMSNROCG-UHFFFAOYSA-N 0 0 293.317 2.974 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000237886891 527474308 /nfs/dbraw/zinc/47/43/08/527474308.db2.gz FIBRPXITYOBICU-UHFFFAOYSA-N 0 0 258.365 2.604 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000036826034 527475296 /nfs/dbraw/zinc/47/52/96/527475296.db2.gz QJMYFHAIZKIBKX-GDBMZVCRSA-N 0 0 272.392 2.993 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000157673682 527477271 /nfs/dbraw/zinc/47/72/71/527477271.db2.gz VQOHZKSLRYFIJB-HNNXBMFYSA-N 0 0 280.371 2.658 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000237942197 527481129 /nfs/dbraw/zinc/48/11/29/527481129.db2.gz VPEAFHFWEZSAAP-IAGOWNOFSA-N 0 0 298.361 2.870 20 10 CFCDRN Nc1ccc(CNC(=O)CCCc2cccs2)cc1 ZINC000037666272 527481783 /nfs/dbraw/zinc/48/17/83/527481783.db2.gz CCOKGPYCZYMZOB-UHFFFAOYSA-N 0 0 274.389 2.969 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000297253711 527482516 /nfs/dbraw/zinc/48/25/16/527482516.db2.gz QXTQZBHKSWMMJS-PKOBYXMFSA-N 0 0 292.382 2.789 20 10 CFCDRN CC(C)[N@H+](CCC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000736469073 574056933 /nfs/dbraw/zinc/05/69/33/574056933.db2.gz XUYHYJKPOJNPQN-UHFFFAOYSA-N 0 0 277.364 2.566 20 10 CFCDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000753574362 574064585 /nfs/dbraw/zinc/06/45/85/574064585.db2.gz CXDQJZWVLNWXCY-OQPBUACISA-N 0 0 273.735 2.842 20 10 CFCDRN COc1c(C)cnc(COC(=O)C2=CC(=O)CS2)c1C ZINC000736824849 574079100 /nfs/dbraw/zinc/07/91/00/574079100.db2.gz JUEQBGWHLBGFKD-UHFFFAOYSA-N 0 0 293.344 2.831 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCN(C)c3ccccc32)cn1 ZINC000754256735 574084563 /nfs/dbraw/zinc/08/45/63/574084563.db2.gz CVFDTDJZSGDVLV-KTKRTIGZSA-N 0 0 293.370 2.886 20 10 CFCDRN CN(C)c1cc(CN(C)c2ccc3c(c2)OCO3)ccn1 ZINC000754075070 574087812 /nfs/dbraw/zinc/08/78/12/574087812.db2.gz MFANVNMWTZVXLO-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)C2=CC(=O)CS2)[nH]1 ZINC000754425931 574095190 /nfs/dbraw/zinc/09/51/90/574095190.db2.gz NPBYQRUPQSWSBM-JGVFFNPUSA-N 0 0 294.380 2.576 20 10 CFCDRN Cc1nc(C(C)(C)NCc2cc(C)cc(C)c2O)no1 ZINC000754726477 574116915 /nfs/dbraw/zinc/11/69/15/574116915.db2.gz JNDYGYDGZZQGFC-UHFFFAOYSA-N 0 0 275.352 2.725 20 10 CFCDRN CN(C)c1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000728840150 574118852 /nfs/dbraw/zinc/11/88/52/574118852.db2.gz ODHWLMLPWCFBDS-WDZFZDKYSA-N 0 0 281.359 2.824 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756598500 574127322 /nfs/dbraw/zinc/12/73/22/574127322.db2.gz TZNXCMRHIMTVNH-ZANVPECISA-N 0 0 273.323 2.992 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@H]1c1ccccc1 ZINC000754904944 574127505 /nfs/dbraw/zinc/12/75/05/574127505.db2.gz BYGOYMDWTLRKQP-ZDUSSCGKSA-N 0 0 289.356 2.667 20 10 CFCDRN Cc1cccc(CCNC(=O)C2=CC(=O)CS2)c1 ZINC000731872764 574131766 /nfs/dbraw/zinc/13/17/66/574131766.db2.gz QEZWGGQFWLVPCH-UHFFFAOYSA-N 0 0 261.346 2.735 20 10 CFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1nc2ccccc2[nH]1 ZINC000731868331 574132723 /nfs/dbraw/zinc/13/27/23/574132723.db2.gz CMSVKWHZBHWELV-QMMMGPOBSA-N 0 0 287.344 2.821 20 10 CFCDRN Cc1ccccc1OCCOC(=O)C1=CC(=O)CS1 ZINC000731910210 574133229 /nfs/dbraw/zinc/13/32/29/574133229.db2.gz OSTNMPDWCRVPKL-UHFFFAOYSA-N 0 0 278.329 2.998 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)Nc2ccon2)cc1 ZINC000746158575 574137551 /nfs/dbraw/zinc/13/75/51/574137551.db2.gz AYDNVUBCRDYWHD-UHFFFAOYSA-N 0 0 289.335 2.538 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737493507 574144871 /nfs/dbraw/zinc/14/48/71/574144871.db2.gz BTHDLUMTKOIKJV-OAHLLOKOSA-N 0 0 271.316 2.650 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc3ccccc3n2)cc1 ZINC000746322976 574145536 /nfs/dbraw/zinc/14/55/36/574145536.db2.gz MFRFTVPHQXUHPV-UHFFFAOYSA-N 0 0 277.327 2.998 20 10 CFCDRN C[C@@H](CCc1ccco1)NC(=O)C1=CC(=O)CS1 ZINC000732258538 574147312 /nfs/dbraw/zinc/14/73/12/574147312.db2.gz SYGLJOGZBIHSRE-VIFPVBQESA-N 0 0 265.334 2.798 20 10 CFCDRN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)C1=CC(=O)CS1 ZINC000732278415 574148279 /nfs/dbraw/zinc/14/82/79/574148279.db2.gz MDZAACWCRLSVOE-NEPJUHHUSA-N 0 0 277.320 2.879 20 10 CFCDRN COCCOc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732275123 574148517 /nfs/dbraw/zinc/14/85/17/574148517.db2.gz YOQWOEZGLVGHBJ-UHFFFAOYSA-N 0 0 293.344 2.731 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2cc(F)c(F)cc21 ZINC000732270949 574148784 /nfs/dbraw/zinc/14/87/84/574148784.db2.gz YWUBPQWYJJAAAY-UHFFFAOYSA-N 0 0 281.283 2.935 20 10 CFCDRN CC(C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000732275907 574149108 /nfs/dbraw/zinc/14/91/08/574149108.db2.gz RIVWYNRXCHUZKC-UHFFFAOYSA-N 0 0 278.333 2.888 20 10 CFCDRN Cc1cccc(OC[C@@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732276051 574149242 /nfs/dbraw/zinc/14/92/42/574149242.db2.gz DYRWLKKJRSBDEV-LLVKDONJSA-N 0 0 291.372 2.959 20 10 CFCDRN CCOc1cncc(NCCCSc2nccs2)n1 ZINC000746460787 574150066 /nfs/dbraw/zinc/15/00/66/574150066.db2.gz JKSNZYJCGHIMAE-UHFFFAOYSA-N 0 0 296.421 2.926 20 10 CFCDRN CCOc1ccc(CNC(=O)C2=CC(=O)CS2)cc1F ZINC000732288902 574150541 /nfs/dbraw/zinc/15/05/41/574150541.db2.gz JWXRETMZVBNQNT-UHFFFAOYSA-N 0 0 295.335 2.922 20 10 CFCDRN O=C(OCc1ccnc(Cl)c1)C1=CC(=O)CS1 ZINC000732354642 574153373 /nfs/dbraw/zinc/15/33/73/574153373.db2.gz PESYCKBQTWCJPM-UHFFFAOYSA-N 0 0 269.709 2.859 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1F ZINC000740702138 574164638 /nfs/dbraw/zinc/16/46/38/574164638.db2.gz NKNLHGVTWMFRES-OAHLLOKOSA-N 0 0 298.361 2.848 20 10 CFCDRN CC(C)CO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746805322 574166782 /nfs/dbraw/zinc/16/67/82/574166782.db2.gz RMIXERUXDDUYTO-GFCCVEGCSA-N 0 0 296.386 2.569 20 10 CFCDRN COc1cccc(CNc2cc(C(C)C)ncn2)c1O ZINC000732922362 574178557 /nfs/dbraw/zinc/17/85/57/574178557.db2.gz ZSRMMBCGTDDLCB-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN CN(C)c1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000747100691 574179697 /nfs/dbraw/zinc/17/96/97/574179697.db2.gz NNCQLCWWICRJDE-UHFFFAOYSA-N 0 0 297.811 2.858 20 10 CFCDRN COc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752766304 574179911 /nfs/dbraw/zinc/17/99/11/574179911.db2.gz KEYJYDLSZAQRBE-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN CCN(CCSC)c1ccc(OC)c(OC)c1 ZINC000747682315 574206484 /nfs/dbraw/zinc/20/64/84/574206484.db2.gz XYTAQDBAFAZTEG-UHFFFAOYSA-N 0 0 255.383 2.893 20 10 CFCDRN O=C1NC(=S)S/C1=C/C=C\c1ccc(F)cc1 ZINC000747698522 574207394 /nfs/dbraw/zinc/20/73/94/574207394.db2.gz LDRZKOCUACZNRT-ACMIUEAZSA-N 0 0 265.334 2.871 20 10 CFCDRN Cc1noc([C@@H](C)NCc2c(O)cccc2Cl)n1 ZINC000733328646 574221670 /nfs/dbraw/zinc/22/16/70/574221670.db2.gz YJMJEYBMSAKSKP-SSDOTTSWSA-N 0 0 267.716 2.588 20 10 CFCDRN CCOc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000733332322 574222757 /nfs/dbraw/zinc/22/27/57/574222757.db2.gz ZDCGGQTYZIFOGE-NSHDSACASA-N 0 0 295.379 2.611 20 10 CFCDRN Cc1nc(CCC(=O)N(C)Cc2ccccc2O)cs1 ZINC000733359769 574224039 /nfs/dbraw/zinc/22/40/39/574224039.db2.gz DZJWFORIDREKMJ-UHFFFAOYSA-N 0 0 290.388 2.748 20 10 CFCDRN CCOCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342444 574227095 /nfs/dbraw/zinc/22/70/95/574227095.db2.gz OZFNNGKUVCLAAK-SECBINFHSA-N 0 0 259.296 2.748 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC000756359741 574229403 /nfs/dbraw/zinc/22/94/03/574229403.db2.gz FHAHIZISDAHABO-AWEZNQCLSA-N 0 0 278.396 2.732 20 10 CFCDRN CCC[C@H](C)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756384301 574231923 /nfs/dbraw/zinc/23/19/23/574231923.db2.gz AGLXTKZCHZYXCK-WFASDCNBSA-N 0 0 291.391 2.991 20 10 CFCDRN C[C@@H]([NH2+]CCc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756396990 574233499 /nfs/dbraw/zinc/23/34/99/574233499.db2.gz RGUHRJOOWHDFJT-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000740133133 574238895 /nfs/dbraw/zinc/23/88/95/574238895.db2.gz XNNBJRVNVDEHDU-UHFFFAOYSA-N 0 0 283.327 2.610 20 10 CFCDRN C[C@H]([NH2+]CCOC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756490569 574241200 /nfs/dbraw/zinc/24/12/00/574241200.db2.gz PVYLCXZXTWCWGE-NSHDSACASA-N 0 0 294.351 2.910 20 10 CFCDRN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccn(C)n1 ZINC000756498315 574241537 /nfs/dbraw/zinc/24/15/37/574241537.db2.gz UZZFMQIOPDHRLH-AWEZNQCLSA-N 0 0 290.386 2.866 20 10 CFCDRN CC(C)CCOCCOC(=O)C1=CC(=O)CS1 ZINC000733496401 574242201 /nfs/dbraw/zinc/24/22/01/574242201.db2.gz IEPAVAYUZWGZLH-UHFFFAOYSA-N 0 0 258.339 2.673 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756513257 574242700 /nfs/dbraw/zinc/24/27/00/574242700.db2.gz GNVAOBJCGGWBNN-MRVPVSSYSA-N 0 0 295.333 2.872 20 10 CFCDRN COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756527958 574243722 /nfs/dbraw/zinc/24/37/22/574243722.db2.gz SATFMDTYJGBWLE-RKDXNWHRSA-N 0 0 259.296 2.746 20 10 CFCDRN CCCN(Cc1ccccc1O)Cc1nccc(C)n1 ZINC000756544363 574245669 /nfs/dbraw/zinc/24/56/69/574245669.db2.gz OXFXVKGNMWQNOV-UHFFFAOYSA-N 0 0 271.364 2.903 20 10 CFCDRN Cn1c(C(=O)NCc2ccccc2O)cc2ccccc21 ZINC000748346520 574247766 /nfs/dbraw/zinc/24/77/66/574247766.db2.gz ZZKJDLIKCZOQOW-UHFFFAOYSA-N 0 0 280.327 2.814 20 10 CFCDRN Cc1cccc(C)c1OCC(=O)NCc1ccccc1O ZINC000748354966 574248831 /nfs/dbraw/zinc/24/88/31/574248831.db2.gz QYODOVOIZWAKCE-UHFFFAOYSA-N 0 0 285.343 2.704 20 10 CFCDRN Cc1ccc(C(=O)CCC(=O)NCc2ccccc2O)cc1 ZINC000748355254 574248862 /nfs/dbraw/zinc/24/88/62/574248862.db2.gz WPJMJYMZOSDKPR-UHFFFAOYSA-N 0 0 297.354 2.980 20 10 CFCDRN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000748353623 574249003 /nfs/dbraw/zinc/24/90/03/574249003.db2.gz BWFVXNGRXXZTKL-NSHDSACASA-N 0 0 289.306 2.615 20 10 CFCDRN CCCCN(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756576773 574249933 /nfs/dbraw/zinc/24/99/33/574249933.db2.gz OMZIOPFYNLBSBO-LBPRGKRZSA-N 0 0 268.376 2.914 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756577924 574250074 /nfs/dbraw/zinc/25/00/74/574250074.db2.gz SQKOOKWNWIHNNC-XPTSAGLGSA-N 0 0 273.323 2.728 20 10 CFCDRN CCN(Cc1nccn1CC)Cc1ccc(N(C)C)cc1 ZINC000730081662 574251583 /nfs/dbraw/zinc/25/15/83/574251583.db2.gz VLJGOQSQKUGCPN-UHFFFAOYSA-N 0 0 286.423 2.991 20 10 CFCDRN CCN(CCn1cc(C)cn1)c1ccc(OC)c(OC)c1 ZINC000730084058 574251758 /nfs/dbraw/zinc/25/17/58/574251758.db2.gz CDIKMHFGULAQGD-UHFFFAOYSA-N 0 0 289.379 2.735 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756619025 574252576 /nfs/dbraw/zinc/25/25/76/574252576.db2.gz VURVKXIVJDEQGP-QWRGUYRKSA-N 0 0 284.350 2.805 20 10 CFCDRN CC(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748443479 574252713 /nfs/dbraw/zinc/25/27/13/574252713.db2.gz PREURNKNERYQBX-UHFFFAOYSA-N 0 0 299.330 2.672 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc(F)cc(F)c1 ZINC000748442818 574252752 /nfs/dbraw/zinc/25/27/52/574252752.db2.gz KBWSNNPXIPPMEQ-UHFFFAOYSA-N 0 0 278.258 2.992 20 10 CFCDRN O=C(NCCc1cccc(F)c1)NCc1ccccc1O ZINC000748462561 574254031 /nfs/dbraw/zinc/25/40/31/574254031.db2.gz FBSVPBSFPODSNE-UHFFFAOYSA-N 0 0 288.322 2.573 20 10 CFCDRN C[C@@H](NCc1ccon1)c1ccc(Br)cc1O ZINC000756637575 574254251 /nfs/dbraw/zinc/25/42/51/574254251.db2.gz NVQAXDSGUKDBOY-MRVPVSSYSA-N 0 0 297.152 2.994 20 10 CFCDRN C[C@H]([NH2+]CCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648210 574255301 /nfs/dbraw/zinc/25/53/01/574255301.db2.gz HWUZBXRUJZSYJV-ZETCQYMHSA-N 0 0 278.230 2.903 20 10 CFCDRN COC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645785 574255459 /nfs/dbraw/zinc/25/54/59/574255459.db2.gz JWKJHLRFFIJMEY-MRVPVSSYSA-N 0 0 259.296 2.746 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756647168 574255467 /nfs/dbraw/zinc/25/54/67/574255467.db2.gz QYKFBENUCKRGHH-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN CC1=CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000756694456 574257640 /nfs/dbraw/zinc/25/76/40/574257640.db2.gz RCHBUTHVEJCNOS-UHFFFAOYSA-N 0 0 299.418 2.931 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C\c1cnn(C)c1 ZINC000748578734 574259177 /nfs/dbraw/zinc/25/91/77/574259177.db2.gz WFIMMQBEDHUNRC-SCXUMTSISA-N 0 0 297.358 2.556 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccnnc2)cc1 ZINC000756746276 574260457 /nfs/dbraw/zinc/26/04/57/574260457.db2.gz TWMLXDDJBLRWCQ-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768018 574261034 /nfs/dbraw/zinc/26/10/34/574261034.db2.gz IBVOMOOMXPJVQH-SECBINFHSA-N 0 0 291.282 2.685 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cc1[O-] ZINC000756769402 574261269 /nfs/dbraw/zinc/26/12/69/574261269.db2.gz QDNWFZPVKNSHTC-SECBINFHSA-N 0 0 264.275 2.916 20 10 CFCDRN C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000740680165 574262174 /nfs/dbraw/zinc/26/21/74/574262174.db2.gz MDZMPZUWHWMGOB-STQMWFEESA-N 0 0 275.396 2.693 20 10 CFCDRN Cc1cncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756784561 574262717 /nfs/dbraw/zinc/26/27/17/574262717.db2.gz NXUHPEGHVJVMBQ-NSHDSACASA-N 0 0 287.319 2.855 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000756786007 574262733 /nfs/dbraw/zinc/26/27/33/574262733.db2.gz WLMBILTTXIBWKE-GHMZBOCLSA-N 0 0 288.347 2.919 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(F)cc(F)c1[O-] ZINC000756784967 574262810 /nfs/dbraw/zinc/26/28/10/574262810.db2.gz RDEOFAAYMQDVCW-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN Cc1nc(C(=O)N(C)Cc2ccccc2O)c2ccccn12 ZINC000740745006 574265473 /nfs/dbraw/zinc/26/54/73/574265473.db2.gz FBJVFBDUILAPPI-UHFFFAOYSA-N 0 0 295.342 2.621 20 10 CFCDRN CC(C)SCC(=O)NCCCSc1nccs1 ZINC000733973630 574266339 /nfs/dbraw/zinc/26/63/39/574266339.db2.gz SMZAVCHOWLRLSM-UHFFFAOYSA-N 0 0 290.479 2.883 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OCC(C)C ZINC000734406633 574285592 /nfs/dbraw/zinc/28/55/92/574285592.db2.gz YYSWVNCHXIQGBZ-AWEZNQCLSA-N 0 0 292.423 2.738 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccco1 ZINC000734407320 574285852 /nfs/dbraw/zinc/28/58/52/574285852.db2.gz MYTAZBHRVUZXHA-UHFFFAOYSA-N 0 0 286.375 2.903 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)C ZINC000734526482 574291835 /nfs/dbraw/zinc/29/18/35/574291835.db2.gz UXNWDEOFWJTUCL-UHFFFAOYSA-N 0 0 277.412 2.906 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccoc1 ZINC000734526925 574291887 /nfs/dbraw/zinc/29/18/87/574291887.db2.gz XTBQTZQHPMOOBC-UHFFFAOYSA-N 0 0 287.363 2.653 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)C1 ZINC000734687138 574297551 /nfs/dbraw/zinc/29/75/51/574297551.db2.gz KCXIVDMCQBUNLW-GFCCVEGCSA-N 0 0 275.396 2.612 20 10 CFCDRN COc1ccc(O)c(CNc2cc(C)nc(C3CC3)n2)c1 ZINC000734834002 574305281 /nfs/dbraw/zinc/30/52/81/574305281.db2.gz XBEYQNCAYFLZLT-UHFFFAOYSA-N 0 0 285.347 2.989 20 10 CFCDRN CS(=O)(=O)c1ccc(Sc2nccs2)cc1 ZINC000749892455 574314189 /nfs/dbraw/zinc/31/41/89/574314189.db2.gz KITMIFAHRSEISU-UHFFFAOYSA-N 0 0 271.388 2.698 20 10 CFCDRN CCCOCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742468859 574331367 /nfs/dbraw/zinc/33/13/67/574331367.db2.gz QQYKQTLSAMBOPW-UHFFFAOYSA-N 0 0 290.407 2.720 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000742468893 574331573 /nfs/dbraw/zinc/33/15/73/574331573.db2.gz RRZKEASICORTGF-UHFFFAOYSA-N 0 0 298.390 2.638 20 10 CFCDRN O=C(/C=C/c1ccsc1)NCCc1ccc(O)c(O)c1 ZINC000750791697 574355757 /nfs/dbraw/zinc/35/57/57/574355757.db2.gz NTUCOPAURXHEKR-DUXPYHPUSA-N 0 0 289.356 2.531 20 10 CFCDRN CCSCC[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000743807680 574372641 /nfs/dbraw/zinc/37/26/41/574372641.db2.gz RACGHUDLBXWRFO-QMMMGPOBSA-N 0 0 259.396 2.715 20 10 CFCDRN CCCCOC(=O)[C@H](C)N(C)c1ccc(OC)cc1OC ZINC000752126864 574388358 /nfs/dbraw/zinc/38/83/58/574388358.db2.gz WAAVYUOSIULJRM-LBPRGKRZSA-N 0 0 295.379 2.872 20 10 CFCDRN Cn1cc(/C=C/C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000752480261 574391792 /nfs/dbraw/zinc/39/17/92/574391792.db2.gz ROKQYIGUIFRBMO-MDZDMXLPSA-N 0 0 281.359 2.877 20 10 CFCDRN CC1CC(NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000753024368 574397654 /nfs/dbraw/zinc/39/76/54/574397654.db2.gz VLDXBNBQAKVCPL-UHFFFAOYSA-N 0 0 288.391 2.869 20 10 CFCDRN Cc1cc(Br)cc(CN2CC(F)C2)c1O ZINC000753577382 574405163 /nfs/dbraw/zinc/40/51/63/574405163.db2.gz USTPIIZLAQIZLU-UHFFFAOYSA-N 0 0 274.133 2.617 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2c(O)cccc21 ZINC000935429004 649906886 /nfs/dbraw/zinc/90/68/86/649906886.db2.gz QCCGXBLBZZCZRM-DGMVEKRQSA-N 0 0 297.358 2.679 20 10 CFCDRN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000043430868 598197412 /nfs/dbraw/zinc/19/74/12/598197412.db2.gz CTLXNIAIBITKHU-BXUZGUMPSA-N 0 0 264.369 2.512 20 10 CFCDRN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000086728318 600419983 /nfs/dbraw/zinc/41/99/83/600419983.db2.gz SIOYMHIIWVEVSJ-CYBMUJFWSA-N 0 0 285.343 2.842 20 10 CFCDRN Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc1C ZINC000832900326 600809874 /nfs/dbraw/zinc/80/98/74/600809874.db2.gz XOYSBTWKVMJGPR-UHFFFAOYSA-N 0 0 275.304 2.590 20 10 CFCDRN CCOc1cccc(C[NH2+]C(CC)(CC)CC(=O)[O-])c1O ZINC000830104322 601261782 /nfs/dbraw/zinc/26/17/82/601261782.db2.gz FZJAXYZABFSADA-UHFFFAOYSA-N 0 0 295.379 2.914 20 10 CFCDRN CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000900261499 620655871 /nfs/dbraw/zinc/65/58/71/620655871.db2.gz RZNTYDUEQHJDML-CZUORRHYSA-N 0 0 292.423 2.556 20 10 CFCDRN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000833827838 605682183 /nfs/dbraw/zinc/68/21/83/605682183.db2.gz BCEGMNXVRYNVFQ-VHSXEESVSA-N 0 0 298.770 2.524 20 10 CFCDRN C[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000253592805 651063872 /nfs/dbraw/zinc/06/38/72/651063872.db2.gz ZDWDKGWZEFAUDC-VHDGCEQUSA-N 0 0 289.375 2.556 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000833662666 605930035 /nfs/dbraw/zinc/93/00/35/605930035.db2.gz JTSDYRFFMXIRHL-AWEZNQCLSA-N 0 0 293.363 2.620 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC(C)(C)C1 ZINC000935945991 649963871 /nfs/dbraw/zinc/96/38/71/649963871.db2.gz SCKOUNWYAWNZLK-UHFFFAOYSA-N 0 0 282.380 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000935944936 649963963 /nfs/dbraw/zinc/96/39/63/649963963.db2.gz DWMGFKCXBHSGQI-JHJVBQTASA-N 0 0 294.391 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC12CCC2 ZINC000935948466 649964745 /nfs/dbraw/zinc/96/47/45/649964745.db2.gz MUJYTPAEHHCHTQ-LLVKDONJSA-N 0 0 280.364 2.684 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)C(F)(F)F ZINC000935949200 649964577 /nfs/dbraw/zinc/96/45/77/649964577.db2.gz VEBJOYHTSZYTBN-MRVPVSSYSA-N 0 0 296.285 2.693 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](C)C2)cc1Cl ZINC000824542209 623520569 /nfs/dbraw/zinc/52/05/69/623520569.db2.gz QMJJFYXLTJOEQS-SNVBAGLBSA-N 0 0 255.745 2.575 20 10 CFCDRN O=C(CSC(F)(F)F)NCc1cccc(Cl)c1O ZINC000890758009 617834967 /nfs/dbraw/zinc/83/49/67/617834967.db2.gz PPLXAEQSHHIPCO-UHFFFAOYSA-N 0 0 299.701 2.915 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760673 617837926 /nfs/dbraw/zinc/83/79/26/617837926.db2.gz VTABBYKPSCWWJG-QMMMGPOBSA-N 0 0 273.785 2.661 20 10 CFCDRN O=C(C[C@H]1CCCCO1)NCc1cccc(Cl)c1O ZINC000890760658 617838112 /nfs/dbraw/zinc/83/81/12/617838112.db2.gz 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/nfs/dbraw/zinc/76/83/92/617768392.db2.gz AIZJYFRZQUVWTR-PQMHYQBVSA-N 0 0 288.391 2.746 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)Cc2ccccc2O)c1 ZINC000255038712 617782366 /nfs/dbraw/zinc/78/23/66/617782366.db2.gz KZMGKQMFVMAERP-FPLPWBNLSA-N 0 0 282.343 2.767 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000176138340 617801261 /nfs/dbraw/zinc/80/12/61/617801261.db2.gz ZXNXGVZCRPUPKY-CUOATXAZSA-N 0 0 275.348 2.624 20 10 CFCDRN CC(C)CO[C@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890757476 617834537 /nfs/dbraw/zinc/83/45/37/617834537.db2.gz FDDLKKCMTCHWBJ-SNVBAGLBSA-N 0 0 285.771 2.723 20 10 CFCDRN CCC1(C(=O)NCc2cccc(Cl)c2O)CCOCC1 ZINC000890760043 617835371 /nfs/dbraw/zinc/83/53/71/617835371.db2.gz ZEYIZBUHWHYKGX-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN CC(C)COCCC(=O)NCc1cccc(Cl)c1O ZINC000890757959 617836069 /nfs/dbraw/zinc/83/60/69/617836069.db2.gz OIJPKNYQWFHYSO-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)n1ccnc1 ZINC000890761428 617840275 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/nfs/dbraw/zinc/34/28/25/619342825.db2.gz RCAJUHGHKXORRJ-MWLCHTKSSA-N 0 0 299.392 2.551 20 10 CFCDRN Cc1ccc(O)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000018214998 619419411 /nfs/dbraw/zinc/41/94/11/619419411.db2.gz SPYLWDJVWMPYPQ-UHFFFAOYSA-N 0 0 284.359 2.697 20 10 CFCDRN COc1cc(C)cc(CNC(C)(C)C(F)F)c1O ZINC000894602630 619425890 /nfs/dbraw/zinc/42/58/90/619425890.db2.gz CNRPBDQGMRMODZ-UHFFFAOYSA-N 0 0 259.296 2.843 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(CO)CCC1 ZINC000894827255 619474997 /nfs/dbraw/zinc/47/49/97/619474997.db2.gz BOPWKBWJBRZYIW-HNNXBMFYSA-N 0 0 299.361 2.947 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000894856589 619484886 /nfs/dbraw/zinc/48/48/86/619484886.db2.gz YXXCCMJLPSKRHP-ZDUSSCGKSA-N 0 0 283.318 2.550 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)c1ccccc1 ZINC000894884264 619497873 /nfs/dbraw/zinc/49/78/73/619497873.db2.gz VYUNCBBWKXCPTI-HNNXBMFYSA-N 0 0 293.313 2.836 20 10 CFCDRN CC1(C)[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]2CCCO[C@H]21 ZINC000841299545 619540499 /nfs/dbraw/zinc/54/04/99/619540499.db2.gz IQRQKUYJWYHBBY-MGPQQGTHSA-N 0 0 289.379 2.594 20 10 CFCDRN CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000895577598 619559002 /nfs/dbraw/zinc/55/90/02/619559002.db2.gz OFRHIGAHLPJALK-LBPRGKRZSA-N 0 0 275.270 2.545 20 10 CFCDRN CCc1ccc(NCc2cc(OC)c(OC)cc2O)nc1 ZINC000895695096 619583556 /nfs/dbraw/zinc/58/35/56/619583556.db2.gz RRZSNDCWVYZSGR-UHFFFAOYSA-N 0 0 288.347 2.979 20 10 CFCDRN Oc1cccc(Cl)c1CNCc1nc(C(F)F)no1 ZINC000895726577 619592476 /nfs/dbraw/zinc/59/24/76/619592476.db2.gz FAIYWGUJEWKHOQ-UHFFFAOYSA-N 0 0 289.669 2.656 20 10 CFCDRN COc1ccc(CNCc2nc(C(F)F)no2)cc1C ZINC000895729169 619592808 /nfs/dbraw/zinc/59/28/08/619592808.db2.gz NMEJNXUCGYJCST-UHFFFAOYSA-N 0 0 283.278 2.614 20 10 CFCDRN CC(C)c1nnc(CN2Cc3cccc(O)c3C2)s1 ZINC000895785201 619606362 /nfs/dbraw/zinc/60/63/62/619606362.db2.gz OYWFWCFGNVRMGH-UHFFFAOYSA-N 0 0 275.377 2.883 20 10 CFCDRN Cc1nn(C)c(CN2Cc3cccc(O)c3C2)c1Cl ZINC000895785814 619606741 /nfs/dbraw/zinc/60/67/41/619606741.db2.gz UWWLYGRISYJTDG-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)ccc(F)c1F ZINC000895788733 619607057 /nfs/dbraw/zinc/60/70/57/619607057.db2.gz FUXXFEQEVOIFRX-NSHDSACASA-N 0 0 283.318 2.719 20 10 CFCDRN CCCc1nsc(NCc2c(O)cccc2F)n1 ZINC000895832828 619619196 /nfs/dbraw/zinc/61/91/96/619619196.db2.gz NKDCZBWHYNHVTQ-UHFFFAOYSA-N 0 0 267.329 2.947 20 10 CFCDRN CC1CC(CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000895925547 619635970 /nfs/dbraw/zinc/63/59/70/619635970.db2.gz CULISJOZOMRWFW-UHFFFAOYSA-N 0 0 282.771 2.891 20 10 CFCDRN Oc1c(C[N@@H+]2CC[C@H](C3OCCO3)C2)ccc2ccccc21 ZINC000896380421 619728988 /nfs/dbraw/zinc/72/89/88/619728988.db2.gz HNAJBQPSYPPWAR-HNNXBMFYSA-N 0 0 299.370 2.740 20 10 CFCDRN COc1c(C)cnc(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896643190 619777894 /nfs/dbraw/zinc/77/78/94/619777894.db2.gz STMITJPMHNNXJO-UHFFFAOYSA-N 0 0 290.338 2.842 20 10 CFCDRN CO[C@H](C[NH2+]Cc1c([O-])cccc1F)CC(C)C ZINC000896636326 619779979 /nfs/dbraw/zinc/77/99/79/619779979.db2.gz BGSLUSOLPVECLP-NSHDSACASA-N 0 0 255.333 2.682 20 10 CFCDRN COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637121 619780032 /nfs/dbraw/zinc/78/00/32/619780032.db2.gz HPJXGKGZADYCDW-NSHDSACASA-N 0 0 297.370 2.989 20 10 CFCDRN CC[C@@H](C)[C@H](C[NH2+]Cc1c([O-])cccc1F)OC ZINC000896638095 619780520 /nfs/dbraw/zinc/78/05/20/619780520.db2.gz OLPSKWYTQWNGQP-YGRLFVJLSA-N 0 0 255.333 2.682 20 10 CFCDRN COCc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896639277 619781006 /nfs/dbraw/zinc/78/10/06/619781006.db2.gz CGWPGFDOHJWQCT-UHFFFAOYSA-N 0 0 275.323 2.968 20 10 CFCDRN CCOC1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896639796 619781421 /nfs/dbraw/zinc/78/14/21/619781421.db2.gz XMAZDBNYRQLBIX-UHFFFAOYSA-N 0 0 267.344 2.969 20 10 CFCDRN COc1cc(Cl)cc(CN2CCn3cccc3C2)c1O ZINC000896761669 619808753 /nfs/dbraw/zinc/80/87/53/619808753.db2.gz UBRGPBWADPIUDT-UHFFFAOYSA-N 0 0 292.766 2.872 20 10 CFCDRN CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000896962675 619905487 /nfs/dbraw/zinc/90/54/87/619905487.db2.gz QAPHOHMNLLRTQJ-AWEZNQCLSA-N 0 0 299.370 2.930 20 10 CFCDRN NC(=O)Cc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000148129384 619914460 /nfs/dbraw/zinc/91/44/60/619914460.db2.gz AIDIZCUMEVQLBH-UHFFFAOYSA-N 0 0 290.750 2.686 20 10 CFCDRN CC[C@H](CSC)N(C)C(=O)Nc1ccc(N)cc1 ZINC000167721203 619931141 /nfs/dbraw/zinc/93/11/41/619931141.db2.gz KVVSABHAUXHSFG-GFCCVEGCSA-N 0 0 267.398 2.874 20 10 CFCDRN Cn1nc(C2CC2)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000897224052 619953736 /nfs/dbraw/zinc/95/37/36/619953736.db2.gz FWQFUNROYUTXAG-UHFFFAOYSA-N 0 0 291.782 2.946 20 10 CFCDRN Cc1cccc(C[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000897224323 619954061 /nfs/dbraw/zinc/95/40/61/619954061.db2.gz NSEJGXNKUZHRRO-UHFFFAOYSA-N 0 0 271.364 2.601 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000889609185 619986115 /nfs/dbraw/zinc/98/61/15/619986115.db2.gz BFHNOXYPDPSPEO-KGYLQXTDSA-N 0 0 286.335 2.767 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCCC2)c1 ZINC000728983672 620048009 /nfs/dbraw/zinc/04/80/09/620048009.db2.gz CKEGDMLIJXOOGY-SNVBAGLBSA-N 0 0 263.337 2.768 20 10 CFCDRN CCc1noc(C)c1NC(=O)c1ccc(C)c(O)c1O ZINC000182903551 625395220 /nfs/dbraw/zinc/39/52/20/625395220.db2.gz XFCWMSZDDDNBRS-UHFFFAOYSA-N 0 0 276.292 2.517 20 10 CFCDRN CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(C)c1O ZINC000840997794 620116445 /nfs/dbraw/zinc/11/64/45/620116445.db2.gz FDYNAHHULHXVNE-UHFFFAOYSA-N 0 0 271.744 2.651 20 10 CFCDRN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccccc1O ZINC000897523208 620203958 /nfs/dbraw/zinc/20/39/58/620203958.db2.gz RSOKBMKWWMJKAE-ZDUSSCGKSA-N 0 0 291.313 2.965 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)NCCc1ccc(N)cc1 ZINC000237391380 620215345 /nfs/dbraw/zinc/21/53/45/620215345.db2.gz JYWVMDCCZRKUHV-CZUORRHYSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841753881 620236531 /nfs/dbraw/zinc/23/65/31/620236531.db2.gz XRLIYKVPIHXWMA-AQUOVQTQSA-N 0 0 269.772 2.856 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841753887 620236667 /nfs/dbraw/zinc/23/66/67/620236667.db2.gz XRLIYKVPIHXWMA-CKLFPEKLSA-N 0 0 269.772 2.856 20 10 CFCDRN Cc1cc(NS(=O)(=O)c2cc(F)ccc2C)ccc1O ZINC000148629816 620250325 /nfs/dbraw/zinc/25/03/25/620250325.db2.gz PBPILVZCKWHSBO-UHFFFAOYSA-N 0 0 295.335 2.949 20 10 CFCDRN CCn1cc(CN(C)c2ccc(OC(C)C)cc2)nn1 ZINC000897594259 620253861 /nfs/dbraw/zinc/25/38/61/620253861.db2.gz PEXFUTCARZISML-UHFFFAOYSA-N 0 0 274.368 2.722 20 10 CFCDRN CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000841761047 620255970 /nfs/dbraw/zinc/25/59/70/620255970.db2.gz AQQGSRCEYXIQQA-CYBMUJFWSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]1CC2(CC([NH2+]Cc3ccc(F)c(F)c3[O-])C2)CO1 ZINC000897774826 620279534 /nfs/dbraw/zinc/27/95/34/620279534.db2.gz VQKIOOQZPNWAIZ-IEBVAXJPSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@@H]1CC2(CC([NH2+]Cc3ccc(F)c(F)c3[O-])C2)CO1 ZINC000897774827 620279657 /nfs/dbraw/zinc/27/96/57/620279657.db2.gz VQKIOOQZPNWAIZ-IWPPJYEWSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000897853919 620294645 /nfs/dbraw/zinc/29/46/45/620294645.db2.gz PZWWKMHCJZNRRC-YUMQZZPRSA-N 0 0 277.345 2.793 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)ccc(F)c1F ZINC000897960086 620312677 /nfs/dbraw/zinc/31/26/77/620312677.db2.gz YSLDNJYURIBHIP-PTOFAABTSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897979242 620318045 /nfs/dbraw/zinc/31/80/45/620318045.db2.gz YNIKZWOSYULGFD-UHFFFAOYSA-N 0 0 296.361 2.777 20 10 CFCDRN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000898018322 620323648 /nfs/dbraw/zinc/32/36/48/620323648.db2.gz BNDBZJDECRMNIC-DIYOJNKTSA-N 0 0 289.356 2.841 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170227 620342733 /nfs/dbraw/zinc/34/27/33/620342733.db2.gz CPUSTLMDOFQTOB-UHFFFAOYSA-N 0 0 291.778 2.870 20 10 CFCDRN CCn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)n1 ZINC000898214560 620346324 /nfs/dbraw/zinc/34/63/24/620346324.db2.gz DELLBKARAZGHEQ-UHFFFAOYSA-N 0 0 279.771 2.860 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cncs1 ZINC000898224002 620358060 /nfs/dbraw/zinc/35/80/60/620358060.db2.gz MBSJVUSCJDLHMW-SNVBAGLBSA-N 0 0 291.376 2.751 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898286835 620364566 /nfs/dbraw/zinc/36/45/66/620364566.db2.gz MQLYYKVHZDNQDJ-IACUBPJLSA-N 0 0 274.364 2.722 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)Cc1cccnc1)c1ccccc1O ZINC000898311507 620371021 /nfs/dbraw/zinc/37/10/21/620371021.db2.gz WREPUFWYLAXAEA-QWHCGFSZSA-N 0 0 299.374 2.779 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCOCC(F)F ZINC000787163453 620380101 /nfs/dbraw/zinc/38/01/01/620380101.db2.gz UXRWUGRBPGTPLE-UHFFFAOYSA-N 0 0 271.307 2.730 20 10 CFCDRN CC[NH2+][C@H](C)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000841065025 620434429 /nfs/dbraw/zinc/43/44/29/620434429.db2.gz GLHCCFCTMGTSRI-MRVPVSSYSA-N 0 0 277.195 2.787 20 10 CFCDRN Cc1ncccc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000898920726 620505706 /nfs/dbraw/zinc/50/57/06/620505706.db2.gz FKPXBZNAVWHNMP-ZDUSSCGKSA-N 0 0 299.374 2.699 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC/C=C\Cl)c1 ZINC000899054431 620517712 /nfs/dbraw/zinc/51/77/12/620517712.db2.gz YVCSCEQDXMSXRK-JVBZPZKUSA-N 0 0 284.743 2.514 20 10 CFCDRN Cc1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000899173154 620528344 /nfs/dbraw/zinc/52/83/44/620528344.db2.gz KJEFXTLFVQRPNQ-UHFFFAOYSA-N 0 0 288.372 2.550 20 10 CFCDRN C[C@@H](NC(=O)C[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000899181660 620528404 /nfs/dbraw/zinc/52/84/04/620528404.db2.gz JJWYMYCHPXUQRL-VXGBXAGGSA-N 0 0 277.364 2.775 20 10 CFCDRN O=C([C@@H]1CCOC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000899174742 620528816 /nfs/dbraw/zinc/52/88/16/620528816.db2.gz ZSZUSMYNTZKTFM-GFCCVEGCSA-N 0 0 287.359 2.584 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccc(OC)o2)SC1=S ZINC000899340567 620546629 /nfs/dbraw/zinc/54/66/29/620546629.db2.gz FQVFZCSHAISDTI-VURMDHGXSA-N 0 0 269.347 2.509 20 10 CFCDRN Cc1ccc2c(c1)/C(=C/c1cnn(CCF)c1)C(=O)N2C ZINC000901511569 620840580 /nfs/dbraw/zinc/84/05/80/620840580.db2.gz XYNPKEADSYYBKF-ZSOIEALJSA-N 0 0 285.322 2.678 20 10 CFCDRN CCc1ncc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000902203900 620997564 /nfs/dbraw/zinc/99/75/64/620997564.db2.gz CMRUTIUDYSOPIA-UHFFFAOYSA-N 0 0 274.343 2.856 20 10 CFCDRN COc1cc(COc2ccc(N3CCCC3)cc2)on1 ZINC000902283299 621014299 /nfs/dbraw/zinc/01/42/99/621014299.db2.gz IMIKCPIJGNDKTF-UHFFFAOYSA-N 0 0 274.320 2.862 20 10 CFCDRN C[C@@H]([NH2+]CCCON)c1ccc(Cl)c(Cl)c1[O-] ZINC000902422212 621073515 /nfs/dbraw/zinc/07/35/15/621073515.db2.gz DPETWWSUACXDOK-SSDOTTSWSA-N 0 0 279.167 2.630 20 10 CFCDRN CCCn1cc([C@H](C)NCc2ccc(N(C)C)cc2)nn1 ZINC000902727727 621159556 /nfs/dbraw/zinc/15/95/56/621159556.db2.gz BEQBKRZSSMJEHW-ZDUSSCGKSA-N 0 0 287.411 2.605 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903266176 621306196 /nfs/dbraw/zinc/30/61/96/621306196.db2.gz UMXLSCQEPBHZRI-ZXCZTKLOSA-N 0 0 283.318 2.889 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903436854 621374048 /nfs/dbraw/zinc/37/40/48/621374048.db2.gz LDKCXYXSTYAHSJ-QLFBSQMISA-N 0 0 279.355 2.997 20 10 CFCDRN CCCCN(O)C(=O)NCCCSc1nccs1 ZINC000904174529 621542616 /nfs/dbraw/zinc/54/26/16/621542616.db2.gz DKCGALIWSLGLIH-UHFFFAOYSA-N 0 0 289.426 2.826 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccccc1 ZINC000183443488 625498469 /nfs/dbraw/zinc/49/84/69/625498469.db2.gz WEWWEQDHPRBZSM-AORWBKJGSA-N 0 0 297.354 2.858 20 10 CFCDRN CCOc1ccccc1NC[C@H](O)CC1(O)CCCC1 ZINC000905294788 621733698 /nfs/dbraw/zinc/73/36/98/621733698.db2.gz KOEGHEFKLPKFGL-CYBMUJFWSA-N 0 0 279.380 2.553 20 10 CFCDRN COc1ccccc1NC[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905298800 621744858 /nfs/dbraw/zinc/74/48/58/621744858.db2.gz GETPFDRIHWESSI-HOCLYGCPSA-N 0 0 287.359 2.592 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)CC1(O)CCCC1 ZINC000905302691 621745984 /nfs/dbraw/zinc/74/59/84/621745984.db2.gz YDYZMZDYCFDUMS-CQSZACIVSA-N 0 0 293.407 2.943 20 10 CFCDRN O[C@H](CCC1(O)CCC1)CNc1ccccc1OCCF ZINC000905339218 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/nfs/dbraw/zinc/48/86/41/622488641.db2.gz RKQALCLZPMOBJA-QWRGUYRKSA-N 0 0 277.364 2.786 20 10 CFCDRN C/C=C(/C=C/C(=O)NCc1ccc(O)cc1O)CC ZINC000910948807 622488779 /nfs/dbraw/zinc/48/87/79/622488779.db2.gz ARRRXIWZTSYIDW-GQHUZBHDSA-N 0 0 261.321 2.627 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCc2ccccc21 ZINC000910951621 622489461 /nfs/dbraw/zinc/48/94/61/622489461.db2.gz IZOWGKRBQJIBNG-INIZCTEOSA-N 0 0 297.354 2.834 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000910945819 622491741 /nfs/dbraw/zinc/49/17/41/622491741.db2.gz ZQBVFSDMRGKDAP-CABCVRRESA-N 0 0 289.375 2.930 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2ccc(O)cc2O)nc1 ZINC000910944977 622491778 /nfs/dbraw/zinc/49/17/78/622491778.db2.gz QZSMVZNDYJVODQ-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000911661878 622531992 /nfs/dbraw/zinc/53/19/92/622531992.db2.gz ZDHBQZMFJAKZMB-GHMZBOCLSA-N 0 0 288.269 2.707 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@H]2CNc3ccccc32)cc1 ZINC000911783052 622551303 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CC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914905187 623957159 /nfs/dbraw/zinc/95/71/59/623957159.db2.gz GDHMTKTXFPSKGO-CYBMUJFWSA-N 0 0 286.331 2.623 20 10 CFCDRN Cc1cc(C(=O)OCc2ccno2)c(C)n1-c1ccccn1 ZINC000914907799 623958125 /nfs/dbraw/zinc/95/81/25/623958125.db2.gz WBYYBTVJTCSXHA-UHFFFAOYSA-N 0 0 297.314 2.834 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000827359616 623993078 /nfs/dbraw/zinc/99/30/78/623993078.db2.gz QKGMFVHIXUWSDC-SNVBAGLBSA-N 0 0 287.762 2.683 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21 ZINC000915285746 624013647 /nfs/dbraw/zinc/01/36/47/624013647.db2.gz XWIPMYSUKGSFQP-MEJMFZKBSA-N 0 0 281.359 2.974 20 10 CFCDRN Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506023 624019295 /nfs/dbraw/zinc/01/92/95/624019295.db2.gz BEYLOUFWOCATGS-UWVGGRQHSA-N 0 0 282.181 2.997 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CCC(O)CC1 ZINC000827515559 624022192 /nfs/dbraw/zinc/02/21/92/624022192.db2.gz MQHJWSDXFZUEQF-UHFFFAOYSA-N 0 0 287.762 2.825 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/nfs/dbraw/zinc/89/44/74/624894474.db2.gz ZWDKTLYPFMXCCZ-UHFFFAOYSA-N 0 0 255.289 2.804 20 10 CFCDRN O=C(NCc1c(O)cccc1F)OC1CCCC1 ZINC000921452101 624894555 /nfs/dbraw/zinc/89/45/55/624894555.db2.gz DELJWHIHQCBOOM-UHFFFAOYSA-N 0 0 253.273 2.700 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C3CC3)o2)cc1OC ZINC000064517158 624945182 /nfs/dbraw/zinc/94/51/82/624945182.db2.gz OWIQEWGTXANCEI-UHFFFAOYSA-N 0 0 289.335 2.601 20 10 CFCDRN CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180140488 625000300 /nfs/dbraw/zinc/00/03/00/625000300.db2.gz WUBXRNSEICPFTR-CQSZACIVSA-N 0 0 267.344 2.778 20 10 CFCDRN CCC(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000831459051 625028793 /nfs/dbraw/zinc/02/87/93/625028793.db2.gz DEPMVHOODSEFLM-UHFFFAOYSA-N 0 0 298.386 2.732 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2ccccc2C1 ZINC000180580861 625029305 /nfs/dbraw/zinc/02/93/05/625029305.db2.gz YAVHAQDLYKQMHT-SOFGYWHQSA-N 0 0 295.338 2.696 20 10 CFCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1c(C)noc1C ZINC000831461787 625030127 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/nfs/dbraw/zinc/13/10/26/625131026.db2.gz NSQXKNCANRGFJX-LLVKDONJSA-N 0 0 265.353 2.520 20 10 CFCDRN COCc1noc([C@H](C)Sc2nccs2)n1 ZINC000182005609 625248597 /nfs/dbraw/zinc/24/85/97/625248597.db2.gz ZKURJOKGZMZRIG-LURJTMIESA-N 0 0 257.340 2.526 20 10 CFCDRN CC(C)OC1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000834577344 625721977 /nfs/dbraw/zinc/72/19/77/625721977.db2.gz FIQYRBOEEJGLAQ-UHFFFAOYSA-N 0 0 269.366 2.531 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834830675 625891807 /nfs/dbraw/zinc/89/18/07/625891807.db2.gz GFDUVOHLUAQGAX-QPUJVOFHSA-N 0 0 279.290 2.663 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000834875481 625906489 /nfs/dbraw/zinc/90/64/89/625906489.db2.gz PULXBMBHWJPSMV-PRHODGIISA-N 0 0 271.307 2.889 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)C(F)F ZINC000834876137 625906777 /nfs/dbraw/zinc/90/67/77/625906777.db2.gz ZIYMTPPAQUZXJS-IAOBUDJDSA-N 0 0 295.276 2.726 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccco1 ZINC000269163831 625906888 /nfs/dbraw/zinc/90/68/88/625906888.db2.gz PHJTUSWWWZGCMF-UHFFFAOYSA-N 0 0 273.332 2.967 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000834895722 625912874 /nfs/dbraw/zinc/91/28/74/625912874.db2.gz CWPXDOJSKGSBOJ-RULNRJAQSA-N 0 0 285.334 2.872 20 10 CFCDRN CCc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000834899157 625914103 /nfs/dbraw/zinc/91/41/03/625914103.db2.gz IRPYEKJFJKJPAD-SECBINFHSA-N 0 0 264.300 2.933 20 10 CFCDRN CCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])COC1 ZINC000834900686 625915359 /nfs/dbraw/zinc/91/53/59/625915359.db2.gz RTCGWXBAEMQHSE-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN Cc1ccc2c(c1)CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC000851641223 634469198 /nfs/dbraw/zinc/46/91/98/634469198.db2.gz IENIAKMPVOCJFT-UHFFFAOYSA-N 0 0 280.371 2.705 20 10 CFCDRN O=C(Cc1ccoc1)NCCCSc1nccs1 ZINC000186213511 626015457 /nfs/dbraw/zinc/01/54/57/626015457.db2.gz LBLYLSZIXAAXCS-UHFFFAOYSA-N 0 0 282.390 2.577 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000851663029 634474286 /nfs/dbraw/zinc/47/42/86/634474286.db2.gz RJMJYAPPXSLUKE-CHWSQXEVSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000851709485 634481192 /nfs/dbraw/zinc/48/11/92/634481192.db2.gz ZQRZRDJDQXMTOP-WWGRRREGSA-N 0 0 290.407 2.826 20 10 CFCDRN Fc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000921855398 626167971 /nfs/dbraw/zinc/16/79/71/626167971.db2.gz SSNNDGHXDCIXCU-UHFFFAOYSA-N 0 0 272.323 2.836 20 10 CFCDRN CC1(C)CC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000922480642 626293332 /nfs/dbraw/zinc/29/33/32/626293332.db2.gz YGVNGTOLLHJBEN-GFCCVEGCSA-N 0 0 266.316 2.519 20 10 CFCDRN CCOc1cccc(CN[C@@H](c2ncccn2)C2CC2)c1O ZINC000922581911 626317386 /nfs/dbraw/zinc/31/73/86/626317386.db2.gz XRNWDNMTHHITIQ-OAHLLOKOSA-N 0 0 299.374 2.822 20 10 CFCDRN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)sn1 ZINC000851720495 634488358 /nfs/dbraw/zinc/48/83/58/634488358.db2.gz LMKBKSSUZVRDPL-UHFFFAOYSA-N 0 0 291.420 2.850 20 10 CFCDRN CN(C)c1ccc(/C=C/CNc2nnc(C3CC3)n2C)cc1 ZINC000922662446 626335189 /nfs/dbraw/zinc/33/51/89/626335189.db2.gz KZXAVWMSNHYFNR-SNAWJCMRSA-N 0 0 297.406 2.884 20 10 CFCDRN Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccccn1 ZINC000073744009 626355017 /nfs/dbraw/zinc/35/50/17/626355017.db2.gz SLBFOFAEJPBQNG-UHFFFAOYSA-N 0 0 271.364 2.875 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2COC(C)(C)O2)cc1OC ZINC000851734360 634499676 /nfs/dbraw/zinc/49/96/76/634499676.db2.gz FYUKXKNEHOTOFU-CYBMUJFWSA-N 0 0 295.379 2.682 20 10 CFCDRN CCc1ccc(CNC(=O)c2cccc(O)c2O)s1 ZINC000186937786 626405588 /nfs/dbraw/zinc/40/55/88/626405588.db2.gz IVCYMSIEHGHATD-UHFFFAOYSA-N 0 0 277.345 2.652 20 10 CFCDRN CC(C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000163266266 626405769 /nfs/dbraw/zinc/40/57/69/626405769.db2.gz IPUUVKMEPXDVOP-ZDUSSCGKSA-N 0 0 277.412 2.986 20 10 CFCDRN C[C@@H](Cc1ccccc1F)NC(=O)c1cccc(O)c1O ZINC000186999689 626410496 /nfs/dbraw/zinc/41/04/96/626410496.db2.gz AHEUWHFUBRRMEJ-JTQLQIEISA-N 0 0 289.306 2.598 20 10 CFCDRN Cc1ccc(NCC[NH2+]Cc2cc(F)cc(F)c2[O-])nc1 ZINC000922924330 626425351 /nfs/dbraw/zinc/42/53/51/626425351.db2.gz JHUCVRMZWTYKNU-UHFFFAOYSA-N 0 0 293.317 2.576 20 10 CFCDRN CC[C@@H](C)CCNC(=O)NCc1c(O)cccc1F ZINC000923235702 626459060 /nfs/dbraw/zinc/45/90/60/626459060.db2.gz VTMSLZSCPHCNGF-SNVBAGLBSA-N 0 0 268.332 2.767 20 10 CFCDRN Cc1cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1N(C)C ZINC000923250741 626459713 /nfs/dbraw/zinc/45/97/13/626459713.db2.gz TWXSXLRCNSSQLV-SWLSCSKDSA-N 0 0 290.407 2.604 20 10 CFCDRN Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1N(C)C ZINC000923249181 626459836 /nfs/dbraw/zinc/45/98/36/626459836.db2.gz MIUPGQSXUUUVRG-WBMJQRKESA-N 0 0 290.407 2.746 20 10 CFCDRN Cc1ccc(C(=O)NC2(C3CCC3)CCC2)c(O)c1O ZINC000838177447 626488871 /nfs/dbraw/zinc/48/88/71/626488871.db2.gz CUJMEVSKZPWAEG-UHFFFAOYSA-N 0 0 275.348 2.859 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000838478833 626499064 /nfs/dbraw/zinc/49/90/64/626499064.db2.gz MLZDKBQUUVQOHE-JKSUJKDBSA-N 0 0 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CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774943569 627980691 /nfs/dbraw/zinc/98/06/91/627980691.db2.gz VLDOSKNZJPJXMX-VIFPVBQESA-N 0 0 268.313 2.587 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000775160133 627996734 /nfs/dbraw/zinc/99/67/34/627996734.db2.gz VSFBXVCBALBAHD-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775202068 627999630 /nfs/dbraw/zinc/99/96/30/627999630.db2.gz ZBOHCPHDTUQJJC-NSHDSACASA-N 0 0 275.751 2.681 20 10 CFCDRN CC[C@H](NCc1ccc2c(c1)CCO2)c1nccn1C ZINC000775380338 628017443 /nfs/dbraw/zinc/01/74/43/628017443.db2.gz IXUHACHIIJBONF-AWEZNQCLSA-N 0 0 271.364 2.596 20 10 CFCDRN C[C@@H](NC(=O)C1SCCS1)c1ccc(N(C)C)cc1 ZINC000775402109 628021953 /nfs/dbraw/zinc/02/19/53/628021953.db2.gz BGDNUNKUTWVMED-SNVBAGLBSA-N 0 0 296.461 2.736 20 10 CFCDRN C[C@@H](NC(=O)c1cncs1)c1ccc(N(C)C)cc1 ZINC000775409931 628022659 /nfs/dbraw/zinc/02/26/59/628022659.db2.gz INOXZDQXDVHXDZ-SNVBAGLBSA-N 0 0 275.377 2.700 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000775680820 628054977 /nfs/dbraw/zinc/05/49/77/628054977.db2.gz JPBXDLZGYKHIIV-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(O)CCCC1 ZINC000775706676 628057633 /nfs/dbraw/zinc/05/76/33/628057633.db2.gz CAANKBBQDAZXKI-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN COc1ccc(O)c(CNc2cccc(-c3nc[nH]n3)c2)c1 ZINC000775748609 628062171 /nfs/dbraw/zinc/06/21/71/628062171.db2.gz HNPWFYPWDYJNQJ-UHFFFAOYSA-N 0 0 296.330 2.798 20 10 CFCDRN COC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC000776127337 628106568 /nfs/dbraw/zinc/10/65/68/628106568.db2.gz NADVKHXGLITLMB-UHFFFAOYSA-N 0 0 292.379 2.541 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776231043 628120394 /nfs/dbraw/zinc/12/03/94/628120394.db2.gz FWSBPIOBACLFJN-UHFFFAOYSA-N 0 0 250.729 2.674 20 10 CFCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776248249 628122118 /nfs/dbraw/zinc/12/21/18/628122118.db2.gz LHFFWTDOQGVISM-QWRGUYRKSA-N 0 0 269.772 2.950 20 10 CFCDRN CC(C)(C)c1cnc(COC(=O)c2cccc(O)c2O)o1 ZINC000776280533 628125805 /nfs/dbraw/zinc/12/58/05/628125805.db2.gz TVWMREAOGIEIBC-UHFFFAOYSA-N 0 0 291.303 2.740 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000776474251 628152544 /nfs/dbraw/zinc/15/25/44/628152544.db2.gz NSBKYZBPLSQRTN-KBPBESRZSA-N 0 0 291.391 2.946 20 10 CFCDRN CCOc1ccc(O)c(CN2CCC(F)(F)C2)c1 ZINC000776695940 628168355 /nfs/dbraw/zinc/16/83/55/628168355.db2.gz YVHVAGBJSROGGX-UHFFFAOYSA-N 0 0 257.280 2.632 20 10 CFCDRN CC[C@H](NCc1cocn1)c1ccc(N(C)C)cc1 ZINC000777036724 628193433 /nfs/dbraw/zinc/19/34/33/628193433.db2.gz NNRRGUFGDDPGCQ-HNNXBMFYSA-N 0 0 259.353 2.982 20 10 CFCDRN CC[C@@H](NCc1cccc(C)c1O)C(=O)OC(C)(C)C ZINC000777500657 628231236 /nfs/dbraw/zinc/23/12/36/628231236.db2.gz OMTNCKNKHCMSOU-CYBMUJFWSA-N 0 0 279.380 2.911 20 10 CFCDRN CCc1cc(NCc2ccc(N3CCOCC3)cc2)no1 ZINC000777520986 628231837 /nfs/dbraw/zinc/23/18/37/628231837.db2.gz YGZUZOZGRILLFR-UHFFFAOYSA-N 0 0 287.363 2.686 20 10 CFCDRN CC(C)C[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CCO1 ZINC000777534045 628233505 /nfs/dbraw/zinc/23/35/05/628233505.db2.gz NTQXBNCKIGJOQJ-ZYHUDNBSSA-N 0 0 283.393 2.777 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](F)C2)cc1OC ZINC000778000629 628271861 /nfs/dbraw/zinc/27/18/61/628271861.db2.gz QZOXCNIYOQRFJT-VHSXEESVSA-N 0 0 298.314 2.796 20 10 CFCDRN CN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1O ZINC000778519593 628312355 /nfs/dbraw/zinc/31/23/55/628312355.db2.gz JCTNPGKLVYJZBV-AWEZNQCLSA-N 0 0 272.279 2.728 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1C ZINC000778921949 628339643 /nfs/dbraw/zinc/33/96/43/628339643.db2.gz FOAIYCOJXJYPNV-UHFFFAOYSA-N 0 0 285.343 2.574 20 10 CFCDRN CCC(CC)(CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000778927271 628340197 /nfs/dbraw/zinc/34/01/97/628340197.db2.gz NYEDAJCBXXGLIZ-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CCCC1 ZINC000778923763 628340244 /nfs/dbraw/zinc/34/02/44/628340244.db2.gz SFQONYROODKORO-SNVBAGLBSA-N 0 0 263.337 2.540 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289.375 2.556 20 10 CFCDRN COc1cc(N(C)Cc2ccoc2)cc(OC)c1OC ZINC000780775364 628496537 /nfs/dbraw/zinc/49/65/37/628496537.db2.gz URLHKRNVOMXNBD-UHFFFAOYSA-N 0 0 277.320 2.942 20 10 CFCDRN Oc1ccccc1CN1CCN2CCOc3cccc1c32 ZINC000780782245 628496896 /nfs/dbraw/zinc/49/68/96/628496896.db2.gz NXMUEUPIPFTVDJ-UHFFFAOYSA-N 0 0 282.343 2.611 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(F)c(F)c2)c(O)c1O ZINC000780877858 628501973 /nfs/dbraw/zinc/50/19/73/628501973.db2.gz IILONXSRJJSBER-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H]2c2ccccc2)c(O)c1O ZINC000780887213 628502515 /nfs/dbraw/zinc/50/25/15/628502515.db2.gz OEXIDKFXYZMEPC-AWEZNQCLSA-N 0 0 283.327 2.993 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccsc2)c(O)c1O ZINC000780905719 628503681 /nfs/dbraw/zinc/50/36/81/628503681.db2.gz YLMIDLPEIMFUNP-JTQLQIEISA-N 0 0 291.372 2.829 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c(O)c1O ZINC000780936367 628505820 /nfs/dbraw/zinc/50/58/20/628505820.db2.gz BEGSOUJODUROSS-XHVZSJERSA-N 0 0 277.364 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292.331 2.506 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000784892604 628849764 /nfs/dbraw/zinc/84/97/64/628849764.db2.gz FMIIDGMSCHKQFF-IUODEOHRSA-N 0 0 290.407 2.887 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000784892607 628849858 /nfs/dbraw/zinc/84/98/58/628849858.db2.gz FMIIDGMSCHKQFF-SWLSCSKDSA-N 0 0 290.407 2.887 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2c(C)coc2C)c1 ZINC000786409271 628954908 /nfs/dbraw/zinc/95/49/08/628954908.db2.gz LFNLUYVVOZRBQK-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN CN(Cc1ccccc1O)c1ccnc(N2CCCCC2)n1 ZINC000786792624 628979635 /nfs/dbraw/zinc/97/96/35/628979635.db2.gz GPQLVWZIANJQBH-UHFFFAOYSA-N 0 0 298.390 2.809 20 10 CFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C(F)F ZINC000787245984 629001455 /nfs/dbraw/zinc/00/14/55/629001455.db2.gz CMMNQLPNONNBEW-UHFFFAOYSA-N 0 0 268.307 2.558 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nnc(C(F)F)o1 ZINC000787240860 629001500 /nfs/dbraw/zinc/00/15/00/629001500.db2.gz ZSWRXETWOFXSFO-UHFFFAOYSA-N 0 0 275.642 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C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000792791864 629452874 /nfs/dbraw/zinc/45/28/74/629452874.db2.gz IZGRDHOBPIZZGM-DZGCQCFKSA-N 0 0 289.423 2.988 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@H]2CC=CCC2)c(O)c1 ZINC000792931127 629467440 /nfs/dbraw/zinc/46/74/40/629467440.db2.gz GPVYUAXVQSWVPQ-LBPRGKRZSA-N 0 0 290.363 2.556 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@H](C)C(C)(C)C)c(O)c1 ZINC000792944798 629469615 /nfs/dbraw/zinc/46/96/15/629469615.db2.gz FNLULYSSZDPBPF-NSHDSACASA-N 0 0 294.395 2.882 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792998933 629474310 /nfs/dbraw/zinc/47/43/10/629474310.db2.gz VGWPXRSOSKGOSH-RISCZKNCSA-N 0 0 292.379 2.779 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792998934 629474362 /nfs/dbraw/zinc/47/43/62/629474362.db2.gz VGWPXRSOSKGOSH-SMDDNHRTSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(CNC(=O)NCC(C)(C)C(C)C)c(O)c1 ZINC000793065226 629482304 /nfs/dbraw/zinc/48/23/04/629482304.db2.gz ICCKFHCMMRBGKU-UHFFFAOYSA-N 0 0 294.395 2.882 20 10 CFCDRN Cc1ccc(CN(CCO)Cc2c(O)cccc2Cl)o1 ZINC000793365843 629531759 /nfs/dbraw/zinc/53/17/59/629531759.db2.gz PQUIPQZKRLTWJL-UHFFFAOYSA-N 0 0 295.766 2.942 20 10 CFCDRN Cc1cc(CN2CCO[C@H]3C[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000793620737 629580240 /nfs/dbraw/zinc/58/02/40/629580240.db2.gz YABAVGRGSKKFEL-CABCVRRESA-N 0 0 275.392 2.971 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC2(C)C)c1 ZINC000806022520 629581659 /nfs/dbraw/zinc/58/16/59/629581659.db2.gz XQMQSFLEFRLZIQ-YGRLFVJLSA-N 0 0 292.379 2.950 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793855343 629601099 /nfs/dbraw/zinc/60/10/99/629601099.db2.gz HDYYCRJXXPPUFO-WOSRLPQWSA-N 0 0 292.423 2.991 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC(C2CCCC2)C1 ZINC000794194249 629620750 /nfs/dbraw/zinc/62/07/50/629620750.db2.gz AOZLFSFUGXPWOT-VURMDHGXSA-N 0 0 287.359 2.760 20 10 CFCDRN COc1ccc(CNC(=O)C2(C)CCCCC2)c(O)c1 ZINC000794373688 629641441 /nfs/dbraw/zinc/64/14/41/629641441.db2.gz LGHIIQMKSHLGNK-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1ccc(CNC(=O)/C=C/c2ccccc2)c(O)c1 ZINC000794381362 629641969 /nfs/dbraw/zinc/64/19/69/629641969.db2.gz LGIRRZLULKNFRW-JXMROGBWSA-N 0 0 283.327 2.730 20 10 CFCDRN COc1ccc(CNC(=O)CCc2cccs2)c(O)c1 ZINC000794381185 629642103 /nfs/dbraw/zinc/64/21/03/629642103.db2.gz MANLZDJTQWOHAE-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN COc1ccc(CNC(=O)CCCC(F)(F)F)c(O)c1 ZINC000794388534 629642706 /nfs/dbraw/zinc/64/27/06/629642706.db2.gz XPZGITWEWZLNQD-UHFFFAOYSA-N 0 0 291.269 2.750 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCC2(C)C)c(O)c1 ZINC000794390155 629642877 /nfs/dbraw/zinc/64/28/77/629642877.db2.gz YZXGRFKKXZHOSO-CYBMUJFWSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)c(O)c1 ZINC000794387450 629642882 /nfs/dbraw/zinc/64/28/82/629642882.db2.gz IZPPZOXODLHJHA-CZUORRHYSA-N 0 0 277.364 2.699 20 10 CFCDRN CCC(C)(C)NC(=S)NCc1ccc(OC)cc1O ZINC000795030638 629726663 /nfs/dbraw/zinc/72/66/63/629726663.db2.gz CUSHCXVXUPWAOC-UHFFFAOYSA-N 0 0 282.409 2.554 20 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/nfs/dbraw/zinc/99/09/16/629990916.db2.gz MDCOWOAJZJOIMJ-BREBYQMCSA-N 0 0 255.333 2.731 20 10 CFCDRN CC[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(F)cc1[O-] ZINC000796935259 629991642 /nfs/dbraw/zinc/99/16/42/629991642.db2.gz BHPSFPRPTXKBGX-CYBMUJFWSA-N 0 0 283.343 2.725 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc(Cl)c1[O-] ZINC000840826508 630095160 /nfs/dbraw/zinc/09/51/60/630095160.db2.gz ZFLMCSLPCRFOEY-MFKMUULPSA-N 0 0 296.798 2.613 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)no1 ZINC000797724373 630098200 /nfs/dbraw/zinc/09/82/00/630098200.db2.gz KYQAAKIUNMNUMD-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000797744830 630098736 /nfs/dbraw/zinc/09/87/36/630098736.db2.gz SKWQFPVKOPZPTN-GOPGUHFVSA-N 0 0 297.354 2.764 20 10 CFCDRN O=C(C[C@H]1CCC(F)(F)C1)NCc1ccc(O)c(O)c1 ZINC000797942071 630128060 /nfs/dbraw/zinc/12/80/60/630128060.db2.gz LEQFRCHYQAGBBN-SECBINFHSA-N 0 0 285.290 2.540 20 10 CFCDRN C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)CC(F)(F)F ZINC000839850456 630164981 /nfs/dbraw/zinc/16/49/81/630164981.db2.gz SJUSTRYYGFIUBF-ZCFIWIBFSA-N 0 0 295.232 2.555 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCC[S@](C)=O ZINC000798235706 630170560 /nfs/dbraw/zinc/17/05/60/630170560.db2.gz GSCOFJIZLOBSAQ-SFHVURJKSA-N 0 0 280.418 2.558 20 10 CFCDRN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000798503616 630197010 /nfs/dbraw/zinc/19/70/10/630197010.db2.gz NPMBCAZTLVLAHS-GHMZBOCLSA-N 0 0 264.325 2.826 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000799061308 630272296 /nfs/dbraw/zinc/27/22/96/630272296.db2.gz LBOKULCNNFUQLU-CFLAWFISSA-N 0 0 275.348 2.663 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)cn2)cc1F ZINC000799128676 630279465 /nfs/dbraw/zinc/27/94/65/630279465.db2.gz RTRVWFMURYKGCF-UHFFFAOYSA-N 0 0 281.718 2.914 20 10 CFCDRN CN1C(=O)/C(=C/c2cn[nH]c2)c2cc(Cl)ccc21 ZINC000799501697 630316254 /nfs/dbraw/zinc/31/62/54/630316254.db2.gz MAXDNBSUQYNBJI-NYYWCZLTSA-N 0 0 259.696 2.580 20 10 CFCDRN O=S(=O)(/C=C/c1ccccc1F)Nc1ccc(O)cc1 ZINC000799913594 630353694 /nfs/dbraw/zinc/35/36/94/630353694.db2.gz UVBNZSUVBYBQOD-MDZDMXLPSA-N 0 0 293.319 2.944 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCC(F)(F)C2)c(O)c1 ZINC000800559599 630395461 /nfs/dbraw/zinc/39/54/61/630395461.db2.gz FWVOBUNQMNBKRB-SNVBAGLBSA-N 0 0 299.317 2.843 20 10 CFCDRN Cn1cnc(/C=C2\c3cc(Cl)ccc3N(C)C2=O)c1 ZINC000800795390 630405189 /nfs/dbraw/zinc/40/51/89/630405189.db2.gz INNSJWFTSOECLI-WUXMJOGZSA-N 0 0 273.723 2.591 20 10 CFCDRN Cn1cnc(/C=C2/c3cc(Cl)ccc3N(C)C2=O)c1 ZINC000800795389 630405205 /nfs/dbraw/zinc/40/52/05/630405205.db2.gz INNSJWFTSOECLI-SDQBBNPISA-N 0 0 273.723 2.591 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnco1 ZINC000801549003 630456995 /nfs/dbraw/zinc/45/69/95/630456995.db2.gz AJQKHMUBQWQORE-UHFFFAOYSA-N 0 0 274.320 2.823 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H]1C ZINC000801551039 630457516 /nfs/dbraw/zinc/45/75/16/630457516.db2.gz HLAGPJZBCGVFNI-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCCN(Cc1ncnn1CC)Cc1ccccc1O ZINC000801594940 630461139 /nfs/dbraw/zinc/46/11/39/630461139.db2.gz QSHOWOJKNSKSAJ-UHFFFAOYSA-N 0 0 288.395 2.806 20 10 CFCDRN Cc1cc(C(=O)OCC(F)F)c(C)n1-c1ccccn1 ZINC000103656293 630468715 /nfs/dbraw/zinc/46/87/15/630468715.db2.gz XGKNNDBWOILPBK-UHFFFAOYSA-N 0 0 280.274 2.911 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000802776820 630545494 /nfs/dbraw/zinc/54/54/94/630545494.db2.gz AOJQSUAAHLCXMW-KOLCDFICSA-N 0 0 287.281 2.987 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C)(C)C1 ZINC000803090182 630583558 /nfs/dbraw/zinc/58/35/58/630583558.db2.gz WQSZAMWNNPTTAT-JTQLQIEISA-N 0 0 277.364 2.581 20 10 CFCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cs1 ZINC000803757188 630640184 /nfs/dbraw/zinc/64/01/84/630640184.db2.gz IASMTBCOTGZNEU-UHFFFAOYSA-N 0 0 292.312 2.507 20 10 CFCDRN CC[C@H](C)CCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000803876701 630649994 /nfs/dbraw/zinc/64/99/94/630649994.db2.gz DQGWUIMEKJFJLE-JTQLQIEISA-N 0 0 280.320 2.650 20 10 CFCDRN Cc1nc2cc(NC(=O)Cc3ccc(N)cc3)ccc2o1 ZINC000040315731 649983858 /nfs/dbraw/zinc/98/38/58/649983858.db2.gz HQESXBOGRZJWJM-UHFFFAOYSA-N 0 0 281.315 2.900 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(CCC2)CC1 ZINC000804623418 630767133 /nfs/dbraw/zinc/76/71/33/630767133.db2.gz DACMFFRTCMBJOE-HYXAFXHYSA-N 0 0 287.359 2.904 20 10 CFCDRN CC[C@@H]([NH2+]CC[S@](=O)CC)c1cccc(Cl)c1[O-] ZINC000806138705 630772713 /nfs/dbraw/zinc/77/27/13/630772713.db2.gz AHPJVNPFMVSMEP-KZULUSFZSA-N 0 0 289.828 2.855 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cnc(C(C)(C)C)nc1 ZINC000806499926 630806025 /nfs/dbraw/zinc/80/60/25/630806025.db2.gz OCXCOQKRPUIDPD-UHFFFAOYSA-N 0 0 299.374 2.752 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@H]32)cc1F ZINC000806634933 630825652 /nfs/dbraw/zinc/82/56/52/630825652.db2.gz OVKHYINRLNOZMD-DOMZBBRYSA-N 0 0 291.370 2.586 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(CCO)nc2)cc1C ZINC000806670837 630828861 /nfs/dbraw/zinc/82/88/61/630828861.db2.gz OOLNSYLROWINRJ-UHFFFAOYSA-N 0 0 272.348 2.551 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)NCCCSc1nccs1 ZINC000806958097 630850252 /nfs/dbraw/zinc/85/02/52/630850252.db2.gz CTUFYXCRWKWUGT-VHSXEESVSA-N 0 0 285.438 2.723 20 10 CFCDRN O=C(NC1(Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000807269024 630873435 /nfs/dbraw/zinc/87/34/35/630873435.db2.gz XVYVJSMMNWXSLR-UHFFFAOYSA-N 0 0 273.357 2.959 20 10 CFCDRN COc1cccc(CNC(=O)C2=CC[C@H](C)CC2)c1O ZINC000836776929 630880696 /nfs/dbraw/zinc/88/06/96/630880696.db2.gz DAAOFXHPORAEOE-NSHDSACASA-N 0 0 275.348 2.763 20 10 CFCDRN Cc1n[nH]cc1C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000807539241 630892340 /nfs/dbraw/zinc/89/23/40/630892340.db2.gz ASBVTDYPGMMPCY-UHFFFAOYSA-N 0 0 291.376 2.505 20 10 CFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](F)C2)c1 ZINC000840105032 630900253 /nfs/dbraw/zinc/90/02/53/630900253.db2.gz NGWHKENYKSIDIV-LBPRGKRZSA-N 0 0 267.344 2.939 20 10 CFCDRN Cc1noc([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)n1 ZINC000807756229 630908590 /nfs/dbraw/zinc/90/85/90/630908590.db2.gz OADDJOYXMHNQEQ-JTQLQIEISA-N 0 0 293.348 2.513 20 10 CFCDRN 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CC[C@@H](C)[C@H](C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808485678 631001725 /nfs/dbraw/zinc/00/17/25/631001725.db2.gz UPNOANWUGZPDDM-ABAIWWIYSA-N 0 0 276.332 2.518 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000808499056 631003131 /nfs/dbraw/zinc/00/31/31/631003131.db2.gz IKOQWNOSWBQHBT-UHFFFAOYSA-N 0 0 298.294 2.794 20 10 CFCDRN CC(=O)C(=O)COC(=O)CC1CCC(C(C)(C)C)CC1 ZINC000808527187 631008445 /nfs/dbraw/zinc/00/84/45/631008445.db2.gz AIWWOTCBRBNJOK-UHFFFAOYSA-N 0 0 282.380 2.930 20 10 CFCDRN CC(=O)C(=O)COC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000808532147 631009379 /nfs/dbraw/zinc/00/93/79/631009379.db2.gz LQNJLYXMHAZRDQ-SNAWJCMRSA-N 0 0 288.343 2.915 20 10 CFCDRN CC[C@@H](C(=O)OCC(=O)C(C)=O)C1CCC(C)CC1 ZINC000808536449 631009843 /nfs/dbraw/zinc/00/98/43/631009843.db2.gz JVQLPMVESGHHIL-KGPNIALWSA-N 0 0 268.353 2.540 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1sc2cc(F)ccc2c1C ZINC000808550484 631012723 /nfs/dbraw/zinc/01/27/23/631012723.db2.gz HPHWHQKNBDRFCC-UHFFFAOYSA-N 0 0 294.303 2.664 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000837378872 631017358 /nfs/dbraw/zinc/01/73/58/631017358.db2.gz SVGBHYUWEDUDDE-LLVKDONJSA-N 0 0 278.371 2.944 20 10 CFCDRN CCC(C)(C)OCC(=O)N(C)Cc1ccccc1O ZINC000837467623 631038818 /nfs/dbraw/zinc/03/88/18/631038818.db2.gz JDJLFLRLOMUWNO-UHFFFAOYSA-N 0 0 265.353 2.556 20 10 CFCDRN Cc1ccc(C(=O)OC[C@@H]2CCC(F)(F)C2)c(O)c1O ZINC000837486324 631045955 /nfs/dbraw/zinc/04/59/55/631045955.db2.gz YKGUTDIETBCVCM-SECBINFHSA-N 0 0 286.274 2.998 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C1CCC1 ZINC000837521008 631053865 /nfs/dbraw/zinc/05/38/65/631053865.db2.gz RMQBAUSDYBOVBB-QWRGUYRKSA-N 0 0 277.364 2.581 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1CC(F)(F)C1 ZINC000837587248 631077804 /nfs/dbraw/zinc/07/78/04/631077804.db2.gz JUXYSMPAVYFTOD-RQOWECAXSA-N 0 0 284.258 2.700 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000840835539 631235464 /nfs/dbraw/zinc/23/54/64/631235464.db2.gz MHJNQCZRMJYVCM-WDEREUQCSA-N 0 0 255.333 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280.387 2.703 20 10 CFCDRN CCOC1CC([N@H+](C)Cc2cccc(F)c2[O-])C1 ZINC000809773371 631286512 /nfs/dbraw/zinc/28/65/12/631286512.db2.gz BYNJMNVAVAPMLA-UHFFFAOYSA-N 0 0 253.317 2.531 20 10 CFCDRN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1csnn1 ZINC000840970701 631289856 /nfs/dbraw/zinc/28/98/56/631289856.db2.gz VOXQSJNFXFHKKB-ZYOFXKKJSA-N 0 0 288.420 2.968 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)c2csnn2)cc1C ZINC000840970196 631290044 /nfs/dbraw/zinc/29/00/44/631290044.db2.gz PKWWCQYXYPPRHH-JTQLQIEISA-N 0 0 263.366 2.711 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000840995417 631296695 /nfs/dbraw/zinc/29/66/95/631296695.db2.gz JHUSPQCPEUARJD-OAHLLOKOSA-N 0 0 294.370 2.721 20 10 CFCDRN C[C@@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000840999544 631299007 /nfs/dbraw/zinc/29/90/07/631299007.db2.gz YTKWIRIDTDQRHZ-AWEZNQCLSA-N 0 0 290.407 2.829 20 10 CFCDRN CCCCN(CCCC)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841009872 631303816 /nfs/dbraw/zinc/30/38/16/631303816.db2.gz IYEMEVBUFHQCKH-UHFFFAOYSA-N 0 0 291.395 2.636 20 10 CFCDRN CCCN(CCC)C(=O)COc1ccc(N(C)C)cc1 ZINC000810001059 631311466 /nfs/dbraw/zinc/31/14/66/631311466.db2.gz VZQYEFPDBTULLN-UHFFFAOYSA-N 0 0 278.396 2.780 20 10 CFCDRN NC[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CCCCC1 ZINC000841039653 631318640 /nfs/dbraw/zinc/31/86/40/631318640.db2.gz YDPCVXVQXARRPH-AWEZNQCLSA-N 0 0 266.360 2.529 20 10 CFCDRN CC1(C)[NH2+]CC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841086648 631334366 /nfs/dbraw/zinc/33/43/66/631334366.db2.gz PBAAXPVOVSUDHS-NSHDSACASA-N 0 0 289.206 2.929 20 10 CFCDRN NC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000841087809 631335038 /nfs/dbraw/zinc/33/50/38/631335038.db2.gz QAMSECKEAZJQKF-ZDUSSCGKSA-N 0 0 286.778 2.792 20 10 CFCDRN Cc1cnc(CCN(C)C(=O)Nc2ccc(N)cc2)s1 ZINC000841297869 631376995 /nfs/dbraw/zinc/37/69/95/631376995.db2.gz JIWMKQOMJFLMRA-UHFFFAOYSA-N 0 0 290.392 2.740 20 10 CFCDRN CC1(C)CCC[C@](O)(CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841296595 631377042 /nfs/dbraw/zinc/37/70/42/631377042.db2.gz 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/nfs/dbraw/zinc/37/94/14/631379414.db2.gz BCODABYOUQPVGU-UHFFFAOYSA-N 0 0 290.392 2.652 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CC(C)C)OC)c1 ZINC000841405661 631400772 /nfs/dbraw/zinc/40/07/72/631400772.db2.gz NXMZLJZYYNOCBL-IAQYHMDHSA-N 0 0 295.379 2.639 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c(O)c1O ZINC000841461037 631409459 /nfs/dbraw/zinc/40/94/59/631409459.db2.gz NEKIQQQKNWRPLY-HBNTYKKESA-N 0 0 263.337 2.523 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c(O)c1O ZINC000841461035 631410006 /nfs/dbraw/zinc/41/00/06/631410006.db2.gz NEKIQQQKNWRPLY-DCAQKATOSA-N 0 0 263.337 2.523 20 10 CFCDRN Cc1nocc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000841497547 631417216 /nfs/dbraw/zinc/41/72/16/631417216.db2.gz IYNKPXPPLLXEAL-YHYXMXQVSA-N 0 0 280.374 2.737 20 10 CFCDRN CCn1cnnc1CN[C@@H](C)c1ccc(Cl)cc1O ZINC000841743590 631463109 /nfs/dbraw/zinc/46/31/09/631463109.db2.gz BEDKMRSEMVXWBK-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN COCCOCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744572 631463426 /nfs/dbraw/zinc/46/34/26/631463426.db2.gz PZVYDDJYWWLAGH-LLVKDONJSA-N 0 0 287.787 2.749 20 10 CFCDRN C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841744788 631463541 /nfs/dbraw/zinc/46/35/41/631463541.db2.gz LQPWLSXWLZVZHG-JTQLQIEISA-N 0 0 279.771 2.672 20 10 CFCDRN C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841752411 631465218 /nfs/dbraw/zinc/46/52/18/631465218.db2.gz APKWPJZRPIFFTA-NSHDSACASA-N 0 0 299.798 2.628 20 10 CFCDRN CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752253 631465809 /nfs/dbraw/zinc/46/58/09/631465809.db2.gz RUNJDBDJQIADCZ-LLVKDONJSA-N 0 0 298.814 2.859 20 10 CFCDRN C[C@@H](NCc1ccon1)c1ccc(Cl)cc1O ZINC000841755165 631466841 /nfs/dbraw/zinc/46/68/41/631466841.db2.gz OMYBQBZRYFVGSV-MRVPVSSYSA-N 0 0 252.701 2.884 20 10 CFCDRN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755507 631467270 /nfs/dbraw/zinc/46/72/70/631467270.db2.gz HWDQFNAVBQOWRN-ZIBATOQPSA-N 0 0 299.798 2.748 20 10 CFCDRN C[C@H](CCCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760579 631467696 /nfs/dbraw/zinc/46/76/96/631467696.db2.gz SSZBBLNWVKRACK-NXEZZACHSA-N 0 0 257.761 2.857 20 10 CFCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000841799634 631472960 /nfs/dbraw/zinc/47/29/60/631472960.db2.gz VUGFVOLCSXEAAQ-CQSZACIVSA-N 0 0 279.380 2.983 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841814956 631474627 /nfs/dbraw/zinc/47/46/27/631474627.db2.gz AQCMLMVMJWDNAE-IOASZLSFSA-N 0 0 289.423 2.935 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841814963 631474648 /nfs/dbraw/zinc/47/46/48/631474648.db2.gz AQCMLMVMJWDNAE-XJKCOSOUSA-N 0 0 289.423 2.935 20 10 CFCDRN CCCN(CCC)c1ccc(C[NH2+]C[C@@H](F)C(=O)[O-])cc1 ZINC000841816916 631475240 /nfs/dbraw/zinc/47/52/40/631475240.db2.gz XNTSEBDNLLUWLX-OAHLLOKOSA-N 0 0 296.386 2.825 20 10 CFCDRN Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1C(=O)[O-] ZINC000841822643 631475324 /nfs/dbraw/zinc/47/53/24/631475324.db2.gz OIUSHQDGOSZKOP-UHFFFAOYSA-N 0 0 297.354 2.918 20 10 CFCDRN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841849763 631480095 /nfs/dbraw/zinc/48/00/95/631480095.db2.gz KQUGFSPIGHZTJK-VIKVFOODSA-N 0 0 289.423 2.935 20 10 CFCDRN CCn1cncc1CN1CCCc2cc(OC)ccc21 ZINC000841866736 631484859 /nfs/dbraw/zinc/48/48/59/631484859.db2.gz ILRWZTJJRDKWFL-UHFFFAOYSA-N 0 0 271.364 2.864 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000841876555 631486165 /nfs/dbraw/zinc/48/61/65/631486165.db2.gz KXTWSJOGRMRZJY-WWGRRREGSA-N 0 0 289.423 2.935 20 10 CFCDRN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000841892267 631489360 /nfs/dbraw/zinc/48/93/60/631489360.db2.gz WBRBLODMKUIOSK-WVSHTKLVSA-N 0 0 276.163 2.702 20 10 CFCDRN C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841955223 631495378 /nfs/dbraw/zinc/49/53/78/631495378.db2.gz WFWVMKMXOTYOAA-STQMWFEESA-N 0 0 275.396 2.641 20 10 CFCDRN CN(C(=O)NCCc1ccc(N)cc1)C1CC(C)(C)C1 ZINC000841955452 631495458 /nfs/dbraw/zinc/49/54/58/631495458.db2.gz CHIGOUOARIDENH-UHFFFAOYSA-N 0 0 275.396 2.641 20 10 CFCDRN CCCC(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841954515 631495893 /nfs/dbraw/zinc/49/58/93/631495893.db2.gz MZXMJPVLIAXUGX-UHFFFAOYSA-N 0 0 263.385 2.689 20 10 CFCDRN CSCC[C@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841954993 631495916 /nfs/dbraw/zinc/49/59/16/631495916.db2.gz SMRXFJYQNJGAAI-LBPRGKRZSA-N 0 0 295.452 2.594 20 10 CFCDRN CO[C@H](COC(=O)C1=CC(=O)CS1)CC(C)C ZINC000842075429 631524761 /nfs/dbraw/zinc/52/47/61/631524761.db2.gz RUHKLQGUYPXWFH-JTQLQIEISA-N 0 0 258.339 2.672 20 10 CFCDRN CC(=O)C(=O)COC(=O)C1(c2ccccc2C)CCCC1 ZINC000811269582 631544241 /nfs/dbraw/zinc/54/42/41/631544241.db2.gz XWZNAMXINCKCNS-UHFFFAOYSA-N 0 0 288.343 2.508 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCc2occc2C1 ZINC000811567791 631581700 /nfs/dbraw/zinc/58/17/00/631581700.db2.gz FZJXSZYFKJMXCX-UHFFFAOYSA-N 0 0 263.318 2.635 20 10 CFCDRN O=[N+]([O-])c1c(F)cccc1NCCc1ccc(O)c(O)c1 ZINC000811810750 631625642 /nfs/dbraw/zinc/62/56/42/631625642.db2.gz ABFGWPOTPRBOOY-UHFFFAOYSA-N 0 0 292.266 2.800 20 10 CFCDRN C[C@H](NC(=O)NOC/C=C\Cl)c1ccc(N(C)C)cc1 ZINC000811905802 631639435 /nfs/dbraw/zinc/63/94/35/631639435.db2.gz LHJSDAPEKGGBLA-NJHLSQGMSA-N 0 0 297.786 2.797 20 10 CFCDRN COC(=O)c1cnc(SCCC[C@@H]2CCOC2)s1 ZINC000842583330 631672262 /nfs/dbraw/zinc/67/22/62/631672262.db2.gz XFHUSKTZWACZCM-SECBINFHSA-N 0 0 287.406 2.839 20 10 CFCDRN Cc1cc(-c2nc(CN)no2)c(C)n1-c1ccccc1C ZINC000842650474 631693456 /nfs/dbraw/zinc/69/34/56/631693456.db2.gz BLURLSQTDMQAQS-UHFFFAOYSA-N 0 0 282.347 2.911 20 10 CFCDRN CCCc1nsc(NCc2cc(OC)ccc2O)n1 ZINC000812458774 631721816 /nfs/dbraw/zinc/72/18/16/631721816.db2.gz KRWQCQCXASYBHH-UHFFFAOYSA-N 0 0 279.365 2.817 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(c2)nnn3C)cc1 ZINC000842740374 631724118 /nfs/dbraw/zinc/72/41/18/631724118.db2.gz AAOAHHJXIQFYRA-UHFFFAOYSA-N 0 0 281.363 2.646 20 10 CFCDRN CC[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000842770647 631735491 /nfs/dbraw/zinc/73/54/91/631735491.db2.gz AWKNRAAZAVBOAA-AWEZNQCLSA-N 0 0 291.391 2.831 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)C(C)C)C2)cc1 ZINC000842881938 631771466 /nfs/dbraw/zinc/77/14/66/631771466.db2.gz TYZXNBHTURGAMU-ZDUSSCGKSA-N 0 0 277.364 2.721 20 10 CFCDRN CC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000843050635 631815590 /nfs/dbraw/zinc/81/55/90/631815590.db2.gz NBYTYLUXYFPLFM-CABZTGNLSA-N 0 0 286.778 2.744 20 10 CFCDRN Cn1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C1CC1 ZINC000843159907 631870986 /nfs/dbraw/zinc/87/09/86/631870986.db2.gz SQAYOKVNYAPJMS-UHFFFAOYSA-N 0 0 295.346 2.521 20 10 CFCDRN CS[C@H](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843160394 631871005 /nfs/dbraw/zinc/87/10/05/631871005.db2.gz XSLSNYRXWMULIF-SECBINFHSA-N 0 0 263.366 2.537 20 10 CFCDRN Nc1ccc(Cc2noc(CC[C@H]3CCCCO3)n2)cc1 ZINC000843159541 631871592 /nfs/dbraw/zinc/87/15/92/631871592.db2.gz SLELHOUYCHSDHH-CQSZACIVSA-N 0 0 287.363 2.744 20 10 CFCDRN Nc1ccc(Cc2noc(CC3CCSCC3)n2)cc1 ZINC000843160176 631871672 /nfs/dbraw/zinc/87/16/72/631871672.db2.gz WMBYOZCMDBRROC-UHFFFAOYSA-N 0 0 289.404 2.928 20 10 CFCDRN CC[C@H](C)OCc1nc(Cc2ccc(N)cc2)no1 ZINC000843162490 631872103 /nfs/dbraw/zinc/87/21/03/631872103.db2.gz YTJJTOCITUXWIN-JTQLQIEISA-N 0 0 261.325 2.558 20 10 CFCDRN Nc1ccc(Cc2noc(CC3CCCC3)n2)cc1 ZINC000843164281 631872892 /nfs/dbraw/zinc/87/28/92/631872892.db2.gz SSYUONSOBLZJMY-UHFFFAOYSA-N 0 0 257.337 2.975 20 10 CFCDRN CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O ZINC000155966876 650038875 /nfs/dbraw/zinc/03/88/75/650038875.db2.gz AKTPSIXFZSQHST-GDBMZVCRSA-N 0 0 293.407 2.876 20 10 CFCDRN Cn1cc([C@H](NCc2ccccc2O)C(F)(F)F)cn1 ZINC000813331002 631903785 /nfs/dbraw/zinc/90/37/85/631903785.db2.gz BEQMOETZCPXCHO-LBPRGKRZSA-N 0 0 285.269 2.519 20 10 CFCDRN Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc(N)cc1 ZINC000843292811 631920489 /nfs/dbraw/zinc/92/04/89/631920489.db2.gz NHJPSNXNUZFHPF-UHFFFAOYSA-N 0 0 258.325 2.676 20 10 CFCDRN COc1cccc(CNC(=O)C2(C(F)F)CCCC2)c1O ZINC000813488865 631926155 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/nfs/dbraw/zinc/06/40/36/632064036.db2.gz FAKFRHMBFZDZGF-QMMMGPOBSA-N 0 0 285.290 2.623 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843831115 632064158 /nfs/dbraw/zinc/06/41/58/632064158.db2.gz MEHGZKNMALBONQ-ZIAGYGMSSA-N 0 0 289.375 2.930 20 10 CFCDRN O=C(/C=C\C1CCCC1)NCCc1ccc(O)c(O)c1 ZINC000843833276 632064267 /nfs/dbraw/zinc/06/42/67/632064267.db2.gz QUPXHQVJHRPJJD-VURMDHGXSA-N 0 0 275.348 2.503 20 10 CFCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F ZINC000843959976 632083026 /nfs/dbraw/zinc/08/30/26/632083026.db2.gz LEPGNICWYSKIBA-SGRBOOSSSA-N 0 0 285.290 2.519 20 10 CFCDRN CCN(Cc1snnc1C)c1ccc(OC)cc1 ZINC000844302849 632162638 /nfs/dbraw/zinc/16/26/38/632162638.db2.gz BTHBINLTHNHMJR-UHFFFAOYSA-N 0 0 263.366 2.882 20 10 CFCDRN COc1ccc(N(C)Cc2csc(NC(C)=O)n2)cc1 ZINC000844352843 632176736 /nfs/dbraw/zinc/17/67/36/632176736.db2.gz ACYMHSOVDWYAJS-UHFFFAOYSA-N 0 0 291.376 2.747 20 10 CFCDRN COc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1 ZINC000844352741 632176789 /nfs/dbraw/zinc/17/67/89/632176789.db2.gz FUMGEVYBRJUHOV-UHFFFAOYSA-N 0 0 280.368 2.656 20 10 CFCDRN COc1ccc(N(C)CCN(C)Cc2cscn2)cc1 ZINC000844399680 632194826 /nfs/dbraw/zinc/19/48/26/632194826.db2.gz MNDNXHXZZWNMQK-UHFFFAOYSA-N 0 0 291.420 2.720 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000844418284 632201889 /nfs/dbraw/zinc/20/18/89/632201889.db2.gz PRMQQZFSJVUOHE-UHFFFAOYSA-N 0 0 262.309 2.723 20 10 CFCDRN COC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000844485977 632229122 /nfs/dbraw/zinc/22/91/22/632229122.db2.gz SFYPMMAWXSCMKC-UKVQZPPCSA-N 0 0 276.380 2.523 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1cccc(C(F)(F)F)c1[O-] ZINC000815583186 632292204 /nfs/dbraw/zinc/29/22/04/632292204.db2.gz YWGNHAGKMFMJKO-DTWKUNHWSA-N 0 0 277.286 2.833 20 10 CFCDRN COc1ccncc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000815630117 632301957 /nfs/dbraw/zinc/30/19/57/632301957.db2.gz XFBRRZSRRVDFFX-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCC(F)(F)C2)cc1 ZINC000844777329 632305822 /nfs/dbraw/zinc/30/58/22/632305822.db2.gz OFGKQUCUUBUFGD-UHFFFAOYSA-N 0 0 297.349 2.693 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C(C)C)cc1 ZINC000844853399 632322956 /nfs/dbraw/zinc/32/29/56/632322956.db2.gz HESRUTSVNGWNKY-AWEZNQCLSA-N 0 0 292.423 2.882 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc3cc[nH]c3c2)c1O ZINC000105651484 632326077 /nfs/dbraw/zinc/32/60/77/632326077.db2.gz FFPHLCAGRDXSSQ-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844893197 632329181 /nfs/dbraw/zinc/32/91/81/632329181.db2.gz ZLPDULVEXYAXON-BDAKNGLRSA-N 0 0 268.744 2.501 20 10 CFCDRN CC(C)Oc1ccnc(COC(=O)C2=CC(=O)CS2)c1 ZINC000845114426 632369742 /nfs/dbraw/zinc/36/97/42/632369742.db2.gz KGNSHRAWTPAPGD-UHFFFAOYSA-N 0 0 293.344 2.993 20 10 CFCDRN C[C@@H](NC(=O)N1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC000845126155 632372026 /nfs/dbraw/zinc/37/20/26/632372026.db2.gz XBUCEUFPRNXEAD-OCCSQVGLSA-N 0 0 293.386 2.957 20 10 CFCDRN C[C@@H]1COCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816514139 632474837 /nfs/dbraw/zinc/47/48/37/632474837.db2.gz NHIJWVGUGKEBGA-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN COc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])ccn1 ZINC000816547974 632481873 /nfs/dbraw/zinc/48/18/73/632481873.db2.gz PQARRUWCEOHOEK-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])ncn1 ZINC000816559869 632484038 /nfs/dbraw/zinc/48/40/38/632484038.db2.gz XWZOFYVPZHMDGN-UHFFFAOYSA-N 0 0 281.718 2.573 20 10 CFCDRN C[C@@H]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816563163 632485221 /nfs/dbraw/zinc/48/52/21/632485221.db2.gz MMVREUKYLBESGW-SNVBAGLBSA-N 0 0 286.778 2.616 20 10 CFCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816567738 632486867 /nfs/dbraw/zinc/48/68/67/632486867.db2.gz KNXOJHSNRZVQBJ-SDBXPKJASA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CO)CCCCC1 ZINC000816569320 632487903 /nfs/dbraw/zinc/48/79/03/632487903.db2.gz HVKKRLSLWLBRBR-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN COc1nn(C)cc1NCc1cc(Cl)c(F)cc1O ZINC000816589939 632490268 /nfs/dbraw/zinc/49/02/68/632490268.db2.gz NCWLNEQPILNEEO-UHFFFAOYSA-N 0 0 285.706 2.539 20 10 CFCDRN Oc1c(CN2C[C@H](O)CC(F)(F)C2)ccc2ccccc21 ZINC000816589414 632490473 /nfs/dbraw/zinc/49/04/73/632490473.db2.gz XMEHHBJJKHKCQI-CYBMUJFWSA-N 0 0 293.313 2.747 20 10 CFCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000816646990 632502605 /nfs/dbraw/zinc/50/26/05/632502605.db2.gz LZLNUDMNPGCOBT-JGVFFNPUSA-N 0 0 270.716 2.794 20 10 CFCDRN O=C(/C=C\COc1ccccc1)NCc1ccccc1O ZINC000816911831 632534863 /nfs/dbraw/zinc/53/48/63/632534863.db2.gz ABIGZWNQQSNZDL-WDZFZDKYSA-N 0 0 283.327 2.644 20 10 CFCDRN Cn1ncc(/C=C2\c3cccc4c3N(CCC4)C2=O)c1Cl ZINC000817345990 632610729 /nfs/dbraw/zinc/61/07/29/632610729.db2.gz OJFBDTQNEGIJOR-MDWZMJQESA-N 0 0 299.761 2.907 20 10 CFCDRN COCCCn1nccc1CN(C)c1ccc(OC)cc1 ZINC000845999249 632611163 /nfs/dbraw/zinc/61/11/63/632611163.db2.gz UOSVTGNLQZPEKR-UHFFFAOYSA-N 0 0 289.379 2.565 20 10 CFCDRN CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCC[N@@H+]1C ZINC000817417376 632627159 /nfs/dbraw/zinc/62/71/59/632627159.db2.gz KWRPXRPJGBDWQZ-SNVBAGLBSA-N 0 0 286.778 2.711 20 10 CFCDRN COc1ccc(CNC(=O)CC2(CSC)CC2)c(O)c1 ZINC000846062111 632627627 /nfs/dbraw/zinc/62/76/27/632627627.db2.gz YOGNMIQEMWMKOO-UHFFFAOYSA-N 0 0 295.404 2.550 20 10 CFCDRN Cc1cc(C(=O)NOCCC2CC2)c(C)n1-c1ccccn1 ZINC000817425741 632630463 /nfs/dbraw/zinc/63/04/63/632630463.db2.gz LOLSTKQLXXUNOZ-UHFFFAOYSA-N 0 0 299.374 2.951 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118161 632639108 /nfs/dbraw/zinc/63/91/08/632639108.db2.gz UUIRADUBADMXDQ-LBPRGKRZSA-N 0 0 257.255 2.762 20 10 CFCDRN COc1ccc(N[C@H](C)c2cccc(OC)c2O)nc1 ZINC000846160013 632649664 /nfs/dbraw/zinc/64/96/64/632649664.db2.gz LQXOUHUKUCFUKN-SNVBAGLBSA-N 0 0 274.320 2.978 20 10 CFCDRN CC(C)C(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000846173030 632654542 /nfs/dbraw/zinc/65/45/42/632654542.db2.gz PMAMVJDDZFMCKZ-UHFFFAOYSA-N 0 0 263.385 2.545 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CC2 ZINC000817525924 632657402 /nfs/dbraw/zinc/65/74/02/632657402.db2.gz WRQDTBCHZYVZII-OAHLLOKOSA-N 0 0 272.392 2.901 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000817587220 632671177 /nfs/dbraw/zinc/67/11/77/632671177.db2.gz CSZFRGBMFRFNPP-VXGBXAGGSA-N 0 0 297.370 2.766 20 10 CFCDRN COC1([C@H](C)[NH2+][C@H](C)c2ccccc2O)CCOCC1 ZINC000817588024 632672021 /nfs/dbraw/zinc/67/20/21/632672021.db2.gz LGRZJWLWESVVIH-OLZOCXBDSA-N 0 0 279.380 2.627 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CCOCC1 ZINC000817588025 632672386 /nfs/dbraw/zinc/67/23/86/632672386.db2.gz LGRZJWLWESVVIH-QWHCGFSZSA-N 0 0 279.380 2.627 20 10 CFCDRN Cc1cc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])ccc1N(C)C ZINC000846266397 632677987 /nfs/dbraw/zinc/67/79/87/632677987.db2.gz ZLWCSNNEZJGIRX-HNNXBMFYSA-N 0 0 290.407 2.890 20 10 CFCDRN Cc1cc(C[N@@H+](CCC(=O)[O-])C(C)C)ccc1N(C)C ZINC000846270002 632678735 /nfs/dbraw/zinc/67/87/35/632678735.db2.gz RDNOKEBGRNFZDQ-UHFFFAOYSA-N 0 0 278.396 2.746 20 10 CFCDRN CCN(C)c1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000846276841 632681197 /nfs/dbraw/zinc/68/11/97/632681197.db2.gz XQEYMLRCDWARIE-ZDUSSCGKSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1N(C)C ZINC000846282187 632684233 /nfs/dbraw/zinc/68/42/33/632684233.db2.gz WOKGAHFYWYQBLN-DZGCQCFKSA-N 0 0 290.407 2.604 20 10 CFCDRN CO[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846475286 632715971 /nfs/dbraw/zinc/71/59/71/632715971.db2.gz BQYKGFNTMQWJGM-GWCFXTLKSA-N 0 0 297.782 2.867 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475318 632715987 /nfs/dbraw/zinc/71/59/87/632715987.db2.gz BYWZMPKWAVYWCK-JSGCOSHPSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1C(F)(F)F ZINC000846476118 632716149 /nfs/dbraw/zinc/71/61/49/632716149.db2.gz JBHMOFJYNWBARQ-RKDXNWHRSA-N 0 0 293.672 2.860 20 10 CFCDRN CCCCC[C@H](O)C(=O)NCc1cc(Cl)ccc1O ZINC000846475681 632716705 /nfs/dbraw/zinc/71/67/05/632716705.db2.gz FGVSKCQIPNQOFF-ZDUSSCGKSA-N 0 0 285.771 2.603 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC000817881467 632716852 /nfs/dbraw/zinc/71/68/52/632716852.db2.gz UJCOAMOJLYSVSE-STQMWFEESA-N 0 0 277.364 2.694 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C2CCC2)CC1 ZINC000846478215 632717972 /nfs/dbraw/zinc/71/79/72/632717972.db2.gz MWPCXULEIXEGMR-ALCCZGGFSA-N 0 0 273.332 2.560 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC1(Cl)Cl ZINC000846480404 632718550 /nfs/dbraw/zinc/71/85/50/632718550.db2.gz VYCAWELAVLWURL-QMMMGPOBSA-N 0 0 294.565 2.856 20 10 CFCDRN CCc1nc(C(=O)NCc2cc(Cl)ccc2O)c(C)o1 ZINC000846477996 632718624 /nfs/dbraw/zinc/71/86/24/632718624.db2.gz XCBXWYOGPZSWCV-UHFFFAOYSA-N 0 0 294.738 2.834 20 10 CFCDRN C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817944383 632747697 /nfs/dbraw/zinc/74/76/97/632747697.db2.gz AHAZHTUQVHQGIG-JGVFFNPUSA-N 0 0 275.179 2.712 20 10 CFCDRN CC[C@@H]([NH2+]CCNC1CC1)c1cccc(Cl)c1[O-] ZINC000817954589 632755049 /nfs/dbraw/zinc/75/50/49/632755049.db2.gz ZLNFYUKYUDIBRD-CYBMUJFWSA-N 0 0 268.788 2.838 20 10 CFCDRN CC[C@H](NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817956034 632755530 /nfs/dbraw/zinc/75/55/30/632755530.db2.gz OGPCROJFDUBLTA-JTQLQIEISA-N 0 0 275.179 2.712 20 10 CFCDRN CC[C@@H](NCC(F)(F)CN)c1cc(Cl)ccc1O ZINC000817968700 632767147 /nfs/dbraw/zinc/76/71/47/632767147.db2.gz WDRPEZDSNWPGTL-SNVBAGLBSA-N 0 0 278.730 2.680 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000846665959 632768579 /nfs/dbraw/zinc/76/85/79/632768579.db2.gz PDWHBGWWQYXQMW-JKSUJKDBSA-N 0 0 272.392 2.754 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000817982248 632779029 /nfs/dbraw/zinc/77/90/29/632779029.db2.gz PZIPBSSQURXICC-OTYXRUKQSA-N 0 0 284.350 2.839 20 10 CFCDRN COc1cncc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000846747734 632782866 /nfs/dbraw/zinc/78/28/66/632782866.db2.gz VAVTXBUTCSYROH-UHFFFAOYSA-N 0 0 275.327 2.907 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818357946 632837006 /nfs/dbraw/zinc/83/70/06/632837006.db2.gz KYNSZPZTQQXXAJ-DIMCTHFVSA-N 0 0 276.163 2.873 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000818357947 632837282 /nfs/dbraw/zinc/83/72/82/632837282.db2.gz KYNSZPZTQQXXAJ-MQOMDTIOSA-N 0 0 276.163 2.873 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NC3(C)CC=CC3)ccc21 ZINC000847302965 632970364 /nfs/dbraw/zinc/97/03/64/632970364.db2.gz NTZGMUWJQXLNJB-UHFFFAOYSA-N 0 0 299.418 2.977 20 10 CFCDRN CCO/C=C\C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000847400277 632983161 /nfs/dbraw/zinc/98/31/61/632983161.db2.gz LHORYOFYKISQHK-RAXLEYEMSA-N 0 0 288.391 2.843 20 10 CFCDRN CCO/C=C/C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000847398701 632983205 /nfs/dbraw/zinc/98/32/05/632983205.db2.gz IBZNYHZJUDNXFJ-VAWYXSNFSA-N 0 0 276.380 2.651 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1C ZINC000819163302 632993060 /nfs/dbraw/zinc/99/30/60/632993060.db2.gz JFFOOOIQQRTWPL-SWLSCSKDSA-N 0 0 279.380 2.839 20 10 CFCDRN C[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000819396741 633147491 /nfs/dbraw/zinc/14/74/91/633147491.db2.gz AOXUIUFLCHVSSU-DGCLKSJQSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(F)=C2CCC2)c1 ZINC000819399254 633148902 /nfs/dbraw/zinc/14/89/02/633148902.db2.gz SXXANTJQASKPQW-SECBINFHSA-N 0 0 279.311 2.986 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cccnn1 ZINC000840384721 633165155 /nfs/dbraw/zinc/16/51/55/633165155.db2.gz OHHLQGXUFFAFNE-ZDUSSCGKSA-N 0 0 270.380 2.894 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cnccn1 ZINC000840385302 633169859 /nfs/dbraw/zinc/16/98/59/633169859.db2.gz UYHNGDKKNBJMLC-CYBMUJFWSA-N 0 0 270.380 2.894 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1CO ZINC000857061268 635922003 /nfs/dbraw/zinc/92/20/03/635922003.db2.gz NIRUCONCBWIKLF-MWLCHTKSSA-N 0 0 287.762 2.635 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000857080639 635926511 /nfs/dbraw/zinc/92/65/11/635926511.db2.gz JYQPKWBJWVUFDM-GXSJLCMTSA-N 0 0 299.317 2.875 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CCCCO1 ZINC000848391961 633247218 /nfs/dbraw/zinc/24/72/18/633247218.db2.gz RPTYKIPJKMXWIP-WDEREUQCSA-N 0 0 269.366 2.531 20 10 CFCDRN CC[C@H]([NH2+]CC1(COC)CC1)c1ccc(F)cc1[O-] ZINC000848561031 633289913 /nfs/dbraw/zinc/28/99/13/633289913.db2.gz OITAMMXMCFZFPR-ZDUSSCGKSA-N 0 0 267.344 2.999 20 10 CFCDRN Oc1ccccc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848570839 633292867 /nfs/dbraw/zinc/29/28/67/633292867.db2.gz BWIXEAPCEUOFBG-YPMHNXCESA-N 0 0 289.297 2.982 20 10 CFCDRN CCc1cccc(CNc2ccc(OCCO)cc2)c1O ZINC000848890608 633364487 /nfs/dbraw/zinc/36/44/87/633364487.db2.gz JDHQJZVJFDOZPE-UHFFFAOYSA-N 0 0 287.359 2.938 20 10 CFCDRN C/C=C/C[C@@H](NCc1cccc(CC)c1O)C(=O)OCC ZINC000848904791 633391016 /nfs/dbraw/zinc/39/10/16/633391016.db2.gz BJKHRLHPPUMADW-NFBGWVBBSA-N 0 0 291.391 2.942 20 10 CFCDRN CN(C)c1ccc(CN2CC3(CC3(F)F)C2)cc1F ZINC000848921845 633403604 /nfs/dbraw/zinc/40/36/04/633403604.db2.gz ICTORSJKCABNFJ-UHFFFAOYSA-N 0 0 270.298 2.733 20 10 CFCDRN CCc1cccc(CN(C)[C@H](C)c2nc(C)no2)c1O ZINC000848926001 633408952 /nfs/dbraw/zinc/40/89/52/633408952.db2.gz OZWOHGZITSCXMZ-SNVBAGLBSA-N 0 0 275.352 2.839 20 10 CFCDRN CCCNC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999836 633786701 /nfs/dbraw/zinc/78/67/01/633786701.db2.gz ZSYVQADYHHDYDY-LURJTMIESA-N 0 0 264.803 2.803 20 10 CFCDRN O=C1CCCN1CCSc1ncc(Cl)s1 ZINC000849998710 633787100 /nfs/dbraw/zinc/78/71/00/633787100.db2.gz IPWYLUYKOAOPLE-UHFFFAOYSA-N 0 0 262.787 2.511 20 10 CFCDRN CCOC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999748 633787106 /nfs/dbraw/zinc/78/71/06/633787106.db2.gz XCLCFWKHZJBJQQ-YFKPBYRVSA-N 0 0 251.760 2.840 20 10 CFCDRN Cc1nc(CNCc2ccc(N(C)C)cc2C)[nH]c1C ZINC000850137428 633853316 /nfs/dbraw/zinc/85/33/16/633853316.db2.gz ONPGPSQLMGWTTD-UHFFFAOYSA-N 0 0 272.396 2.691 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCC2CCC2)c1 ZINC000850379177 633966425 /nfs/dbraw/zinc/96/64/25/633966425.db2.gz HCHHREIISKWTCU-UHFFFAOYSA-N 0 0 264.325 2.970 20 10 CFCDRN COc1ccc(CNCc2nccc(OC)c2F)cc1C ZINC000850380313 633967637 /nfs/dbraw/zinc/96/76/37/633967637.db2.gz FDCWNRPRTHLXGM-UHFFFAOYSA-N 0 0 290.338 2.836 20 10 CFCDRN C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000850381155 633967775 /nfs/dbraw/zinc/96/77/75/633967775.db2.gz VHDSYEVFBWDFRB-GFCCVEGCSA-N 0 0 286.278 2.825 20 10 CFCDRN Oc1cc2c(cc1CNc1ccc3c(c1)CCOC3)OCO2 ZINC000850381359 633967843 /nfs/dbraw/zinc/96/78/43/633967843.db2.gz CJITVAVTGSTDDR-UHFFFAOYSA-N 0 0 299.326 2.806 20 10 CFCDRN CCCN1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000850394753 633975242 /nfs/dbraw/zinc/97/52/42/633975242.db2.gz BSQZPFXUNVTOGC-JTQLQIEISA-N 0 0 286.778 2.759 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000850484552 634013494 /nfs/dbraw/zinc/01/34/94/634013494.db2.gz LBOCKUDVCZWQFL-DIOULYMOSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499195 634019525 /nfs/dbraw/zinc/01/95/25/634019525.db2.gz 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639768916 /nfs/dbraw/zinc/76/89/16/639768916.db2.gz LEQZPKGFDCURIG-SECBINFHSA-N 0 0 285.771 2.865 20 10 CFCDRN COc1cccc(CN2CCOc3cc(F)ccc32)c1O ZINC000191968076 650532223 /nfs/dbraw/zinc/53/22/23/650532223.db2.gz JSNDGFVCONLFMW-UHFFFAOYSA-N 0 0 289.306 2.939 20 10 CFCDRN Oc1c(Br)cccc1CNc1cnccn1 ZINC000192152231 650541710 /nfs/dbraw/zinc/54/17/10/650541710.db2.gz RWBOEVMYOXQRHA-UHFFFAOYSA-N 0 0 280.125 2.557 20 10 CFCDRN COc1cc(CN2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192596392 650579553 /nfs/dbraw/zinc/57/95/53/650579553.db2.gz DTQTWWINEXFAGF-GFCCVEGCSA-N 0 0 293.407 2.919 20 10 CFCDRN CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)ccc1O ZINC000192933824 650610144 /nfs/dbraw/zinc/61/01/44/650610144.db2.gz SEXAFKGCPLLXJX-MRXNPFEDSA-N 0 0 298.342 2.987 20 10 CFCDRN CCOc1cccc(CN[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000123342865 641091902 /nfs/dbraw/zinc/09/19/02/641091902.db2.gz KRMDFYZIXMHZOR-LLVKDONJSA-N 0 0 295.379 2.611 20 10 CFCDRN O=C(NCC1([C@@H]2CCCCO2)CCC1)C1=CC(=O)CS1 ZINC000871043989 641175081 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/nfs/dbraw/zinc/24/51/26/641245126.db2.gz NGMUOPGYPUEGJM-LLVKDONJSA-N 0 0 297.358 2.642 20 10 CFCDRN O=C([C@@H]1CCCC12CC2)N1Cc2cccc(O)c2C1 ZINC000871207254 641246219 /nfs/dbraw/zinc/24/62/19/641246219.db2.gz LNPHKMYHPGAMGU-ZDUSSCGKSA-N 0 0 257.333 2.815 20 10 CFCDRN CCOC(=O)CC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000871679183 641399937 /nfs/dbraw/zinc/39/99/37/641399937.db2.gz UXCVGSHOPVMTDD-ZCFIWIBFSA-N 0 0 293.797 2.799 20 10 CFCDRN CC(C)Nc1ccccc1NCCc1ccnn1C ZINC000871845560 641478917 /nfs/dbraw/zinc/47/89/17/641478917.db2.gz BCGKVYAZTPEBJL-UHFFFAOYSA-N 0 0 258.369 2.895 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000871876348 641494079 /nfs/dbraw/zinc/49/40/79/641494079.db2.gz YBSZOAJSARUTGI-INWMFGNUSA-N 0 0 290.407 2.732 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)C(=O)[O-])cc1C ZINC000871878407 641494986 /nfs/dbraw/zinc/49/49/86/641494986.db2.gz KEDYWCGRNTVGIN-STQMWFEESA-N 0 0 279.380 2.983 20 10 CFCDRN Cc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000871882955 641499558 /nfs/dbraw/zinc/49/95/58/641499558.db2.gz YGUIDQOCTNUTPA-KRWDZBQOSA-N 0 0 297.354 2.845 20 10 CFCDRN Cc1nonc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000872134958 641663517 /nfs/dbraw/zinc/66/35/17/641663517.db2.gz AOJJCXNQHBPKOB-ZETCQYMHSA-N 0 0 267.716 2.588 20 10 CFCDRN CC[C@H](NCc1nonc1C)c1ccc(N(C)C)cc1 ZINC000872137132 641664842 /nfs/dbraw/zinc/66/48/42/641664842.db2.gz QVAJKSDABMXWLO-AWEZNQCLSA-N 0 0 274.368 2.685 20 10 CFCDRN CC[C@@H](NCc1nonc1C)c1ccc(N(C)C)cc1 ZINC000872137134 641665269 /nfs/dbraw/zinc/66/52/69/641665269.db2.gz QVAJKSDABMXWLO-CQSZACIVSA-N 0 0 274.368 2.685 20 10 CFCDRN CC1(c2nc(Cc3ccc(N)cc3)no2)CC(F)(F)C1 ZINC000872170742 641689941 /nfs/dbraw/zinc/68/99/41/641689941.db2.gz KPBDZQGXXARIFT-UHFFFAOYSA-N 0 0 279.290 2.929 20 10 CFCDRN C[C@H]([NH2+]CCCOC(F)F)c1ccc(F)cc1[O-] ZINC000194034333 650713956 /nfs/dbraw/zinc/71/39/56/650713956.db2.gz XFRVHRQXJMLXHA-QMMMGPOBSA-N 0 0 263.259 2.811 20 10 CFCDRN COc1cc(-c2nc3ccccc3[nH]2)cc(O)c1O ZINC000194102619 650716758 /nfs/dbraw/zinc/71/67/58/650716758.db2.gz CRDSHOSBJXNMLA-UHFFFAOYSA-N 0 0 256.261 2.650 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230280 642082230 /nfs/dbraw/zinc/08/22/30/642082230.db2.gz OOFOXXDSCHWWEI-GXTWGEPZSA-N 0 0 284.762 2.559 20 10 CFCDRN Cc1ccc(C(=O)OC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(O)c1O ZINC000873355414 642149545 /nfs/dbraw/zinc/14/95/45/642149545.db2.gz IWTQFKQHJLHNPG-MDZLAQPJSA-N 0 0 292.331 2.521 20 10 CFCDRN CCOC(=O)[C@H](NCc1ccccc1O)c1ccccc1 ZINC000194748278 650726831 /nfs/dbraw/zinc/72/68/31/650726831.db2.gz VTKLZYORQIKKFT-MRXNPFEDSA-N 0 0 285.343 2.786 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1O ZINC000081943205 650731197 /nfs/dbraw/zinc/73/11/97/650731197.db2.gz JUUPALTVVZWMKA-UHFFFAOYSA-N 0 0 275.279 2.509 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)Oc3ccccc32)cn1 ZINC000124612757 642287526 /nfs/dbraw/zinc/28/75/26/642287526.db2.gz SRNFWZRWXMVMDM-CMDGGOBGSA-N 0 0 297.358 2.638 20 10 CFCDRN CCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873911655 642307444 /nfs/dbraw/zinc/30/74/44/642307444.db2.gz MTKZNHLEOVFPEF-VIFPVBQESA-N 0 0 262.313 2.767 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124742220 642310064 /nfs/dbraw/zinc/31/00/64/642310064.db2.gz FRRQZEQDURZIJT-VXGBXAGGSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874182421 642349738 /nfs/dbraw/zinc/34/97/38/642349738.db2.gz YIPLECNGPXJLAL-VIFPVBQESA-N 0 0 274.324 2.625 20 10 CFCDRN Cc1csc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)n1 ZINC000874500210 642407214 /nfs/dbraw/zinc/40/72/14/642407214.db2.gz NRBKAPKWKIDSQJ-SECBINFHSA-N 0 0 294.401 2.848 20 10 CFCDRN O=C(NC1CC(Nc2ccccc2)C1)C1=CC(=O)CS1 ZINC000874716159 642461046 /nfs/dbraw/zinc/46/10/46/642461046.db2.gz JZPKCZMBWOFQAH-UHFFFAOYSA-N 0 0 288.372 2.827 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC=CCC2)c1 ZINC000875163129 642593031 /nfs/dbraw/zinc/59/30/31/642593031.db2.gz VDAURVJAGVAABX-ZDUSSCGKSA-N 0 0 274.364 2.856 20 10 CFCDRN CCON(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000875508300 642631819 /nfs/dbraw/zinc/63/18/19/642631819.db2.gz YMIFSRNWMPEJCX-GFCCVEGCSA-N 0 0 279.384 2.797 20 10 CFCDRN O=C(N[C@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875584583 642646480 /nfs/dbraw/zinc/64/64/80/642646480.db2.gz GRSPMKPUZFMDGP-LBPRGKRZSA-N 0 0 282.290 2.605 20 10 CFCDRN Cc1ccoc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875615416 642650634 /nfs/dbraw/zinc/65/06/34/642650634.db2.gz NECIUTCXIYQNGO-UHFFFAOYSA-N 0 0 272.304 2.519 20 10 CFCDRN O=C(NCCC1CC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875655058 642659812 /nfs/dbraw/zinc/65/98/12/642659812.db2.gz ZYWXXCYDGWWMGA-UHFFFAOYSA-N 0 0 296.317 2.853 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccns1 ZINC000875893022 642710622 /nfs/dbraw/zinc/71/06/22/642710622.db2.gz WOEUQKFHRUXODF-JTQLQIEISA-N 0 0 291.376 2.751 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000876526410 642904709 /nfs/dbraw/zinc/90/47/09/642904709.db2.gz SVXSRSHRTQFQRL-UHFFFAOYSA-N 0 0 293.313 2.665 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCCCO1 ZINC000087299401 650801390 /nfs/dbraw/zinc/80/13/90/650801390.db2.gz XJBBATSIAVAVLN-INIZCTEOSA-N 0 0 290.407 2.636 20 10 CFCDRN Cc1ccc(CN2CCOC[C@@H]2c2ccco2)c(O)c1 ZINC000876729121 642986213 /nfs/dbraw/zinc/98/62/13/642986213.db2.gz FESXLDYZENCXBP-CQSZACIVSA-N 0 0 273.332 2.867 20 10 CFCDRN CCOC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876739692 642987983 /nfs/dbraw/zinc/98/79/83/642987983.db2.gz PQCHNKRQNVRXFV-NSHDSACASA-N 0 0 285.334 2.919 20 10 CFCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000126199814 643032823 /nfs/dbraw/zinc/03/28/23/643032823.db2.gz KYCNQTVUWKCRMK-UHFFFAOYSA-N 0 0 273.288 2.749 20 10 CFCDRN C[C@H]1CCCCN1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876930844 643068060 /nfs/dbraw/zinc/06/80/60/643068060.db2.gz DQSQJLHYUWZYQN-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)C1CCCCCC1 ZINC000126267494 643085803 /nfs/dbraw/zinc/08/58/03/643085803.db2.gz REGPETDZCJOQOA-UHFFFAOYSA-N 0 0 263.337 2.893 20 10 CFCDRN Cc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000126319764 643117707 /nfs/dbraw/zinc/11/77/07/643117707.db2.gz RKGXBHQSAKWNPY-LLVKDONJSA-N 0 0 271.316 2.897 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])c1cccs1 ZINC000877049964 643120986 /nfs/dbraw/zinc/12/09/86/643120986.db2.gz WGGBYJAKVZPLOF-CQSZACIVSA-N 0 0 299.342 2.729 20 10 CFCDRN CC(C)n1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877053919 643123325 /nfs/dbraw/zinc/12/33/25/643123325.db2.gz ZYTPXLDRGQQIPV-UHFFFAOYSA-N 0 0 281.306 2.738 20 10 CFCDRN C[C@H]1CC[C@H](CCC(=O)N(C)c2ccc(N)cc2)O1 ZINC000877077823 643139480 /nfs/dbraw/zinc/13/94/80/643139480.db2.gz VRONEKJKXJZUFI-SMDDNHRTSA-N 0 0 262.353 2.579 20 10 CFCDRN CC[C@@H](OC1CCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078138 643139485 /nfs/dbraw/zinc/13/94/85/643139485.db2.gz FBDOQYWBUINFOF-OAHLLOKOSA-N 0 0 276.380 2.969 20 10 CFCDRN COc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877078701 643139600 /nfs/dbraw/zinc/13/96/00/643139600.db2.gz ZWSRTYJRTDWEEV-UHFFFAOYSA-N 0 0 296.370 2.972 20 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JRSOKVGHIJKPLY-OAHLLOKOSA-N 0 0 285.334 2.797 20 10 CFCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCOCC1 ZINC000877482381 643298406 /nfs/dbraw/zinc/29/84/06/643298406.db2.gz IDORSWZKRKKJQQ-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN Cc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c(O)c1 ZINC000877515966 643321417 /nfs/dbraw/zinc/32/14/17/643321417.db2.gz AHQBSSSTCMANHL-GWCFXTLKSA-N 0 0 289.297 2.852 20 10 CFCDRN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(F)c(F)c4[O-])[C@H]1[C@H]3C2 ZINC000877516797 643321864 /nfs/dbraw/zinc/32/18/64/643321864.db2.gz IJTXFJBRPOVUOI-DSJPLQJWSA-N 0 0 295.329 2.526 20 10 CFCDRN [O-]c1c(C[NH2+]Cc2noc3c2CCCC3)ccc(F)c1F ZINC000877535144 643337542 /nfs/dbraw/zinc/33/75/42/643337542.db2.gz WIYGTUNBHJIHSR-UHFFFAOYSA-N 0 0 294.301 2.827 20 10 CFCDRN Cc1ccc(CN2C[C@H](C)NC(=O)c3ccccc32)c(O)c1 ZINC000877537782 643341479 /nfs/dbraw/zinc/34/14/79/643341479.db2.gz VLSGEYRGGWHCHK-ZDUSSCGKSA-N 0 0 296.370 2.839 20 10 CFCDRN [O-]c1c(C[N@H+]2CC[C@H](O)C23CCCC3)ccc(F)c1F ZINC000877550067 643351011 /nfs/dbraw/zinc/35/10/11/643351011.db2.gz TXDDUOYMNDAMLP-LBPRGKRZSA-N 0 0 283.318 2.550 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc(F)c1F ZINC000877563043 643362611 /nfs/dbraw/zinc/36/26/11/643362611.db2.gz FOORXDOELXFDHO-BNOWGMLFSA-N 0 0 297.345 2.796 20 10 CFCDRN Cc1nocc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877564077 643364457 /nfs/dbraw/zinc/36/44/57/643364457.db2.gz XNQXNLSSSRAMKM-UHFFFAOYSA-N 0 0 270.691 2.771 20 10 CFCDRN CCn1cc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877573481 643371055 /nfs/dbraw/zinc/37/10/55/643371055.db2.gz YKMGLHYEOWOAHH-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN CC1(C)CCCN1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877577035 643374510 /nfs/dbraw/zinc/37/45/10/643374510.db2.gz TUCJRZBECHCLSJ-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN CC1(O)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000877581216 643378055 /nfs/dbraw/zinc/37/80/55/643378055.db2.gz RDNSNSSSLDKVDU-UHFFFAOYSA-N 0 0 299.370 2.538 20 10 CFCDRN Cc1cccc(O)c1CNc1cccc2c1CCN(C)C2=O ZINC000877630735 643415393 /nfs/dbraw/zinc/41/53/93/643415393.db2.gz KSZGVXHGPUWCQS-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CCCc1ccco1 ZINC000877636589 643419772 /nfs/dbraw/zinc/41/97/72/643419772.db2.gz CWGCAVGUKWEIOB-UHFFFAOYSA-N 0 0 267.275 2.986 20 10 CFCDRN Cc1cccc(O)c1CNc1cnn2c1CCCC2 ZINC000877692808 643458140 /nfs/dbraw/zinc/45/81/40/643458140.db2.gz VCZLQBXRQZTKOI-UHFFFAOYSA-N 0 0 257.337 2.846 20 10 CFCDRN COc1cc(CN2Cc3cccc(O)c3C2)cc2c1OCO2 ZINC000877704000 643468839 /nfs/dbraw/zinc/46/88/39/643468839.db2.gz VOALUSXNGWHXSK-UHFFFAOYSA-N 0 0 299.326 2.645 20 10 CFCDRN Cn1nc(C(F)(F)F)cc1CN1Cc2cccc(O)c2C1 ZINC000877703134 643469286 /nfs/dbraw/zinc/46/92/86/643469286.db2.gz SLIWJOGQYWCWHU-UHFFFAOYSA-N 0 0 297.280 2.660 20 10 CFCDRN Cc1ccc(CN2CCO[C@](C)(C(F)(F)F)C2)c(O)c1 ZINC000877715617 643480291 /nfs/dbraw/zinc/48/02/91/643480291.db2.gz FVSVCYAVHIEUJK-ZDUSSCGKSA-N 0 0 289.297 2.854 20 10 CFCDRN CC1(C)C[C@H](O)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877751290 643526589 /nfs/dbraw/zinc/52/65/89/643526589.db2.gz AWMSPGYCJMORMT-JTQLQIEISA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877778595 643554600 /nfs/dbraw/zinc/55/46/00/643554600.db2.gz RZXWBUURMJZYHH-WCBMZHEXSA-N 0 0 275.751 2.824 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)ccc(F)c1F ZINC000877805484 643567288 /nfs/dbraw/zinc/56/72/88/643567288.db2.gz JXHPILSBOKNTAA-XHVZSJERSA-N 0 0 283.318 2.718 20 10 CFCDRN O=C1N(c2ccccc2)[C@@H](c2cccc(F)c2O)NC12CC2 ZINC000877858655 643609717 /nfs/dbraw/zinc/60/97/17/643609717.db2.gz KGCRLMMHMQFSEV-HNNXBMFYSA-N 0 0 298.317 2.699 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nc(CC2CC2)no1 ZINC000877944999 643657754 /nfs/dbraw/zinc/65/77/54/643657754.db2.gz YENJCHUBWFTYIY-UHFFFAOYSA-N 0 0 299.374 2.984 20 10 CFCDRN Oc1ccccc1CNc1ncnc2c1CCCC2 ZINC000127199602 643936849 /nfs/dbraw/zinc/93/68/49/643936849.db2.gz NZZUMLRCCQNXCS-UHFFFAOYSA-N 0 0 255.321 2.673 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C3CCC3)no2)cc1 ZINC000878801225 644031375 /nfs/dbraw/zinc/03/13/75/644031375.db2.gz HOJMATVZVRLWHP-UHFFFAOYSA-N 0 0 273.336 2.982 20 10 CFCDRN Cc1cc(C=C2SC(=S)NC2=O)ccc1F ZINC000209782727 644144198 /nfs/dbraw/zinc/14/41/98/644144198.db2.gz OVIGZPVSUYPQKX-WEVVVXLNSA-N 0 0 253.323 2.623 20 10 CFCDRN CCc1noc([C@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879648741 644363496 /nfs/dbraw/zinc/36/34/96/644363496.db2.gz BSAWWRWPROTQHO-ZJUUUORDSA-N 0 0 261.325 2.749 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000248489549 650935932 /nfs/dbraw/zinc/93/59/32/650935932.db2.gz HMVYPEVNIDMQKV-QWHCGFSZSA-N 0 0 280.387 2.914 20 10 CFCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F ZINC000881282934 644942639 /nfs/dbraw/zinc/94/26/39/644942639.db2.gz NMYFHEPEOZNHSW-SECBINFHSA-N 0 0 298.333 2.724 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(C3CC3)nn2)cc1 ZINC000881316654 644950845 /nfs/dbraw/zinc/95/08/45/644950845.db2.gz XRVCKWIJRPRUAW-UHFFFAOYSA-N 0 0 256.353 2.660 20 10 CFCDRN CC1(C)CO[C@@H](CCC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000881428070 644971076 /nfs/dbraw/zinc/97/10/76/644971076.db2.gz BXRWZRAEKFZQJS-ZDUSSCGKSA-N 0 0 289.375 2.830 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C)c1ccccc1O ZINC000881440701 644975374 /nfs/dbraw/zinc/97/53/74/644975374.db2.gz MBRBXNJOYKGDPP-MMPTUQATSA-N 0 0 299.374 2.659 20 10 CFCDRN COc1cccc(CNc2cc(C3CC3)ncn2)c1O ZINC000881909369 645151719 /nfs/dbraw/zinc/15/17/19/645151719.db2.gz JPTVXHFALBUNAH-UHFFFAOYSA-N 0 0 271.320 2.680 20 10 CFCDRN Cn1cc(CSc2ncc(Cl)s2)c([N+](=O)[O-])n1 ZINC000882236784 645250521 /nfs/dbraw/zinc/25/05/21/645250521.db2.gz CGLSNYXNJWEVPZ-UHFFFAOYSA-N 0 0 290.757 2.731 20 10 CFCDRN Cc1cc(NCc2c(O)cccc2Cl)nn1C ZINC000129643765 645308672 /nfs/dbraw/zinc/30/86/72/645308672.db2.gz YTKARDUYGZIBNS-UHFFFAOYSA-N 0 0 251.717 2.700 20 10 CFCDRN C[C@@H](NS(=O)(=O)CC1(C)CCC1)c1ccccc1O ZINC000882502804 645347290 /nfs/dbraw/zinc/34/72/90/645347290.db2.gz PSDGIZZRAQXUGC-LLVKDONJSA-N 0 0 283.393 2.563 20 10 CFCDRN Cc1ccc(CCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000096993283 651008823 /nfs/dbraw/zinc/00/88/23/651008823.db2.gz NLEKAQUILBSEFA-UHFFFAOYSA-N 0 0 299.370 2.698 20 10 CFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccncc1 ZINC000130672582 645546404 /nfs/dbraw/zinc/54/64/04/645546404.db2.gz YMJVXFPHEKDERY-CYBMUJFWSA-N 0 0 284.359 2.939 20 10 CFCDRN CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883017178 645564811 /nfs/dbraw/zinc/56/48/11/645564811.db2.gz ZPMAOPPLNMTAGF-OAHLLOKOSA-N 0 0 287.350 2.947 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000883043943 645579861 /nfs/dbraw/zinc/57/98/61/645579861.db2.gz BSRVWGSLDLTFCB-MRVWCRGKSA-N 0 0 283.318 2.718 20 10 CFCDRN CCCN1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883118888 645610617 /nfs/dbraw/zinc/61/06/17/645610617.db2.gz ISKSTJAVHMECGL-ZDUSSCGKSA-N 0 0 284.350 2.634 20 10 CFCDRN COC1([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883146400 645624991 /nfs/dbraw/zinc/62/49/91/645624991.db2.gz LVKJIDKKTAXSRM-SECBINFHSA-N 0 0 271.307 2.718 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)C(C)C ZINC000883146282 645625067 /nfs/dbraw/zinc/62/50/67/645625067.db2.gz HFGJMBZJASWPFX-QWHCGFSZSA-N 0 0 273.323 2.556 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000883197197 645657897 /nfs/dbraw/zinc/65/78/97/645657897.db2.gz FRQWCNGPNAWLAC-XHDPSFHLSA-N 0 0 297.345 2.965 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC(F)CC2)cc1F ZINC000883241179 645689592 /nfs/dbraw/zinc/68/95/92/645689592.db2.gz ONUUIZHTWQZLBU-UHFFFAOYSA-N 0 0 297.349 2.535 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883245452 645692979 /nfs/dbraw/zinc/69/29/79/645692979.db2.gz LWRXTGKEOKSKTP-QWRGUYRKSA-N 0 0 262.309 2.917 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883245451 645693140 /nfs/dbraw/zinc/69/31/40/645693140.db2.gz LWRXTGKEOKSKTP-MNOVXSKESA-N 0 0 262.309 2.917 20 10 CFCDRN C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000131318937 645696334 /nfs/dbraw/zinc/69/63/34/645696334.db2.gz GXYRJOLGPDVTOW-VXGBXAGGSA-N 0 0 293.386 2.974 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276151 645718046 /nfs/dbraw/zinc/71/80/46/645718046.db2.gz GTCUTNLLVQKDBB-WCQYABFASA-N 0 0 293.338 2.626 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000883316246 645734700 /nfs/dbraw/zinc/73/47/00/645734700.db2.gz QSXSPQLPCFQHPU-DTORHVGOSA-N 0 0 273.735 2.699 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](CF)C1 ZINC000883421071 645815538 /nfs/dbraw/zinc/81/55/38/645815538.db2.gz AXRIZPPTNOCWJS-ZDUSSCGKSA-N 0 0 293.386 2.562 20 10 CFCDRN CN(C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(N)cc1 ZINC000883437085 645830824 /nfs/dbraw/zinc/83/08/24/645830824.db2.gz JFRLCUHNYFDFKP-INIZCTEOSA-N 0 0 290.407 2.681 20 10 CFCDRN CCN(CC)c1ccc(C=Cc2nccc(=O)[nH]2)cc1F ZINC000131826015 645831456 /nfs/dbraw/zinc/83/14/56/645831456.db2.gz OIAVWSOXHAUFGP-SOFGYWHQSA-N 0 0 287.338 2.926 20 10 CFCDRN COc1ccc(N(C)CCOCC(F)(F)F)c(OC)c1 ZINC000132105872 645877540 /nfs/dbraw/zinc/87/75/40/645877540.db2.gz BUIBCKBAOVJSCL-UHFFFAOYSA-N 0 0 293.285 2.719 20 10 CFCDRN CCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132577748 645936649 /nfs/dbraw/zinc/93/66/49/645936649.db2.gz RXANUXSJFCPJEB-UHFFFAOYSA-N 0 0 258.159 2.997 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1C=CCC1)c1ccccc1O ZINC000883785387 645971959 /nfs/dbraw/zinc/97/19/59/645971959.db2.gz QIZVTCNCAHIXNA-NWDGAFQWSA-N 0 0 260.337 2.719 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(CO)cc2)cc1 ZINC000133205501 646058739 /nfs/dbraw/zinc/05/87/39/646058739.db2.gz RRVCNCIAWPEZQN-UHFFFAOYSA-N 0 0 257.333 2.824 20 10 CFCDRN CC1(C)CO[C@H](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000884008981 646094883 /nfs/dbraw/zinc/09/48/83/646094883.db2.gz HZAKXINTQAVHDL-CYBMUJFWSA-N 0 0 262.353 2.803 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2ccccc2n1 ZINC000133790215 646228123 /nfs/dbraw/zinc/22/81/23/646228123.db2.gz RULIBMVJHSPCMV-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN Nc1ccc(CCNC(=O)C2CCC(F)(F)CC2)cc1 ZINC000216251029 646541496 /nfs/dbraw/zinc/54/14/96/646541496.db2.gz IIVUUQSYAZFYAP-UHFFFAOYSA-N 0 0 282.334 2.753 20 10 CFCDRN OCCCc1cccc(NCc2ccccc2O)c1 ZINC000136224180 646752471 /nfs/dbraw/zinc/75/24/71/646752471.db2.gz LAPDUCPQLNKETH-UHFFFAOYSA-N 0 0 257.333 2.929 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1c([O-])cccc1F ZINC000886489935 647017441 /nfs/dbraw/zinc/01/74/41/647017441.db2.gz VJFXUNRHSCORIC-JTQLQIEISA-N 0 0 254.349 2.522 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491965 647017899 /nfs/dbraw/zinc/01/78/99/647017899.db2.gz XVLYAGFTHGSCSN-RYUDHWBXSA-N 0 0 266.360 2.666 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886498803 647020431 /nfs/dbraw/zinc/02/04/31/647020431.db2.gz QLRWKSMAPBQARG-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1c([O-])cccc1F ZINC000886524144 647027884 /nfs/dbraw/zinc/02/78/84/647027884.db2.gz DUDAJFSRWPLMIR-WCQYABFASA-N 0 0 278.371 2.666 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1c([O-])cccc1F ZINC000886530196 647031933 /nfs/dbraw/zinc/03/19/33/647031933.db2.gz GBTBKJUJNKCSIL-TVQRCGJNSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1c([O-])cccc1F ZINC000886531082 647032567 /nfs/dbraw/zinc/03/25/67/647032567.db2.gz WJHKUPMYWQHZMA-MISXLKTNSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1c([O-])cccc1F ZINC000886534972 647034340 /nfs/dbraw/zinc/03/43/40/647034340.db2.gz SBOAADUHUGXHSQ-NWDGAFQWSA-N 0 0 266.360 2.666 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886535420 647035103 /nfs/dbraw/zinc/03/51/03/647035103.db2.gz ZXBNVAMAJSHNPX-MFKMUULPSA-N 0 0 255.333 2.853 20 10 CFCDRN C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1c([O-])cccc1F ZINC000886539033 647036458 /nfs/dbraw/zinc/03/64/58/647036458.db2.gz RUIGHSFYJAHQBR-QXKQMHMISA-N 0 0 287.334 2.840 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886538420 647036882 /nfs/dbraw/zinc/03/68/82/647036882.db2.gz HMFGAWXBLWCZPX-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c([O-])cccc1F ZINC000886538518 647037059 /nfs/dbraw/zinc/03/70/59/647037059.db2.gz JKWAPBFIKNEGAP-SDDRHHMPSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H](O)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886550333 647043893 /nfs/dbraw/zinc/04/38/93/647043893.db2.gz XOYIVWZUXALGIL-MNOVXSKESA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1c([O-])cccc1F ZINC000886552983 647044844 /nfs/dbraw/zinc/04/48/44/647044844.db2.gz ADYKQSDEPPKWMC-WDEREUQCSA-N 0 0 269.360 2.979 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558674 647046431 /nfs/dbraw/zinc/04/64/31/647046431.db2.gz PIIQBCAHVDRQNB-RKDXNWHRSA-N 0 0 278.331 2.624 20 10 CFCDRN C[C@@H]([NH2+]CCCCCCO)c1c([O-])cccc1F ZINC000886561535 647047866 /nfs/dbraw/zinc/04/78/66/647047866.db2.gz AYRLBHCVIOHTFB-LLVKDONJSA-N 0 0 255.333 2.735 20 10 CFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886617246 647069706 /nfs/dbraw/zinc/06/97/06/647069706.db2.gz IGYHKCNFKJVHLT-GHMZBOCLSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886623395 647073583 /nfs/dbraw/zinc/07/35/83/647073583.db2.gz CNVRWLCNYPWVMN-VWYCJHECSA-N 0 0 253.317 2.749 20 10 CFCDRN CCn1ccc(CN[C@H](C)c2c(O)cccc2F)n1 ZINC000886625542 647075526 /nfs/dbraw/zinc/07/55/26/647075526.db2.gz UJTHGAXTLJMVBF-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@H]([NH2+]CCC1(CO)CCC1)c1c([O-])cccc1F ZINC000886633289 647078721 /nfs/dbraw/zinc/07/87/21/647078721.db2.gz RFBKFPXVQKNPEU-NSHDSACASA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1c([O-])cccc1F ZINC000886637685 647081867 /nfs/dbraw/zinc/08/18/67/647081867.db2.gz CEQXJPYWKGEAFR-SNVBAGLBSA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1c([O-])cccc1F ZINC000886638632 647082133 /nfs/dbraw/zinc/08/21/33/647082133.db2.gz YVBRAHHAJWDGQY-MNOVXSKESA-N 0 0 265.328 2.894 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886639772 647082705 /nfs/dbraw/zinc/08/27/05/647082705.db2.gz LNSWDFZUEMTARW-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886642869 647083982 /nfs/dbraw/zinc/08/39/82/647083982.db2.gz CONCOGSLBQJURV-PXWWUCIGSA-N 0 0 265.328 2.749 20 10 CFCDRN CCC[C@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886644460 647084896 /nfs/dbraw/zinc/08/48/96/647084896.db2.gz DCQGWKBCLZDGEQ-WDEREUQCSA-N 0 0 255.333 2.733 20 10 CFCDRN CSCc1nnc(C[NH2+][C@H](C)c2ccc(C)cc2O)[n-]1 ZINC000886757926 647128242 /nfs/dbraw/zinc/12/82/42/647128242.db2.gz VPBZPXGMUKYTCS-SNVBAGLBSA-N 0 0 292.408 2.533 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H]1CCCOC1 ZINC000886789460 647137812 /nfs/dbraw/zinc/13/78/12/647137812.db2.gz VLXRVYBHTCVRCC-XUJVJEKNSA-N 0 0 297.370 2.624 20 10 CFCDRN Cc1ccc(O)c([C@H](C)N[C@H](CCO)C(F)(F)F)c1 ZINC000886801545 647144293 /nfs/dbraw/zinc/14/42/93/647144293.db2.gz OROVNNCIRLWDAE-JOYOIKCWSA-N 0 0 277.286 2.665 20 10 CFCDRN CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C ZINC000221276498 647186365 /nfs/dbraw/zinc/18/63/65/647186365.db2.gz ZNPXZZLDUDCYSQ-GXFFZTMASA-N 0 0 269.772 2.902 20 10 CFCDRN C[C@@H]1CC(CNC(=O)Cc2ccc(N)cc2)C[C@@H](C)C1 ZINC000829131202 647821941 /nfs/dbraw/zinc/82/19/41/647821941.db2.gz JCXRPRMYDVABAQ-STQMWFEESA-N 0 0 274.408 3.000 20 10 CFCDRN CC(C)(/C=C\Cl)NC(=O)Nc1ccc(N)cc1 ZINC000926146116 648416402 /nfs/dbraw/zinc/41/64/02/648416402.db2.gz YEQKGXCFXDEIBV-FPLPWBNLSA-N 0 0 253.733 2.921 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc(N)cc2)CCOc2ccccc21 ZINC000927768404 648829547 /nfs/dbraw/zinc/82/95/47/648829547.db2.gz PTJFEFOKXCOBJP-GOSISDBHSA-N 0 0 296.370 2.625 20 10 CFCDRN CC(C)(C)OC[C@@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000928236344 648883233 /nfs/dbraw/zinc/88/32/33/648883233.db2.gz DEMDBJDSXFUDRB-JTQLQIEISA-N 0 0 283.393 2.873 20 10 CFCDRN C[C@H](C(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000928705559 648944306 /nfs/dbraw/zinc/94/43/06/648944306.db2.gz LJKHSPKIDNEMQO-JTQLQIEISA-N 0 0 265.328 2.974 20 10 CFCDRN CCCc1ncc(C(=O)NCc2c(O)cccc2F)s1 ZINC000928705322 648944944 /nfs/dbraw/zinc/94/49/44/648944944.db2.gz JKENTWVEQRMDTF-UHFFFAOYSA-N 0 0 294.351 2.870 20 10 CFCDRN CC(C)(C)/C=C\C(=O)NCc1c(O)cccc1F ZINC000928706580 648945392 /nfs/dbraw/zinc/94/53/92/648945392.db2.gz XPZXCBFYSARRTE-FPLPWBNLSA-N 0 0 251.301 2.750 20 10 CFCDRN C[C@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1 ZINC000928706666 648945594 /nfs/dbraw/zinc/94/55/94/648945594.db2.gz UPELJOWDLXJJCV-HNNXBMFYSA-N 0 0 263.312 2.894 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2c(O)cccc2F)c(C)n1 ZINC000928709665 648945994 /nfs/dbraw/zinc/94/59/94/648945994.db2.gz KRAXULZPCCLXNI-UHFFFAOYSA-N 0 0 288.322 2.782 20 10 CFCDRN COC/C(C)=C/CN(C)c1ccc(OC)c(F)c1 ZINC000929824249 649131752 /nfs/dbraw/zinc/13/17/52/649131752.db2.gz DTZCFVCQLIISNX-YRNVUSSQSA-N 0 0 253.317 2.863 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nnc2C)cc1F ZINC000929825507 649131778 /nfs/dbraw/zinc/13/17/78/649131778.db2.gz IYNJTOVRGZUPLG-UHFFFAOYSA-N 0 0 275.327 2.878 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCC3(COC3)O2)cc1Cl ZINC000929827509 649132637 /nfs/dbraw/zinc/13/26/37/649132637.db2.gz CKTSZXXGFOVKHS-GFCCVEGCSA-N 0 0 297.782 2.733 20 10 CFCDRN CCOc1ccc(N(CC)CCO[C@H]2CCOC2)cc1 ZINC000929913492 649149238 /nfs/dbraw/zinc/14/92/38/649149238.db2.gz MZCQMWPEQPPFDK-INIZCTEOSA-N 0 0 279.380 2.717 20 10 CFCDRN COC/C(C)=C\CN(C)c1ccc(OC)cc1OC ZINC000930082429 649180102 /nfs/dbraw/zinc/18/01/02/649180102.db2.gz YBTJXZCUFYGSTB-WQLSENKSSA-N 0 0 265.353 2.733 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2ncccn2)c1 ZINC000930215617 649207922 /nfs/dbraw/zinc/20/79/22/649207922.db2.gz VSJKBJBSRNVRNN-WDEREUQCSA-N 0 0 273.336 2.603 20 10 CFCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](CC)CO ZINC000930350696 649235850 /nfs/dbraw/zinc/23/58/50/649235850.db2.gz JDPMVZXXXDOIBX-AWEZNQCLSA-N 0 0 251.370 2.765 20 10 CFCDRN CC[C@@H](C)[C@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000931554028 649453948 /nfs/dbraw/zinc/45/39/48/649453948.db2.gz KFHWQSOZKXTCAH-GYSYKLTISA-N 0 0 265.353 2.631 20 10 CFCDRN CCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)nc1 ZINC000932428621 649598181 /nfs/dbraw/zinc/59/81/81/649598181.db2.gz VZSPYELIUZHLBL-UHFFFAOYSA-N 0 0 283.331 2.897 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)C[C@H](C)O2 ZINC000934065182 649743699 /nfs/dbraw/zinc/74/36/99/649743699.db2.gz NHCKWSLHOMOWLM-VGVVRCBHSA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000098074500 651066946 /nfs/dbraw/zinc/06/69/46/651066946.db2.gz HEPIMMPPOIIQKD-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN C[N@H+](CCF)Cc1cc(F)cc(Br)c1[O-] ZINC001235308269 778452859 /nfs/dbraw/zinc/45/28/59/778452859.db2.gz OOHHPERWSSLGIF-UHFFFAOYSA-N 0 0 280.112 2.695 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001237807546 779718791 /nfs/dbraw/zinc/71/87/91/779718791.db2.gz LONLGTRAKDUIID-XPTSAGLGSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2c(C)ccc(F)c2N)c1 ZINC001167293470 770226974 /nfs/dbraw/zinc/22/69/74/770226974.db2.gz FJUKMAZWIXPVCJ-UHFFFAOYSA-N 0 0 288.322 2.660 20 10 CFCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccncn1 ZINC001211024556 770415043 /nfs/dbraw/zinc/41/50/43/770415043.db2.gz WZQKHJCQRLSCBG-XJCAUCFOSA-N 0 0 291.318 2.744 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2ccccc21 ZINC000588404303 770531751 /nfs/dbraw/zinc/53/17/51/770531751.db2.gz IVIACWYRQXYOPZ-VURMDHGXSA-N 0 0 297.310 2.537 20 10 CFCDRN Cc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403613 770532058 /nfs/dbraw/zinc/53/20/58/770532058.db2.gz RDBQZHHFICLGGL-VURMDHGXSA-N 0 0 283.327 2.736 20 10 CFCDRN Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC000588403721 770532352 /nfs/dbraw/zinc/53/23/52/770532352.db2.gz YLEWWIZQKKSTID-YVMONPNESA-N 0 0 287.315 2.671 20 10 CFCDRN Cc1csc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588406386 770537196 /nfs/dbraw/zinc/53/71/96/770537196.db2.gz HWOXAPSDIRYOOO-XQRVVYSFSA-N 0 0 290.344 2.539 20 10 CFCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(O)c1 ZINC000588408357 770549070 /nfs/dbraw/zinc/54/90/70/770549070.db2.gz UHTRARHKNJCZCZ-BPOWMSRESA-N 0 0 299.326 2.694 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000723959998 770721956 /nfs/dbraw/zinc/72/19/56/770721956.db2.gz VGCFPUDKKGZHNJ-HZMBPMFUSA-N 0 0 285.334 2.965 20 10 CFCDRN COc1ccc(CO)cc1N(C)c1ccc(N)cc1 ZINC001211531016 770796199 /nfs/dbraw/zinc/79/61/99/770796199.db2.gz MHYBWXMETOLEEJ-UHFFFAOYSA-N 0 0 258.321 2.538 20 10 CFCDRN C/C(=C\c1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000588509188 770898761 /nfs/dbraw/zinc/89/87/61/770898761.db2.gz ZBXXUMZMJWMGMA-WYMLVPIESA-N 0 0 281.359 2.874 20 10 CFCDRN Cn1ccc(NCc2cc(Br)ccc2O)n1 ZINC000151296449 775379977 /nfs/dbraw/zinc/37/99/77/775379977.db2.gz DPIVLZJZQAMQSV-UHFFFAOYSA-N 0 0 282.141 2.500 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000293660647 775694594 /nfs/dbraw/zinc/69/45/94/775694594.db2.gz PMRLAYZYRHKUNX-RYUDHWBXSA-N 0 0 273.735 2.578 20 10 CFCDRN CC(C)OCCCN(C)C(=O)Nc1ccc(N)cc1 ZINC000394733650 775729498 /nfs/dbraw/zinc/72/94/98/775729498.db2.gz IEHXFENNYSHECJ-UHFFFAOYSA-N 0 0 265.357 2.548 20 10 CFCDRN CCC[C@H]1CCCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226466628 775834712 /nfs/dbraw/zinc/83/47/12/775834712.db2.gz BSZGFFWMYZFJMP-DTWKUNHWSA-N 0 0 298.335 2.952 20 10 CFCDRN CC(C)=CCC[C@@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468425 775835317 /nfs/dbraw/zinc/83/53/17/775835317.db2.gz NODYBYBDRSTHNH-MRVPVSSYSA-N 0 0 284.308 2.728 20 10 CFCDRN CCCC[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465604 775835362 /nfs/dbraw/zinc/83/53/62/775835362.db2.gz UDKPJKMQSFXYCI-ZETCQYMHSA-N 0 0 272.297 2.562 20 10 CFCDRN O=C1C[C@H](OC2=CC(=O)C=CC2=NNc2ccccn2)CO1 ZINC001227487951 776215117 /nfs/dbraw/zinc/21/51/17/776215117.db2.gz BMUGJRVCGGOJGB-SHYALIGYSA-N 0 0 299.286 2.897 20 10 CFCDRN CO[C@H](C)CO[C@H](C)COc1ccc(N(C)C)cc1 ZINC001227940044 776335450 /nfs/dbraw/zinc/33/54/50/776335450.db2.gz GEXVHLXFFORBTA-CHWSQXEVSA-N 0 0 267.369 2.571 20 10 CFCDRN CCCCOC(=O)[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939111 776335272 /nfs/dbraw/zinc/33/52/72/776335272.db2.gz LXFWIQFFVPBBMG-GFCCVEGCSA-N 0 0 265.353 2.863 20 10 CFCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC1CC1 ZINC001227941849 776336692 /nfs/dbraw/zinc/33/66/92/776336692.db2.gz YHHKSYVFXMGXAE-UHFFFAOYSA-N 0 0 270.284 2.870 20 10 CFCDRN O=C1CC(Oc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001228080853 776388260 /nfs/dbraw/zinc/38/82/60/776388260.db2.gz VTQLDQZIGIHUFY-UHFFFAOYSA-N 0 0 292.290 2.572 20 10 CFCDRN CC(=O)N1CCN(c2ccc(O[C@@H](C)C3CC3)cc2)CC1 ZINC001228204236 776421519 /nfs/dbraw/zinc/42/15/19/776421519.db2.gz IVMVGFHAAJOUDW-ZDUSSCGKSA-N 0 0 288.391 2.532 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722318287 776448601 /nfs/dbraw/zinc/44/86/01/776448601.db2.gz CNYIJYHVUHZOED-JSGCOSHPSA-N 0 0 283.318 2.718 20 10 CFCDRN C[N@H+](Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1F ZINC001231460973 777225859 /nfs/dbraw/zinc/22/58/59/777225859.db2.gz RVBDMWQZVQQSHE-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN CCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231560276 777259241 /nfs/dbraw/zinc/25/92/41/777259241.db2.gz FAJQKIWLTVWGPV-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CC(F)(F)C1 ZINC001231563517 777260693 /nfs/dbraw/zinc/26/06/93/777260693.db2.gz BZNHTVMZUQQKKC-UHFFFAOYSA-N 0 0 285.290 2.568 20 10 CFCDRN Cc1nc(CN(C)Cc2c(O)ccc3ccccc32)no1 ZINC001231587259 777268549 /nfs/dbraw/zinc/26/85/49/777268549.db2.gz SBAGEDYPTXNKSJ-UHFFFAOYSA-N 0 0 283.331 2.869 20 10 CFCDRN OCCN(Cc1c(O)ccc2ccccc21)CC(F)(F)F ZINC001231590556 777271380 /nfs/dbraw/zinc/27/13/80/777271380.db2.gz HFYURFRDJSCWOX-UHFFFAOYSA-N 0 0 299.292 2.902 20 10 CFCDRN CCN(CC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC001231593915 777273967 /nfs/dbraw/zinc/27/39/67/777273967.db2.gz OHXOOMZHRMDTRW-UHFFFAOYSA-N 0 0 279.380 2.864 20 10 CFCDRN COc1cc(C[N@@H+]2CCc3ccc(C)cc3C2)c(O)cc1O ZINC001231635055 777286780 /nfs/dbraw/zinc/28/67/80/777286780.db2.gz UQNORYYEICABJI-UHFFFAOYSA-N 0 0 299.370 2.973 20 10 CFCDRN Cc1cc(C)c(CN2CC(F)(F)CC[C@@H]2CO)c(O)c1 ZINC001231842596 777346488 /nfs/dbraw/zinc/34/64/88/777346488.db2.gz OZFWCANLDPQWJY-GFCCVEGCSA-N 0 0 285.334 2.601 20 10 CFCDRN Cc1cc(C)c(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001231847365 777349194 /nfs/dbraw/zinc/34/91/94/777349194.db2.gz XYBLGVMLQVTPOU-UHFFFAOYSA-N 0 0 292.398 2.627 20 10 CFCDRN C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231879640 777362689 /nfs/dbraw/zinc/36/26/89/777362689.db2.gz LQLGAQVIGSAFQD-WFASDCNBSA-N 0 0 271.360 2.748 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC001231909350 777377760 /nfs/dbraw/zinc/37/77/60/777377760.db2.gz KAQFBPWIXWFQPP-GXFFZTMASA-N 0 0 269.772 2.638 20 10 CFCDRN CN1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231914188 777383011 /nfs/dbraw/zinc/38/30/11/777383011.db2.gz HKNYPOYMJXEZEC-RISCZKNCSA-N 0 0 280.799 2.572 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@]1(C)O ZINC001232259465 777496121 /nfs/dbraw/zinc/49/61/21/777496121.db2.gz JGQZWEZFABYWOM-ZUZCIYMTSA-N 0 0 299.798 2.734 20 10 CFCDRN CN(Cc1cc(Cl)c(O)cc1O)CC(F)(F)F ZINC001232258628 777496575 /nfs/dbraw/zinc/49/65/75/777496575.db2.gz 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/nfs/dbraw/zinc/76/39/73/777763973.db2.gz XIGPXBBMQNVYRE-UHFFFAOYSA-N 0 0 271.316 2.628 20 10 CFCDRN Oc1cc(CN2CCC[C@H]2c2ccccn2)cc(O)c1O ZINC001233013777 777764831 /nfs/dbraw/zinc/76/48/31/777764831.db2.gz UCUZRQNSCMXPNE-ZDUSSCGKSA-N 0 0 286.331 2.536 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCc3cccc(O)c3C2)ccc(F)c1F ZINC001233078891 777788598 /nfs/dbraw/zinc/78/85/98/777788598.db2.gz NFCGPOKPMNDESL-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN CCOC(=O)C1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286231 777867056 /nfs/dbraw/zinc/86/70/56/777867056.db2.gz LDUQZFWTMAEGPT-UHFFFAOYSA-N 0 0 291.391 2.685 20 10 CFCDRN COC1(C)CN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233284500 777867074 /nfs/dbraw/zinc/86/70/74/777867074.db2.gz XSXUQZXNJKIGQK-UHFFFAOYSA-N 0 0 263.381 2.910 20 10 CFCDRN COc1cc(Cl)cc(CN2CC3(C2)CCCCO3)c1O ZINC001233287701 777867358 /nfs/dbraw/zinc/86/73/58/777867358.db2.gz DBQXSVGWNXGGJI-UHFFFAOYSA-N 0 0 297.782 2.809 20 10 CFCDRN COc1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001233287971 777870882 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285.746 2.986 20 10 CFCDRN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@@H]21 ZINC001237940210 779211130 /nfs/dbraw/zinc/21/11/30/779211130.db2.gz IUXFHLOODCKWGI-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1ncc2n1CCN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237934702 779211535 /nfs/dbraw/zinc/21/15/35/779211535.db2.gz NEXMBRUCQCPOPZ-UHFFFAOYSA-N 0 0 295.745 2.705 20 10 CFCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950712 779216371 /nfs/dbraw/zinc/21/63/71/779216371.db2.gz ZKRAJXFHPOODTK-PSASIEDQSA-N 0 0 273.735 2.530 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1O ZINC001238057707 779241459 /nfs/dbraw/zinc/24/14/59/779241459.db2.gz LKPAVUYSMSNARK-HNNXBMFYSA-N 0 0 267.344 2.577 20 10 CFCDRN Cc1cc(F)cc(CN2CCc3cccnc3C2)c1O ZINC001238068664 779245890 /nfs/dbraw/zinc/24/58/90/779245890.db2.gz FFQZECFSMDNEEI-UHFFFAOYSA-N 0 0 272.323 2.793 20 10 CFCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cnoc2)nn1 ZINC001239171254 779465796 /nfs/dbraw/zinc/46/57/96/779465796.db2.gz HPTOITOXZKWUKT-UHFFFAOYSA-N 0 0 291.314 2.994 20 10 CFCDRN CN(Cc1ccc(C(F)(F)F)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122202 779479338 /nfs/dbraw/zinc/47/93/38/779479338.db2.gz MYVUNXJSCKGUML-LBPRGKRZSA-N 0 0 288.313 2.595 20 10 CFCDRN Nc1ccc(CCNC(=S)NCC2CCCCC2)cc1 ZINC001239398520 779546079 /nfs/dbraw/zinc/54/60/79/779546079.db2.gz UNWHROHNTPNYKR-UHFFFAOYSA-N 0 0 291.464 2.856 20 10 CFCDRN CNc1ccc(-c2nccc3c2ccn3C)c(F)n1 ZINC001239399763 779546112 /nfs/dbraw/zinc/54/61/12/779546112.db2.gz ARYVLTQPHWFIQB-UHFFFAOYSA-N 0 0 256.284 2.816 20 10 CFCDRN COc1ncc(-c2ccnc3c2ccn3C)cc1F ZINC001239518746 779602996 /nfs/dbraw/zinc/60/29/96/779602996.db2.gz RZLXXSDINOFNQM-UHFFFAOYSA-N 0 0 257.268 2.783 20 10 CFCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ccccc1OC ZINC001124958223 779744053 /nfs/dbraw/zinc/74/40/53/779744053.db2.gz JBHZZKPPWOBODT-QBFSEMIESA-N 0 0 297.358 2.942 20 10 CFCDRN CCc1nc(OC)ccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001239779363 779768002 /nfs/dbraw/zinc/76/80/02/779768002.db2.gz ONDAVULIMGWUNO-UHFFFAOYSA-N 0 0 284.359 2.891 20 10 CFCDRN COc1ncccc1-c1ccn(CC(C)C)c(=O)c1 ZINC001239859312 779827920 /nfs/dbraw/zinc/82/79/20/779827920.db2.gz MCDMWUACDUDNBN-UHFFFAOYSA-N 0 0 258.321 2.575 20 10 CFCDRN C[C@H]1OCC[N@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000765101169 779878985 /nfs/dbraw/zinc/87/89/85/779878985.db2.gz WTSWZBHAAXMZII-VXGBXAGGSA-N 0 0 272.348 2.550 20 10 CFCDRN Cc1cc(/C=C/C(C)(C)O)ccc1N1CCOCC1 ZINC001239157219 779899161 /nfs/dbraw/zinc/89/91/61/779899161.db2.gz WZJGPFXZHWQLFG-VOTSOKGWSA-N 0 0 261.365 2.616 20 10 CFCDRN Cc1cc(F)c(F)cc1-c1noc(-c2csnn2)n1 ZINC001212361676 779993098 /nfs/dbraw/zinc/99/30/98/779993098.db2.gz ABLWTGYNVBLSRH-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN COc1cc(-c2noc(-c3csnn3)n2)ccc1Cl ZINC001212361726 779993244 /nfs/dbraw/zinc/99/32/44/779993244.db2.gz CLWPVZFYFZFFIC-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN Clc1cccc(-c2noc(-c3csnn3)n2)c1 ZINC001212362168 779994518 /nfs/dbraw/zinc/99/45/18/779994518.db2.gz PKMLHJYELGYUBD-UHFFFAOYSA-N 0 0 264.697 2.909 20 10 CFCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c(F)c1 ZINC001212362405 779994870 /nfs/dbraw/zinc/99/48/70/779994870.db2.gz ROQUHVHJJFSQNL-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN c1snnc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001212364084 779998204 /nfs/dbraw/zinc/99/82/04/779998204.db2.gz CIAADRUSBCILQJ-UHFFFAOYSA-N 0 0 271.305 2.528 20 10 CFCDRN Oc1cc(Cl)ccc1Nc1c(F)cncc1F ZINC001214399946 780016198 /nfs/dbraw/zinc/01/61/98/780016198.db2.gz JIGBEGUXNWDVSO-UHFFFAOYSA-N 0 0 256.639 2.884 20 10 CFCDRN O=c1cc(-c2cncc(F)c2)ccn1CC(F)(F)F ZINC001240236643 780018898 /nfs/dbraw/zinc/01/88/98/780018898.db2.gz LHDHUDPVEOHPFA-UHFFFAOYSA-N 0 0 272.201 2.612 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnc2[nH]ccc2c1 ZINC001240389889 780130973 /nfs/dbraw/zinc/13/09/73/780130973.db2.gz YMHYOZVJQJOOJP-UHFFFAOYSA-N 0 0 293.330 2.573 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCCC12OCCO2 ZINC000715679148 780206569 /nfs/dbraw/zinc/20/65/69/780206569.db2.gz UDHIUTXIKQHLOT-CYBMUJFWSA-N 0 0 297.782 2.821 20 10 CFCDRN CN(C)c1cnc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240570661 780263643 /nfs/dbraw/zinc/26/36/43/780263643.db2.gz AZBOMEBEBVJYHY-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Cn1ccc2ccc(-c3cnc4c(c3)CN(C)C4=O)cc21 ZINC001240573470 780266070 /nfs/dbraw/zinc/26/60/70/780266070.db2.gz CXHIMHQEZLYEJN-UHFFFAOYSA-N 0 0 277.327 2.826 20 10 CFCDRN Cn1ccc2ccc(-c3c[nH]c4cc(=O)[nH]c-4c3)cc21 ZINC001240574425 780266128 /nfs/dbraw/zinc/26/61/28/780266128.db2.gz KWDNYEBPUFHWBO-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN c1cc(-c2ccc(N3CCCC3)cc2)c2c(n1)NCC2 ZINC001240592469 780276814 /nfs/dbraw/zinc/27/68/14/780276814.db2.gz IZRXBWYDRGMUGB-UHFFFAOYSA-N 0 0 265.360 2.960 20 10 CFCDRN COc1cc(-c2cnc3ccn(C)c3c2)cnc1OC ZINC001240623654 780302176 /nfs/dbraw/zinc/30/21/76/780302176.db2.gz YSJYUIMDJRQKDH-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCOCC1 ZINC000383661508 780305743 /nfs/dbraw/zinc/30/57/43/780305743.db2.gz LTPMDBFLPNQNOW-LBPRGKRZSA-N 0 0 255.745 2.704 20 10 CFCDRN CCn1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001240652756 780328642 /nfs/dbraw/zinc/32/86/42/780328642.db2.gz VMWQVBHGKIJIRY-UHFFFAOYSA-N 0 0 279.343 2.780 20 10 CFCDRN CCO[C@H](C)n1cc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001240758787 780421814 /nfs/dbraw/zinc/42/18/14/780421814.db2.gz JLNSMRSFNRBLRT-CYBMUJFWSA-N 0 0 289.379 2.923 20 10 CFCDRN Cn1ccc(-c2cccc3[nH]c(C(F)(F)F)nc32)cc1=O ZINC001240997545 780581491 /nfs/dbraw/zinc/58/14/91/780581491.db2.gz CAJNGROFJBZGHN-UHFFFAOYSA-N 0 0 293.248 2.947 20 10 CFCDRN Cc1nc(OCC(C)C)ccc1-c1ccn(C)c(=O)c1 ZINC001240997557 780581671 /nfs/dbraw/zinc/58/16/71/780581671.db2.gz CGTIAIOOBAOOBP-UHFFFAOYSA-N 0 0 272.348 2.791 20 10 CFCDRN O=c1[nH]cccc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001241105942 780638699 /nfs/dbraw/zinc/63/86/99/780638699.db2.gz BIWWFPJRPBOKHK-UHFFFAOYSA-N 0 0 290.326 2.938 20 10 CFCDRN O=C(CSc1ccc(F)cc1)NCc1ccccc1O ZINC000701129409 780765493 /nfs/dbraw/zinc/76/54/93/780765493.db2.gz MENQQDJFKMNLNF-UHFFFAOYSA-N 0 0 291.347 2.940 20 10 CFCDRN Fc1nc2[nH]cnc2c(C2=CCN(c3ccccc3)CC2)n1 ZINC001241337768 780793245 /nfs/dbraw/zinc/79/32/45/780793245.db2.gz GSFAUMRFOPVOOT-UHFFFAOYSA-N 0 0 295.321 2.737 20 10 CFCDRN CN(C)c1cnc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241347369 780801479 /nfs/dbraw/zinc/80/14/79/780801479.db2.gz RYQNTMSAVQKNIK-UHFFFAOYSA-N 0 0 280.375 2.836 20 10 CFCDRN COc1ncc(C)cc1-c1cc(=O)n(C)c2ccccc12 ZINC001241367673 780820689 /nfs/dbraw/zinc/82/06/89/780820689.db2.gz SJGIVQWVNIIRGN-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN CCCCc1noc(CN(C)c2ccc(N)cc2)n1 ZINC000702092423 780879198 /nfs/dbraw/zinc/87/91/98/780879198.db2.gz HKWXBJLFROXZPN-UHFFFAOYSA-N 0 0 260.341 2.631 20 10 CFCDRN [O-]c1cccc(F)c1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001137833051 780925987 /nfs/dbraw/zinc/92/59/87/780925987.db2.gz QRSGOGULGDIYRJ-LBPRGKRZSA-N 0 0 279.355 2.516 20 10 CFCDRN [O-]c1c(C[NH2+]CCC[C@H]2CCOC2)ccc(F)c1F ZINC000703229031 780999484 /nfs/dbraw/zinc/99/94/84/780999484.db2.gz GAZQCHRMVFIGGB-JTQLQIEISA-N 0 0 271.307 2.577 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)ccc(F)c1F ZINC000703230200 780999642 /nfs/dbraw/zinc/99/96/42/780999642.db2.gz POGXSYANPBWMDZ-FBIMIBRVSA-N 0 0 253.292 2.949 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CS1 ZINC000703284161 781002097 /nfs/dbraw/zinc/00/20/97/781002097.db2.gz CGTWNNZZXHPTBT-VXNVDRBHSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H]2CCCCO2)ccc(F)c1F ZINC000703348271 781008366 /nfs/dbraw/zinc/00/83/66/781008366.db2.gz NCUCFMKZCGPXKS-LLVKDONJSA-N 0 0 271.307 2.719 20 10 CFCDRN COCCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703362531 781010434 /nfs/dbraw/zinc/01/04/34/781010434.db2.gz ATPFUICZRXILAQ-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN CO[C@@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703375984 781011317 /nfs/dbraw/zinc/01/13/17/781011317.db2.gz AGBLJDVLECWDCD-AWEZNQCLSA-N 0 0 271.307 2.575 20 10 CFCDRN C[N@H+](CCOC(C)(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703501564 781017804 /nfs/dbraw/zinc/01/78/04/781017804.db2.gz KFCLXVQHTSSOIS-UHFFFAOYSA-N 0 0 273.323 2.917 20 10 CFCDRN O=c1cc(-c2cccc3c[nH]nc32)ccn1CC(F)(F)F ZINC001241625836 781028808 /nfs/dbraw/zinc/02/88/08/781028808.db2.gz ZNBZOWJQYKCIRX-UHFFFAOYSA-N 0 0 293.248 2.954 20 10 CFCDRN CN(C)c1cncc(-c2cccc3c2ccn3C)n1 ZINC001241819411 781142772 /nfs/dbraw/zinc/14/27/72/781142772.db2.gz KEFOFLMBJVCEDG-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CNC(=O)c1cc(-c2cccc3c2ccn3C)cnc1F ZINC001241823828 781145753 /nfs/dbraw/zinc/14/57/53/781145753.db2.gz XWLVLNUKAUHPAE-UHFFFAOYSA-N 0 0 283.306 2.739 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708413885 781272913 /nfs/dbraw/zinc/27/29/13/781272913.db2.gz ORJHSVZVOMDABX-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000708415564 781273145 /nfs/dbraw/zinc/27/31/45/781273145.db2.gz YTLRJZSIKLZZGL-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000708412118 781273595 /nfs/dbraw/zinc/27/35/95/781273595.db2.gz GDZKTPAHBHRFMV-LLVKDONJSA-N 0 0 293.260 2.526 20 10 CFCDRN Cc1cnc(C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708467082 781275836 /nfs/dbraw/zinc/27/58/36/781275836.db2.gz LYCSMQKTUIXUBJ-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466132 781276356 /nfs/dbraw/zinc/27/63/56/781276356.db2.gz NLRUWHJQYRPWJW-RDDDGLTNSA-N 0 0 259.321 2.512 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000708695541 781277446 /nfs/dbraw/zinc/27/74/46/781277446.db2.gz CAVBILPZOFMRTD-JBLDHEPKSA-N 0 0 253.317 2.607 20 10 CFCDRN CC(C)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000709018447 781286725 /nfs/dbraw/zinc/28/67/25/781286725.db2.gz ASBHWJHTKZITSN-CQSZACIVSA-N 0 0 269.772 2.902 20 10 CFCDRN CCC[C@@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOC1 ZINC000708497735 781291628 /nfs/dbraw/zinc/29/16/28/781291628.db2.gz UHSAMXHPWQYBKR-CQSZACIVSA-N 0 0 271.307 2.719 20 10 CFCDRN CC(C)(CCCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535665 781292581 /nfs/dbraw/zinc/29/25/81/781292581.db2.gz OULWOROHYFCIHE-UHFFFAOYSA-N 0 0 273.323 2.559 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cncc(C2CC2)c1 ZINC001242192657 781319781 /nfs/dbraw/zinc/31/97/81/781319781.db2.gz LSBHWAQZEQMAAH-UHFFFAOYSA-N 0 0 250.305 2.908 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccns1)c1ccc(F)cc1[O-] ZINC000710025138 781326685 /nfs/dbraw/zinc/32/66/85/781326685.db2.gz DMHOIHWSEZEEAE-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H](CF)C2)ccc(F)c1F ZINC000711497194 781446542 /nfs/dbraw/zinc/44/65/42/781446542.db2.gz KGRJTCVUOSDIFO-SECBINFHSA-N 0 0 259.271 2.852 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnn(C(F)(F)F)c1 ZINC001242464249 781519250 /nfs/dbraw/zinc/51/92/50/781519250.db2.gz DFQKILZNCURQCN-UHFFFAOYSA-N 0 0 266.226 2.913 20 10 CFCDRN Nc1cncc(-c2cc(N3CCc4ccccc43)ncn2)c1 ZINC001242499251 781547112 /nfs/dbraw/zinc/54/71/12/781547112.db2.gz YIOHBBNJYOQBIX-UHFFFAOYSA-N 0 0 289.342 2.815 20 10 CFCDRN COc1ncc(Cl)cc1-c1ncnc2c1ccn2C ZINC001242506117 781553595 /nfs/dbraw/zinc/55/35/95/781553595.db2.gz WHVLDWGHBSQXRH-UHFFFAOYSA-N 0 0 274.711 2.692 20 10 CFCDRN C/C(=C\C=C\N)c1ccc(N2CCOCC2)c(F)c1 ZINC001242901245 781831506 /nfs/dbraw/zinc/83/15/06/781831506.db2.gz BKIIDSFMFHKHQA-NXADRHRGSA-N 0 0 262.328 2.538 20 10 CFCDRN COc1ccc(-c2ccn(CC(C)C)c(=O)c2)c(C)n1 ZINC001242929985 781852191 /nfs/dbraw/zinc/85/21/91/781852191.db2.gz XCSLWELJZIPNGX-UHFFFAOYSA-N 0 0 272.348 2.883 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnn3ccccc23)nn1 ZINC001242963182 781882070 /nfs/dbraw/zinc/88/20/70/781882070.db2.gz BCIFXGXRRRXTDR-UHFFFAOYSA-N 0 0 290.330 2.500 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C)n1 ZINC000069714238 346899149 /nfs/dbraw/zinc/89/91/49/346899149.db2.gz JFRVIWOKWNEUBZ-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC2)cc1 ZINC000070692928 346912244 /nfs/dbraw/zinc/91/22/44/346912244.db2.gz NCCCEVCBHVQIOH-UHFFFAOYSA-N 0 0 254.333 2.940 20 10 CFCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1 ZINC000024054585 346253878 /nfs/dbraw/zinc/25/38/78/346253878.db2.gz GUOQTPUOHLDAOH-UHFFFAOYSA-N 0 0 299.374 2.936 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(CCO)cc2)cc1 ZINC000040737735 346347992 /nfs/dbraw/zinc/34/79/92/346347992.db2.gz JQQJVSGYEQSPNP-UHFFFAOYSA-N 0 0 270.376 2.900 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000047099516 346444805 /nfs/dbraw/zinc/44/48/05/346444805.db2.gz WTADPILUDYBDDW-JSGCOSHPSA-N 0 0 275.396 2.550 20 10 CFCDRN CCCSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000048397447 346472858 /nfs/dbraw/zinc/47/28/58/346472858.db2.gz OFYJPTKCEJZUSF-UHFFFAOYSA-N 0 0 266.410 2.512 20 10 CFCDRN CN(C)c1ccc(CNc2cncc(Cl)n2)cc1 ZINC000054551917 346572988 /nfs/dbraw/zinc/57/29/88/346572988.db2.gz RRBXQWDPCHHTNX-UHFFFAOYSA-N 0 0 262.744 2.808 20 10 CFCDRN CC[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055878098 346598205 /nfs/dbraw/zinc/59/82/05/346598205.db2.gz QTTZBRXOQREXNR-AWEZNQCLSA-N 0 0 290.407 2.780 20 10 CFCDRN Oc1ccc2c(c1CNc1ncccn1)CCCC2 ZINC000078463931 347254656 /nfs/dbraw/zinc/25/46/56/347254656.db2.gz HKXCUHZJUSQELH-UHFFFAOYSA-N 0 0 255.321 2.673 20 10 CFCDRN CC(C)Nc1ccc(C(=O)NCc2ccccc2O)cn1 ZINC000084387757 347462504 /nfs/dbraw/zinc/46/25/04/347462504.db2.gz JCABOBOALDYHTQ-UHFFFAOYSA-N 0 0 285.347 2.538 20 10 CFCDRN Cc1ccc([N+](=O)[O-])c(NCCc2ccc(O)c(O)c2)c1 ZINC000088727360 347508675 /nfs/dbraw/zinc/50/86/75/347508675.db2.gz YZCWAGXTRPTWDH-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN Cc1nc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000089635733 347524045 /nfs/dbraw/zinc/52/40/45/347524045.db2.gz OPAOTWUVVLSIQY-UHFFFAOYSA-N 0 0 273.292 2.640 20 10 CFCDRN Cc1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)ncn1 ZINC000092925978 347651787 /nfs/dbraw/zinc/65/17/87/347651787.db2.gz MOEMPTGNMLXULG-HNNXBMFYSA-N 0 0 299.374 2.676 20 10 CFCDRN Cc1cnn(C2CN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000361255381 348506840 /nfs/dbraw/zinc/50/68/40/348506840.db2.gz NXGBMXOWEHIBIZ-UHFFFAOYSA-N 0 0 277.755 2.607 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)c1cccnc1 ZINC000295891237 199707292 /nfs/dbraw/zinc/70/72/92/199707292.db2.gz BQPWDEHZBVHTHQ-SFHVURJKSA-N 0 0 298.386 2.967 20 10 CFCDRN CCCN(CC)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000289483152 283179564 /nfs/dbraw/zinc/17/95/64/283179564.db2.gz FMEYSRLDTQAYBM-GFCCVEGCSA-N 0 0 295.383 2.510 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294500209 199063005 /nfs/dbraw/zinc/06/30/05/199063005.db2.gz BMHXLKFWBFJJKZ-PBKGFPTLSA-N 0 0 273.735 2.601 20 10 CFCDRN COCC1=CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294834780 199204623 /nfs/dbraw/zinc/20/46/23/199204623.db2.gz YSSZFZVMEVNVAI-UHFFFAOYSA-N 0 0 285.746 2.963 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276863533 299307030 /nfs/dbraw/zinc/30/70/30/299307030.db2.gz CYPGRWSNRQYYNQ-UWVGGRQHSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000186562863 299349338 /nfs/dbraw/zinc/34/93/38/299349338.db2.gz GQBHWWOCHVBZQS-GWCFXTLKSA-N 0 0 279.311 2.899 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191195598 296125194 /nfs/dbraw/zinc/12/51/94/296125194.db2.gz BNTFLZJNODNTAK-LLVKDONJSA-N 0 0 284.350 2.807 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280865293 296159568 /nfs/dbraw/zinc/15/95/68/296159568.db2.gz CKWGSPNVLDVSGL-PWSUYJOCSA-N 0 0 294.351 2.502 20 10 CFCDRN COc1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000019877551 372202218 /nfs/dbraw/zinc/20/22/18/372202218.db2.gz WDKUSTSKLYNEGP-UHFFFAOYSA-N 0 0 257.337 2.768 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000037323495 372663519 /nfs/dbraw/zinc/66/35/19/372663519.db2.gz VFBAMTPUIHBTBJ-ZJUUUORDSA-N 0 0 297.782 2.857 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)C2CCC2)cc1F ZINC000073915507 374396523 /nfs/dbraw/zinc/39/65/23/374396523.db2.gz IAKBPSARYPJHPK-UHFFFAOYSA-N 0 0 279.359 2.586 20 10 CFCDRN CCc1onc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000089443347 374907345 /nfs/dbraw/zinc/90/73/45/374907345.db2.gz BFDVJYYSTDAAEZ-UHFFFAOYSA-N 0 0 289.335 2.915 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncs2)nc1 ZINC000493648212 246654792 /nfs/dbraw/zinc/65/47/92/246654792.db2.gz RQUYYLJDCZYCGW-GQCTYLIASA-N 0 0 259.334 2.523 20 10 CFCDRN CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccccc1 ZINC000110038100 375825995 /nfs/dbraw/zinc/82/59/95/375825995.db2.gz RVFCNTXQDRUYPZ-UHFFFAOYSA-N 0 0 278.315 2.748 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1COc2ccccc21 ZINC000118775228 376314328 /nfs/dbraw/zinc/31/43/28/376314328.db2.gz XAWOBMGZUQCPEI-CQSZACIVSA-N 0 0 283.327 2.527 20 10 CFCDRN CC1(C)COCCN1Cc1cccc(Cl)c1[O-] ZINC000124565376 377063287 /nfs/dbraw/zinc/06/32/87/377063287.db2.gz YSQYQQZXEKRMBV-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCO1 ZINC000124705150 377079932 /nfs/dbraw/zinc/07/99/32/377079932.db2.gz JNCPMDWXLOOIHV-BXKDBHETSA-N 0 0 255.745 2.703 20 10 CFCDRN COCc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000126291151 377221669 /nfs/dbraw/zinc/22/16/69/377221669.db2.gz ZWWXPFQXKYPQJC-UHFFFAOYSA-N 0 0 292.354 2.921 20 10 CFCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1cccs1 ZINC000126489173 377230201 /nfs/dbraw/zinc/23/02/01/377230201.db2.gz PRHACPDUAZIFDH-UHFFFAOYSA-N 0 0 291.372 2.867 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H](C)O)cc1 ZINC000125921287 377202486 /nfs/dbraw/zinc/20/24/86/377202486.db2.gz XMLCZSGZXFTUBA-AWEZNQCLSA-N 0 0 286.375 2.547 20 10 CFCDRN CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000129465512 377432025 /nfs/dbraw/zinc/43/20/25/377432025.db2.gz BJGNJAHHGDZITP-NSHDSACASA-N 0 0 299.374 2.587 20 10 CFCDRN CCCc1noc(CN(C)c2ccc(OC)cc2OC)n1 ZINC000131648296 377741560 /nfs/dbraw/zinc/74/15/60/377741560.db2.gz BKUKYALGERTWGF-UHFFFAOYSA-N 0 0 291.351 2.676 20 10 CFCDRN CCCOc1ccc(C[N@H+](C)C[C@@H]2CCCO2)c(O)c1 ZINC000132968668 377890988 /nfs/dbraw/zinc/89/09/88/377890988.db2.gz IHTZVWZDRMDWAH-HNNXBMFYSA-N 0 0 279.380 2.792 20 10 CFCDRN CC[C@H](SC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000151791150 378358452 /nfs/dbraw/zinc/35/84/52/378358452.db2.gz DRXOFXDKEFUFFK-AWEZNQCLSA-N 0 0 294.420 2.620 20 10 CFCDRN CCCC1(CNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000154168599 378544838 /nfs/dbraw/zinc/54/48/38/378544838.db2.gz XOEZCQNJGCNPNI-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1ccc(N(C)Cc2cscn2)cc1F ZINC000177268779 380323608 /nfs/dbraw/zinc/32/36/08/380323608.db2.gz AIKNHVFLOPQLCS-UHFFFAOYSA-N 0 0 252.314 2.927 20 10 CFCDRN CC[C@H](C)NC(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000177072154 380300265 /nfs/dbraw/zinc/30/02/65/380300265.db2.gz INPOZEBAUJQRQZ-JTQLQIEISA-N 0 0 284.787 2.700 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)no2)c(OC)c1 ZINC000179008223 380500945 /nfs/dbraw/zinc/50/09/45/380500945.db2.gz OIXVMWYYFRJEGU-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c(O)c1O ZINC000179460558 380546571 /nfs/dbraw/zinc/54/65/71/380546571.db2.gz UQPWROMJPUZWNP-LLVKDONJSA-N 0 0 286.331 2.634 20 10 CFCDRN COc1cccc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000179567497 380558370 /nfs/dbraw/zinc/55/83/70/380558370.db2.gz OZIHDYRANKBWKQ-LBPRGKRZSA-N 0 0 272.348 2.779 20 10 CFCDRN COC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180199260 380631864 /nfs/dbraw/zinc/63/18/64/380631864.db2.gz NLVXRQBHOUGLSL-LLVKDONJSA-N 0 0 269.772 2.904 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000180302691 380643405 /nfs/dbraw/zinc/64/34/05/380643405.db2.gz PXLAWHBDZZOBMB-BVUQATHDSA-N 0 0 281.783 2.638 20 10 CFCDRN Oc1ccc(F)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000180020370 380611806 /nfs/dbraw/zinc/61/18/06/380611806.db2.gz AWIKFWLJRKZIBU-CYBMUJFWSA-N 0 0 275.327 2.982 20 10 CFCDRN CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180648127 380686341 /nfs/dbraw/zinc/68/63/41/380686341.db2.gz GZTAETDPOALQAG-WAFBPQNNSA-N 0 0 275.348 2.760 20 10 CFCDRN C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180712460 380693672 /nfs/dbraw/zinc/69/36/72/380693672.db2.gz PDWBIDLQDXNSFL-DKSFEKEHSA-N 0 0 287.359 2.901 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccn1 ZINC000181220962 380759768 /nfs/dbraw/zinc/75/97/68/380759768.db2.gz IIZQVWHVOCUPSE-UHFFFAOYSA-N 0 0 298.346 2.579 20 10 CFCDRN COC(=O)CN(CCc1ccccc1)Cc1ccccc1O ZINC000180910357 380711767 /nfs/dbraw/zinc/71/17/67/380711767.db2.gz ZTZMMSVSTRDYQE-UHFFFAOYSA-N 0 0 299.370 2.610 20 10 CFCDRN CCc1nnc(NCc2ccc(N(C)C)cc2)s1 ZINC000181471897 380801086 /nfs/dbraw/zinc/80/10/86/380801086.db2.gz UIDATNPVFNRTOR-UHFFFAOYSA-N 0 0 262.382 2.779 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000287417225 380828622 /nfs/dbraw/zinc/82/86/22/380828622.db2.gz JYQIOQKCMUPRFQ-OSMZGAPFSA-N 0 0 267.344 2.733 20 10 CFCDRN COC(=O)c1cnc(SCCCn2ccnc2C)s1 ZINC000295439407 380855029 /nfs/dbraw/zinc/85/50/29/380855029.db2.gz ZXRZLUFTBYOLAM-UHFFFAOYSA-N 0 0 297.405 2.617 20 10 CFCDRN C[C@H](O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295515198 380909025 /nfs/dbraw/zinc/90/90/25/380909025.db2.gz ZMQHOVXRGXETKA-VIFPVBQESA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1noc(NCc2c(C)c3ccccc3n2C)n1 ZINC000287890445 380965753 /nfs/dbraw/zinc/96/57/53/380965753.db2.gz ZYMATWZGWLTXNF-UHFFFAOYSA-N 0 0 256.309 2.790 20 10 CFCDRN Cc1ccc(O)c(CNCc2nccc(C(F)F)n2)c1 ZINC000288543916 381015666 /nfs/dbraw/zinc/01/56/66/381015666.db2.gz WYHZVSXSSJXZMI-UHFFFAOYSA-N 0 0 279.290 2.718 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(F)F)cc1 ZINC000288613005 381017490 /nfs/dbraw/zinc/01/74/90/381017490.db2.gz QUEQLGRHCMYIBH-UHFFFAOYSA-N 0 0 270.323 2.804 20 10 CFCDRN C[C@H](Sc1nccs1)C(=O)C1CCOCC1 ZINC000295672346 381007929 /nfs/dbraw/zinc/00/79/29/381007929.db2.gz GEBJJHPELMLVIK-QMMMGPOBSA-N 0 0 257.380 2.619 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+]CCN1CCCCCC1)CC2 ZINC000295974704 381193131 /nfs/dbraw/zinc/19/31/31/381193131.db2.gz MWZZODCBEBEDIC-OAHLLOKOSA-N 0 0 274.408 2.845 20 10 CFCDRN CCN(CC)C(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095517 381252453 /nfs/dbraw/zinc/25/24/53/381252453.db2.gz UCVKTKUGYYTNEO-CQSZACIVSA-N 0 0 290.407 2.618 20 10 CFCDRN CCC[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183434458 381271508 /nfs/dbraw/zinc/27/15/08/381271508.db2.gz OIPYHAUVEDBLST-NWDGAFQWSA-N 0 0 279.380 2.971 20 10 CFCDRN CCC(CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183457646 381273323 /nfs/dbraw/zinc/27/33/23/381273323.db2.gz KCMYHEKBPQLXSU-JTQLQIEISA-N 0 0 265.353 2.581 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C=CCC1 ZINC000183483038 381277084 /nfs/dbraw/zinc/27/70/84/381277084.db2.gz UWVAXRMNDQGMRJ-NWDGAFQWSA-N 0 0 275.348 2.501 20 10 CFCDRN COc1ncccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296235692 381313463 /nfs/dbraw/zinc/31/34/63/381313463.db2.gz AOJXFXDRRKZTQU-CQSZACIVSA-N 0 0 284.359 2.615 20 10 CFCDRN Cc1cccc(C[N@H+](C)CCc2ccncc2)c1O ZINC000183757643 381315452 /nfs/dbraw/zinc/31/54/52/381315452.db2.gz KZDDRLSBBJWAKN-UHFFFAOYSA-N 0 0 256.349 2.770 20 10 CFCDRN CN(C)c1ccc(Cn2cnc3c2CCCC3)cc1 ZINC000296534042 381437773 /nfs/dbraw/zinc/43/77/73/381437773.db2.gz BAYUTLZNHKFAEI-UHFFFAOYSA-N 0 0 255.365 2.876 20 10 CFCDRN COCCC(C)(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000184458965 381419523 /nfs/dbraw/zinc/41/95/23/381419523.db2.gz VEGNILOZAYSJOW-UHFFFAOYSA-N 0 0 296.386 2.571 20 10 CFCDRN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(O)c1O ZINC000184774545 381475229 /nfs/dbraw/zinc/47/52/29/381475229.db2.gz UBYYFUPVXLKWRV-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 ZINC000184677249 381458275 /nfs/dbraw/zinc/45/82/75/381458275.db2.gz CQQKLRVMCFMMQH-GFCCVEGCSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(Cl)cc(CN2C[C@@H](C)OC[C@H]2C)c1O ZINC000184680848 381458969 /nfs/dbraw/zinc/45/89/69/381458969.db2.gz AZVVPABJUNCLMA-NXEZZACHSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(Cl)cc(CN2CCOC3(CCC3)C2)c1O ZINC000184698250 381462726 /nfs/dbraw/zinc/46/27/26/381462726.db2.gz MBEHHMCCIRNWQN-UHFFFAOYSA-N 0 0 297.782 2.809 20 10 CFCDRN CCC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000296646181 381486954 /nfs/dbraw/zinc/48/69/54/381486954.db2.gz YLWYYYCZDVTDPG-VIFPVBQESA-N 0 0 250.298 2.894 20 10 CFCDRN CC/C=C/C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296653834 381491136 /nfs/dbraw/zinc/49/11/36/381491136.db2.gz ZCOUSJHXZWIDGA-ORAHPGNNSA-N 0 0 250.298 2.917 20 10 CFCDRN C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185199539 381563385 /nfs/dbraw/zinc/56/33/85/381563385.db2.gz WUCQMGUNZDPOLD-HZMBPMFUSA-N 0 0 269.360 2.979 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CSCC2CC2)cc1 ZINC000298419770 381617368 /nfs/dbraw/zinc/61/73/68/381617368.db2.gz WNFQNCPGLBVADA-UHFFFAOYSA-N 0 0 292.448 2.854 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2ccc[nH]2)C2CC2)cc1 ZINC000298421962 381618723 /nfs/dbraw/zinc/61/87/23/381618723.db2.gz ZPEVKNXMHVBWAW-UHFFFAOYSA-N 0 0 283.375 2.886 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185481897 381646540 /nfs/dbraw/zinc/64/65/40/381646540.db2.gz YPTNUAQXLIKBGK-CMPLNLGQSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@](C)(NC(=O)c1cccc(O)c1O)c1nccs1 ZINC000185708326 381711556 /nfs/dbraw/zinc/71/15/56/381711556.db2.gz LHFVWONGAWVONK-CQSZACIVSA-N 0 0 292.360 2.610 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CC1 ZINC000298566435 381675675 /nfs/dbraw/zinc/67/56/75/381675675.db2.gz KABNATDUZDVJFY-OAHLLOKOSA-N 0 0 277.364 2.556 20 10 CFCDRN CSCCCCCNC(=O)c1ccc(C)c(O)c1O ZINC000186948722 382054505 /nfs/dbraw/zinc/05/45/05/382054505.db2.gz FRFJWZGLVIJHIS-UHFFFAOYSA-N 0 0 283.393 2.669 20 10 CFCDRN COc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000374997518 382063402 /nfs/dbraw/zinc/06/34/02/382063402.db2.gz KBHSDHMLCXCZIT-QGZVFWFLSA-N 0 0 299.370 2.974 20 10 CFCDRN CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(O)c1O ZINC000187113369 382102762 /nfs/dbraw/zinc/10/27/62/382102762.db2.gz XGKINSZXMMCAMI-CYBMUJFWSA-N 0 0 286.331 2.716 20 10 CFCDRN Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000375243348 382073406 /nfs/dbraw/zinc/07/34/06/382073406.db2.gz XIMYGELXAAEYRQ-KRWDZBQOSA-N 0 0 287.334 2.971 20 10 CFCDRN Oc1ccc(F)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375353870 382081012 /nfs/dbraw/zinc/08/10/12/382081012.db2.gz QYNNVCMMIVLMJL-LBPRGKRZSA-N 0 0 261.300 2.592 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCN3C)co1 ZINC000376416579 382134155 /nfs/dbraw/zinc/13/41/55/382134155.db2.gz NXDLBYKKXIMZGI-UHFFFAOYSA-N 0 0 270.332 2.510 20 10 CFCDRN Cn1ncc2c1nccc2N1CC=C(c2cccnc2)CC1 ZINC000376406246 382134421 /nfs/dbraw/zinc/13/44/21/382134421.db2.gz HIIBOJWNNDIWMN-UHFFFAOYSA-N 0 0 291.358 2.657 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293543077 382165583 /nfs/dbraw/zinc/16/55/83/382165583.db2.gz CZNYQLMTKAGTHA-UHFFFAOYSA-N 0 0 297.782 2.775 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c1O ZINC000293637688 382206828 /nfs/dbraw/zinc/20/68/28/382206828.db2.gz KMQNTSNNJVELRD-IINYFYTJSA-N 0 0 297.301 2.524 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1nccc(OC)n1 ZINC000301735943 382190189 /nfs/dbraw/zinc/19/01/89/382190189.db2.gz BBHVBHNTWVLFBJ-UHFFFAOYSA-N 0 0 286.379 2.578 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000377236943 382240292 /nfs/dbraw/zinc/24/02/92/382240292.db2.gz GWXLGRCVXJWKNJ-DZGCQCFKSA-N 0 0 291.391 2.649 20 10 CFCDRN C[C@H]([NH2+]CC1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187684575 382246234 /nfs/dbraw/zinc/24/62/34/382246234.db2.gz JQUJBZAIIUSBBE-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C=CCCC1 ZINC000187717931 382254536 /nfs/dbraw/zinc/25/45/36/382254536.db2.gz PSQVVFIEEFKSEQ-OLZOCXBDSA-N 0 0 289.375 2.891 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]n1 ZINC000187799008 382271013 /nfs/dbraw/zinc/27/10/13/382271013.db2.gz ZAADEQUCFNUQDC-WCBMZHEXSA-N 0 0 295.333 2.984 20 10 CFCDRN CN1CCc2cc(CNC(=O)Cc3cccc(F)c3)ccc21 ZINC000364361956 382315195 /nfs/dbraw/zinc/31/51/95/382315195.db2.gz OQVCPRFGKINGRW-UHFFFAOYSA-N 0 0 298.361 2.677 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@H]2C1 ZINC000365266760 382370631 /nfs/dbraw/zinc/37/06/31/382370631.db2.gz LMBDVRJOLKJHRV-MFKMUULPSA-N 0 0 298.789 2.711 20 10 CFCDRN Oc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294014635 382378444 /nfs/dbraw/zinc/37/84/44/382378444.db2.gz NCLUVZBNPXWKEU-CVEARBPZSA-N 0 0 259.349 2.536 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cn3c(n2)CCCC3)cc1 ZINC000365446357 382395862 /nfs/dbraw/zinc/39/58/62/382395862.db2.gz HQRUGWUYEWRFAQ-UHFFFAOYSA-N 0 0 298.434 2.917 20 10 CFCDRN Cc1ccccc1C1=CCN(C(=O)c2cccc(O)c2O)C1 ZINC000365757229 382438409 /nfs/dbraw/zinc/43/84/09/382438409.db2.gz HWNZVBUTJISTND-UHFFFAOYSA-N 0 0 295.338 2.946 20 10 CFCDRN C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000365554548 382411866 /nfs/dbraw/zinc/41/18/66/382411866.db2.gz DQQNZKWAQSZGMH-BZNIZROVSA-N 0 0 275.348 2.750 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000378499545 382474059 /nfs/dbraw/zinc/47/40/59/382474059.db2.gz UIRRXSDFLAKPSO-DFBGVHRSSA-N 0 0 279.355 2.777 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000378538103 382479581 /nfs/dbraw/zinc/47/95/81/382479581.db2.gz ZZKJCYBEOINOKU-SMDDNHRTSA-N 0 0 280.799 2.572 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)Cc3ccc[nH]3)C2)cc1 ZINC000378552343 382481635 /nfs/dbraw/zinc/48/16/35/382481635.db2.gz LPGMESARXPINBR-UHFFFAOYSA-N 0 0 295.386 2.549 20 10 CFCDRN Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C2 ZINC000378617599 382491498 /nfs/dbraw/zinc/49/14/98/382491498.db2.gz BEPUDEKXRZJMGG-CHWSQXEVSA-N 0 0 271.364 2.563 20 10 CFCDRN Cc1cccc(CNCc2ncc(C(F)(F)F)cn2)c1O ZINC000294697822 382525177 /nfs/dbraw/zinc/52/51/77/382525177.db2.gz BAUALIPMINWONB-UHFFFAOYSA-N 0 0 297.280 2.799 20 10 CFCDRN Cc1cccc(C[NH2+]CCc2ncccc2C)c1O ZINC000295102997 382576581 /nfs/dbraw/zinc/57/65/81/382576581.db2.gz VEKDATNLQQQURR-UHFFFAOYSA-N 0 0 256.349 2.736 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[C@@H]1C ZINC000471672551 383377810 /nfs/dbraw/zinc/37/78/10/383377810.db2.gz ZTEAUQBCHOLDDF-AAEUAGOBSA-N 0 0 285.391 2.942 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252732475 383430832 /nfs/dbraw/zinc/43/08/32/383430832.db2.gz VFLIEFRYUYRTTQ-ZDUSSCGKSA-N 0 0 280.799 2.716 20 10 CFCDRN C[C@H](CC(=O)NCc1ccccc1O)c1ccco1 ZINC000528856043 383663338 /nfs/dbraw/zinc/66/33/38/383663338.db2.gz XGKDMHICTUHPOT-LLVKDONJSA-N 0 0 259.305 2.795 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCSC2)c1[O-] ZINC000266145837 384093814 /nfs/dbraw/zinc/09/38/14/384093814.db2.gz IQNSVXQDDIYSOF-SECBINFHSA-N 0 0 288.756 2.549 20 10 CFCDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2nncn2C)cc1 ZINC000268934500 384695486 /nfs/dbraw/zinc/69/54/86/384695486.db2.gz UEWBIVNULWXZHK-STQMWFEESA-N 0 0 287.411 2.683 20 10 CFCDRN CCN(C)c1ccc([C@H](C)N[C@H](C)c2nncn2C)cc1 ZINC000268934498 384696675 /nfs/dbraw/zinc/69/66/75/384696675.db2.gz UEWBIVNULWXZHK-QWHCGFSZSA-N 0 0 287.411 2.683 20 10 CFCDRN COCc1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000269404860 384755232 /nfs/dbraw/zinc/75/52/32/384755232.db2.gz FGIHGJADMWPIEO-UHFFFAOYSA-N 0 0 273.332 2.997 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn[nH]c1 ZINC000270165791 385000458 /nfs/dbraw/zinc/00/04/58/385000458.db2.gz GPILJTGVQFETGG-SSDOTTSWSA-N 0 0 296.714 2.528 20 10 CFCDRN CC(C)n1ccnc1Sc1ncc([N+](=O)[O-])s1 ZINC000282178733 385237269 /nfs/dbraw/zinc/23/72/69/385237269.db2.gz OLAZZFDMMBCHFK-UHFFFAOYSA-N 0 0 270.339 2.980 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)no1 ZINC000270871730 385254944 /nfs/dbraw/zinc/25/49/44/385254944.db2.gz LSXYFKHMTOJGOQ-UHFFFAOYSA-N 0 0 273.336 2.730 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnccn1 ZINC000282466660 385319019 /nfs/dbraw/zinc/31/90/19/385319019.db2.gz KJYBXSWSHAMQCR-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)OC ZINC000282347462 385288552 /nfs/dbraw/zinc/28/85/52/385288552.db2.gz AGVPAFUZZOLIQO-LBPRGKRZSA-N 0 0 265.353 2.556 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C1CC(=O)C1 ZINC000282522323 385333566 /nfs/dbraw/zinc/33/35/66/385333566.db2.gz POPOOMJAIWFRDP-UHFFFAOYSA-N 0 0 275.348 2.500 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000271209542 385376193 /nfs/dbraw/zinc/37/61/93/385376193.db2.gz XOMWIZZGERBZEH-JSGCOSHPSA-N 0 0 279.380 2.526 20 10 CFCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271209540 385376212 /nfs/dbraw/zinc/37/62/12/385376212.db2.gz XOMWIZZGERBZEH-GXTWGEPZSA-N 0 0 279.380 2.526 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000271819519 385394101 /nfs/dbraw/zinc/39/41/01/385394101.db2.gz MSMFBRBIDMABDS-UMSPYCQHSA-N 0 0 269.772 2.686 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCC[C@@H]1O ZINC000271874446 385395069 /nfs/dbraw/zinc/39/50/69/385395069.db2.gz SSXVDOQBEPBXIG-MFKMUULPSA-N 0 0 269.772 2.638 20 10 CFCDRN COc1ccc(O)c(CN(CC(F)F)C(C)C)c1 ZINC000271875427 385395115 /nfs/dbraw/zinc/39/51/15/385395115.db2.gz SZVNRCYELMRWKT-UHFFFAOYSA-N 0 0 259.296 2.876 20 10 CFCDRN CCOCc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000272027000 385430093 /nfs/dbraw/zinc/43/00/93/385430093.db2.gz DCDMEKLYWSCUGC-UHFFFAOYSA-N 0 0 283.715 2.577 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nnc([C@H]2CCCO2)o1 ZINC000272199367 385471732 /nfs/dbraw/zinc/47/17/32/385471732.db2.gz HFUAEEHQLMVTTJ-LLVKDONJSA-N 0 0 295.726 2.892 20 10 CFCDRN C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492135 385551404 /nfs/dbraw/zinc/55/14/04/385551404.db2.gz DXRVIPGVYURWLV-DTWKUNHWSA-N 0 0 290.190 2.902 20 10 CFCDRN COCCc1ccnc(NCc2ccc(N(C)C)cc2)c1 ZINC000285293621 385554718 /nfs/dbraw/zinc/55/47/18/385554718.db2.gz TXBFPINFYXIQKK-UHFFFAOYSA-N 0 0 285.391 2.949 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000285939590 385558773 /nfs/dbraw/zinc/55/87/73/385558773.db2.gz FQWFRBYSSHJJPE-WDMOLILDSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)cc1[O-] ZINC000286045114 385559373 /nfs/dbraw/zinc/55/93/73/385559373.db2.gz JZGJRNBCZXCZPK-CYBMUJFWSA-N 0 0 263.316 2.804 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1[O-] ZINC000286108122 385560210 /nfs/dbraw/zinc/56/02/10/385560210.db2.gz NNKPBDLMWXZBOX-TZMCWYRMSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000286244584 385577097 /nfs/dbraw/zinc/57/70/97/385577097.db2.gz UDNOVSOVCHARAX-YPMHNXCESA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000286206841 385572027 /nfs/dbraw/zinc/57/20/27/385572027.db2.gz RPAABLDMSRGLCA-AWEZNQCLSA-N 0 0 277.343 2.814 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnn(CC(C)C)c2)SC1=S ZINC000272757828 385605663 /nfs/dbraw/zinc/60/56/63/385605663.db2.gz OJBZPWFFALEBGQ-VZUCSPMQSA-N 0 0 295.433 2.760 20 10 CFCDRN CCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273373640 385678868 /nfs/dbraw/zinc/67/88/68/385678868.db2.gz GQUOPYRWLRMQNP-SNVBAGLBSA-N 0 0 251.326 2.630 20 10 CFCDRN CC[NH+](CC)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419934 385683239 /nfs/dbraw/zinc/68/32/39/385683239.db2.gz RUNCKVFWWPEXFS-GFCCVEGCSA-N 0 0 295.383 2.683 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000273496061 385685994 /nfs/dbraw/zinc/68/59/94/385685994.db2.gz PBLFQZZTJISEJK-ZANVPECISA-N 0 0 275.327 2.983 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273602708 385691654 /nfs/dbraw/zinc/69/16/54/385691654.db2.gz SHDVYZLATMIFIS-QMTHXVAHSA-N 0 0 282.340 2.502 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2occc2C)cc1 ZINC000273137673 385670981 /nfs/dbraw/zinc/67/09/81/385670981.db2.gz DEHRTVVNLRFQMP-UHFFFAOYSA-N 0 0 289.331 2.776 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000287002901 385759820 /nfs/dbraw/zinc/75/98/20/385759820.db2.gz KEDPJOBJZMOQLU-LERXQTSPSA-N 0 0 267.344 2.876 20 10 CFCDRN COc1ccc(N(C)Cc2cncc(F)c2)c(OC)c1 ZINC000274410173 385790765 /nfs/dbraw/zinc/79/07/65/385790765.db2.gz ZSEQXUIVQDZDAC-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276930114 386083500 /nfs/dbraw/zinc/08/35/00/386083500.db2.gz NZFJDAOUSWOKIJ-ZJUUUORDSA-N 0 0 272.339 2.661 20 10 CFCDRN Cn1ccc(-c2ccc(Cl)nc2Cl)cc1=O ZINC001243085535 781980331 /nfs/dbraw/zinc/98/03/31/781980331.db2.gz HLOXZUUGDAFYRH-UHFFFAOYSA-N 0 0 255.104 2.754 20 10 CFCDRN CC[C@@H](C)N(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372447883 393449608 /nfs/dbraw/zinc/44/96/08/393449608.db2.gz UMLXMJPEYMPOKZ-GFCCVEGCSA-N 0 0 275.396 2.619 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)c(F)c1[O-] ZINC000372618481 393452677 /nfs/dbraw/zinc/45/26/77/393452677.db2.gz LDNWVLSYONVRJA-VNOQCFOKSA-N 0 0 269.291 2.641 20 10 CFCDRN CO[C@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000374377124 393495160 /nfs/dbraw/zinc/49/51/60/393495160.db2.gz IICTYUHUDHMWDM-HNNXBMFYSA-N 0 0 269.344 2.970 20 10 CFCDRN C[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000105311050 393863499 /nfs/dbraw/zinc/86/34/99/393863499.db2.gz LUGGCKUEHKKHIC-AAEUAGOBSA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1nc(CN(C)c2ccc3c(c2)OCO3)oc1C ZINC000121422105 393955508 /nfs/dbraw/zinc/95/55/08/393955508.db2.gz OTVIGAWGDCGIDR-UHFFFAOYSA-N 0 0 260.293 2.657 20 10 CFCDRN COc1ccc(N(C)CCCCCCO)cc1F ZINC000121812502 393960287 /nfs/dbraw/zinc/96/02/87/393960287.db2.gz PKUVGKBGTQWVCS-UHFFFAOYSA-N 0 0 255.333 2.823 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275685263 394047247 /nfs/dbraw/zinc/04/72/47/394047247.db2.gz IRFOLSZWSNTPEV-SNVBAGLBSA-N 0 0 282.340 2.766 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278238594 394060466 /nfs/dbraw/zinc/06/04/66/394060466.db2.gz NNUNSXQDASUTRA-JTQLQIEISA-N 0 0 282.340 2.785 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325863 394060787 /nfs/dbraw/zinc/06/07/87/394060787.db2.gz YRKHWFVUTVJJEX-GHMZBOCLSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1cncc(/C=C/C(=O)N(C)c2ccc(F)cc2)c1 ZINC000492521091 394070289 /nfs/dbraw/zinc/07/02/89/394070289.db2.gz OWTVQTWZAVWPNK-FPYGCLRLSA-N 0 0 286.306 2.906 20 10 CFCDRN CCN(C(=O)/C=C/c1cccnc1)c1ncccc1C ZINC000492640169 394073199 /nfs/dbraw/zinc/07/31/99/394073199.db2.gz LVWBZRPOOBAJSE-CMDGGOBGSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000280587874 394073443 /nfs/dbraw/zinc/07/34/43/394073443.db2.gz XHECEQRJVFQEEQ-JTQLQIEISA-N 0 0 263.337 2.606 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2cnccc2C)s1 ZINC000492643107 394073872 /nfs/dbraw/zinc/07/38/72/394073872.db2.gz RCDWENIQBJUIKA-SNAWJCMRSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCOCc2ccccc21 ZINC000492680227 394074327 /nfs/dbraw/zinc/07/43/27/394074327.db2.gz QCTHJZFFTKOVBN-VOTSOKGWSA-N 0 0 294.354 2.967 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ncccc2C)s1 ZINC000492668307 394074362 /nfs/dbraw/zinc/07/43/62/394074362.db2.gz BPBUUXINYVEKEG-VOTSOKGWSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)C[C@@H](C)O2 ZINC000492865576 394085098 /nfs/dbraw/zinc/08/50/98/394085098.db2.gz OTHXFVNOVMUEMR-TXNVCOODSA-N 0 0 283.331 2.545 20 10 CFCDRN CCc1occc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000281928525 394095861 /nfs/dbraw/zinc/09/58/61/394095861.db2.gz HOJSCHWPCWBUEU-UHFFFAOYSA-N 0 0 290.338 2.977 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)nc1 ZINC000492972429 394112816 /nfs/dbraw/zinc/11/28/16/394112816.db2.gz JUYFOMJVDGGFKD-XQRVVYSFSA-N 0 0 271.295 2.600 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2ccn(C)c2)cc1F ZINC000493006509 394122426 /nfs/dbraw/zinc/12/24/26/394122426.db2.gz PLIUWZAVUILNRU-QPJJXVBHSA-N 0 0 288.322 2.849 20 10 CFCDRN CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc(Cl)c1[O-] ZINC000287874119 394209784 /nfs/dbraw/zinc/20/97/84/394209784.db2.gz YBIATDJBDNJFRA-GFCCVEGCSA-N 0 0 298.814 2.859 20 10 CFCDRN Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)C1CC1 ZINC000364476750 394219055 /nfs/dbraw/zinc/21/90/55/394219055.db2.gz FDCIAZXOFLKTIR-QGZVFWFLSA-N 0 0 296.418 2.653 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc(Cl)c1[O-] ZINC000290261145 394227446 /nfs/dbraw/zinc/22/74/46/394227446.db2.gz VCOMHLKNBWUHSL-AGIUHOORSA-N 0 0 285.771 2.500 20 10 CFCDRN COc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1Cl ZINC000493422729 394238451 /nfs/dbraw/zinc/23/84/51/394238451.db2.gz AHNWMHULOAJWJU-ZZXKWVIFSA-N 0 0 291.738 2.748 20 10 CFCDRN CC(C)(O)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000294250291 394291605 /nfs/dbraw/zinc/29/16/05/394291605.db2.gz AIAIWCBTYKYSSI-UHFFFAOYSA-N 0 0 287.762 2.920 20 10 CFCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)C=Cc2c[nH]cn2)C1 ZINC000493636643 394297043 /nfs/dbraw/zinc/29/70/43/394297043.db2.gz YRHNXWABHTWYFO-WSROAFLRSA-N 0 0 296.374 2.542 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCOc2cc(F)ccc21 ZINC000493664074 394303864 /nfs/dbraw/zinc/30/38/64/394303864.db2.gz RCPYDUIKIXKQJW-RQOWECAXSA-N 0 0 290.319 2.721 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)c(O)c1O ZINC000186441377 292051445 /nfs/dbraw/zinc/05/14/45/292051445.db2.gz NDXXLELGBAJZJI-SNVBAGLBSA-N 0 0 263.337 2.668 20 10 CFCDRN CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187728556 286851081 /nfs/dbraw/zinc/85/10/81/286851081.db2.gz MTYYUMLUEHSYCY-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN CC[C@@H]([NH2+]CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287113571 286907603 /nfs/dbraw/zinc/90/76/03/286907603.db2.gz QRWHMTWLJGCNRV-GFCCVEGCSA-N 0 0 256.777 2.648 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000377407380 287071279 /nfs/dbraw/zinc/07/12/79/287071279.db2.gz AEUXALAQVLTPHT-BDAKNGLRSA-N 0 0 293.317 2.602 20 10 CFCDRN CC(=O)Nc1cccc(NCc2ccccc2O)c1 ZINC000019917134 170925822 /nfs/dbraw/zinc/92/58/22/170925822.db2.gz BSTGIHCIUVZBKT-UHFFFAOYSA-N 0 0 256.305 2.963 20 10 CFCDRN CCN(C(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000022172187 171368459 /nfs/dbraw/zinc/36/84/59/171368459.db2.gz WXDDTXVRGMRPCD-UHFFFAOYSA-N 0 0 260.381 2.993 20 10 CFCDRN Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1F ZINC000022211770 171374090 /nfs/dbraw/zinc/37/40/90/171374090.db2.gz JHWJVIVXOUHVMK-UHFFFAOYSA-N 0 0 258.296 2.898 20 10 CFCDRN COCCn1ccc(-c2cnc(SC)c(C)c2)cc1=O ZINC001243160558 782024324 /nfs/dbraw/zinc/02/43/24/782024324.db2.gz UZHCRCBWRZZQLH-UHFFFAOYSA-N 0 0 290.388 2.587 20 10 CFCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000037322963 260159962 /nfs/dbraw/zinc/15/99/62/260159962.db2.gz UQWXRENQCCTSHX-UHFFFAOYSA-N 0 0 253.317 2.964 20 10 CFCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cnccn2)c1 ZINC000491168881 261357021 /nfs/dbraw/zinc/35/70/21/261357021.db2.gz UVJZMSQXQLHHGH-VOTSOKGWSA-N 0 0 267.332 2.770 20 10 CFCDRN C[C@@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000184232334 262012994 /nfs/dbraw/zinc/01/29/94/262012994.db2.gz BHIUAAGKLVOSRG-RYUDHWBXSA-N 0 0 291.391 2.829 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCCc2c(F)cccc21 ZINC000492049266 262178856 /nfs/dbraw/zinc/17/88/56/262178856.db2.gz OAITYAWVFYQTEZ-SREVYHEPSA-N 0 0 283.306 2.608 20 10 CFCDRN COc1cc(OC)cc(N(C)C(=O)/C=C/c2cccnc2)c1 ZINC000188225101 262285292 /nfs/dbraw/zinc/28/52/92/262285292.db2.gz MUHNJKSNOSOXDR-VOTSOKGWSA-N 0 0 298.342 2.775 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000299550902 263246764 /nfs/dbraw/zinc/24/67/64/263246764.db2.gz XKTPYEKWWVLZMQ-DGCLKSJQSA-N 0 0 262.353 2.770 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CC(C)(C)Oc3ccccc32)c1 ZINC000934928811 649856598 /nfs/dbraw/zinc/85/65/98/649856598.db2.gz VCFRRBILUURGES-HJWRWDBZSA-N 0 0 297.358 2.638 20 10 CFCDRN CC(C)Cc1ncc(C(=O)NCc2ccccc2O)s1 ZINC000934935922 649858575 /nfs/dbraw/zinc/85/85/75/649858575.db2.gz OYLIBILMTGKFHU-UHFFFAOYSA-N 0 0 290.388 2.977 20 10 CFCDRN Cc1ccccc1[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000934938382 649858949 /nfs/dbraw/zinc/85/89/49/649858949.db2.gz AMFMRJPUUSCZAG-ZDUSSCGKSA-N 0 0 299.370 2.869 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)C=CCC2)c1 ZINC000934940085 649859285 /nfs/dbraw/zinc/85/92/85/649859285.db2.gz HQQLHKYLZWLEAQ-MEDUHNTESA-N 0 0 275.348 2.934 20 10 CFCDRN CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349100418 265168407 /nfs/dbraw/zinc/16/84/07/265168407.db2.gz AVVOPBZWEXMHHM-UHFFFAOYSA-N 0 0 259.353 2.696 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCOCC(F)(F)C1 ZINC000367685909 267108876 /nfs/dbraw/zinc/10/88/76/267108876.db2.gz NJUWPWPDZPWTHB-UHFFFAOYSA-N 0 0 277.698 2.513 20 10 CFCDRN C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134235 267147596 /nfs/dbraw/zinc/14/75/96/267147596.db2.gz LLPMLSGQUXHGMR-IUODEOHRSA-N 0 0 294.826 2.962 20 10 CFCDRN CN(C)c1ccc(CNc2cccc3c2OCC(=O)N3)cc1 ZINC000370664857 267336647 /nfs/dbraw/zinc/33/66/47/267336647.db2.gz LAJWXUGUHXKENH-UHFFFAOYSA-N 0 0 297.358 2.696 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3C[C@@H]4CCC[C@H]4C3)ccc21 ZINC000372445592 267565374 /nfs/dbraw/zinc/56/53/74/267565374.db2.gz HBGMUEIRMSHQIP-HOTGVXAUSA-N 0 0 299.418 2.620 20 10 CFCDRN CC[C@H]([NH2+]CC(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000287573835 288035684 /nfs/dbraw/zinc/03/56/84/288035684.db2.gz GZHQUYXUSAWHRW-LBPRGKRZSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@H]([NH2+]CCn1ccnc1)c1cccc(Cl)c1[O-] ZINC000286977634 288042936 /nfs/dbraw/zinc/04/29/36/288042936.db2.gz OEZPDGCGLIANLD-ZDUSSCGKSA-N 0 0 279.771 2.983 20 10 CFCDRN CC(C)N(C(=O)Cc1ccc(N)cc1)C1CCCC1 ZINC000236701350 279291292 /nfs/dbraw/zinc/29/12/92/279291292.db2.gz XWIDDRUYNRJSPG-UHFFFAOYSA-N 0 0 260.381 2.991 20 10 CFCDRN CN1CC[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000272540675 290232873 /nfs/dbraw/zinc/23/28/73/290232873.db2.gz BWRXYVPIYIPRTH-SMDDNHRTSA-N 0 0 280.799 2.572 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C)c(O)c1O ZINC000272804605 301515767 /nfs/dbraw/zinc/51/57/67/301515767.db2.gz ZCIXODIZRIMYKX-ONGXEEELSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2ccccc2F)cnn1C ZINC000255148098 326950856 /nfs/dbraw/zinc/95/08/56/326950856.db2.gz QFRKHSVEBSZGSP-HJWRWDBZSA-N 0 0 273.311 2.544 20 10 CFCDRN C[C@H](NCc1nncn1C)c1ccc(N2CCCCC2)cc1 ZINC000152340566 327559677 /nfs/dbraw/zinc/55/96/77/327559677.db2.gz WFSOUIWEROAWAZ-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN CN1CCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21 ZINC000368422723 328938246 /nfs/dbraw/zinc/93/82/46/328938246.db2.gz RMVZOOIRSGCHNU-UHFFFAOYSA-N 0 0 298.361 2.677 20 10 CFCDRN CCCOc1nccnc1N(C)Cc1ccccc1O ZINC000527942776 330293998 /nfs/dbraw/zinc/29/39/98/330293998.db2.gz ZJGNQAGSSPANNR-UHFFFAOYSA-N 0 0 273.336 2.607 20 10 CFCDRN CC[C@@H]([NH2+]CC1COC1)c1cccc(Cl)c1[O-] ZINC000528023567 330304812 /nfs/dbraw/zinc/30/48/12/330304812.db2.gz BFTWFAJYFWRFMC-GFCCVEGCSA-N 0 0 255.745 2.733 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CC=CC2)c1 ZINC000528144828 330309644 /nfs/dbraw/zinc/30/96/44/330309644.db2.gz BVTZNVWIORFTPQ-NSHDSACASA-N 0 0 290.363 2.727 20 10 CFCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccncc1 ZINC000117663725 330365644 /nfs/dbraw/zinc/36/56/44/330365644.db2.gz XRNLXXPRYVTRBL-SNAWJCMRSA-N 0 0 273.361 2.913 20 10 CFCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCC1 ZINC000457620765 331229296 /nfs/dbraw/zinc/22/92/96/331229296.db2.gz RYHXSUMMGYHZGU-LBPRGKRZSA-N 0 0 288.391 2.914 20 10 CFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCC1 ZINC000457620755 331229300 /nfs/dbraw/zinc/22/93/00/331229300.db2.gz RYHXSUMMGYHZGU-GFCCVEGCSA-N 0 0 288.391 2.914 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCSc2ccccc21 ZINC000491149884 332157040 /nfs/dbraw/zinc/15/70/40/332157040.db2.gz BREKQVAYDKGBLI-WAYWQWQTSA-N 0 0 283.356 2.629 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1ccc(F)c(F)c1 ZINC000491186738 332162253 /nfs/dbraw/zinc/16/22/53/332162253.db2.gz QAVFLNGTZGAFFP-UTCJRWHESA-N 0 0 289.285 2.821 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 ZINC000491908591 332374727 /nfs/dbraw/zinc/37/47/27/332374727.db2.gz XLBPAKQCJCLTRP-HSBSLETESA-N 0 0 295.342 2.694 20 10 CFCDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCc2ccncc21 ZINC000492446959 332397853 /nfs/dbraw/zinc/39/78/53/332397853.db2.gz VRLHXDMRSFBQBM-AATRIKPKSA-N 0 0 295.298 2.592 20 10 CFCDRN COc1cncc(/C=C/C(=O)N2CCOc3ccccc32)c1 ZINC000492475815 332399316 /nfs/dbraw/zinc/39/93/16/332399316.db2.gz RLTIKWBBOXEKBN-VOTSOKGWSA-N 0 0 296.326 2.529 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccnc1N(C)C ZINC000492503310 332400616 /nfs/dbraw/zinc/40/06/16/332400616.db2.gz QKWUASQBRQCWES-BQYQJAHWSA-N 0 0 296.374 2.527 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccnc(C)c1 ZINC000492741873 332411771 /nfs/dbraw/zinc/41/17/71/332411771.db2.gz MONLUEJTQFBMSD-PLNGDYQASA-N 0 0 273.361 2.831 20 10 CFCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc(F)c(Cl)c1 ZINC000492773769 332412980 /nfs/dbraw/zinc/41/29/80/332412980.db2.gz VSFUBEHPDWYHQE-DJWKRKHSSA-N 0 0 279.702 2.878 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2cc(F)ccc21 ZINC000492807497 332414339 /nfs/dbraw/zinc/41/43/39/332414339.db2.gz BJACHLCRCMSETP-ZZXKWVIFSA-N 0 0 268.291 2.823 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C/c2cncs2)ccn1 ZINC000492976420 332420963 /nfs/dbraw/zinc/42/09/63/332420963.db2.gz XYCHRSVTLMGNFH-ONEGZZNKSA-N 0 0 259.334 2.523 20 10 CFCDRN CCC(NC(=O)c1cccc(O)c1O)(C1CC1)C1CC1 ZINC000529800829 333509283 /nfs/dbraw/zinc/50/92/83/333509283.db2.gz UGULAMNSJKUMBK-UHFFFAOYSA-N 0 0 275.348 2.796 20 10 CFCDRN Cn1ccc2ncc(-c3cnc(N4CCCC4)nc3)cc21 ZINC001243317619 782133679 /nfs/dbraw/zinc/13/36/79/782133679.db2.gz ZNGNUYAFLQCSLM-UHFFFAOYSA-N 0 0 279.347 2.631 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000293369267 518286104 /nfs/dbraw/zinc/28/61/04/518286104.db2.gz JBHWCPOFBNGCJC-IUCAKERBSA-N 0 0 251.301 2.574 20 10 CFCDRN CC(C)(C)c1ccnc(NCCc2ccc(O)c(O)c2)n1 ZINC000293228324 519065094 /nfs/dbraw/zinc/06/50/94/519065094.db2.gz YOLJKRKCWCJWPK-UHFFFAOYSA-N 0 0 287.363 2.840 20 10 CFCDRN CC(=O)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000289518152 519357351 /nfs/dbraw/zinc/35/73/51/519357351.db2.gz CYDMUMNVEJXHLB-UHFFFAOYSA-N 0 0 257.380 2.691 20 10 CFCDRN CC(C)CC(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122774577 519613667 /nfs/dbraw/zinc/61/36/67/519613667.db2.gz KKEXEOJZSFFPTR-UHFFFAOYSA-N 0 0 279.380 2.829 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]cn1 ZINC000265606808 519655454 /nfs/dbraw/zinc/65/54/54/519655454.db2.gz KKVARVNXLXLNGY-UHFFFAOYSA-N 0 0 286.379 2.527 20 10 CFCDRN CC(C)COC[C@H](O)COc1ccc(N2CCCC2)cc1 ZINC000155258525 519759369 /nfs/dbraw/zinc/75/93/69/519759369.db2.gz NHPFNUWBZACVRT-INIZCTEOSA-N 0 0 293.407 2.699 20 10 CFCDRN CC(C)COc1cncc(N(C)Cc2ccccc2O)n1 ZINC000302646685 519765522 /nfs/dbraw/zinc/76/55/22/519765522.db2.gz MHNCRQXRSJTKTQ-UHFFFAOYSA-N 0 0 287.363 2.853 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372286948 519806173 /nfs/dbraw/zinc/80/61/73/519806173.db2.gz CPRKAIHHMWBXGP-LSDHHAIUSA-N 0 0 272.392 2.587 20 10 CFCDRN CCCOCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000065620936 520231655 /nfs/dbraw/zinc/23/16/55/520231655.db2.gz AXMBONYDGMNKPL-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000284396231 520399047 /nfs/dbraw/zinc/39/90/47/520399047.db2.gz PLFZWLUHKSQXBM-LBPRGKRZSA-N 0 0 250.298 2.579 20 10 CFCDRN CCCCN(C)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000288689704 520418990 /nfs/dbraw/zinc/41/89/90/520418990.db2.gz XVVATPVPQAGJKG-LBPRGKRZSA-N 0 0 295.383 2.510 20 10 CFCDRN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748400 520735211 /nfs/dbraw/zinc/73/52/11/520735211.db2.gz ZCQUOPUYBRFXEU-NWDGAFQWSA-N 0 0 268.376 2.912 20 10 CFCDRN CC1(CS(=O)(=O)NCc2ccccc2O)CCCCC1 ZINC000274884830 520746796 /nfs/dbraw/zinc/74/67/96/520746796.db2.gz PQGHAWBWGTVHLF-UHFFFAOYSA-N 0 0 297.420 2.782 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cnnc(C)c2)cc1 ZINC000276013676 520902078 /nfs/dbraw/zinc/90/20/78/520902078.db2.gz BESXQODGNWGUBS-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnc(C)n2C)cc1 ZINC000162035340 520913138 /nfs/dbraw/zinc/91/31/38/520913138.db2.gz MEOBPSQFUYOFCY-UHFFFAOYSA-N 0 0 273.384 2.582 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnco2)cc1F ZINC000285148318 520913323 /nfs/dbraw/zinc/91/33/23/520913323.db2.gz OMHLLVYPOHCKMK-UHFFFAOYSA-N 0 0 264.304 2.667 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000236782184 520971460 /nfs/dbraw/zinc/97/14/60/520971460.db2.gz RRIZBEFFKKJQNT-GFCCVEGCSA-N 0 0 280.437 2.849 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000158884374 520972713 /nfs/dbraw/zinc/97/27/13/520972713.db2.gz FYVVZBFRCITZID-SNVBAGLBSA-N 0 0 283.393 2.636 20 10 CFCDRN CCCC[C@H](C(=O)OC)N(C)Cc1ccccc1O ZINC000072629618 521125604 /nfs/dbraw/zinc/12/56/04/521125604.db2.gz GDBSPRLQWOQFBJ-CYBMUJFWSA-N 0 0 265.353 2.556 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc[nH]1 ZINC000070900554 521319701 /nfs/dbraw/zinc/31/97/01/521319701.db2.gz PTAAZJIXJLAHHR-UHFFFAOYSA-N 0 0 271.364 2.743 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cscn1 ZINC000062662059 521321227 /nfs/dbraw/zinc/32/12/27/521321227.db2.gz QWCQUXYWVQVRJB-UHFFFAOYSA-N 0 0 289.404 2.871 20 10 CFCDRN CCCc1occc1C(=O)NCc1ccc(O)c(O)c1 ZINC000282580240 521608241 /nfs/dbraw/zinc/60/82/41/521608241.db2.gz CFNDXTSSYFFMIB-UHFFFAOYSA-N 0 0 275.304 2.573 20 10 CFCDRN CCCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000174799972 521669147 /nfs/dbraw/zinc/66/91/47/521669147.db2.gz OYZXGKKZOOEZTC-UHFFFAOYSA-N 0 0 253.342 2.567 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CO[C@@H](C)CC ZINC000124639435 521688036 /nfs/dbraw/zinc/68/80/36/521688036.db2.gz BAAXZAGKDCSIIG-ZDUSSCGKSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCN(Cc1ncnn1C(C)C)Cc1ccccc1O ZINC000280062354 521695207 /nfs/dbraw/zinc/69/52/07/521695207.db2.gz PRLWRNOIKAAZNW-UHFFFAOYSA-N 0 0 288.395 2.977 20 10 CFCDRN CCCN(Cc1nnc(CC)o1)Cc1ccccc1O ZINC000104682353 521696171 /nfs/dbraw/zinc/69/61/71/521696171.db2.gz DEEOVFRPTNLVND-UHFFFAOYSA-N 0 0 275.352 2.750 20 10 CFCDRN CCSCc1cc(C(=O)NCc2ccccc2O)no1 ZINC000274686951 521717539 /nfs/dbraw/zinc/71/75/39/521717539.db2.gz SXCFVSWTCWLGLP-UHFFFAOYSA-N 0 0 292.360 2.563 20 10 CFCDRN CNC(=O)c1ccc(CN2CCc3cc(OC)ccc32)cc1 ZINC000066873062 521814617 /nfs/dbraw/zinc/81/46/17/521814617.db2.gz ITWDYHRKHDTQIM-UHFFFAOYSA-N 0 0 296.370 2.618 20 10 CFCDRN COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)c[nH]1 ZINC000272537965 521834890 /nfs/dbraw/zinc/83/48/90/521834890.db2.gz OLEGLJXOEGEAHR-UHFFFAOYSA-N 0 0 292.310 2.585 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278105114 521879162 /nfs/dbraw/zinc/87/91/62/521879162.db2.gz AFORITGTYSHJGK-CMPLNLGQSA-N 0 0 294.351 2.977 20 10 CFCDRN CCc1cccnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000270967100 521961576 /nfs/dbraw/zinc/96/15/76/521961576.db2.gz ZBCTVRPKGVALGZ-UHFFFAOYSA-N 0 0 297.402 2.982 20 10 CFCDRN COC(=O)c1ccc(CNCc2ccc(OC)c(C)c2)o1 ZINC000265114593 522035848 /nfs/dbraw/zinc/03/58/48/522035848.db2.gz BYQJXICNENJLFD-UHFFFAOYSA-N 0 0 289.331 2.673 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3CC=CC3)C2)cc1 ZINC000364722991 522157561 /nfs/dbraw/zinc/15/75/61/522157561.db2.gz MFNLVQKBVAGHNB-UHFFFAOYSA-N 0 0 282.387 2.944 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC2(C)C)cc1 ZINC000299093644 522166301 /nfs/dbraw/zinc/16/63/01/522166301.db2.gz VFMSTOHBMBBGQJ-CQSZACIVSA-N 0 0 275.396 2.693 20 10 CFCDRN CN(C)c1ccc(CN2CCc3ccc(CO)cc32)cc1 ZINC000365837374 522185512 /nfs/dbraw/zinc/18/55/12/522185512.db2.gz KSPRNWGULOFODA-UHFFFAOYSA-N 0 0 282.387 2.808 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC=CCC2)cc1 ZINC000076779549 522200810 /nfs/dbraw/zinc/20/08/10/522200810.db2.gz HHDTWKMROKWQEC-AWEZNQCLSA-N 0 0 273.380 2.661 20 10 CFCDRN CC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])OC ZINC000290225906 522201282 /nfs/dbraw/zinc/20/12/82/522201282.db2.gz RGQYBSYYUUXGTH-DGCLKSJQSA-N 0 0 255.333 2.997 20 10 CFCDRN CN(C)c1ccc(CNCC(F)(F)C(F)F)cc1F ZINC000276870822 522206315 /nfs/dbraw/zinc/20/63/15/522206315.db2.gz YMFGKLUFDSQUPO-UHFFFAOYSA-N 0 0 282.256 2.882 20 10 CFCDRN CN(C)c1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000277195470 522208003 /nfs/dbraw/zinc/20/80/03/522208003.db2.gz GGWSKKGTFUFKRI-CQSZACIVSA-N 0 0 292.423 2.979 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cn1 ZINC000276286855 522253953 /nfs/dbraw/zinc/25/39/53/522253953.db2.gz UZDDBEWLAIGUPF-UHFFFAOYSA-N 0 0 287.338 2.686 20 10 CFCDRN CC[C@@H](C)[C@@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073870302 522290912 /nfs/dbraw/zinc/29/09/12/522290912.db2.gz JSJQWOJMKYUUEG-GHMZBOCLSA-N 0 0 280.368 2.635 20 10 CFCDRN COc1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000302669109 522621729 /nfs/dbraw/zinc/62/17/29/522621729.db2.gz QVOFAUXJRJVYNJ-UHFFFAOYSA-N 0 0 288.303 2.945 20 10 CFCDRN CCc1nn(C)cc1NCc1cc(Cl)cc(OC)c1O ZINC000230935486 522702169 /nfs/dbraw/zinc/70/21/69/522702169.db2.gz FUZDDWIHGNYVLY-UHFFFAOYSA-N 0 0 295.770 2.962 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1ccc(F)cc1[O-] ZINC000286292735 522893401 /nfs/dbraw/zinc/89/34/01/522893401.db2.gz WSKVNIWBOARRCF-CQSZACIVSA-N 0 0 277.343 2.989 20 10 CFCDRN CCc1occc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000280794321 523017603 /nfs/dbraw/zinc/01/76/03/523017603.db2.gz LIIKRZQMAZMULD-SNVBAGLBSA-N 0 0 289.331 2.614 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000279711836 523033689 /nfs/dbraw/zinc/03/36/89/523033689.db2.gz AVOJNXYLOUWXTR-STQMWFEESA-N 0 0 277.364 2.930 20 10 CFCDRN COCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174515019 523097938 /nfs/dbraw/zinc/09/79/38/523097938.db2.gz WOMMDTWHBXGXNX-UHFFFAOYSA-N 0 0 291.391 2.704 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000279955307 523212808 /nfs/dbraw/zinc/21/28/08/523212808.db2.gz PICPGAFFDXLMSP-ZIAGYGMSSA-N 0 0 291.391 2.973 20 10 CFCDRN CC[C@@H]1CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000291643079 523334456 /nfs/dbraw/zinc/33/44/56/523334456.db2.gz BIXRHXFUTUYYTP-GFCCVEGCSA-N 0 0 279.359 2.586 20 10 CFCDRN CC[C@H]1C[C@@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272788917 523377504 /nfs/dbraw/zinc/37/75/04/523377504.db2.gz JLFYZHPFDXHCCA-JSGCOSHPSA-N 0 0 277.364 2.604 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1OCCc2ccccc21 ZINC000162618153 523383570 /nfs/dbraw/zinc/38/35/70/523383570.db2.gz VQTRTPGPPCOIAR-QGZVFWFLSA-N 0 0 297.354 2.665 20 10 CFCDRN CCc1[nH]ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000285040581 523661790 /nfs/dbraw/zinc/66/17/90/523661790.db2.gz PNBPZIQHAZTJKY-UHFFFAOYSA-N 0 0 285.391 2.915 20 10 CFCDRN CCc1c(Cl)ncnc1NCCc1ccc(O)c(O)c1 ZINC000297580579 523721006 /nfs/dbraw/zinc/72/10/06/523721006.db2.gz SRYNWAXRQLRSDN-UHFFFAOYSA-N 0 0 293.754 2.758 20 10 CFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCc2ccccc2C1 ZINC000237036982 523849393 /nfs/dbraw/zinc/84/93/93/523849393.db2.gz WSJBPRAKNYTBGU-SFHVURJKSA-N 0 0 294.398 2.827 20 10 CFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000237120593 523928226 /nfs/dbraw/zinc/92/82/26/523928226.db2.gz LUEAPBRQQBDEBB-QGZVFWFLSA-N 0 0 298.386 2.757 20 10 CFCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2ccccc2O)C1 ZINC000280044607 523982818 /nfs/dbraw/zinc/98/28/18/523982818.db2.gz VTTZJUXIRVSVNB-JSGCOSHPSA-N 0 0 277.364 2.604 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1C ZINC000299357323 524105549 /nfs/dbraw/zinc/10/55/49/524105549.db2.gz XMCKLPLLPCLKSW-UHFFFAOYSA-N 0 0 285.391 2.638 20 10 CFCDRN C[C@H]1CCC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000049007681 524141527 /nfs/dbraw/zinc/14/15/27/524141527.db2.gz SWCQIEVNNDNLFS-SWLSCSKDSA-N 0 0 260.381 2.848 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](C)O2)c(OC)c1 ZINC000190943044 524352964 /nfs/dbraw/zinc/35/29/64/524352964.db2.gz JVBXIEGUCBNEQW-YPMHNXCESA-N 0 0 265.353 2.708 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(OC)n2)cc1Cl ZINC000294959033 524355507 /nfs/dbraw/zinc/35/55/07/524355507.db2.gz DTQYUEHAXAIYRW-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(CC(F)F)c2)cc1F ZINC000293634719 524355751 /nfs/dbraw/zinc/35/57/51/524355751.db2.gz NLNATHLXVUCFCD-UHFFFAOYSA-N 0 0 299.296 2.932 20 10 CFCDRN COc1ccc(N(CC(=O)NCC2CC2)C(C)C)cc1F ZINC000263676845 524359364 /nfs/dbraw/zinc/35/93/64/524359364.db2.gz IACWYOHEIYBVJX-UHFFFAOYSA-N 0 0 294.370 2.575 20 10 CFCDRN COc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1F ZINC000084814717 524408601 /nfs/dbraw/zinc/40/86/01/524408601.db2.gz MQQJPMCUTXYHDL-UHFFFAOYSA-N 0 0 294.370 2.529 20 10 CFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)cc1 ZINC000171881884 524414319 /nfs/dbraw/zinc/41/43/19/524414319.db2.gz LLXFJNGKNIFJRO-AWEZNQCLSA-N 0 0 290.407 2.636 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000272562165 524435148 /nfs/dbraw/zinc/43/51/48/524435148.db2.gz CCRHVDFFPSMDPT-XCOQAZTISA-N 0 0 275.348 2.758 20 10 CFCDRN Cc1cccc(CN[C@@H](C)C(=O)OC2CCCC2)c1O ZINC000192007344 524436177 /nfs/dbraw/zinc/43/61/77/524436177.db2.gz SSFVSTLNWZCMOH-LBPRGKRZSA-N 0 0 277.364 2.665 20 10 CFCDRN Cc1cc(C)cc(OCCNC(=O)Cc2ccc(N)cc2)c1 ZINC000237842382 524447927 /nfs/dbraw/zinc/44/79/27/524447927.db2.gz MSGZZMZBZBZMMO-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN COc1ccc(O)c(CN2CCOC[C@@H]2c2ccco2)c1 ZINC000367739317 524742998 /nfs/dbraw/zinc/74/29/98/524742998.db2.gz FRLIFUXCMRRMOO-CQSZACIVSA-N 0 0 289.331 2.567 20 10 CFCDRN Cc1cccc(O[C@@H](C)CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237557646 524773266 /nfs/dbraw/zinc/77/32/66/524773266.db2.gz BSFCJPJMSCRLRD-AWEZNQCLSA-N 0 0 298.386 2.703 20 10 CFCDRN COc1ccncc1COc1ccc(N(C)C)cc1 ZINC000289426910 524861418 /nfs/dbraw/zinc/86/14/18/524861418.db2.gz RHKUEDMMAKEXRT-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN Cc1cc(NCc2c(O)ccc3c2CCCC3)ncn1 ZINC000301447846 525276909 /nfs/dbraw/zinc/27/69/09/525276909.db2.gz KKCQNVLVRNVQFE-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN CSCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000170975113 525349419 /nfs/dbraw/zinc/34/94/19/525349419.db2.gz DXSDLZNPXBHGNA-UHFFFAOYSA-N 0 0 292.448 2.902 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273485516 525391478 /nfs/dbraw/zinc/39/14/78/525391478.db2.gz NDAVZQOSHBBFPI-GRYCIOLGSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+]C1CC(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273350831 525394625 /nfs/dbraw/zinc/39/46/25/525394625.db2.gz BSZBKRGWQKDQEG-HWOCKDDLSA-N 0 0 250.298 2.750 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000276904262 525406735 /nfs/dbraw/zinc/40/67/35/525406735.db2.gz JPQHIDLJFFRPNQ-KWQFWETISA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@@H]([NH2+]CC1(O)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586178 525422079 /nfs/dbraw/zinc/42/20/79/525422079.db2.gz NWDBCGWKBOKSSE-LLVKDONJSA-N 0 0 294.351 2.646 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275819733 525445994 /nfs/dbraw/zinc/44/59/94/525445994.db2.gz MQTBHVNBUHIVGK-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)c(F)c1[O-] ZINC000191182840 525501946 /nfs/dbraw/zinc/50/19/46/525501946.db2.gz VJOGOXANCQUYKC-RKDXNWHRSA-N 0 0 257.280 2.500 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2cccc(C)c2)cnn1C ZINC000162580250 525514450 /nfs/dbraw/zinc/51/44/50/525514450.db2.gz XENZNESQABRRAH-CMDGGOBGSA-N 0 0 269.348 2.713 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290267619 525595359 /nfs/dbraw/zinc/59/53/59/525595359.db2.gz VWJVAWDNCLLEFA-IINYFYTJSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1cn[nH]c1 ZINC000276908167 525607126 /nfs/dbraw/zinc/60/71/26/525607126.db2.gz KGJCCSXYFNNTPC-SFYZADRCSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Cl)ccc1O ZINC000275810439 525624597 /nfs/dbraw/zinc/62/45/97/525624597.db2.gz ZLOJHAMKOCXWOS-BDAKNGLRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290267622 525626246 /nfs/dbraw/zinc/62/62/46/525626246.db2.gz VWJVAWDNCLLEFA-YGRLFVJLSA-N 0 0 267.344 2.733 20 10 CFCDRN CSC[C@@H](O)CN(C)c1ccc(OC(C)C)cc1 ZINC000277262307 525644294 /nfs/dbraw/zinc/64/42/94/525644294.db2.gz QZLCCTGDDKINRV-ZDUSSCGKSA-N 0 0 269.410 2.634 20 10 CFCDRN COc1cccc(CNC(=O)CCc2cccs2)c1O ZINC000171487465 525968781 /nfs/dbraw/zinc/96/87/81/525968781.db2.gz ZTRQECDDOPHZRS-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC(F)(F)C2)c1O ZINC000282479621 525998321 /nfs/dbraw/zinc/99/83/21/525998321.db2.gz MFGITYGTUZMTPB-JTQLQIEISA-N 0 0 299.317 2.843 20 10 CFCDRN Cc1cncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000075159821 526181222 /nfs/dbraw/zinc/18/12/22/526181222.db2.gz XNHHJHRJCCJZSO-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)C1(C)C ZINC000275971034 526195720 /nfs/dbraw/zinc/19/57/20/526195720.db2.gz NMEYBPNOQUYVOJ-AAEUAGOBSA-N 0 0 289.375 2.650 20 10 CFCDRN Cc1cnccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000274842633 526220289 /nfs/dbraw/zinc/22/02/89/526220289.db2.gz UPYRZWJLQPWIME-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN C[C@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000186454617 526238447 /nfs/dbraw/zinc/23/84/47/526238447.db2.gz AEVHMLYWVWXSKT-WMADIVHISA-N 0 0 275.348 2.760 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000228143511 526346648 /nfs/dbraw/zinc/34/66/48/526346648.db2.gz YJXFTVWUIBVSTP-TZMCWYRMSA-N 0 0 267.756 2.799 20 10 CFCDRN Cc1nnc2ccc(N[C@@H](C)c3ccc(N(C)C)cc3)nn12 ZINC000302428161 526414647 /nfs/dbraw/zinc/41/46/47/526414647.db2.gz PGVUJORFWDBNJH-NSHDSACASA-N 0 0 296.378 2.672 20 10 CFCDRN Cc1nnsc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000293363663 526448217 /nfs/dbraw/zinc/44/82/17/526448217.db2.gz HMJPZFICIBKLLH-ZCFIWIBFSA-N 0 0 285.319 2.681 20 10 CFCDRN Cc1nnsc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000293363653 526449058 /nfs/dbraw/zinc/44/90/58/526449058.db2.gz HMJPZFICIBKLLH-LURJTMIESA-N 0 0 285.319 2.681 20 10 CFCDRN Cc1noc(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n1 ZINC000276952047 526605029 /nfs/dbraw/zinc/60/50/29/526605029.db2.gz QWCFWAZTMIROQF-MRVPVSSYSA-N 0 0 297.305 2.645 20 10 CFCDRN Cc1nonc1CN(C)c1ccc(OC(C)C)cc1 ZINC000277120587 526702083 /nfs/dbraw/zinc/70/20/83/526702083.db2.gz HTPLJJBDTHQRAC-UHFFFAOYSA-N 0 0 261.325 2.802 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC2(C1)CCCCC2 ZINC000279808900 526769667 /nfs/dbraw/zinc/76/96/67/526769667.db2.gz KXDXKHPEIKJCNL-UHFFFAOYSA-N 0 0 261.321 2.504 20 10 CFCDRN O=S(=O)(CCSc1nccs1)Cc1ccccc1 ZINC000279839689 527177221 /nfs/dbraw/zinc/17/72/21/527177221.db2.gz CXBFNBKYFHNQSV-UHFFFAOYSA-N 0 0 299.442 2.850 20 10 CFCDRN O=[N+]([O-])c1ccccc1C=CCN1CCCc2n[nH]cc21 ZINC000291000994 527396076 /nfs/dbraw/zinc/39/60/76/527396076.db2.gz ATMNAWTVCAAKRH-ZZXKWVIFSA-N 0 0 284.319 2.784 20 10 CFCDRN O=[N+]([O-])c1ccsc1NCCc1ccc(O)c(O)c1 ZINC000302005207 527408364 /nfs/dbraw/zinc/40/83/64/527408364.db2.gz KRRMSEQKHWJEAC-UHFFFAOYSA-N 0 0 280.305 2.722 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000363752759 527475743 /nfs/dbraw/zinc/47/57/43/527475743.db2.gz RVBVCKXSTUDMJF-OAHLLOKOSA-N 0 0 298.361 2.967 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000050598593 527476788 /nfs/dbraw/zinc/47/67/88/527476788.db2.gz HPKXXJCRKYBDDB-INIZCTEOSA-N 0 0 280.371 2.827 20 10 CFCDRN Nc1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000160087749 527482291 /nfs/dbraw/zinc/48/22/91/527482291.db2.gz KNFJHKNPTSJKKF-UHFFFAOYSA-N 0 0 284.403 2.957 20 10 CFCDRN Nc1ccc(Cc2nc([C@H]3CCOC3)cs2)cc1 ZINC000157830921 527483681 /nfs/dbraw/zinc/48/36/81/527483681.db2.gz JNINNMKZXLUWTL-NSHDSACASA-N 0 0 260.362 2.820 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000364984074 527614452 /nfs/dbraw/zinc/61/44/52/527614452.db2.gz SJTOCPQDUSAAFS-LUIPGBGBSA-N 0 0 287.359 2.902 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnc(F)c(C)c1 ZINC001243396460 782180628 /nfs/dbraw/zinc/18/06/28/782180628.db2.gz XWOQLDPOBSBPQZ-UHFFFAOYSA-N 0 0 286.310 2.587 20 10 CFCDRN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000753574356 574064633 /nfs/dbraw/zinc/06/46/33/574064633.db2.gz CXDQJZWVLNWXCY-AMIZOPFISA-N 0 0 273.735 2.842 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2O1 ZINC000742001682 574089601 /nfs/dbraw/zinc/08/96/01/574089601.db2.gz XNMLDRQAGDYNBT-QIAWRQBBSA-N 0 0 297.358 2.638 20 10 CFCDRN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)C2=CC(=O)CS2)[nH]1 ZINC000754425929 574095233 /nfs/dbraw/zinc/09/52/33/574095233.db2.gz NPBYQRUPQSWSBM-HTQZYQBOSA-N 0 0 294.380 2.576 20 10 CFCDRN C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CCCOC1 ZINC000730803861 574097962 /nfs/dbraw/zinc/09/79/62/574097962.db2.gz PHJRCOAORBNXNV-CYBMUJFWSA-N 0 0 286.375 2.799 20 10 CFCDRN COc1cccc(CNc2nc(C)nc3[nH]ccc32)c1O ZINC000751224648 574098638 /nfs/dbraw/zinc/09/86/38/574098638.db2.gz HJJOLGXSQPJCIE-UHFFFAOYSA-N 0 0 284.319 2.593 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=S)NCC(C)C)c1 ZINC000728793693 574110654 /nfs/dbraw/zinc/11/06/54/574110654.db2.gz VGNOUTRVIJUXDI-JTQLQIEISA-N 0 0 282.409 2.582 20 10 CFCDRN COc1cc(C)cc(CN(CC(F)F)C2CC2)c1O ZINC000754726113 574116988 /nfs/dbraw/zinc/11/69/88/574116988.db2.gz AKUJOQJZKGFMKK-UHFFFAOYSA-N 0 0 271.307 2.939 20 10 CFCDRN Cc1ccc(F)c2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000731329674 574117132 /nfs/dbraw/zinc/11/71/32/574117132.db2.gz HCQIIHSTNFXLFI-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN CC(C)OCc1noc(CSc2nccs2)n1 ZINC000731794277 574129203 /nfs/dbraw/zinc/12/92/03/574129203.db2.gz RGJXKSCOKLYBKJ-UHFFFAOYSA-N 0 0 271.367 2.743 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2cnccc21 ZINC000745993366 574130877 /nfs/dbraw/zinc/13/08/77/574130877.db2.gz RHKKQCGJOCDWRC-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN O=C(NCc1nc2ccccc2s1)C1=CC(=O)CS1 ZINC000731862011 574130937 /nfs/dbraw/zinc/13/09/37/574130937.db2.gz WPXVEJXPLJVSPS-UHFFFAOYSA-N 0 0 290.369 2.993 20 10 CFCDRN CN(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1cccs1 ZINC000731865330 574131300 /nfs/dbraw/zinc/13/13/00/574131300.db2.gz BIFIFRHAJWFPNE-JTQLQIEISA-N 0 0 296.417 2.548 20 10 CFCDRN CCc1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000731910939 574133463 /nfs/dbraw/zinc/13/34/63/574133463.db2.gz WXGAOXTXNPONAQ-UHFFFAOYSA-N 0 0 269.347 2.830 20 10 CFCDRN O=C(OCc1nc2ccccc2o1)C1=CC(=O)CS1 ZINC000731910812 574133549 /nfs/dbraw/zinc/13/35/49/574133549.db2.gz CYFCLCXCCRDPCE-UHFFFAOYSA-N 0 0 275.285 2.952 20 10 CFCDRN O=C(OCc1ccccc1F)C1=CC(=O)CS1 ZINC000731911213 574133757 /nfs/dbraw/zinc/13/37/57/574133757.db2.gz GJIIOISHYAAHTJ-UHFFFAOYSA-N 0 0 252.266 2.950 20 10 CFCDRN CCN(Cc1ccc(C(N)=O)cc1)c1ccc(OC)cc1 ZINC000746108750 574134602 /nfs/dbraw/zinc/13/46/02/574134602.db2.gz ALSPBQQTASYKRA-UHFFFAOYSA-N 0 0 284.359 2.821 20 10 CFCDRN CCN(CC(=O)N1CCC(C)CC1)c1ccc(OC)cc1 ZINC000746109161 574134746 /nfs/dbraw/zinc/13/47/46/574134746.db2.gz LADIWJOLXMGKPC-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN CCN(CC(=O)N1CCCCCC1)c1ccc(OC)cc1 ZINC000746109089 574134786 /nfs/dbraw/zinc/13/47/86/574134786.db2.gz JNSMUMBSBUZQJF-UHFFFAOYSA-N 0 0 290.407 2.924 20 10 CFCDRN CCC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728942484 574140781 /nfs/dbraw/zinc/14/07/81/574140781.db2.gz VRVGXZPQJRTFKC-MNOVXSKESA-N 0 0 280.368 2.950 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OCC(C)C)c1 ZINC000728982367 574143528 /nfs/dbraw/zinc/14/35/28/574143528.db2.gz LTDILXJYTGECIJ-RYUDHWBXSA-N 0 0 295.379 2.639 20 10 CFCDRN COc1cccc([C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732267468 574148072 /nfs/dbraw/zinc/14/80/72/574148072.db2.gz GEETUMWHTNVGJK-VIFPVBQESA-N 0 0 277.345 2.953 20 10 CFCDRN CN(Cc1cccc(F)c1)C(=O)C1=CC(=O)CS1 ZINC000732258959 574148153 /nfs/dbraw/zinc/14/81/53/574148153.db2.gz WPLNTEGUEDHKAR-UHFFFAOYSA-N 0 0 265.309 2.865 20 10 CFCDRN COc1ccc([C@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000732267561 574148193 /nfs/dbraw/zinc/14/81/93/574148193.db2.gz KMWAGAQFUKRJLT-VIFPVBQESA-N 0 0 277.345 2.953 20 10 CFCDRN Cc1cc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)on1 ZINC000732269632 574148752 /nfs/dbraw/zinc/14/87/52/574148752.db2.gz GRUOLPDBTATXKZ-SNVBAGLBSA-N 0 0 278.333 2.727 20 10 CFCDRN O=C(NCc1nc(-c2ccccc2)c[nH]1)C1=CC(=O)CS1 ZINC000732278575 574149472 /nfs/dbraw/zinc/14/94/72/574149472.db2.gz QCSOUUWZDWYXRZ-UHFFFAOYSA-N 0 0 299.355 2.774 20 10 CFCDRN O=C(N[C@H]1C[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277756 574149487 /nfs/dbraw/zinc/14/94/87/574149487.db2.gz OKDZJWCFMPVWDQ-RYUDHWBXSA-N 0 0 259.330 2.740 20 10 CFCDRN O=C(NCc1cc2ccccc2[nH]1)C1=CC(=O)CS1 ZINC000732279526 574149858 /nfs/dbraw/zinc/14/98/58/574149858.db2.gz SVVRKSWGBKUGLF-UHFFFAOYSA-N 0 0 272.329 2.865 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000746478595 574150860 /nfs/dbraw/zinc/15/08/60/574150860.db2.gz CRKCUSPYGOHDLM-HNNXBMFYSA-N 0 0 299.305 2.540 20 10 CFCDRN CCCCc1noc(COC(=O)C2=CC(=O)CS2)n1 ZINC000732354366 574153380 /nfs/dbraw/zinc/15/33/80/574153380.db2.gz KHWQXLUKDDTTBK-UHFFFAOYSA-N 0 0 282.321 2.536 20 10 CFCDRN O=C(Nc1cccc(-n2ccnc2)c1)C1=CC(=O)CS1 ZINC000746685511 574162895 /nfs/dbraw/zinc/16/28/95/574162895.db2.gz DEUYPWFWDJRUMU-UHFFFAOYSA-N 0 0 285.328 2.892 20 10 CFCDRN CN1CCCc2cc(CNC(=S)NC(C)(C)C)ccc21 ZINC000746689242 574163269 /nfs/dbraw/zinc/16/32/69/574163269.db2.gz ZLIREXQCHNLULW-UHFFFAOYSA-N 0 0 291.464 2.832 20 10 CFCDRN CN(C)c1ccc(CNc2cc3c(nn2)CCC3)cc1F ZINC000746721643 574164715 /nfs/dbraw/zinc/16/47/15/574164715.db2.gz PRYGXTRTMMQPEY-UHFFFAOYSA-N 0 0 286.354 2.783 20 10 CFCDRN CN1CCCc2cc(CNC(=O)/C=C\c3ccco3)ccc21 ZINC000746809309 574166693 /nfs/dbraw/zinc/16/66/93/574166693.db2.gz UWAZCOZWGLSLLS-CLFYSBASSA-N 0 0 296.370 2.992 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1C ZINC000738464015 574170514 /nfs/dbraw/zinc/17/05/14/574170514.db2.gz VOJUHMDHWQTRSO-AWEZNQCLSA-N 0 0 277.364 2.838 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)c1ccsc1 ZINC000738512611 574172305 /nfs/dbraw/zinc/17/23/05/574172305.db2.gz AYNFEXGBHBZLJN-SNVBAGLBSA-N 0 0 261.346 2.874 20 10 CFCDRN CC(C)n1cc([C@H](C)NC(=O)C2=CC(=O)CS2)cn1 ZINC000732835181 574174877 /nfs/dbraw/zinc/17/48/77/574174877.db2.gz HTYZEAXCEWTXDH-VIFPVBQESA-N 0 0 279.365 2.722 20 10 CFCDRN Fc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747722964 574208166 /nfs/dbraw/zinc/20/81/66/574208166.db2.gz VVCBLECMBLKPQN-UHFFFAOYSA-N 0 0 279.315 2.846 20 10 CFCDRN c1csc(Sc2nccn2Cc2ccccn2)n1 ZINC000733189269 574209536 /nfs/dbraw/zinc/20/95/36/574209536.db2.gz IJBJKKAGDPRRQX-UHFFFAOYSA-N 0 0 274.374 2.934 20 10 CFCDRN CC(C)c1nnc(CNCc2ccccc2O)s1 ZINC000756141763 574212614 /nfs/dbraw/zinc/21/26/14/574212614.db2.gz YPVBCZLTPCDAFR-UHFFFAOYSA-N 0 0 263.366 2.657 20 10 CFCDRN C[C@H](CCC[C@@H](C)C(=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756298826 574222548 /nfs/dbraw/zinc/22/25/48/574222548.db2.gz GBFISPKQGLARLH-CHWSQXEVSA-N 0 0 291.391 2.991 20 10 CFCDRN Cc1ccc2oc(C(=O)NCc3ccccc3O)cc2n1 ZINC000729529868 574223152 /nfs/dbraw/zinc/22/31/52/574223152.db2.gz LKTQJKQRABGKTF-UHFFFAOYSA-N 0 0 282.299 2.772 20 10 CFCDRN CCOC(=O)CCCCN(C)c1ccc(OC)c(OC)c1 ZINC000739912912 574228867 /nfs/dbraw/zinc/22/88/67/574228867.db2.gz XTRQDWXDGFKHOF-UHFFFAOYSA-N 0 0 295.379 2.873 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccco1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756373050 574230956 /nfs/dbraw/zinc/23/09/56/574230956.db2.gz RSJBMSQNCDTMQX-SNVBAGLBSA-N 0 0 276.292 2.787 20 10 CFCDRN CC[C@H](Nc1ccccc1)C(=O)NCc1ccccc1O ZINC000729860899 574234093 /nfs/dbraw/zinc/23/40/93/574234093.db2.gz VQXGFKOXYJRXDG-HNNXBMFYSA-N 0 0 284.359 2.899 20 10 CFCDRN COc1cccc(CNC(=O)Cc2ccc(C)c(C)c2)c1O ZINC000729861212 574234194 /nfs/dbraw/zinc/23/41/94/574234194.db2.gz GXBSQOSCBDJOGB-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN COCCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756498799 574241777 /nfs/dbraw/zinc/24/17/77/574241777.db2.gz XGERXENXIREVOB-LBPRGKRZSA-N 0 0 295.379 2.646 20 10 CFCDRN Cc1nccn1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756511292 574242837 /nfs/dbraw/zinc/24/28/37/574242837.db2.gz UZKPEMIMMDEHEV-SECBINFHSA-N 0 0 281.306 2.526 20 10 CFCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756530480 574244490 /nfs/dbraw/zinc/24/44/90/574244490.db2.gz YSEZUKMBIHVNPO-BDAKNGLRSA-N 0 0 259.296 2.746 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756551778 574246503 /nfs/dbraw/zinc/24/65/03/574246503.db2.gz XWSWLIQGFUKGLM-UWVGGRQHSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756550621 574246708 /nfs/dbraw/zinc/24/67/08/574246708.db2.gz JHAGYHHYEIMNJA-GXFFZTMASA-N 0 0 296.361 2.805 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756557898 574247479 /nfs/dbraw/zinc/24/74/79/574247479.db2.gz XSKAYSDOUGPFNP-WCBMZHEXSA-N 0 0 257.280 2.500 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(-n2cccn2)cc1 ZINC000748352652 574248200 /nfs/dbraw/zinc/24/82/00/574248200.db2.gz FHLFDVMODRTWQQ-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2O)c1 ZINC000748354283 574248883 /nfs/dbraw/zinc/24/88/83/574248883.db2.gz IVBFLNXXSHEPCC-CYBMUJFWSA-N 0 0 285.343 2.784 20 10 CFCDRN C[C@@H]([NH2+]CCOc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756574394 574249187 /nfs/dbraw/zinc/24/91/87/574249187.db2.gz VMBWBMMLEGJAJW-SNVBAGLBSA-N 0 0 294.301 2.795 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756611053 574252027 /nfs/dbraw/zinc/25/20/27/574252027.db2.gz JBRMHJGXWDXIBL-LPEHRKFASA-N 0 0 271.307 2.746 20 10 CFCDRN O=C([O-])N1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740512606 574252379 /nfs/dbraw/zinc/25/23/79/574252379.db2.gz OIHNWFWAJLPSAE-SNVBAGLBSA-N 0 0 298.770 2.525 20 10 CFCDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756636215 574254095 /nfs/dbraw/zinc/25/40/95/574254095.db2.gz VVKDBJULBOFLKQ-RWWNRMGGSA-N 0 0 294.351 2.645 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756647229 574255224 /nfs/dbraw/zinc/25/52/24/574255224.db2.gz RPTTUWMCFQPSSM-OTYXRUKQSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756646773 574255444 /nfs/dbraw/zinc/25/54/44/574255444.db2.gz PFJKFCZEWWDJKI-IJLUTSLNSA-N 0 0 267.344 2.997 20 10 CFCDRN CN(C[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2 ZINC000756653332 574255626 /nfs/dbraw/zinc/25/56/26/574255626.db2.gz HBNWBYZBHCZANY-ZDUSSCGKSA-N 0 0 299.326 2.692 20 10 CFCDRN C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756660649 574256556 /nfs/dbraw/zinc/25/65/56/574256556.db2.gz OCIQNOGZSRMEQA-RQJHMYQMSA-N 0 0 291.178 2.614 20 10 CFCDRN CCCCNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740627818 574259165 /nfs/dbraw/zinc/25/91/65/574259165.db2.gz BLQLYZJEPGLHGP-UHFFFAOYSA-N 0 0 289.448 2.827 20 10 CFCDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756747022 574260494 /nfs/dbraw/zinc/26/04/94/574260494.db2.gz LGPSZGCLMYYJNJ-NSHDSACASA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(F)cc(F)c1[O-] ZINC000756761031 574261230 /nfs/dbraw/zinc/26/12/30/574261230.db2.gz QTRKFUNUSUGSMC-KWQFWETISA-N 0 0 293.317 2.602 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C/c1cnccn1 ZINC000733944960 574264613 /nfs/dbraw/zinc/26/46/13/574264613.db2.gz RKHNNQCPXDHESD-BQYQJAHWSA-N 0 0 279.343 2.778 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840579 574266489 /nfs/dbraw/zinc/26/64/89/574266489.db2.gz XTJYCXGJHQMWAF-SNVBAGLBSA-N 0 0 275.348 2.772 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000756835116 574266530 /nfs/dbraw/zinc/26/65/30/574266530.db2.gz MSZZLCUGEIAJNE-WKEGUHRASA-N 0 0 299.239 2.898 20 10 CFCDRN CCOc1ccc(N(C)C/C=C(/C)C(=O)OC)cc1 ZINC000748821973 574269768 /nfs/dbraw/zinc/26/97/68/574269768.db2.gz VPRUCYDQBNJBOY-BENRWUELSA-N 0 0 263.337 2.641 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)C1CC1 ZINC000734663382 574297298 /nfs/dbraw/zinc/29/72/98/574297298.db2.gz KWJZIDIRCFYWNO-ZDUSSCGKSA-N 0 0 289.423 2.906 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C2CCC1CC2 ZINC000734687283 574298150 /nfs/dbraw/zinc/29/81/50/574298150.db2.gz SBLDSUWNGGRYAF-UHFFFAOYSA-N 0 0 287.407 2.897 20 10 CFCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccncc1 ZINC000749619490 574302803 /nfs/dbraw/zinc/30/28/03/574302803.db2.gz WCXIEUMXJLYWDO-CYBMUJFWSA-N 0 0 299.374 2.732 20 10 CFCDRN Cc1ccncc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000741931398 574310373 /nfs/dbraw/zinc/31/03/73/574310373.db2.gz GFTZCUBZMKQJSP-UHFFFAOYSA-N 0 0 283.375 2.694 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1occc1Br ZINC000735305576 574319973 /nfs/dbraw/zinc/31/99/73/574319973.db2.gz VUSLJKGAULQHQK-UTCJRWHESA-N 0 0 290.163 2.531 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CCC1 ZINC000750001668 574320846 /nfs/dbraw/zinc/32/08/46/574320846.db2.gz ZJHIVLHQSQJMRS-UHFFFAOYSA-N 0 0 260.381 2.867 20 10 CFCDRN O=C1N[C@H](c2cccc(O)c2O)Nc2cccc(Cl)c21 ZINC000742445033 574330770 /nfs/dbraw/zinc/33/07/70/574330770.db2.gz NHJVVIVKMXABEG-CYBMUJFWSA-N 0 0 290.706 2.605 20 10 CFCDRN CCC[C@H](O)CC(=O)N(CCC)Cc1ccccc1O ZINC000750424429 574338923 /nfs/dbraw/zinc/33/89/23/574338923.db2.gz ORTKFASLFVODBR-AWEZNQCLSA-N 0 0 279.380 2.682 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccc(Cl)nc2)c(O)c1O ZINC000750618290 574349492 /nfs/dbraw/zinc/34/94/92/574349492.db2.gz CVWPAGOKDIODHW-UHFFFAOYSA-N 0 0 293.706 2.812 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2ccco2)c1 ZINC000743337665 574358620 /nfs/dbraw/zinc/35/86/20/574358620.db2.gz YLSOAVJEOFNPGW-WDEREUQCSA-N 0 0 289.331 2.975 20 10 CFCDRN Cc1nc2cc(NC(=O)C3=CC(=O)CS3)ccc2n1C ZINC000743806672 574372676 /nfs/dbraw/zinc/37/26/76/574372676.db2.gz PMLYOHGDXNCQEX-UHFFFAOYSA-N 0 0 287.344 2.901 20 10 CFCDRN COc1cc(N(C)CCC2CC2)cc(OC)c1OC ZINC000743850916 574374220 /nfs/dbraw/zinc/37/42/20/574374220.db2.gz VYLIFGZWNIZQIN-UHFFFAOYSA-N 0 0 265.353 2.949 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCOC2)c(OC)c1 ZINC000752126022 574388383 /nfs/dbraw/zinc/38/83/83/574388383.db2.gz VEEYBNYPENTUCI-LBPRGKRZSA-N 0 0 265.353 2.567 20 10 CFCDRN COc1cccc(CNC(=O)C23CCC(CC2)C3)c1O ZINC000752597316 574392991 /nfs/dbraw/zinc/39/29/91/574392991.db2.gz VVRZFVFXIYSUDC-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000752823988 574395626 /nfs/dbraw/zinc/39/56/26/574395626.db2.gz GILPJXAUKAJDQU-QWRGUYRKSA-N 0 0 283.418 2.954 20 10 CFCDRN Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000818849309 597136819 /nfs/dbraw/zinc/13/68/19/597136819.db2.gz REJPOMYZPZHRMJ-UHFFFAOYSA-N 0 0 285.343 2.997 20 10 CFCDRN O=C([O-])[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000821511404 598128778 /nfs/dbraw/zinc/12/87/78/598128778.db2.gz JWJUHMPKBSDLDN-HNNXBMFYSA-N 0 0 288.391 2.583 20 10 CFCDRN Cc1cc(O)c(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1C ZINC000821046108 598194179 /nfs/dbraw/zinc/19/41/79/598194179.db2.gz RKQUNONVSNLTOI-UHFFFAOYSA-N 0 0 285.343 2.997 20 10 CFCDRN O=C([O-])[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000050510075 600297393 /nfs/dbraw/zinc/29/73/93/600297393.db2.gz BENHVQWOHDDVCT-MRXNPFEDSA-N 0 0 283.327 2.537 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000050509854 600432728 /nfs/dbraw/zinc/43/27/28/600432728.db2.gz JQBGLAAIZOUJIY-MRXNPFEDSA-N 0 0 285.343 2.919 20 10 CFCDRN O=C([O-])[C@]1(F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000833176008 601371768 /nfs/dbraw/zinc/37/17/68/601371768.db2.gz VTCNGJUBCWMYJD-INIZCTEOSA-N 0 0 289.306 2.544 20 10 CFCDRN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000828664504 601431301 /nfs/dbraw/zinc/43/13/01/601431301.db2.gz AZWWKDRVQXSVFZ-OAHLLOKOSA-N 0 0 282.359 2.625 20 10 CFCDRN CCOc1cccc(C[NH2+][C@](C)(CC)CC(=O)[O-])c1O ZINC000830104187 601433389 /nfs/dbraw/zinc/43/33/89/601433389.db2.gz AUASHHWPKJZPNL-OAHLLOKOSA-N 0 0 281.352 2.524 20 10 CFCDRN CC[C@H](C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000828747658 601825439 /nfs/dbraw/zinc/82/54/39/601825439.db2.gz RVTBSTWPWVTVOC-JTQLQIEISA-N 0 0 285.771 2.978 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825490173 604294934 /nfs/dbraw/zinc/29/49/34/604294934.db2.gz IKPVHEKYQVSTKV-DOMZBBRYSA-N 0 0 291.395 2.546 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000825480393 604327037 /nfs/dbraw/zinc/32/70/37/604327037.db2.gz XIDLZZUAUIQVTM-JSGCOSHPSA-N 0 0 291.395 2.546 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000315820710 604465438 /nfs/dbraw/zinc/46/54/38/604465438.db2.gz AUCDEKSYYHIAHR-INIZCTEOSA-N 0 0 297.354 2.712 20 10 CFCDRN O=C([O-])[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000405351163 604649433 /nfs/dbraw/zinc/64/94/33/604649433.db2.gz CZEUMFPPQVDJMI-NSHDSACASA-N 0 0 295.766 2.732 20 10 CFCDRN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1O ZINC000227229744 604679742 /nfs/dbraw/zinc/67/97/42/604679742.db2.gz YUFGOMVHOBPLHC-XBFCOCLRSA-N 0 0 275.348 2.610 20 10 CFCDRN O=C([O-])C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000086791053 604981409 /nfs/dbraw/zinc/98/14/09/604981409.db2.gz IQDNYAVHDXUYPZ-CYBMUJFWSA-N 0 0 285.343 2.985 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000935944406 649963996 /nfs/dbraw/zinc/96/39/96/649963996.db2.gz RFTNXAKNEJYOHD-WUHRBBMRSA-N 0 0 294.391 2.786 20 10 CFCDRN Fc1ccc(-c2nn[nH]n2)c(CSc2nccs2)c1 ZINC000822758579 607040433 /nfs/dbraw/zinc/04/04/33/607040433.db2.gz SICNKNUPSIICEW-UHFFFAOYSA-N 0 0 293.352 2.755 20 10 CFCDRN CC1(C)Cc2cccc(C=C3SC(=S)NC3=O)c2O1 ZINC000255014783 617748518 /nfs/dbraw/zinc/74/85/18/617748518.db2.gz RDFQBETWEBYWKY-UXBLZVDNSA-N 0 0 291.397 2.889 20 10 CFCDRN COC1(C(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC000890759519 617837066 /nfs/dbraw/zinc/83/70/66/617837066.db2.gz MMHYXSYKZLWABX-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(Cl)c1O ZINC000890759716 617837653 /nfs/dbraw/zinc/83/76/53/617837653.db2.gz PEJJUNUVAFKVDO-ZJUUUORDSA-N 0 0 295.766 2.667 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761334 617838152 /nfs/dbraw/zinc/83/81/52/617838152.db2.gz OMVVGBAPPYJGIP-AAEUAGOBSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCC1=O ZINC000890760395 617838202 /nfs/dbraw/zinc/83/82/02/617838202.db2.gz QSSYECHSDPPMKP-NXEZZACHSA-N 0 0 295.766 2.667 20 10 CFCDRN CC1(C)C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760562 617838845 /nfs/dbraw/zinc/83/88/45/617838845.db2.gz TWRQWXNSWQVCCA-VIFPVBQESA-N 0 0 253.729 2.708 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1(F)CCCC1 ZINC000890760010 617838876 /nfs/dbraw/zinc/83/88/76/617838876.db2.gz YOYKZVNXZRMOJB-UHFFFAOYSA-N 0 0 271.719 2.944 20 10 CFCDRN CCCCC[C@@H](O)C(=O)NCc1cccc(Cl)c1O ZINC000890761781 617841606 /nfs/dbraw/zinc/84/16/06/617841606.db2.gz XPSYQCUHWMLICJ-GFCCVEGCSA-N 0 0 285.771 2.603 20 10 CFCDRN O=C(N[C@H]1CCCC2(CC2)C1)c1c(F)ccc(O)c1O ZINC000900763704 620715985 /nfs/dbraw/zinc/71/59/85/620715985.db2.gz RSAQSGWVTQQFBD-VIFPVBQESA-N 0 0 279.311 2.690 20 10 CFCDRN CSCC(C)(C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000890872504 617928610 /nfs/dbraw/zinc/92/86/10/617928610.db2.gz ULJBYRHBEKUQBO-UHFFFAOYSA-N 0 0 294.380 2.720 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2cc(C)on2)c1 ZINC000044692331 618028492 /nfs/dbraw/zinc/02/84/92/618028492.db2.gz GSERPJMYJWSQCE-JTQLQIEISA-N 0 0 262.309 2.548 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)cc1[O-] ZINC000286109977 617625439 /nfs/dbraw/zinc/62/54/39/617625439.db2.gz NQCFWSDHMLCGGC-OPQSFPLASA-N 0 0 265.328 2.892 20 10 CFCDRN CC(C)(C)CN(C(=O)/C=C\c1cnccn1)c1ccccn1 ZINC000891500692 617638067 /nfs/dbraw/zinc/63/80/67/617638067.db2.gz TTWDYJCJEKHEIE-FPLPWBNLSA-N 0 0 296.374 2.964 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000891606654 617684432 /nfs/dbraw/zinc/68/44/32/617684432.db2.gz JNDZXWZMOUFMST-HOCLYGCPSA-N 0 0 287.407 2.837 20 10 CFCDRN Oc1ccc(CCNc2ccnc(Cl)c2)cc1O ZINC000811810771 617728245 /nfs/dbraw/zinc/72/82/45/617728245.db2.gz BHICMFHWHYJOGD-UHFFFAOYSA-N 0 0 264.712 2.801 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](F)C2)cc1OC ZINC000804687124 617811344 /nfs/dbraw/zinc/81/13/44/617811344.db2.gz JNAMCCGTPSCETB-SECBINFHSA-N 0 0 284.287 2.550 20 10 CFCDRN COc1cccc(CNC(=O)/C(F)=C(\C)C2CC2)c1O ZINC000901128588 620754397 /nfs/dbraw/zinc/75/43/97/620754397.db2.gz YKWIQTKCMYSPNZ-LCYFTJDESA-N 0 0 279.311 2.671 20 10 CFCDRN CCOCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000120815555 617825655 /nfs/dbraw/zinc/82/56/55/617825655.db2.gz JQUWTOFJESXQOL-UHFFFAOYSA-N 0 0 289.331 2.551 20 10 CFCDRN CCCc1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1 ZINC000890758152 617836148 /nfs/dbraw/zinc/83/61/48/617836148.db2.gz RWIRPMXBDUUYBO-UHFFFAOYSA-N 0 0 293.754 2.651 20 10 CFCDRN COCC(C)(C)CC(=O)NCc1cccc(Cl)c1O ZINC000890760986 617840218 /nfs/dbraw/zinc/84/02/18/617840218.db2.gz HMJDNFGLJMUUTL-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccccn1 ZINC000042411706 620757372 /nfs/dbraw/zinc/75/73/72/620757372.db2.gz ULZGOMCIRHGPNQ-UHFFFAOYSA-N 0 0 293.164 2.840 20 10 CFCDRN O=C(NCc1cc(Br)ccc1O)C1CCCC1 ZINC000804739174 617858186 /nfs/dbraw/zinc/85/81/86/617858186.db2.gz UAYDGJZBSWXBPN-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN CC(C)(C)C(=O)NCc1cc(Br)ccc1O ZINC000804738835 617858367 /nfs/dbraw/zinc/85/83/67/617858367.db2.gz GORBWJDLJMPSKE-UHFFFAOYSA-N 0 0 286.169 2.817 20 10 CFCDRN C/C=C(\C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000176311907 617893213 /nfs/dbraw/zinc/89/32/13/617893213.db2.gz ASPKOVLHWXXCBF-QLKAYGNNSA-N 0 0 290.432 2.822 20 10 CFCDRN Cc1cccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1 ZINC000121276912 617906392 /nfs/dbraw/zinc/90/63/92/617906392.db2.gz PORGPPBYUDXAMH-UHFFFAOYSA-N 0 0 298.342 2.799 20 10 CFCDRN COc1ccc(N(C)Cc2snnc2C)cc1OC ZINC000844282911 617922662 /nfs/dbraw/zinc/92/26/62/617922662.db2.gz XEDNHGDCXSLJMS-UHFFFAOYSA-N 0 0 279.365 2.500 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 ZINC000255145716 618006844 /nfs/dbraw/zinc/00/68/44/618006844.db2.gz TYEUHZKURWMELO-SREVYHEPSA-N 0 0 268.316 2.772 20 10 CFCDRN Cc1cc(CNCc2cc(Cl)ccc2O)no1 ZINC000044692337 618035467 /nfs/dbraw/zinc/03/54/67/618035467.db2.gz DTAFCFZPMBDADY-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN COc1cc(F)ccc1NC(=O)Cc1ccc(N)cc1 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ZINC000187699528 618146617 /nfs/dbraw/zinc/14/66/17/618146617.db2.gz IBIRGDDLQOLEAZ-NEPJUHHUSA-N 0 0 277.364 2.843 20 10 CFCDRN CCn1c(C)cc(/C=C2\SC(=S)N(C)C2=O)c1C ZINC000077448557 618158633 /nfs/dbraw/zinc/15/86/33/618158633.db2.gz JNUCQCAEBQKDTD-XFFZJAGNSA-N 0 0 280.418 2.956 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000934935595 618160577 /nfs/dbraw/zinc/16/05/77/618160577.db2.gz KRGAIKUCXYXSIL-XYYAHUGASA-N 0 0 259.349 2.835 20 10 CFCDRN CCn1cnc2c1CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC000933254477 618177621 /nfs/dbraw/zinc/17/76/21/618177621.db2.gz CJVDVMHFZROJHQ-UHFFFAOYSA-N 0 0 298.434 2.836 20 10 CFCDRN COCc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000255336126 618203569 /nfs/dbraw/zinc/20/35/69/618203569.db2.gz XUDVYTNYQWHQLM-YRNVUSSQSA-N 0 0 279.386 2.664 20 10 CFCDRN COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C ZINC000280268802 618230154 /nfs/dbraw/zinc/23/01/54/618230154.db2.gz MJYZIKNBYDTNBK-IUODEOHRSA-N 0 0 299.370 2.786 20 10 CFCDRN 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259.321 2.608 20 10 CFCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(O)c2O)C1 ZINC000187191093 618273873 /nfs/dbraw/zinc/27/38/73/618273873.db2.gz YBHKSRZYKGOLMR-WDEREUQCSA-N 0 0 295.404 2.844 20 10 CFCDRN C[C@H]1SCC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894035222 618277442 /nfs/dbraw/zinc/27/74/42/618277442.db2.gz WRNNQNLJYRYPHF-DTWKUNHWSA-N 0 0 273.348 2.996 20 10 CFCDRN C[C@@H]1SCC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894035223 618277659 /nfs/dbraw/zinc/27/76/59/618277659.db2.gz WRNNQNLJYRYPHF-IUCAKERBSA-N 0 0 273.348 2.996 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](CO)C(C)(C)C ZINC000894082849 618306088 /nfs/dbraw/zinc/30/60/88/618306088.db2.gz FUAVQKHXUBJUGJ-GFCCVEGCSA-N 0 0 273.323 2.509 20 10 CFCDRN CCCN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(N)cc1 ZINC000237014273 618366853 /nfs/dbraw/zinc/36/68/53/618366853.db2.gz YXWYVCMHRCRQOZ-INIZCTEOSA-N 0 0 290.407 2.619 20 10 CFCDRN C/C=C/C=C\C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000255865770 618386351 /nfs/dbraw/zinc/38/63/51/618386351.db2.gz IVYIIEFPEJTZAS-GIBSVGTRSA-N 0 0 261.321 2.710 20 10 CFCDRN C[C@H]1CCSCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877473953 618391955 /nfs/dbraw/zinc/39/19/55/618391955.db2.gz OKHARERUTGIBDD-VIFPVBQESA-N 0 0 273.348 2.998 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000895150312 618394419 /nfs/dbraw/zinc/39/44/19/618394419.db2.gz JUQWRESOLGLWPO-LBPRGKRZSA-N 0 0 287.762 2.922 20 10 CFCDRN CC(C)n1nccc1NC(=O)N(C)Cc1ccccc1O ZINC000047362974 618402294 /nfs/dbraw/zinc/40/22/94/618402294.db2.gz DNYJXSPNZBXCQA-UHFFFAOYSA-N 0 0 288.351 2.834 20 10 CFCDRN CCCn1nccc1NC(=O)N(C)Cc1ccccc1O ZINC000047391810 618411096 /nfs/dbraw/zinc/41/10/96/618411096.db2.gz RREIZWWZTUHWAZ-UHFFFAOYSA-N 0 0 288.351 2.663 20 10 CFCDRN O=C(NCCC(F)(F)F)NCc1cccc(Cl)c1O ZINC000893337953 618412334 /nfs/dbraw/zinc/41/23/34/618412334.db2.gz HKTARLVKJORSRK-UHFFFAOYSA-N 0 0 296.676 2.797 20 10 CFCDRN [O-]c1c(C[NH+]2CC3(CC(F)C3)C2)ccc(F)c1F ZINC000877581334 618440264 /nfs/dbraw/zinc/44/02/64/618440264.db2.gz XNJDZQHAHVGWOP-UHFFFAOYSA-N 0 0 257.255 2.604 20 10 CFCDRN CCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000034463643 618442859 /nfs/dbraw/zinc/44/28/59/618442859.db2.gz ULPIXLKKVGJPCT-SOFGYWHQSA-N 0 0 250.294 2.844 20 10 CFCDRN Cc1ccc(C(=O)Nc2cccc(F)c2)c(O)c1O ZINC000177667490 618470383 /nfs/dbraw/zinc/47/03/83/618470383.db2.gz VZXJTIPOGHDBRZ-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3ccccc32)c(O)c1O ZINC000177667555 618470524 /nfs/dbraw/zinc/47/05/24/618470524.db2.gz BPWKEYKMGPHPJI-UHFFFAOYSA-N 0 0 269.300 2.609 20 10 CFCDRN CN(Cc1nnc(C(C)(C)C)o1)c1ccc2c(c1)OCO2 ZINC000121280600 618492618 /nfs/dbraw/zinc/49/26/18/618492618.db2.gz KLUFEWAUPVPZRI-UHFFFAOYSA-N 0 0 289.335 2.732 20 10 CFCDRN CCOc1ccc(O)c(CN2c3ccccc3C[C@H]2CO)c1 ZINC000895245156 618495260 /nfs/dbraw/zinc/49/52/60/618495260.db2.gz WLHBSADNBUPBCX-HNNXBMFYSA-N 0 0 299.370 2.715 20 10 CFCDRN COc1cc(Cl)cc(CN2CC[C@H]2C(F)F)c1O ZINC000895430122 618578616 /nfs/dbraw/zinc/57/86/16/618578616.db2.gz BMCHFFZAEFXOOO-VIFPVBQESA-N 0 0 277.698 2.894 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CC[C@H]1C(F)F ZINC000895431665 618579233 /nfs/dbraw/zinc/57/92/33/618579233.db2.gz OXVKQAHZSWNZLL-ZDUSSCGKSA-N 0 0 254.324 2.900 20 10 CFCDRN CCC1([NH+](C)C)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895442544 618589077 /nfs/dbraw/zinc/58/90/77/618589077.db2.gz BMDVVGITDWKMEX-UHFFFAOYSA-N 0 0 298.377 2.977 20 10 CFCDRN CN(C)c1cc(NCCCSc2nccs2)ncn1 ZINC000892515221 618604638 /nfs/dbraw/zinc/60/46/38/618604638.db2.gz JDDFREJBNSUAOE-UHFFFAOYSA-N 0 0 295.437 2.593 20 10 CFCDRN O=C(NCCC1CC=CC1)N1Cc2cccc(O)c2C1 ZINC000926727660 618607280 /nfs/dbraw/zinc/60/72/80/618607280.db2.gz MSLXQHMRGXVANQ-UHFFFAOYSA-N 0 0 272.348 2.774 20 10 CFCDRN O=C(NCc1ccccc1O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000892527870 618609497 /nfs/dbraw/zinc/60/94/97/618609497.db2.gz ZQRBEVBFMAQCMZ-YHWZYXNKSA-N 0 0 292.404 2.618 20 10 CFCDRN CC1(C)CCC[C@@H](CNC(=O)NCc2ccccc2O)O1 ZINC000892527009 618610189 /nfs/dbraw/zinc/61/01/89/618610189.db2.gz 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WYOIBHHZKLPOIU-DAXSKMNVSA-N 0 0 281.787 2.613 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc(C)o2)c1 ZINC000182411738 625296094 /nfs/dbraw/zinc/29/60/94/625296094.db2.gz AJCCIXLXPRIYGV-BDAKNGLRSA-N 0 0 277.324 2.504 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)c(O)c1O ZINC000182421764 625298717 /nfs/dbraw/zinc/29/87/17/625298717.db2.gz IKMMBTUXSJUPTB-CYBMUJFWSA-N 0 0 297.354 2.866 20 10 CFCDRN CCN(Cc1ccccn1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181173965 618873269 /nfs/dbraw/zinc/87/32/69/618873269.db2.gz BKVKIROZDCVWHX-VQHVLOKHSA-N 0 0 298.342 2.555 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000066822704 618912114 /nfs/dbraw/zinc/91/21/14/618912114.db2.gz PAKGEHDSWAYLCT-CYBMUJFWSA-N 0 0 292.448 2.902 20 10 CFCDRN COc1ccc(CN(C)c2ccc(OC)c(OC)c2)o1 ZINC000893571819 619075501 /nfs/dbraw/zinc/07/55/01/619075501.db2.gz AVGHUOMGXNOOQJ-UHFFFAOYSA-N 0 0 277.320 2.942 20 10 CFCDRN Cc1nnc(CNCc2c(O)cc(C)cc2Cl)s1 ZINC000840936503 619077522 /nfs/dbraw/zinc/07/75/22/619077522.db2.gz KHTMRWNZYKJSJU-UHFFFAOYSA-N 0 0 283.784 2.804 20 10 CFCDRN CCc1ncc(CN(C)c2ccc(OC)c(OC)c2)cn1 ZINC000840938379 619078149 /nfs/dbraw/zinc/07/81/49/619078149.db2.gz CQVBNJRADASLHQ-UHFFFAOYSA-N 0 0 287.363 2.693 20 10 CFCDRN COc1ccc(C[NH2+]CC(C)(C)CC(=O)[O-])cc1C ZINC000258878006 619088281 /nfs/dbraw/zinc/08/82/81/619088281.db2.gz LRONBQSVCLVLIW-UHFFFAOYSA-N 0 0 265.353 2.594 20 10 CFCDRN COC1(C)CN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840945134 619104013 /nfs/dbraw/zinc/10/40/13/619104013.db2.gz ASHHVUJLDHAREL-UHFFFAOYSA-N 0 0 255.745 2.575 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccnc2ccccc21 ZINC000182534814 625325177 /nfs/dbraw/zinc/32/51/77/625325177.db2.gz JIKQMFXIHLTTBD-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN CCc1noc(CC)c1CC(=O)Nc1ccc(N)cc1 ZINC000237079727 619202656 /nfs/dbraw/zinc/20/26/56/619202656.db2.gz FKROZKPMXCQAHO-UHFFFAOYSA-N 0 0 273.336 2.563 20 10 CFCDRN Cc1ccnc(N)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000893864189 619230657 /nfs/dbraw/zinc/23/06/57/619230657.db2.gz SFXVFKGDOIWBGZ-UHFFFAOYSA-N 0 0 284.407 2.670 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924899524 619269474 /nfs/dbraw/zinc/26/94/74/619269474.db2.gz FPSQGMVZZCRRRM-VGPLMAKISA-N 0 0 294.376 2.817 20 10 CFCDRN CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000047654987 619271542 /nfs/dbraw/zinc/27/15/42/619271542.db2.gz MMWWFCXMZMJQGP-UHFFFAOYSA-N 0 0 260.312 2.983 20 10 CFCDRN CO[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000832437039 625336058 /nfs/dbraw/zinc/33/60/58/625336058.db2.gz WOOOTFXRJAYACN-DUVNUKRYSA-N 0 0 290.407 2.745 20 10 CFCDRN CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)C1=CC(=O)CS1 ZINC000928311490 619343033 /nfs/dbraw/zinc/34/30/33/619343033.db2.gz RCAJUHGHKXORRJ-KOLCDFICSA-N 0 0 299.392 2.551 20 10 CFCDRN COc1cc(C)cc(CNc2cnn(CC3CC3)c2)c1O ZINC000894365100 619352426 /nfs/dbraw/zinc/35/24/26/619352426.db2.gz UIDXAUXHUSIFEP-UHFFFAOYSA-N 0 0 287.363 2.928 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000894421954 619382888 /nfs/dbraw/zinc/38/28/88/619382888.db2.gz YQNGMFHVHSOSNL-HZMBPMFUSA-N 0 0 285.334 2.653 20 10 CFCDRN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894533590 619411599 /nfs/dbraw/zinc/41/15/99/619411599.db2.gz TYVTYSHPXVAWOG-GPCCPHFNSA-N 0 0 285.334 2.652 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C[C@H]1C1CC1 ZINC000894570402 619421341 /nfs/dbraw/zinc/42/13/41/619421341.db2.gz ZKQRMAQCCRFCDP-CMPLNLGQSA-N 0 0 280.755 2.643 20 10 CFCDRN COC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000894601970 619425875 /nfs/dbraw/zinc/42/58/75/619425875.db2.gz VERRTTSPHRQQRE-UHFFFAOYSA-N 0 0 299.317 2.636 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000894697917 619446665 /nfs/dbraw/zinc/44/66/65/619446665.db2.gz QDKZQQRTCFBBOE-OAHLLOKOSA-N 0 0 283.318 2.673 20 10 CFCDRN CCCC[N@H+](CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894777090 619463046 /nfs/dbraw/zinc/46/30/46/619463046.db2.gz MSJYSBOKOHBLCF-UHFFFAOYSA-N 0 0 273.323 2.655 20 10 CFCDRN Cc1nnc([C@H](C)NCc2c(O)cc(C)cc2Cl)[nH]1 ZINC000894779433 619463962 /nfs/dbraw/zinc/46/39/62/619463962.db2.gz YDRFZXOLQKLIDA-QMMMGPOBSA-N 0 0 280.759 2.631 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C1CCC(CO)CC1 ZINC000894783169 619466377 /nfs/dbraw/zinc/46/63/77/619466377.db2.gz PXQNIXBSZLOKTC-UHFFFAOYSA-N 0 0 285.334 2.653 20 10 CFCDRN O=c1[nH]c(CSc2nccs2)nc2ccccc21 ZINC000048874382 619479810 /nfs/dbraw/zinc/47/98/10/619479810.db2.gz HFFYTBIYIITREV-UHFFFAOYSA-N 0 0 275.358 2.672 20 10 CFCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1O ZINC000163145982 619485701 /nfs/dbraw/zinc/48/57/01/619485701.db2.gz LFZGAYSTUVIIIP-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894901997 619506874 /nfs/dbraw/zinc/50/68/74/619506874.db2.gz IGTTTYFDJQEKTB-NOZJJQNGSA-N 0 0 271.307 2.527 20 10 CFCDRN CC1(C)C[C@H](O)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894916312 619512526 /nfs/dbraw/zinc/51/25/26/619512526.db2.gz FAEYFDGWTYBLTI-GFCCVEGCSA-N 0 0 285.334 2.653 20 10 CFCDRN COC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1 ZINC000841299578 619540882 /nfs/dbraw/zinc/54/08/82/619540882.db2.gz JEGZRLHVWZXFIC-ZDUSSCGKSA-N 0 0 289.335 2.679 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895573196 619557069 /nfs/dbraw/zinc/55/70/69/619557069.db2.gz OHXKLSPRVQQOKZ-MRVPVSSYSA-N 0 0 261.699 2.976 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cn1 ZINC000795342623 619564969 /nfs/dbraw/zinc/56/49/69/619564969.db2.gz ABMJOJCNNCJQFG-UHFFFAOYSA-N 0 0 298.751 2.550 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1Cl ZINC000895780309 619608904 /nfs/dbraw/zinc/60/89/04/619608904.db2.gz GHGKHKPYOGCJRT-SUHUHFCYSA-N 0 0 281.783 2.557 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc(F)c1F ZINC000895841352 619616982 /nfs/dbraw/zinc/61/69/82/619616982.db2.gz BSNIVBMPHRVPDT-ZWNOBZJWSA-N 0 0 283.318 2.671 20 10 CFCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1c(O)cccc1F ZINC000895832152 619619025 /nfs/dbraw/zinc/61/90/25/619619025.db2.gz CBYVZJCCSUUAAJ-UHFFFAOYSA-N 0 0 294.286 2.576 20 10 CFCDRN Oc1cccc(F)c1CNc1ccc(N2CCCC2)nn1 ZINC000895832612 619619215 /nfs/dbraw/zinc/61/92/15/619619215.db2.gz IVVWZRJVFRVEMZ-UHFFFAOYSA-N 0 0 288.326 2.534 20 10 CFCDRN CCc1cc(NCc2c(O)cccc2F)nc(C)n1 ZINC000895832904 619619227 /nfs/dbraw/zinc/61/92/27/619619227.db2.gz QBCYDFZFUYOSAP-UHFFFAOYSA-N 0 0 261.300 2.804 20 10 CFCDRN Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)no1 ZINC000896237776 619701846 /nfs/dbraw/zinc/70/18/46/619701846.db2.gz OKDJOJRGQXJKAN-LLVKDONJSA-N 0 0 293.754 2.727 20 10 CFCDRN Cc1ccc(C[NH+]2CCC(c3ccn(C)n3)CC2)c(O)c1 ZINC000896494358 619748700 /nfs/dbraw/zinc/74/87/00/619748700.db2.gz IGPOBPRSTPTEPY-UHFFFAOYSA-N 0 0 285.391 2.814 20 10 CFCDRN CCO[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896642379 619777554 /nfs/dbraw/zinc/77/75/54/619777554.db2.gz QLMGFGAKWJWTJX-RYUDHWBXSA-N 0 0 267.344 2.969 20 10 CFCDRN COc1cccc(C[C@@H](C)[NH2+]Cc2c([O-])cccc2F)n1 ZINC000896636477 619779726 /nfs/dbraw/zinc/77/97/26/619779726.db2.gz DCLDSFGOHJXJNC-LLVKDONJSA-N 0 0 290.338 2.656 20 10 CFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)[C@@H]1SC ZINC000896636847 619779929 /nfs/dbraw/zinc/77/99/29/619779929.db2.gz FMLWNQIQXKJCTF-BNOWGMLFSA-N 0 0 285.384 2.530 20 10 CFCDRN CCCC[C@@H](COC)[NH2+]Cc1c([O-])cccc1F ZINC000896637348 619780628 /nfs/dbraw/zinc/78/06/28/619780628.db2.gz MNEFYIDQFMYVMD-NSHDSACASA-N 0 0 255.333 2.826 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896638521 619780898 /nfs/dbraw/zinc/78/08/98/619780898.db2.gz VNXJUPBZTBTWMT-NHYWBVRUSA-N 0 0 267.344 2.825 20 10 CFCDRN Cc1ncc([C@H](C)[NH2+]Cc2c([O-])cccc2F)c(C)n1 ZINC000896640329 619781489 /nfs/dbraw/zinc/78/14/89/619781489.db2.gz HDNWJKPVKUXUMF-VIFPVBQESA-N 0 0 275.327 2.789 20 10 CFCDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1OC ZINC000896641900 619782227 /nfs/dbraw/zinc/78/22/27/619782227.db2.gz VAIPUUHNLWHDJB-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN O=C(N[C@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000896699704 619789789 /nfs/dbraw/zinc/78/97/89/619789789.db2.gz GAVDLGQHYPDTAC-QMMMGPOBSA-N 0 0 295.385 2.548 20 10 CFCDRN CSCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000896937457 619900547 /nfs/dbraw/zinc/90/05/47/619900547.db2.gz UMJROYKYNDIDKK-UHFFFAOYSA-N 0 0 251.395 2.967 20 10 CFCDRN CCO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000897067138 619924558 /nfs/dbraw/zinc/92/45/58/619924558.db2.gz DVTMRHMJQMDMGZ-LBPRGKRZSA-N 0 0 284.350 2.642 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C(F)=C1CCCC1 ZINC000928706212 619995835 /nfs/dbraw/zinc/99/58/35/619995835.db2.gz SWPGMUIRRKDGOK-UHFFFAOYSA-N 0 0 267.275 2.945 20 10 CFCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1c(O)cccc1F ZINC000928707129 619995864 /nfs/dbraw/zinc/99/58/64/619995864.db2.gz APHJGHGWAHBWEI-VIFPVBQESA-N 0 0 287.281 2.973 20 10 CFCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1c(O)cccc1F ZINC000928707705 619996214 /nfs/dbraw/zinc/99/62/14/619996214.db2.gz GYDIOPYFOIRGEW-MNOVXSKESA-N 0 0 265.328 2.974 20 10 CFCDRN CCOC(=O)c1cnc(SCc2cc(C)on2)s1 ZINC000897334642 619999124 /nfs/dbraw/zinc/99/91/24/619999124.db2.gz YWPQWFMAMBTDMW-UHFFFAOYSA-N 0 0 284.362 2.909 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc(F)ccc2O)c(O)c1O ZINC000182912965 625394760 /nfs/dbraw/zinc/39/47/60/625394760.db2.gz ZUZFVGKKQMYZFK-UHFFFAOYSA-N 0 0 277.251 2.503 20 10 CFCDRN CCCC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996848 620109832 /nfs/dbraw/zinc/10/98/32/620109832.db2.gz GYECDXNZARQQCB-MWWKQMNYSA-N 0 0 290.407 2.999 20 10 CFCDRN CC(C)C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840997176 620114480 /nfs/dbraw/zinc/11/44/80/620114480.db2.gz KJVKCZXWLJYPSM-KJPDOMRESA-N 0 0 290.407 2.855 20 10 CFCDRN COc1ccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000263476018 620148572 /nfs/dbraw/zinc/14/85/72/620148572.db2.gz JGZZTEJQJOJNQH-CQSZACIVSA-N 0 0 279.380 2.840 20 10 CFCDRN CCCn1ccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000897538427 620224054 /nfs/dbraw/zinc/22/40/54/620224054.db2.gz KEVCEBKKUYEYET-UHFFFAOYSA-N 0 0 264.350 2.595 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841753900 620236681 /nfs/dbraw/zinc/23/66/81/620236681.db2.gz XRLIYKVPIHXWMA-ZEGGKSINSA-N 0 0 269.772 2.856 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc3c(c2)COC3)c(O)c1O ZINC000182971579 625407660 /nfs/dbraw/zinc/40/76/60/625407660.db2.gz RWYHQUBBAYRSIG-UHFFFAOYSA-N 0 0 285.299 2.689 20 10 CFCDRN Clc1cnc(SC[C@H]2CCc3ncnn32)s1 ZINC000865372866 620242477 /nfs/dbraw/zinc/24/24/77/620242477.db2.gz YKHPPPQVPVRNIL-ZCFIWIBFSA-N 0 0 272.786 2.668 20 10 CFCDRN O=C(NCCCSc1nccs1)c1ccc(F)cn1 ZINC000182965191 625407964 /nfs/dbraw/zinc/40/79/64/625407964.db2.gz OEKSNHLJNMHJNW-UHFFFAOYSA-N 0 0 297.380 2.589 20 10 CFCDRN C[C@@H](F)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897851530 620294130 /nfs/dbraw/zinc/29/41/30/620294130.db2.gz BDPHRSUZDXGISN-SSDOTTSWSA-N 0 0 283.324 2.790 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H]1C ZINC000897853917 620294659 /nfs/dbraw/zinc/29/46/59/620294659.db2.gz PZWWKMHCJZNRRC-SFYZADRCSA-N 0 0 277.345 2.793 20 10 CFCDRN COc1cccc(O)c1CNCc1nc(C(C)(C)C)co1 ZINC000897944451 620308799 /nfs/dbraw/zinc/30/87/99/620308799.db2.gz GIBXJGWBDVSPHO-UHFFFAOYSA-N 0 0 290.363 2.976 20 10 CFCDRN Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1O ZINC000897950857 620309745 /nfs/dbraw/zinc/30/97/45/620309745.db2.gz VDTPXRVIYPIWFN-RHSMWYFYSA-N 0 0 299.370 2.532 20 10 CFCDRN Cn1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])c1C1CC1 ZINC000898215804 620346624 /nfs/dbraw/zinc/34/66/24/620346624.db2.gz RAGXKKFPLBYCKO-UHFFFAOYSA-N 0 0 291.782 2.946 20 10 CFCDRN CCn1cncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219140 620347107 /nfs/dbraw/zinc/34/71/07/620347107.db2.gz VMWPROBMAFVTJN-UHFFFAOYSA-N 0 0 265.744 2.552 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898379039 620376795 /nfs/dbraw/zinc/37/67/95/620376795.db2.gz CBHYUUSKHJJOBQ-ZWNOBZJWSA-N 0 0 285.746 2.699 20 10 CFCDRN CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000927082568 620450380 /nfs/dbraw/zinc/45/03/80/620450380.db2.gz XUZFLXQDFRGTQJ-RISCZKNCSA-N 0 0 299.798 2.892 20 10 CFCDRN C[C@H](NC(=O)NC/C=C\Cl)c1ccccc1O ZINC000899031820 620516831 /nfs/dbraw/zinc/51/68/31/620516831.db2.gz JIMVLVTWLQBXMI-WYDVEAGSSA-N 0 0 254.717 2.505 20 10 CFCDRN O=C(C[C@H]1CCC2(CCC2)O1)N1Cc2cccc(O)c2C1 ZINC000899172606 620528610 /nfs/dbraw/zinc/52/86/10/620528610.db2.gz CWVAYLSIBDNKLB-CYBMUJFWSA-N 0 0 287.359 2.726 20 10 CFCDRN O=C(NC[C@@H]1CCC2(CCC2)CO1)C1=CC(=O)CS1 ZINC000899467627 620573207 /nfs/dbraw/zinc/57/32/07/620573207.db2.gz RXOLKORNRSWINR-NSHDSACASA-N 0 0 281.377 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cnc(C)nc1 ZINC000902204303 620997565 /nfs/dbraw/zinc/99/75/65/620997565.db2.gz GZIKBGKPKWPMCY-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN Cc1ncc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000902205208 620997848 /nfs/dbraw/zinc/99/78/48/620997848.db2.gz SZPZHFNYQNWIJN-UHFFFAOYSA-N 0 0 278.306 2.741 20 10 CFCDRN C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1c([O-])cccc1F ZINC000903257548 621300981 /nfs/dbraw/zinc/30/09/81/621300981.db2.gz HDVMQDKNOJTLMX-NSHDSACASA-N 0 0 279.355 2.877 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(F)cc1[O-] ZINC000903286081 621317850 /nfs/dbraw/zinc/31/78/50/621317850.db2.gz AVYXBNPVGLVGCN-XDJSOMLNSA-N 0 0 277.339 2.748 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(F)cc1[O-] ZINC000903286080 621318078 /nfs/dbraw/zinc/31/80/78/621318078.db2.gz AVYXBNPVGLVGCN-GNIGRLLJSA-N 0 0 277.339 2.748 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1cccc(Cl)c1[O-] ZINC000903317795 621330477 /nfs/dbraw/zinc/33/04/77/621330477.db2.gz NCLWQHZBQJIYJZ-ZWNOBZJWSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000903402687 621369180 /nfs/dbraw/zinc/36/91/80/621369180.db2.gz GDCBHQQTZXDVHP-GFCCVEGCSA-N 0 0 289.350 2.917 20 10 CFCDRN CC1(C)CO[C@H](Cc2nc(Cc3ccc(N)cc3)no2)C1 ZINC000904077790 621517752 /nfs/dbraw/zinc/51/77/52/621517752.db2.gz GYNNPQIQLYINDL-CYBMUJFWSA-N 0 0 287.363 2.600 20 10 CFCDRN CC1(CCc2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000904504587 621603179 /nfs/dbraw/zinc/60/31/79/621603179.db2.gz PQKHSGAFZUDSIO-UHFFFAOYSA-N 0 0 257.337 2.975 20 10 CFCDRN CCOc1ccccc1NC[C@H](O)CC1(CO)CCCC1 ZINC000905294647 621733748 /nfs/dbraw/zinc/73/37/48/621733748.db2.gz IGRNPOWGBNDDCP-CQSZACIVSA-N 0 0 293.407 2.801 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000905449868 621767367 /nfs/dbraw/zinc/76/73/67/621767367.db2.gz ZDBHYHPVFMZJIM-XJKSGUPXSA-N 0 0 290.407 2.526 20 10 CFCDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1O ZINC000183662121 625525188 /nfs/dbraw/zinc/52/51/88/625525188.db2.gz ISZIDAOFANLAOW-LLVKDONJSA-N 0 0 298.342 2.921 20 10 CFCDRN CCc1nc[nH]c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000906112497 621931961 /nfs/dbraw/zinc/93/19/61/621931961.db2.gz OCIQIOOAMLBALX-UHFFFAOYSA-N 0 0 298.390 2.502 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCOC2(CCCC2)C1 ZINC000907055677 622080606 /nfs/dbraw/zinc/08/06/06/622080606.db2.gz GUONAAOSKRXNCL-ZDUSSCGKSA-N 0 0 289.375 2.748 20 10 CFCDRN Cc1cc(C(=O)N2CC=CC2)c(C)n1-c1ccccn1 ZINC000910003638 622386653 /nfs/dbraw/zinc/38/66/53/622386653.db2.gz JWQFDPDPUAEYRJ-UHFFFAOYSA-N 0 0 267.332 2.501 20 10 CFCDRN Cc1cc(C(=O)NC(CF)CF)c(C)n1-c1ccccn1 ZINC000833434174 625567154 /nfs/dbraw/zinc/56/71/54/625567154.db2.gz NYGPFZOKPYJRGE-UHFFFAOYSA-N 0 0 293.317 2.527 20 10 CFCDRN CCC[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910949174 622488747 /nfs/dbraw/zinc/48/87/47/622488747.db2.gz GRUNNHMQQLIZSQ-ZDUSSCGKSA-N 0 0 265.353 2.786 20 10 CFCDRN CCCCS[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910951711 622489248 /nfs/dbraw/zinc/48/92/48/622489248.db2.gz MBKVTRWBVKTUTB-JTQLQIEISA-N 0 0 283.393 2.636 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC=CCCC1 ZINC000910957079 622489723 /nfs/dbraw/zinc/48/97/23/622489723.db2.gz OWQKMCIEXLJXOP-LBPRGKRZSA-N 0 0 275.348 2.851 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(O)cc1O ZINC000910942647 622491187 /nfs/dbraw/zinc/49/11/87/622491187.db2.gz GYRXDBKASLXHDG-AWEZNQCLSA-N 0 0 269.316 2.632 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944055 622491280 /nfs/dbraw/zinc/49/12/80/622491280.db2.gz JXJNPBMYOFHURL-MFKMUULPSA-N 0 0 263.337 2.540 20 10 CFCDRN CC1=C(C)C[C@H](C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944139 622491317 /nfs/dbraw/zinc/49/13/17/622491317.db2.gz LKWOJDVPONYDNX-GFCCVEGCSA-N 0 0 275.348 2.851 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccc(O)cc2O)s1 ZINC000910944479 622491939 /nfs/dbraw/zinc/49/19/39/622491939.db2.gz MUCFINHDRCZKQR-UHFFFAOYSA-N 0 0 291.372 2.717 20 10 CFCDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(O)cc1O ZINC000910947468 622492136 /nfs/dbraw/zinc/49/21/36/622492136.db2.gz FKXMQSONTUYMTM-WDEREUQCSA-N 0 0 263.337 2.540 20 10 CFCDRN CC[NH+](CC)Cc1cccc(Br)c1[O-] ZINC000100692609 625575209 /nfs/dbraw/zinc/57/52/09/625575209.db2.gz GDHAIZHPAMZLHH-UHFFFAOYSA-N 0 0 258.159 2.997 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C(/C)Cl)cc1 ZINC000911893335 622572237 /nfs/dbraw/zinc/57/22/37/622572237.db2.gz QQUCBJNNSBIVGC-QXMHVHEDSA-N 0 0 296.798 2.732 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC000840403137 622650440 /nfs/dbraw/zinc/65/04/40/622650440.db2.gz RIKLWAPUSKEKFW-KDOFPFPSSA-N 0 0 297.354 2.908 20 10 CFCDRN CCOc1ccc(N(C)Cc2cn3cccnc3n2)cc1 ZINC000150732857 622718451 /nfs/dbraw/zinc/71/84/51/622718451.db2.gz DSCHWMMPOFFYHY-UHFFFAOYSA-N 0 0 282.347 2.764 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000150731489 622718570 /nfs/dbraw/zinc/71/85/70/622718570.db2.gz NARMJGHASGOXFD-CYBMUJFWSA-N 0 0 278.396 2.682 20 10 CFCDRN O=C(Nc1cnn([C@H]2CCCCO2)c1)C1=CC(=O)CS1 ZINC000912564205 622744513 /nfs/dbraw/zinc/74/45/13/622744513.db2.gz VRJHWWADRXHWAC-GFCCVEGCSA-N 0 0 293.348 2.602 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(N(C)C)cn2)c1 ZINC000150912356 622769261 /nfs/dbraw/zinc/76/92/61/622769261.db2.gz INNLZZVKANGGMY-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN Cc1nnsc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000820851172 622775059 /nfs/dbraw/zinc/77/50/59/622775059.db2.gz JPQBRQQPJWPLBH-UHFFFAOYSA-N 0 0 276.409 2.545 20 10 CFCDRN CC(C)OC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000820879934 622781077 /nfs/dbraw/zinc/78/10/77/622781077.db2.gz VDJHIKMTMXIPOH-UHFFFAOYSA-N 0 0 277.364 2.698 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2nccs2)c1 ZINC000913000422 622816090 /nfs/dbraw/zinc/81/60/90/622816090.db2.gz IZUYYSOIWLQMMZ-UHFFFAOYSA-N 0 0 290.388 2.751 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC(=O)O1 ZINC000821069214 622839948 /nfs/dbraw/zinc/83/99/48/622839948.db2.gz DMHABLDYBYHFCD-LBPRGKRZSA-N 0 0 288.372 2.885 20 10 CFCDRN CC(C)(C)c1cnc(SCC(C)(CO)CO)s1 ZINC000821085012 622844566 /nfs/dbraw/zinc/84/45/66/622844566.db2.gz VPCFHDJTJWHOPA-UHFFFAOYSA-N 0 0 275.439 2.524 20 10 CFCDRN CCC[C@@H](C)CS(=O)(=O)N(C)Cc1ccccc1O ZINC000151261077 622876475 /nfs/dbraw/zinc/87/64/75/622876475.db2.gz UVVMVJQFNWQEPA-GFCCVEGCSA-N 0 0 285.409 2.590 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)nc1F ZINC000821477298 622930611 /nfs/dbraw/zinc/93/06/11/622930611.db2.gz RKMJEIVRBLFOAL-UHFFFAOYSA-N 0 0 293.273 2.729 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000224858952 623017668 /nfs/dbraw/zinc/01/76/68/623017668.db2.gz CDPNDZMMHHNOJZ-LBPRGKRZSA-N 0 0 283.780 2.930 20 10 CFCDRN CCC(C)(C)[C@@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000822082387 623030895 /nfs/dbraw/zinc/03/08/95/623030895.db2.gz MARBKMJWYPQPCU-WFASDCNBSA-N 0 0 292.423 2.727 20 10 CFCDRN CC(C)CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483261 623050126 /nfs/dbraw/zinc/05/01/26/623050126.db2.gz RRXBKJHUZISEKX-UHFFFAOYSA-N 0 0 275.396 2.524 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(F)ccc1O ZINC000227464631 623110582 /nfs/dbraw/zinc/11/05/82/623110582.db2.gz RDUXYRKMLWAPQC-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN CN1CCN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000227515901 623111392 /nfs/dbraw/zinc/11/13/92/623111392.db2.gz KAWWZUZTRYVHMV-UHFFFAOYSA-N 0 0 272.323 2.988 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000822497763 623115978 /nfs/dbraw/zinc/11/59/78/623115978.db2.gz LDJPBFJSOBOXQI-NWDGAFQWSA-N 0 0 292.335 2.587 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@@H](OC)C1CC1 ZINC000822575032 623129135 /nfs/dbraw/zinc/12/91/35/623129135.db2.gz JPIHWPNGOFCCQI-MRXNPFEDSA-N 0 0 261.365 2.873 20 10 CFCDRN C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000228085550 623130213 /nfs/dbraw/zinc/13/02/13/623130213.db2.gz VLQMBIPQAMDYHZ-SFYZADRCSA-N 0 0 278.179 2.948 20 10 CFCDRN C[C@@H]1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000228736234 623160016 /nfs/dbraw/zinc/16/00/16/623160016.db2.gz XBGVYASTMOOMCS-MNOVXSKESA-N 0 0 263.337 2.654 20 10 CFCDRN Cc1cc(CN2Cc3cccnc3C2)ccc1N(C)C ZINC000822996459 623216444 /nfs/dbraw/zinc/21/64/44/623216444.db2.gz MWNNWIYOUZANNR-UHFFFAOYSA-N 0 0 267.376 2.972 20 10 CFCDRN CCC(=O)C1(C(=O)NCCCSc2nccs2)CC1 ZINC000823297699 623287317 /nfs/dbraw/zinc/28/73/17/623287317.db2.gz HDXPXUFIYNWMAX-UHFFFAOYSA-N 0 0 298.433 2.501 20 10 CFCDRN CCC[C@@H](OC)C(=O)NCCCSc1nccs1 ZINC000823298447 623287457 /nfs/dbraw/zinc/28/74/57/623287457.db2.gz RZXXTVFXRMKWDU-SNVBAGLBSA-N 0 0 288.438 2.557 20 10 CFCDRN CC1(C2(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)CC1 ZINC000823415667 623312160 /nfs/dbraw/zinc/31/21/60/623312160.db2.gz BKGXWUZUMUMVKY-UHFFFAOYSA-N 0 0 286.335 2.912 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CCC2)c1 ZINC000173132336 623335294 /nfs/dbraw/zinc/33/52/94/623335294.db2.gz GCXQOWMNKMSPAY-SNVBAGLBSA-N 0 0 263.337 2.768 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000173580629 623359226 /nfs/dbraw/zinc/35/92/26/623359226.db2.gz VQAVLYCSYOLNBX-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN Fc1cc(CNCc2ccc3c(c2)CCO3)c(F)cn1 ZINC000823753244 623392007 /nfs/dbraw/zinc/39/20/07/623392007.db2.gz SJGGLZNTXVWQCD-UHFFFAOYSA-N 0 0 276.286 2.585 20 10 CFCDRN CC(C(=O)NCc1ccc(N(C)C)cc1)=C1CCC1 ZINC000823904568 623416949 /nfs/dbraw/zinc/41/69/49/623416949.db2.gz IMORLNQLLLMREY-UHFFFAOYSA-N 0 0 258.365 2.869 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824338346 623492662 /nfs/dbraw/zinc/49/26/62/623492662.db2.gz UJAHIJSCDUHRCX-QDMKHBRRSA-N 0 0 287.407 2.659 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC000840487069 623499611 /nfs/dbraw/zinc/49/96/11/623499611.db2.gz VATCZNSNHKDKMC-CHWSQXEVSA-N 0 0 286.331 2.683 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c(C2CC2)cnn1C ZINC000824474919 623511297 /nfs/dbraw/zinc/51/12/97/623511297.db2.gz WFUPJFWFDCFWSR-UHFFFAOYSA-N 0 0 283.375 2.869 20 10 CFCDRN CCOc1cccc(CN[C@@H](CC)C(F)F)c1O ZINC000824509229 623513221 /nfs/dbraw/zinc/51/32/21/623513221.db2.gz JQERQTXEGZWPQJ-JTQLQIEISA-N 0 0 259.296 2.924 20 10 CFCDRN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637717 623537627 /nfs/dbraw/zinc/53/76/27/623537627.db2.gz ZJGWBRCJGLXEQF-BXKDBHETSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccoc1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000824676967 623543774 /nfs/dbraw/zinc/54/37/74/623543774.db2.gz YJJNVAWQELHPPP-UHFFFAOYSA-N 0 0 298.386 2.829 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(CF)CCOCC1 ZINC000824690652 623545619 /nfs/dbraw/zinc/54/56/19/623545619.db2.gz KISNGQRFONUJTC-UHFFFAOYSA-N 0 0 291.725 2.793 20 10 CFCDRN CCn1nc(C(=O)N2Cc3cccc(O)c3C2)cc1C1CC1 ZINC000913726524 623569480 /nfs/dbraw/zinc/56/94/80/623569480.db2.gz RCOOEGDTMPEKEJ-UHFFFAOYSA-N 0 0 297.358 2.642 20 10 CFCDRN CCn1nc(C(=O)N[C@@H](C)c2ccccc2O)cc1C1CC1 ZINC000913764030 623581159 /nfs/dbraw/zinc/58/11/59/623581159.db2.gz YSWVIKICDGIDTE-NSHDSACASA-N 0 0 299.374 2.977 20 10 CFCDRN C[C@H](NC(=O)CC(F)(F)C(F)F)c1ccccc1O ZINC000913763711 623581464 /nfs/dbraw/zinc/58/14/64/623581464.db2.gz OVRXIHVSOIPVRB-ZETCQYMHSA-N 0 0 279.233 2.860 20 10 CFCDRN COc1c([O-])c(C[NH2+]C(C)(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000824887120 623583542 /nfs/dbraw/zinc/58/35/42/623583542.db2.gz QKAGODBJLJXBEW-UHFFFAOYSA-N 0 0 294.351 2.977 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2(Nc3ccccc3)CC2)c1 ZINC000824904312 623585765 /nfs/dbraw/zinc/58/57/65/623585765.db2.gz LPJYQKBKOXFTSY-UHFFFAOYSA-N 0 0 296.370 2.962 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000825045734 623615527 /nfs/dbraw/zinc/61/55/27/623615527.db2.gz KENAVXZCGXHJJI-SECBINFHSA-N 0 0 297.761 2.639 20 10 CFCDRN CCC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])COC1 ZINC000825078742 623623586 /nfs/dbraw/zinc/62/35/86/623623586.db2.gz BRMFDQUQRCUVOG-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H](C)C(=O)OC(C)C)cc1 ZINC000825118750 623633477 /nfs/dbraw/zinc/63/34/77/623633477.db2.gz WYNLBHDYIXTDCF-AWEZNQCLSA-N 0 0 292.423 2.963 20 10 CFCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000825283944 623663586 /nfs/dbraw/zinc/66/35/86/623663586.db2.gz AHUCEIFALUNRMT-JTQLQIEISA-N 0 0 264.325 2.969 20 10 CFCDRN CC(C)C[C@@H](C(=O)N1Cc2cccc(O)c2C1)n1ccnc1 ZINC000825356560 623680238 /nfs/dbraw/zinc/68/02/38/623680238.db2.gz YIJZNKNESUNDJM-HNNXBMFYSA-N 0 0 299.374 2.718 20 10 CFCDRN CC(C)OC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000825355872 623680328 /nfs/dbraw/zinc/68/03/28/623680328.db2.gz BWFIYUOWWLCPSX-UHFFFAOYSA-N 0 0 275.348 2.582 20 10 CFCDRN Cc1ccccc1C1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000152491400 623716107 /nfs/dbraw/zinc/71/61/07/623716107.db2.gz YXOOXYOFGNHZPF-UHFFFAOYSA-N 0 0 294.398 2.968 20 10 CFCDRN C[C@H](C1CC1)n1nccc1NC(=O)C1=CC(=O)CS1 ZINC000825575917 623719175 /nfs/dbraw/zinc/71/91/75/623719175.db2.gz UGYMXXZHKNFEBG-MRVPVSSYSA-N 0 0 277.349 2.874 20 10 CFCDRN CCCCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000825981647 623778518 /nfs/dbraw/zinc/77/85/18/623778518.db2.gz WRPGMVATCHDDEI-INIZCTEOSA-N 0 0 292.423 2.618 20 10 CFCDRN Cc1cc(O)c(CNCc2nnc(C(C)C)[nH]2)cc1Cl ZINC000826036403 623785923 /nfs/dbraw/zinc/78/59/23/623785923.db2.gz IDGCJZBHAUWGNZ-UHFFFAOYSA-N 0 0 294.786 2.885 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCc2ccccc2)cc1 ZINC000031726685 623792626 /nfs/dbraw/zinc/79/26/26/623792626.db2.gz FNLQYEFHUMXKKO-UHFFFAOYSA-N 0 0 283.375 2.752 20 10 CFCDRN CC(C)[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000232783895 623795005 /nfs/dbraw/zinc/79/50/05/623795005.db2.gz IJVNPKZKBRBQMX-QGZVFWFLSA-N 0 0 290.407 2.685 20 10 CFCDRN COC(=O)[C@@H](CC1CC1)NCc1cc(Cl)c(C)cc1O ZINC000826120284 623795473 /nfs/dbraw/zinc/79/54/73/623795473.db2.gz 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/nfs/dbraw/zinc/98/53/61/623985361.db2.gz XUDKQUIAJMYMEG-HIJJYWJESA-N 0 0 263.337 2.934 20 10 CFCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(O)c(O)c1 ZINC000827316688 623985874 /nfs/dbraw/zinc/98/58/74/623985874.db2.gz HHALLAVBXBNLDJ-VIFPVBQESA-N 0 0 291.269 2.693 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c2c1CCC2 ZINC000827316480 623986204 /nfs/dbraw/zinc/98/62/04/623986204.db2.gz CYGNLQWPBZGSPD-UHFFFAOYSA-N 0 0 297.354 2.825 20 10 CFCDRN CC(C)Oc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000827331497 623989117 /nfs/dbraw/zinc/98/91/17/623989117.db2.gz CSSYDFDPXIEERA-UHFFFAOYSA-N 0 0 298.386 2.915 20 10 CFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507054 624020644 /nfs/dbraw/zinc/02/06/44/624020644.db2.gz SJQIKWWPJVRWMZ-MWLCHTKSSA-N 0 0 282.181 2.997 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827601675 624042745 /nfs/dbraw/zinc/04/27/45/624042745.db2.gz GWFFOLVEDZFUDW-UWVGGRQHSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@]1(C)CO ZINC000827692860 624065566 /nfs/dbraw/zinc/06/55/66/624065566.db2.gz QWXREDYNEUGALE-LKFCYVNXSA-N 0 0 287.762 2.635 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(C)nc1 ZINC000153685477 624091630 /nfs/dbraw/zinc/09/16/30/624091630.db2.gz KPDMEKGOEMYMGP-UHFFFAOYSA-N 0 0 254.333 2.961 20 10 CFCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827855575 624111957 /nfs/dbraw/zinc/11/19/57/624111957.db2.gz FRQPXCGXBQUXPP-IAQYHMDHSA-N 0 0 275.323 2.743 20 10 CFCDRN C[C@@H](NC(=O)CCc1cccnc1)c1ccccc1O ZINC000827923031 624128599 /nfs/dbraw/zinc/12/85/99/624128599.db2.gz ICWNOFFWUCOYFU-GFCCVEGCSA-N 0 0 270.332 2.597 20 10 CFCDRN C[C@@H](NC(=O)CCc1nccs1)c1ccccc1O ZINC000827930904 624130109 /nfs/dbraw/zinc/13/01/09/624130109.db2.gz UKJJMGASABGSNZ-SNVBAGLBSA-N 0 0 276.361 2.659 20 10 CFCDRN COCCC1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827937298 624132622 /nfs/dbraw/zinc/13/26/22/624132622.db2.gz QZBBVSPOTDRPQP-GFCCVEGCSA-N 0 0 277.364 2.776 20 10 CFCDRN COCCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827941705 624133655 /nfs/dbraw/zinc/13/36/55/624133655.db2.gz WVCIQQDQIJKBAY-VXGBXAGGSA-N 0 0 265.353 2.632 20 10 CFCDRN CC(C)n1cc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000827946281 624134886 /nfs/dbraw/zinc/13/48/86/624134886.db2.gz CIYXLKDPAPDMLJ-LLVKDONJSA-N 0 0 273.336 2.661 20 10 CFCDRN Cc1ccn(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827946491 624135026 /nfs/dbraw/zinc/13/50/26/624135026.db2.gz JWTGEWPTQTVAKM-LLVKDONJSA-N 0 0 258.321 2.530 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)C(C)(F)F)c1ccccc1O ZINC000827952014 624136318 /nfs/dbraw/zinc/13/63/18/624136318.db2.gz CWRZCSPVYPZQGJ-DTWKUNHWSA-N 0 0 257.280 2.861 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827952037 624136976 /nfs/dbraw/zinc/13/69/76/624136976.db2.gz DTDPUOOBNMXUDX-OSAQELSMSA-N 0 0 277.364 2.775 20 10 CFCDRN Cc1cccc2c1O[C@H](C(=O)N[C@H](C)c1ccccc1O)C2 ZINC000827952395 624137003 /nfs/dbraw/zinc/13/70/03/624137003.db2.gz QVJQGPAPPDVYGL-WBMJQRKESA-N 0 0 297.354 2.882 20 10 CFCDRN 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CFCDRN Cc1cc(C2(C(=O)N[C@H](C)c3ccccc3O)CC2)on1 ZINC000827957634 624139787 /nfs/dbraw/zinc/13/97/87/624139787.db2.gz XDQIGLNJJSMADM-LLVKDONJSA-N 0 0 286.331 2.598 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960806 624140401 /nfs/dbraw/zinc/14/04/01/624140401.db2.gz XEUAONCYCFIOOV-FZMZJTMJSA-N 0 0 265.353 2.631 20 10 CFCDRN Cc1ccn([C@H](C)CC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827960464 624140442 /nfs/dbraw/zinc/14/04/42/624140442.db2.gz PMXXQNRFEAUJSY-OLZOCXBDSA-N 0 0 287.363 2.726 20 10 CFCDRN C[C@H](NC(=O)C1SCCCS1)c1ccccc1O ZINC000827960873 624140672 /nfs/dbraw/zinc/14/06/72/624140672.db2.gz YDURHTYBZYJLOM-VIFPVBQESA-N 0 0 283.418 2.766 20 10 CFCDRN C[C@H](NC(=O)c1snnc1C1CC1)c1ccccc1O ZINC000827963807 624140745 /nfs/dbraw/zinc/14/07/45/624140745.db2.gz AXLSVEVROOEKHZ-QMMMGPOBSA-N 0 0 289.360 2.612 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)c1ccccc1O ZINC000827964593 624141309 /nfs/dbraw/zinc/14/13/09/624141309.db2.gz RLSWWYJHYKWOBQ-SGMGOOAPSA-N 0 0 277.364 2.511 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ZINC000759589471 626673808 /nfs/dbraw/zinc/67/38/08/626673808.db2.gz SNBNOVBUWSDXAO-TZNOJPMFSA-N 0 0 285.299 2.810 20 10 CFCDRN CCC(CC)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759595992 626674256 /nfs/dbraw/zinc/67/42/56/626674256.db2.gz SUMPJABLZUAFAM-SOFGYWHQSA-N 0 0 250.294 2.843 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C=CCCC1 ZINC000759595279 626674352 /nfs/dbraw/zinc/67/43/52/626674352.db2.gz JSJRUTQNXKXNIZ-YPUOHESYSA-N 0 0 260.289 2.763 20 10 CFCDRN CC(C)CCOCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759595367 626674363 /nfs/dbraw/zinc/67/43/63/626674363.db2.gz QTQRJKYWHDEJBZ-GQCTYLIASA-N 0 0 294.347 2.717 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC/C(Cl)=C\Cl ZINC000759594136 626674415 /nfs/dbraw/zinc/67/44/15/626674415.db2.gz LMIABHBASJNVIJ-RDFMPNGXSA-N 0 0 289.114 2.973 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC34CCC4)ccc21 ZINC000759767992 626689776 /nfs/dbraw/zinc/68/97/76/626689776.db2.gz LRJJDGHOSSMOOZ-OAHLLOKOSA-N 0 0 284.403 2.875 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cncnc2)cc1 ZINC000760479231 626749364 /nfs/dbraw/zinc/74/93/64/626749364.db2.gz YLUMBGZTQZRFAH-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN Cn1cc([C@@H](NC(=O)C2=CC(=O)CS2)C(C)(C)C)cn1 ZINC000761589999 626848592 /nfs/dbraw/zinc/84/85/92/626848592.db2.gz BXGJLURCRNANNE-GFCCVEGCSA-N 0 0 293.392 2.704 20 10 CFCDRN C[C@H]1COCC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000762485791 626919280 /nfs/dbraw/zinc/91/92/80/626919280.db2.gz KRVHRHBSZJEQJU-GZMMTYOYSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000762649132 626928644 /nfs/dbraw/zinc/92/86/44/626928644.db2.gz MEEQUWNXLYPKTL-RVBZMBCESA-N 0 0 271.307 2.746 20 10 CFCDRN COC(=O)CCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000762787128 626937077 /nfs/dbraw/zinc/93/70/77/626937077.db2.gz NHACZPVBMLMEGA-UHFFFAOYSA-N 0 0 285.771 2.867 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)c(F)c2)ccn1 ZINC000762925171 626951326 /nfs/dbraw/zinc/95/13/26/626951326.db2.gz DEFHDXFILYVTRF-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN COCc1nnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000763356860 626982366 /nfs/dbraw/zinc/98/23/66/626982366.db2.gz ZYOKECJSEFLNNQ-UHFFFAOYSA-N 0 0 292.408 2.671 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000763924425 627022977 /nfs/dbraw/zinc/02/29/77/627022977.db2.gz UZTDBDHJQJXKAE-YMTOWFKASA-N 0 0 297.782 2.763 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCCc1ccncc1 ZINC000764979101 627110161 /nfs/dbraw/zinc/11/01/61/627110161.db2.gz KFZNTBBNHNZTKN-UHFFFAOYSA-N 0 0 297.402 2.979 20 10 CFCDRN NC(=O)c1cccc(CSc2ncc(Cl)s2)n1 ZINC000765060436 627116303 /nfs/dbraw/zinc/11/63/03/627116303.db2.gz KWCQMWRTISLTNV-UHFFFAOYSA-N 0 0 285.781 2.583 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000765926527 627163897 /nfs/dbraw/zinc/16/38/97/627163897.db2.gz GQCXTERQCLLVBD-ZETCQYMHSA-N 0 0 279.283 2.868 20 10 CFCDRN CCC[C@@H]1SCCN1C(=O)C1=CC(=O)CS1 ZINC000766177044 627182606 /nfs/dbraw/zinc/18/26/06/627182606.db2.gz QCSJWBROLGXYPO-JTQLQIEISA-N 0 0 257.380 2.769 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC(C)(C)O ZINC000766270116 627189395 /nfs/dbraw/zinc/18/93/95/627189395.db2.gz QCBJIPUUUMSCMM-UHFFFAOYSA-N 0 0 263.381 2.999 20 10 CFCDRN CC(C)(C)n1ncc2c1ncnc2NCc1ccccc1O ZINC000766404792 627200353 /nfs/dbraw/zinc/20/03/53/627200353.db2.gz QIWIVFXUXHAIFF-UHFFFAOYSA-N 0 0 297.362 2.899 20 10 CFCDRN COc1ccc(CNC(=S)Nc2ccc(F)cc2)nc1 ZINC000766512894 627206802 /nfs/dbraw/zinc/20/68/02/627206802.db2.gz UQGNXSFNKFGWPB-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000766908791 627226406 /nfs/dbraw/zinc/22/64/06/627226406.db2.gz DVCUWNNDSCYQKG-HEHGZKQESA-N 0 0 290.407 2.602 20 10 CFCDRN Cc1c(NC(=O)C2=CC(=O)CS2)cnn1CC(C)C ZINC000767155141 627237317 /nfs/dbraw/zinc/23/73/17/627237317.db2.gz LKVGWDKDXRLPQJ-UHFFFAOYSA-N 0 0 279.365 2.867 20 10 CFCDRN CC(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000767882835 627290883 /nfs/dbraw/zinc/29/08/83/627290883.db2.gz WPDHZMWQYBPBGJ-UHFFFAOYSA-N 0 0 283.327 2.867 20 10 CFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000768523240 627349526 /nfs/dbraw/zinc/34/95/26/627349526.db2.gz DUDVLFRBNFNUGV-CQSZACIVSA-N 0 0 296.386 2.569 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccccc1O)c1ccncc1 ZINC000769000142 627393651 /nfs/dbraw/zinc/39/36/51/627393651.db2.gz CSUKXNQCYKLLIA-LBPRGKRZSA-N 0 0 270.332 2.597 20 10 CFCDRN Cc1nc(NC(=O)N(C)Cc2ccccc2O)cs1 ZINC000769209651 627412330 /nfs/dbraw/zinc/41/23/30/627412330.db2.gz CWKMWHPORBYWQT-UHFFFAOYSA-N 0 0 277.349 2.821 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCC[C@@H]1c1ncon1 ZINC000769233060 627414002 /nfs/dbraw/zinc/41/40/02/627414002.db2.gz QZODZTOXKXBMQN-LLVKDONJSA-N 0 0 279.727 2.766 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(F)c(F)c(F)c1F ZINC000769362244 627428518 /nfs/dbraw/zinc/42/85/18/627428518.db2.gz FKHPEXYMYPUSOY-UHFFFAOYSA-N 0 0 299.223 2.879 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000769513826 627450118 /nfs/dbraw/zinc/45/01/18/627450118.db2.gz FOEGLJWHBVPBIR-HIFRSBDPSA-N 0 0 291.391 2.649 20 10 CFCDRN C[C@H](CCC1CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000769641679 627463346 /nfs/dbraw/zinc/46/33/46/627463346.db2.gz FAMHORFXLBRRII-MXMFLMJRSA-N 0 0 275.348 2.806 20 10 CFCDRN CN(C)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000769865258 627482134 /nfs/dbraw/zinc/48/21/34/627482134.db2.gz GXLXXWNEWFQVSP-UHFFFAOYSA-N 0 0 254.293 2.593 20 10 CFCDRN Cc1ccc(O)c(CNc2cnn(C)c2C2CC2)c1 ZINC000769924214 627488034 /nfs/dbraw/zinc/48/80/34/627488034.db2.gz MRUOMOQNFHKKEZ-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C)cc1 ZINC000770671416 627539773 /nfs/dbraw/zinc/53/97/73/627539773.db2.gz YSDQFLVDAWNTKK-XJKSGUPXSA-N 0 0 290.407 2.574 20 10 CFCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000770746151 627545636 /nfs/dbraw/zinc/54/56/36/627545636.db2.gz KHHPUGRVNROAFP-NSHDSACASA-N 0 0 287.319 2.855 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2cccnc21 ZINC000771814023 627634084 /nfs/dbraw/zinc/63/40/84/627634084.db2.gz FIBINKKZHXEJDQ-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC2CC=CC2)cc1 ZINC000851925197 634592190 /nfs/dbraw/zinc/59/21/90/634592190.db2.gz UQUDCPPGJOARLL-UHFFFAOYSA-N 0 0 275.348 2.641 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]1C(C)C ZINC000772064217 627669472 /nfs/dbraw/zinc/66/94/72/627669472.db2.gz LTYYJQLRHXHRRN-HOTGVXAUSA-N 0 0 274.408 2.969 20 10 CFCDRN C[C@H](Nc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000772299716 627699362 /nfs/dbraw/zinc/69/93/62/627699362.db2.gz GISVMFHUIOXMGI-LBPRGKRZSA-N 0 0 285.395 2.782 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 ZINC000772998271 627766028 /nfs/dbraw/zinc/76/60/28/627766028.db2.gz IWUVZWIBBCUMIR-DAXOMENPSA-N 0 0 290.407 2.887 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000773001345 627767174 /nfs/dbraw/zinc/76/71/74/627767174.db2.gz SQYZIDBTFZWEHV-SMDDNHRTSA-N 0 0 260.381 2.976 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773007746 627767546 /nfs/dbraw/zinc/76/75/46/627767546.db2.gz JAFGLQXOBLLDQF-UMVBOHGHSA-N 0 0 290.407 2.745 20 10 CFCDRN CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773009671 627768521 /nfs/dbraw/zinc/76/85/21/627768521.db2.gz PTJGTSGJPJHKOX-WFASDCNBSA-N 0 0 278.396 2.601 20 10 CFCDRN COC[C@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014947 627769176 /nfs/dbraw/zinc/76/91/76/627769176.db2.gz OBKCCAFZUJXTKS-CHWSQXEVSA-N 0 0 278.396 2.602 20 10 CFCDRN CSC[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016239 627769344 /nfs/dbraw/zinc/76/93/44/627769344.db2.gz UDZNOEODOZNQPB-VXGBXAGGSA-N 0 0 280.437 2.929 20 10 CFCDRN CCCCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773087758 627782191 /nfs/dbraw/zinc/78/21/91/627782191.db2.gz KIPBGPZXHHBYAW-LBPRGKRZSA-N 0 0 284.425 2.533 20 10 CFCDRN C[C@H](NC(=O)N(C)CC1CC1)c1ccc(N(C)C)cc1 ZINC000773617401 627842398 /nfs/dbraw/zinc/84/23/98/627842398.db2.gz MVYDDWFYJFBIOO-LBPRGKRZSA-N 0 0 275.396 2.865 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000773728162 627851917 /nfs/dbraw/zinc/85/19/17/627851917.db2.gz ZOPATGBDPSTEIA-AWEZNQCLSA-N 0 0 297.402 2.910 20 10 CFCDRN CCC/C(C)=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773739469 627853268 /nfs/dbraw/zinc/85/32/68/627853268.db2.gz ALQVMDRDVSPIOG-KGTBHZDVSA-N 0 0 277.364 2.891 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C1CCCC1 ZINC000773767070 627856988 /nfs/dbraw/zinc/85/69/88/627856988.db2.gz JAVQUFQIXDWHDM-RYUDHWBXSA-N 0 0 291.391 2.971 20 10 CFCDRN CCN(C)c1ccc(CN(C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000773766706 627857042 /nfs/dbraw/zinc/85/70/42/627857042.db2.gz UNEWJDVYAJELGH-CQSZACIVSA-N 0 0 292.423 2.915 20 10 CFCDRN CCN(C)c1ccc(CN2CCC[C@H]2c2nncn2C)cc1 ZINC000773822707 627860804 /nfs/dbraw/zinc/86/08/04/627860804.db2.gz SMRBPBMYJHJFPD-INIZCTEOSA-N 0 0 299.422 2.608 20 10 CFCDRN Nc1c(F)cc(Cl)cc1C(=O)NCc1ccccc1O ZINC000774064535 627883140 /nfs/dbraw/zinc/88/31/40/627883140.db2.gz KGZLDSSMDYRVFL-UHFFFAOYSA-N 0 0 294.713 2.697 20 10 CFCDRN CCCCn1cc(CNC(=O)C2=CC(=O)CS2)c(C)n1 ZINC000774347305 627917444 /nfs/dbraw/zinc/91/74/44/627917444.db2.gz VQBVBGWQFUQSJK-UHFFFAOYSA-N 0 0 293.392 2.689 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCC(=O)O2)cc1 ZINC000851985797 634616181 /nfs/dbraw/zinc/61/61/81/634616181.db2.gz RKBUCOHJUHTNGP-CQSZACIVSA-N 0 0 263.337 2.616 20 10 CFCDRN COC[C@H](CN(C)c1ccc(OC(C)C)cc1)OC ZINC000851986036 634616488 /nfs/dbraw/zinc/61/64/88/634616488.db2.gz ZQEFUXNVGISOJP-HNNXBMFYSA-N 0 0 267.369 2.571 20 10 CFCDRN CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774835165 627969452 /nfs/dbraw/zinc/96/94/52/627969452.db2.gz YSVJPWXMLCXBBR-VIFPVBQESA-N 0 0 268.313 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+]Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774941566 627980950 /nfs/dbraw/zinc/98/09/50/627980950.db2.gz JTZZOXRLXGBIBA-UHFFFAOYSA-N 0 0 294.332 2.660 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000775027838 627985405 /nfs/dbraw/zinc/98/54/05/627985405.db2.gz KOEITJAVRFOXMF-SNVBAGLBSA-N 0 0 282.340 2.691 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775097768 627993867 /nfs/dbraw/zinc/99/38/67/627993867.db2.gz MRAAIIIYNUVFAL-ONGXEEELSA-N 0 0 280.324 2.587 20 10 CFCDRN C[C@H](NC(=O)c1cncs1)c1ccc(N(C)C)cc1 ZINC000775409930 628022314 /nfs/dbraw/zinc/02/23/14/628022314.db2.gz INOXZDQXDVHXDZ-JTQLQIEISA-N 0 0 275.377 2.700 20 10 CFCDRN Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775411957 628023332 /nfs/dbraw/zinc/02/33/32/628023332.db2.gz SJNAMIRHIJLMAS-LLVKDONJSA-N 0 0 299.374 2.653 20 10 CFCDRN Cc1nnc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1C ZINC000775448304 628026990 /nfs/dbraw/zinc/02/69/90/628026990.db2.gz LYYNYKBWEVQIHZ-UHFFFAOYSA-N 0 0 297.406 2.723 20 10 CFCDRN CC[C@H](Nc1cnn(CCO)c1)c1cc(Cl)ccc1O ZINC000775541197 628035381 /nfs/dbraw/zinc/03/53/81/628035381.db2.gz SNJLKMJGPSSMFG-ZDUSSCGKSA-N 0 0 295.770 2.798 20 10 CFCDRN Cn1ccnc1-c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000775597246 628044121 /nfs/dbraw/zinc/04/41/21/628044121.db2.gz MMFSSXMSHGCOHT-UHFFFAOYSA-N 0 0 273.317 2.622 20 10 CFCDRN CCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775636482 628048718 /nfs/dbraw/zinc/04/87/18/628048718.db2.gz DDCGSASWMXUZKK-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775713977 628058232 /nfs/dbraw/zinc/05/82/32/628058232.db2.gz XZUWOIZMWKVMOE-NWDGAFQWSA-N 0 0 282.815 2.960 20 10 CFCDRN COc1ncc(/C=C\C(=O)N(C)c2ccc(C)c(C)c2)cn1 ZINC000775805533 628070638 /nfs/dbraw/zinc/07/06/38/628070638.db2.gz DFXPFYXNLYBNRM-VURMDHGXSA-N 0 0 297.358 2.778 20 10 CFCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)O1 ZINC000852017878 634627693 /nfs/dbraw/zinc/62/76/93/634627693.db2.gz HWPPLEKRHVGVHD-AWEZNQCLSA-N 0 0 277.364 2.700 20 10 CFCDRN C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775987032 628092505 /nfs/dbraw/zinc/09/25/05/628092505.db2.gz UATGMJUIZHKCOC-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776174631 628112215 /nfs/dbraw/zinc/11/22/15/628112215.db2.gz PSMSBAOWAMBMCH-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1C ZINC000776223940 628119087 /nfs/dbraw/zinc/11/90/87/628119087.db2.gz PFBXOAMJSDOHOU-BXKDBHETSA-N 0 0 286.778 2.757 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776252641 628121830 /nfs/dbraw/zinc/12/18/30/628121830.db2.gz VEIXRWODINXALS-GZMMTYOYSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776252642 628121958 /nfs/dbraw/zinc/12/19/58/628121958.db2.gz VEIXRWODINXALS-KCJUWKMLSA-N 0 0 273.735 2.842 20 10 CFCDRN Oc1cccc(Cl)c1CNc1nc2ccccn2n1 ZINC000776266378 628124484 /nfs/dbraw/zinc/12/44/84/628124484.db2.gz UXNDJAAATWTCNA-UHFFFAOYSA-N 0 0 274.711 2.700 20 10 CFCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000776392571 628142002 /nfs/dbraw/zinc/14/20/02/628142002.db2.gz RHBUOPHOABUIJZ-UTCJRWHESA-N 0 0 293.729 2.889 20 10 CFCDRN Cc1nnccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776492345 628154277 /nfs/dbraw/zinc/15/42/77/628154277.db2.gz PAIXNDBLHWRXIC-NSHDSACASA-N 0 0 299.378 2.734 20 10 CFCDRN C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000777219180 628208814 /nfs/dbraw/zinc/20/88/14/628208814.db2.gz HTOOJOREVHBLSL-SNVBAGLBSA-N 0 0 298.814 2.781 20 10 CFCDRN CCOc1ccc(N(C)Cc2ncnn2CC(C)C)cc1 ZINC000778947310 628341200 /nfs/dbraw/zinc/34/12/00/628341200.db2.gz UWDYCGFJCNTYIF-UHFFFAOYSA-N 0 0 288.395 2.969 20 10 CFCDRN CCN(Cc1ccoc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779481067 628384952 /nfs/dbraw/zinc/38/49/52/628384952.db2.gz JVFSKIHZRNADQG-GQCTYLIASA-N 0 0 287.315 2.753 20 10 CFCDRN CCc1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779514332 628385998 /nfs/dbraw/zinc/38/59/98/628385998.db2.gz KLZGQLVHVXJZQK-GQCTYLIASA-N 0 0 290.344 2.769 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cccc(F)c21 ZINC000779535588 628386882 /nfs/dbraw/zinc/38/68/82/628386882.db2.gz JHRIPMATYKMDFM-FNORWQNLSA-N 0 0 299.301 2.839 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCC(F)(F)C1 ZINC000779538627 628387048 /nfs/dbraw/zinc/38/70/48/628387048.db2.gz XIKSHTHXTNMOMA-MALLOTDXSA-N 0 0 297.301 2.805 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806148266 628391276 /nfs/dbraw/zinc/39/12/76/628391276.db2.gz FAARGQHKZGHIBQ-CABZTGNLSA-N 0 0 255.745 2.875 20 10 CFCDRN COc1cc(-c2nc3c(ccc(F)c3F)[nH]2)cc(O)c1O ZINC000779706847 628394220 /nfs/dbraw/zinc/39/42/20/628394220.db2.gz PIXPIHAQKJURSU-UHFFFAOYSA-N 0 0 292.241 2.928 20 10 CFCDRN CCC[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CCO1 ZINC000780451091 628465686 /nfs/dbraw/zinc/46/56/86/628465686.db2.gz MRHDCHSMRIWJST-JSGCOSHPSA-N 0 0 277.364 2.604 20 10 CFCDRN CON(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000780780295 628496315 /nfs/dbraw/zinc/49/63/15/628496315.db2.gz OTPXXBNCQMVIFZ-UHFFFAOYSA-N 0 0 263.318 2.658 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)c(O)c1O ZINC000780879360 628501753 /nfs/dbraw/zinc/50/17/53/628501753.db2.gz RFBXXOONGTTXTG-SNVBAGLBSA-N 0 0 265.353 2.913 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)c(O)c1O ZINC000780959704 628508705 /nfs/dbraw/zinc/50/87/05/628508705.db2.gz CWOMCKKAVOPGKH-CQSZACIVSA-N 0 0 297.354 2.863 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC3CCC2CC3)c(O)c1O ZINC000780983002 628510839 /nfs/dbraw/zinc/51/08/39/628510839.db2.gz ALQHKBSRARIOEG-GCZXYKMCSA-N 0 0 275.348 2.715 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000806148559 628511210 /nfs/dbraw/zinc/51/12/10/628511210.db2.gz WBQYIJMHEKNSNR-BXKDBHETSA-N 0 0 284.787 2.563 20 10 CFCDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2O)n1 ZINC000781659919 628570357 /nfs/dbraw/zinc/57/03/57/628570357.db2.gz BLXJEESGKAYDOE-UHFFFAOYSA-N 0 0 273.292 2.924 20 10 CFCDRN COCc1cc(N[C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000782146756 628607506 /nfs/dbraw/zinc/60/75/06/628607506.db2.gz IDMRPMYEHXSSHL-JTQLQIEISA-N 0 0 289.335 2.510 20 10 CFCDRN CO[C@H](C)COC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000782305837 628626892 /nfs/dbraw/zinc/62/68/92/628626892.db2.gz SPNFJMLFLMQHTM-SECBINFHSA-N 0 0 294.376 2.687 20 10 CFCDRN CCCCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782985455 628667665 /nfs/dbraw/zinc/66/76/65/628667665.db2.gz GULDIZHFEPXCMO-UHFFFAOYSA-N 0 0 280.320 2.794 20 10 CFCDRN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncn(C)n1 ZINC000783299052 628698470 /nfs/dbraw/zinc/69/84/70/628698470.db2.gz QGOMFGHWUZMQRL-KKZNHRDASA-N 0 0 290.342 2.559 20 10 CFCDRN CC[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C ZINC000783502139 628713882 /nfs/dbraw/zinc/71/38/82/628713882.db2.gz IDPGGEIMPCIMQP-LLVKDONJSA-N 0 0 294.347 2.896 20 10 CFCDRN C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1O ZINC000783531720 628717504 /nfs/dbraw/zinc/71/75/04/628717504.db2.gz LVYAJQNSQLINDM-NSHDSACASA-N 0 0 282.343 2.851 20 10 CFCDRN COc1c(N[C@H](C)c2ccccc2O)cccc1C(N)=O ZINC000783533360 628717989 /nfs/dbraw/zinc/71/79/89/628717989.db2.gz PDBYTMFTQLHGJJ-SNVBAGLBSA-N 0 0 286.331 2.673 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCS2)c1 ZINC000783590767 628724770 /nfs/dbraw/zinc/72/47/70/628724770.db2.gz ZJSVWQUPWVZXDS-IINYFYTJSA-N 0 0 295.404 2.864 20 10 CFCDRN CO[C@@H](C)c1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000783609115 628726222 /nfs/dbraw/zinc/72/62/22/628726222.db2.gz VWKKRRPQSKLEQP-ZETCQYMHSA-N 0 0 299.373 2.975 20 10 CFCDRN C[C@H](NC(=O)/C=C\c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000783718756 628737823 /nfs/dbraw/zinc/73/78/23/628737823.db2.gz QMLZGBKMIQOYGQ-ZWXCPPHNSA-N 0 0 283.375 2.971 20 10 CFCDRN CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000783869965 628752244 /nfs/dbraw/zinc/75/22/44/628752244.db2.gz SFCYHWXIJRQVEW-VIFPVBQESA-N 0 0 291.269 2.805 20 10 CFCDRN CCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1 ZINC000784105427 628776932 /nfs/dbraw/zinc/77/69/32/628776932.db2.gz SEQXGYDZTICORE-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN COC(=O)COc1ccc(N(C)CCc2ccccc2)cc1 ZINC000784554619 628827099 /nfs/dbraw/zinc/82/70/99/628827099.db2.gz KSDSWCYXHHAXRL-UHFFFAOYSA-N 0 0 299.370 2.917 20 10 CFCDRN CC/C(C)=C(/C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616799 628831212 /nfs/dbraw/zinc/83/12/12/628831212.db2.gz ZVCGJJBWTZLAIG-KTKRTIGZSA-N 0 0 278.304 2.570 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000784630329 628832737 /nfs/dbraw/zinc/83/27/37/628832737.db2.gz HVPPJUXXFZZPPW-LLVKDONJSA-N 0 0 292.331 2.650 20 10 CFCDRN CN(C)c1cccc(COC(=O)c2cccc(O)c2O)c1 ZINC000784786722 628842676 /nfs/dbraw/zinc/84/26/76/628842676.db2.gz FDNZSGDHZJRSTG-UHFFFAOYSA-N 0 0 287.315 2.521 20 10 CFCDRN O=C(OCc1csc(C2CC2)n1)c1cccc(O)c1O ZINC000784798300 628843151 /nfs/dbraw/zinc/84/31/51/628843151.db2.gz NUDYKJMWFZSFBU-UHFFFAOYSA-N 0 0 291.328 2.789 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784811128 628843166 /nfs/dbraw/zinc/84/31/66/628843166.db2.gz WYCREWMKLVEIMW-BZNIZROVSA-N 0 0 292.331 2.506 20 10 CFCDRN O=C(COC(=O)C1=CCCCCC1)c1ccc(O)c(O)c1 ZINC000784802875 628843415 /nfs/dbraw/zinc/84/34/15/628843415.db2.gz ZBYLTLOFKZNRMR-UHFFFAOYSA-N 0 0 290.315 2.714 20 10 CFCDRN COc1cc(CN(C)c2ccc(OC)cc2)sn1 ZINC000852207970 634689324 /nfs/dbraw/zinc/68/93/24/634689324.db2.gz AIXBGTPPTIIPBX-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN Cc1ccc(NCc2ccccc2O)cc1N1CCNC1=O ZINC000785553340 628893369 /nfs/dbraw/zinc/89/33/69/628893369.db2.gz QQPLFOGJRRQJSO-UHFFFAOYSA-N 0 0 297.358 2.842 20 10 CFCDRN Cc1ccc(N2CCNC2=O)cc1NCc1ccccc1O ZINC000785549339 628893473 /nfs/dbraw/zinc/89/34/73/628893473.db2.gz BJAYLRDZUKLENF-UHFFFAOYSA-N 0 0 297.358 2.842 20 10 CFCDRN CC[C@H](NCc1cccc(OC)c1O)C(F)(F)F ZINC000786835683 628981231 /nfs/dbraw/zinc/98/12/31/628981231.db2.gz FTRDXDFWZWIUHQ-JTQLQIEISA-N 0 0 263.259 2.831 20 10 CFCDRN CC[C@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000786838161 628981528 /nfs/dbraw/zinc/98/15/28/628981528.db2.gz YTFUHNAMXFLQLA-NSHDSACASA-N 0 0 277.242 2.551 20 10 CFCDRN CCCC(C)(C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000787444733 629013226 /nfs/dbraw/zinc/01/32/26/629013226.db2.gz JBJHJDNZGDFHGK-UHFFFAOYSA-N 0 0 279.380 2.973 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(C)(C)O2)c1 ZINC000787443927 629013593 /nfs/dbraw/zinc/01/35/93/629013593.db2.gz DJDXHIAJLKDNLU-QMTHXVAHSA-N 0 0 293.363 2.536 20 10 CFCDRN Cc1cc(C(=O)OC[C@@H](C)O)c(C)n1-c1ccc(F)cc1 ZINC000787569329 629019050 /nfs/dbraw/zinc/01/90/50/629019050.db2.gz AJHIGLKGHFOTFY-LLVKDONJSA-N 0 0 291.322 2.771 20 10 CFCDRN C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805863737 629059889 /nfs/dbraw/zinc/05/98/89/629059889.db2.gz LAKQFNZBOYWXEZ-DOMZBBRYSA-N 0 0 275.396 2.693 20 10 CFCDRN COc1cccc(O)c1CN(C)Cc1ccc(C)cn1 ZINC000789588547 629169625 /nfs/dbraw/zinc/16/96/25/629169625.db2.gz DUVUUBDDJFJXPO-UHFFFAOYSA-N 0 0 272.348 2.736 20 10 CFCDRN C[C@H](NC(=O)c1c[nH]nc1C1CC1)c1ccc(N(C)C)cc1 ZINC000789851650 629191842 /nfs/dbraw/zinc/19/18/42/629191842.db2.gz TYPGZCYWSAJRBD-NSHDSACASA-N 0 0 298.390 2.844 20 10 CFCDRN C[C@H]1CCC[C@]([NH2+]Cc2ccc3c(c2)CCO3)(C(=O)[O-])C1 ZINC000789901565 629195784 /nfs/dbraw/zinc/19/57/84/629195784.db2.gz AABAZGQIHOEJDO-YVEFUNNKSA-N 0 0 289.375 2.745 20 10 CFCDRN CN(Cc1ccc(F)cc1F)C(=O)c1cccc(O)c1O ZINC000790519210 629244932 /nfs/dbraw/zinc/24/49/32/629244932.db2.gz ZWAHAVZILHIHSR-UHFFFAOYSA-N 0 0 293.269 2.648 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1c1ccccc1 ZINC000790538588 629246754 /nfs/dbraw/zinc/24/67/54/629246754.db2.gz JEMXSJHOHZJMLC-CYBMUJFWSA-N 0 0 269.300 2.685 20 10 CFCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cccc(O)c2O)o1 ZINC000790554483 629247123 /nfs/dbraw/zinc/24/71/23/629247123.db2.gz OCGAYKCULJYIRJ-CABZTGNLSA-N 0 0 287.315 2.744 20 10 CFCDRN O=C(Nc1ccc2scnc2c1)c1cccc(O)c1O ZINC000790622081 629253084 /nfs/dbraw/zinc/25/30/84/629253084.db2.gz GEZFWIWPMSHACV-UHFFFAOYSA-N 0 0 286.312 2.960 20 10 CFCDRN O=C(N[C@H]1CCc2ccc(F)cc21)c1cccc(O)c1O ZINC000790664632 629256518 /nfs/dbraw/zinc/25/65/18/629256518.db2.gz SBQBIIMGVGJKHL-ZDUSSCGKSA-N 0 0 287.290 2.654 20 10 CFCDRN COc1c(F)cc(F)cc1NC(=O)c1cccc(O)c1O ZINC000790893473 629270060 /nfs/dbraw/zinc/27/00/60/629270060.db2.gz WUJXOLZVEXQPIW-UHFFFAOYSA-N 0 0 295.241 2.637 20 10 CFCDRN CS[C@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000790926876 629271768 /nfs/dbraw/zinc/27/17/68/629271768.db2.gz QXTRPJISAKXSMA-LLVKDONJSA-N 0 0 283.393 2.605 20 10 CFCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)Cn1cccn1 ZINC000790950869 629273712 /nfs/dbraw/zinc/27/37/12/629273712.db2.gz GKCRRDGIROUFJH-JTQLQIEISA-N 0 0 297.761 2.807 20 10 CFCDRN CO[C@H](C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790955620 629273727 /nfs/dbraw/zinc/27/37/27/629273727.db2.gz VJXAAFSCKZKSAB-MRVPVSSYSA-N 0 0 261.724 2.699 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOC(F)(F)F ZINC000790991791 629278629 /nfs/dbraw/zinc/27/86/29/629278629.db2.gz RBLSGKBDTWSSQC-UHFFFAOYSA-N 0 0 287.640 2.811 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ncccc1F ZINC000791389605 629307925 /nfs/dbraw/zinc/30/79/25/629307925.db2.gz PBBUSQGFHKZYFH-NSHDSACASA-N 0 0 288.322 2.688 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C)Cc2cc[nH]n2)cc1 ZINC000835028964 629325838 /nfs/dbraw/zinc/32/58/38/629325838.db2.gz OCNLJXOHVZHCJS-SNAWJCMRSA-N 0 0 270.380 2.621 20 10 CFCDRN Cc1nnc(CNC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835044702 629341996 /nfs/dbraw/zinc/34/19/96/629341996.db2.gz OEHRXSYYRNITNR-SNAWJCMRSA-N 0 0 288.420 2.716 20 10 CFCDRN CC(C)c1nnc(CNCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835054312 629356329 /nfs/dbraw/zinc/35/63/29/629356329.db2.gz JLPUTBQKVWRZHL-WAYWQWQTSA-N 0 0 299.422 2.797 20 10 CFCDRN CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1COC1 ZINC000835054268 629356346 /nfs/dbraw/zinc/35/63/46/629356346.db2.gz IHLBNHRSSURLLE-WAYWQWQTSA-N 0 0 274.408 2.875 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCF ZINC000792039100 629391724 /nfs/dbraw/zinc/39/17/24/629391724.db2.gz DIRWZZJHPUBCJH-FNORWQNLSA-N 0 0 268.284 2.794 20 10 CFCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[C@H](O)CC1 ZINC000792180667 629406690 /nfs/dbraw/zinc/40/66/90/629406690.db2.gz RHRVEHZFEUDMOH-MGCOHNPYSA-N 0 0 287.762 2.920 20 10 CFCDRN COc1ccc(CNC(=O)NCC2CC(C)(C)C2)c(O)c1 ZINC000793068786 629482190 /nfs/dbraw/zinc/48/21/90/629482190.db2.gz ZSIWNODSODVTJQ-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN COC(=O)C(C)(C)CCN(C)c1ccc(OC)c(F)c1 ZINC000793063912 629482239 /nfs/dbraw/zinc/48/22/39/629482239.db2.gz YXRPTCQRGGGTRT-UHFFFAOYSA-N 0 0 283.343 2.860 20 10 CFCDRN CN(C)c1ccc(CN2CC(F)C2)c(C(F)(F)F)c1 ZINC000793072591 629482777 /nfs/dbraw/zinc/48/27/77/629482777.db2.gz GCPPYQWABZZBBA-UHFFFAOYSA-N 0 0 276.277 2.925 20 10 CFCDRN CCC(C)(C)CNC(=O)NCc1ccc(OC)cc1O ZINC000793081085 629485191 /nfs/dbraw/zinc/48/51/91/629485191.db2.gz ANOFSQYBVFBJEA-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN C[C@@H]1CC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000793464299 629553512 /nfs/dbraw/zinc/55/35/12/629553512.db2.gz OFLCAOBOSJJYIN-OLZOCXBDSA-N 0 0 276.380 2.970 20 10 CFCDRN C[C@H]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000793464302 629553624 /nfs/dbraw/zinc/55/36/24/629553624.db2.gz OFLCAOBOSJJYIN-QWHCGFSZSA-N 0 0 276.380 2.970 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)c2c1c(F)ccc2O ZINC000793567606 629572622 /nfs/dbraw/zinc/57/26/22/629572622.db2.gz ZMEYXQFUSPKYFT-ZYHUDNBSSA-N 0 0 279.355 2.974 20 10 CFCDRN Cn1ccc2ccc(NCc3cc(F)ccc3O)cc2c1=O ZINC000793619534 629580137 /nfs/dbraw/zinc/58/01/37/629580137.db2.gz GTZLLLLVWFLKRO-UHFFFAOYSA-N 0 0 298.317 2.995 20 10 CFCDRN C[C@@H]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000794261198 629627964 /nfs/dbraw/zinc/62/79/64/629627964.db2.gz TUKSIOYGBXLGQX-HASJVIIQSA-N 0 0 275.348 2.663 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1ccc(OC)cc1O ZINC000794373695 629641602 /nfs/dbraw/zinc/64/16/02/629641602.db2.gz LKLOSFWGBQLJLT-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](C)c2ccc(C)o2)c(O)c1 ZINC000794380732 629642203 /nfs/dbraw/zinc/64/22/03/629642203.db2.gz IABTYIAZXPHGMU-NSHDSACASA-N 0 0 289.331 2.722 20 10 CFCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(OC)cc1O ZINC000794378739 629642218 /nfs/dbraw/zinc/64/22/18/629642218.db2.gz VWXLZBNOYQHVLD-KHPPLWFESA-N 0 0 263.337 2.763 20 10 CFCDRN COc1ccc(CNC(=O)Cc2cccc(C)c2)c(O)c1 ZINC000794379713 629642305 /nfs/dbraw/zinc/64/23/05/629642305.db2.gz VKXZVXGMOMDWSP-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN CCCCCCC(=O)NCc1ccc(OC)cc1O ZINC000794383346 629642352 /nfs/dbraw/zinc/64/23/52/629642352.db2.gz LIFZTGSELWUOGD-UHFFFAOYSA-N 0 0 265.353 2.987 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ZINC000840574417 631166007 /nfs/dbraw/zinc/16/60/07/631166007.db2.gz VCNJKDMRHNZVBN-GFCCVEGCSA-N 0 0 275.348 2.668 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccc(F)cc1[O-] ZINC000840840292 631237298 /nfs/dbraw/zinc/23/72/98/631237298.db2.gz COYWGFNDALZOTK-CQSZACIVSA-N 0 0 277.343 2.989 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840873332 631247090 /nfs/dbraw/zinc/24/70/90/631247090.db2.gz SPDNSHAWGXDIMU-NOOOWODRSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840873334 631247391 /nfs/dbraw/zinc/24/73/91/631247391.db2.gz SPDNSHAWGXDIMU-WISYIIOYSA-N 0 0 294.351 2.765 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC(C)C ZINC000840871311 631247425 /nfs/dbraw/zinc/24/74/25/631247425.db2.gz YHVLXFCKGSLYNA-CYBMUJFWSA-N 0 0 293.480 2.865 20 10 CFCDRN CCn1[nH]c(C)nc1=NCc1ccc(N2CCCCC2)cc1 ZINC000840888067 631253231 /nfs/dbraw/zinc/25/32/31/631253231.db2.gz WNXKXKGARUVBSR-UHFFFAOYSA-N 0 0 299.422 2.631 20 10 CFCDRN COCCn1ccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000840899900 631255235 /nfs/dbraw/zinc/25/52/35/631255235.db2.gz ZVLCVLDUPNVRBR-UHFFFAOYSA-N 0 0 295.770 2.809 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)C(=O)OC(C)C ZINC000840916924 631264882 /nfs/dbraw/zinc/26/48/82/631264882.db2.gz NYWZEFXLGFKAOI-AWEZNQCLSA-N 0 0 292.423 2.833 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000809696458 631267005 /nfs/dbraw/zinc/26/70/05/631267005.db2.gz JWMUWAAYUWQFED-GXFFZTMASA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1nc(C(C)(C)NCc2ccc(N(C)C)cc2C)no1 ZINC000840931340 631266996 /nfs/dbraw/zinc/26/69/96/631266996.db2.gz FMODXXBRAQXQET-UHFFFAOYSA-N 0 0 288.395 2.777 20 10 CFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000840938191 631269974 /nfs/dbraw/zinc/26/99/74/631269974.db2.gz YTUKDCUXVCDCJZ-OAHLLOKOSA-N 0 0 292.423 2.738 20 10 CFCDRN Cc1nnc(CNCc2ccc(N(C)C)cc2C)s1 ZINC000840938140 631270358 /nfs/dbraw/zinc/27/03/58/631270358.db2.gz XXMRBLLBCQFILI-UHFFFAOYSA-N 0 0 276.409 2.511 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1c([O-])ccc(Cl)c1F ZINC000809738216 631274669 /nfs/dbraw/zinc/27/46/69/631274669.db2.gz SZFAWCFWHRYWGJ-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN CCN(CC)c1ccc(CNCc2nonc2C)cc1 ZINC000809744859 631277115 /nfs/dbraw/zinc/27/71/15/631277115.db2.gz GISBLBBHZOUFNP-UHFFFAOYSA-N 0 0 274.368 2.514 20 10 CFCDRN Cc1nonc1CNCc1ccc(N2CCCCC2)cc1 ZINC000809745052 631277826 /nfs/dbraw/zinc/27/78/26/631277826.db2.gz LFQRFKUVJNNTAT-UHFFFAOYSA-N 0 0 286.379 2.658 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](CF)C2)c(Cl)c1 ZINC000840955422 631282096 /nfs/dbraw/zinc/28/20/96/631282096.db2.gz UUAYDFGSKSUNOD-SNVBAGLBSA-N 0 0 273.735 2.524 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@H](C3CCC3)C2)cc1F ZINC000840955405 631283138 /nfs/dbraw/zinc/28/31/38/631283138.db2.gz URGMFYXAUIRQCL-KRWDZBQOSA-N 0 0 292.398 2.893 20 10 CFCDRN Oc1cc2c(cc1CN1CCc3cccc(F)c31)OCO2 ZINC000809766960 631285022 /nfs/dbraw/zinc/28/50/22/631285022.db2.gz CORBDHNSJNMYOX-UHFFFAOYSA-N 0 0 287.290 2.823 20 10 CFCDRN O=C1OCc2ccc(NCc3cc(F)ccc3O)cc21 ZINC000809788796 631290221 /nfs/dbraw/zinc/29/02/21/631290221.db2.gz PQPVQRSAWGUYFK-UHFFFAOYSA-N 0 0 273.263 2.814 20 10 CFCDRN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000840977020 631292968 /nfs/dbraw/zinc/29/29/68/631292968.db2.gz ZZFQBEXISJNYBD-HNNXBMFYSA-N 0 0 297.782 2.821 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000840998743 631297938 /nfs/dbraw/zinc/29/79/38/631297938.db2.gz RERRAGOWHBZMCL-BDUNBXCCSA-N 0 0 288.391 2.562 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000840997582 631298301 /nfs/dbraw/zinc/29/83/01/631298301.db2.gz OQLMHPQWXZGVRP-UJAVWCLSSA-N 0 0 288.391 2.562 20 10 CFCDRN Oc1c(F)cccc1CNCC[NH2+]C1CCCCCC1 ZINC000841027726 631309324 /nfs/dbraw/zinc/30/93/24/631309324.db2.gz FPCWRQOMYDERGI-UHFFFAOYSA-N 0 0 280.387 2.933 20 10 CFCDRN CCOc1cccc(CNc2ccc(N)c(OC)c2)c1O ZINC000841041300 631317298 /nfs/dbraw/zinc/31/72/98/631317298.db2.gz DWEUZYFYDDNQOJ-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000810259340 631352062 /nfs/dbraw/zinc/35/20/62/631352062.db2.gz HFRRDAPIOUURDS-XPTSAGLGSA-N 0 0 285.334 2.872 20 10 CFCDRN Nc1ccc(CCNC(=O)Nc2cccc(C3CC3)n2)cc1 ZINC000841254639 631369121 /nfs/dbraw/zinc/36/91/21/631369121.db2.gz LMPPMOBIFMJMEX-UHFFFAOYSA-N 0 0 296.374 2.905 20 10 CFCDRN COC(=O)CCCCCCNC(=O)Nc1ccc(N)cc1 ZINC000841296568 631376963 /nfs/dbraw/zinc/37/69/63/631376963.db2.gz VNCXCORWIXSSNY-UHFFFAOYSA-N 0 0 293.367 2.514 20 10 CFCDRN CC(C)[C@@H](CO)[C@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300059 631377645 /nfs/dbraw/zinc/37/76/45/631377645.db2.gz RJTXDPQAQJVNQO-HUUCEWRRSA-N 0 0 293.411 2.679 20 10 CFCDRN CC1(C)C[C@H](CNC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841298454 631377828 /nfs/dbraw/zinc/37/78/28/631377828.db2.gz PXQYVBBKTRZSIN-LLVKDONJSA-N 0 0 277.368 2.596 20 10 CFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000841298794 631378248 /nfs/dbraw/zinc/37/82/48/631378248.db2.gz GVBKLLFNOPFNCE-UHFFFAOYSA-N 0 0 275.274 2.979 20 10 CFCDRN Nc1ccc(NC(=O)NCC2(CCO)CCCCC2)cc1 ZINC000841299911 631378310 /nfs/dbraw/zinc/37/83/10/631378310.db2.gz LODWYFGPLHEFGG-UHFFFAOYSA-N 0 0 291.395 2.723 20 10 CFCDRN CC(C)Cn1cc(NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841301076 631378892 /nfs/dbraw/zinc/37/88/92/631378892.db2.gz ZBWDKNWINXBLHO-UHFFFAOYSA-N 0 0 273.340 2.765 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](CC(C)C)OC)c1 ZINC000841405662 631400569 /nfs/dbraw/zinc/40/05/69/631400569.db2.gz NXMZLJZYYNOCBL-NHYWBVRUSA-N 0 0 295.379 2.639 20 10 CFCDRN CCc1nocc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000841496506 631417008 /nfs/dbraw/zinc/41/70/08/631417008.db2.gz PMSGBTWRRNMEHN-BJMVGYQFSA-N 0 0 280.374 2.601 20 10 CFCDRN C[C@H](NC(=O)OCCCF)c1ccc(N(C)C)cc1 ZINC000841515709 631421241 /nfs/dbraw/zinc/42/12/41/631421241.db2.gz NGMAIEXONSASPM-NSHDSACASA-N 0 0 268.332 2.899 20 10 CFCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841639043 631440819 /nfs/dbraw/zinc/44/08/19/631440819.db2.gz JEVNJBMEIANMTK-CQSZACIVSA-N 0 0 297.402 2.914 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2CCOC(C)(C)C2)s1 ZINC000840210395 631448518 /nfs/dbraw/zinc/44/85/18/631448518.db2.gz ZSYUDIMGIKKAHA-MRVPVSSYSA-N 0 0 287.406 2.979 20 10 CFCDRN Cc1ccc(CNC(=O)NCCc2ccc(N)cc2)s1 ZINC000841676280 631449975 /nfs/dbraw/zinc/44/99/75/631449975.db2.gz NPMQTORKVCZBQZ-UHFFFAOYSA-N 0 0 289.404 2.681 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841746515 631463663 /nfs/dbraw/zinc/46/36/63/631463663.db2.gz HDNYUSKCCUOMSW-UWVGGRQHSA-N 0 0 256.777 2.646 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758366 631467785 /nfs/dbraw/zinc/46/77/85/631467785.db2.gz SLWJYIADBHMPFF-GHMZBOCLSA-N 0 0 271.788 2.961 20 10 CFCDRN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841757951 631467873 /nfs/dbraw/zinc/46/78/73/631467873.db2.gz JGOKHOJMYDAGOW-DGCLKSJQSA-N 0 0 299.798 2.892 20 10 CFCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)C)cc1C ZINC000841798748 631472682 /nfs/dbraw/zinc/47/26/82/631472682.db2.gz JMEKHYXHDDIURY-CYBMUJFWSA-N 0 0 265.353 2.593 20 10 CFCDRN C[C@@H](C(=O)[O-])[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841807867 631473810 /nfs/dbraw/zinc/47/38/10/631473810.db2.gz FPPMKHIMWMYIPJ-KGLIPLIRSA-N 0 0 290.407 2.876 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CC2(C(=O)[O-])CC2)cc1F ZINC000841809118 631473815 /nfs/dbraw/zinc/47/38/15/631473815.db2.gz SETWLHMEIMRVRO-UHFFFAOYSA-N 0 0 294.370 2.626 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000841810657 631474579 /nfs/dbraw/zinc/47/45/79/631474579.db2.gz CQRZDSZNHGWHLX-GJZGRUSLSA-N 0 0 288.391 2.652 20 10 CFCDRN C[C@H](CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000841815801 631475166 /nfs/dbraw/zinc/47/51/66/631475166.db2.gz LAGZDFJJBOAEMJ-LLVKDONJSA-N 0 0 277.364 2.601 20 10 CFCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000841821689 631475528 /nfs/dbraw/zinc/47/55/28/631475528.db2.gz KHEMRHIHZRIKEE-GFCCVEGCSA-N 0 0 277.412 2.793 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000841830638 631477880 /nfs/dbraw/zinc/47/78/80/631477880.db2.gz KEJMAQGSFXWQGF-VIKVFOODSA-N 0 0 289.423 2.935 20 10 CFCDRN CCC(CC)CNC(=O)NCCc1ccc(N)cc1 ZINC000841830940 631477963 /nfs/dbraw/zinc/47/79/63/631477963.db2.gz AKZSQMVPXBGYSK-UHFFFAOYSA-N 0 0 263.385 2.547 20 10 CFCDRN C[C@@H](CCC1CC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841879596 631486055 /nfs/dbraw/zinc/48/60/55/631486055.db2.gz HOKQIJNDBLRMRP-LBPRGKRZSA-N 0 0 275.396 2.689 20 10 CFCDRN Nc1ccc(CCNC(=O)NC2CCC3(CC3)CC2)cc1 ZINC000841886718 631486611 /nfs/dbraw/zinc/48/66/11/631486611.db2.gz XALWVPYNOUFMNZ-UHFFFAOYSA-N 0 0 287.407 2.833 20 10 CFCDRN Cc1cscc1CNC(=O)NCCc1ccc(N)cc1 ZINC000841887008 631488067 /nfs/dbraw/zinc/48/80/67/631488067.db2.gz BJOSVZGQPHWJDU-UHFFFAOYSA-N 0 0 289.404 2.681 20 10 CFCDRN Nc1ccc(CCNC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000841955949 631495672 /nfs/dbraw/zinc/49/56/72/631495672.db2.gz SBOLEFKYZXBFNA-GASCZTMLSA-N 0 0 287.407 2.643 20 10 CFCDRN Cc1occc1CN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958323 631496236 /nfs/dbraw/zinc/49/62/36/631496236.db2.gz ZKFWERGPCRXHOK-UHFFFAOYSA-N 0 0 287.363 2.554 20 10 CFCDRN CC1(C)CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957616 631496444 /nfs/dbraw/zinc/49/64/44/631496444.db2.gz SQXYPAJVBVCBDB-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN C[C@@H](c1ccco1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956849 631496808 /nfs/dbraw/zinc/49/68/08/631496808.db2.gz KHAJRTIWMZLBAY-LBPRGKRZSA-N 0 0 287.363 2.807 20 10 CFCDRN C[C@@H]1CC2(CCC2)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841960073 631497612 /nfs/dbraw/zinc/49/76/12/631497612.db2.gz UITQTBOECIBMOJ-CYBMUJFWSA-N 0 0 287.407 2.785 20 10 CFCDRN CCn1cc(CCOc2ccc(N(C)C)cc2)cn1 ZINC000842044518 631511918 /nfs/dbraw/zinc/51/19/18/631511918.db2.gz UXCJOAKIEBSISX-UHFFFAOYSA-N 0 0 259.353 2.591 20 10 CFCDRN CCc1noc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000155265850 650015778 /nfs/dbraw/zinc/01/57/78/650015778.db2.gz WBCGSTOSLPPGBN-UHFFFAOYSA-N 0 0 289.335 2.915 20 10 CFCDRN COc1cccc(CNC(=O)/C=C/c2ccccc2)c1O ZINC000155332860 650017144 /nfs/dbraw/zinc/01/71/44/650017144.db2.gz LGDSOTDERVBRTA-ZHACJKMWSA-N 0 0 283.327 2.730 20 10 CFCDRN CC(C)(C)OC(=O)N1CCCN1Cc1ccccc1O ZINC000811502851 631572458 /nfs/dbraw/zinc/57/24/58/631572458.db2.gz JSQPRSARHRQWOG-UHFFFAOYSA-N 0 0 278.352 2.750 20 10 CFCDRN Oc1cccc(Cl)c1CN1CC(O)(c2ccccc2)C1 ZINC000811509296 631574262 /nfs/dbraw/zinc/57/42/62/631574262.db2.gz UWOZEAWIRMBLOC-UHFFFAOYSA-N 0 0 289.762 2.749 20 10 CFCDRN CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000811517764 631575389 /nfs/dbraw/zinc/57/53/89/631575389.db2.gz BXBSISAUOAZZNE-SNVBAGLBSA-N 0 0 261.724 2.699 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])OC ZINC000811517763 631575581 /nfs/dbraw/zinc/57/55/81/631575581.db2.gz BXBSISAUOAZZNE-JTQLQIEISA-N 0 0 261.724 2.699 20 10 CFCDRN CN(C)c1ccccc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000811543680 631579045 /nfs/dbraw/zinc/57/90/45/631579045.db2.gz GNNMRCBEYAKNQD-UHFFFAOYSA-N 0 0 290.388 2.792 20 10 CFCDRN COc1ccc(O)c(CNc2nc(N)c3ccccc3n2)c1 ZINC000811806174 631624693 /nfs/dbraw/zinc/62/46/93/631624693.db2.gz LGIDYUYHDZIJKR-UHFFFAOYSA-N 0 0 296.330 2.538 20 10 CFCDRN COc1ccc(O)c(CNc2cc3cc[nH]c3cn2)c1 ZINC000811806011 631625086 /nfs/dbraw/zinc/62/50/86/631625086.db2.gz HQAJVGFGDJGMAP-UHFFFAOYSA-N 0 0 269.304 2.889 20 10 CFCDRN Oc1ccc(CCNc2ccnc3cc(F)cnc32)cc1O ZINC000811810936 631625664 /nfs/dbraw/zinc/62/56/64/631625664.db2.gz JLEMKUUVULQLIF-UHFFFAOYSA-N 0 0 299.305 2.835 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(C(F)(F)F)o2)c1 ZINC000811836385 631630209 /nfs/dbraw/zinc/63/02/09/631630209.db2.gz RIHGPDMDXALWKG-UHFFFAOYSA-N 0 0 273.214 2.715 20 10 CFCDRN CC(C)Oc1ccc(NCc2ccc(N(C)C)cc2)nn1 ZINC000811839661 631630267 /nfs/dbraw/zinc/63/02/67/631630267.db2.gz OBUHYHYNAJJUDU-UHFFFAOYSA-N 0 0 286.379 2.942 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOC/C=C/Cl ZINC000811982071 631648390 /nfs/dbraw/zinc/64/83/90/631648390.db2.gz NCIJMXWKWFJIPZ-QPJJXVBHSA-N 0 0 297.786 2.544 20 10 CFCDRN CO[C@H](C)c1nsc(NCc2cc(C)ccc2O)n1 ZINC000812345632 631694540 /nfs/dbraw/zinc/69/45/40/631694540.db2.gz HCVQMRAYEUPQAX-SECBINFHSA-N 0 0 279.365 2.872 20 10 CFCDRN O=C(Nc1cc(C2CC2)ccn1)C1=CC(=O)CS1 ZINC000812360347 631695511 /nfs/dbraw/zinc/69/55/11/631695511.db2.gz ZITUSFIUCLTUPX-UHFFFAOYSA-N 0 0 260.318 2.978 20 10 CFCDRN Cc1cc(C(=O)NCCCCF)c(C)n1-c1ccccn1 ZINC000812611268 631743253 /nfs/dbraw/zinc/74/32/53/631743253.db2.gz NESKUEOYODADBC-UHFFFAOYSA-N 0 0 289.354 2.969 20 10 CFCDRN Cc1nn(C)c2cc(NC(=O)c3cccc(O)c3O)ccc12 ZINC000812618489 631744645 /nfs/dbraw/zinc/74/46/45/631744645.db2.gz MIAIGCCOFULDGP-UHFFFAOYSA-N 0 0 297.314 2.545 20 10 CFCDRN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000812778651 631772350 /nfs/dbraw/zinc/77/23/50/631772350.db2.gz KHEARQZGLIBJIA-LLVKDONJSA-N 0 0 273.735 2.530 20 10 CFCDRN C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])[C@H]1C[NH3+] ZINC000843052009 631816846 /nfs/dbraw/zinc/81/68/46/631816846.db2.gz OCFAFTWUKPTAQD-GWCFXTLKSA-N 0 0 268.788 2.605 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054465 631817747 /nfs/dbraw/zinc/81/77/47/631817747.db2.gz MWEFTXVDEDOVIF-ZJUUUORDSA-N 0 0 284.762 2.511 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055761 631818765 /nfs/dbraw/zinc/81/87/65/631818765.db2.gz OSSVPCGMIRKRDC-GFCCVEGCSA-N 0 0 284.762 2.511 20 10 CFCDRN CCC[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1[O-] ZINC000843057679 631819963 /nfs/dbraw/zinc/81/99/63/631819963.db2.gz GZQSKAJTRSBBJH-GFCCVEGCSA-N 0 0 268.788 2.620 20 10 CFCDRN CSCCCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843159464 631871364 /nfs/dbraw/zinc/87/13/64/631871364.db2.gz PZYYEHYWAWKQHT-UHFFFAOYSA-N 0 0 277.393 2.928 20 10 CFCDRN CC(C)n1ccc(-c2nc(Cc3ccc(N)cc3)no2)n1 ZINC000843160670 631872086 /nfs/dbraw/zinc/87/20/86/631872086.db2.gz ZONSZSNCCRXZNB-UHFFFAOYSA-N 0 0 283.335 2.687 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc[nH]c1C1CCC1 ZINC000813488888 631926248 /nfs/dbraw/zinc/92/62/48/631926248.db2.gz IFWPSIGJECDZDO-UHFFFAOYSA-N 0 0 286.331 2.623 20 10 CFCDRN Cc1nnc(CSc2ncc(-c3ccccc3)n2C)[nH]1 ZINC000813568493 631933830 /nfs/dbraw/zinc/93/38/30/631933830.db2.gz MDZPTKDFNOAATG-UHFFFAOYSA-N 0 0 285.376 2.806 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ccno2)cc1F ZINC000843402467 631945633 /nfs/dbraw/zinc/94/56/33/631945633.db2.gz ITVZKSHTENCMFD-UHFFFAOYSA-N 0 0 277.343 2.950 20 10 CFCDRN CC(C)Cn1nccc1CN(C)c1ccc2c(c1)OCO2 ZINC000843405061 631946761 /nfs/dbraw/zinc/94/67/61/631946761.db2.gz LZNNWFTZMNATEB-UHFFFAOYSA-N 0 0 287.363 2.904 20 10 CFCDRN CC[C@@H](C)C[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC ZINC000843415282 631948064 /nfs/dbraw/zinc/94/80/64/631948064.db2.gz IMFYAKGKRUEVLA-DOMZBBRYSA-N 0 0 291.391 2.689 20 10 CFCDRN CC[C@@H](C)CONC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000813825827 631963634 /nfs/dbraw/zinc/96/36/34/631963634.db2.gz LNQPYXJTJDKOBW-GHMZBOCLSA-N 0 0 296.367 2.739 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)c(O)c1O ZINC000813858856 631968399 /nfs/dbraw/zinc/96/83/99/631968399.db2.gz CSSCYYNFACLPQC-HZMBPMFUSA-N 0 0 299.326 2.658 20 10 CFCDRN COCC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000813883055 631972631 /nfs/dbraw/zinc/97/26/31/631972631.db2.gz PQHSEQLMABEZQH-VIFPVBQESA-N 0 0 273.323 2.994 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1(F)CC1 ZINC000843528367 631977241 /nfs/dbraw/zinc/97/72/41/631977241.db2.gz ZNKDUMHHVYOLEP-UHFFFAOYSA-N 0 0 278.371 2.992 20 10 CFCDRN C[C@@H](NC(=O)C1(C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000843579307 631994955 /nfs/dbraw/zinc/99/49/55/631994955.db2.gz AIADNIUXOFXOSW-SNVBAGLBSA-N 0 0 282.334 2.975 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(F)CC1 ZINC000843606483 632002700 /nfs/dbraw/zinc/00/27/00/632002700.db2.gz DCWZOJQCNRBGOC-LBPRGKRZSA-N 0 0 278.371 2.610 20 10 CFCDRN CNC(=O)Oc1cccc(NCc2cc(F)ccc2O)c1 ZINC000814174536 632023275 /nfs/dbraw/zinc/02/32/75/632023275.db2.gz FUZDBURWHFYATD-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1C1CCC1 ZINC000814185953 632027371 /nfs/dbraw/zinc/02/73/71/632027371.db2.gz RQVLJASOWHMZDE-POHAHGRESA-N 0 0 294.376 2.974 20 10 CFCDRN CO[C@H]1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000814376437 632057399 /nfs/dbraw/zinc/05/73/99/632057399.db2.gz BCZLJYAYEJFNBB-HOCLYGCPSA-N 0 0 290.407 2.574 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C1 ZINC000843880526 632071011 /nfs/dbraw/zinc/07/10/11/632071011.db2.gz QXQPXYBZWIJZPZ-ZDUSSCGKSA-N 0 0 289.375 2.890 20 10 CFCDRN CC(C)(C)O[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000844149161 632126823 /nfs/dbraw/zinc/12/68/23/632126823.db2.gz MVHISQVIISDRCP-WAAGHKOSSA-N 0 0 269.366 2.530 20 10 CFCDRN Oc1ccc(-c2csc(C[C@H]3CCCO3)n2)cc1O ZINC000844273029 632151887 /nfs/dbraw/zinc/15/18/87/632151887.db2.gz SGGHYMWRYMTJNU-SNVBAGLBSA-N 0 0 277.345 2.943 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844299624 632160675 /nfs/dbraw/zinc/16/06/75/632160675.db2.gz UCNMSBJDKKCGDK-OAHLLOKOSA-N 0 0 290.363 2.505 20 10 CFCDRN COc1ccc(N(C)CC(=O)NC2CCCCCC2)cc1 ZINC000844352874 632176832 /nfs/dbraw/zinc/17/68/32/632176832.db2.gz AYWVRAZSHRHSDN-UHFFFAOYSA-N 0 0 290.407 2.970 20 10 CFCDRN COc1ccc(N(C)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000844354866 632177996 /nfs/dbraw/zinc/17/79/96/632177996.db2.gz JCHGKINRXPKOBZ-UHFFFAOYSA-N 0 0 285.347 2.705 20 10 CFCDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)O ZINC000815154603 632219313 /nfs/dbraw/zinc/21/93/13/632219313.db2.gz HFWSQVGLOSYXLO-NSHDSACASA-N 0 0 275.751 2.824 20 10 CFCDRN COC1(CCOC(=O)c2ccc(C)c(O)c2O)CCC1 ZINC000815200839 632227850 /nfs/dbraw/zinc/22/78/50/632227850.db2.gz PTVCOKUOJXDNMU-UHFFFAOYSA-N 0 0 280.320 2.522 20 10 CFCDRN COCc1ccc(COC(=O)c2cccc(O)c2O)cc1 ZINC000815235468 632236649 /nfs/dbraw/zinc/23/66/49/632236649.db2.gz ZJKHHGRKICZDFT-UHFFFAOYSA-N 0 0 288.299 2.601 20 10 CFCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000844659529 632276230 /nfs/dbraw/zinc/27/62/30/632276230.db2.gz AEBYZTHOVRKQSJ-LBPRGKRZSA-N 0 0 299.392 2.915 20 10 CFCDRN COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552586 632288146 /nfs/dbraw/zinc/28/81/46/632288146.db2.gz FNFJKDGYESZZEU-MRVPVSSYSA-N 0 0 263.259 2.708 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815577696 632291018 /nfs/dbraw/zinc/29/10/18/632291018.db2.gz WONCOCUATNFRQT-MRVPVSSYSA-N 0 0 285.269 2.985 20 10 CFCDRN C[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815580894 632291100 /nfs/dbraw/zinc/29/11/00/632291100.db2.gz SRFFYTXSRHCYKD-BDAKNGLRSA-N 0 0 277.286 2.833 20 10 CFCDRN CC[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628578 632301770 /nfs/dbraw/zinc/30/17/70/632301770.db2.gz FBYGWFVIQKBZRS-BDAKNGLRSA-N 0 0 277.286 2.833 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C(C)(F)F ZINC000815630109 632301910 /nfs/dbraw/zinc/30/19/10/632301910.db2.gz XDMOHSBGRGKFTR-NSHDSACASA-N 0 0 284.350 2.969 20 10 CFCDRN CCCCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852900 632322983 /nfs/dbraw/zinc/32/29/83/632322983.db2.gz WJQYEMHVXUQSEG-UHFFFAOYSA-N 0 0 278.396 2.780 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(C)ccc2F)c1O ZINC000105649738 632325053 /nfs/dbraw/zinc/32/50/53/632325053.db2.gz QVUHAICOIYZVFR-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC2CCC1CC2 ZINC000815835952 632325364 /nfs/dbraw/zinc/32/53/64/632325364.db2.gz KMNZIBXFDOZECC-GDKBPFBDSA-N 0 0 275.348 2.540 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000844938979 632343074 /nfs/dbraw/zinc/34/30/74/632343074.db2.gz XOTAXJLUZMMYMQ-XHPSBEMXSA-N 0 0 276.380 2.561 20 10 CFCDRN CC1(C)C[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844972383 632348641 /nfs/dbraw/zinc/34/86/41/632348641.db2.gz HIYNPNDCCRMVDP-JTQLQIEISA-N 0 0 282.771 2.891 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC=CCC1 ZINC000845005866 632355142 /nfs/dbraw/zinc/35/51/42/632355142.db2.gz SDSUORAJERJULY-LBPRGKRZSA-N 0 0 280.755 2.954 20 10 CFCDRN CC1CC(NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845021721 632358624 /nfs/dbraw/zinc/35/86/24/632358624.db2.gz PIHBJCHCQBBOQW-UHFFFAOYSA-N 0 0 268.744 2.643 20 10 CFCDRN CC[C@@H](C)CONC(=O)NCc1cc(Cl)ccc1O ZINC000845213773 632385502 /nfs/dbraw/zinc/38/55/02/632385502.db2.gz SBISJXKJJCBDLW-SECBINFHSA-N 0 0 286.759 2.823 20 10 CFCDRN CC1(C)C[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845259962 632396794 /nfs/dbraw/zinc/39/67/94/632396794.db2.gz OXRARWMEJDKVRZ-NSHDSACASA-N 0 0 268.744 2.643 20 10 CFCDRN CC(C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484045 632468160 /nfs/dbraw/zinc/46/81/60/632468160.db2.gz NVFZRJONDOFHRY-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN COc1ccc(CNC(=O)CC2CC(C)(C)C2)c(O)c1 ZINC000816550947 632481447 /nfs/dbraw/zinc/48/14/47/632481447.db2.gz JDHDCOIXECHAMJ-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN CCc1nocc1CN(C)c1ccc2c(c1)OCO2 ZINC000816566128 632486641 /nfs/dbraw/zinc/48/66/41/632486641.db2.gz LZRIBCUKNYQKRY-UHFFFAOYSA-N 0 0 260.293 2.602 20 10 CFCDRN CCN(Cc1cn(C)nn1)Cc1ccc2ccccc2c1O ZINC000816566619 632486709 /nfs/dbraw/zinc/48/67/09/632486709.db2.gz AOWBUTCGVJQMKE-UHFFFAOYSA-N 0 0 296.374 2.696 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000816584983 632490054 /nfs/dbraw/zinc/49/00/54/632490054.db2.gz YERNRTXTJHTGSE-JTQLQIEISA-N 0 0 271.719 2.967 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000816594644 632492150 /nfs/dbraw/zinc/49/21/50/632492150.db2.gz KRKOZHXHOSHFSD-VIFPVBQESA-N 0 0 285.746 2.653 20 10 CFCDRN Cc1cccc(CN(C)C(=O)c2cccc(O)c2O)c1C ZINC000816788455 632522794 /nfs/dbraw/zinc/52/27/94/632522794.db2.gz HXPGDWBEUZHJTO-UHFFFAOYSA-N 0 0 285.343 2.987 20 10 CFCDRN Oc1ccc(Cl)cc1CNc1nnc(C2CC2)o1 ZINC000845709035 632530210 /nfs/dbraw/zinc/53/02/10/632530210.db2.gz LMLXXVHBPNSYPK-UHFFFAOYSA-N 0 0 265.700 2.918 20 10 CFCDRN CC(C)(NC(=O)c1cccc(O)c1O)c1ccccc1F ZINC000817039427 632548638 /nfs/dbraw/zinc/54/86/38/632548638.db2.gz VHMVXYZFGVSHRK-UHFFFAOYSA-N 0 0 289.306 2.902 20 10 CFCDRN COc1cccc(CNc2ccnc3c2c(C)nn3C)c1O ZINC000817117029 632559374 /nfs/dbraw/zinc/55/93/74/632559374.db2.gz HCINHSBURZUQDG-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN Cc1ccc(C(=O)NC(C)(C)C(C)(C)C)c(O)c1O ZINC000817220924 632574611 /nfs/dbraw/zinc/57/46/11/632574611.db2.gz SWZBFBGQVFXTIO-UHFFFAOYSA-N 0 0 265.353 2.961 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845833100 632577347 /nfs/dbraw/zinc/57/73/47/632577347.db2.gz HWIDVBOYEVETCN-KGLIPLIRSA-N 0 0 259.349 2.835 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC000845832882 632577685 /nfs/dbraw/zinc/57/76/85/632577685.db2.gz HULHOYIYEDYIQO-HAQNSBGRSA-N 0 0 277.364 2.843 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845833105 632577749 /nfs/dbraw/zinc/57/77/49/632577749.db2.gz HWIDVBOYEVETCN-ZIAGYGMSSA-N 0 0 259.349 2.835 20 10 CFCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000817414553 632625161 /nfs/dbraw/zinc/62/51/61/632625161.db2.gz LLEMKXQIXHHPJU-KCJUWKMLSA-N 0 0 273.735 2.530 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413896 632625973 /nfs/dbraw/zinc/62/59/73/632625973.db2.gz DFLTYYMBWPVIMT-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN Fc1cc(CN2CCC[C@@H](F)C2)ccc1N1CCOCC1 ZINC000846119970 632640275 /nfs/dbraw/zinc/64/02/75/632640275.db2.gz LPKIBIHXVLYPMQ-CQSZACIVSA-N 0 0 296.361 2.596 20 10 CFCDRN COc1ccc(N[C@@H](C)c2cccc(OC)c2O)nc1 ZINC000846160011 632649962 /nfs/dbraw/zinc/64/99/62/632649962.db2.gz LQXOUHUKUCFUKN-JTQLQIEISA-N 0 0 274.320 2.978 20 10 CFCDRN CCc1nc(CN[C@@H](C)c2cccc(OC)c2O)co1 ZINC000846169750 632653202 /nfs/dbraw/zinc/65/32/02/632653202.db2.gz SPJLNSMCMOGWDO-JTQLQIEISA-N 0 0 276.336 2.802 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC12CC2 ZINC000817549294 632660228 /nfs/dbraw/zinc/66/02/28/632660228.db2.gz IUDHJIGUSZLWQZ-CQSZACIVSA-N 0 0 271.360 2.687 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC2 ZINC000817547895 632660243 /nfs/dbraw/zinc/66/02/43/632660243.db2.gz TZQPVPFFZMRJBF-ZDUSSCGKSA-N 0 0 259.349 2.931 20 10 CFCDRN Cc1cc(C[N@@H+](CCC(=O)[O-])CC(C)C)ccc1N(C)C ZINC000846264049 632677263 /nfs/dbraw/zinc/67/72/63/632677263.db2.gz NJHKFVPVVQYJOY-UHFFFAOYSA-N 0 0 292.423 2.994 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC12CCCC2 ZINC000846302840 632686846 /nfs/dbraw/zinc/68/68/46/632686846.db2.gz LHKFVKLLWKLTMH-GQCTYLIASA-N 0 0 273.332 2.656 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846311267 632688845 /nfs/dbraw/zinc/68/88/45/632688845.db2.gz VNFBHBXWGANCIS-LBPRGKRZSA-N 0 0 267.279 2.532 20 10 CFCDRN O=C(CSC(F)(F)F)NCc1cc(Cl)ccc1O ZINC000846473560 632715068 /nfs/dbraw/zinc/71/50/68/632715068.db2.gz UBPWZEHSMWNFQR-UHFFFAOYSA-N 0 0 299.701 2.915 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1coc(C2CC2)n1 ZINC000846472600 632715185 /nfs/dbraw/zinc/71/51/85/632715185.db2.gz BBBWJKJOIFJLTP-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN C[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCC1=O ZINC000846473118 632715205 /nfs/dbraw/zinc/71/52/05/632715205.db2.gz ISXBHJFDZNBWLU-ZJUUUORDSA-N 0 0 295.766 2.667 20 10 CFCDRN COC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846474044 632715256 /nfs/dbraw/zinc/71/52/56/632715256.db2.gz RJLFOVBHJNAERY-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846477473 632717121 /nfs/dbraw/zinc/71/71/21/632717121.db2.gz ULPGPFPWRMVOBK-MRVPVSSYSA-N 0 0 253.729 2.708 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C ZINC000817881992 632717209 /nfs/dbraw/zinc/71/72/09/632717209.db2.gz SYTUKONOHQFOHR-IINYFYTJSA-N 0 0 277.364 2.552 20 10 CFCDRN COC[C@H](C)[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476377 632717603 /nfs/dbraw/zinc/71/76/03/632717603.db2.gz KVHAWAUZILISJA-VHSXEESVSA-N 0 0 285.771 2.580 20 10 CFCDRN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881045 632717521 /nfs/dbraw/zinc/71/75/21/632717521.db2.gz FIVWHOMSXXBFSJ-KOLCDFICSA-N 0 0 283.755 2.588 20 10 CFCDRN O=C(/C=C/C1CC1)NCc1cc(Cl)ccc1O ZINC000846477557 632717694 /nfs/dbraw/zinc/71/76/94/632717694.db2.gz UTHZIKOFRLRUJB-ZZXKWVIFSA-N 0 0 251.713 2.628 20 10 CFCDRN CCc1noc(C)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846479051 632718535 /nfs/dbraw/zinc/71/85/35/632718535.db2.gz HRIVICOHRCXJHI-UHFFFAOYSA-N 0 0 294.738 2.834 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1cccc(Cl)c1[O-] ZINC000817960082 632758300 /nfs/dbraw/zinc/75/83/00/632758300.db2.gz KKMXYUWTJJXHSG-CHWSQXEVSA-N 0 0 268.788 2.824 20 10 CFCDRN CC(C)c1n[nH]cc1C(=O)NCc1cc(Cl)ccc1O ZINC000846661067 632766853 /nfs/dbraw/zinc/76/68/53/632766853.db2.gz MMDXKINPONXZCK-UHFFFAOYSA-N 0 0 293.754 2.822 20 10 CFCDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1=CC(=O)CS1 ZINC000846662620 632767846 /nfs/dbraw/zinc/76/78/46/632767846.db2.gz VKPMGZTZYAARSM-JTQLQIEISA-N 0 0 299.392 2.646 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cccc(Cl)c1[O-] ZINC000817976529 632774031 /nfs/dbraw/zinc/77/40/31/632774031.db2.gz NCVBXMZPNVLAJV-OUJBWJOFSA-N 0 0 286.778 2.786 20 10 CFCDRN Cc1ccc2c(c1)N[C@H](c1ccc3c(c1)CCN3C)NC2=O ZINC000846758294 632788127 /nfs/dbraw/zinc/78/81/27/632788127.db2.gz BCYOXVNMPZQLDT-KRWDZBQOSA-N 0 0 293.370 2.841 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cnsn2)cc1 ZINC000846823672 632811468 /nfs/dbraw/zinc/81/14/68/632811468.db2.gz VKCIUUVOFAHQKP-UHFFFAOYSA-N 0 0 263.366 2.963 20 10 CFCDRN CN(Cc1c(F)cccc1F)C(=O)c1cccc(O)c1O ZINC000818545980 632863565 /nfs/dbraw/zinc/86/35/65/632863565.db2.gz RRHWNQJUOHRVAQ-UHFFFAOYSA-N 0 0 293.269 2.648 20 10 CFCDRN CCCCn1ncc(C(=O)Nc2ccc(N)cc2)c1C ZINC000818556380 632865407 /nfs/dbraw/zinc/86/54/07/632865407.db2.gz QCFVXXYTPKJVHU-UHFFFAOYSA-N 0 0 272.352 2.826 20 10 CFCDRN Nc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 ZINC000818556392 632865551 /nfs/dbraw/zinc/86/55/51/632865551.db2.gz QVVGUOBNVAPRBR-NSHDSACASA-N 0 0 289.360 2.829 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)Nc1ccc(N)cc1 ZINC000818556513 632866050 /nfs/dbraw/zinc/86/60/50/632866050.db2.gz XZEUBEJUWYIKCN-UHFFFAOYSA-N 0 0 257.293 2.695 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)[O-] ZINC000818629963 632882962 /nfs/dbraw/zinc/88/29/62/632882962.db2.gz JGSJYWAZLYKQEY-UHFFFAOYSA-N 0 0 296.386 2.872 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C(=O)[O-] ZINC000818631062 632884532 /nfs/dbraw/zinc/88/45/32/632884532.db2.gz BHMYPODHXAJSBL-TVQRCGJNSA-N 0 0 283.755 2.731 20 10 CFCDRN CCOc1cccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1O ZINC000818630616 632885389 /nfs/dbraw/zinc/88/53/89/632885389.db2.gz QZJKAPIZBLIRCW-CYBMUJFWSA-N 0 0 295.379 2.627 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000847074333 632911995 /nfs/dbraw/zinc/91/19/95/632911995.db2.gz AJTAWXCKKXMTJS-HIFRSBDPSA-N 0 0 294.351 2.738 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000819163298 632992806 /nfs/dbraw/zinc/99/28/06/632992806.db2.gz JFFOOOIQQRTWPL-DOMZBBRYSA-N 0 0 279.380 2.839 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCCO1 ZINC000819382842 633141589 /nfs/dbraw/zinc/14/15/89/633141589.db2.gz QNJMWBZWQBWTJX-KVPUOBJLSA-N 0 0 289.375 2.866 20 10 CFCDRN CCCCOc1ccccc1NC[C@H](O)Cn1cccn1 ZINC000819419417 633155720 /nfs/dbraw/zinc/15/57/20/633155720.db2.gz CLMMJABXRUNRKM-AWEZNQCLSA-N 0 0 289.379 2.535 20 10 CFCDRN COCCOc1ccccc1NC[C@@H](O)CCC(C)C ZINC000819425698 633157959 /nfs/dbraw/zinc/15/79/59/633157959.db2.gz HFTPZZHWMVPWHG-AWEZNQCLSA-N 0 0 281.396 2.921 20 10 CFCDRN Cc1nnc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000840383950 633159531 /nfs/dbraw/zinc/15/95/31/633159531.db2.gz BTEHILMYYOHBNT-NSHDSACASA-N 0 0 274.368 2.796 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000819483825 633178559 /nfs/dbraw/zinc/17/85/59/633178559.db2.gz CHEPCHWWBJOWDS-OUCADQQQSA-N 0 0 291.391 2.971 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C)c(O)c1 ZINC000819519871 633200282 /nfs/dbraw/zinc/20/02/82/633200282.db2.gz CDZNBRFACSKVSU-RISCZKNCSA-N 0 0 277.364 2.843 20 10 CFCDRN COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(C)c(O)c1O ZINC000848309046 633238042 /nfs/dbraw/zinc/23/80/42/633238042.db2.gz CSFYQTBWZUIXRM-LLVKDONJSA-N 0 0 295.379 2.587 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1cc2n(n1)CCCC2 ZINC000848538324 633282426 /nfs/dbraw/zinc/28/24/26/633282426.db2.gz WYTBUGIROTUFFZ-UHFFFAOYSA-N 0 0 298.434 2.884 20 10 CFCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)CC(F)(F)F ZINC000852939435 634863614 /nfs/dbraw/zinc/86/36/14/634863614.db2.gz QOZLNNURGBUUBY-UHFFFAOYSA-N 0 0 288.313 2.906 20 10 CFCDRN CCc1cccc(C[N@@H+]2CCOCC23CCC3)c1O ZINC000848887115 633361967 /nfs/dbraw/zinc/36/19/67/633361967.db2.gz NTQKTFNASGJLKC-UHFFFAOYSA-N 0 0 261.365 2.710 20 10 CFCDRN CCc1cccc(CN(CCOC)CC(F)F)c1O ZINC000848886140 633362231 /nfs/dbraw/zinc/36/22/31/633362231.db2.gz TWJZJJGLQBFNBV-UHFFFAOYSA-N 0 0 273.323 2.668 20 10 CFCDRN C/C=C(\C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585161 633395120 /nfs/dbraw/zinc/39/51/20/633395120.db2.gz XCCAGNKCKNHVHF-QJIMOZNHSA-N 0 0 288.391 2.604 20 10 CFCDRN CCc1cccc(CNCc2csc(COC)n2)c1O ZINC000848913495 633397487 /nfs/dbraw/zinc/39/74/87/633397487.db2.gz YNPMTQVJZVBJRN-UHFFFAOYSA-N 0 0 292.404 2.847 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3C[C@@H](C)CCN23)cc1Cl ZINC000849183460 633580217 /nfs/dbraw/zinc/58/02/17/633580217.db2.gz TVBGQPRACAOPQY-ORUWWINDSA-N 0 0 294.782 2.583 20 10 CFCDRN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)c(C)cc1O ZINC000849183158 633580383 /nfs/dbraw/zinc/58/03/83/633580383.db2.gz QEJVMXYVHXORFC-LBPRGKRZSA-N 0 0 282.771 2.583 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCCSC ZINC000108929996 633742575 /nfs/dbraw/zinc/74/25/75/633742575.db2.gz SMQBCJGRZQWZBW-UHFFFAOYSA-N 0 0 282.409 2.677 20 10 CFCDRN COCCc1noc(CSc2ncc(Cl)s2)n1 ZINC000849998845 633786602 /nfs/dbraw/zinc/78/66/02/633786602.db2.gz JULYKSSLZNRBKL-UHFFFAOYSA-N 0 0 291.785 2.661 20 10 CFCDRN CCc1nnc(CSc2ncc(Cl)s2)[nH]1 ZINC000850000384 633787061 /nfs/dbraw/zinc/78/70/61/633787061.db2.gz SQPOGZHSIIWWDM-UHFFFAOYSA-N 0 0 260.775 2.769 20 10 CFCDRN CCN1CC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850001954 633787564 /nfs/dbraw/zinc/78/75/64/633787564.db2.gz QAGFEXSBWVVNPM-LURJTMIESA-N 0 0 262.787 2.509 20 10 CFCDRN CN1CCC[C@@H](CSc2ncc(Cl)s2)C1=O ZINC000850001150 633787600 /nfs/dbraw/zinc/78/76/00/633787600.db2.gz DFELMYGJROJCHX-ZETCQYMHSA-N 0 0 276.814 2.757 20 10 CFCDRN CCC[C@@H](C(=O)OCC(=O)C(C)=O)c1ccc(Cl)cc1 ZINC000850334605 633944030 /nfs/dbraw/zinc/94/40/30/633944030.db2.gz LFFHJFFTPPIPGM-CYBMUJFWSA-N 0 0 296.750 2.925 20 10 CFCDRN CCOc1cccc(CNc2cccc(OC)n2)c1O ZINC000850340019 633946024 /nfs/dbraw/zinc/94/60/24/633946024.db2.gz FXRGVKHPNCNYHX-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850351397 633950668 /nfs/dbraw/zinc/95/06/68/633950668.db2.gz AZSIOYPCGDTGEJ-CJNGLKHVSA-N 0 0 299.422 2.920 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCO[C@H]1CC1(F)F ZINC000850365179 633957408 /nfs/dbraw/zinc/95/74/08/633957408.db2.gz HJNJUAVJIMYRMF-JTQLQIEISA-N 0 0 295.688 2.699 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CCC(O)CC1 ZINC000850395006 633976278 /nfs/dbraw/zinc/97/62/78/633976278.db2.gz LPKRCFXKHMDGDU-UHFFFAOYSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1cn(C)nc1NC/C=C/c1ccc(N(C)C)cc1 ZINC000850419847 633983936 /nfs/dbraw/zinc/98/39/36/633983936.db2.gz HZJQRMKDGVHQPY-AATRIKPKSA-N 0 0 270.380 2.920 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000850484555 634013344 /nfs/dbraw/zinc/01/33/44/634013344.db2.gz LBOCKUDVCZWQFL-WPGHFRTFSA-N 0 0 297.370 2.624 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000850530934 634037771 /nfs/dbraw/zinc/03/77/71/634037771.db2.gz FCLQYINDMQOKQB-SNVBAGLBSA-N 0 0 283.343 2.968 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000850537311 634042265 /nfs/dbraw/zinc/04/22/65/634042265.db2.gz SVNJIQIWWARGSN-LKFCYVNXSA-N 0 0 299.317 2.875 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(F)cc1[O-] ZINC000850545018 634046197 /nfs/dbraw/zinc/04/61/97/634046197.db2.gz DEHITPIRGBECMO-AEGPPILISA-N 0 0 279.355 2.876 20 10 CFCDRN CSCCCCNC(=O)NCc1cc(C)ccc1O ZINC000858232518 636159895 /nfs/dbraw/zinc/15/98/95/636159895.db2.gz TVVXFQQOJIUAGT-UHFFFAOYSA-N 0 0 282.409 2.643 20 10 CFCDRN Cc1cncc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000850550718 634049648 /nfs/dbraw/zinc/04/96/48/634049648.db2.gz PWITXQRFUNKYHX-NSHDSACASA-N 0 0 275.327 2.523 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nccn1C ZINC000850571985 634057437 /nfs/dbraw/zinc/05/74/37/634057437.db2.gz FXAZUCYWWPVFRQ-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(Cl)c1[O-] ZINC000850578606 634059778 /nfs/dbraw/zinc/05/97/78/634059778.db2.gz LZVWGYYILKOGPG-AUTRQRHGSA-N 0 0 255.745 2.610 20 10 CFCDRN CN(Cc1cnn(-c2ccccc2)n1)Cc1ccccc1O ZINC000109773178 634234501 /nfs/dbraw/zinc/23/45/01/634234501.db2.gz UNDGOGUIAJRWNY-UHFFFAOYSA-N 0 0 294.358 2.605 20 10 CFCDRN CSc1cc(C)c(C(=O)NCCc2ccc(N)cc2)o1 ZINC000852797363 634838532 /nfs/dbraw/zinc/83/85/32/634838532.db2.gz QCJBDKKFNVRXDI-UHFFFAOYSA-N 0 0 290.388 2.865 20 10 CFCDRN CC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000853111876 634909932 /nfs/dbraw/zinc/90/99/32/634909932.db2.gz ILHADEFKVYDWBP-UHFFFAOYSA-N 0 0 285.343 2.769 20 10 CFCDRN Oc1ccccc1CNc1nc(C2CCOCC2)ns1 ZINC000853244536 634949293 /nfs/dbraw/zinc/94/92/93/634949293.db2.gz NMAUMNOHWPVCKC-UHFFFAOYSA-N 0 0 291.376 2.750 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1cnc(F)cn1 ZINC000853450778 635003212 /nfs/dbraw/zinc/00/32/12/635003212.db2.gz MLERJAHOJSDBIU-UHFFFAOYSA-N 0 0 274.343 2.708 20 10 CFCDRN CCOC(=O)c1cnc(Sc2nc3c([nH]2)CCC3)s1 ZINC000853645014 635058476 /nfs/dbraw/zinc/05/84/76/635058476.db2.gz JJSHDFLVKWRZBM-UHFFFAOYSA-N 0 0 295.389 2.683 20 10 CFCDRN Cn1cncc1CCOc1ccc(N2CCCC2)cc1 ZINC000853675453 635070731 /nfs/dbraw/zinc/07/07/31/635070731.db2.gz STRKZWRXJPWECP-UHFFFAOYSA-N 0 0 271.364 2.642 20 10 CFCDRN OC1CCN(c2ccc(CNc3ccccn3)cc2)CC1 ZINC000853954442 635176913 /nfs/dbraw/zinc/17/69/13/635176913.db2.gz DXQOBDYDGVYKLY-UHFFFAOYSA-N 0 0 283.375 2.655 20 10 CFCDRN O=C([O-])[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCC1 ZINC000854248539 635271626 /nfs/dbraw/zinc/27/16/26/635271626.db2.gz XIYVLSAWXOMHAN-LBPRGKRZSA-N 0 0 283.755 2.636 20 10 CFCDRN CSC(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000854271521 635277931 /nfs/dbraw/zinc/27/79/31/635277931.db2.gz KHCWIESWMMMTTI-UHFFFAOYSA-N 0 0 266.410 2.510 20 10 CFCDRN C[C@H](Cc1ccco1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000854271627 635278800 /nfs/dbraw/zinc/27/88/00/635278800.db2.gz 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/nfs/dbraw/zinc/43/74/91/635437491.db2.gz LZTCBCZFMXZYIM-FYGOAMBHSA-N 0 0 299.330 2.596 20 10 CFCDRN C[C@@H]1C[C@H]1c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000855001902 635437813 /nfs/dbraw/zinc/43/78/13/635437813.db2.gz LZTCBCZFMXZYIM-DREQKGALSA-N 0 0 299.330 2.596 20 10 CFCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](C)C(=O)OC(C)(C)C ZINC000855190957 635482593 /nfs/dbraw/zinc/48/25/93/635482593.db2.gz RHPCAQGOEAMOBT-SECBINFHSA-N 0 0 299.392 2.646 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C)C2)cc1 ZINC000855233414 635490340 /nfs/dbraw/zinc/49/03/40/635490340.db2.gz YJERBJPWSQPIOP-CYBMUJFWSA-N 0 0 290.407 2.826 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC([C@H]2CCCCO2)CC1 ZINC000855946958 635695622 /nfs/dbraw/zinc/69/56/22/635695622.db2.gz YGEPUHZVJRIOPI-CYBMUJFWSA-N 0 0 295.404 2.875 20 10 CFCDRN CN(C[C@@H]1CC1(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856458247 635815408 /nfs/dbraw/zinc/81/54/08/635815408.db2.gz IIRYWLYOWGKTNT-HWPRWLFBSA-N 0 0 275.348 2.616 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(F)c2)c1 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CN(C)c1ccc(/C=C\C[NH2+]CCCCC(=O)[O-])cc1 ZINC000874042189 642324550 /nfs/dbraw/zinc/32/45/50/642324550.db2.gz XPUVKLDZCUOJPU-WAYWQWQTSA-N 0 0 276.380 2.610 20 10 CFCDRN CC(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874162924 642347000 /nfs/dbraw/zinc/34/70/00/642347000.db2.gz OAKDIBGSILQDBW-UHFFFAOYSA-N 0 0 262.313 2.625 20 10 CFCDRN CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC000874191331 642350403 /nfs/dbraw/zinc/35/04/03/642350403.db2.gz FQIIEPVXYNGZDY-UHFFFAOYSA-N 0 0 274.324 2.912 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000874213475 642352168 /nfs/dbraw/zinc/35/21/68/642352168.db2.gz RMPZAHQIOJCROH-LLVKDONJSA-N 0 0 286.335 2.935 20 10 CFCDRN COc1ccc(N(CCC2OCCO2)C(C)C)cc1F ZINC000124898128 642353126 /nfs/dbraw/zinc/35/31/26/642353126.db2.gz AWHVFBPFQMCZQC-UHFFFAOYSA-N 0 0 283.343 2.812 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)OC)cc1 ZINC000195375077 650750011 /nfs/dbraw/zinc/75/00/11/650750011.db2.gz QQILPSYEXXONHR-CYBMUJFWSA-N 0 0 278.396 2.574 20 10 CFCDRN O=C(NCC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000874981233 642571025 /nfs/dbraw/zinc/57/10/25/642571025.db2.gz XAWGMOGBBLHFMI-UHFFFAOYSA-N 0 0 274.364 2.998 20 10 CFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000875012916 642576197 /nfs/dbraw/zinc/57/61/97/642576197.db2.gz QRNCTXTWWBJMHQ-LLVKDONJSA-N 0 0 283.331 2.574 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccc[nH]1 ZINC000875432527 642622270 /nfs/dbraw/zinc/62/22/70/642622270.db2.gz KWOPGMXTCINVTK-JTQLQIEISA-N 0 0 271.320 2.507 20 10 CFCDRN O=C(NC[C@H]1CCCCS1)N1Cc2cccc(O)c2C1 ZINC000875482007 642628300 /nfs/dbraw/zinc/62/83/00/642628300.db2.gz VKFILXIIVOLNKZ-GFCCVEGCSA-N 0 0 292.404 2.703 20 10 CFCDRN O=C(NCCC1(F)CCC1)N1Cc2cccc(O)c2C1 ZINC000875583251 642645630 /nfs/dbraw/zinc/64/56/30/642645630.db2.gz KIXXZLGJJSAALQ-UHFFFAOYSA-N 0 0 278.327 2.700 20 10 CFCDRN O=C(NC[C@H]1CCCSC1)N1Cc2cccc(O)c2C1 ZINC000875584947 642646539 /nfs/dbraw/zinc/64/65/39/642646539.db2.gz OMQJTGPPKCHQKO-LLVKDONJSA-N 0 0 292.404 2.561 20 10 CFCDRN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000875662839 642661429 /nfs/dbraw/zinc/66/14/29/642661429.db2.gz JAXLMJRZLHMUCS-OSMZGAPFSA-N 0 0 272.348 2.606 20 10 CFCDRN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875692634 642667305 /nfs/dbraw/zinc/66/73/05/642667305.db2.gz OUHCMFZEBQGTRC-WCFLWFBJSA-N 0 0 272.348 2.606 20 10 CFCDRN O=C(NCCCc1ccco1)N1Cc2cccc(O)c2C1 ZINC000875751621 642679560 /nfs/dbraw/zinc/67/95/60/642679560.db2.gz XLESSTNBPILENP-UHFFFAOYSA-N 0 0 286.331 2.643 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000875769526 642686150 /nfs/dbraw/zinc/68/61/50/642686150.db2.gz RJYSVOQGLVIMQO-VNHYZAJKSA-N 0 0 288.391 2.970 20 10 CFCDRN O=C(NC[C@H]1CCCC12CC2)N1Cc2cccc(O)c2C1 ZINC000875915705 642714448 /nfs/dbraw/zinc/71/44/48/642714448.db2.gz QOTQVTOKAGKKFT-CYBMUJFWSA-N 0 0 286.375 2.998 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCSC1 ZINC000875940415 642721429 /nfs/dbraw/zinc/72/14/29/642721429.db2.gz WWXSIKGYDABBLO-LBPRGKRZSA-N 0 0 294.420 2.677 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCS1 ZINC000876053384 642760544 /nfs/dbraw/zinc/76/05/44/642760544.db2.gz SLZXJUOJPYKDIK-ZDUSSCGKSA-N 0 0 294.420 2.819 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCC2(CC2)C1 ZINC000888698448 642772387 /nfs/dbraw/zinc/77/23/87/642772387.db2.gz MTVATLOTTVKEPJ-RYWCDNDXSA-N 0 0 287.359 2.950 20 10 CFCDRN C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000876764879 642999331 /nfs/dbraw/zinc/99/93/31/642999331.db2.gz OSGCDYBLSBVHPO-ZYHUDNBSSA-N 0 0 284.350 2.585 20 10 CFCDRN Cc1cccc(O)c1CN1CC(=O)N(Cc2ccccc2)C1 ZINC000876815170 643022718 /nfs/dbraw/zinc/02/27/18/643022718.db2.gz NISSTNFAJQBEAO-UHFFFAOYSA-N 0 0 296.370 2.503 20 10 CFCDRN COc1ccc(C)cc1NC(=O)c1cccc(O)c1O ZINC000126210976 643051193 /nfs/dbraw/zinc/05/11/93/643051193.db2.gz KUPXXYNBTLOVAL-UHFFFAOYSA-N 0 0 273.288 2.667 20 10 CFCDRN Cc1cccc(C)c1NC(=O)c1cccc(O)c1O ZINC000126230439 643056988 /nfs/dbraw/zinc/05/69/88/643056988.db2.gz WOZNBCPTRXVHET-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCC[C@@H](C)C1 ZINC000876932123 643069317 /nfs/dbraw/zinc/06/93/17/643069317.db2.gz DOQSYCGKVIOGCT-VXGBXAGGSA-N 0 0 298.377 2.880 20 10 CFCDRN CCN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000126241774 643075595 /nfs/dbraw/zinc/07/55/95/643075595.db2.gz IWKNZNZZMZIXHQ-UHFFFAOYSA-N 0 0 271.316 2.760 20 10 CFCDRN CN(C)c1ccc(CNCc2ccc(Cl)nn2)cc1F ZINC000876989309 643095272 /nfs/dbraw/zinc/09/52/72/643095272.db2.gz RUVSCUDEOQEUCH-UHFFFAOYSA-N 0 0 294.761 2.625 20 10 CFCDRN CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877050972 643121446 /nfs/dbraw/zinc/12/14/46/643121446.db2.gz PXMNRNAUGLHCJY-HNNXBMFYSA-N 0 0 287.350 2.947 20 10 CFCDRN C[C@@H](Cc1ccco1)C(=O)N(C)c1ccc(N)cc1 ZINC000877074332 643136679 /nfs/dbraw/zinc/13/66/79/643136679.db2.gz HEQNKFMGAAMNGR-NSHDSACASA-N 0 0 258.321 2.703 20 10 CFCDRN CCn1cc(C(=O)N(C)c2ccc(N)cc2)c(C2CC2)n1 ZINC000877077096 643138395 /nfs/dbraw/zinc/13/83/95/643138395.db2.gz XCLKFRRMFNJCMR-UHFFFAOYSA-N 0 0 284.363 2.639 20 10 CFCDRN CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877135473 643170711 /nfs/dbraw/zinc/17/07/11/643170711.db2.gz DNKKCXFFINQEIJ-YPMHNXCESA-N 0 0 285.334 2.964 20 10 CFCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877135472 643171041 /nfs/dbraw/zinc/17/10/41/643171041.db2.gz DNKKCXFFINQEIJ-WCQYABFASA-N 0 0 285.334 2.964 20 10 CFCDRN COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877325986 643240110 /nfs/dbraw/zinc/24/01/10/643240110.db2.gz PIXHLCYEBOBUCI-UHFFFAOYSA-N 0 0 294.301 2.706 20 10 CFCDRN CCOC(=O)[C@H](C)N(Cc1ccc(C)cc1O)C1CC1 ZINC000877467990 643287824 /nfs/dbraw/zinc/28/78/24/643287824.db2.gz VLEZYFREWVBCCN-LBPRGKRZSA-N 0 0 277.364 2.617 20 10 CFCDRN C/C=C\C[C@H](NCc1ccc(C)cc1O)C(=O)OCC ZINC000877476637 643294996 /nfs/dbraw/zinc/29/49/96/643294996.db2.gz JPSJFNOPWRXKGJ-SDQPKGBYSA-N 0 0 277.364 2.688 20 10 CFCDRN CO[C@]1(CN(C)c2ccc(OC(C)C)cc2)CCOC1 ZINC000877478353 643295479 /nfs/dbraw/zinc/29/54/79/643295479.db2.gz NKNFZUFNCKEGOZ-INIZCTEOSA-N 0 0 279.380 2.716 20 10 CFCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877521672 643326250 /nfs/dbraw/zinc/32/62/50/643326250.db2.gz GVTPBWOZGYLZOP-SMDDNHRTSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H](CO)Cc2ccccc21 ZINC000877543340 643345597 /nfs/dbraw/zinc/34/55/97/643345597.db2.gz DTXDAEOJMMGTMO-AWEZNQCLSA-N 0 0 283.371 2.872 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(CF)CCOCC2)ccc(F)c1F ZINC000877565555 643365706 /nfs/dbraw/zinc/36/57/06/643365706.db2.gz JEGYJAWICUUBMN-UHFFFAOYSA-N 0 0 289.297 2.526 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CO)CC(C)(C)C ZINC000877569940 643367808 /nfs/dbraw/zinc/36/78/08/643367808.db2.gz APMMCJOTOWOWBE-NSHDSACASA-N 0 0 287.350 2.899 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877596668 643388887 /nfs/dbraw/zinc/38/88/87/643388887.db2.gz VWMAJFPHUGQKKO-GHMZBOCLSA-N 0 0 271.307 2.718 20 10 CFCDRN CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877596670 643389680 /nfs/dbraw/zinc/38/96/80/643389680.db2.gz VWMAJFPHUGQKKO-MNOVXSKESA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1ccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c(O)c1 ZINC000877626472 643412001 /nfs/dbraw/zinc/41/20/01/643412001.db2.gz WCCKCVLDUUDCHQ-IYBDPMFKSA-N 0 0 261.365 2.559 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](C)O1 ZINC000877682908 643450841 /nfs/dbraw/zinc/45/08/41/643450841.db2.gz QWLKSTXVFMHDLT-LWINAJNOSA-N 0 0 273.735 2.840 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877682082 643451111 /nfs/dbraw/zinc/45/11/11/643451111.db2.gz LNQPTCIPEWLBAM-AQUXLQGKSA-N 0 0 279.767 2.559 20 10 CFCDRN CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])COC1 ZINC000877691739 643457468 /nfs/dbraw/zinc/45/74/68/643457468.db2.gz UVVKAUBOSUDIOD-UHFFFAOYSA-N 0 0 262.136 2.578 20 10 CFCDRN Cc1nc(F)ccc1CN1Cc2cccc(O)c2C1 ZINC000877702915 643467179 /nfs/dbraw/zinc/46/71/79/643467179.db2.gz JRGAUWYCWFAYGV-UHFFFAOYSA-N 0 0 258.296 2.751 20 10 CFCDRN COC(=O)c1cc(CN2Cc3cccc(O)c3C2)c(C)o1 ZINC000877703097 643468944 /nfs/dbraw/zinc/46/89/44/643468944.db2.gz RHFMXBLBHKDBGM-UHFFFAOYSA-N 0 0 287.315 2.596 20 10 CFCDRN Oc1cccc2c1CN(Cc1cccc3c1OCO3)C2 ZINC000877703565 643469071 /nfs/dbraw/zinc/46/90/71/643469071.db2.gz OUAXDTMJRBBMAD-UHFFFAOYSA-N 0 0 269.300 2.637 20 10 CFCDRN COC(=O)C[C@@](C)([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000877706120 643472629 /nfs/dbraw/zinc/47/26/29/643472629.db2.gz AFNANSCJSVVCCD-OAHLLOKOSA-N 0 0 297.782 2.867 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCCCC2CC2)ccc1[N+](=O)[O-] ZINC000877730096 643491072 /nfs/dbraw/zinc/49/10/72/643491072.db2.gz MGNNCRHGRIACKS-UHFFFAOYSA-N 0 0 294.351 2.979 20 10 CFCDRN Cc1c(Cl)c(CN[C@@H](C)c2ccccc2O)nn1C ZINC000877758008 643539096 /nfs/dbraw/zinc/53/90/96/643539096.db2.gz CPZWUPHYKLBCTE-VIFPVBQESA-N 0 0 279.771 2.938 20 10 CFCDRN COc1ccc([C@@H]2Nc3ccc(C)cc3C(=O)N2)c(O)c1 ZINC000877861142 643610347 /nfs/dbraw/zinc/61/03/47/643610347.db2.gz GRJGGGKMXSDZPV-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)NC2=O ZINC000877862869 643611504 /nfs/dbraw/zinc/61/15/04/643611504.db2.gz BXBZZUJXPKOUED-INIZCTEOSA-N 0 0 281.359 2.915 20 10 CFCDRN CCOc1ccc(O)c([C@H]2Nc3ccc(C)cc3C(=O)N2)c1 ZINC000877864836 643612566 /nfs/dbraw/zinc/61/25/66/643612566.db2.gz TZGJDCBWSVPNKD-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN CCc1ccc(NCc2cccc(OC)c2O)nc1 ZINC000877871948 643613097 /nfs/dbraw/zinc/61/30/97/643613097.db2.gz YMOWIABYJXMNNW-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN COc1ccc(O)c([C@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877865204 643613300 /nfs/dbraw/zinc/61/33/00/643613300.db2.gz XWZLVFCDIITEPM-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)Nc2ncccc2C)cc1 ZINC000878123677 643748269 /nfs/dbraw/zinc/74/82/69/643748269.db2.gz DCWZXYRYFUNHQR-UHFFFAOYSA-N 0 0 299.374 2.864 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)o1 ZINC000878277507 643818437 /nfs/dbraw/zinc/81/84/37/643818437.db2.gz SAFOBWYIDYOQIG-UHFFFAOYSA-N 0 0 272.304 2.530 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnc(CC2CC2)s1 ZINC000878559822 643941414 /nfs/dbraw/zinc/94/14/14/643941414.db2.gz SWQYJJNLEMWHPO-UHFFFAOYSA-N 0 0 288.372 2.731 20 10 CFCDRN COc1ccc(N(CC2CC2)C[C@H]2CCc3ncnn32)cc1 ZINC000878675423 643987537 /nfs/dbraw/zinc/98/75/37/643987537.db2.gz PBMLUBHGRHMEGG-OAHLLOKOSA-N 0 0 298.390 2.691 20 10 CFCDRN CCOC[C@@H](O)CN(CC1CC1)c1ccc(OCC)cc1 ZINC000879116850 644148997 /nfs/dbraw/zinc/14/89/97/644148997.db2.gz BICGUQGQUNITLY-INIZCTEOSA-N 0 0 293.407 2.699 20 10 CFCDRN CCOc1ccc(N(Cc2cnn(C)n2)CC2CC2)cc1 ZINC000879117196 644149060 /nfs/dbraw/zinc/14/90/60/644149060.db2.gz LGANGCLGJROXQT-UHFFFAOYSA-N 0 0 286.379 2.630 20 10 CFCDRN Cc1cc(CN(C)OCC(F)(F)F)ccc1N(C)C ZINC000879515713 644299425 /nfs/dbraw/zinc/29/94/25/644299425.db2.gz BAWSXFHSPGSNGT-UHFFFAOYSA-N 0 0 276.302 2.987 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cc(OCC)ccc1O ZINC000092380537 650919062 /nfs/dbraw/zinc/91/90/62/650919062.db2.gz DCMXOSKDEVGEQH-UHFFFAOYSA-N 0 0 295.379 2.566 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000248612949 650940311 /nfs/dbraw/zinc/94/03/11/650940311.db2.gz YBCSAZARJXBSDE-BZPMIXESSA-N 0 0 291.391 2.971 20 10 CFCDRN Cc1nc(-c2cn(Cc3ccc(N(C)C)cc3)nn2)cs1 ZINC000881270854 644940554 /nfs/dbraw/zinc/94/05/54/644940554.db2.gz CMIFIZBRFCYNME-UHFFFAOYSA-N 0 0 299.403 2.824 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(C(C)(C)OC)nn2)cc1 ZINC000881313253 644949840 /nfs/dbraw/zinc/94/98/40/644949840.db2.gz GBVITQYZIRXBGL-UHFFFAOYSA-N 0 0 288.395 2.664 20 10 CFCDRN CCCC(=O)c1cn(Cc2ccc(N(C)CC)cc2)nn1 ZINC000881313412 644950336 /nfs/dbraw/zinc/95/03/36/644950336.db2.gz LRVBCARGTAZITI-UHFFFAOYSA-N 0 0 286.379 2.765 20 10 CFCDRN CC(C)[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881394504 644967452 /nfs/dbraw/zinc/96/74/52/644967452.db2.gz OTOOELYJJOXDFF-NSHDSACASA-N 0 0 260.341 2.656 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440481 644975482 /nfs/dbraw/zinc/97/54/82/644975482.db2.gz CQASDTDFHBVMPT-UHIISALHSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@H](Nc1ncc(C=O)cn1)c1ccc(N(C)C)cc1 ZINC000882202649 645242771 /nfs/dbraw/zinc/24/27/71/645242771.db2.gz FPWAYZKMTAIRDR-NSHDSACASA-N 0 0 270.336 2.528 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000882935694 645516248 /nfs/dbraw/zinc/51/62/48/645516248.db2.gz AASCBXWGHXWWQS-ZDUSSCGKSA-N 0 0 291.297 2.764 20 10 CFCDRN CCN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882991807 645548256 /nfs/dbraw/zinc/54/82/56/645548256.db2.gz ILTBQJVAUFOANT-CYBMUJFWSA-N 0 0 284.350 2.634 20 10 CFCDRN Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883016189 645563409 /nfs/dbraw/zinc/56/34/09/645563409.db2.gz QHSAXTSLKQIUNX-QMMMGPOBSA-N 0 0 296.317 2.996 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]2CCCO[C@@H]21 ZINC000883018401 645565716 /nfs/dbraw/zinc/56/57/16/645565716.db2.gz BIQFDXDARYXDCO-DFBGVHRSSA-N 0 0 297.345 2.964 20 10 CFCDRN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026173 645568363 /nfs/dbraw/zinc/56/83/63/645568363.db2.gz KUZCIJXUCJKONA-SKDRFNHKSA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1cccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883049869 645582163 /nfs/dbraw/zinc/58/21/63/645582163.db2.gz XNXYTBXFANZTMP-OAHLLOKOSA-N 0 0 293.313 2.802 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cnn(CC2CC2)c1 ZINC000883078005 645594667 /nfs/dbraw/zinc/59/46/67/645594667.db2.gz DLYRZAMZTQRQFS-UHFFFAOYSA-N 0 0 279.290 2.889 20 10 CFCDRN C[C@H](CCO)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883083392 645596850 /nfs/dbraw/zinc/59/68/50/645596850.db2.gz KJZFQTHWNCAZBC-LLVKDONJSA-N 0 0 299.361 2.949 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000883089475 645600227 /nfs/dbraw/zinc/60/02/27/645600227.db2.gz LANPAHIAYVOTOI-HOTGVXAUSA-N 0 0 297.345 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000883106190 645606662 /nfs/dbraw/zinc/60/66/62/645606662.db2.gz KTAUGFKMYCNCGF-UHFFFAOYSA-N 0 0 297.345 2.703 20 10 CFCDRN CCC(CC)(CCO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883112709 645608762 /nfs/dbraw/zinc/60/87/62/645608762.db2.gz VCAQSQHATHTNCG-UHFFFAOYSA-N 0 0 273.323 2.701 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)c2ccsc2)c1O ZINC000131031873 645611136 /nfs/dbraw/zinc/61/11/36/645611136.db2.gz YLRHSBJEIZLIMV-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2nccn21 ZINC000883135901 645621387 /nfs/dbraw/zinc/62/13/87/645621387.db2.gz PLJSQQOMDXILIR-QPUJVOFHSA-N 0 0 279.290 2.663 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883157567 645630881 /nfs/dbraw/zinc/63/08/81/645630881.db2.gz CFZHHXGFXDBZIQ-CHWSQXEVSA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000883170028 645637156 /nfs/dbraw/zinc/63/71/56/645637156.db2.gz JNYLMSWSBXHTPE-LSDHHAIUSA-N 0 0 291.297 2.938 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000883170025 645637301 /nfs/dbraw/zinc/63/73/01/645637301.db2.gz JNYLMSWSBXHTPE-CABCVRRESA-N 0 0 291.297 2.938 20 10 CFCDRN Cc1nccnc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883203995 645662386 /nfs/dbraw/zinc/66/23/86/645662386.db2.gz QCFQXGQIANZWJX-VIFPVBQESA-N 0 0 279.290 2.620 20 10 CFCDRN COc1ccc(CN[C@H](C)C(F)F)cc1Cn1cccn1 ZINC000883408409 645803601 /nfs/dbraw/zinc/80/36/01/645803601.db2.gz VVCWARZHQLVNKQ-LLVKDONJSA-N 0 0 295.333 2.683 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@]2(C)CC2(C)C)c1 ZINC000883412111 645808058 /nfs/dbraw/zinc/80/80/58/645808058.db2.gz QTSHUOPQFHGBDG-INIZCTEOSA-N 0 0 292.379 2.636 20 10 CFCDRN CCSCCN(C)c1ccc(OC)cc1OC ZINC000132012068 645863121 /nfs/dbraw/zinc/86/31/21/645863121.db2.gz MOLAUIVSFAQKQW-UHFFFAOYSA-N 0 0 255.383 2.893 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C=CCC2)c1 ZINC000883779882 645968681 /nfs/dbraw/zinc/96/86/81/645968681.db2.gz GPCYWECRZQWJRC-VXGBXAGGSA-N 0 0 290.363 2.727 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C=CCC1 ZINC000883784607 645971162 /nfs/dbraw/zinc/97/11/62/645971162.db2.gz XAPYRPXCPZRFKI-SNVBAGLBSA-N 0 0 280.755 2.811 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1C=CCC1)c1ccccc1O ZINC000883785388 645972092 /nfs/dbraw/zinc/97/20/92/645972092.db2.gz QIZVTCNCAHIXNA-RYUDHWBXSA-N 0 0 260.337 2.719 20 10 CFCDRN C=C/C=C/CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000883830781 645993157 /nfs/dbraw/zinc/99/31/57/645993157.db2.gz VHPBGUINDNBHDX-ITKZLYELSA-N 0 0 260.337 2.885 20 10 CFCDRN C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133074609 646020934 /nfs/dbraw/zinc/02/09/34/646020934.db2.gz BQZXABNOUMPFRT-NSHDSACASA-N 0 0 289.206 2.883 20 10 CFCDRN Cc1ccc(C(=O)Nc2cnn(C3CCC3)c2)c(O)c1O ZINC000889058016 646069013 /nfs/dbraw/zinc/06/90/13/646069013.db2.gz GXKIUJRMGLIUNY-UHFFFAOYSA-N 0 0 287.319 2.580 20 10 CFCDRN CC1(C)CC[C@@H](CC(=O)NCCc2ccc(N)cc2)OC1 ZINC000884028769 646119639 /nfs/dbraw/zinc/11/96/39/646119639.db2.gz QSHNWFTVFVJFBB-HNNXBMFYSA-N 0 0 290.407 2.523 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1cc(Cl)ccc1O ZINC000133905760 646253822 /nfs/dbraw/zinc/25/38/22/646253822.db2.gz RYOCSTKJGLQPSN-UHFFFAOYSA-N 0 0 268.788 2.573 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCc1nccc(N)n1 ZINC000134494834 646352531 /nfs/dbraw/zinc/35/25/31/646352531.db2.gz IKCJRAIXJSLMIZ-UHFFFAOYSA-N 0 0 297.387 2.752 20 10 CFCDRN CN(C(=O)C[C@@H]1CCC(C)(C)CO1)c1ccc(N)cc1 ZINC000884441630 646359855 /nfs/dbraw/zinc/35/98/55/646359855.db2.gz MJLZRWLMVUJVQT-AWEZNQCLSA-N 0 0 276.380 2.827 20 10 CFCDRN CC(C)(CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000135228277 646490651 /nfs/dbraw/zinc/49/06/51/646490651.db2.gz ZCLGIUIAKLYMTL-UHFFFAOYSA-N 0 0 278.179 2.950 20 10 CFCDRN COCCOC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000885188573 646633214 /nfs/dbraw/zinc/63/32/14/646633214.db2.gz ALKHBQZBINDTBD-UHFFFAOYSA-N 0 0 294.134 2.572 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCCCC1)c1c([O-])cccc1F ZINC000886498461 647020127 /nfs/dbraw/zinc/02/01/27/647020127.db2.gz CILOOHVWXUTTDQ-GFCCVEGCSA-N 0 0 266.360 2.668 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886508613 647023473 /nfs/dbraw/zinc/02/34/73/647023473.db2.gz HMUAFCOGVWSBCQ-GHMZBOCLSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CC1CCOCC1)c1c([O-])cccc1F ZINC000886519510 647026733 /nfs/dbraw/zinc/02/67/33/647026733.db2.gz WMWGAPRZLDLDDG-SNVBAGLBSA-N 0 0 253.317 2.609 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522950 647027855 /nfs/dbraw/zinc/02/78/55/647027855.db2.gz UFKWPZFPDITYNZ-MWLCHTKSSA-N 0 0 277.343 2.985 20 10 CFCDRN Cc1cc(CN[C@H](C)c2c(O)cccc2F)on1 ZINC000886522674 647027868 /nfs/dbraw/zinc/02/78/68/647027868.db2.gz OSEWLTAXTCRJRQ-SECBINFHSA-N 0 0 250.273 2.679 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1c([O-])cccc1F ZINC000886524381 647029278 /nfs/dbraw/zinc/02/92/78/647029278.db2.gz JRIHXQPVRYJFIO-QWRGUYRKSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886524972 647029379 /nfs/dbraw/zinc/02/93/79/647029379.db2.gz UWQVOIDMVNZWSH-JSGCOSHPSA-N 0 0 289.350 2.786 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526187 647029889 /nfs/dbraw/zinc/02/98/89/647029889.db2.gz HCTAEGBIHUNUEZ-HZMBPMFUSA-N 0 0 269.360 2.979 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526188 647030040 /nfs/dbraw/zinc/03/00/40/647030040.db2.gz HCTAEGBIHUNUEZ-IINYFYTJSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526927 647030075 /nfs/dbraw/zinc/03/00/75/647030075.db2.gz VEZWQSILFGSYMW-PGUXBMHVSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532592 647033457 /nfs/dbraw/zinc/03/34/57/647033457.db2.gz LQQHQPIFNPMGSU-ZYHUDNBSSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H](NCc1csc(N(C)C)n1)c1c(O)cccc1F ZINC000886534801 647034198 /nfs/dbraw/zinc/03/41/98/647034198.db2.gz OSFMTCYBSFDWSB-VIFPVBQESA-N 0 0 295.383 2.905 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886535419 647034951 /nfs/dbraw/zinc/03/49/51/647034951.db2.gz ZXBNVAMAJSHNPX-GXFFZTMASA-N 0 0 255.333 2.853 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1c([O-])cccc1F ZINC000886540938 647037625 /nfs/dbraw/zinc/03/76/25/647037625.db2.gz NEIKTOPTLJCQJA-FZMZJTMJSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886540779 647037965 /nfs/dbraw/zinc/03/79/65/647037965.db2.gz KSLHXHPCIKVUJO-WOPDTQHZSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886560256 647047268 /nfs/dbraw/zinc/04/72/68/647047268.db2.gz SNSYCMGFNWLNBV-OUAUKWLOSA-N 0 0 253.317 2.749 20 10 CFCDRN CCOC(CC[NH2+][C@H](C)c1c([O-])cccc1F)OCC ZINC000886597109 647060480 /nfs/dbraw/zinc/06/04/80/647060480.db2.gz WMRVYGGLEOXSHH-LLVKDONJSA-N 0 0 285.359 2.971 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1c([O-])cccc1F ZINC000886600862 647062464 /nfs/dbraw/zinc/06/24/64/647062464.db2.gz CZWSCZNMCBTMNE-SCVCMEIPSA-N 0 0 253.317 2.607 20 10 CFCDRN CCn1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1=O ZINC000886603287 647063066 /nfs/dbraw/zinc/06/30/66/647063066.db2.gz KUFZSMNAKCPOIG-LLVKDONJSA-N 0 0 290.338 2.564 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1c([O-])cccc1F ZINC000886609573 647065251 /nfs/dbraw/zinc/06/52/51/647065251.db2.gz WOWCLJHUXOKGSR-SDDRHHMPSA-N 0 0 267.344 2.855 20 10 CFCDRN Cc1nnc(CC[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886611205 647066342 /nfs/dbraw/zinc/06/63/42/647066342.db2.gz WCLLKBXVHROCFK-MRVPVSSYSA-N 0 0 281.356 2.585 20 10 CFCDRN CC(C)c1nnc(CN[C@H](C)c2c(O)cccc2F)[nH]1 ZINC000886617269 647069826 /nfs/dbraw/zinc/06/98/26/647069826.db2.gz JCXBAWIEHQJMCS-SECBINFHSA-N 0 0 278.331 2.624 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886616189 647069880 /nfs/dbraw/zinc/06/98/80/647069880.db2.gz WNCHYUSJJJJGKF-SKDRFNHKSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886625356 647075260 /nfs/dbraw/zinc/07/52/60/647075260.db2.gz OILIOHHRLKXUBR-WISYIIOYSA-N 0 0 267.344 2.995 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886631028 647077011 /nfs/dbraw/zinc/07/70/11/647077011.db2.gz AMCRTQYKYGLRNL-GVXVVHGQSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1c([O-])cccc1F ZINC000886638260 647081303 /nfs/dbraw/zinc/08/13/03/647081303.db2.gz PDLRXYSMYOAUJU-JQWIXIFHSA-N 0 0 267.344 2.591 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886641496 647083101 /nfs/dbraw/zinc/08/31/01/647083101.db2.gz KYHUSIUJLFWHOK-RYUDHWBXSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886641885 647083933 /nfs/dbraw/zinc/08/39/33/647083933.db2.gz UVJKMMJYFQIYNZ-NWDGAFQWSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1c([O-])cccc1F ZINC000886644426 647085038 /nfs/dbraw/zinc/08/50/38/647085038.db2.gz CQPKINVEJKWTJX-NWDGAFQWSA-N 0 0 297.370 2.971 20 10 CFCDRN CSCc1nnc(C[NH2+][C@H](C)c2cc(C)ccc2O)[n-]1 ZINC000886757379 647127804 /nfs/dbraw/zinc/12/78/04/647127804.db2.gz FEOFHGOEZBTAHV-SNVBAGLBSA-N 0 0 292.408 2.533 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCOC1 ZINC000886789459 647137554 /nfs/dbraw/zinc/13/75/54/647137554.db2.gz VLXRVYBHTCVRCC-JMSVASOKSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@@H](NCC(F)(F)C(F)F)c1ccccc1O ZINC000223659819 647382381 /nfs/dbraw/zinc/38/23/81/647382381.db2.gz DPAVETYVSBPNDW-SSDOTTSWSA-N 0 0 251.223 2.943 20 10 CFCDRN CCc1cnc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000223740175 647388625 /nfs/dbraw/zinc/38/86/25/647388625.db2.gz OXFHFCGASCGIRS-SNVBAGLBSA-N 0 0 276.336 2.802 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000890461298 647804666 /nfs/dbraw/zinc/80/46/66/647804666.db2.gz AHEREXKQNNFJCG-SAXRGWBVSA-N 0 0 286.375 2.710 20 10 CFCDRN c1ccc2c(c1)CCN2Cc1cccc2c1OCO2 ZINC000008675498 647874052 /nfs/dbraw/zinc/87/40/52/647874052.db2.gz CKAOLDVTVSHXPU-UHFFFAOYSA-N 0 0 253.301 2.978 20 10 CFCDRN Cc1ccc(NCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])nc1 ZINC000927073119 648698682 /nfs/dbraw/zinc/69/86/82/648698682.db2.gz JDRCUJBUKXDQFE-LBPRGKRZSA-N 0 0 289.354 2.997 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1[O-] ZINC000927101698 648712367 /nfs/dbraw/zinc/71/23/67/648712367.db2.gz LZDKUCIDIYNWIA-JTQLQIEISA-N 0 0 289.354 2.993 20 10 CFCDRN C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000927232940 648742352 /nfs/dbraw/zinc/74/23/52/648742352.db2.gz QGZCFIZOJYLQMD-JQWIXIFHSA-N 0 0 292.404 2.702 20 10 CFCDRN C[C@@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccccc1O ZINC000927710486 648821314 /nfs/dbraw/zinc/82/13/14/648821314.db2.gz IIWFBAIMEJXVGO-HSMVNMDESA-N 0 0 274.364 2.943 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C(F)=C1CCC1 ZINC000928705279 648944963 /nfs/dbraw/zinc/94/49/63/648944963.db2.gz FTNLZIUVOQWYSZ-UHFFFAOYSA-N 0 0 253.248 2.555 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1(C2CC2)CCC1 ZINC000928709553 648945969 /nfs/dbraw/zinc/94/59/69/648945969.db2.gz JNOHFOZCGFWARG-UHFFFAOYSA-N 0 0 263.312 2.728 20 10 CFCDRN CC1(C(=O)NCc2c(O)cccc2F)CC(F)(F)C1 ZINC000928709840 648946169 /nfs/dbraw/zinc/94/61/69/648946169.db2.gz MIZFGLBKTOHXGB-UHFFFAOYSA-N 0 0 273.254 2.583 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)[C@H]1CCCCO1 ZINC000928710679 648946704 /nfs/dbraw/zinc/94/67/04/648946704.db2.gz VQPZVTSELZIZCS-CQSZACIVSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1(C(F)F)CCC1 ZINC000928710656 648946796 /nfs/dbraw/zinc/94/67/96/648946796.db2.gz VLOZVUKLIFBYJB-UHFFFAOYSA-N 0 0 273.254 2.583 20 10 CFCDRN CCN(Cc1nn(C)cc1C)c1ccc(OC)cc1 ZINC000929905476 649147088 /nfs/dbraw/zinc/14/70/88/649147088.db2.gz WVMUTQSFXCJHQB-UHFFFAOYSA-N 0 0 259.353 2.764 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCOC1CC1)CCC2 ZINC000930721821 649314557 /nfs/dbraw/zinc/31/45/57/649314557.db2.gz JXIXVHPHZLYDHF-UHFFFAOYSA-N 0 0 277.364 2.635 20 10 CFCDRN Cn1ncc(NC(=O)N2Cc3cccc(O)c3C2)c1C1CC1 ZINC000930884127 649343621 /nfs/dbraw/zinc/34/36/21/649343621.db2.gz AQCGRWPLMPCTHU-UHFFFAOYSA-N 0 0 298.346 2.551 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C\c1cn(C)cn1)CC2 ZINC000931153705 649388733 /nfs/dbraw/zinc/38/87/33/649388733.db2.gz KOMDPBDCRGDVPQ-FPLPWBNLSA-N 0 0 281.359 2.585 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2ccnn2C2CC2)cc1 ZINC000934511476 649796103 /nfs/dbraw/zinc/79/61/03/649796103.db2.gz OSDRKDDOWJRWGQ-UHFFFAOYSA-N 0 0 299.378 2.606 20 10 CFCDRN COc1ccc(CC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000934705145 649818099 /nfs/dbraw/zinc/81/80/99/649818099.db2.gz RQUUNDYHNMSDQY-UHFFFAOYSA-N 0 0 299.370 2.910 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000098121028 651070122 /nfs/dbraw/zinc/07/01/22/651070122.db2.gz KLOYTMWOXSRUSU-OLZOCXBDSA-N 0 0 277.412 2.986 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(CO)cc1 ZINC000305847335 651085670 /nfs/dbraw/zinc/08/56/70/651085670.db2.gz SZHGTURZADGRKC-UHFFFAOYSA-N 0 0 269.344 2.750 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CCO)c2)cc1 ZINC000305862892 651085822 /nfs/dbraw/zinc/08/58/22/651085822.db2.gz XUDFRNOXRFKNFV-CYBMUJFWSA-N 0 0 288.395 2.505 20 10 CFCDRN C[C@H]([NH2+]CCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273455142 651240928 /nfs/dbraw/zinc/24/09/28/651240928.db2.gz GVAHJWQZGSDLDF-VIFPVBQESA-N 0 0 250.298 2.751 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000273489283 651241171 /nfs/dbraw/zinc/24/11/71/651241171.db2.gz NVVCZFHQCWIWSA-SNVBAGLBSA-N 0 0 263.337 2.630 20 10 CFCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281275 651257834 /nfs/dbraw/zinc/25/78/34/651257834.db2.gz NPBKTSAJTWZYPE-AWEZNQCLSA-N 0 0 292.423 2.882 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cccnc3N)cc2n1C ZINC001243475374 782224054 /nfs/dbraw/zinc/22/40/54/782224054.db2.gz GEKSVGAOOVMORP-UHFFFAOYSA-N 0 0 281.315 2.609 20 10 CFCDRN COc1cc(O)c(CN(C)CCF)cc1Br ZINC001233142310 777805755 /nfs/dbraw/zinc/80/57/55/777805755.db2.gz NOZPVMYWZJYOHJ-UHFFFAOYSA-N 0 0 292.148 2.565 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@H]1O ZINC001237809019 779718902 /nfs/dbraw/zinc/71/89/02/779718902.db2.gz YNPCWTFKIXWGBK-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[NH+](C2CCC2)CC1 ZINC001237807860 779719036 /nfs/dbraw/zinc/71/90/36/779719036.db2.gz NJDDVTGATPGWRD-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000402095662 769843471 /nfs/dbraw/zinc/84/34/71/769843471.db2.gz WRDSFHGICAXCPJ-XCBNKYQSSA-N 0 0 276.163 2.966 20 10 CFCDRN Oc1cc2c(cc1O)CN(Cc1ncccc1F)CCC2 ZINC001207036262 770320679 /nfs/dbraw/zinc/32/06/79/770320679.db2.gz VASXJBGFLHGMJN-UHFFFAOYSA-N 0 0 288.322 2.580 20 10 CFCDRN CC(=O)c1cccc(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000588403633 770532149 /nfs/dbraw/zinc/53/21/49/770532149.db2.gz SOIFHTDFCDOYHA-VURMDHGXSA-N 0 0 297.310 2.952 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CCCC1 ZINC000588405362 770535061 /nfs/dbraw/zinc/53/50/61/770535061.db2.gz HCUGWUDMVYHZRI-VURMDHGXSA-N 0 0 275.348 2.808 20 10 CFCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1 ZINC000588407971 770549262 /nfs/dbraw/zinc/54/92/62/770549262.db2.gz JCYKBXBXZJXYIP-DVBBHNHCSA-N 0 0 275.348 2.806 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C\c1cccc(O)c1 ZINC000588417761 770594971 /nfs/dbraw/zinc/59/49/71/770594971.db2.gz RGUGJHIPSPTGCH-KTKRTIGZSA-N 0 0 283.327 2.770 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(F)ccc1O ZINC000690725614 770779356 /nfs/dbraw/zinc/77/93/56/770779356.db2.gz GQCASPPLRUIJEI-PRHODGIISA-N 0 0 275.270 2.606 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000690726495 770780400 /nfs/dbraw/zinc/78/04/00/770780400.db2.gz KNBAXTCBQSJGFD-PELKAZGASA-N 0 0 275.270 2.606 20 10 CFCDRN CC1(c2ccccc2)CN(C(=O)c2cccc(O)c2O)C1 ZINC001167576809 770925353 /nfs/dbraw/zinc/92/53/53/770925353.db2.gz LPDCZULYKOCVLP-UHFFFAOYSA-N 0 0 283.327 2.512 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CCC[C@H]1c1cnccn1 ZINC001140583555 770964500 /nfs/dbraw/zinc/96/45/00/770964500.db2.gz LHLFLJRDNATJPI-AWEZNQCLSA-N 0 0 291.301 2.798 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)[C@H](C)C1 ZINC001140584648 770970281 /nfs/dbraw/zinc/97/02/81/770970281.db2.gz ACIHOIZFMAYEFY-MWLCHTKSSA-N 0 0 271.307 2.670 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2ccc[nH]2)cc1 ZINC000588546835 770981433 /nfs/dbraw/zinc/98/14/33/770981433.db2.gz SQXMXCVMHZJBRV-FLIBITNWSA-N 0 0 283.375 2.753 20 10 CFCDRN O=S(=O)(C1CC1)N(Cc1ccccc1O)C1CCCC1 ZINC000161753892 775124060 /nfs/dbraw/zinc/12/40/60/775124060.db2.gz NBPGDDPJJYRUFK-UHFFFAOYSA-N 0 0 295.404 2.629 20 10 CFCDRN Nc1ccc(NC(=O)NCCC2SCCS2)cc1 ZINC000693852201 775203183 /nfs/dbraw/zinc/20/31/83/775203183.db2.gz WHXYBFJEHWYTOX-UHFFFAOYSA-N 0 0 283.422 2.587 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cc(Cl)cs1 ZINC000588600782 775266391 /nfs/dbraw/zinc/26/63/91/775266391.db2.gz BKPZOFSBGWDTHQ-QHHAFSJGSA-N 0 0 261.780 2.890 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725119537 775278413 /nfs/dbraw/zinc/27/84/13/775278413.db2.gz KIRKNKCFBAXPTC-CQSZACIVSA-N 0 0 267.344 2.562 20 10 CFCDRN CC(C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000694434565 775484172 /nfs/dbraw/zinc/48/41/72/775484172.db2.gz OQXLHNJEWWZNFR-NSHDSACASA-N 0 0 263.337 2.606 20 10 CFCDRN CN(C)c1ccc(CN2CCOCC23CC3)c(Cl)c1 ZINC001140926553 775655794 /nfs/dbraw/zinc/65/57/94/775655794.db2.gz NRKBQDZQXRWXAO-UHFFFAOYSA-N 0 0 280.799 2.771 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000293493938 775664234 /nfs/dbraw/zinc/66/42/34/775664234.db2.gz AUIOIKUWHZKSCB-DYLAAIIWSA-N 0 0 271.719 2.594 20 10 CFCDRN Oc1ccc(O)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001141156379 775963026 /nfs/dbraw/zinc/96/30/26/775963026.db2.gz VNRVQMAYFVCWST-LBPRGKRZSA-N 0 0 275.270 2.667 20 10 CFCDRN Oc1ccc(O)c(CN2CCCCC(F)(F)C2)c1 ZINC001141155960 775963136 /nfs/dbraw/zinc/96/31/36/775963136.db2.gz BZVUUCMYHWTZKE-UHFFFAOYSA-N 0 0 257.280 2.719 20 10 CFCDRN CN(C)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 ZINC001227939580 776334840 /nfs/dbraw/zinc/33/48/40/776334840.db2.gz BMNHUVAQZXHJJO-HNNXBMFYSA-N 0 0 285.343 2.971 20 10 CFCDRN CO[C@H](C)COc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228073679 776385252 /nfs/dbraw/zinc/38/52/52/776385252.db2.gz LXWGKFGHQQOTOW-LLVKDONJSA-N 0 0 296.322 2.876 20 10 CFCDRN CCC[C@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228202182 776421410 /nfs/dbraw/zinc/42/14/10/776421410.db2.gz SAYDJSSTKSAMSI-AWEZNQCLSA-N 0 0 290.407 2.923 20 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252.314 2.954 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(O)c1 ZINC001231446462 777220377 /nfs/dbraw/zinc/22/03/77/777220377.db2.gz JHKNTZXXLGAWBS-HNNXBMFYSA-N 0 0 298.342 2.823 20 10 CFCDRN C[C@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446163 777220703 /nfs/dbraw/zinc/22/07/03/777220703.db2.gz FENYSKCNZDXATC-HNNXBMFYSA-N 0 0 281.327 2.805 20 10 CFCDRN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447307 777221010 /nfs/dbraw/zinc/22/10/10/777221010.db2.gz RNUUSXNFDFNDQM-VIFPVBQESA-N 0 0 285.290 2.568 20 10 CFCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453185 777223578 /nfs/dbraw/zinc/22/35/78/777223578.db2.gz DFJCJQHBONRRHB-CYBMUJFWSA-N 0 0 263.337 2.711 20 10 CFCDRN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)Cc1ccccc1F ZINC001231564809 777261206 /nfs/dbraw/zinc/26/12/06/777261206.db2.gz ZBDYAMZIXUOHRP-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN CCC(CC)[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566311 777261245 /nfs/dbraw/zinc/26/12/45/777261245.db2.gz XDGAOYBOYCHMFY-UHFFFAOYSA-N 0 0 251.326 2.711 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC001231565523 777261316 /nfs/dbraw/zinc/26/13/16/777261316.db2.gz ZPXKRGBRIYUDLR-UHFFFAOYSA-N 0 0 275.348 2.857 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001231563012 777261334 /nfs/dbraw/zinc/26/13/34/777261334.db2.gz DBFSCYVQMYZOAA-OAHLLOKOSA-N 0 0 298.342 2.823 20 10 CFCDRN CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CC1 ZINC001231563313 777261955 /nfs/dbraw/zinc/26/19/55/777261955.db2.gz HLPOTZKUVDBYBX-UHFFFAOYSA-N 0 0 263.337 2.711 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)nn1 ZINC001126428665 777261890 /nfs/dbraw/zinc/26/18/90/777261890.db2.gz KXPYBXZZYLVTSO-VMPITWQZSA-N 0 0 288.738 2.510 20 10 CFCDRN Oc1ccc2ccccc2c1CN1Cc2cncnc2C1 ZINC001231587463 777268529 /nfs/dbraw/zinc/26/85/29/777268529.db2.gz CWILIQORGBVXKC-UHFFFAOYSA-N 0 0 277.327 2.851 20 10 CFCDRN Cc1cccc(CN2CCc3nc(Cl)ncc3C2)c1O ZINC001231593446 777273157 /nfs/dbraw/zinc/27/31/57/777273157.db2.gz YVUWPKJXLWMGRR-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN COc1cc(CN2CC[C@@H](C)C(F)(F)C2)c(O)cc1O ZINC001231634698 777285573 /nfs/dbraw/zinc/28/55/73/777285573.db2.gz RCYBMXPSNASBHU-SECBINFHSA-N 0 0 287.306 2.584 20 10 CFCDRN COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(O)cc1O ZINC001231633996 777286687 /nfs/dbraw/zinc/28/66/87/777286687.db2.gz FSCNJNYINGAQRL-SECBINFHSA-N 0 0 287.306 2.584 20 10 CFCDRN COc1cc(C[N@H+](C)Cc2cccs2)c(O)cc1O ZINC001231636486 777287137 /nfs/dbraw/zinc/28/71/37/777287137.db2.gz WRGMFHXFYWOGQT-UHFFFAOYSA-N 0 0 279.361 2.800 20 10 CFCDRN COc1cc(C[N@@H+]2CCc3ccsc3C2)c(O)cc1O ZINC001231635267 777287501 /nfs/dbraw/zinc/28/75/01/777287501.db2.gz DQHBTDPIHPABGC-UHFFFAOYSA-N 0 0 291.372 2.726 20 10 CFCDRN COc1cc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(O)cc1O ZINC001231635394 777287863 /nfs/dbraw/zinc/28/78/63/777287863.db2.gz XWUSGYIZVAQTHJ-OAHLLOKOSA-N 0 0 283.343 2.821 20 10 CFCDRN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231847604 777349393 /nfs/dbraw/zinc/34/93/93/777349393.db2.gz BRRWKSRGVVPQIO-DVOMOZLQSA-N 0 0 289.375 2.535 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1C[C@H](F)C[C@H]1C ZINC001231849079 777350974 /nfs/dbraw/zinc/35/09/74/777350974.db2.gz NLQBGSBTHPKADP-DGCLKSJQSA-N 0 0 266.360 2.694 20 10 CFCDRN COc1cc(N(C)C)ccc1C[NH+]1CCC(CF)CC1 ZINC001231853655 777351764 /nfs/dbraw/zinc/35/17/64/777351764.db2.gz NOEUZGVQTQAPKH-UHFFFAOYSA-N 0 0 280.387 2.943 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)C[C@H]2C)cc1Cl ZINC001231867465 777357015 /nfs/dbraw/zinc/35/70/15/777357015.db2.gz KUUZHXQTYKFMGV-SNVBAGLBSA-N 0 0 267.756 2.907 20 10 CFCDRN CCN(Cc1cc(Cl)c(C)cc1O)[C@@H](C)C(=O)OC ZINC001231871269 777359071 /nfs/dbraw/zinc/35/90/71/777359071.db2.gz IIYPDHJXJJBHFP-JTQLQIEISA-N 0 0 285.771 2.737 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Cl ZINC001231869435 777359881 /nfs/dbraw/zinc/35/98/81/777359881.db2.gz QOIXJGPBTPJYGW-ZYHUDNBSSA-N 0 0 287.762 2.506 20 10 CFCDRN O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3[O-])CC2)O1 ZINC001231911632 777380843 /nfs/dbraw/zinc/38/08/43/777380843.db2.gz JJAGPTRZXXJVBZ-UHFFFAOYSA-N 0 0 295.766 2.717 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@]1(C)O ZINC001231910354 777381123 /nfs/dbraw/zinc/38/11/23/777381123.db2.gz MIEFUGIMAOXSSL-QMTHXVAHSA-N 0 0 269.772 2.638 20 10 CFCDRN CN(CCF)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232200786 777467211 /nfs/dbraw/zinc/46/72/11/777467211.db2.gz AFXSVXHPTXDJIS-UHFFFAOYSA-N 0 0 286.778 2.578 20 10 CFCDRN CN(C)C(=O)c1cc(Nc2ccc(N)cc2)ccc1F ZINC001211858148 777519327 /nfs/dbraw/zinc/51/93/27/777519327.db2.gz MQHNAFCWKYHKNF-UHFFFAOYSA-N 0 0 273.311 2.853 20 10 CFCDRN Oc1cc(O)c(CCNc2ccc3[nH]ccc3c2)cc1O ZINC001168010088 777600936 /nfs/dbraw/zinc/60/09/36/777600936.db2.gz QMPFJZBCSNJJJA-UHFFFAOYSA-N 0 0 284.315 2.939 20 10 CFCDRN CNc1cccc(NCCc2cc(O)c(O)cc2O)c1C ZINC001168015455 777651086 /nfs/dbraw/zinc/65/10/86/777651086.db2.gz CRMMCIKYYHEGEB-UHFFFAOYSA-N 0 0 288.347 2.808 20 10 CFCDRN C[C@]1(F)CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010715 777763328 /nfs/dbraw/zinc/76/33/28/777763328.db2.gz UCXGZUGXMUEFHO-AWEZNQCLSA-N 0 0 269.316 2.518 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCc3cc(O)ccc3C2)ccc(F)c1F ZINC001233076874 777789724 /nfs/dbraw/zinc/78/97/24/777789724.db2.gz WOBFNSIOEDQRHY-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN COc1cc(Cl)cc(CN2Cc3cccnc3C2)c1O ZINC001233287200 777866464 /nfs/dbraw/zinc/86/64/64/777866464.db2.gz AZSOTBHKOQJEAS-UHFFFAOYSA-N 0 0 290.750 2.965 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001233289937 777869431 /nfs/dbraw/zinc/86/94/31/777869431.db2.gz YLFOTOZEVLLART-KPXOXKRLSA-N 0 0 285.746 2.987 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001233332024 777890297 /nfs/dbraw/zinc/89/02/97/777890297.db2.gz VAFBMUNPHUDKFL-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CCc2ncsc2C1 ZINC001233335219 777892177 /nfs/dbraw/zinc/89/21/77/777892177.db2.gz MKVXJWXTTSEKBT-UHFFFAOYSA-N 0 0 282.315 2.685 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CC(c2cccnc2)C1 ZINC001233335026 777893395 /nfs/dbraw/zinc/89/33/95/777893395.db2.gz DVZZMDPXOWOYGP-UHFFFAOYSA-N 0 0 276.286 2.665 20 10 CFCDRN C[N@H+](CCc1ccncc1)Cc1c([O-])ccc(F)c1F ZINC001233334597 777893440 /nfs/dbraw/zinc/89/34/40/777893440.db2.gz MYSXBVMKYKJTNA-UHFFFAOYSA-N 0 0 278.302 2.740 20 10 CFCDRN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001233335182 777893799 /nfs/dbraw/zinc/89/37/99/777893799.db2.gz KLPQXKZILHLUMN-AOOOYVTPSA-N 0 0 281.302 2.756 20 10 CFCDRN CC(=O)[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419129 777944209 /nfs/dbraw/zinc/94/42/09/777944209.db2.gz KNSSYSFSYDSESH-JTQLQIEISA-N 0 0 287.281 2.822 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001233452050 777956932 /nfs/dbraw/zinc/95/69/32/777956932.db2.gz IRZJMZZQXLFGFI-AOOOYVTPSA-N 0 0 281.224 2.903 20 10 CFCDRN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486385 777963493 /nfs/dbraw/zinc/96/34/93/777963493.db2.gz LIRJDSCWUZRSJL-NSHDSACASA-N 0 0 285.343 2.750 20 10 CFCDRN COC(=O)[C@H]1CC[C@@H](Oc2ccc(N(C)C)cc2)CC1 ZINC001227938608 777964321 /nfs/dbraw/zinc/96/43/21/777964321.db2.gz AKBKUYSAXPAUMA-XBXGTLAGSA-N 0 0 277.364 2.863 20 10 CFCDRN CCN1CCc2cc(O[C@@H](C[N+](=O)[O-])C3CC3)ccc21 ZINC001233602111 778008046 /nfs/dbraw/zinc/00/80/46/778008046.db2.gz OIQRRJMHLABBBV-HNNXBMFYSA-N 0 0 276.336 2.503 20 10 CFCDRN CCN1CCc2cc(O[C@H]3CCn4ccnc43)ccc21 ZINC001233608575 778012256 /nfs/dbraw/zinc/01/22/56/778012256.db2.gz XBSQIRRPOQTQIL-HNNXBMFYSA-N 0 0 269.348 2.789 20 10 CFCDRN CN(Cc1cccc(OC(F)(F)F)c1O)C1(C)COC1 ZINC001233761121 778067373 /nfs/dbraw/zinc/06/73/73/778067373.db2.gz QBQAEOAQOFLQNO-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C1CCC1 ZINC001233949380 778120532 /nfs/dbraw/zinc/12/05/32/778120532.db2.gz FWKHZBBCNDPRJU-MRVPVSSYSA-N 0 0 260.293 2.608 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccncc1 ZINC001234474830 778233320 /nfs/dbraw/zinc/23/33/20/778233320.db2.gz XQFBCYZWRFUDGL-JTQLQIEISA-N 0 0 273.288 2.835 20 10 CFCDRN COC1=CC[C@H](Oc2cc(O)c(O)cc2C(C)=O)CC1 ZINC001234475351 778233522 /nfs/dbraw/zinc/23/35/22/778233522.db2.gz FYGAEZJQRDFCLV-NSHDSACASA-N 0 0 278.304 2.762 20 10 CFCDRN COC(C)(C)C[C@@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234476178 778234916 /nfs/dbraw/zinc/23/49/16/778234916.db2.gz LNOKZPFCNRIMBG-SECBINFHSA-N 0 0 282.336 2.883 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(F)cn1 ZINC001235014599 778354396 /nfs/dbraw/zinc/35/43/96/778354396.db2.gz WUGVQVZYHLMCNL-UHFFFAOYSA-N 0 0 288.370 2.704 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039713 778363809 /nfs/dbraw/zinc/36/38/09/778363809.db2.gz XOPRYHGFNJFGMA-NWDGAFQWSA-N 0 0 287.190 2.635 20 10 CFCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CC1(C)C ZINC001142506478 778394944 /nfs/dbraw/zinc/39/49/44/778394944.db2.gz RTQJTDTYJRKYPU-VXGBXAGGSA-N 0 0 277.364 2.581 20 10 CFCDRN C[C@@]1(F)CCN(Cc2cc(F)c(F)cc2O)C[C@H]1F ZINC001142509114 778395901 /nfs/dbraw/zinc/39/59/01/778395901.db2.gz XGTPDWGEADFLCZ-CHWSQXEVSA-N 0 0 277.261 2.942 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CC(Oc2ccccc2)C1 ZINC001142520313 778398833 /nfs/dbraw/zinc/39/88/33/778398833.db2.gz FVCNOVQCBXUGNI-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167087 778401678 /nfs/dbraw/zinc/40/16/78/778401678.db2.gz FITQRWHZQCFNHZ-INIZCTEOSA-N 0 0 296.361 2.779 20 10 CFCDRN Cc1noc([C@@H]2CCCN2Cc2cc(F)c(F)cc2O)n1 ZINC001142527279 778402441 /nfs/dbraw/zinc/40/24/41/778402441.db2.gz RCVBDCNKGYGFSO-LBPRGKRZSA-N 0 0 295.289 2.699 20 10 CFCDRN [O-]c1c(Br)cc(F)cc1C[NH+]1CCCC1 ZINC001235296489 778447805 /nfs/dbraw/zinc/44/78/05/778447805.db2.gz ILQHANMHPPDADQ-UHFFFAOYSA-N 0 0 274.133 2.890 20 10 CFCDRN CC(C)(C)c1ccc(CN2CC[C@H](O)C(F)(F)C2)c(O)c1 ZINC001235681009 778535943 /nfs/dbraw/zinc/53/59/43/778535943.db2.gz WPXQOXLSNHWSDX-AWEZNQCLSA-N 0 0 299.361 2.892 20 10 CFCDRN CC[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000160228731 778596073 /nfs/dbraw/zinc/59/60/73/778596073.db2.gz CZMLORMFNOSCPV-GFCCVEGCSA-N 0 0 282.815 2.962 20 10 CFCDRN CN1CCC[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000160248015 778597398 /nfs/dbraw/zinc/59/73/98/778597398.db2.gz LFMYBUPMQHCJGO-GFCCVEGCSA-N 0 0 268.788 2.572 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241382 778750288 /nfs/dbraw/zinc/75/02/88/778750288.db2.gz PAQDSMDLLIABRQ-CYBMUJFWSA-N 0 0 298.789 2.901 20 10 CFCDRN Nc1ccc(-c2cc(N3CCc4ccccc43)ncn2)cn1 ZINC001236311510 778772002 /nfs/dbraw/zinc/77/20/02/778772002.db2.gz UFVBYUNHSSMTOU-UHFFFAOYSA-N 0 0 289.342 2.815 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnn(Cc2ccccn2)c1 ZINC001236429001 778823677 /nfs/dbraw/zinc/82/36/77/778823677.db2.gz AFHCHPKRYCGGFU-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN O=C1CCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236797333 778940935 /nfs/dbraw/zinc/94/09/35/778940935.db2.gz XCBGAKCGSIAWMP-UHFFFAOYSA-N 0 0 274.147 2.864 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1Cl ZINC001236805858 778947328 /nfs/dbraw/zinc/94/73/28/778947328.db2.gz GFWWQCLSIIBHKS-RYUDHWBXSA-N 0 0 297.782 2.523 20 10 CFCDRN CCOc1ccc(CN2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001237043246 778996294 /nfs/dbraw/zinc/99/62/94/778996294.db2.gz MSYJTOWCEFHIFV-UHFFFAOYSA-N 0 0 277.364 2.592 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001237048456 778998473 /nfs/dbraw/zinc/99/84/73/778998473.db2.gz RXAWNWWNXYUBBX-ZDUSSCGKSA-N 0 0 263.381 2.720 20 10 CFCDRN CCOc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001237050107 779000189 /nfs/dbraw/zinc/00/01/89/779000189.db2.gz PGSCUFVFMLLHRM-LBPRGKRZSA-N 0 0 277.364 2.592 20 10 CFCDRN CC(C)c1ccc(CN2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC001237054997 779002577 /nfs/dbraw/zinc/00/25/77/779002577.db2.gz LFWBJCAIPSZPCK-UHFFFAOYSA-N 0 0 290.407 2.568 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCC12COC2 ZINC001237083037 779006766 /nfs/dbraw/zinc/00/67/66/779006766.db2.gz XBPVWIOWFHIQAY-UHFFFAOYSA-N 0 0 274.147 2.674 20 10 CFCDRN CCOC(=O)CN(C)Cc1c(O)ccc(Cl)c1Cl ZINC001237079981 779007041 /nfs/dbraw/zinc/00/70/41/779007041.db2.gz QFQNVZXHPZKIGS-UHFFFAOYSA-N 0 0 292.162 2.694 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1O ZINC001237078695 779007807 /nfs/dbraw/zinc/00/78/07/779007807.db2.gz WJZKXPWEZVZZHA-PRHODGIISA-N 0 0 290.190 2.902 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1CC[C@H](F)C1 ZINC001237115055 779015249 /nfs/dbraw/zinc/01/52/49/779015249.db2.gz DZDHPRICKYYYOY-QMMMGPOBSA-N 0 0 279.233 2.835 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237124707 779020541 /nfs/dbraw/zinc/02/05/41/779020541.db2.gz RPKSHJGGERLWON-DKCNOQQISA-N 0 0 273.710 2.975 20 10 CFCDRN CO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@@H]1F ZINC001233416007 779040444 /nfs/dbraw/zinc/04/04/44/779040444.db2.gz SEMRNFHELNWGIK-WDEREUQCSA-N 0 0 293.260 2.580 20 10 CFCDRN CO[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@@H]1F ZINC001233416006 779041497 /nfs/dbraw/zinc/04/14/97/779041497.db2.gz SEMRNFHELNWGIK-QWRGUYRKSA-N 0 0 293.260 2.580 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698929143 779102555 /nfs/dbraw/zinc/10/25/55/779102555.db2.gz PAFYMRWDOPWBNC-OTYXRUKQSA-N 0 0 289.297 2.776 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000698953925 779110549 /nfs/dbraw/zinc/11/05/49/779110549.db2.gz RIPMSROUGNKXNJ-NSHDSACASA-N 0 0 295.688 2.809 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C(C)=C\c1cccnc1 ZINC001127256449 779131594 /nfs/dbraw/zinc/13/15/94/779131594.db2.gz YWUXCZSVWKNYLR-BENRWUELSA-N 0 0 283.331 2.552 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237616912 779144570 /nfs/dbraw/zinc/14/45/70/779144570.db2.gz JQDVTFZZQZJBQG-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001237617529 779144813 /nfs/dbraw/zinc/14/48/13/779144813.db2.gz SEGJPTXBCJFNMJ-NSHDSACASA-N 0 0 273.735 2.532 20 10 CFCDRN C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624112 779147617 /nfs/dbraw/zinc/14/76/17/779147617.db2.gz YRBATHNQVOCXTA-ZDUSSCGKSA-N 0 0 298.789 2.853 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H](F)C[C@H](CO)C2)c1O ZINC001237681049 779160127 /nfs/dbraw/zinc/16/01/27/779160127.db2.gz KOMRUVIPQXFAMG-GXFFZTMASA-N 0 0 287.762 2.506 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCc3ncncc3C2)c1O ZINC001237687655 779160932 /nfs/dbraw/zinc/16/09/32/779160932.db2.gz QFDGGKJJLAFLEA-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H]2CO3)c1O ZINC001237688108 779161358 /nfs/dbraw/zinc/16/13/58/779161358.db2.gz FCVGWPVKCPZBSG-CHWSQXEVSA-N 0 0 267.756 2.717 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCn3nccc3C2)c1O ZINC001237690478 779162702 /nfs/dbraw/zinc/16/27/02/779162702.db2.gz YANFKKFLRRUEBP-UHFFFAOYSA-N 0 0 277.755 2.566 20 10 CFCDRN CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798222 779179808 /nfs/dbraw/zinc/17/98/08/779179808.db2.gz BDSGELXAOYRATE-JTQLQIEISA-N 0 0 285.746 2.986 20 10 CFCDRN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798223 779180252 /nfs/dbraw/zinc/18/02/52/779180252.db2.gz BDSGELXAOYRATE-SNVBAGLBSA-N 0 0 285.746 2.986 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCOCC1 ZINC001237800748 779181410 /nfs/dbraw/zinc/18/14/10/779181410.db2.gz AWUZMBOIYALINQ-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001237800383 779181615 /nfs/dbraw/zinc/18/16/15/779181615.db2.gz YGPFYGHWMJELPE-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN C[N@H+](Cc1ccncn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237803908 779182937 /nfs/dbraw/zinc/18/29/37/779182937.db2.gz VVWQQKVNFRMNED-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN COC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237804769 779183307 /nfs/dbraw/zinc/18/33/07/779183307.db2.gz GEQKEQLPIKRYST-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808667 779184722 /nfs/dbraw/zinc/18/47/22/779184722.db2.gz VSWKOCLJBUSXDN-KCJUWKMLSA-N 0 0 273.735 2.530 20 10 CFCDRN CC(C)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031730613 779202235 /nfs/dbraw/zinc/20/22/35/779202235.db2.gz MXQQUAVHSUEDPW-UHFFFAOYSA-N 0 0 277.412 2.988 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCSCC1 ZINC001237934193 779210312 /nfs/dbraw/zinc/21/03/12/779210312.db2.gz ISTJMPNAQWPCLM-UHFFFAOYSA-N 0 0 261.749 2.734 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC2(CSC2)C1 ZINC001237941315 779210629 /nfs/dbraw/zinc/21/06/29/779210629.db2.gz VACPMJUCINEYNO-UHFFFAOYSA-N 0 0 273.760 2.734 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CCC2(COC2)CC1 ZINC001237946882 779214976 /nfs/dbraw/zinc/21/49/76/779214976.db2.gz NOCFCLHTPMANCP-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN CC[N@H+](CCOC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946355 779215045 /nfs/dbraw/zinc/21/50/45/779215045.db2.gz JTEQSYSHDHRDQA-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN Cc1cc(F)cc(CN(C)Cc2cscn2)c1O ZINC001238070726 779246789 /nfs/dbraw/zinc/24/67/89/779246789.db2.gz OLOCUVVXUSRHLC-UHFFFAOYSA-N 0 0 266.341 2.928 20 10 CFCDRN CNc1ccc(-c2nc(C)nc3c2ccn3C)c(F)n1 ZINC001239408981 779553623 /nfs/dbraw/zinc/55/36/23/779553623.db2.gz MQJXIZHYTZIBSM-UHFFFAOYSA-N 0 0 271.299 2.520 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC001236794159 779638903 /nfs/dbraw/zinc/63/89/03/779638903.db2.gz QGBILEZTPCQUBJ-VIFPVBQESA-N 0 0 276.163 2.656 20 10 CFCDRN CN(CC[NH+](C)C)Cc1cc(Cl)c(Cl)cc1O ZINC001236792581 779639035 /nfs/dbraw/zinc/63/90/35/779639035.db2.gz FJOZFMUTFMTGRT-UHFFFAOYSA-N 0 0 277.195 2.692 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(COC2)C1 ZINC001236794534 779639077 /nfs/dbraw/zinc/63/90/77/779639077.db2.gz SKTKAGZRIKTBCI-UHFFFAOYSA-N 0 0 274.147 2.531 20 10 CFCDRN C[C@H]1COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236793287 779639201 /nfs/dbraw/zinc/63/92/01/779639201.db2.gz JVLAWFPHAXEMDP-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN COc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001239727450 779731563 /nfs/dbraw/zinc/73/15/63/779731563.db2.gz DQRYCYGQRSPTKZ-UHFFFAOYSA-N 0 0 292.338 2.967 20 10 CFCDRN CCCn1cc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001240128930 779953961 /nfs/dbraw/zinc/95/39/61/779953961.db2.gz DTRZQHZNNFTTCH-UHFFFAOYSA-N 0 0 255.325 2.550 20 10 CFCDRN Cc1ccc(-c2noc(-c3csnn3)n2)cc1F ZINC001212362109 779993435 /nfs/dbraw/zinc/99/34/35/779993435.db2.gz NFMCZSNFICHKPU-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN Cc1cccc(-c2noc(-c3csnn3)n2)c1C ZINC001212362104 779994142 /nfs/dbraw/zinc/99/41/42/779994142.db2.gz MZPCAIUOVWJGFU-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN COc1cc(-c2cccc3c2ccn3C)c(OC)nn1 ZINC001240326724 780082871 /nfs/dbraw/zinc/08/28/71/780082871.db2.gz PTMULQLMSVVSGZ-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN COc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001239727490 780117506 /nfs/dbraw/zinc/11/75/06/780117506.db2.gz GMXHEEOOLZCBON-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN CCOc1ncccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001240497872 780205858 /nfs/dbraw/zinc/20/58/58/780205858.db2.gz YNBBMYUMLOTVLP-UHFFFAOYSA-N 0 0 298.264 2.871 20 10 CFCDRN COC(=O)c1cnc(-c2ccc3ccn(C)c3c2)c(C)n1 ZINC001240570635 780263831 /nfs/dbraw/zinc/26/38/31/780263831.db2.gz ATEIUYRXKGGZIO-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cn1ccc2ccc(-c3cn(CC4CC4)c(=O)cn3)cc21 ZINC001240575762 780267755 /nfs/dbraw/zinc/26/77/55/780267755.db2.gz BBDXIBQUROGFLD-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000383661506 780306249 /nfs/dbraw/zinc/30/62/49/780306249.db2.gz LTPMDBFLPNQNOW-GFCCVEGCSA-N 0 0 255.745 2.704 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2nc(C)nc3c2ccn3C)cn1 ZINC001240748905 780412255 /nfs/dbraw/zinc/41/22/55/780412255.db2.gz BWBJCQMTUKNMKP-NSHDSACASA-N 0 0 285.351 2.695 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2cnc3ccn(C)c3c2)cn1 ZINC001240756795 780420550 /nfs/dbraw/zinc/42/05/50/780420550.db2.gz BCCZVOFHDFZVDP-NSHDSACASA-N 0 0 270.336 2.992 20 10 CFCDRN Cn1ccc2ccc(-c3cnn(C4COC4)c3)cc21 ZINC001240785351 780441072 /nfs/dbraw/zinc/44/10/72/780441072.db2.gz ZKWQZZFPLQETPJ-UHFFFAOYSA-N 0 0 253.305 2.613 20 10 CFCDRN Cn1ccc2cc(-c3ncnc4c3ccn4C)cnc21 ZINC001240821871 780464036 /nfs/dbraw/zinc/46/40/36/780464036.db2.gz LOQXRUGAKDRYPY-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN COc1cccc2cc(-c3ccn(C)c(=O)c3)cnc21 ZINC001240989125 780576360 /nfs/dbraw/zinc/57/63/60/780576360.db2.gz PBWOJMFRQVCTGW-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN Cn1ccc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1=O ZINC001240989302 780576413 /nfs/dbraw/zinc/57/64/13/780576413.db2.gz YJFMNQIVCJCDLY-UHFFFAOYSA-N 0 0 293.248 2.947 20 10 CFCDRN CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nccs1 ZINC000133243840 780631462 /nfs/dbraw/zinc/63/14/62/780631462.db2.gz FOBLSIPWQDLJEK-RKDXNWHRSA-N 0 0 258.412 2.929 20 10 CFCDRN CN(C)c1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241338229 780792668 /nfs/dbraw/zinc/79/26/68/780792668.db2.gz LCSXTOJAVPQWGF-UHFFFAOYSA-N 0 0 280.375 2.836 20 10 CFCDRN CCOCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703229650 780999128 /nfs/dbraw/zinc/99/91/28/780999128.db2.gz LMRKGRJAPHBTMZ-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN CSCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703260908 781001635 /nfs/dbraw/zinc/00/16/35/781001635.db2.gz MIUQZEBLTCCSIQ-UHFFFAOYSA-N 0 0 261.337 2.903 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000703258332 781005622 /nfs/dbraw/zinc/00/56/22/781005622.db2.gz WFLDDKVMQANUGJ-ZDUSSCGKSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000703307432 781007935 /nfs/dbraw/zinc/00/79/35/781007935.db2.gz INSRIJRUMMZQBX-ONGXEEELSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]CCC1SCCS1 ZINC000703340000 781008272 /nfs/dbraw/zinc/00/82/72/781008272.db2.gz HGWDBOLHIHNZRZ-UHFFFAOYSA-N 0 0 273.398 2.817 20 10 CFCDRN [O-]c1c(C[NH2+]CCOCC2CCCC2)ccc(F)c1F ZINC000703394643 781013636 /nfs/dbraw/zinc/01/36/36/781013636.db2.gz LFZFZPMGMCFAMO-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CCOC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703502451 781016940 /nfs/dbraw/zinc/01/69/40/781016940.db2.gz NRCJMPFMDBBJHB-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cccc2c[nH]nc21 ZINC001241620647 781023568 /nfs/dbraw/zinc/02/35/68/781023568.db2.gz PDTHJNCGSAAVBQ-UHFFFAOYSA-N 0 0 293.330 2.621 20 10 CFCDRN Cc1ncccc1/C=C\C(=O)N(C)c1ccc(F)cn1 ZINC001129018235 781078481 /nfs/dbraw/zinc/07/84/81/781078481.db2.gz NWKGUAMAYMSOPY-YVMONPNESA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1nc([C@@H]2CCCCN2Cc2c(O)cccc2F)no1 ZINC001137837479 781139813 /nfs/dbraw/zinc/13/98/13/781139813.db2.gz INEXSHINOFFOJB-ZDUSSCGKSA-N 0 0 291.326 2.950 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001137837895 781141094 /nfs/dbraw/zinc/14/10/94/781141094.db2.gz YHWNPJXEKBJTED-CYBMUJFWSA-N 0 0 272.323 2.916 20 10 CFCDRN Cn1ccc2c1cccc2-c1cncc2nnoc21 ZINC001241823749 781144533 /nfs/dbraw/zinc/14/45/33/781144533.db2.gz URJSJPFHCWIWCS-UHFFFAOYSA-N 0 0 250.261 2.777 20 10 CFCDRN Cc1nc(C(N)=O)ccc1-c1cccc2c1ccn2C ZINC001241824519 781145537 /nfs/dbraw/zinc/14/55/37/781145537.db2.gz POJOCOGKEAZAAM-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN COCCn1cc(-c2cccc3c2ccn3C)ccc1=O ZINC001241823673 781145823 /nfs/dbraw/zinc/14/58/23/781145823.db2.gz BFLIDHUNCAHGAL-UHFFFAOYSA-N 0 0 282.343 2.653 20 10 CFCDRN CN(C)C1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000706103245 781158637 /nfs/dbraw/zinc/15/86/37/781158637.db2.gz SCOMHYZEYFCLHN-UHFFFAOYSA-N 0 0 289.206 2.881 20 10 CFCDRN Cc1cc2c(cn1)CN(Cc1c(O)cccc1F)C2 ZINC001137838544 781158757 /nfs/dbraw/zinc/15/87/57/781158757.db2.gz CMLQUKBDLFXNEL-UHFFFAOYSA-N 0 0 258.296 2.751 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCCC23CC3)cc1 ZINC000706297757 781170796 /nfs/dbraw/zinc/17/07/96/781170796.db2.gz LXPDLTMOFNJBFK-NSHDSACASA-N 0 0 259.353 2.971 20 10 CFCDRN CC[C@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708392010 781272028 /nfs/dbraw/zinc/27/20/28/781272028.db2.gz YYTJHGFRJKAUTB-CYBMUJFWSA-N 0 0 259.296 2.575 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCOC1 ZINC000708414807 781273301 /nfs/dbraw/zinc/27/33/01/781273301.db2.gz SRTQOMPGPJHQAB-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000708414361 781273820 /nfs/dbraw/zinc/27/38/20/781273820.db2.gz RIOFNFPNZGTFPV-JOYOIKCWSA-N 0 0 271.307 2.670 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000708412122 781274065 /nfs/dbraw/zinc/27/40/65/781274065.db2.gz GDZKTPAHBHRFMV-NSHDSACASA-N 0 0 293.260 2.526 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000708455594 781274484 /nfs/dbraw/zinc/27/44/84/781274484.db2.gz WSLXVHIODJZWBK-SECBINFHSA-N 0 0 263.234 2.948 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccns1 ZINC000708432818 781275377 /nfs/dbraw/zinc/27/53/77/781275377.db2.gz DAWZDYYPKVFYDY-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708466131 781276466 /nfs/dbraw/zinc/27/64/66/781276466.db2.gz NLRUWHJQYRPWJW-HQJQHLMTSA-N 0 0 259.321 2.512 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOCC1CC1 ZINC000708503194 781290748 /nfs/dbraw/zinc/29/07/48/781290748.db2.gz ORLVSYCTIDYKNZ-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCSC1 ZINC000708494558 781291058 /nfs/dbraw/zinc/29/10/58/781291058.db2.gz LUMNYAJFLXZLJZ-JTQLQIEISA-N 0 0 259.321 2.656 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708503070 781291068 /nfs/dbraw/zinc/29/10/68/781291068.db2.gz NNIFRJZKSUOXRU-LLVKDONJSA-N 0 0 271.307 2.718 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708536300 781293066 /nfs/dbraw/zinc/29/30/66/781293066.db2.gz YYYVLSCOTADIRB-JTQLQIEISA-N 0 0 273.323 2.559 20 10 CFCDRN CN(C)c1ccccc1-c1ncnc2c1ccn2C ZINC001242172809 781311785 /nfs/dbraw/zinc/31/17/85/781311785.db2.gz YXVOPDPFVPXXGN-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CCn1ccc(-c2cnccc2C(F)(F)F)cc1=O ZINC001242278134 781360803 /nfs/dbraw/zinc/36/08/03/781360803.db2.gz DCLKQNFHELQJLC-UHFFFAOYSA-N 0 0 268.238 2.949 20 10 CFCDRN CC1(C)CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])OC1 ZINC000711276523 781405809 /nfs/dbraw/zinc/40/58/09/781405809.db2.gz AITBKISHUPAIRG-GFCCVEGCSA-N 0 0 285.334 2.965 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711831631 781474932 /nfs/dbraw/zinc/47/49/32/781474932.db2.gz HEJMRYWVOXTGFU-UKRRQHHQSA-N 0 0 279.355 2.826 20 10 CFCDRN CC(C)n1cc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001242437319 781503460 /nfs/dbraw/zinc/50/34/60/781503460.db2.gz OEBZUDVLYYHESX-UHFFFAOYSA-N 0 0 294.358 2.736 20 10 CFCDRN Oc1cc2c(cc1O)CN(Cc1cscn1)CCC2 ZINC001137597846 781506435 /nfs/dbraw/zinc/50/64/35/781506435.db2.gz RKIXMYYGWXAQHM-UHFFFAOYSA-N 0 0 276.361 2.503 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnc(C(F)(F)F)nc2)n1 ZINC001242662283 781680242 /nfs/dbraw/zinc/68/02/42/781680242.db2.gz KCGVTCBMFLZQAQ-UHFFFAOYSA-N 0 0 293.252 2.753 20 10 CFCDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccncc1 ZINC000073939426 346985853 /nfs/dbraw/zinc/98/58/53/346985853.db2.gz CFNGPCCRRBZERN-CQSZACIVSA-N 0 0 285.347 2.738 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCOC2)cc1 ZINC000041370377 346350177 /nfs/dbraw/zinc/35/01/77/346350177.db2.gz ODFOMVPLISBWBT-HNNXBMFYSA-N 0 0 298.386 2.860 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000043786440 346387179 /nfs/dbraw/zinc/38/71/79/346387179.db2.gz XMHFODDABQRYQI-GFCCVEGCSA-N 0 0 285.347 2.690 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC1 ZINC000052851244 346529615 /nfs/dbraw/zinc/52/96/15/346529615.db2.gz XIIBHNJIBWZKIE-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCc2ccc(Cl)cc21 ZINC000058725063 346649108 /nfs/dbraw/zinc/64/91/08/346649108.db2.gz YVPUTGKPVGVNBP-ONEGZZNKSA-N 0 0 285.734 2.733 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC1CC1 ZINC000060613177 346669668 /nfs/dbraw/zinc/66/96/68/346669668.db2.gz OBNKKYYKWODUIM-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN COCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000079215324 347293132 /nfs/dbraw/zinc/29/31/32/347293132.db2.gz IOYSEZORLXNJOP-UHFFFAOYSA-N 0 0 286.375 2.813 20 10 CFCDRN CN(Cc1ccccc1O)c1ncnc2c1CCCC2 ZINC000089635522 347524150 /nfs/dbraw/zinc/52/41/50/347524150.db2.gz LZGCALVFWHLPRW-UHFFFAOYSA-N 0 0 269.348 2.697 20 10 CFCDRN Cc1cnc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000089635417 347524215 /nfs/dbraw/zinc/52/42/15/347524215.db2.gz ABCYTLSZMTWQCP-UHFFFAOYSA-N 0 0 273.292 2.640 20 10 CFCDRN CN(Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000089635661 347524474 /nfs/dbraw/zinc/52/44/74/347524474.db2.gz QOKVOCHLQLXHHS-UHFFFAOYSA-N 0 0 258.277 2.937 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CO ZINC000092470899 347627978 /nfs/dbraw/zinc/62/79/78/347627978.db2.gz DSNAVUOCTMDEEH-SNVBAGLBSA-N 0 0 276.163 2.656 20 10 CFCDRN CN(Cc1ccccc1O)c1nc(C2CC2)ns1 ZINC000092689334 347641406 /nfs/dbraw/zinc/64/14/06/347641406.db2.gz AIRZEEQEKKOWDT-UHFFFAOYSA-N 0 0 261.350 2.758 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC1(C)C ZINC000611658157 351721583 /nfs/dbraw/zinc/72/15/83/351721583.db2.gz RKHRGIRTXLSCCW-ZDUSSCGKSA-N 0 0 288.391 2.914 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000611657346 351721588 /nfs/dbraw/zinc/72/15/88/351721588.db2.gz LFVUQEPJVQMIGD-ITGUQSILSA-N 0 0 286.375 2.524 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000294509204 199066669 /nfs/dbraw/zinc/06/66/69/199066669.db2.gz BYUXGQSCLUZCND-ZANVPECISA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294726576 199154767 /nfs/dbraw/zinc/15/47/67/199154767.db2.gz PSBOTHOECGAPTG-LBPRGKRZSA-N 0 0 275.751 2.681 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1(O)CCC1 ZINC000294776674 199177740 /nfs/dbraw/zinc/17/77/40/199177740.db2.gz UBXQODYSMKHOGW-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000276928787 299308928 /nfs/dbraw/zinc/30/89/28/299308928.db2.gz NTUNQBGEXRBQGS-UWVGGRQHSA-N 0 0 271.307 2.748 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCSc2ccncc21 ZINC000493527199 283731372 /nfs/dbraw/zinc/73/13/72/283731372.db2.gz QBXCDLXOQGBLMJ-UPHRSURJSA-N 0 0 289.385 2.690 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000293774104 294457086 /nfs/dbraw/zinc/45/70/86/294457086.db2.gz SLAAPKDJNJMFTK-QPUJVOFHSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187831508 296162963 /nfs/dbraw/zinc/16/29/63/296162963.db2.gz IYPUIJSJXFIGSG-ZJUUUORDSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296502337 296164466 /nfs/dbraw/zinc/16/44/66/296164466.db2.gz PBWPKJLLTJDNOP-RNCFNFMXSA-N 0 0 280.324 2.519 20 10 CFCDRN COc1ccccc1NC[C@@H](O)COc1ccccc1 ZINC000003194940 371778743 /nfs/dbraw/zinc/77/87/43/371778743.db2.gz PEHGANIRNYYRMW-CYBMUJFWSA-N 0 0 273.332 2.547 20 10 CFCDRN CCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000011638637 371923444 /nfs/dbraw/zinc/92/34/44/371923444.db2.gz NHPYUGIGERSUPG-UHFFFAOYSA-N 0 0 265.353 2.727 20 10 CFCDRN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744227 296196240 /nfs/dbraw/zinc/19/62/40/296196240.db2.gz AOQDIKXUQUNUKF-ZYHUDNBSSA-N 0 0 269.772 2.781 20 10 CFCDRN CCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000075423917 374481575 /nfs/dbraw/zinc/48/15/75/374481575.db2.gz KLHIZLPFPLLSRS-OAHLLOKOSA-N 0 0 278.396 2.876 20 10 CFCDRN COc1ccc(N(Cc2ccnn2C)C(C)C)cc1F ZINC000091072678 375040131 /nfs/dbraw/zinc/04/01/31/375040131.db2.gz KYZSVOQNFGSFOU-UHFFFAOYSA-N 0 0 277.343 2.983 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000092324700 375101249 /nfs/dbraw/zinc/10/12/49/375101249.db2.gz VMIOVAWDJIHJTL-VIFPVBQESA-N 0 0 277.343 2.732 20 10 CFCDRN COc1cccc(CN2CCO[C@H](c3ccco3)C2)c1O ZINC000093841654 375321010 /nfs/dbraw/zinc/32/10/10/375321010.db2.gz LIVNJJMSXSBHHO-HNNXBMFYSA-N 0 0 289.331 2.567 20 10 CFCDRN Nc1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000107224974 375805430 /nfs/dbraw/zinc/80/54/30/375805430.db2.gz NZEFSGZQFMBRNZ-AWEZNQCLSA-N 0 0 268.316 2.774 20 10 CFCDRN CSc1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000112230735 375893997 /nfs/dbraw/zinc/89/39/97/375893997.db2.gz MRCVMSFQHJRBAJ-UHFFFAOYSA-N 0 0 290.388 2.998 20 10 CFCDRN CC[NH+](CC)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000124528864 377061211 /nfs/dbraw/zinc/06/12/11/377061211.db2.gz LQVSJXSNVFSRTB-ZDUSSCGKSA-N 0 0 282.815 2.962 20 10 CFCDRN Cc1cccc(C[NH2+]CCN2CCCCCC2)c1O ZINC000124686453 377078321 /nfs/dbraw/zinc/07/83/21/377078321.db2.gz FIGJOVZAEKEFNC-UHFFFAOYSA-N 0 0 262.397 2.666 20 10 CFCDRN CN(C)c1ccc(CN2CCOCC23CCC3)cc1F ZINC000128223677 377324178 /nfs/dbraw/zinc/32/41/78/377324178.db2.gz LGXCKYBRDOCSFT-UHFFFAOYSA-N 0 0 278.371 2.647 20 10 CFCDRN OCCCN(Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000131138741 377665044 /nfs/dbraw/zinc/66/50/44/377665044.db2.gz VKZGZBLWIVWMEQ-UHFFFAOYSA-N 0 0 297.704 2.792 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCC[C@H](C)C2)cc1F ZINC000131436899 377711916 /nfs/dbraw/zinc/71/19/16/377711916.db2.gz CIUDVAJLCMHBAP-LBPRGKRZSA-N 0 0 294.370 2.529 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)nc(C)n2)c1 ZINC000132384563 377834621 /nfs/dbraw/zinc/83/46/21/377834621.db2.gz WIMLBOCZGHTHKM-SNVBAGLBSA-N 0 0 273.336 2.981 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2CC[C@H](C)C2)c1O ZINC000133042615 377898128 /nfs/dbraw/zinc/89/81/28/377898128.db2.gz GOMSKTQDJLVHFT-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN CC[C@@H](SC)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000151791224 378359335 /nfs/dbraw/zinc/35/93/35/378359335.db2.gz DRXOFXDKEFUFFK-CQSZACIVSA-N 0 0 294.420 2.620 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1O ZINC000153677712 378504683 /nfs/dbraw/zinc/50/46/83/378504683.db2.gz BADZKDCRGUVALO-UHFFFAOYSA-N 0 0 299.374 2.516 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ncccc1O ZINC000153987824 378530140 /nfs/dbraw/zinc/53/01/40/378530140.db2.gz OCRBJGXQNRKTPZ-UHFFFAOYSA-N 0 0 286.331 2.545 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000156096818 378635164 /nfs/dbraw/zinc/63/51/64/378635164.db2.gz FWHQHELZPBGOLT-SNVBAGLBSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000158307124 378666831 /nfs/dbraw/zinc/66/68/31/378666831.db2.gz IUMUOURWLLZRSJ-XPKDYRNWSA-N 0 0 272.392 2.991 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2ccc(F)cc2)cnn1C ZINC000160477985 378775825 /nfs/dbraw/zinc/77/58/25/378775825.db2.gz WOEDJSSNGOUWBH-RUDMXATFSA-N 0 0 273.311 2.544 20 10 CFCDRN Cc1[nH]ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175138481 380005567 /nfs/dbraw/zinc/00/55/67/380005567.db2.gz IMJNPRNBWUFCDP-UHFFFAOYSA-N 0 0 271.364 2.661 20 10 CFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1CC1 ZINC000175848122 380142846 /nfs/dbraw/zinc/14/28/46/380142846.db2.gz SRSQPQDIQISIIY-UHFFFAOYSA-N 0 0 298.180 2.913 20 10 CFCDRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)o1 ZINC000177659118 380363806 /nfs/dbraw/zinc/36/38/06/380363806.db2.gz IRSUZYIVGDFPSG-UHFFFAOYSA-N 0 0 275.304 2.580 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2[C@@H]3CCC[C@H]23)cc1 ZINC000177609854 380360001 /nfs/dbraw/zinc/36/00/01/380360001.db2.gz JDMFRVBXUDBAMW-XYPWUTKMSA-N 0 0 272.392 2.757 20 10 CFCDRN Cc1ccc(C(=O)N(C)C(C2CC2)C2CC2)c(O)c1O ZINC000179464277 380546798 /nfs/dbraw/zinc/54/67/98/380546798.db2.gz FRWNPTIUVIKXEJ-UHFFFAOYSA-N 0 0 275.348 2.667 20 10 CFCDRN CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2O)[C@H](C)C1 ZINC000179579567 380560051 /nfs/dbraw/zinc/56/00/51/380560051.db2.gz RCAHHVUDNPZOJH-HIFRSBDPSA-N 0 0 262.397 2.554 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(C)nc1C ZINC000180604003 380681263 /nfs/dbraw/zinc/68/12/63/380681263.db2.gz VQDZPFMYFVQNMS-UHFFFAOYSA-N 0 0 299.374 2.851 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000180668939 380688345 /nfs/dbraw/zinc/68/83/45/380688345.db2.gz QDLUQZZOBXVUNI-HNNXBMFYSA-N 0 0 281.421 2.974 20 10 CFCDRN COCCCOCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000181524517 380817992 /nfs/dbraw/zinc/81/79/92/380817992.db2.gz WXKJPGZNHYDQRU-UHFFFAOYSA-N 0 0 287.787 2.531 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287562592 380868164 /nfs/dbraw/zinc/86/81/64/380868164.db2.gz QEXUTQZWWFMKNV-SRVKXCTJSA-N 0 0 294.351 2.624 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)cc1[O-] ZINC000287591175 380878337 /nfs/dbraw/zinc/87/83/37/380878337.db2.gz ROIQYINPCMFVSY-AWEZNQCLSA-N 0 0 277.343 2.814 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000287595162 380878429 /nfs/dbraw/zinc/87/84/29/380878429.db2.gz RTGMTVVWHYFTHT-CWSCBRNRSA-N 0 0 255.333 2.995 20 10 CFCDRN CC[C@H]([NH2+]CCC[C@H](C)O)c1ccc(F)cc1[O-] ZINC000287522047 380854211 /nfs/dbraw/zinc/85/42/11/380854211.db2.gz ONVPUHWDKGVHEM-GWCFXTLKSA-N 0 0 255.333 2.733 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C2CC2)cc1F ZINC000287733542 380922179 /nfs/dbraw/zinc/92/21/79/380922179.db2.gz OUEFVFYCPLDYIM-UHFFFAOYSA-N 0 0 278.371 2.944 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287735429 380923355 /nfs/dbraw/zinc/92/33/55/380923355.db2.gz PIMHENDCKRZSHU-GXFFZTMASA-N 0 0 298.814 2.953 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc(Cl)c1[O-] ZINC000287740574 380925327 /nfs/dbraw/zinc/92/53/27/380925327.db2.gz PQSSRRIGCFFAHF-STQMWFEESA-N 0 0 296.798 2.755 20 10 CFCDRN CCOc1cccc(CN[C@H](C)C(F)(F)F)c1O ZINC000288477062 381012946 /nfs/dbraw/zinc/01/29/46/381012946.db2.gz PKSRSDIJTLKLNQ-MRVPVSSYSA-N 0 0 263.259 2.831 20 10 CFCDRN Cc1cc(C(=O)N2CCCOC2)c(C)n1-c1ccccc1 ZINC000288536098 381015637 /nfs/dbraw/zinc/01/56/37/381015637.db2.gz XIBIGSLTDLTZGV-UHFFFAOYSA-N 0 0 284.359 2.914 20 10 CFCDRN CN(C)c1ccc(OCc2nccn2C(F)F)cc1 ZINC000289335528 381031604 /nfs/dbraw/zinc/03/16/04/381031604.db2.gz FFVJMVWBXCZEHT-UHFFFAOYSA-N 0 0 267.279 2.923 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)CF)c(C)n1-c1ccccn1 ZINC000288203722 381007432 /nfs/dbraw/zinc/00/74/32/381007432.db2.gz MLXDOXHHLSKIJL-SNVBAGLBSA-N 0 0 275.327 2.577 20 10 CFCDRN Cc1cc(C)cc(CCC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000182533080 381106941 /nfs/dbraw/zinc/10/69/41/381106941.db2.gz QJMPVHLIJYVNAF-UHFFFAOYSA-N 0 0 299.370 2.964 20 10 CFCDRN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1nccn1C ZINC000182684033 381137557 /nfs/dbraw/zinc/13/75/57/381137557.db2.gz KZECESOINUJXMX-AWEZNQCLSA-N 0 0 290.386 2.866 20 10 CFCDRN COc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295926085 381161550 /nfs/dbraw/zinc/16/15/50/381161550.db2.gz JZRHLVJJVUQPML-RDJZCZTQSA-N 0 0 299.370 2.711 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)C[C@H](C)C2)c(O)c1O ZINC000182891143 381179151 /nfs/dbraw/zinc/17/91/51/381179151.db2.gz SFZWAKBQTYJGRE-QWRGUYRKSA-N 0 0 277.364 2.914 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c(O)c1O ZINC000182964934 381190587 /nfs/dbraw/zinc/19/05/87/381190587.db2.gz VJUOADXRHMLUPQ-MWLCHTKSSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)o1 ZINC000183425280 381270358 /nfs/dbraw/zinc/27/03/58/381270358.db2.gz ZUIBPBCPUAXSES-VIFPVBQESA-N 0 0 289.331 2.669 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)o2)cc1 ZINC000183229008 381239007 /nfs/dbraw/zinc/23/90/07/381239007.db2.gz HWOFRRGSCHKHDN-UHFFFAOYSA-N 0 0 289.331 2.776 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]n1 ZINC000183621586 381294928 /nfs/dbraw/zinc/29/49/28/381294928.db2.gz ANEPZKSBWRDJBH-PWSUYJOCSA-N 0 0 259.353 2.706 20 10 CFCDRN CCC[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183434440 381271794 /nfs/dbraw/zinc/27/17/94/381271794.db2.gz OIPYHAUVEDBLST-VXGBXAGGSA-N 0 0 279.380 2.971 20 10 CFCDRN Cc1cscc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183480194 381277755 /nfs/dbraw/zinc/27/77/55/381277755.db2.gz SCNNWVKHFCAFLS-SNVBAGLBSA-N 0 0 291.372 2.829 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H](C)OC ZINC000183919747 381339431 /nfs/dbraw/zinc/33/94/31/381339431.db2.gz SXUYPZNLJOUZOB-ZDUSSCGKSA-N 0 0 279.380 2.946 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C[C@@H]1C ZINC000296530153 381435513 /nfs/dbraw/zinc/43/55/13/381435513.db2.gz NFSJICKVLADLJS-MDZLAQPJSA-N 0 0 277.364 2.786 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000184700996 381462663 /nfs/dbraw/zinc/46/26/63/381462663.db2.gz BBYCEUFRCXIQHF-HNNXBMFYSA-N 0 0 297.782 2.667 20 10 CFCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(N)cc1)C2 ZINC000297141134 381551822 /nfs/dbraw/zinc/55/18/22/381551822.db2.gz IEERXMIWZOETRV-QGZVFWFLSA-N 0 0 296.370 2.506 20 10 CFCDRN Nc1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000297340196 381557701 /nfs/dbraw/zinc/55/77/01/381557701.db2.gz YJASUHRXJVBLGU-UHFFFAOYSA-N 0 0 280.371 2.616 20 10 CFCDRN C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185474931 381644841 /nfs/dbraw/zinc/64/48/41/381644841.db2.gz ZQNWVMBNPJTFMW-APBUJDDRSA-N 0 0 287.400 2.729 20 10 CFCDRN CO[C@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000291110765 381670394 /nfs/dbraw/zinc/67/03/94/381670394.db2.gz FJTIBFQSMVLMAB-ZUZCIYMTSA-N 0 0 294.351 2.766 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)NC(C)(C)C)C2)cc1 ZINC000371875446 381715863 /nfs/dbraw/zinc/71/58/63/381715863.db2.gz BXRPUTZNMONBLJ-UHFFFAOYSA-N 0 0 287.407 2.960 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000371743179 381689739 /nfs/dbraw/zinc/68/97/39/381689739.db2.gz HPAAJAUDDYFOBY-UHFFFAOYSA-N 0 0 262.309 2.723 20 10 CFCDRN C[C@@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000186454598 381914964 /nfs/dbraw/zinc/91/49/64/381914964.db2.gz AEVHMLYWVWXSKT-WAFBPQNNSA-N 0 0 275.348 2.760 20 10 CFCDRN Cc1c([C@H]2CCC[N@@H+]2Cc2ccccc2O)cnn1C ZINC000373153564 381938216 /nfs/dbraw/zinc/93/82/16/381938216.db2.gz MKJQJIVALMRUOG-OAHLLOKOSA-N 0 0 271.364 2.771 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCCOC(C)C ZINC000186873667 382034963 /nfs/dbraw/zinc/03/49/63/382034963.db2.gz GVZHVDKCZOYLKP-UHFFFAOYSA-N 0 0 294.395 2.739 20 10 CFCDRN CC(=O)c1ccc(N2CC=C(c3cccnc3)CC2)nc1 ZINC000375354623 382082447 /nfs/dbraw/zinc/08/24/47/382082447.db2.gz TZPLYNOLXNNNCS-UHFFFAOYSA-N 0 0 279.343 2.973 20 10 CFCDRN CCC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000293575717 382183256 /nfs/dbraw/zinc/18/32/56/382183256.db2.gz DXYACKDNMUTSMP-PWSUYJOCSA-N 0 0 255.333 2.997 20 10 CFCDRN O=[N+]([O-])c1ccc(N2CC=C(c3cccnc3)CC2)nc1 ZINC000376535599 382140204 /nfs/dbraw/zinc/14/02/04/382140204.db2.gz NWROMMBOWFSVSQ-UHFFFAOYSA-N 0 0 282.303 2.679 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCSC1 ZINC000293544066 382166326 /nfs/dbraw/zinc/16/63/26/382166326.db2.gz GHXSQJFVGXBJRT-QMMMGPOBSA-N 0 0 261.749 2.780 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293547713 382167713 /nfs/dbraw/zinc/16/77/13/382167713.db2.gz GRBMTGAEGMVRFY-LBPRGKRZSA-N 0 0 275.751 2.681 20 10 CFCDRN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293662696 382220473 /nfs/dbraw/zinc/22/04/73/382220473.db2.gz PSBOTHOECGAPTG-GFCCVEGCSA-N 0 0 275.751 2.681 20 10 CFCDRN CCC[C@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000376909793 382190317 /nfs/dbraw/zinc/19/03/17/382190317.db2.gz FYHQWWHAASBHAS-LBPRGKRZSA-N 0 0 260.381 2.731 20 10 CFCDRN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000293791174 382281406 /nfs/dbraw/zinc/28/14/06/382281406.db2.gz CMKWVTMWOUGUGR-OAHLLOKOSA-N 0 0 298.789 2.712 20 10 CFCDRN CCOc1cccc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000293798833 382284906 /nfs/dbraw/zinc/28/49/06/382284906.db2.gz DDEVDPXSZBOIHA-CQSZACIVSA-N 0 0 299.370 2.887 20 10 CFCDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000293729791 382254508 /nfs/dbraw/zinc/25/45/08/382254508.db2.gz WGYPIWYEVFGLCU-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187802504 382272421 /nfs/dbraw/zinc/27/24/21/382272421.db2.gz OBTNCYIBQCYOKO-QPUJVOFHSA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)CSC)cc1Cl ZINC000187940447 382304435 /nfs/dbraw/zinc/30/44/35/382304435.db2.gz VWIXFLGPWMBXAF-SNVBAGLBSA-N 0 0 275.801 2.509 20 10 CFCDRN CC(C)[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000293929866 382341040 /nfs/dbraw/zinc/34/10/40/382341040.db2.gz HFWUPELNBSFMSO-CQSZACIVSA-N 0 0 267.344 2.778 20 10 CFCDRN Oc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294014637 382378322 /nfs/dbraw/zinc/37/83/22/382378322.db2.gz NCLUVZBNPXWKEU-HOTGVXAUSA-N 0 0 259.349 2.536 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCCC[C@H]21 ZINC000365759058 382438592 /nfs/dbraw/zinc/43/85/92/382438592.db2.gz QUTDMDPWOJXDKU-WCQYABFASA-N 0 0 275.348 2.893 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1F ZINC000378346006 382443062 /nfs/dbraw/zinc/44/30/62/382443062.db2.gz OSQYPYNUULBRKX-UHFFFAOYSA-N 0 0 280.387 2.893 20 10 CFCDRN C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(O)c1O ZINC000188375895 382402707 /nfs/dbraw/zinc/40/27/07/382402707.db2.gz DQBHMUBCPYDLCI-VIFPVBQESA-N 0 0 287.319 2.518 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@@H](C)NC(=O)c3ccccc32)c1 ZINC000378136096 382406293 /nfs/dbraw/zinc/40/62/93/382406293.db2.gz XGBCJORGLDDZDF-CYBMUJFWSA-N 0 0 296.370 2.839 20 10 CFCDRN Cc1cnccc1CN1CCOc2cc(N(C)C)ccc21 ZINC000294671938 382523834 /nfs/dbraw/zinc/52/38/34/382523834.db2.gz AONLLYJKYJZGLB-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN c1cc(N2CCCCC2)ccc1CN1CCO[C@H]2C[C@H]21 ZINC000366515337 382524376 /nfs/dbraw/zinc/52/43/76/382524376.db2.gz DJMHOZDALSTVEZ-SJORKVTESA-N 0 0 272.392 2.650 20 10 CFCDRN COc1ccncc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000294488426 382514424 /nfs/dbraw/zinc/51/44/24/382514424.db2.gz XSNQJVCLNVMKQW-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN CC1(C)OCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294889753 382540411 /nfs/dbraw/zinc/54/04/11/382540411.db2.gz WKKXNOYMDZCQDT-LLVKDONJSA-N 0 0 255.745 2.703 20 10 CFCDRN CCc1nc(C)cc(Sc2ncc(C(=O)OC)s2)n1 ZINC000294912700 382543550 /nfs/dbraw/zinc/54/35/50/382543550.db2.gz ILCLQHRQBOWOQZ-UHFFFAOYSA-N 0 0 295.389 2.742 20 10 CFCDRN CC(C)c1n[nH]cc1C(=O)N(C)Cc1ccccc1O ZINC000189149201 382555311 /nfs/dbraw/zinc/55/53/11/382555311.db2.gz XOVZVJWDJTWFMR-UHFFFAOYSA-N 0 0 273.336 2.511 20 10 CFCDRN CCc1noc([C@@H](C)Sc2ncc(C(=O)OC)s2)n1 ZINC000295307713 382613344 /nfs/dbraw/zinc/61/33/44/382613344.db2.gz MYIPWRKRCHAVRF-ZCFIWIBFSA-N 0 0 299.377 2.728 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(C(F)F)o2)c1 ZINC000189284714 382583052 /nfs/dbraw/zinc/58/30/52/382583052.db2.gz UAJNKHCHXGPHSH-UHFFFAOYSA-N 0 0 255.224 2.633 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccnc1C ZINC000493710393 382880281 /nfs/dbraw/zinc/88/02/81/382880281.db2.gz SQYARBDMOSMRQK-SREVYHEPSA-N 0 0 285.322 2.990 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCCc3ncccc32)c1 ZINC000493770736 382900598 /nfs/dbraw/zinc/90/05/98/382900598.db2.gz KPEHYACGYNBYQS-VOTSOKGWSA-N 0 0 279.343 2.778 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)OC1CCC1 ZINC000497123734 383130807 /nfs/dbraw/zinc/13/08/07/383130807.db2.gz CORPCOXWZXBKGI-UHFFFAOYSA-N 0 0 276.336 2.641 20 10 CFCDRN CN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1ccc(F)cc1 ZINC000426636929 383407566 /nfs/dbraw/zinc/40/75/66/383407566.db2.gz JBORODURGNUTMX-UHFFFAOYSA-N 0 0 298.321 2.831 20 10 CFCDRN CC(C)c1nocc1C(=O)N(C)Cc1ccccc1O ZINC000528829160 383649356 /nfs/dbraw/zinc/64/93/56/383649356.db2.gz VTPWNLCNFBCQEJ-UHFFFAOYSA-N 0 0 274.320 2.776 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC12CC2 ZINC000528829233 383649359 /nfs/dbraw/zinc/64/93/59/383649359.db2.gz WISMRSVTKGYVOG-ZDUSSCGKSA-N 0 0 259.349 2.931 20 10 CFCDRN O=C(CC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000266450786 384177244 /nfs/dbraw/zinc/17/72/44/384177244.db2.gz CTHMIEXTPUALOQ-UHFFFAOYSA-N 0 0 259.349 2.687 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(C(C)(C)C)on1 ZINC000266600015 384205831 /nfs/dbraw/zinc/20/58/31/384205831.db2.gz RYPASTSQLQKKFJ-UHFFFAOYSA-N 0 0 288.347 2.950 20 10 CFCDRN C/C=C(\C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000267564614 384414468 /nfs/dbraw/zinc/41/44/68/384414468.db2.gz HZRUKKKDNCBYQK-QLKAYGNNSA-N 0 0 258.365 2.869 20 10 CFCDRN CCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000267570985 384416279 /nfs/dbraw/zinc/41/62/79/384416279.db2.gz IPLROYXURVGVRM-JTQLQIEISA-N 0 0 251.326 2.667 20 10 CFCDRN COc1ccc(N(C)CCCCCO)cc1Cl ZINC000268216970 384569876 /nfs/dbraw/zinc/56/98/76/384569876.db2.gz VLTKDNACNUZSFV-UHFFFAOYSA-N 0 0 257.761 2.947 20 10 CFCDRN CC[C@@H](N[C@@H](C)c1nncn1C)c1ccc(N(C)C)cc1 ZINC000268833979 384673196 /nfs/dbraw/zinc/67/31/96/384673196.db2.gz CVVTVQICCAFOGB-SWLSCSKDSA-N 0 0 287.411 2.683 20 10 CFCDRN COc1cc(N(C)CC2CC2)cc(OC)c1OC ZINC000268668314 384646910 /nfs/dbraw/zinc/64/69/10/384646910.db2.gz JTHGRJKYOCXFNQ-UHFFFAOYSA-N 0 0 251.326 2.559 20 10 CFCDRN Cn1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000268743543 384654462 /nfs/dbraw/zinc/65/44/62/384654462.db2.gz AUYZEXOJKCNSFL-UHFFFAOYSA-N 0 0 284.359 2.540 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2nccn2C)cc1 ZINC000268944667 384698821 /nfs/dbraw/zinc/69/88/21/384698821.db2.gz WFQFEJNGOZASNN-ZDUSSCGKSA-N 0 0 272.396 2.727 20 10 CFCDRN CC(C)c1ncncc1C(=O)N(C)Cc1ccccc1O ZINC000269150647 384731841 /nfs/dbraw/zinc/73/18/41/384731841.db2.gz OKHXGNDXUHNPGI-UHFFFAOYSA-N 0 0 285.347 2.578 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1(C2CC2)CCC1 ZINC000269827792 384876467 /nfs/dbraw/zinc/87/64/67/384876467.db2.gz ZRKOEDZLXSAFQF-UHFFFAOYSA-N 0 0 274.364 2.772 20 10 CFCDRN CC(C)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000269783051 384867486 /nfs/dbraw/zinc/86/74/86/384867486.db2.gz JTFKWDOLEBKHAS-NSHDSACASA-N 0 0 250.342 2.626 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1F ZINC000270120345 384983160 /nfs/dbraw/zinc/98/31/60/384983160.db2.gz GSFNNGBTPLEMLJ-MDZDMXLPSA-N 0 0 287.338 2.934 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@](C)(O)C1CC1 ZINC000270165653 385000422 /nfs/dbraw/zinc/00/04/22/385000422.db2.gz BOHLMSKUQBZIOR-KRWDZBQOSA-N 0 0 291.391 2.682 20 10 CFCDRN CCOCc1cc(C[NH2+][C@@]2(C)CCOC2)ccc1OC ZINC000270188605 385008299 /nfs/dbraw/zinc/00/82/99/385008299.db2.gz XTTAWOADCNSYRQ-INIZCTEOSA-N 0 0 279.380 2.500 20 10 CFCDRN Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1ccccc1 ZINC000270378817 385078682 /nfs/dbraw/zinc/07/86/82/385078682.db2.gz BRKFKUWUDHURRM-UHFFFAOYSA-N 0 0 286.375 2.595 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)no1 ZINC000282029974 385208315 /nfs/dbraw/zinc/20/83/15/385208315.db2.gz SYTXLPIDIBCCQZ-UHFFFAOYSA-N 0 0 272.304 2.530 20 10 CFCDRN CN(C)c1ccc(CN(Cc2ccn(C)n2)C2CC2)cc1 ZINC000270769736 385220068 /nfs/dbraw/zinc/22/00/68/385220068.db2.gz HNMBNURAXDHKTO-UHFFFAOYSA-N 0 0 284.407 2.651 20 10 CFCDRN CCCC[N@H+](CCC(=O)NC(C)C)Cc1ccccc1O ZINC000282405364 385302669 /nfs/dbraw/zinc/30/26/69/385302669.db2.gz IENHUDQWNRXLLJ-UHFFFAOYSA-N 0 0 292.423 2.909 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C(C)(C)F)C2CC2)cc1 ZINC000271180786 385364232 /nfs/dbraw/zinc/36/42/32/385364232.db2.gz ZMYZPJBXCGWRHO-UHFFFAOYSA-N 0 0 278.371 2.992 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C=Cc1c[nH]cn1 ZINC000282723537 385377354 /nfs/dbraw/zinc/37/73/54/385377354.db2.gz HTOYFRYWQLQGMM-CMDGGOBGSA-N 0 0 299.374 2.957 20 10 CFCDRN C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1O ZINC000282775408 385386967 /nfs/dbraw/zinc/38/69/67/385386967.db2.gz PFXLBILUGKRVPW-JTQLQIEISA-N 0 0 292.358 2.729 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCCSCC2)cc1OC ZINC000271062594 385326448 /nfs/dbraw/zinc/32/64/48/385326448.db2.gz TTYHGRJVZBJHRA-UHFFFAOYSA-N 0 0 298.364 2.555 20 10 CFCDRN Cc1ccc(O)c(C[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282915604 385410328 /nfs/dbraw/zinc/41/03/28/385410328.db2.gz GVQFLSFRLCKWJS-AWEZNQCLSA-N 0 0 271.364 2.601 20 10 CFCDRN CCCc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000271971172 385414931 /nfs/dbraw/zinc/41/49/31/385414931.db2.gz JNUCQPOMGTYKLB-UHFFFAOYSA-N 0 0 267.716 2.993 20 10 CFCDRN CCOC(=O)CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272231641 385482220 /nfs/dbraw/zinc/48/22/20/385482220.db2.gz DWJWWIWEJYZZOD-UHFFFAOYSA-N 0 0 295.354 2.697 20 10 CFCDRN CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272331311 385511703 /nfs/dbraw/zinc/51/17/03/385511703.db2.gz WNBPFGUNIPOXDJ-GFCCVEGCSA-N 0 0 295.354 2.695 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000284752507 385550223 /nfs/dbraw/zinc/55/02/23/385550223.db2.gz XRSKTEPMQQZIQN-GOEBONIOSA-N 0 0 288.322 2.546 20 10 CFCDRN C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492136 385551265 /nfs/dbraw/zinc/55/12/65/385551265.db2.gz DXRVIPGVYURWLV-IUCAKERBSA-N 0 0 290.190 2.902 20 10 CFCDRN Cc1cc(O)c(CNc2ccnc(C(=O)N(C)C)c2)cc1C ZINC000285312077 385553774 /nfs/dbraw/zinc/55/37/74/385553774.db2.gz VUOUSJFBYBQZMN-UHFFFAOYSA-N 0 0 299.374 2.718 20 10 CFCDRN Cc1coc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000285764010 385556826 /nfs/dbraw/zinc/55/68/26/385556826.db2.gz IYGRYOJNRCFJSU-SNVBAGLBSA-N 0 0 289.331 2.669 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285744754 385557214 /nfs/dbraw/zinc/55/72/14/385557214.db2.gz RHZGJCHETIMTKM-AAEUAGOBSA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@@H]([NH2+]CCCOCCOC)c1ccc(F)cc1[O-] ZINC000285863341 385558076 /nfs/dbraw/zinc/55/80/76/385558076.db2.gz YOIAPIGAEIIIFP-CQSZACIVSA-N 0 0 285.359 2.625 20 10 CFCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285906231 385558757 /nfs/dbraw/zinc/55/87/57/385558757.db2.gz CYGVNLMLWRJTBG-BXUZGUMPSA-N 0 0 296.386 2.877 20 10 CFCDRN CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286069183 385559385 /nfs/dbraw/zinc/55/93/85/385559385.db2.gz LTQYPBISXPLINA-DZGCQCFKSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@H](COC)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286121501 385561978 /nfs/dbraw/zinc/56/19/78/385561978.db2.gz OCZRZOSXHDYYCU-DGCLKSJQSA-N 0 0 255.333 2.997 20 10 CFCDRN Cc1ccc(C(=O)N(C)C2Cc3ccccc3C2)c(O)c1O ZINC000272890038 385642713 /nfs/dbraw/zinc/64/27/13/385642713.db2.gz ZCTTXEOZXCTGKT-UHFFFAOYSA-N 0 0 297.354 2.646 20 10 CFCDRN CCn1cnnc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000273371020 385678941 /nfs/dbraw/zinc/67/89/41/385678941.db2.gz GFEHAHQRRQMENO-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365442 385679246 /nfs/dbraw/zinc/67/92/46/385679246.db2.gz BFYPFJIQZRWENR-VZJVUDMVSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362430 385679555 /nfs/dbraw/zinc/67/95/55/385679555.db2.gz DDZKCNFXJHNLGG-UTLUCORTSA-N 0 0 250.298 2.607 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]CCn2ccnc2)c(O)c1C ZINC000273392049 385680827 /nfs/dbraw/zinc/68/08/27/385680827.db2.gz LBRLWVPFHAWTSX-CYBMUJFWSA-N 0 0 259.353 2.556 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)c(O)c1C ZINC000273423129 385683106 /nfs/dbraw/zinc/68/31/06/385683106.db2.gz SOGZTTHOMWHVDM-GFCCVEGCSA-N 0 0 259.353 2.593 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCSCC2)c1 ZINC000273519288 385686381 /nfs/dbraw/zinc/68/63/81/385686381.db2.gz TYHPNYXLLDCGJE-SNVBAGLBSA-N 0 0 295.404 2.725 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000273565488 385689711 /nfs/dbraw/zinc/68/97/11/385689711.db2.gz JKOFLHHDCFOXPF-JQWIXIFHSA-N 0 0 295.404 2.725 20 10 CFCDRN Cc1cnc(C)c(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000273855263 385695650 /nfs/dbraw/zinc/69/56/50/385695650.db2.gz KYIQTUVIORUSQS-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1 ZINC000274039463 385706928 /nfs/dbraw/zinc/70/69/28/385706928.db2.gz JBIMYKMPPDTEJX-UHFFFAOYSA-N 0 0 277.343 2.521 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCS2)cc1F ZINC000272973383 385669058 /nfs/dbraw/zinc/66/90/58/385669058.db2.gz NTQOKXKBZWOBKI-CQSZACIVSA-N 0 0 296.411 2.794 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275104245 385933318 /nfs/dbraw/zinc/93/33/18/385933318.db2.gz FFMRRYHKAWEQMR-WDMOLILDSA-N 0 0 294.351 2.502 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276900972 386074253 /nfs/dbraw/zinc/07/42/53/386074253.db2.gz IZPZVUKWSNJANC-BXKDBHETSA-N 0 0 273.323 2.728 20 10 CFCDRN COc1cc(-c2ccnc3c2ccn3C)cnc1OC ZINC001240621910 781984782 /nfs/dbraw/zinc/98/47/82/781984782.db2.gz ISAPLPRXANBPLF-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN CCCN(C(=O)NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000372456989 393450278 /nfs/dbraw/zinc/45/02/78/393450278.db2.gz XFGGBHRIMHPOGO-UHFFFAOYSA-N 0 0 287.407 2.763 20 10 CFCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372456192 393450290 /nfs/dbraw/zinc/45/02/90/393450290.db2.gz VLAZJEHVRNAYRT-OAHLLOKOSA-N 0 0 287.407 2.763 20 10 CFCDRN CN(CC1CCC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372457054 393450372 /nfs/dbraw/zinc/45/03/72/393450372.db2.gz XLFSKKCDLZKALF-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ccccn3)C2)cc1 ZINC000374283192 393490895 /nfs/dbraw/zinc/49/08/95/393490895.db2.gz LUBVTTZIACZRCZ-UHFFFAOYSA-N 0 0 293.370 2.687 20 10 CFCDRN CCCCc1nnc(NC(=O)c2cccc(O)c2O)s1 ZINC000186857211 393549704 /nfs/dbraw/zinc/54/97/04/393549704.db2.gz CTZAVELEXFPCAS-UHFFFAOYSA-N 0 0 293.348 2.544 20 10 CFCDRN CCCCOCC(=O)N(CCC)Cc1ccccc1O ZINC000118495309 393911908 /nfs/dbraw/zinc/91/19/08/393911908.db2.gz GNMNXQIESTXTHM-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN CC[C@H](C)OCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000119634538 393923126 /nfs/dbraw/zinc/92/31/26/393923126.db2.gz RITAPOJDLXNAPU-ZDUSSCGKSA-N 0 0 290.407 2.500 20 10 CFCDRN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744222 394022485 /nfs/dbraw/zinc/02/24/85/394022485.db2.gz AOQDIKXUQUNUKF-CMPLNLGQSA-N 0 0 269.772 2.781 20 10 CFCDRN CSC1(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000348657255 393955584 /nfs/dbraw/zinc/95/55/84/393955584.db2.gz BZFOHZYOCCQWFY-UHFFFAOYSA-N 0 0 288.416 2.999 20 10 CFCDRN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000271744225 394022517 /nfs/dbraw/zinc/02/25/17/394022517.db2.gz AOQDIKXUQUNUKF-PWSUYJOCSA-N 0 0 269.772 2.781 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)COC(C)C ZINC000348635766 393955871 /nfs/dbraw/zinc/95/58/71/393955871.db2.gz UKTHQUSWIUMKLP-UHFFFAOYSA-N 0 0 274.364 2.528 20 10 CFCDRN COC(=O)c1coc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000121751872 393959667 /nfs/dbraw/zinc/95/96/67/393959667.db2.gz QGKORLNCCZGZTK-UHFFFAOYSA-N 0 0 293.294 2.850 20 10 CFCDRN CCS[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000122064785 393964438 /nfs/dbraw/zinc/96/44/38/393964438.db2.gz SKIAPRPXHGLXIC-CQSZACIVSA-N 0 0 297.420 2.534 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000492871272 394085786 /nfs/dbraw/zinc/08/57/86/394085786.db2.gz XDDVAUUFAJCWID-RUDMXATFSA-N 0 0 285.347 2.873 20 10 CFCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2c(O)cccc21 ZINC000283228940 394130304 /nfs/dbraw/zinc/13/03/04/394130304.db2.gz STLWQUCOWFMYRS-QRGHLMKCSA-N 0 0 283.331 2.669 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)CCC2 ZINC000284005913 394133911 /nfs/dbraw/zinc/13/39/11/394133911.db2.gz NUPBGYQGIVEOPM-VOTSOKGWSA-N 0 0 267.332 2.711 20 10 CFCDRN CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc(Cl)c1[O-] ZINC000286821929 394200136 /nfs/dbraw/zinc/20/01/36/394200136.db2.gz CGTYKWCOLSAOPT-CYBMUJFWSA-N 0 0 296.798 2.613 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000290232027 394227384 /nfs/dbraw/zinc/22/73/84/394227384.db2.gz RTGMTVVWHYFTHT-GBIKHYSHSA-N 0 0 255.333 2.995 20 10 CFCDRN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000295054995 394296662 /nfs/dbraw/zinc/29/66/62/394296662.db2.gz YCNDHEMUVDFFPE-VIFPVBQESA-N 0 0 281.327 2.745 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@H](O)C(F)F ZINC000296321532 394307260 /nfs/dbraw/zinc/30/72/60/394307260.db2.gz GUQKYQJAXAUHDE-LOWVWBTDSA-N 0 0 291.313 2.977 20 10 CFCDRN CCc1nn(C)cc1N[C@H]1CCc2cccc(O)c21 ZINC000296942649 394312561 /nfs/dbraw/zinc/31/25/61/394312561.db2.gz QMKNGLYNFHCEEC-LBPRGKRZSA-N 0 0 257.337 2.788 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C\c1cncs1 ZINC000493819559 394323075 /nfs/dbraw/zinc/32/30/75/394323075.db2.gz KFSOESNHWAXLAB-WAYWQWQTSA-N 0 0 259.334 2.523 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c(O)c1O ZINC000291967757 292049590 /nfs/dbraw/zinc/04/95/90/292049590.db2.gz SLZRKKFIAKSFFB-AWEZNQCLSA-N 0 0 275.348 2.667 20 10 CFCDRN C[C@@H]([NH2+]CCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365542 287030398 /nfs/dbraw/zinc/03/03/98/287030398.db2.gz BISJSSYUQKTTKE-SECBINFHSA-N 0 0 293.348 2.650 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480142 287058003 /nfs/dbraw/zinc/05/80/03/287058003.db2.gz LXCYLJPESGOVOU-GHMZBOCLSA-N 0 0 280.324 2.520 20 10 CFCDRN O=C(Nc1ccc2[nH]ccc2c1)c1cccc(O)c1O ZINC000072106125 176316512 /nfs/dbraw/zinc/31/65/12/176316512.db2.gz XPGCANYDXSFIBT-UHFFFAOYSA-N 0 0 268.272 2.831 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](F)C1 ZINC000334682144 225248105 /nfs/dbraw/zinc/24/81/05/225248105.db2.gz BTSFMUPYDJZNJC-GFCCVEGCSA-N 0 0 289.354 2.740 20 10 CFCDRN CCOc1ccc(-c2ncnc3c2ccn3C)c(OCC)n1 ZINC001243158815 782023889 /nfs/dbraw/zinc/02/38/89/782023889.db2.gz ZTWIRNJOBPXWHQ-UHFFFAOYSA-N 0 0 298.346 2.828 20 10 CFCDRN CCN(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661175 260225380 /nfs/dbraw/zinc/22/53/80/260225380.db2.gz WEIAWQMKWJVTGQ-UHFFFAOYSA-N 0 0 275.396 2.620 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCOCc1ccccc1 ZINC000299253338 263236348 /nfs/dbraw/zinc/23/63/48/263236348.db2.gz QQXFSTJQHHWJKU-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000299550906 263246757 /nfs/dbraw/zinc/24/67/57/263246757.db2.gz XKTPYEKWWVLZMQ-WCQYABFASA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1cccc(CN(C)Cc2cn3c(n2)CCCC3)c1O ZINC000369333577 267236697 /nfs/dbraw/zinc/23/66/97/267236697.db2.gz DHRJJWNRBQGSDA-UHFFFAOYSA-N 0 0 285.391 2.865 20 10 CFCDRN Cc1nccn1-c1cccc(N(C)Cc2ccccc2O)n1 ZINC000370392569 267315651 /nfs/dbraw/zinc/31/56/51/267315651.db2.gz ZWJWQZUJJLVXSU-UHFFFAOYSA-N 0 0 294.358 2.918 20 10 CFCDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000290266656 287864583 /nfs/dbraw/zinc/86/45/83/287864583.db2.gz VTSOXHPNAVCGTK-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN CN1CCc2cc(/C=C3/SC(=S)N(C)C3=O)ccc21 ZINC000130418293 276972980 /nfs/dbraw/zinc/97/29/80/276972980.db2.gz YQCHENRMXVBXNJ-XYOKQWHBSA-N 0 0 290.413 2.510 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748056 277442474 /nfs/dbraw/zinc/44/24/74/277442474.db2.gz ATWNSSVQSSCKLB-PWSUYJOCSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)CO)c1cccc(Cl)c1[O-] ZINC000287850855 288047230 /nfs/dbraw/zinc/04/72/30/288047230.db2.gz WTTALXHHSQECHP-CABZTGNLSA-N 0 0 257.761 2.715 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000287726555 288059915 /nfs/dbraw/zinc/05/99/15/288059915.db2.gz OXMYPSIJDPEOOW-BMKPQVEQSA-N 0 0 289.828 2.853 20 10 CFCDRN CC[C@H](O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000293616595 288115110 /nfs/dbraw/zinc/11/51/10/288115110.db2.gz JLLHWWKNPICNFJ-CABZTGNLSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000177667440 280245987 /nfs/dbraw/zinc/24/59/87/280245987.db2.gz JLKFHOYHBCAXSK-LLVKDONJSA-N 0 0 263.337 2.811 20 10 CFCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1c(F)cccc1F ZINC000493145937 281280427 /nfs/dbraw/zinc/28/04/27/281280427.db2.gz BXPOXXHGLHMIIM-SREVYHEPSA-N 0 0 276.286 2.980 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000186086007 290037921 /nfs/dbraw/zinc/03/79/21/290037921.db2.gz YZPFWBTYUSQOGI-JQWIXIFHSA-N 0 0 294.370 2.581 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276937528 293546267 /nfs/dbraw/zinc/54/62/67/293546267.db2.gz PDUZNQWGIGVRNY-CABZTGNLSA-N 0 0 273.323 2.992 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276184791 294338085 /nfs/dbraw/zinc/33/80/85/294338085.db2.gz VVRPIDXIJGWSHK-DJLDLDEBSA-N 0 0 259.296 2.744 20 10 CFCDRN C[C@@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180246614 297182381 /nfs/dbraw/zinc/18/23/81/297182381.db2.gz HXAXGXVVXTZPEK-SECBINFHSA-N 0 0 257.786 2.983 20 10 CFCDRN O=C(CCC1CCCC1)NCc1ccc(O)cc1O ZINC000828027590 782068609 /nfs/dbraw/zinc/06/86/09/782068609.db2.gz ZPJGGSBLXUHRFN-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(Cl)cn1 ZINC000255498722 326984713 /nfs/dbraw/zinc/98/47/13/326984713.db2.gz CWCYWMLAONUGJL-DJWKRKHSSA-N 0 0 291.713 2.945 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCOc2cc(F)ccc21 ZINC000255627761 327000303 /nfs/dbraw/zinc/00/03/03/327000303.db2.gz ALABRSCVQDFXCM-UTCJRWHESA-N 0 0 284.290 2.660 20 10 CFCDRN C[C@H](Nc1cccc2c1OCC(=O)N2)c1ccccc1O ZINC000368100533 328935357 /nfs/dbraw/zinc/93/53/57/328935357.db2.gz HTEWIPZEQDWIQT-JTQLQIEISA-N 0 0 284.315 2.896 20 10 CFCDRN CC(C)c1ncc2c(n1)CCN(Cc1ccccc1O)C2 ZINC000527620232 330265924 /nfs/dbraw/zinc/26/59/24/330265924.db2.gz ZJFGGTPSTWKLIK-UHFFFAOYSA-N 0 0 283.375 2.864 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1C ZINC000527804648 330284363 /nfs/dbraw/zinc/28/43/63/330284363.db2.gz RCNZKYPPEIOKMG-DVZHBHJUSA-N 0 0 263.381 2.911 20 10 CFCDRN CCn1ncc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000527924553 330296292 /nfs/dbraw/zinc/29/62/92/330296292.db2.gz QIPHKHWPJJTHES-JTQLQIEISA-N 0 0 294.786 2.816 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527925881 330296573 /nfs/dbraw/zinc/29/65/73/330296573.db2.gz JYFVLDZOWMFHDO-NWDGAFQWSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527925882 330296666 /nfs/dbraw/zinc/29/66/66/330296666.db2.gz JYFVLDZOWMFHDO-RYUDHWBXSA-N 0 0 267.344 2.999 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1cccc(OC)c1 ZINC000491115628 332151173 /nfs/dbraw/zinc/15/11/73/332151173.db2.gz AQQZLWNNPCJOPZ-FPLPWBNLSA-N 0 0 283.331 2.552 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCc2ccccc21 ZINC000492452123 332398009 /nfs/dbraw/zinc/39/80/09/332398009.db2.gz CILKATHLIKFGOU-VOTSOKGWSA-N 0 0 264.328 2.993 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000492540618 332402214 /nfs/dbraw/zinc/40/22/14/332402214.db2.gz WUZKYCVHPXACIH-ZZXKWVIFSA-N 0 0 296.326 2.795 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(O)c1O ZINC000529577134 333499111 /nfs/dbraw/zinc/49/91/11/333499111.db2.gz JIEOEGCMTZCYKA-UTUOFQBUSA-N 0 0 275.348 2.572 20 10 CFCDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(Cl)cn1 ZINC000076346253 334079662 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/nfs/dbraw/zinc/35/61/08/524356108.db2.gz UYIIXNLXTQASGA-UHFFFAOYSA-N 0 0 252.701 2.973 20 10 CFCDRN COc1ccc(N2CCC(Nc3cncc(C)n3)CC2)cc1 ZINC000302110093 524403917 /nfs/dbraw/zinc/40/39/17/524403917.db2.gz PCPUJSIDNFOGRU-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000178464648 524464201 /nfs/dbraw/zinc/46/42/01/524464201.db2.gz QFPWUIOKRVRKIZ-OLZOCXBDSA-N 0 0 275.396 2.693 20 10 CFCDRN C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168168190 524670517 /nfs/dbraw/zinc/67/05/17/524670517.db2.gz RALBGVLPUGCILH-GJEGPGMTSA-N 0 0 296.219 2.556 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H](C)C1 ZINC000226153319 524691401 /nfs/dbraw/zinc/69/14/01/524691401.db2.gz KFURJGOYQUCBFE-XUJVJEKNSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000274724013 524696345 /nfs/dbraw/zinc/69/63/45/524696345.db2.gz AWBKBQWZPNHLDH-ACOKQAKJSA-N 0 0 289.375 2.891 20 10 CFCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCO3)c1 ZINC000037103547 524755412 /nfs/dbraw/zinc/75/54/12/524755412.db2.gz HNFSOAWZWTXNRU-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(CCO)cc2)c1 ZINC000040738456 524755598 /nfs/dbraw/zinc/75/55/98/524755598.db2.gz SSBXXFOKMLJKGU-UHFFFAOYSA-N 0 0 273.332 2.548 20 10 CFCDRN Cc1cccc(OC[C@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000237471901 524758942 /nfs/dbraw/zinc/75/89/42/524758942.db2.gz XHIXAIYDQUAIRM-AWEZNQCLSA-N 0 0 298.386 2.703 20 10 CFCDRN C[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192724297 524776911 /nfs/dbraw/zinc/77/69/11/524776911.db2.gz DZCQCLSQEWQJMD-SFYZADRCSA-N 0 0 278.179 2.978 20 10 CFCDRN Cc1cc(COc2ccc(N3CCCC3)cc2)ncn1 ZINC000291870533 524807614 /nfs/dbraw/zinc/80/76/14/524807614.db2.gz JYBVQCVZJKWCJX-UHFFFAOYSA-N 0 0 269.348 2.964 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000191732139 524985645 /nfs/dbraw/zinc/98/56/45/524985645.db2.gz JKPWTIVCJWKEEK-SCZZXKLOSA-N 0 0 290.190 2.759 20 10 CFCDRN COc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747642 525059057 /nfs/dbraw/zinc/05/90/57/525059057.db2.gz VQJCEBRYMIIFEL-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2nncn2C(C)C)cc1C ZINC000292078246 525311612 /nfs/dbraw/zinc/31/16/12/525311612.db2.gz MFTVZLHJRSWCOO-UHFFFAOYSA-N 0 0 288.395 2.813 20 10 CFCDRN C[C@H]([NH2+]CCN1CCCCC1)c1ccc(F)cc1[O-] ZINC000062748274 525350308 /nfs/dbraw/zinc/35/03/08/525350308.db2.gz ZUWMDPBODSYNEH-LBPRGKRZSA-N 0 0 266.360 2.668 20 10 CFCDRN Cc1ccc(O)c(CN[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000158053499 525353118 /nfs/dbraw/zinc/35/31/18/525353118.db2.gz WVCYFXJXQWVLHM-NSHDSACASA-N 0 0 265.353 2.520 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000062745187 525439448 /nfs/dbraw/zinc/43/94/48/525439448.db2.gz LIRSFIITBSIIAS-OCCSQVGLSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@@H]([NH2+]CCc1nccs1)c1ccc(F)cc1[O-] ZINC000063134001 525467369 /nfs/dbraw/zinc/46/73/69/525467369.db2.gz VXOOAVXGPWFWHA-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cn(C(C)(C)C)nn1 ZINC000191153501 525530962 /nfs/dbraw/zinc/53/09/62/525530962.db2.gz WOVDYNVHRMKXAH-UHFFFAOYSA-N 0 0 286.379 2.604 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000066768323 525610005 /nfs/dbraw/zinc/61/00/05/525610005.db2.gz PZNFETSAVZKOFO-GFCCVEGCSA-N 0 0 292.448 2.684 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000273611018 525609861 /nfs/dbraw/zinc/60/98/61/525609861.db2.gz VVGYAQHCEYXGHN-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469194 525655621 /nfs/dbraw/zinc/65/56/21/525655621.db2.gz FISGPKUAOVDGHM-GHMZBOCLSA-N 0 0 294.351 2.766 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@H](C)c2ncn(C)n2)c(O)c1C ZINC000275726836 525748091 /nfs/dbraw/zinc/74/80/91/525748091.db2.gz ONLGKWJTQHKHTK-VXGBXAGGSA-N 0 0 274.368 2.549 20 10 CFCDRN C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192588365 525807990 /nfs/dbraw/zinc/80/79/90/525807990.db2.gz BBMXCJLUDLLPHA-RNFRBKRXSA-N 0 0 264.152 2.730 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647270 525837483 /nfs/dbraw/zinc/83/74/83/525837483.db2.gz VZRIMCDWNQDUET-DTWKUNHWSA-N 0 0 299.367 2.641 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000279696933 525881412 /nfs/dbraw/zinc/88/14/12/525881412.db2.gz QPAVIYAJBITFFE-CQSZACIVSA-N 0 0 269.772 2.783 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2C)c1O ZINC000073440315 525988422 /nfs/dbraw/zinc/98/84/22/525988422.db2.gz FKODSEDSVFAUMN-DGCLKSJQSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNc2cn(C)nc2C2CC2)c1O ZINC000291220715 526043349 /nfs/dbraw/zinc/04/33/49/526043349.db2.gz JKPASPGJKDXKNB-UHFFFAOYSA-N 0 0 273.336 2.624 20 10 CFCDRN Cc1cncc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000189979128 526198055 /nfs/dbraw/zinc/19/80/55/526198055.db2.gz XYTBYGNEBRZRHV-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ns1 ZINC000277784628 526223268 /nfs/dbraw/zinc/22/32/68/526223268.db2.gz FVDHKDSIYIJFTB-UHFFFAOYSA-N 0 0 289.404 2.790 20 10 CFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000298371259 526232011 /nfs/dbraw/zinc/23/20/11/526232011.db2.gz NTHCVUUTGHQAGR-UHFFFAOYSA-N 0 0 299.374 2.854 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCCNC(=O)Cc1ccc(N)cc1 ZINC000195162442 526262805 /nfs/dbraw/zinc/26/28/05/526262805.db2.gz ZNUIMSRWRJAPKJ-XJKSGUPXSA-N 0 0 290.407 2.523 20 10 CFCDRN O=C(CC1=CCCCC1)NCCc1ccc(O)c(O)c1 ZINC000156594117 526338974 /nfs/dbraw/zinc/33/89/74/526338974.db2.gz RMMOBIMVUFTZMR-UHFFFAOYSA-N 0 0 275.348 2.647 20 10 CFCDRN Cc1nnc(NCc2ccc(N3CCCC3)cc2)o1 ZINC000265607571 526370774 /nfs/dbraw/zinc/37/07/74/526370774.db2.gz NVSDXCWSOHSACJ-UHFFFAOYSA-N 0 0 258.325 2.590 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 ZINC000158916973 526686722 /nfs/dbraw/zinc/68/67/22/526686722.db2.gz PMAPDJQEZVQSNU-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)C1CCC1 ZINC000277599985 526710746 /nfs/dbraw/zinc/71/07/46/526710746.db2.gz UDDHMFLZRPBGNQ-UHFFFAOYSA-N 0 0 284.153 2.571 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000273496281 526773819 /nfs/dbraw/zinc/77/38/19/526773819.db2.gz QRWXUQRGAJOLEE-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCCCCO ZINC000102907755 527017640 /nfs/dbraw/zinc/01/76/40/527017640.db2.gz BINJJPWPFBKWOH-UHFFFAOYSA-N 0 0 262.378 2.952 20 10 CFCDRN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158104612 527578375 /nfs/dbraw/zinc/57/83/75/527578375.db2.gz VVZOWSZZGQBVRX-ZDUSSCGKSA-N 0 0 291.782 2.946 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(C1)CCCCC2 ZINC000274722110 527612103 /nfs/dbraw/zinc/61/21/03/527612103.db2.gz AITWPXVMHOSQKE-FNORWQNLSA-N 0 0 287.359 2.904 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C2CC2)C1 ZINC000292089881 527612734 /nfs/dbraw/zinc/61/27/34/527612734.db2.gz NBWMCQZFPRQYIS-YOIVXCQUSA-N 0 0 287.359 2.760 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C1CC1 ZINC000361103482 527613588 /nfs/dbraw/zinc/61/35/88/527613588.db2.gz IACBOMHTTCDKOE-GBVBUYCNSA-N 0 0 273.332 2.512 20 10 CFCDRN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000753574361 574064578 /nfs/dbraw/zinc/06/45/78/574064578.db2.gz CXDQJZWVLNWXCY-ISVAXAHUSA-N 0 0 273.735 2.842 20 10 CFCDRN CC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000727940825 574074766 /nfs/dbraw/zinc/07/47/66/574074766.db2.gz AIFRYQTWTFTPOA-ZDUSSCGKSA-N 0 0 293.386 2.976 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CC2)cc1 ZINC000728222513 574087131 /nfs/dbraw/zinc/08/71/31/574087131.db2.gz HQWUPINNEBLRLG-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN Cc1ccc(C(=O)OCc2cccc(Cl)n2)c(O)c1O ZINC000744909683 574092555 /nfs/dbraw/zinc/09/25/55/574092555.db2.gz LARBXBPIRCAGNJ-UHFFFAOYSA-N 0 0 293.706 2.812 20 10 CFCDRN O=C(OCCc1ccc2c(c1)CCO2)C1=CC(=O)CS1 ZINC000745003069 574096601 /nfs/dbraw/zinc/09/66/01/574096601.db2.gz VWVDEUNVWTWTCP-UHFFFAOYSA-N 0 0 290.340 2.788 20 10 CFCDRN CCCCNC(=S)N[C@@H](C)c1cc(OC)ccc1O ZINC000728791760 574110316 /nfs/dbraw/zinc/11/03/16/574110316.db2.gz 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/nfs/dbraw/zinc/13/12/08/574131208.db2.gz ZZXXNRAYGAWHNN-GRYCIOLGSA-N 0 0 296.436 2.550 20 10 CFCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)N(C)c1ccccc1 ZINC000731869379 574132627 /nfs/dbraw/zinc/13/26/27/574132627.db2.gz GGVHMMZDYRGITP-NSHDSACASA-N 0 0 290.388 2.708 20 10 CFCDRN CC[C@@H](C)NC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740628443 574134943 /nfs/dbraw/zinc/13/49/43/574134943.db2.gz FELFWIIUDKXJBF-CYBMUJFWSA-N 0 0 289.448 2.825 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCCC2)c1 ZINC000728938101 574140264 /nfs/dbraw/zinc/14/02/64/574140264.db2.gz NEFCNTMDHLYIFH-LLVKDONJSA-N 0 0 292.379 2.951 20 10 CFCDRN CCCCO[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728981504 574143448 /nfs/dbraw/zinc/14/34/48/574143448.db2.gz BQYOUXRVAYDUPI-NWDGAFQWSA-N 0 0 295.379 2.783 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccs2)c1 ZINC000728985473 574143500 /nfs/dbraw/zinc/14/35/00/574143500.db2.gz XXSAJJKGKOEELD-SECBINFHSA-N 0 0 277.345 2.953 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)COC)cc1 ZINC000755192661 574145396 /nfs/dbraw/zinc/14/53/96/574145396.db2.gz HWEWHBCCULYGIU-CQSZACIVSA-N 0 0 292.423 2.822 20 10 CFCDRN CN(CC(=O)Nc1ccccc1F)Cc1ccccc1O ZINC000732203185 574145804 /nfs/dbraw/zinc/14/58/04/574145804.db2.gz OHRLWORXCANEFM-UHFFFAOYSA-N 0 0 288.322 2.602 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1cccnc1 ZINC000732267109 574148030 /nfs/dbraw/zinc/14/80/30/574148030.db2.gz CARPDXJNCGUFOZ-LBPRGKRZSA-N 0 0 274.345 2.826 20 10 CFCDRN COc1ccc(CCCNC(=O)C2=CC(=O)CS2)cc1 ZINC000732275173 574149368 /nfs/dbraw/zinc/14/93/68/574149368.db2.gz FZRLAGKAQRRZHH-UHFFFAOYSA-N 0 0 291.372 2.825 20 10 CFCDRN C[C@@H](Cc1ccsc1)NC(=O)C1=CC(=O)CS1 ZINC000732276913 574149476 /nfs/dbraw/zinc/14/94/76/574149476.db2.gz WOARRYKGHCDDFU-QMMMGPOBSA-N 0 0 267.375 2.876 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746722286 574164523 /nfs/dbraw/zinc/16/45/23/574164523.db2.gz RPHGSTMGZZBMBY-IUODEOHRSA-N 0 0 287.407 2.524 20 10 CFCDRN CN(Cc1cc[nH]n1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000732670207 574165038 /nfs/dbraw/zinc/16/50/38/574165038.db2.gz NWNUUCCVPIBTMW-UHFFFAOYSA-N 0 0 289.379 2.750 20 10 CFCDRN CC1=C(C(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000746767243 574165950 /nfs/dbraw/zinc/16/59/50/574165950.db2.gz UISQDMVJUDZHMW-UHFFFAOYSA-N 0 0 258.365 2.869 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2c(c1O)CCCC2 ZINC000755514804 574166878 /nfs/dbraw/zinc/16/68/78/574166878.db2.gz IUKWYNVGVXRGMP-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN COC(=O)c1occc1CN1CCc2cc(OC)ccc21 ZINC000746856368 574168052 /nfs/dbraw/zinc/16/80/52/574168052.db2.gz QLOFEZAQVFSVFN-UHFFFAOYSA-N 0 0 287.315 2.638 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1C ZINC000738464029 574170261 /nfs/dbraw/zinc/17/02/61/574170261.db2.gz XFHYZBUVQWIOOM-CQSZACIVSA-N 0 0 289.375 2.696 20 10 CFCDRN O=C(CSc1nccs1)Nc1ccc(Cl)nc1 ZINC000729171867 574181341 /nfs/dbraw/zinc/18/13/41/574181341.db2.gz GBQUUXVKGFLVAA-UHFFFAOYSA-N 0 0 285.781 2.922 20 10 CFCDRN COc1c(F)ccc(F)c1C(=O)NCc1ccccc1O ZINC000755769713 574186307 /nfs/dbraw/zinc/18/63/07/574186307.db2.gz QALHNDANTOBQLD-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CCC3(C)C)ccc21 ZINC000747586309 574202574 /nfs/dbraw/zinc/20/25/74/574202574.db2.gz WEROQBICPTYQAG-UHFFFAOYSA-N 0 0 287.407 2.763 20 10 CFCDRN COc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747720717 574208190 /nfs/dbraw/zinc/20/81/90/574208190.db2.gz JONIDWHPVALMOB-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN CCc1cc(N[C@H](C)c2cc(OC)ccc2O)ncn1 ZINC000733190294 574209746 /nfs/dbraw/zinc/20/97/46/574209746.db2.gz RLASNEFYCALEQG-SNVBAGLBSA-N 0 0 273.336 2.926 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739503914 574215801 /nfs/dbraw/zinc/21/58/01/574215801.db2.gz CGILJCNJDBLXPW-LBPRGKRZSA-N 0 0 278.352 2.521 20 10 CFCDRN CCN(CC(=O)N[C@H](C)C(C)C)c1ccc(OC)cc1 ZINC000729473370 574218559 /nfs/dbraw/zinc/21/85/59/574218559.db2.gz AGKFVHUFHZEJAU-CYBMUJFWSA-N 0 0 278.396 2.682 20 10 CFCDRN CCOc1ccc(CN[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000733332321 574223086 /nfs/dbraw/zinc/22/30/86/574223086.db2.gz ZDCGGQTYZIFOGE-LLVKDONJSA-N 0 0 295.379 2.611 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756354397 574228771 /nfs/dbraw/zinc/22/87/71/574228771.db2.gz AQLXAWGZIWSPBM-PSASIEDQSA-N 0 0 257.280 2.500 20 10 CFCDRN CCN(CC)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756355541 574228814 /nfs/dbraw/zinc/22/88/14/574228814.db2.gz QZRCQUOQOKABBA-SNVBAGLBSA-N 0 0 272.339 2.663 20 10 CFCDRN COCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000733418232 574230971 /nfs/dbraw/zinc/23/09/71/574230971.db2.gz NGZMYRHHDDUAGU-UHFFFAOYSA-N 0 0 294.376 2.689 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756383252 574231905 /nfs/dbraw/zinc/23/19/05/574231905.db2.gz XBVXRAODWZJWSD-UFBFGSQYSA-N 0 0 283.274 2.648 20 10 CFCDRN C[C@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756390246 574232583 /nfs/dbraw/zinc/23/25/83/574232583.db2.gz TYVWGCAKIMPLBZ-RDJZCZTQSA-N 0 0 289.375 2.745 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1 ZINC000756391119 574232950 /nfs/dbraw/zinc/23/29/50/574232950.db2.gz XYQRRIMJMRUVIR-WBVHZDCISA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@H]1CCCC[C@H]1NC(=S)NCc1ccccc1O ZINC000748159284 574233526 /nfs/dbraw/zinc/23/35/26/574233526.db2.gz VHHBEEGPTHNDQG-WCQYABFASA-N 0 0 278.421 2.935 20 10 CFCDRN COCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756424641 574236072 /nfs/dbraw/zinc/23/60/72/574236072.db2.gz VHDOTKCPBCYRNU-VIFPVBQESA-N 0 0 259.296 2.748 20 10 CFCDRN Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000756445040 574238263 /nfs/dbraw/zinc/23/82/63/574238263.db2.gz XQZURVATETXTEC-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN O=C(OCc1cccc2c1OCCO2)C1=CC(=O)CS1 ZINC000733497356 574242319 /nfs/dbraw/zinc/24/23/19/574242319.db2.gz UKWVQIGLCVTXMF-UHFFFAOYSA-N 0 0 292.312 2.582 20 10 CFCDRN C[C@H](C(=O)NCc1ccccc1O)n1cnc2ccccc21 ZINC000748345303 574247713 /nfs/dbraw/zinc/24/77/13/574247713.db2.gz DSVNHAYUZCTJTQ-GFCCVEGCSA-N 0 0 295.342 2.619 20 10 CFCDRN COc1cccc(CCC(=O)NCc2ccccc2O)c1 ZINC000748349285 574248066 /nfs/dbraw/zinc/24/80/66/574248066.db2.gz FCQOPGPTAYMMKT-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN CCc1ccc(OCC(=O)NCc2ccccc2O)cc1 ZINC000748353900 574248941 /nfs/dbraw/zinc/24/89/41/574248941.db2.gz QVHCKHLWLPPDEN-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000748353620 574248978 /nfs/dbraw/zinc/24/89/78/574248978.db2.gz BWFVXNGRXXZTKL-LLVKDONJSA-N 0 0 289.306 2.615 20 10 CFCDRN CN1CCN(C(=O)C2=CC(=O)CS2)C2(CCCCC2)C1 ZINC000748380065 574249970 /nfs/dbraw/zinc/24/99/70/574249970.db2.gz SPNBYEADFCNWGD-UHFFFAOYSA-N 0 0 294.420 2.544 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756577637 574250036 /nfs/dbraw/zinc/25/00/36/574250036.db2.gz ZNVGOHMBGMRKIH-LKFCYVNXSA-N 0 0 271.307 2.748 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756603316 574251492 /nfs/dbraw/zinc/25/14/92/574251492.db2.gz BCHJEDHORYFAPQ-TVQRCGJNSA-N 0 0 297.301 2.956 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756611540 574251909 /nfs/dbraw/zinc/25/19/09/574251909.db2.gz WDEHKVNLBWJBDT-ZANVPECISA-N 0 0 273.323 2.728 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756623191 574252447 /nfs/dbraw/zinc/25/24/47/574252447.db2.gz AXFOLJVRVPDNEN-QJPTWQEYSA-N 0 0 296.367 2.748 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1c(F)cccc1F ZINC000748438303 574252871 /nfs/dbraw/zinc/25/28/71/574252871.db2.gz HQBAGGZKCSHRME-UHFFFAOYSA-N 0 0 278.258 2.992 20 10 CFCDRN COc1ccc(NC(=O)NCc2ccccc2O)cc1F ZINC000748442761 574252938 /nfs/dbraw/zinc/25/29/38/574252938.db2.gz JHQWXXMIRCIQOF-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756628566 574253419 /nfs/dbraw/zinc/25/34/19/574253419.db2.gz WHIQSXJOEUFGHQ-NTZNESFSSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ccon2)c2c1c(F)ccc2O ZINC000756635502 574253970 /nfs/dbraw/zinc/25/39/70/574253970.db2.gz GBXJQIGDSLDTEM-KCJUWKMLSA-N 0 0 262.284 2.857 20 10 CFCDRN O=C(NCc1ccc(Cl)o1)NCc1ccccc1O ZINC000748462642 574254064 /nfs/dbraw/zinc/25/40/64/574254064.db2.gz GEVSJMWFSZTULY-UHFFFAOYSA-N 0 0 280.711 2.638 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756644804 574254823 /nfs/dbraw/zinc/25/48/23/574254823.db2.gz BZGWTQYPZWEYJZ-FTGAXOIBSA-N 0 0 296.361 2.804 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC=CC2)c1 ZINC000756646331 574255376 /nfs/dbraw/zinc/25/53/76/574255376.db2.gz NKNFLNPRGCRCKQ-SNVBAGLBSA-N 0 0 261.321 2.548 20 10 CFCDRN CCc1cnc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000756654684 574255677 /nfs/dbraw/zinc/25/56/77/574255677.db2.gz XKNYLRWWKNNIJK-UHFFFAOYSA-N 0 0 260.293 2.602 20 10 CFCDRN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756673449 574256905 /nfs/dbraw/zinc/25/69/05/574256905.db2.gz ZFXPLCSOYLRZMF-UWVGGRQHSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000740680160 574262036 /nfs/dbraw/zinc/26/20/36/574262036.db2.gz MDZMPZUWHWMGOB-CHWSQXEVSA-N 0 0 275.396 2.693 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756786009 574262800 /nfs/dbraw/zinc/26/28/00/574262800.db2.gz WLMBILTTXIBWKE-MNOVXSKESA-N 0 0 288.347 2.919 20 10 CFCDRN C[C@H]([NH2+]CCOC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756817718 574264978 /nfs/dbraw/zinc/26/49/78/574264978.db2.gz NDYWSBLZYOYUJS-JTQLQIEISA-N 0 0 282.340 2.766 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000740750186 574265585 /nfs/dbraw/zinc/26/55/85/574265585.db2.gz AHJAAQZLPZEMQV-BZNIZROVSA-N 0 0 297.354 2.918 20 10 CFCDRN O=[N+]([O-])c1ncccc1NCc1ccc(N2CC=CC2)cc1 ZINC000740870818 574271731 /nfs/dbraw/zinc/27/17/31/574271731.db2.gz ISAMKDSQQMOFPW-UHFFFAOYSA-N 0 0 296.330 2.978 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C2=COCC2)C2CC2)cc1 ZINC000734122002 574275674 /nfs/dbraw/zinc/27/56/74/574275674.db2.gz YAFIGWJINKKLAG-UHFFFAOYSA-N 0 0 286.375 2.548 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCSCC1 ZINC000734405826 574285400 /nfs/dbraw/zinc/28/54/00/574285400.db2.gz LZUTXQWKPKTAAI-UHFFFAOYSA-N 0 0 292.448 2.820 20 10 CFCDRN CC(C)C(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000734852032 574304759 /nfs/dbraw/zinc/30/47/59/574304759.db2.gz JIQMPXNAFCJCTE-UHFFFAOYSA-N 0 0 277.412 2.986 20 10 CFCDRN COc1ccc(CN[C@H](C)c2nc(C)no2)cc1C ZINC000725841771 574324863 /nfs/dbraw/zinc/32/48/63/574324863.db2.gz BMLXSRDQPADBNE-SNVBAGLBSA-N 0 0 261.325 2.546 20 10 CFCDRN Cc1nccc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000742408947 574328546 /nfs/dbraw/zinc/32/85/46/574328546.db2.gz IKSUWPCXGRCRNQ-UHFFFAOYSA-N 0 0 266.348 2.773 20 10 CFCDRN CCOC(=O)CCCCCOC(=O)C1=CC(=O)CS1 ZINC000735535655 574328815 /nfs/dbraw/zinc/32/88/15/574328815.db2.gz JYFRUCVHIDJDMM-UHFFFAOYSA-N 0 0 286.349 2.734 20 10 CFCDRN CN(C)c1nccc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000742419619 574328958 /nfs/dbraw/zinc/32/89/58/574328958.db2.gz KBTRRFOTYMIJAS-UHFFFAOYSA-N 0 0 298.390 2.739 20 10 CFCDRN CCO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475613 574331761 /nfs/dbraw/zinc/33/17/61/574331761.db2.gz QXCHUMJWFJBHBC-AWEZNQCLSA-N 0 0 290.407 2.718 20 10 CFCDRN C[C@H]1CCCC[C@H]1NC(=S)NCc1cccn1C ZINC000743061928 574352940 /nfs/dbraw/zinc/35/29/40/574352940.db2.gz RGUXNEQSERDQDZ-WCQYABFASA-N 0 0 265.426 2.568 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(n1)CCCC2 ZINC000750778611 574355452 /nfs/dbraw/zinc/35/54/52/574355452.db2.gz XGMSEZAGJZMYTJ-UHFFFAOYSA-N 0 0 296.370 2.938 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccccc2O)s1 ZINC000725895263 574356058 /nfs/dbraw/zinc/35/60/58/574356058.db2.gz BUFGCRYRRDZJJG-UHFFFAOYSA-N 0 0 261.346 2.621 20 10 CFCDRN CCOc1c(F)cccc1C(=O)NCc1ccccc1O ZINC000743327748 574358285 /nfs/dbraw/zinc/35/82/85/574358285.db2.gz PJMPJOMZLQEFTL-UHFFFAOYSA-N 0 0 289.306 2.860 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)c2ccc(C)o2)c1 ZINC000743409947 574363005 /nfs/dbraw/zinc/36/30/05/574363005.db2.gz FOVZHOUIVKNMOH-LLVKDONJSA-N 0 0 289.331 2.722 20 10 CFCDRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000743641974 574370041 /nfs/dbraw/zinc/37/00/41/574370041.db2.gz LICSAFGVSLICFC-DZGCQCFKSA-N 0 0 273.357 2.914 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]2CCC[C@@H]21 ZINC000743707412 574371097 /nfs/dbraw/zinc/37/10/97/574371097.db2.gz GMBAUAFBGSJBBT-KOLCDFICSA-N 0 0 251.351 2.858 20 10 CFCDRN COc1ccc(N(C)CCCSC)cc1OC ZINC000743841506 574373228 /nfs/dbraw/zinc/37/32/28/574373228.db2.gz YTVNRLYIRMMDFR-UHFFFAOYSA-N 0 0 255.383 2.893 20 10 CFCDRN Cc1ccc(C(=O)NCc2cc3ccccc3[nH]2)c(O)c1O ZINC000751533563 574378616 /nfs/dbraw/zinc/37/86/16/574378616.db2.gz AFXDTXURUZMQAW-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN CC(C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930368 574385355 /nfs/dbraw/zinc/38/53/55/574385355.db2.gz DHKBRGVAIAGJHA-UHFFFAOYSA-N 0 0 276.361 2.881 20 10 CFCDRN Fc1ccc(NC(=S)NCc2ncccc2F)c(F)c1 ZINC000752765717 574394818 /nfs/dbraw/zinc/39/48/18/574394818.db2.gz AYLCIWGHXZDGKV-UHFFFAOYSA-N 0 0 297.305 2.986 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC2CC(C)C2)c1 ZINC000753023028 574397675 /nfs/dbraw/zinc/39/76/75/574397675.db2.gz RSMMFPBVICDGTP-HSOILSAZSA-N 0 0 278.352 2.560 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)C2)c(O)c1O ZINC000753229931 574400462 /nfs/dbraw/zinc/40/04/62/574400462.db2.gz SJSDWZSRTMWXCX-LLVKDONJSA-N 0 0 277.364 2.914 20 10 CFCDRN CCON(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000753399511 574402015 /nfs/dbraw/zinc/40/20/15/574402015.db2.gz XMHJTOHHXKEWDB-UHFFFAOYSA-N 0 0 279.384 2.626 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N(C)C)cc1 ZINC000753570629 574404942 /nfs/dbraw/zinc/40/49/42/574404942.db2.gz UWHLRIYQMYGZBA-MRXNPFEDSA-N 0 0 290.407 2.574 20 10 CFCDRN O=C([O-])C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000821510836 598098337 /nfs/dbraw/zinc/09/83/37/598098337.db2.gz ASKRHXPNOZQHFT-UHFFFAOYSA-N 0 0 289.375 2.568 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000820980910 598107487 /nfs/dbraw/zinc/10/74/87/598107487.db2.gz ZHSCNXCJJFNHRV-UHFFFAOYSA-N 0 0 290.407 2.794 20 10 CFCDRN CN(C)c1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1 ZINC000213491703 598194133 /nfs/dbraw/zinc/19/41/33/598194133.db2.gz LKYZLGROCOMQEU-UHFFFAOYSA-N 0 0 284.359 2.741 20 10 CFCDRN Fc1cccc(Sc2nccs2)c1-c1nn[nH]n1 ZINC000737662708 598241238 /nfs/dbraw/zinc/24/12/38/598241238.db2.gz CZDLAKFHPPTFRD-UHFFFAOYSA-N 0 0 279.325 2.614 20 10 CFCDRN CC[C@@](C)(C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000322501825 620383443 /nfs/dbraw/zinc/38/34/43/620383443.db2.gz GHCREIDOBSZTCG-ZDUSSCGKSA-N 0 0 257.761 2.950 20 10 CFCDRN CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(C)ccc1O ZINC000828799582 601260797 /nfs/dbraw/zinc/26/07/97/601260797.db2.gz FLLDKZXTWSZJLP-UHFFFAOYSA-N 0 0 265.353 2.824 20 10 CFCDRN CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000900261498 620655754 /nfs/dbraw/zinc/65/57/54/620655754.db2.gz RZNTYDUEQHJDML-CJNGLKHVSA-N 0 0 292.423 2.556 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1C ZINC000830121287 603611906 /nfs/dbraw/zinc/61/19/06/603611906.db2.gz BENNQGCFAJRGLC-CQSZACIVSA-N 0 0 292.379 2.583 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(N(C)C)cc1 ZINC000827741320 604330198 /nfs/dbraw/zinc/33/01/98/604330198.db2.gz LNHSZFPDKLBCRB-LLVKDONJSA-N 0 0 288.347 2.895 20 10 CFCDRN COc1ccc(O)c(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000833733825 605520336 /nfs/dbraw/zinc/52/03/36/605520336.db2.gz RRHFWBBSICTVAN-CZUORRHYSA-N 0 0 293.363 2.524 20 10 CFCDRN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC000834162016 605586063 /nfs/dbraw/zinc/58/60/63/605586063.db2.gz MRLSQDPTDPCMDO-AGUYFDCRSA-N 0 0 290.363 2.545 20 10 CFCDRN Cc1ccc(C(=O)OCc2ccccc2F)c(O)c1O ZINC000110003547 634383307 /nfs/dbraw/zinc/38/33/07/634383307.db2.gz NYLYQEKQBMQOAA-UHFFFAOYSA-N 0 0 276.263 2.902 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000935946160 649964026 /nfs/dbraw/zinc/96/40/26/649964026.db2.gz ZKUWKPOKCROUJL-AGIUHOORSA-N 0 0 294.391 2.930 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@@H]1C(F)F ZINC000890759717 617837014 /nfs/dbraw/zinc/83/70/14/617837014.db2.gz PESXVOLVPAWWOX-YUMQZZPRSA-N 0 0 275.682 2.563 20 10 CFCDRN O=C(CCCC(=O)C1CC1)NCc1cccc(Cl)c1O ZINC000890760865 617838243 /nfs/dbraw/zinc/83/82/43/617838243.db2.gz BTOKZIJKOXOPPM-UHFFFAOYSA-N 0 0 295.766 2.811 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890761336 617839071 /nfs/dbraw/zinc/83/90/71/617839071.db2.gz OMVVGBAPPYJGIP-WCQYABFASA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(NC/C=C\Cl)NCc1ccc(N2CCCC2)cc1 ZINC000892005329 617910211 /nfs/dbraw/zinc/91/02/11/617910211.db2.gz SXESMCORAUWYHQ-BAQGIRSFSA-N 0 0 293.798 2.839 20 10 CFCDRN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccccc1C ZINC000160388606 618053964 /nfs/dbraw/zinc/05/39/64/618053964.db2.gz LLIMCLJHUUUXBO-UHFFFAOYSA-N 0 0 298.386 2.657 20 10 CFCDRN O=C(COc1ccc(N2CCCC2)cc1)NCC1CCC1 ZINC000178196728 617689029 /nfs/dbraw/zinc/68/90/29/617689029.db2.gz LSEAHBQSBXYCIV-UHFFFAOYSA-N 0 0 288.391 2.582 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CCCc2ccccc21 ZINC000254964225 617698824 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/nfs/dbraw/zinc/22/70/86/618227086.db2.gz IKLPXXPAISKDQH-UHFFFAOYSA-N 0 0 285.343 2.723 20 10 CFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000893951731 618250860 /nfs/dbraw/zinc/25/08/60/618250860.db2.gz JPZLHACIUSJICJ-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000893966909 618254495 /nfs/dbraw/zinc/25/44/95/618254495.db2.gz UNGLHTFSAOXPLW-JTQLQIEISA-N 0 0 293.317 2.773 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000893994444 618261877 /nfs/dbraw/zinc/26/18/77/618261877.db2.gz MDSGPADLOKYSBX-CYBMUJFWSA-N 0 0 293.317 2.704 20 10 CFCDRN COc1ccc(C[NH2+]Cc2ccccc2F)c(O)c1OC ZINC000892435159 618267907 /nfs/dbraw/zinc/26/79/07/618267907.db2.gz MHBBJRXCXSBJKI-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1F ZINC000179434628 618274625 /nfs/dbraw/zinc/27/46/25/618274625.db2.gz ZCYCWYVURZZWPC-UHFFFAOYSA-N 0 0 291.278 2.806 20 10 CFCDRN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(N)cc2)s1 ZINC000237189082 618274826 /nfs/dbraw/zinc/27/48/26/618274826.db2.gz RWUKINJKMJCFPV-SECBINFHSA-N 0 0 291.376 2.993 20 10 CFCDRN CSC1(C(=O)NCCCSc2nccs2)CC1 ZINC000190409684 618283645 /nfs/dbraw/zinc/28/36/45/618283645.db2.gz ROACMJTWNXTADM-UHFFFAOYSA-N 0 0 288.463 2.637 20 10 CFCDRN Cc1ccc(C(=O)OCCc2ccccc2)c(O)c1O ZINC000727004395 618288770 /nfs/dbraw/zinc/28/87/70/618288770.db2.gz UWFHJTHRMQEEGW-UHFFFAOYSA-N 0 0 272.300 2.806 20 10 CFCDRN Cc1ccc(C(=O)OCc2nc3ccccc3o2)c(O)c1O ZINC000727005795 618289089 /nfs/dbraw/zinc/28/90/89/618289089.db2.gz WXWYIAPXAHYCIC-UHFFFAOYSA-N 0 0 299.282 2.904 20 10 CFCDRN COc1ccc(N(C)Cc2cccnc2)cc1OC ZINC000727025421 618308249 /nfs/dbraw/zinc/30/82/49/618308249.db2.gz BBYPWVPTWQVAIT-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000894086085 618308298 /nfs/dbraw/zinc/30/82/98/618308298.db2.gz APQWAXWPUHNCJZ-LBPRGKRZSA-N 0 0 297.345 2.919 20 10 CFCDRN CC(C)=CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000189218434 618330753 /nfs/dbraw/zinc/33/07/53/618330753.db2.gz QMFKAWUCTGGPPA-UHFFFAOYSA-N 0 0 285.391 2.828 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000310526446 618339988 /nfs/dbraw/zinc/33/99/88/618339988.db2.gz OWTUXMYSUWMYKT-ZDUSSCGKSA-N 0 0 257.761 2.542 20 10 CFCDRN CO[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C ZINC000188298733 618342796 /nfs/dbraw/zinc/34/27/96/618342796.db2.gz LTRWLNNZKZURPF-YGRLFVJLSA-N 0 0 269.772 2.902 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(=O)[nH]c2ccccc21 ZINC000319181211 618366240 /nfs/dbraw/zinc/36/62/40/618366240.db2.gz KSJAEMSPLMKPBY-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN C[C@H](CO)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895137836 618366840 /nfs/dbraw/zinc/36/68/40/618366840.db2.gz YIFQQEGLHCUMRQ-SNVBAGLBSA-N 0 0 285.334 2.511 20 10 CFCDRN COc1ccc(N(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000895138848 618368864 /nfs/dbraw/zinc/36/88/64/618368864.db2.gz RFWPXPQJTFNKFZ-GJZGRUSLSA-N 0 0 295.354 2.765 20 10 CFCDRN Nc1ccc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1 ZINC000927767209 618421027 /nfs/dbraw/zinc/42/10/27/618421027.db2.gz BNXNKQPNVLQKML-BTTYYORXSA-N 0 0 258.365 2.711 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000776252644 618428011 /nfs/dbraw/zinc/42/80/11/618428011.db2.gz VEIXRWODINXALS-LDYMZIIASA-N 0 0 273.735 2.842 20 10 CFCDRN O=C(NCc1ccccc1O)C(=O)c1ccc(Cl)cc1 ZINC000727169656 618450170 /nfs/dbraw/zinc/45/01/70/618450170.db2.gz MRYDCZLNBTZELE-UHFFFAOYSA-N 0 0 289.718 2.545 20 10 CFCDRN Cc1cc(COc2ccc(N(C)C)cc2)c(C)nn1 ZINC000877881668 618472211 /nfs/dbraw/zinc/47/22/11/618472211.db2.gz VTGUKTAMBHXYDT-UHFFFAOYSA-N 0 0 257.337 2.738 20 10 CFCDRN CCC[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000066263970 618477261 /nfs/dbraw/zinc/47/72/61/618477261.db2.gz AGXDVPULWUXVDT-PCGIRMHASA-N 0 0 250.294 2.843 20 10 in-vitro CFCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841295941 618567617 /nfs/dbraw/zinc/56/76/17/618567617.db2.gz KHSBYVQFCZZUKW-LSDHHAIUSA-N 0 0 291.395 2.984 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC000895427855 618576751 /nfs/dbraw/zinc/57/67/51/618576751.db2.gz LDBLVDMQLPHLGB-UHFFFAOYSA-N 0 0 277.345 2.939 20 10 CFCDRN Oc1ccc(Br)cc1CN1CC[C@H]1C(F)F ZINC000895437974 618585610 /nfs/dbraw/zinc/58/56/10/618585610.db2.gz XBCZAADFELVDBA-VIFPVBQESA-N 0 0 292.123 2.994 20 10 CFCDRN CCOc1cccc(CN(C)Cc2ccns2)c1O ZINC000895453237 618589298 /nfs/dbraw/zinc/58/92/98/618589298.db2.gz GUEXJGSLMAODLS-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000236423458 618621871 /nfs/dbraw/zinc/62/18/71/618621871.db2.gz LOAMTLHKEUHQQV-ZDUSSCGKSA-N 0 0 281.327 2.751 20 10 CFCDRN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)on1 ZINC000924575510 618628491 /nfs/dbraw/zinc/62/84/91/618628491.db2.gz WLJDDAJDBNJVPR-LLVKDONJSA-N 0 0 275.352 2.600 20 10 CFCDRN Cc1nc(NCc2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000162471021 618663519 /nfs/dbraw/zinc/66/35/19/618663519.db2.gz RPHKFVMHJQZLSZ-UHFFFAOYSA-N 0 0 285.395 2.726 20 10 CFCDRN Cc1csc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000182317091 625283433 /nfs/dbraw/zinc/28/34/33/625283433.db2.gz CUTOCGLKOGWKGK-VIFPVBQESA-N 0 0 292.360 2.662 20 10 CFCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)cn1 ZINC000311740323 618721675 /nfs/dbraw/zinc/72/16/75/618721675.db2.gz SPTHQFYRCAYDJV-GFCCVEGCSA-N 0 0 256.305 2.895 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1C ZINC000892825115 618752263 /nfs/dbraw/zinc/75/22/63/618752263.db2.gz RUKUVPLNCSGACL-KTKRTIGZSA-N 0 0 269.348 2.795 20 10 CFCDRN CC[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000182364939 625290240 /nfs/dbraw/zinc/29/02/40/625290240.db2.gz PUSSKSFPEFENRE-OAHLLOKOSA-N 0 0 286.375 2.595 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840895137 618769476 /nfs/dbraw/zinc/76/94/76/618769476.db2.gz XPAPSNWVXNDBNZ-TUAOUCFPSA-N 0 0 294.351 2.502 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCC(C)(C)C2CC2)c1 ZINC000892984484 618790833 /nfs/dbraw/zinc/79/08/33/618790833.db2.gz VYEYEXLJJBUNDY-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC3(C)C)ccc21 ZINC000119636383 618805398 /nfs/dbraw/zinc/80/53/98/618805398.db2.gz OYTGWVMCEJDRNF-AWEZNQCLSA-N 0 0 272.392 2.731 20 10 CFCDRN CC(C)n1ncnc1COc1ccc(N(C)C)cc1 ZINC000853692891 618857519 /nfs/dbraw/zinc/85/75/19/618857519.db2.gz LLJRXJIXCKUDJT-UHFFFAOYSA-N 0 0 260.341 2.504 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cccs1 ZINC000180599138 618865245 /nfs/dbraw/zinc/86/52/45/618865245.db2.gz WMMFRFOJELMCCJ-GQCTYLIASA-N 0 0 289.356 2.531 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000182386311 618894840 /nfs/dbraw/zinc/89/48/40/618894840.db2.gz NFLYOMQETKXAQM-AWEZNQCLSA-N 0 0 284.407 2.871 20 10 CFCDRN COCc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000840918429 618932577 /nfs/dbraw/zinc/93/25/77/618932577.db2.gz STKWRNPZNDGFIZ-UHFFFAOYSA-N 0 0 297.376 2.738 20 10 CFCDRN CCc1ccnc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000181700516 618973145 /nfs/dbraw/zinc/97/31/45/618973145.db2.gz PRJARRGINVQQSJ-UHFFFAOYSA-N 0 0 283.375 2.640 20 10 CFCDRN CSC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000077800489 619029362 /nfs/dbraw/zinc/02/93/62/619029362.db2.gz HJJKSJDKQXKNHJ-GFCCVEGCSA-N 0 0 295.452 2.612 20 10 CFCDRN C[C@@]12CCN(C(=O)C3=CC(=O)CS3)C[C@@H]1C2(F)F ZINC000832401181 625319822 /nfs/dbraw/zinc/31/98/22/625319822.db2.gz RYXYEIZJCJNKCG-GXSJLCMTSA-N 0 0 273.304 2.571 20 10 CFCDRN COc1ccccc1CCC(=O)N(C)Cc1ccccc1O ZINC000053914652 619077431 /nfs/dbraw/zinc/07/74/31/619077431.db2.gz CPWXSVBDKBLJLR-UHFFFAOYSA-N 0 0 299.370 2.992 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000840949681 619119941 /nfs/dbraw/zinc/11/99/41/619119941.db2.gz BGALMPLFZMZIBO-OAHLLOKOSA-N 0 0 290.407 2.587 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@H](CF)C2)cc1F ZINC000840954902 619133261 /nfs/dbraw/zinc/13/32/61/619133261.db2.gz MXCZXWYDBSDVIB-CQSZACIVSA-N 0 0 298.377 2.842 20 10 CFCDRN CCc1cc(NCc2ccc(OC)cc2O)nc(CC)n1 ZINC000893638749 619136553 /nfs/dbraw/zinc/13/65/53/619136553.db2.gz QOUPKQNHGVCXSC-UHFFFAOYSA-N 0 0 287.363 2.928 20 10 CFCDRN Cc1cc(F)c(C(=O)NCc2ccc(O)c(O)c2)cc1F ZINC000182528543 625321532 /nfs/dbraw/zinc/32/15/32/625321532.db2.gz NJKNMXDSPGNHQM-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OCC1CC1 ZINC000840960657 619156873 /nfs/dbraw/zinc/15/68/73/619156873.db2.gz RSSXONCSCSHTLZ-UHFFFAOYSA-N 0 0 294.351 2.595 20 10 CFCDRN Cc1cnc(CNCc2cc(Br)ccc2O)o1 ZINC000235954133 619193955 /nfs/dbraw/zinc/19/39/55/619193955.db2.gz NHQJKWOQWHQWTC-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN CCOC(=O)CCCN(CC)c1ccc(OC)cc1 ZINC000726597781 619253063 /nfs/dbraw/zinc/25/30/63/619253063.db2.gz ZRPWZQGFGYXLTK-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN COc1ccc(N(C)Cc2ocnc2C)cc1OC ZINC000894461860 619392478 /nfs/dbraw/zinc/39/24/78/619392478.db2.gz KRZZNOICSBAICJ-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597107 619428457 /nfs/dbraw/zinc/42/84/57/619428457.db2.gz VJGCKVOVYOXPLD-GXFFZTMASA-N 0 0 285.334 2.796 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000894689762 619444376 /nfs/dbraw/zinc/44/43/76/619444376.db2.gz HXIKROFMUVVVLU-KGLIPLIRSA-N 0 0 283.318 2.814 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000894697914 619446778 /nfs/dbraw/zinc/44/67/78/619446778.db2.gz QDKZQQRTCFBBOE-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)nn1C ZINC000841866119 619483931 /nfs/dbraw/zinc/48/39/31/619483931.db2.gz FDRXLOJASOORKN-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCCC3CC3)ccc21 ZINC000075460060 619503324 /nfs/dbraw/zinc/50/33/24/619503324.db2.gz XSFDBNBTMAQWJT-UHFFFAOYSA-N 0 0 287.407 2.668 20 10 CFCDRN CCN(C/C=C(\C)C(=O)OC)c1ccc(OC)cc1 ZINC000748816740 619506717 /nfs/dbraw/zinc/50/67/17/619506717.db2.gz WFLHXAPWRVYSNQ-ZRDIBKRKSA-N 0 0 263.337 2.641 20 10 CFCDRN COCCC1(C)C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894980443 619521327 /nfs/dbraw/zinc/52/13/27/619521327.db2.gz PMHBBRXKOVQISJ-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN CCOCc1nc(C)cc(N2Cc3cccc(O)c3C2)n1 ZINC000894991142 619521983 /nfs/dbraw/zinc/52/19/83/619521983.db2.gz MDCLUAGQPGESIX-UHFFFAOYSA-N 0 0 285.347 2.547 20 10 CFCDRN COCc1nccc(N[C@H](C)c2ccccc2O)n1 ZINC000895030270 619531547 /nfs/dbraw/zinc/53/15/47/619531547.db2.gz VLYLGTGKLRYQRN-SNVBAGLBSA-N 0 0 259.309 2.502 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895571915 619556623 /nfs/dbraw/zinc/55/66/23/619556623.db2.gz BWSBKALSOMWRMP-QMMMGPOBSA-N 0 0 261.699 2.976 20 10 CFCDRN CCOC(=O)C[C@](C)(NC(=O)C1=CC(=O)CS1)C(C)C ZINC000832460337 625357246 /nfs/dbraw/zinc/35/72/46/625357246.db2.gz GCGFWONCICEKES-AWEZNQCLSA-N 0 0 299.392 2.551 20 10 CFCDRN CC(C)OC1CN(Cc2c(O)cccc2Cl)C1 ZINC000895953415 619643682 /nfs/dbraw/zinc/64/36/82/619643682.db2.gz XQJYKHSLBKKPOQ-UHFFFAOYSA-N 0 0 255.745 2.655 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1Cl ZINC000896377327 619725632 /nfs/dbraw/zinc/72/56/32/619725632.db2.gz HSSUFPGWQQNBNK-LLVKDONJSA-N 0 0 297.782 2.549 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C=CCC1 ZINC000896418208 619733377 /nfs/dbraw/zinc/73/33/77/619733377.db2.gz KYPCQAZVRLPHMB-SNVBAGLBSA-N 0 0 280.755 2.811 20 10 CFCDRN CC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1 ZINC000179052298 619745388 /nfs/dbraw/zinc/74/53/88/619745388.db2.gz AWUMBEWXYIIYFQ-UHFFFAOYSA-N 0 0 269.348 2.962 20 10 CFCDRN COc1cc(C)cc(CN[C@H](c2ncccn2)C2CC2)c1O ZINC000896596838 619771924 /nfs/dbraw/zinc/77/19/24/619771924.db2.gz LCRYTXYKWGOKAP-HNNXBMFYSA-N 0 0 299.374 2.740 20 10 CFCDRN COC(=O)CC1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896642921 619777829 /nfs/dbraw/zinc/77/78/29/619777829.db2.gz SHVQPGOUJMAMKN-UHFFFAOYSA-N 0 0 295.354 2.743 20 10 CFCDRN CC[C@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896636215 619779443 /nfs/dbraw/zinc/77/94/43/619779443.db2.gz AOEZAGPMZPOESJ-NEPJUHHUSA-N 0 0 267.344 2.826 20 10 CFCDRN COc1ccc(OC)c(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896639124 619780859 /nfs/dbraw/zinc/78/08/59/619780859.db2.gz AQSUWPNTAUVNGW-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN CO[C@H](C[NH2+]Cc1c([O-])cccc1F)Cc1ccccc1 ZINC000896638377 619781049 /nfs/dbraw/zinc/78/10/49/619781049.db2.gz PJCLJNUEQSKVIX-AWEZNQCLSA-N 0 0 289.350 2.879 20 10 CFCDRN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896639475 619781176 /nfs/dbraw/zinc/78/11/76/619781176.db2.gz VECCTDCXQONFPR-UWVGGRQHSA-N 0 0 255.358 2.905 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C12CCC2 ZINC000896640199 619781768 /nfs/dbraw/zinc/78/17/68/619781768.db2.gz GQZBSDWHUORPFI-UONOGXRCSA-N 0 0 265.328 2.579 20 10 CFCDRN COc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1OC ZINC000896641848 619782252 /nfs/dbraw/zinc/78/22/52/619782252.db2.gz UFLBHNASANOGIH-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN O=C(N[C@@H]1CCSC1)c1cc2cc(O)c(O)cc2s1 ZINC000896699703 619789775 /nfs/dbraw/zinc/78/97/75/619789775.db2.gz GAVDLGQHYPDTAC-MRVPVSSYSA-N 0 0 295.385 2.548 20 10 CFCDRN Oc1ccccc1CN1CCn2nc(C(F)(F)F)cc2C1 ZINC000896942404 619901619 /nfs/dbraw/zinc/90/16/19/619901619.db2.gz YWCLIYCZYAZWAU-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000896972980 619908365 /nfs/dbraw/zinc/90/83/65/619908365.db2.gz LQURLBTXSZLXDD-UHFFFAOYSA-N 0 0 274.364 2.854 20 10 CFCDRN CS[C@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897168448 619943602 /nfs/dbraw/zinc/94/36/02/619943602.db2.gz MIBQDZIAFJYVJF-SSDOTTSWSA-N 0 0 297.401 2.794 20 10 CFCDRN CCO/C=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347755 619953985 /nfs/dbraw/zinc/95/39/85/619953985.db2.gz XJUFNTPNGXFTQE-HBWSCVEGSA-N 0 0 290.407 2.658 20 10 CFCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC000928707662 619996289 /nfs/dbraw/zinc/99/62/89/619996289.db2.gz ABQFBJYUYUEMNY-SSDOTTSWSA-N 0 0 279.233 2.736 20 10 CFCDRN CCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728984435 620048272 /nfs/dbraw/zinc/04/82/72/620048272.db2.gz PTIHPSZUCCFATG-JTQLQIEISA-N 0 0 251.326 2.768 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(C)COC1 ZINC000862477534 620114803 /nfs/dbraw/zinc/11/48/03/620114803.db2.gz LWBMAMZVWNRGPR-UHFFFAOYSA-N 0 0 273.735 2.653 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC(F)(F)CC1 ZINC000862714054 620124542 /nfs/dbraw/zinc/12/45/42/620124542.db2.gz FDYDWLQKIKWEMC-UHFFFAOYSA-N 0 0 261.293 2.715 20 10 CFCDRN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999845 620136130 /nfs/dbraw/zinc/13/61/30/620136130.db2.gz LKDFCLHJQMKSBI-GFCCVEGCSA-N 0 0 291.395 2.540 20 10 CFCDRN CC(C)(C)OC(=O)CCCOC(=O)C1=CC(=O)CS1 ZINC000785316725 620212789 /nfs/dbraw/zinc/21/27/89/620212789.db2.gz MWELEEPDWXTITH-UHFFFAOYSA-N 0 0 286.349 2.732 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000263028974 620228122 /nfs/dbraw/zinc/22/81/22/620228122.db2.gz GRBICAAEIBUUKK-UHFFFAOYSA-N 0 0 277.364 2.602 20 10 CFCDRN c1csc(SC[C@H]2CC3(CO2)CCOCC3)n1 ZINC000865352445 620240233 /nfs/dbraw/zinc/24/02/33/620240233.db2.gz MESXGOJZOQEJCO-SNVBAGLBSA-N 0 0 271.407 2.821 20 10 CFCDRN C[C@]1(C[NH3+])CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000311014287 620243378 /nfs/dbraw/zinc/24/33/78/620243378.db2.gz MMOIXFYMGYQSKY-CYBMUJFWSA-N 0 0 289.206 2.870 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)CO1 ZINC000897682896 620271447 /nfs/dbraw/zinc/27/14/47/620271447.db2.gz BDTKVBOPZILXEG-BBRMVZONSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(NC1(C(F)F)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897688111 620272932 /nfs/dbraw/zinc/27/29/32/620272932.db2.gz KVRTZEXHTCKFCW-UHFFFAOYSA-N 0 0 299.298 2.840 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000897954529 620310454 /nfs/dbraw/zinc/31/04/54/620310454.db2.gz GQZYSOPRHWPALH-MVWJERBFSA-N 0 0 292.335 2.587 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000898219075 620347125 /nfs/dbraw/zinc/34/71/25/620347125.db2.gz UHBHQFKZYJJAEW-LLVKDONJSA-N 0 0 255.745 2.704 20 10 CFCDRN C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898218188 620347148 /nfs/dbraw/zinc/34/71/48/620347148.db2.gz AFAUHNJICRENAM-CMPLNLGQSA-N 0 0 296.798 2.583 20 10 CFCDRN C[C@H](O)c1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898218223 620347268 /nfs/dbraw/zinc/34/72/68/620347268.db2.gz BAFFFBFYGMBJEI-QMMMGPOBSA-N 0 0 298.795 2.845 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@H](O)[C@@H](F)C2)cc1F ZINC000898192451 620351201 /nfs/dbraw/zinc/35/12/01/620351201.db2.gz JNBIUSMLRSSOFU-HOCLYGCPSA-N 0 0 298.377 2.577 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1O ZINC000898257214 620365335 /nfs/dbraw/zinc/36/53/35/620365335.db2.gz PVXRXFRHHKGDHD-AUZPSNTRSA-N 0 0 274.364 2.941 20 10 CFCDRN CC(C)(C)c1coc(NC(=O)c2cccc(O)c2O)n1 ZINC000898302135 620368140 /nfs/dbraw/zinc/36/81/40/620368140.db2.gz OYGDNLDBXDSBNJ-UHFFFAOYSA-N 0 0 276.292 2.636 20 10 CFCDRN CC(C)CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057782 620422917 /nfs/dbraw/zinc/42/29/17/620422917.db2.gz JYWXNSQZXKJJHU-GFCCVEGCSA-N 0 0 291.395 2.538 20 10 CFCDRN Cc1cc(F)ncc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000899260437 620538471 /nfs/dbraw/zinc/53/84/71/620538471.db2.gz GZJUJHHVYAEANY-YHYXMXQVSA-N 0 0 294.376 2.893 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnc(F)c(C)c2)SC1=S ZINC000899332510 620546563 /nfs/dbraw/zinc/54/65/63/620546563.db2.gz IEJJEPHMEPVBHW-WEVVVXLNSA-N 0 0 282.365 2.750 20 10 CFCDRN CC(C)Cc1ccc(C=C2SC(=S)NC2=O)cn1 ZINC000899341077 620546801 /nfs/dbraw/zinc/54/68/01/620546801.db2.gz SMKGYINPLJURCI-WDZFZDKYSA-N 0 0 278.402 2.769 20 10 CFCDRN CCn1cnc(/C=C2\c3cc(C)ccc3N(C)C2=O)c1 ZINC000899377846 620555596 /nfs/dbraw/zinc/55/55/96/620555596.db2.gz HRGZXZPWCGPYKN-RIYZIHGNSA-N 0 0 267.332 2.728 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CCCc3cccc(F)c32)c1 ZINC000901838812 620925758 /nfs/dbraw/zinc/92/57/58/620925758.db2.gz DYQFBPGEHZBKOE-BQYQJAHWSA-N 0 0 285.322 2.552 20 10 CFCDRN CCOc1ccc(CNc2cc(C)nc(C)n2)c(O)c1 ZINC000902169125 620992747 /nfs/dbraw/zinc/99/27/47/620992747.db2.gz MJCGXASYRNMWTI-UHFFFAOYSA-N 0 0 273.336 2.810 20 10 CFCDRN CCN(CC)c1ccc(CNc2cccn(C)c2=O)cc1 ZINC000902213027 620994374 /nfs/dbraw/zinc/99/43/74/620994374.db2.gz LGJLVBTWGJUMBM-UHFFFAOYSA-N 0 0 285.391 2.844 20 10 CFCDRN Cn1c2ccc(OC[C@H]3CNC(=O)C3)cc2c2c1CCCC2 ZINC000902460437 621096247 /nfs/dbraw/zinc/09/62/47/621096247.db2.gz VOKRKNRHMFWGNP-GFCCVEGCSA-N 0 0 298.386 2.572 20 10 CFCDRN C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000902482386 621109945 /nfs/dbraw/zinc/10/99/45/621109945.db2.gz KPFUMGNMHHLAPN-JQWIXIFHSA-N 0 0 284.350 2.853 20 10 CFCDRN Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC000902691013 621152338 /nfs/dbraw/zinc/15/23/38/621152338.db2.gz CJYGWLMKCZOMIR-AATRIKPKSA-N 0 0 299.349 2.860 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903263627 621303811 /nfs/dbraw/zinc/30/38/11/621303811.db2.gz BCGGUGWTYJDBFB-PKPZWWHKSA-N 0 0 265.328 2.749 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000903274128 621310088 /nfs/dbraw/zinc/31/00/88/621310088.db2.gz IPWLAUOZHMWOKT-CQSZACIVSA-N 0 0 295.333 2.938 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cccc(Cl)c1[O-] ZINC000903296378 621313335 /nfs/dbraw/zinc/31/33/35/621313335.db2.gz HLAVYNNOVKVYPW-MGPQQGTHSA-N 0 0 299.798 2.890 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000903299394 621314260 /nfs/dbraw/zinc/31/42/60/621314260.db2.gz AUTDBFNIYKGMSS-OPQQBVKSSA-N 0 0 268.788 2.789 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000903299395 621314669 /nfs/dbraw/zinc/31/46/69/621314669.db2.gz AUTDBFNIYKGMSS-OUJBWJOFSA-N 0 0 268.788 2.789 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903436112 621374078 /nfs/dbraw/zinc/37/40/78/621374078.db2.gz GXLKRTLXZPUCNB-REAQECSSSA-N 0 0 283.318 2.746 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1c([O-])cccc1F ZINC000903439452 621375763 /nfs/dbraw/zinc/37/57/63/621375763.db2.gz FKARNDKTCHBTGK-GAFUQQFSSA-N 0 0 265.328 2.607 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccs1 ZINC000183426132 625488552 /nfs/dbraw/zinc/48/85/52/625488552.db2.gz XJASAFHRMMNRTD-VIFPVBQESA-N 0 0 277.345 2.520 20 10 CFCDRN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000904462557 621597588 /nfs/dbraw/zinc/59/75/88/621597588.db2.gz VZYWJIIYJHRFSG-HUUCEWRRSA-N 0 0 288.778 2.760 20 10 CFCDRN CSc1cc(C(=O)NCCc2ccc(N)cc2)c(C)o1 ZINC000904925245 621675211 /nfs/dbraw/zinc/67/52/11/621675211.db2.gz FCMPXJAKKSQBCE-UHFFFAOYSA-N 0 0 290.388 2.865 20 10 CFCDRN OC1CCN(c2ccc(/C=C\c3ccncn3)cc2)CC1 ZINC000905075163 621698510 /nfs/dbraw/zinc/69/85/10/621698510.db2.gz SAQCZHTZDUTCKZ-RJRFIUFISA-N 0 0 281.359 2.608 20 10 CFCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905417669 621764001 /nfs/dbraw/zinc/76/40/01/621764001.db2.gz CLEVBSZCQQHJDL-MUWHJKNJSA-N 0 0 281.262 2.789 20 10 CFCDRN C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O ZINC000183648575 625525742 /nfs/dbraw/zinc/52/57/42/625525742.db2.gz HVWYTVCBHABWKH-ZDUSSCGKSA-N 0 0 299.374 2.797 20 10 CFCDRN C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1O ZINC000183662105 625526073 /nfs/dbraw/zinc/52/60/73/625526073.db2.gz ISZIDAOFANLAOW-NSHDSACASA-N 0 0 298.342 2.921 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CC(C2CCCCC2)C1 ZINC000832908943 625537788 /nfs/dbraw/zinc/53/77/88/625537788.db2.gz TTXRXXBGMPZKRH-UHFFFAOYSA-N 0 0 293.338 2.889 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cnccn1 ZINC000906994052 622074220 /nfs/dbraw/zinc/07/42/20/622074220.db2.gz OGCRSGJIGBPVBX-ZDUSSCGKSA-N 0 0 299.374 2.725 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2ccccc2O)c(C)n1 ZINC000907057841 622081298 /nfs/dbraw/zinc/08/12/98/622081298.db2.gz ZNUMPNJGYAUHBE-UHFFFAOYSA-N 0 0 270.332 2.642 20 10 CFCDRN COC(=O)COc1ccc(N(C)[C@H]2C=CCCC2)cc1 ZINC000183793615 625541825 /nfs/dbraw/zinc/54/18/25/625541825.db2.gz AKLJNEDNUDJAJP-ZDUSSCGKSA-N 0 0 275.348 2.783 20 10 CFCDRN CO[C@@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000155411343 622210280 /nfs/dbraw/zinc/21/02/80/622210280.db2.gz WMGWMKABIHIZMP-LBPRGKRZSA-N 0 0 288.347 2.681 20 10 CFCDRN C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)C[C@@H](C)C1 ZINC000910949983 622488693 /nfs/dbraw/zinc/48/86/93/622488693.db2.gz RKQALCLZPMOBJA-PJXYFTJBSA-N 0 0 277.364 2.786 20 10 CFCDRN O=C(CCCc1cccs1)NCc1ccc(O)cc1O ZINC000910958386 622489692 /nfs/dbraw/zinc/48/96/92/622489692.db2.gz RNCYYDLCRWABEF-UHFFFAOYSA-N 0 0 291.372 2.798 20 10 CFCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910957066 622489869 /nfs/dbraw/zinc/48/98/69/622489869.db2.gz OPUDRNCZNNUFQH-WBMJQRKESA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2ccccc2C1 ZINC000910943893 622491205 /nfs/dbraw/zinc/49/12/05/622491205.db2.gz PWNZXNWQKKAKGA-CQSZACIVSA-N 0 0 297.354 2.519 20 10 CFCDRN CC(C)c1scnc1C(=O)NCc1ccc(O)cc1O ZINC000910943715 622491249 /nfs/dbraw/zinc/49/12/49/622491249.db2.gz GBJADRWBCVPLBH-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN C/C(=C/C(=O)NCc1ccc(O)cc1O)C(C)(C)C ZINC000910944653 622491766 /nfs/dbraw/zinc/49/17/66/622491766.db2.gz WCPJCRRJMXRVHK-YFHOEESVSA-N 0 0 263.337 2.706 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCC1(F)F ZINC000910944552 622491848 /nfs/dbraw/zinc/49/18/48/622491848.db2.gz OAKBUXZOPYYAJZ-NSHDSACASA-N 0 0 285.290 2.540 20 10 CFCDRN Nc1ccc(NC(=O)[C@H](O)C2CCCCCCC2)cc1 ZINC000911661871 622532074 /nfs/dbraw/zinc/53/20/74/622532074.db2.gz YYTOFLHSYMSKJQ-OAHLLOKOSA-N 0 0 276.380 2.929 20 10 CFCDRN Cc1ccc(C(=O)NCC2=CCCCC2)c(O)c1O ZINC000833789808 625578553 /nfs/dbraw/zinc/57/85/53/625578553.db2.gz FDOCOHCSSMYSAL-UHFFFAOYSA-N 0 0 261.321 2.636 20 10 CFCDRN CSCCCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820115562 622612717 /nfs/dbraw/zinc/61/27/17/622612717.db2.gz IROHGXKMKMBIHU-UHFFFAOYSA-N 0 0 294.380 2.722 20 10 CFCDRN CC1(C)[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000820289883 622643420 /nfs/dbraw/zinc/64/34/20/622643420.db2.gz UVYDITKAZDUWLB-TXEJJXNPSA-N 0 0 286.335 2.577 20 10 CFCDRN CCN(C(=O)c1ccnc2c1CCN2)c1cccc(C)c1 ZINC000912243413 622671470 /nfs/dbraw/zinc/67/14/70/622671470.db2.gz FJUKXLCUXUYXCJ-UHFFFAOYSA-N 0 0 281.359 2.564 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(/C)Cl)C2)cc1 ZINC000912292689 622677379 /nfs/dbraw/zinc/67/73/79/622677379.db2.gz ORPTVLGGYVPWME-MMRAYRKESA-N 0 0 294.782 2.533 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000150731479 622718527 /nfs/dbraw/zinc/71/85/27/622718527.db2.gz NARMJGHASGOXFD-ZDUSSCGKSA-N 0 0 278.396 2.682 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CO)CCC1 ZINC000184365297 625593522 /nfs/dbraw/zinc/59/35/22/625593522.db2.gz BWQQZUOAUPWSPN-UHFFFAOYSA-N 0 0 290.190 2.951 20 10 CFCDRN COc1ccc2c(c1)CCN2C[C@@](C)(OC)C1CC1 ZINC000820851681 622774887 /nfs/dbraw/zinc/77/48/87/622774887.db2.gz QFFMTHCSDDIWTG-MRXNPFEDSA-N 0 0 261.365 2.873 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@H]2C(F)(F)F)c1O ZINC000821269092 622881602 /nfs/dbraw/zinc/88/16/02/622881602.db2.gz CVQMAVQEFXEYSB-NSHDSACASA-N 0 0 291.244 2.871 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2=CCCC2)cc1F ZINC000151325665 622894754 /nfs/dbraw/zinc/89/47/54/622894754.db2.gz ITIORNDWYCIXJI-UHFFFAOYSA-N 0 0 262.328 2.618 20 10 CFCDRN Cc1cc(C)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000045025051 622962153 /nfs/dbraw/zinc/96/21/53/622962153.db2.gz BTTHYTLMBMWZAO-UHFFFAOYSA-N 0 0 270.380 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cncs1 ZINC000164725734 622965805 /nfs/dbraw/zinc/96/58/05/622965805.db2.gz STPVFFDVMRYLET-UHFFFAOYSA-N 0 0 254.742 2.792 20 10 CFCDRN CC(C)=C(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000821806396 622980634 /nfs/dbraw/zinc/98/06/34/622980634.db2.gz BIAVAKKONCTQJQ-GFCCVEGCSA-N 0 0 277.364 2.891 20 10 CFCDRN CN(C(=O)CC1CCSCC1)c1ccc(N)cc1 ZINC000157532161 623038913 /nfs/dbraw/zinc/03/89/13/623038913.db2.gz MJIZXTPBGHXWAK-UHFFFAOYSA-N 0 0 264.394 2.765 20 10 CFCDRN CN1CCCc2cc(CNC(=O)Nc3cccnc3)ccc21 ZINC000058516833 623050971 /nfs/dbraw/zinc/05/09/71/623050971.db2.gz NOZOKZJZJNJXFD-UHFFFAOYSA-N 0 0 296.374 2.786 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000157749141 623056315 /nfs/dbraw/zinc/05/63/15/623056315.db2.gz AQBWSYMNYJANGV-GVXVVHGQSA-N 0 0 266.360 2.665 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc3c([nH]2)CCCC3)cc1 ZINC000822227004 623059905 /nfs/dbraw/zinc/05/99/05/623059905.db2.gz QXVANSCJEJGTFW-UHFFFAOYSA-N 0 0 297.402 2.890 20 10 CFCDRN CCCCC[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265260 623066395 /nfs/dbraw/zinc/06/63/95/623066395.db2.gz LUWUCMHBQWCJIV-MRXNPFEDSA-N 0 0 292.423 2.652 20 10 CFCDRN CCC[C@@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000822611995 623135828 /nfs/dbraw/zinc/13/58/28/623135828.db2.gz JRJXXGIAJMYPQD-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN CC1=CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822640920 623140702 /nfs/dbraw/zinc/14/07/02/623140702.db2.gz NFQFFCYSOAWIKH-UHFFFAOYSA-N 0 0 272.308 2.641 20 10 CFCDRN Nc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 ZINC000169820153 623148042 /nfs/dbraw/zinc/14/80/42/623148042.db2.gz ZKZSAUQTWABRKH-UHFFFAOYSA-N 0 0 261.712 2.757 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CC3)cc1 ZINC000822717821 623159468 /nfs/dbraw/zinc/15/94/68/623159468.db2.gz PLKWOANURHRBCR-HNNXBMFYSA-N 0 0 287.407 2.885 20 10 CFCDRN Cc1cc(F)cc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000184618569 625626213 /nfs/dbraw/zinc/62/62/13/625626213.db2.gz LQURKTPZIMFJLD-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC000822964134 623210839 /nfs/dbraw/zinc/21/08/39/623210839.db2.gz POXSAQQRFKFNIO-ZCFIWIBFSA-N 0 0 288.229 2.530 20 10 CFCDRN CSCC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000834358214 625634289 /nfs/dbraw/zinc/63/42/89/625634289.db2.gz MXTCNBXDGIZGHT-UHFFFAOYSA-N 0 0 295.404 2.621 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@H](OC)C1CC1)CCC2 ZINC000823240252 623273690 /nfs/dbraw/zinc/27/36/90/623273690.db2.gz VRKJFKKVYFWRPV-INIZCTEOSA-N 0 0 291.391 2.881 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230659996 623292019 /nfs/dbraw/zinc/29/20/19/623292019.db2.gz KIYIKBDIUCBTPC-JQWIXIFHSA-N 0 0 255.333 2.589 20 10 CFCDRN CCn1cc(Cl)cc1C(=O)NCCc1ccc(N)cc1 ZINC000063129687 623326454 /nfs/dbraw/zinc/32/64/54/623326454.db2.gz NYVBDOFTPOOGOY-UHFFFAOYSA-N 0 0 291.782 2.716 20 10 CFCDRN C/C(=C\C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000173208121 623338012 /nfs/dbraw/zinc/33/80/12/623338012.db2.gz XYCDCJGSDSFNFD-ZRDIBKRKSA-N 0 0 286.375 2.834 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000823541008 623343508 /nfs/dbraw/zinc/34/35/08/623343508.db2.gz GRZWNOLEAROUHC-WXHSDQCUSA-N 0 0 286.335 2.767 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000174065641 623383071 /nfs/dbraw/zinc/38/30/71/623383071.db2.gz FGCSXEFMMNTYMR-GFCCVEGCSA-N 0 0 270.332 2.549 20 10 CFCDRN COc1ccccc1NC(=S)NCc1ncccc1C ZINC000244163662 623400201 /nfs/dbraw/zinc/40/02/01/623400201.db2.gz UZKZBPIQABWCDH-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)OCO2 ZINC000083443547 623405347 /nfs/dbraw/zinc/40/53/47/623405347.db2.gz ASOMGQJLQNXXMB-UHFFFAOYSA-N 0 0 261.252 2.872 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@]12C[C@H]1CCC2 ZINC000823986333 623429972 /nfs/dbraw/zinc/42/99/72/623429972.db2.gz KMIJMTJKBLZSLY-QMTHXVAHSA-N 0 0 265.740 2.852 20 10 CFCDRN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(F)F ZINC000824009266 623431379 /nfs/dbraw/zinc/43/13/79/623431379.db2.gz DFEPRQGURIGGNI-MRVPVSSYSA-N 0 0 298.293 2.870 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000824316099 623489678 /nfs/dbraw/zinc/48/96/78/623489678.db2.gz CNLPTZGHOFVNFI-AAEUAGOBSA-N 0 0 286.335 2.864 20 10 CFCDRN Oc1c(CNC(CF)CF)ccc2ccccc21 ZINC000824554828 623523135 /nfs/dbraw/zinc/52/31/35/623523135.db2.gz NCHPGRVXHSRTGU-UHFFFAOYSA-N 0 0 251.276 2.943 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](C)OC[C@H]2C)cc1Cl ZINC000824576074 623526566 /nfs/dbraw/zinc/52/65/66/623526566.db2.gz ZNJVFCLHWGTHRC-GHMZBOCLSA-N 0 0 269.772 2.963 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c(O)c1 ZINC000184862288 625657583 /nfs/dbraw/zinc/65/75/83/625657583.db2.gz CEUJYRYEBJRPJW-GFCCVEGCSA-N 0 0 284.359 2.650 20 10 CFCDRN C[C@@H](NC(=O)CC(F)(F)C(F)F)c1ccccc1O ZINC000913763710 623580987 /nfs/dbraw/zinc/58/09/87/623580987.db2.gz OVRXIHVSOIPVRB-SSDOTTSWSA-N 0 0 279.233 2.860 20 10 CFCDRN CCc1nc(CNCc2ccc(N(C)C)c(F)c2)co1 ZINC000825050459 623617189 /nfs/dbraw/zinc/61/71/89/623617189.db2.gz MXJJMJHDMLKEMO-UHFFFAOYSA-N 0 0 277.343 2.732 20 10 CFCDRN CCC[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000913850797 623620080 /nfs/dbraw/zinc/62/00/80/623620080.db2.gz RPYHOFVRBGHRNO-SECBINFHSA-N 0 0 254.305 2.519 20 10 CFCDRN CCC[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000913850798 623620189 /nfs/dbraw/zinc/62/01/89/623620189.db2.gz RPYHOFVRBGHRNO-VIFPVBQESA-N 0 0 254.305 2.519 20 10 CFCDRN CCC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])COC1 ZINC000825079413 623624795 /nfs/dbraw/zinc/62/47/95/623624795.db2.gz SLCUMQITAYRGGV-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC(C1CC1)C1CC1 ZINC000913986589 623667257 /nfs/dbraw/zinc/66/72/57/623667257.db2.gz ZRXVPRCLZDCSDP-UHFFFAOYSA-N 0 0 278.327 2.519 20 10 CFCDRN CCn1ccc(C(=O)N2Cc3cccc(O)c3C2)c1C ZINC000825355835 623679843 /nfs/dbraw/zinc/67/98/43/623679843.db2.gz AQWQUJZSRNBIAA-UHFFFAOYSA-N 0 0 270.332 2.678 20 10 CFCDRN C[C@@H]1Cc2cccc(C(=O)N(C)Cc3ccccc3O)c2O1 ZINC000825481211 623700561 /nfs/dbraw/zinc/70/05/61/623700561.db2.gz HEJUVFUZWIHAAM-GFCCVEGCSA-N 0 0 297.354 2.988 20 10 CFCDRN COc1cccc(CNC(=O)C(C)(C)C(C)(F)F)c1O ZINC000825703473 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278.743 2.514 20 10 CFCDRN COc1ccc2c(c1)CCCN2CN1CC(C)(C)OC1=O ZINC000766340335 627196500 /nfs/dbraw/zinc/19/65/00/627196500.db2.gz KGCQSMWKHYQZGM-UHFFFAOYSA-N 0 0 290.363 2.636 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnn1C1CCCC1 ZINC000767928941 627295310 /nfs/dbraw/zinc/29/53/10/627295310.db2.gz ZBTWQSBZEBTWPD-UHFFFAOYSA-N 0 0 285.347 2.634 20 10 CFCDRN Cc1nc(CN(C)c2ccc3c(c2)OCO3)c(C)o1 ZINC000851868652 634564869 /nfs/dbraw/zinc/56/48/69/634564869.db2.gz UGJKJEOQDFXSSZ-UHFFFAOYSA-N 0 0 260.293 2.657 20 10 CFCDRN O=C(NCc1nc(C2CC2)cs1)C1=CC(=O)CS1 ZINC000768255625 627328790 /nfs/dbraw/zinc/32/87/90/627328790.db2.gz GZQHSKLGLYEYDH-UHFFFAOYSA-N 0 0 280.374 2.718 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2c(F)cc(F)cc2C1 ZINC000768290486 627330358 /nfs/dbraw/zinc/33/03/58/627330358.db2.gz IKGPRUSLICMCGX-UHFFFAOYSA-N 0 0 295.310 2.930 20 10 CFCDRN O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1=CC(=O)CS1 ZINC000768309626 627332130 /nfs/dbraw/zinc/33/21/30/627332130.db2.gz KIKGEDARIZKNEN-UMVBOHGHSA-N 0 0 285.368 2.769 20 10 CFCDRN Oc1cc2c(cc1CN1CCC[C@@H]1c1ncon1)CCCC2 ZINC000768445226 627344566 /nfs/dbraw/zinc/34/45/66/627344566.db2.gz QVOIXZMIFIGHQZ-OAHLLOKOSA-N 0 0 299.374 2.991 20 10 CFCDRN C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768518244 627348721 /nfs/dbraw/zinc/34/87/21/627348721.db2.gz ABVWAFACFLEOKA-ZJUUUORDSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc2c(c1)nnn2C ZINC000768541737 627352964 /nfs/dbraw/zinc/35/29/64/627352964.db2.gz KQGCFXGVZKRPJF-UHFFFAOYSA-N 0 0 294.358 2.540 20 10 CFCDRN C[C@@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000768574876 627354781 /nfs/dbraw/zinc/35/47/81/627354781.db2.gz DHBXQHXAUYWQKM-WGAJWPLOSA-N 0 0 289.253 2.568 20 10 CFCDRN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000809979671 627369429 /nfs/dbraw/zinc/36/94/29/627369429.db2.gz ARZHUTPMWODPIQ-WDEREUQCSA-N 0 0 274.368 2.856 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCC(F)(F)C1 ZINC000769086196 627401492 /nfs/dbraw/zinc/40/14/92/627401492.db2.gz JMVDJCNPZWIUSE-LLVKDONJSA-N 0 0 284.306 2.769 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCC[C@H]1c1ncon1 ZINC000769233062 627414357 /nfs/dbraw/zinc/41/43/57/627414357.db2.gz QZODZTOXKXBMQN-NSHDSACASA-N 0 0 279.727 2.766 20 10 CFCDRN O=C(Cc1cccc2cccnc21)NCc1ccccc1O ZINC000769362365 627428386 /nfs/dbraw/zinc/42/83/86/627428386.db2.gz IXQQDPBTPQGNPQ-UHFFFAOYSA-N 0 0 292.338 2.799 20 10 CFCDRN C[C@H](COc1ccccc1)C(=O)NCc1ccccc1O ZINC000769366233 627428555 /nfs/dbraw/zinc/42/85/55/627428555.db2.gz WRBQYOOFOVPMLS-CYBMUJFWSA-N 0 0 285.343 2.724 20 10 CFCDRN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000769992838 627494765 /nfs/dbraw/zinc/49/47/65/627494765.db2.gz DTJFDJUUKKYLRN-QKXNICGJSA-N 0 0 271.307 2.648 20 10 CFCDRN C[C@@H]([NH2+]CC1(CO)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769994813 627495298 /nfs/dbraw/zinc/49/52/98/627495298.db2.gz JQPBPWURNWBOQW-LLVKDONJSA-N 0 0 294.351 2.504 20 10 CFCDRN CC(C)C(NC(=O)NCc1ccccc1O)C(C)C ZINC000770368190 627516177 /nfs/dbraw/zinc/51/61/77/627516177.db2.gz KTQCAFWQRHHXQE-UHFFFAOYSA-N 0 0 264.369 2.872 20 10 CFCDRN Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000770491628 627525245 /nfs/dbraw/zinc/52/52/45/627525245.db2.gz ZQMLNDWVTRMZID-QMMMGPOBSA-N 0 0 290.319 2.502 20 10 CFCDRN COc1ccc(O)c(CNc2cnn(C)c2C2CC2)c1 ZINC000770665156 627538715 /nfs/dbraw/zinc/53/87/15/627538715.db2.gz ONWOZKQJERVPEZ-UHFFFAOYSA-N 0 0 273.336 2.624 20 10 CFCDRN Cc1ccncc1[C@@H](C)NC(=O)NCc1ccccc1O ZINC000771429112 627604158 /nfs/dbraw/zinc/60/41/58/627604158.db2.gz BFTVMPLBQDEFAT-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN COCc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772301384 627699200 /nfs/dbraw/zinc/69/92/00/627699200.db2.gz TWLIVNUDZVEYRJ-GFCCVEGCSA-N 0 0 286.379 2.862 20 10 CFCDRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000772472418 627711795 /nfs/dbraw/zinc/71/17/95/627711795.db2.gz SFAKFYUZMJJWOL-GWCFXTLKSA-N 0 0 291.372 2.696 20 10 CFCDRN O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)c1ccccc1 ZINC000772773608 627742830 /nfs/dbraw/zinc/74/28/30/627742830.db2.gz DHZXHZPCQLPWKY-VQHVLOKHSA-N 0 0 298.294 2.537 20 10 CFCDRN C[C@@H](NC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000773008819 627767436 /nfs/dbraw/zinc/76/74/36/627767436.db2.gz NXYKSVLBPMJVPU-LLVKDONJSA-N 0 0 258.321 2.837 20 10 CFCDRN C[C@H](NC(=O)c1cc[nH]c1)c1ccc(N(C)C)cc1 ZINC000773009721 627768180 /nfs/dbraw/zinc/76/81/80/627768180.db2.gz QHNOMXYHPHQEEM-NSHDSACASA-N 0 0 257.337 2.572 20 10 CFCDRN C[C@@H](NC(=O)[C@]1(C)CCCOC1)c1ccc(N(C)C)cc1 ZINC000773009695 627768495 /nfs/dbraw/zinc/76/84/95/627768495.db2.gz QBDRTFPIXLZFBX-CXAGYDPISA-N 0 0 290.407 2.747 20 10 CFCDRN CCO[C@@H](CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773011240 627768518 /nfs/dbraw/zinc/76/85/18/627768518.db2.gz DWBGBNGOMBDHCP-DOMZBBRYSA-N 0 0 278.396 2.745 20 10 CFCDRN CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773016229 627769170 /nfs/dbraw/zinc/76/91/70/627769170.db2.gz UDZNOEODOZNQPB-NEPJUHHUSA-N 0 0 280.437 2.929 20 10 CFCDRN C[C@@H](NC(=O)CCOCC1CC1)c1ccc(N(C)C)cc1 ZINC000773019329 627769659 /nfs/dbraw/zinc/76/96/59/627769659.db2.gz KRKPFUYMFCTKSC-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN CCc1n[nH]cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020754 627769825 /nfs/dbraw/zinc/76/98/25/627769825.db2.gz VKPGAUIOVDFJLR-NSHDSACASA-N 0 0 286.379 2.529 20 10 CFCDRN CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021134 627770467 /nfs/dbraw/zinc/77/04/67/627770467.db2.gz YXBKKPJWDPSTAP-KBPBESRZSA-N 0 0 292.423 2.991 20 10 CFCDRN C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000773028195 627771144 /nfs/dbraw/zinc/77/11/44/627771144.db2.gz YLHBUNOOECNRKD-XJKSGUPXSA-N 0 0 290.407 2.889 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773028410 627771582 /nfs/dbraw/zinc/77/15/82/627771582.db2.gz ZNJCWDCNSZISHF-FZMZJTMJSA-N 0 0 278.421 2.825 20 10 CFCDRN CC(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773113787 627784233 /nfs/dbraw/zinc/78/42/33/627784233.db2.gz RARGATQTKPHQIK-GFCCVEGCSA-N 0 0 263.385 2.769 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773181953 627792988 /nfs/dbraw/zinc/79/29/88/627792988.db2.gz DHJHIABEWVOLTM-MBNYWOFBSA-N 0 0 275.396 2.769 20 10 CFCDRN C[C@@H](NC(=O)NCCC1CC1)c1ccc(N(C)C)cc1 ZINC000773337764 627807294 /nfs/dbraw/zinc/80/72/94/627807294.db2.gz KMARJGCZJQHUPU-GFCCVEGCSA-N 0 0 275.396 2.913 20 10 CFCDRN C[C@H](NC(=O)NC1CC(C)C1)c1ccc(N(C)C)cc1 ZINC000773376302 627810843 /nfs/dbraw/zinc/81/08/43/627810843.db2.gz RDJYDFNFEGHBBR-LXVYMNJGSA-N 0 0 275.396 2.911 20 10 CFCDRN CS[C@H](C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773743712 627853259 /nfs/dbraw/zinc/85/32/59/627853259.db2.gz IECNUGCIVHIXAT-WDEREUQCSA-N 0 0 297.420 2.677 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)oc1C ZINC000773751751 627854444 /nfs/dbraw/zinc/85/44/44/627854444.db2.gz VNVSBJIDLWRANG-SNVBAGLBSA-N 0 0 289.331 2.669 20 10 CFCDRN CC(C)=C(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773764117 627856789 /nfs/dbraw/zinc/85/67/89/627856789.db2.gz XEENQBZZZSKEGW-SNVBAGLBSA-N 0 0 263.337 2.501 20 10 CFCDRN Cc1cc2ccc(C(=O)NCc3ccccc3O)cn2c1 ZINC000774067009 627884314 /nfs/dbraw/zinc/88/43/14/627884314.db2.gz WBRYBSOAQAFELC-UHFFFAOYSA-N 0 0 280.327 2.883 20 10 CFCDRN CCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774253808 627908547 /nfs/dbraw/zinc/90/85/47/627908547.db2.gz FVACMQIJKXGXPA-NSHDSACASA-N 0 0 265.426 2.688 20 10 CFCDRN COc1cccc(CNc2ccsc2[N+](=O)[O-])c1O ZINC000774523678 627934709 /nfs/dbraw/zinc/93/47/09/627934709.db2.gz HOSYBYNNGFVIOK-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NOC2CCCC2)c1 ZINC000774810823 627965790 /nfs/dbraw/zinc/96/57/90/627965790.db2.gz ZJMJBBKVOIIGCF-SNVBAGLBSA-N 0 0 294.351 2.635 20 10 CFCDRN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774904664 627978227 /nfs/dbraw/zinc/97/82/27/627978227.db2.gz IXRZEOWGITWREF-PWSUYJOCSA-N 0 0 294.351 2.929 20 10 CFCDRN CCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774943568 627981092 /nfs/dbraw/zinc/98/10/92/627981092.db2.gz VLDOSKNZJPJXMX-SECBINFHSA-N 0 0 268.313 2.587 20 10 CFCDRN COc1c([O-])c(C[NH2+]C(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC000775014673 627985201 /nfs/dbraw/zinc/98/52/01/627985201.db2.gz IESCCEXWNNZAGM-UHFFFAOYSA-N 0 0 280.324 2.587 20 10 CFCDRN Cc1cc(NCc2ccccc2O)cc(OCCO)c1 ZINC000775032331 627986506 /nfs/dbraw/zinc/98/65/06/627986506.db2.gz GNSCHJMYIMPIQZ-UHFFFAOYSA-N 0 0 273.332 2.684 20 10 CFCDRN CCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)co1 ZINC000775408281 628022232 /nfs/dbraw/zinc/02/22/32/628022232.db2.gz YHTYKPQKUKZLIP-NSHDSACASA-N 0 0 287.363 2.794 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000775649092 628050292 /nfs/dbraw/zinc/05/02/92/628050292.db2.gz KVYBKRATXFLNHQ-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000775674448 628052866 /nfs/dbraw/zinc/05/28/66/628052866.db2.gz BSCVDNRMZLXFQL-CYBMUJFWSA-N 0 0 297.782 2.773 20 10 CFCDRN CC[N@@H+]1C[C@@H](C)N(Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775713981 628058769 /nfs/dbraw/zinc/05/87/69/628058769.db2.gz XZUWOIZMWKVMOE-VXGBXAGGSA-N 0 0 282.815 2.960 20 10 CFCDRN CCCOC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775828699 628073235 /nfs/dbraw/zinc/07/32/35/628073235.db2.gz UULWSIUWZAMRBS-OLZOCXBDSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775836076 628073776 /nfs/dbraw/zinc/07/37/76/628073776.db2.gz YJQMARFVVSWYFE-ZDUSSCGKSA-N 0 0 270.380 2.702 20 10 CFCDRN CCCC[N@H+](Cc1cn(C)cn1)Cc1ccccc1O ZINC000852019103 634629141 /nfs/dbraw/zinc/62/91/41/634629141.db2.gz URACPQCMGGNRIK-UHFFFAOYSA-N 0 0 273.380 2.928 20 10 CFCDRN COCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776162275 628108710 /nfs/dbraw/zinc/10/87/10/628108710.db2.gz DRBNYTOJLYNEAZ-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccco1 ZINC000776222002 628118957 /nfs/dbraw/zinc/11/89/57/628118957.db2.gz BPUSXCSOGVZBGN-AWEZNQCLSA-N 0 0 299.729 2.775 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000776310923 628130030 /nfs/dbraw/zinc/13/00/30/628130030.db2.gz OCMZDCJJEMEHTI-DGCLKSJQSA-N 0 0 278.371 2.944 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccsc2)cc1 ZINC000008172222 634637681 /nfs/dbraw/zinc/63/76/81/634637681.db2.gz REWCMJLNMNRQTM-UHFFFAOYSA-N 0 0 260.362 2.744 20 10 CFCDRN CC(=O)c1ccc(C(=O)NCc2ccccc2O)c(F)c1 ZINC000777418715 628223563 /nfs/dbraw/zinc/22/35/63/628223563.db2.gz COPIHXULDRPOBJ-UHFFFAOYSA-N 0 0 287.290 2.664 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)nn1[C@@H](C)C1CC1 ZINC000777419982 628224116 /nfs/dbraw/zinc/22/41/16/628224116.db2.gz QDUGEGQTZUOMQJ-LBPRGKRZSA-N 0 0 299.374 2.798 20 10 CFCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778918247 628339712 /nfs/dbraw/zinc/33/97/12/628339712.db2.gz HZLPNASBPYFSPJ-AAEUAGOBSA-N 0 0 277.364 2.930 20 10 CFCDRN Cc1nc(F)ccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000779205349 628360331 /nfs/dbraw/zinc/36/03/31/628360331.db2.gz WJXQSRXJKMKCJS-POHAHGRESA-N 0 0 294.376 2.893 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779208848 628360583 /nfs/dbraw/zinc/36/05/83/628360583.db2.gz NZKPPJBTDQTJBZ-UHFFFAOYSA-N 0 0 291.725 2.638 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC=CCC1 ZINC000779353469 628376506 /nfs/dbraw/zinc/37/65/06/628376506.db2.gz YWHFPTQSXTXJJD-UHFFFAOYSA-N 0 0 273.380 2.533 20 10 CFCDRN COc1ccccc1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779499234 628385336 /nfs/dbraw/zinc/38/53/36/628385336.db2.gz LILVWZCFPAQPRK-CSKARUKUSA-N 0 0 299.326 2.783 20 10 CFCDRN CC(C)C(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779515004 628385961 /nfs/dbraw/zinc/38/59/61/628385961.db2.gz ROCCOGHIBDWLOK-VURMDHGXSA-N 0 0 263.337 2.662 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2ccco2)C1 ZINC000779517472 628386323 /nfs/dbraw/zinc/38/63/23/628386323.db2.gz QPEJOUWIZLNXNR-RYWCDNDXSA-N 0 0 299.326 2.720 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC(C1CC1)C1CC1 ZINC000779525636 628386327 /nfs/dbraw/zinc/38/63/27/628386327.db2.gz MNYBZUWCHDNKDK-WAPJZHGLSA-N 0 0 287.359 2.663 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ccco2)C1 ZINC000779517468 628386410 /nfs/dbraw/zinc/38/64/10/628386410.db2.gz QPEJOUWIZLNXNR-AGLBCWCQSA-N 0 0 299.326 2.720 20 10 CFCDRN CC[C@@H]1C[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779532618 628386918 /nfs/dbraw/zinc/38/69/18/628386918.db2.gz TXIFPFPIMIJWMS-VAFIWLDWSA-N 0 0 275.348 2.758 20 10 CFCDRN CC(C)C(NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000779534128 628386932 /nfs/dbraw/zinc/38/69/32/628386932.db2.gz FBOJQCDHEXZXOD-VURMDHGXSA-N 0 0 277.364 2.908 20 10 CFCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000779665266 628392568 /nfs/dbraw/zinc/39/25/68/628392568.db2.gz FULAXWUXKWVCKF-WTKPLQERSA-N 0 0 298.342 2.862 20 10 CFCDRN C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183234 628437482 /nfs/dbraw/zinc/43/74/82/628437482.db2.gz FDWOVAWHQWDHLG-GXTWGEPZSA-N 0 0 275.396 2.740 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183243 628437486 /nfs/dbraw/zinc/43/74/86/628437486.db2.gz FDWOVAWHQWDHLG-OCCSQVGLSA-N 0 0 275.396 2.740 20 10 CFCDRN COc1cccc(O)c1CN(C)c1ccc2c(c1)OCO2 ZINC000780778219 628496249 /nfs/dbraw/zinc/49/62/49/628496249.db2.gz GITPAWDARLJEQW-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN CN(Cc1cccc2c1OCO2)c1ccc2c(c1)OCO2 ZINC000780778901 628496468 /nfs/dbraw/zinc/49/64/68/628496468.db2.gz XEGSKRIERJNYFU-UHFFFAOYSA-N 0 0 285.299 2.780 20 10 CFCDRN Cc1ccc(C(=O)N(CC2CC2)C(C)C)c(O)c1O ZINC000780888765 628502198 /nfs/dbraw/zinc/50/21/98/628502198.db2.gz NAQRFEXPSMDULX-UHFFFAOYSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c(O)c1O ZINC000780950034 628507192 /nfs/dbraw/zinc/50/71/92/628507192.db2.gz JLCPGPOSQLNOLY-KSSFIOAISA-N 0 0 297.354 2.866 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c(O)c1O ZINC000780950033 628507288 /nfs/dbraw/zinc/50/72/88/628507288.db2.gz JLCPGPOSQLNOLY-KDOFPFPSSA-N 0 0 297.354 2.866 20 10 CFCDRN Cc1ccc(C(=O)NCC(C2CC2)C2CC2)c(O)c1O ZINC000780952950 628507931 /nfs/dbraw/zinc/50/79/31/628507931.db2.gz RFEVVLMCRBZYHW-UHFFFAOYSA-N 0 0 275.348 2.572 20 10 CFCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000782228784 628617306 /nfs/dbraw/zinc/61/73/06/628617306.db2.gz MQKMGGBDAJBHBF-AWEZNQCLSA-N 0 0 291.391 2.689 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cnc2c(c1)CCCC2 ZINC000782666454 628653498 /nfs/dbraw/zinc/65/34/98/628653498.db2.gz DKWQSCKWLGGRSE-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN COc1cccc2ncnc(NCc3ccccc3O)c21 ZINC000782948433 628665219 /nfs/dbraw/zinc/66/52/19/628665219.db2.gz SYKBHVKNEQSEHS-UHFFFAOYSA-N 0 0 281.315 2.956 20 10 CFCDRN COc1cccc2ncnc(N(C)Cc3ccccc3O)c21 ZINC000782962191 628666306 /nfs/dbraw/zinc/66/63/06/628666306.db2.gz OTSWJYDSLQVKBI-UHFFFAOYSA-N 0 0 295.342 2.980 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783302116 628699522 /nfs/dbraw/zinc/69/95/22/628699522.db2.gz BSIYQFMYZVQOKU-PWSUYJOCSA-N 0 0 278.308 2.644 20 10 CFCDRN CC[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C ZINC000783502141 628714011 /nfs/dbraw/zinc/71/40/11/628714011.db2.gz IDPGGEIMPCIMQP-NSHDSACASA-N 0 0 294.347 2.896 20 10 CFCDRN CCOc1ccc(CN2CCc3ncsc3C2)c(O)c1 ZINC000783745543 628740947 /nfs/dbraw/zinc/74/09/47/628740947.db2.gz NSVFXOUCQIHQPL-UHFFFAOYSA-N 0 0 290.388 2.806 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CC2(F)F)cc1 ZINC000852209478 634690706 /nfs/dbraw/zinc/69/07/06/634690706.db2.gz PMJNSLALYUQJNP-LBPRGKRZSA-N 0 0 257.280 2.556 20 10 CFCDRN Cn1ccc2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC000785748186 628910430 /nfs/dbraw/zinc/91/04/30/628910430.db2.gz QEMCBLMIHYZAGE-UHFFFAOYSA-N 0 0 282.299 2.842 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCC=Cc3ccccc32)cn1 ZINC000786235692 628944445 /nfs/dbraw/zinc/94/44/45/628944445.db2.gz GQPUGPXQQTUZJA-MDZDMXLPSA-N 0 0 279.343 2.883 20 10 CFCDRN CN(Cc1ccccc1O)c1ccsc1[N+](=O)[O-] ZINC000786793071 628979569 /nfs/dbraw/zinc/97/95/69/628979569.db2.gz KZQSOCRKTFQNJP-UHFFFAOYSA-N 0 0 264.306 2.998 20 10 CFCDRN C[C@H]1CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000805863108 629059178 /nfs/dbraw/zinc/05/91/78/629059178.db2.gz SUSUBCKRMZUVEP-NHYWBVRUSA-N 0 0 288.391 2.869 20 10 CFCDRN CCN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000788689542 629092678 /nfs/dbraw/zinc/09/26/78/629092678.db2.gz GXRYMBSQZJKLFS-KRWDZBQOSA-N 0 0 282.343 2.510 20 10 CFCDRN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncnn1C ZINC000788982357 629113368 /nfs/dbraw/zinc/11/33/68/629113368.db2.gz HPURVYDRXQFQGZ-WCABBAIRSA-N 0 0 290.342 2.559 20 10 CFCDRN COc1nn(C)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000788983815 629113992 /nfs/dbraw/zinc/11/39/92/629113992.db2.gz HNFXOAHQNHCXMF-PSASIEDQSA-N 0 0 291.326 2.934 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)C)cc1OC ZINC000789296248 629144960 /nfs/dbraw/zinc/14/49/60/629144960.db2.gz YPXZJCOCCUBZAS-UHFFFAOYSA-N 0 0 290.367 2.513 20 10 CFCDRN CCN(Cc1ccccc1)C(=O)c1c(F)ccc(O)c1O ZINC000789946948 629199260 /nfs/dbraw/zinc/19/92/60/629199260.db2.gz SXUQUJSWIOQNPJ-UHFFFAOYSA-N 0 0 289.306 2.899 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000790231909 629221355 /nfs/dbraw/zinc/22/13/55/629221355.db2.gz SPTPCZIQLHTQCA-HNNXBMFYSA-N 0 0 278.396 2.828 20 10 CFCDRN Nc1ccc(CCNC(=O)CC2=CCCCC2)cc1 ZINC000110535208 634717959 /nfs/dbraw/zinc/71/79/59/634717959.db2.gz BOUJVOUZBCUKHL-UHFFFAOYSA-N 0 0 258.365 2.818 20 10 CFCDRN CCCn1ncnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000790338694 629234188 /nfs/dbraw/zinc/23/41/88/629234188.db2.gz HEPRJLPFMTVASB-ZDUSSCGKSA-N 0 0 287.411 2.605 20 10 CFCDRN Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2[nH]1 ZINC000790496638 629243128 /nfs/dbraw/zinc/24/31/28/629243128.db2.gz XGEDUPGCCGOQDH-UHFFFAOYSA-N 0 0 283.287 2.535 20 10 CFCDRN Cc1cc(C)c(CNC(=O)c2cccc(O)c2O)c(C)c1 ZINC000790523691 629244836 /nfs/dbraw/zinc/24/48/36/629244836.db2.gz VDDWSCLHCVTMRO-UHFFFAOYSA-N 0 0 285.343 2.953 20 10 CFCDRN Cc1cc2c[nH]nc2cc1NC(=O)c1cccc(O)c1O ZINC000790653230 629255296 /nfs/dbraw/zinc/25/52/96/629255296.db2.gz WYCGZCUSXQRTGS-UHFFFAOYSA-N 0 0 283.287 2.535 20 10 CFCDRN Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2n1C ZINC000790810774 629265607 /nfs/dbraw/zinc/26/56/07/629265607.db2.gz RDPUJJFVDOBWLB-UHFFFAOYSA-N 0 0 297.314 2.545 20 10 CFCDRN CCc1cnccc1[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000790919013 629271519 /nfs/dbraw/zinc/27/15/19/629271519.db2.gz ZBUIKZXSLBHBOD-SNVBAGLBSA-N 0 0 286.331 2.546 20 10 CFCDRN CC[C@H](CC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000790932262 629272346 /nfs/dbraw/zinc/27/23/46/629272346.db2.gz XHTMAPBMDNJRMM-SSDOTTSWSA-N 0 0 277.242 2.559 20 10 CFCDRN COCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000790969287 629275350 /nfs/dbraw/zinc/27/53/50/629275350.db2.gz VBQPYHNAJWYZOQ-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H]1CCN(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790970374 629275686 /nfs/dbraw/zinc/27/56/86/629275686.db2.gz HDTRQRLTIPUTCM-SNVBAGLBSA-N 0 0 286.778 2.616 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790993006 629278438 /nfs/dbraw/zinc/27/84/38/629278438.db2.gz SGERJTLYFAVDSK-JGVFFNPUSA-N 0 0 261.724 2.698 20 10 CFCDRN CC1(C)CCN(C(=O)C2=CC(=O)CS2)CCS1 ZINC000791017806 629281355 /nfs/dbraw/zinc/28/13/55/629281355.db2.gz JWFSMXCWLLYELV-UHFFFAOYSA-N 0 0 271.407 2.811 20 10 CFCDRN COc1ccc2c(c1NC(=O)c1cccc(O)c1O)CCC2 ZINC000791118710 629288312 /nfs/dbraw/zinc/28/83/12/629288312.db2.gz BJKWACUTXBTKSU-UHFFFAOYSA-N 0 0 299.326 2.847 20 10 CFCDRN COCCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)F ZINC000835025201 629321315 /nfs/dbraw/zinc/32/13/15/629321315.db2.gz CCKVJPHVZJYVEH-PLNGDYQASA-N 0 0 298.377 2.979 20 10 CFCDRN CN(C)c1ccc(/C=C/CNc2cnn(C)c2)cc1 ZINC000835035707 629328585 /nfs/dbraw/zinc/32/85/85/629328585.db2.gz DRRFRCINQFORQQ-SNAWJCMRSA-N 0 0 256.353 2.611 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCO[C@H](C3CC3)C2)cc1 ZINC000835044328 629339026 /nfs/dbraw/zinc/33/90/26/629339026.db2.gz AFWAODPRICASCK-JXCVUKRWSA-N 0 0 286.419 2.877 20 10 CFCDRN COc1cc(NC/C=C/c2ccc(N(C)C)cc2)nn1C ZINC000835046479 629342871 /nfs/dbraw/zinc/34/28/71/629342871.db2.gz KSIUBXVNCWRAEP-AATRIKPKSA-N 0 0 286.379 2.620 20 10 CFCDRN Cc1cn2c(n1)CN(C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000835048358 629345821 /nfs/dbraw/zinc/34/58/21/629345821.db2.gz QLAOTWMZQUVKMA-SNAWJCMRSA-N 0 0 296.418 2.787 20 10 CFCDRN COc1nn(C)cc1NC/C=C\c1ccc(N(C)C)cc1 ZINC000835050006 629349081 /nfs/dbraw/zinc/34/90/81/629349081.db2.gz LVZCVURURXSXDQ-WAYWQWQTSA-N 0 0 286.379 2.620 20 10 CFCDRN C[C@@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000792029607 629390033 /nfs/dbraw/zinc/39/00/33/629390033.db2.gz XXUKUHFCYPTUCM-OKILXGFUSA-N 0 0 287.407 2.979 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H](C)C[C@@H]1C ZINC000792093128 629396483 /nfs/dbraw/zinc/39/64/83/629396483.db2.gz QDOWDUWJHZCYIP-BETUJISGSA-N 0 0 275.396 2.753 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCCO)C1CC1 ZINC000792164635 629403980 /nfs/dbraw/zinc/40/39/80/629403980.db2.gz AZMQLDTWMUKOJU-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174329 629405619 /nfs/dbraw/zinc/40/56/19/629405619.db2.gz RYXQFFKBTMOITD-NXEZZACHSA-N 0 0 287.762 2.778 20 10 CFCDRN CCCCCCNC(=O)NCc1ccc(OC)cc1O ZINC000792777233 629450572 /nfs/dbraw/zinc/45/05/72/629450572.db2.gz MBXUJBBOFPDCNW-UHFFFAOYSA-N 0 0 280.368 2.780 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H](C)C2CCCC2)c(O)c1 ZINC000792937977 629468726 /nfs/dbraw/zinc/46/87/26/629468726.db2.gz AXZMMFNDFBPDRE-LLVKDONJSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H](C)CC(C)C)c(O)c1 ZINC000793013582 629476886 /nfs/dbraw/zinc/47/68/86/629476886.db2.gz SJQQJPYCIKKTGW-NSHDSACASA-N 0 0 280.368 2.635 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000793346214 629529488 /nfs/dbraw/zinc/52/94/88/629529488.db2.gz GXEXWVRTPGJEBR-WDEREUQCSA-N 0 0 294.351 2.835 20 10 CFCDRN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CCC1 ZINC000793351199 629529552 /nfs/dbraw/zinc/52/95/52/629529552.db2.gz CVZFUBRTJRMBAT-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN Cc1ccc(C[N@H+](CCO)Cc2cccc(Cl)c2[O-])o1 ZINC000793367301 629531827 /nfs/dbraw/zinc/53/18/27/629531827.db2.gz YKPSYVFBJPGJBG-UHFFFAOYSA-N 0 0 295.766 2.942 20 10 CFCDRN Oc1ccc2oc3c(c2c1CN1CCO[C@@H]2C[C@@H]21)CCCC3 ZINC000793624517 629580593 /nfs/dbraw/zinc/58/05/93/629580593.db2.gz XSGRMZDVPMLFTQ-SUMWQHHRSA-N 0 0 299.370 2.990 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC2(C)C)c1 ZINC000806022519 629581549 /nfs/dbraw/zinc/58/15/49/629581549.db2.gz XQMQSFLEFRLZIQ-QMTHXVAHSA-N 0 0 292.379 2.950 20 10 CFCDRN O=C(NCc1ccccc1O)C(F)(F)Cc1ccccc1 ZINC000793681374 629585510 /nfs/dbraw/zinc/58/55/10/629585510.db2.gz ONKGVWGCUQUDIJ-UHFFFAOYSA-N 0 0 291.297 2.886 20 10 CFCDRN CCN(CC1CCC1)C(=O)c1ccc(C)c(O)c1O ZINC000794285334 629630525 /nfs/dbraw/zinc/63/05/25/629630525.db2.gz VIMUAIVPCRCAAS-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN COc1ccc(CNC(=O)/C=C2/CC[C@H](C)C2)c(O)c1 ZINC000794376988 629641275 /nfs/dbraw/zinc/64/12/75/629641275.db2.gz KALUVTSKUQNXBU-LCFDYFRESA-N 0 0 275.348 2.763 20 10 CFCDRN COc1ccc(CNC(=O)C(C)(C)C(C)C)c(O)c1 ZINC000794376947 629641283 /nfs/dbraw/zinc/64/12/83/629641283.db2.gz NIPZTUZFGZTRNY-UHFFFAOYSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc3cc[nH]c32)c(O)c1 ZINC000794374364 629641592 /nfs/dbraw/zinc/64/15/92/629641592.db2.gz QTWJTDNWSLAIFW-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C)c(C)c2)c(O)c1 ZINC000794379672 629642067 /nfs/dbraw/zinc/64/20/67/629642067.db2.gz UXQKHDPUSVJNDL-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN CCC/C(C)=C\C(=O)NCc1ccc(OC)cc1O ZINC000794380941 629642350 /nfs/dbraw/zinc/64/23/50/629642350.db2.gz GCIVFUIWLKETJC-FLIBITNWSA-N 0 0 263.337 2.763 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000794386875 629642713 /nfs/dbraw/zinc/64/27/13/629642713.db2.gz DJNAUVFITDMGCB-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)c2cccnc2C2CC2)c(O)c1 ZINC000794390975 629642782 /nfs/dbraw/zinc/64/27/82/629642782.db2.gz SBFSWONPTGMUAO-UHFFFAOYSA-N 0 0 298.342 2.603 20 10 CFCDRN CCc1nc(C)c(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000794437312 629646744 /nfs/dbraw/zinc/64/67/44/629646744.db2.gz QCGMJYPKFMBKQA-UHFFFAOYSA-N 0 0 274.320 2.911 20 10 CFCDRN CCn1cc(CCN(C)c2ccc(OC)c(OC)c2)cn1 ZINC000794547390 629659828 /nfs/dbraw/zinc/65/98/28/629659828.db2.gz IHWHAGCHGATVJL-UHFFFAOYSA-N 0 0 289.379 2.599 20 10 CFCDRN CSCC1(CCNC(=O)NCc2ccccc2O)CC1 ZINC000852503742 634763355 /nfs/dbraw/zinc/76/33/55/634763355.db2.gz RPJVTCPWSQAGTC-UHFFFAOYSA-N 0 0 294.420 2.725 20 10 CFCDRN COc1ccc(CNC(=S)NC2CCCCC2)c(O)c1 ZINC000795032150 629726691 /nfs/dbraw/zinc/72/66/91/629726691.db2.gz QMSVYVMJRHPXFD-UHFFFAOYSA-N 0 0 294.420 2.698 20 10 CFCDRN COc1ccc(CNc2cnc3ccccc3n2)c(O)c1 ZINC000795284312 629757018 /nfs/dbraw/zinc/75/70/18/629757018.db2.gz KHXAYSSHPNJFPY-UHFFFAOYSA-N 0 0 281.315 2.956 20 10 CFCDRN CC1(C)CC(CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000796283301 629900434 /nfs/dbraw/zinc/90/04/34/629900434.db2.gz UMNSITKRODQLAU-UHFFFAOYSA-N 0 0 292.331 2.650 20 10 CFCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000796525853 629930445 /nfs/dbraw/zinc/93/04/45/629930445.db2.gz GSMXYCFBWSZYJR-XCBNKYQSSA-N 0 0 270.716 2.842 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796700476 629951822 /nfs/dbraw/zinc/95/18/22/629951822.db2.gz FAJKKWGWMFKXMM-FZMZJTMJSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccc(F)cc1[O-] ZINC000796702623 629953032 /nfs/dbraw/zinc/95/30/32/629953032.db2.gz LZHBHPVXYUUFQB-UKRRQHHQSA-N 0 0 299.386 2.606 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(F)cc1[O-] ZINC000796722636 629955172 /nfs/dbraw/zinc/95/51/72/629955172.db2.gz GYGTVDKMVGPZMV-TZMCWYRMSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(F)cc1[O-] ZINC000796779590 629965243 /nfs/dbraw/zinc/96/52/43/629965243.db2.gz PNAWQDJFAIXXBF-WCQYABFASA-N 0 0 287.400 2.686 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(F)cc1[O-] ZINC000796815650 629971739 /nfs/dbraw/zinc/97/17/39/629971739.db2.gz FLXFLRCPJUAQFL-KGLIPLIRSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796846701 629978522 /nfs/dbraw/zinc/97/85/22/629978522.db2.gz IQNWVPOWRLFHCV-MWLCHTKSSA-N 0 0 295.276 2.885 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797077830 630013401 /nfs/dbraw/zinc/01/34/01/630013401.db2.gz HBUJPOTWJWWOPO-DCAQKATOSA-N 0 0 285.334 2.994 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CC2(F)F)cc1 ZINC000852580502 634784847 /nfs/dbraw/zinc/78/48/47/634784847.db2.gz CSWWEKPJVCOZBQ-CQSZACIVSA-N 0 0 297.349 2.597 20 10 CFCDRN O=C(NCCCC1CCC1)NCc1ccccc1O ZINC000852583101 634785735 /nfs/dbraw/zinc/78/57/35/634785735.db2.gz QSKZQZALRGRLRW-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000797750568 630099769 /nfs/dbraw/zinc/09/97/69/630099769.db2.gz BQXACZYPQPLJSJ-KOLCDFICSA-N 0 0 299.317 2.580 20 10 CFCDRN CC1=C[C@H](C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000797778680 630102451 /nfs/dbraw/zinc/10/24/51/630102451.db2.gz XUYGPOFSJAQCTM-MALLOTDXSA-N 0 0 273.332 2.536 20 10 CFCDRN Cc1cc[nH]c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000797876519 630116217 /nfs/dbraw/zinc/11/62/17/630116217.db2.gz MEGLYALDMKGVGK-UHFFFAOYSA-N 0 0 271.364 2.628 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCCCc3sccc32)cn1 ZINC000798046966 630144003 /nfs/dbraw/zinc/14/40/03/630144003.db2.gz MPQBKVNWABNOTM-WAYWQWQTSA-N 0 0 287.388 2.864 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCC3=CCCC3)ccc21 ZINC000852635743 634795758 /nfs/dbraw/zinc/79/57/58/634795758.db2.gz VRRNKRPSWDVKGS-UHFFFAOYSA-N 0 0 299.418 2.979 20 10 CFCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852649698 634798743 /nfs/dbraw/zinc/79/87/43/634798743.db2.gz SJCWQPODOFJLNQ-MRXNPFEDSA-N 0 0 289.423 2.986 20 10 CFCDRN Cc1cccc(CNc2ccc3[nH]c(=O)n(C)c3c2)c1O ZINC000799740660 630342156 /nfs/dbraw/zinc/34/21/56/630342156.db2.gz XXCYIEYXNLEKTF-UHFFFAOYSA-N 0 0 283.331 2.905 20 10 CFCDRN CC(C)(C)n1ncnc1CNCc1cc(Cl)ccc1O ZINC000800293725 630367613 /nfs/dbraw/zinc/36/76/13/630367613.db2.gz ITXQVWAZOSUXQV-UHFFFAOYSA-N 0 0 294.786 2.682 20 10 CFCDRN Cc1cc([C@H](C)NCc2ccc3c(c2)CCO3)nn1C ZINC000800476456 630389874 /nfs/dbraw/zinc/38/98/74/630389874.db2.gz KFYGLJOCIPXUBE-LBPRGKRZSA-N 0 0 271.364 2.514 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccncc1 ZINC000839913994 630399784 /nfs/dbraw/zinc/39/97/84/630399784.db2.gz PERLYPACQLLHBQ-AWEZNQCLSA-N 0 0 297.402 2.817 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1C(F)F ZINC000800697151 630402076 /nfs/dbraw/zinc/40/20/76/630402076.db2.gz NYHHIKMNANKZBP-QMMMGPOBSA-N 0 0 261.293 2.714 20 10 CFCDRN CO[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918740 630402127 /nfs/dbraw/zinc/40/21/27/630402127.db2.gz NDIRJFGGBZCKOS-UONOGXRCSA-N 0 0 292.423 2.533 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1ncccn1 ZINC000800887334 630414624 /nfs/dbraw/zinc/41/46/24/630414624.db2.gz QAVFOHQTJCHHSI-UHFFFAOYSA-N 0 0 257.337 2.989 20 10 CFCDRN C[C@@H]([NH2+]CCCOC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800989306 630420555 /nfs/dbraw/zinc/42/05/55/630420555.db2.gz AUUWYAAHQDJSQP-MRVPVSSYSA-N 0 0 290.266 2.580 20 10 CFCDRN Cc1cc(C)cc([C@H](O)CNC(=O)C2=CC(=O)CS2)c1 ZINC000802654941 630536892 /nfs/dbraw/zinc/53/68/92/630536892.db2.gz OBLZKRRVVHRULW-CYBMUJFWSA-N 0 0 291.372 2.534 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000802776818 630545484 /nfs/dbraw/zinc/54/54/84/630545484.db2.gz AOJQSUAAHLCXMW-GXSJLCMTSA-N 0 0 287.281 2.987 20 10 CFCDRN O=C(OC[C@@H]1Cc2ccccc21)c1cccc(O)c1O ZINC000803440604 630617895 /nfs/dbraw/zinc/61/78/95/630617895.db2.gz PTFBOQKXQSMTEB-NSHDSACASA-N 0 0 270.284 2.595 20 10 CFCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1cnn(C)c1)CC2 ZINC000803460077 630620097 /nfs/dbraw/zinc/62/00/97/630620097.db2.gz BEFSGXVAQMVDJY-PLNGDYQASA-N 0 0 281.359 2.639 20 10 CFCDRN COc1cccc(CNc2ncc(SC)cn2)c1O ZINC000804424918 630680884 /nfs/dbraw/zinc/68/08/84/630680884.db2.gz QAARWXWTNQNOHK-UHFFFAOYSA-N 0 0 277.349 2.525 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000836232104 630776604 /nfs/dbraw/zinc/77/66/04/630776604.db2.gz NASZKGNTBXWGFQ-KGLIPLIRSA-N 0 0 275.396 2.598 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1COCCO1 ZINC000806585787 630817296 /nfs/dbraw/zinc/81/72/96/630817296.db2.gz KMCQETQFYIEARY-ZDUSSCGKSA-N 0 0 290.388 2.595 20 10 CFCDRN C[C@@H]1CC=C(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000836778285 630880352 /nfs/dbraw/zinc/88/03/52/630880352.db2.gz VTZPFMNJVIMIDH-LLVKDONJSA-N 0 0 275.348 2.503 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC12CCC(CC1)CC2 ZINC000836881071 630906832 /nfs/dbraw/zinc/90/68/32/630906832.db2.gz GLJYDSJADGLXSS-RQOWECAXSA-N 0 0 287.359 2.950 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1cc(OC)ccc1O ZINC000121472732 630910729 /nfs/dbraw/zinc/91/07/29/630910729.db2.gz VKAYNSWCEVHIFJ-BXUZGUMPSA-N 0 0 292.379 2.779 20 10 CFCDRN CC1CCN(c2ccc(CNCc3cn(C)cn3)cc2)CC1 ZINC000808387539 630985115 /nfs/dbraw/zinc/98/51/15/630985115.db2.gz QPPJWKHFBYUGMW-UHFFFAOYSA-N 0 0 298.434 2.946 20 10 CFCDRN CCc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2)c1 ZINC000837275953 630991034 /nfs/dbraw/zinc/99/10/34/630991034.db2.gz KPVMHZARHAZTQW-HJWRWDBZSA-N 0 0 269.348 2.659 20 10 CFCDRN C[C@@H](NC(=O)C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000808466655 630997882 /nfs/dbraw/zinc/99/78/82/630997882.db2.gz JQSQIPGSQJBVMY-SECBINFHSA-N 0 0 256.296 2.585 20 10 CFCDRN CC(=O)C(=O)COC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000808513534 631005055 /nfs/dbraw/zinc/00/50/55/631005055.db2.gz HVFRFLKQPQDVIE-CMPLNLGQSA-N 0 0 268.353 2.540 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cncc(OC)c1 ZINC000808738193 631041110 /nfs/dbraw/zinc/04/11/10/631041110.db2.gz QNZNUPMKMCDZCL-UHFFFAOYSA-N 0 0 270.332 2.662 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117809 649994979 /nfs/dbraw/zinc/99/49/79/649994979.db2.gz AXTGDAYRWULMAJ-UHFFFAOYSA-N 0 0 255.317 2.973 20 10 CFCDRN CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000840764060 631220576 /nfs/dbraw/zinc/22/05/76/631220576.db2.gz OSAGQTWHSPMXLM-AWEZNQCLSA-N 0 0 277.343 2.548 20 10 CFCDRN CCCNC(=S)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840869568 631246435 /nfs/dbraw/zinc/24/64/35/631246435.db2.gz NSWSJOBSVPUJKI-CYBMUJFWSA-N 0 0 293.480 2.866 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000840884748 631250889 /nfs/dbraw/zinc/25/08/89/631250889.db2.gz PLLGHAHZOLOVNL-GHMZBOCLSA-N 0 0 294.351 2.909 20 10 CFCDRN Cc1cc(O)c(CNc2nc3n(n2)CCCC3)c(Cl)c1 ZINC000840885932 631250976 /nfs/dbraw/zinc/25/09/76/631250976.db2.gz JNWNRJIWAVIHOB-UHFFFAOYSA-N 0 0 292.770 2.894 20 10 CFCDRN CCN(CC)c1ccc(CN=c2nc[nH]n2C(C)C)cc1 ZINC000840886666 631252394 /nfs/dbraw/zinc/25/23/94/631252394.db2.gz LBWCRPVUIIRBOO-UHFFFAOYSA-N 0 0 287.411 2.739 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc(F)cc(F)c1[O-] ZINC000840895819 631254554 /nfs/dbraw/zinc/25/45/54/631254554.db2.gz XQEKQYBTPIYKGH-HOSYDEDBSA-N 0 0 285.334 2.872 20 10 CFCDRN Cc1cc(O)c(CNCc2ccon2)c(Cl)c1 ZINC000840903319 631256971 /nfs/dbraw/zinc/25/69/71/631256971.db2.gz ZYIABVZLUINPQT-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809737355 631273958 /nfs/dbraw/zinc/27/39/58/631273958.db2.gz FZCCZYHOGUCLSX-UHFFFAOYSA-N 0 0 286.778 2.712 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(F)cc1 ZINC000043026041 650002742 /nfs/dbraw/zinc/00/27/42/650002742.db2.gz JDLDYRATTSFQJH-UHFFFAOYSA-N 0 0 288.322 2.873 20 10 CFCDRN Cc1cc(O)c(C[NH2+]CCc2cnc(C)cn2)c(Cl)c1 ZINC000840953565 631280335 /nfs/dbraw/zinc/28/03/35/631280335.db2.gz VBTYARZCNCHBAM-UHFFFAOYSA-N 0 0 291.782 2.785 20 10 CFCDRN C[N@H+](CCCn1ccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809753509 631281103 /nfs/dbraw/zinc/28/11/03/631281103.db2.gz UZNFETDZEPRVHC-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN CCn1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000840954843 631281337 /nfs/dbraw/zinc/28/13/37/631281337.db2.gz KXWLTPORJODRMY-UHFFFAOYSA-N 0 0 259.353 2.515 20 10 CFCDRN CCn1ccc(CNCc2c(O)cccc2Cl)n1 ZINC000840955925 631283115 /nfs/dbraw/zinc/28/31/15/631283115.db2.gz AVDPUHDRYQTNBK-UHFFFAOYSA-N 0 0 265.744 2.552 20 10 CFCDRN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975949 631290597 /nfs/dbraw/zinc/29/05/97/631290597.db2.gz ATDQTUAROMQRDZ-NXEZZACHSA-N 0 0 287.762 2.778 20 10 CFCDRN O=C1OCc2c1cccc2NCc1cc(F)ccc1O ZINC000809791587 631291027 /nfs/dbraw/zinc/29/10/27/631291027.db2.gz PIWYNNJPDVNHHU-UHFFFAOYSA-N 0 0 273.263 2.814 20 10 CFCDRN O=C1OCc2c1cccc2NCc1ccccc1O ZINC000809790307 631291487 /nfs/dbraw/zinc/29/14/87/631291487.db2.gz GNCOGPWJWZGXGS-UHFFFAOYSA-N 0 0 255.273 2.675 20 10 CFCDRN O=C([O-])[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840995478 631296242 /nfs/dbraw/zinc/29/62/42/631296242.db2.gz PLPDQHXQKJFWAT-HNNXBMFYSA-N 0 0 297.354 2.966 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000840995476 631296314 /nfs/dbraw/zinc/29/63/14/631296314.db2.gz PDYSIVBCWUCORD-ZDUSSCGKSA-N 0 0 294.370 2.578 20 10 CFCDRN CC(C)C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840995869 631296340 /nfs/dbraw/zinc/29/63/40/631296340.db2.gz KJVKCZXWLJYPSM-OGZRUICASA-N 0 0 290.407 2.855 20 10 CFCDRN CCC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996811 631297840 /nfs/dbraw/zinc/29/78/40/631297840.db2.gz BPAAPZONTFMZPN-KEDPEKRHSA-N 0 0 276.380 2.609 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000840997678 631298210 /nfs/dbraw/zinc/29/82/10/631298210.db2.gz ZIZFGSSDNRRFTI-JTQLQIEISA-N 0 0 283.755 2.651 20 10 CFCDRN CC(C)CN(C(=O)COc1ccc(N(C)C)cc1)C1CC1 ZINC000810001972 631311664 /nfs/dbraw/zinc/31/16/64/631311664.db2.gz OWOUIYALQBMPOE-UHFFFAOYSA-N 0 0 290.407 2.778 20 10 CFCDRN COCCSCCCOc1ccc(N(C)C)cc1 ZINC000810000804 631312074 /nfs/dbraw/zinc/31/20/74/631312074.db2.gz NYFUTRPCHRSZHK-UHFFFAOYSA-N 0 0 269.410 2.901 20 10 CFCDRN COc1cc(OC)c(CNc2ccc(N)cc2)c(OC)c1 ZINC000841040118 631318229 /nfs/dbraw/zinc/31/82/29/631318229.db2.gz JDQXUIIAOGWJBP-UHFFFAOYSA-N 0 0 288.347 2.907 20 10 CFCDRN COC1(CNC(=O)Nc2ccc(N)cc2)CCC(C)CC1 ZINC000841294415 631376073 /nfs/dbraw/zinc/37/60/73/631376073.db2.gz BSDBKYPACUKYKB-UHFFFAOYSA-N 0 0 291.395 2.986 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000841296213 631376900 /nfs/dbraw/zinc/37/69/00/631376900.db2.gz QSCHLUMFFGMYMG-AWEZNQCLSA-N 0 0 296.374 2.760 20 10 CFCDRN C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000841296509 631377476 /nfs/dbraw/zinc/37/74/76/631377476.db2.gz FPSRLALQHIWGRM-KCJUWKMLSA-N 0 0 271.324 2.759 20 10 CFCDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841298601 631377960 /nfs/dbraw/zinc/37/79/60/631377960.db2.gz BRTGATXBNKMAAH-SWLSCSKDSA-N 0 0 291.395 2.842 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H]2CCCC23CCOCC3)cc1 ZINC000841299419 631378214 /nfs/dbraw/zinc/37/82/14/631378214.db2.gz KIEZTCLABWLXMK-AWEZNQCLSA-N 0 0 289.379 2.740 20 10 CFCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000841298787 631378298 /nfs/dbraw/zinc/37/82/98/631378298.db2.gz GLCUSTWTZXVHRO-ZIAGYGMSSA-N 0 0 289.379 2.690 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841378784 631397889 /nfs/dbraw/zinc/39/78/89/631397889.db2.gz DSHBRHVTCRKAAX-INIZCTEOSA-N 0 0 292.423 2.772 20 10 CFCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000841459399 631408847 /nfs/dbraw/zinc/40/88/47/631408847.db2.gz CDIAELYLUIWWQP-BNUQVFHNSA-N 0 0 275.348 2.614 20 10 CFCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000841639042 631440315 /nfs/dbraw/zinc/44/03/15/631440315.db2.gz JEVNJBMEIANMTK-AWEZNQCLSA-N 0 0 297.402 2.914 20 10 CFCDRN CC1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841731331 631461667 /nfs/dbraw/zinc/46/16/67/631461667.db2.gz HDOHVXWHUBUHCY-UHFFFAOYSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841732518 631461747 /nfs/dbraw/zinc/46/17/47/631461747.db2.gz ULJDRKFUPFPCFJ-UKRRQHHQSA-N 0 0 289.423 2.937 20 10 CFCDRN CC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841744528 631462908 /nfs/dbraw/zinc/46/29/08/631462908.db2.gz PCDXTRFNRNYISG-SNVBAGLBSA-N 0 0 296.798 2.707 20 10 CFCDRN COC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744700 631463032 /nfs/dbraw/zinc/46/30/32/631463032.db2.gz KBVRCAVFAGDJRJ-ZJUUUORDSA-N 0 0 257.761 2.979 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)cc1[O-] ZINC000841744123 631463140 /nfs/dbraw/zinc/46/31/40/631463140.db2.gz FHQFTEJGFQSASS-CMPLNLGQSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)cc1[O-] ZINC000841752479 631465593 /nfs/dbraw/zinc/46/55/93/631465593.db2.gz AXUXJEHSOGTPKJ-KOLCDFICSA-N 0 0 291.782 2.977 20 10 CFCDRN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754548 631467215 /nfs/dbraw/zinc/46/72/15/631467215.db2.gz KRIZIIKYNKNFGT-MWODSPESSA-N 0 0 289.828 2.809 20 10 CFCDRN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841757952 631467630 /nfs/dbraw/zinc/46/76/30/631467630.db2.gz JGOKHOJMYDAGOW-WCQYABFASA-N 0 0 299.798 2.892 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000841798205 631472656 /nfs/dbraw/zinc/47/26/56/631472656.db2.gz DYMIPOORUGDJHK-AWEZNQCLSA-N 0 0 291.372 2.981 20 10 CFCDRN Cc1ccc(CCNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841827344 631477234 /nfs/dbraw/zinc/47/72/34/631477234.db2.gz MBGPTHUVQMHWBG-UHFFFAOYSA-N 0 0 297.402 2.662 20 10 CFCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccncc1 ZINC000841834182 631477980 /nfs/dbraw/zinc/47/79/80/631477980.db2.gz BKALTGIHZRVHJF-INIZCTEOSA-N 0 0 298.390 2.657 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841857371 631481687 /nfs/dbraw/zinc/48/16/87/631481687.db2.gz XFJHRHDUFLYPOX-DZGCQCFKSA-N 0 0 275.396 2.689 20 10 CFCDRN Cc1ccc(C(=O)O[C@@H]2CCCC(C)(C)C2=O)c(O)c1O ZINC000840218837 631489509 /nfs/dbraw/zinc/48/95/09/631489509.db2.gz DWTIGRRSFWOJEN-LLVKDONJSA-N 0 0 292.331 2.711 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC000841895005 631490265 /nfs/dbraw/zinc/49/02/65/631490265.db2.gz LPEWWQLUPNXGMM-LBPRGKRZSA-N 0 0 297.349 2.546 20 10 CFCDRN CC1(C)CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841907630 631493300 /nfs/dbraw/zinc/49/33/00/631493300.db2.gz PVDVMEHKHYPIPW-CQSZACIVSA-N 0 0 289.423 2.937 20 10 CFCDRN Nc1ccc(CCNC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000841955635 631495559 /nfs/dbraw/zinc/49/55/59/631495559.db2.gz ITFPJDRPJQHYMS-IAGOWNOFSA-N 0 0 299.418 2.641 20 10 CFCDRN Nc1ccc(CCNC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000841955636 631495749 /nfs/dbraw/zinc/49/57/49/631495749.db2.gz ITFPJDRPJQHYMS-IRXDYDNUSA-N 0 0 299.418 2.641 20 10 CFCDRN CC(C)(NC(=O)NCCc1ccc(N)cc1)C1CCC1 ZINC000841956080 631495861 /nfs/dbraw/zinc/49/58/61/631495861.db2.gz UNTATILPPRPJRN-UHFFFAOYSA-N 0 0 275.396 2.689 20 10 CFCDRN CC(C)CN(C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841954907 631495965 /nfs/dbraw/zinc/49/59/65/631495965.db2.gz REKJUIINCUCDJU-UHFFFAOYSA-N 0 0 277.412 2.887 20 10 CFCDRN Nc1ccc(CCNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000841958829 631496326 /nfs/dbraw/zinc/49/63/26/631496326.db2.gz TZRIPPRLRDSMAT-UHFFFAOYSA-N 0 0 287.407 2.928 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957294 631496475 /nfs/dbraw/zinc/49/64/75/631496475.db2.gz REZKKAKZWQAZBF-CYBMUJFWSA-N 0 0 275.396 2.643 20 10 CFCDRN C[C@@H](c1cccnc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956790 631496832 /nfs/dbraw/zinc/49/68/32/631496832.db2.gz IJBGFKMDAPTBIV-ZDUSSCGKSA-N 0 0 298.390 2.609 20 10 CFCDRN CC(C)(C)[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960815 631497262 /nfs/dbraw/zinc/49/72/62/631497262.db2.gz XLQVGNXVVBABOI-CQSZACIVSA-N 0 0 289.423 2.889 20 10 CFCDRN CCC(C)(C)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000811156032 631525446 /nfs/dbraw/zinc/52/54/46/631525446.db2.gz FPLBZSOTBMCGBP-SOFGYWHQSA-N 0 0 292.331 2.660 20 10 CFCDRN CC[C@@H](CN(CC)c1ccc(OC)c(OC)c1)OC ZINC000842151291 631553445 /nfs/dbraw/zinc/55/34/45/631553445.db2.gz AOJXAOGAVMTSQF-ZDUSSCGKSA-N 0 0 267.369 2.955 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cn[nH]c1 ZINC000811508169 631573552 /nfs/dbraw/zinc/57/35/52/631573552.db2.gz DEGNGOWGYRQPOL-UHFFFAOYSA-N 0 0 257.337 2.761 20 10 CFCDRN CC(C)[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811516496 631575775 /nfs/dbraw/zinc/57/57/75/631575775.db2.gz XBHUTPACWXWMAJ-ZDUSSCGKSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000811543721 631579015 /nfs/dbraw/zinc/57/90/15/631579015.db2.gz AEMHYOXHBXAEBW-ISVAXAHUSA-N 0 0 275.329 2.706 20 10 CFCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000811543724 631579117 /nfs/dbraw/zinc/57/91/17/631579117.db2.gz AEMHYOXHBXAEBW-SDBXPKJASA-N 0 0 275.329 2.706 20 10 CFCDRN COc1ccc(N2CCC(Nc3nccnc3C)CC2)cc1 ZINC000811799358 631624240 /nfs/dbraw/zinc/62/42/40/631624240.db2.gz URJFVQWQSVAZQP-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN COc1ccc(O)c(CNc2nc3ccccc3n2C)c1 ZINC000811806063 631624951 /nfs/dbraw/zinc/62/49/51/631624951.db2.gz IRZSENGFOWYLQX-UHFFFAOYSA-N 0 0 283.331 2.900 20 10 CFCDRN Cc1nccnc1NCc1c(O)ccc2c1CCCC2 ZINC000811808476 631625880 /nfs/dbraw/zinc/62/58/80/631625880.db2.gz KFMAUUUBQURXNN-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN COc1cccc(CNC(=O)c2cc3ccccc3[nH]2)c1O ZINC000155511233 650023714 /nfs/dbraw/zinc/02/37/14/650023714.db2.gz ISJRZDVVRWHCHA-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN CCOc1cccc(CNc2ccc3c(c2)nnn3C)c1O ZINC000842740550 631724287 /nfs/dbraw/zinc/72/42/87/631724287.db2.gz GOACQSYWIBXJAC-UHFFFAOYSA-N 0 0 298.346 2.685 20 10 CFCDRN COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000812511633 631727849 /nfs/dbraw/zinc/72/78/49/631727849.db2.gz JMYIMXANQLSKMG-UONOGXRCSA-N 0 0 292.423 2.596 20 10 CFCDRN O=C(Nc1cc2c(cn1)CCCC2)C1=CC(=O)CS1 ZINC000812735904 631765079 /nfs/dbraw/zinc/76/50/79/631765079.db2.gz HYDRTEHQLNNDPW-UHFFFAOYSA-N 0 0 274.345 2.980 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH+]1CC(C2CC2)C1 ZINC000812775382 631770930 /nfs/dbraw/zinc/77/09/30/631770930.db2.gz LPOWYRJIUKDJCF-UHFFFAOYSA-N 0 0 282.181 2.997 20 10 CFCDRN COCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000842891487 631775986 /nfs/dbraw/zinc/77/59/86/631775986.db2.gz UYLPGOQEHDTZCS-NSHDSACASA-N 0 0 294.351 2.768 20 10 CFCDRN COCC1(CN2CCc3cc(OC)ccc32)CCC1 ZINC000812829035 631792489 /nfs/dbraw/zinc/79/24/89/631792489.db2.gz NMLHYEZPJNBWCF-UHFFFAOYSA-N 0 0 261.365 2.874 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccccc1N ZINC000155745149 650030280 /nfs/dbraw/zinc/03/02/80/650030280.db2.gz XZAGALCJQSOBRX-UHFFFAOYSA-N 0 0 297.402 2.502 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC000843041136 631810955 /nfs/dbraw/zinc/81/09/55/631810955.db2.gz OVQHOTUKXZVCTM-HZMBPMFUSA-N 0 0 277.364 2.552 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000843043509 631811493 /nfs/dbraw/zinc/81/14/93/631811493.db2.gz VUPZIJNJTSCKBM-ZDUSSCGKSA-N 0 0 282.347 2.685 20 10 CFCDRN C[NH2+]C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843045277 631811988 /nfs/dbraw/zinc/81/19/88/631811988.db2.gz UBJXVBOPAUIAOZ-SNVBAGLBSA-N 0 0 286.778 2.616 20 10 CFCDRN Oc1cc2c(cc1CN1CCNc3ccccc31)OCO2 ZINC000843125113 631842984 /nfs/dbraw/zinc/84/29/84/631842984.db2.gz WPWUSQQMIWULGU-UHFFFAOYSA-N 0 0 284.315 2.553 20 10 CFCDRN CN1CCCc2cc(CNC(=O)OCCCF)ccc21 ZINC000841480122 631864619 /nfs/dbraw/zinc/86/46/19/631864619.db2.gz BQFHDMMLYMGYGM-UHFFFAOYSA-N 0 0 280.343 2.655 20 10 CFCDRN Nc1ccc(Cc2noc([C@H]3CC3(Cl)Cl)n2)cc1 ZINC000843159332 631870633 /nfs/dbraw/zinc/87/06/33/631870633.db2.gz PGRGJCLWHPVBPS-SECBINFHSA-N 0 0 284.146 2.904 20 10 CFCDRN Nc1ccc(Cc2noc(-c3cc(C4CC4)on3)n2)cc1 ZINC000843159287 631870679 /nfs/dbraw/zinc/87/06/79/631870679.db2.gz OELZYNPFKABLAY-UHFFFAOYSA-N 0 0 282.303 2.775 20 10 CFCDRN Nc1ccc(Cc2noc(/C=C/C3CCOCC3)n2)cc1 ZINC000843159277 631870750 /nfs/dbraw/zinc/87/07/50/631870750.db2.gz OCHHPGSURJWDTI-ZZXKWVIFSA-N 0 0 285.347 2.682 20 10 CFCDRN Cc1nnc2cc(N[C@H](C)c3ccc(N(C)C)cc3)ncn12 ZINC000840288719 631912825 /nfs/dbraw/zinc/91/28/25/631912825.db2.gz LVAHPIOFTHAMQL-LLVKDONJSA-N 0 0 296.378 2.672 20 10 CFCDRN CCOc1ccc(CNc2cncc(OCC)n2)c(O)c1 ZINC000843303104 631923236 /nfs/dbraw/zinc/92/32/36/631923236.db2.gz HIZKWHFJUNTRRF-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCCCC(=O)C1 ZINC000813488969 631926303 /nfs/dbraw/zinc/92/63/03/631926303.db2.gz KJXGTIPFOMJXCR-GFCCVEGCSA-N 0 0 275.348 2.548 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@]2(CCSC2)C1 ZINC000843418088 631948665 /nfs/dbraw/zinc/94/86/65/631948665.db2.gz PYHJCSCMGJVEGB-CQSZACIVSA-N 0 0 299.823 2.754 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000843417311 631949094 /nfs/dbraw/zinc/94/90/94/631949094.db2.gz APWLYTUTJSIEAV-AWEZNQCLSA-N 0 0 299.823 2.754 20 10 CFCDRN COc1ccc(CNc2cc(OC(C)C)ncn2)c(O)c1 ZINC000840296341 631957339 /nfs/dbraw/zinc/95/73/39/631957339.db2.gz PIYZRKUVCHHUGJ-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN CC(C)(C)[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F ZINC000843445927 631960952 /nfs/dbraw/zinc/96/09/52/631960952.db2.gz KMXPKNLZPQKCJD-GFCCVEGCSA-N 0 0 288.313 2.905 20 10 CFCDRN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000814178068 632024569 /nfs/dbraw/zinc/02/45/69/632024569.db2.gz AQFRBMPTTCCPNH-OAHLLOKOSA-N 0 0 298.789 2.712 20 10 CFCDRN C[N@@H+]1CC[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000814178067 632025020 /nfs/dbraw/zinc/02/50/20/632025020.db2.gz AQFRBMPTTCCPNH-HNNXBMFYSA-N 0 0 298.789 2.712 20 10 CFCDRN Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000814320520 632052321 /nfs/dbraw/zinc/05/23/21/632052321.db2.gz UKYJEZRSKXRTPL-SNVBAGLBSA-N 0 0 287.363 2.848 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C1 ZINC000843820402 632062295 /nfs/dbraw/zinc/06/22/95/632062295.db2.gz UELDOBVGJOOYSP-GFCCVEGCSA-N 0 0 275.348 2.500 20 10 CFCDRN CC1=C(C)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000843832443 632063976 /nfs/dbraw/zinc/06/39/76/632063976.db2.gz MMUVIDNBEMCHTM-CQSZACIVSA-N 0 0 289.375 2.893 20 10 CFCDRN COc1cccc(CNC(=O)/C=C/C2CCCC2)c1O ZINC000843832528 632064086 /nfs/dbraw/zinc/06/40/86/632064086.db2.gz OBEMROXTIHMBIO-MDZDMXLPSA-N 0 0 275.348 2.763 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(CC(F)F)C2)c(O)c1O ZINC000844007823 632095380 /nfs/dbraw/zinc/09/53/80/632095380.db2.gz WMJRVGKDRHTNES-UHFFFAOYSA-N 0 0 285.290 2.524 20 10 CFCDRN Cc1cc(Cn2nnc(-c3ccccc3)n2)ccc1N(C)C ZINC000814712333 632111699 /nfs/dbraw/zinc/11/16/99/632111699.db2.gz RWXDDOYXXGZDMM-UHFFFAOYSA-N 0 0 293.374 2.763 20 10 CFCDRN CN(C)c1ccc(Cn2c(=O)onc2-c2ccccc2)cc1 ZINC000814743884 632117022 /nfs/dbraw/zinc/11/70/22/632117022.db2.gz APWAIQJICMCZHQ-UHFFFAOYSA-N 0 0 295.342 2.618 20 10 CFCDRN CCN(Cc1cc2n(n1)CCC2)Cc1ccc(N(C)C)cc1 ZINC000844273146 632151527 /nfs/dbraw/zinc/15/15/27/632151527.db2.gz NZEPXZDRWXPDBG-UHFFFAOYSA-N 0 0 298.434 2.917 20 10 CFCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844281687 632154802 /nfs/dbraw/zinc/15/48/02/632154802.db2.gz OXAHJDVEMQYLIJ-QMMMGPOBSA-N 0 0 268.744 2.643 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000844304454 632163069 /nfs/dbraw/zinc/16/30/69/632163069.db2.gz FENCKAZZUTXNKN-JKSUJKDBSA-N 0 0 272.392 2.805 20 10 CFCDRN COc1ccc(N(C)Cc2cccnc2OC)cc1 ZINC000844354637 632177816 /nfs/dbraw/zinc/17/78/16/632177816.db2.gz DYWUTLOYMUYTCE-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000844354672 632177843 /nfs/dbraw/zinc/17/78/43/632177843.db2.gz GFECEXYBSPJIOP-MRXNPFEDSA-N 0 0 289.350 2.874 20 10 CFCDRN COc1ccc(N(C)Cc2cc(OC)ccn2)cc1 ZINC000844353700 632178171 /nfs/dbraw/zinc/17/81/71/632178171.db2.gz VWKLMCQFJFQALO-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN Cc1noc([C@H](C)NCc2ccc(N(C)C)c(C)c2)n1 ZINC000815088967 632199314 /nfs/dbraw/zinc/19/93/14/632199314.db2.gz MKHCJJIBRFEAGZ-NSHDSACASA-N 0 0 274.368 2.603 20 10 CFCDRN CCN(C)c1ccc(CN2CCOCC(F)(F)C2)cc1 ZINC000815121325 632206766 /nfs/dbraw/zinc/20/67/66/632206766.db2.gz ZJTPEFIAJJKSMK-UHFFFAOYSA-N 0 0 284.350 2.610 20 10 CFCDRN COc1ccc(N2CCC(NCC(C)(F)F)CC2)cc1 ZINC000815147294 632217247 /nfs/dbraw/zinc/21/72/47/632217247.db2.gz RRSZMBZZVQVXBI-UHFFFAOYSA-N 0 0 284.350 2.909 20 10 CFCDRN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815160402 632220123 /nfs/dbraw/zinc/22/01/23/632220123.db2.gz ZBOLLRNKUYPMQU-XPTSAGLGSA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000844661909 632276345 /nfs/dbraw/zinc/27/63/45/632276345.db2.gz AYYPUISZFZYFFP-ZCFIWIBFSA-N 0 0 296.676 2.796 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645412 632304274 /nfs/dbraw/zinc/30/42/74/632304274.db2.gz DVFFGHCTAIMOLO-DTWKUNHWSA-N 0 0 256.277 2.699 20 10 CFCDRN C/C=C(/CC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844856833 632323668 /nfs/dbraw/zinc/32/36/68/632323668.db2.gz VMNCIAFCTOAURY-NSIKDUERSA-N 0 0 290.407 2.946 20 10 CFCDRN CC/C(C)=C\C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844856375 632323770 /nfs/dbraw/zinc/32/37/70/632323770.db2.gz IMWVCMPTUOLWNZ-YPKPFQOOSA-N 0 0 290.407 2.946 20 10 CFCDRN CC1(C)CC(CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000815835653 632325172 /nfs/dbraw/zinc/32/51/72/632325172.db2.gz AEDDPISSHGIUKU-UHFFFAOYSA-N 0 0 263.337 2.540 20 10 CFCDRN COc1cccc(CNC(=O)CSCCC(C)C)c1O ZINC000105649532 632325243 /nfs/dbraw/zinc/32/52/43/632325243.db2.gz UJWSLUSMIOJCNB-UHFFFAOYSA-N 0 0 297.420 2.796 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)c1ccc2c(c1)OCO2 ZINC000815833197 632325357 /nfs/dbraw/zinc/32/53/57/632325357.db2.gz BPFOMSYSCPTUEO-LLVKDONJSA-N 0 0 299.326 2.541 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000844938568 632342971 /nfs/dbraw/zinc/34/29/71/632342971.db2.gz JDFPKIHRFOCOOC-SFHVURJKSA-N 0 0 299.370 2.833 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](F)C1 ZINC000844987057 632352566 /nfs/dbraw/zinc/35/25/66/632352566.db2.gz AEEMVZSLXGJZPB-CQSZACIVSA-N 0 0 293.386 2.705 20 10 CFCDRN C[C@@H](F)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845221863 632387683 /nfs/dbraw/zinc/38/76/83/632387683.db2.gz SXOQVSKICWLACU-MRVPVSSYSA-N 0 0 274.723 2.593 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000845421500 632431451 /nfs/dbraw/zinc/43/14/51/632431451.db2.gz PCZZEJPVBZDUST-XYPYZODXSA-N 0 0 292.331 2.650 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000816499031 632470901 /nfs/dbraw/zinc/47/09/01/632470901.db2.gz BNZLQIDTTXCNEX-LBPRGKRZSA-N 0 0 298.789 2.855 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000816499030 632471289 /nfs/dbraw/zinc/47/12/89/632471289.db2.gz BNZLQIDTTXCNEX-GFCCVEGCSA-N 0 0 298.789 2.855 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816533009 632479289 /nfs/dbraw/zinc/47/92/89/632479289.db2.gz GBOMUUWEVFYGRE-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(O)CCCCC1 ZINC000816545024 632480750 /nfs/dbraw/zinc/48/07/50/632480750.db2.gz AHENVRYTBTWDAN-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550839 632481647 /nfs/dbraw/zinc/48/16/47/632481647.db2.gz FACAZLTXORBPOT-CYBMUJFWSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816550734 632481963 /nfs/dbraw/zinc/48/19/63/632481963.db2.gz ABVSMFPVBNUYFI-CYBMUJFWSA-N 0 0 273.735 2.701 20 10 CFCDRN CCOC(=O)[C@H](C)NCc1ccc2ccccc2c1O ZINC000816589887 632490771 /nfs/dbraw/zinc/49/07/71/632490771.db2.gz LJHCCQQSFWZOTE-NSHDSACASA-N 0 0 273.332 2.587 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816610160 632493641 /nfs/dbraw/zinc/49/36/41/632493641.db2.gz ZXDXFYXQEIMJGV-SNVBAGLBSA-N 0 0 275.751 2.539 20 10 CFCDRN COc1cccc(CNCc2c(F)ccc(O)c2F)c1O ZINC000816610593 632494549 /nfs/dbraw/zinc/49/45/49/632494549.db2.gz QNJCJABNVBGAAB-UHFFFAOYSA-N 0 0 295.285 2.674 20 10 CFCDRN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816617454 632495916 /nfs/dbraw/zinc/49/59/16/632495916.db2.gz ZOOORIFSIPQKDX-GFCCVEGCSA-N 0 0 273.735 2.530 20 10 CFCDRN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816617455 632496250 /nfs/dbraw/zinc/49/62/50/632496250.db2.gz ZOOORIFSIPQKDX-LBPRGKRZSA-N 0 0 273.735 2.530 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1cnccc1Cl ZINC000816889093 632531359 /nfs/dbraw/zinc/53/13/59/632531359.db2.gz MFXAIDQUSIDLEL-UHFFFAOYSA-N 0 0 290.750 2.642 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C\COc1ccccc1 ZINC000816889170 632531366 /nfs/dbraw/zinc/53/13/66/632531366.db2.gz OPDLCLQHODDYKA-GHXNOFRVSA-N 0 0 297.354 2.986 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc2nc[nH]c2cc1F ZINC000816889365 632531438 /nfs/dbraw/zinc/53/14/38/632531438.db2.gz VNQVFPKHQNNBQU-UHFFFAOYSA-N 0 0 299.305 2.680 20 10 CFCDRN O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc(O)c1O ZINC000817223140 632574679 /nfs/dbraw/zinc/57/46/79/632574679.db2.gz KIOVUVPGXWKWSQ-LBPRGKRZSA-N 0 0 293.269 2.834 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1cccc(OC)c1O ZINC000845832323 632577630 /nfs/dbraw/zinc/57/76/30/632577630.db2.gz CABBKMPTQWHGME-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000845833409 632577652 /nfs/dbraw/zinc/57/76/52/632577652.db2.gz KZJFORMBLGFOKY-GJZGRUSLSA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc(N(C)Cc2nn(C)cc2Cl)cc1F ZINC000817274078 632591851 /nfs/dbraw/zinc/59/18/51/632591851.db2.gz ATYPBEFTFKGFLD-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[S@](C)=O ZINC000817298459 632598914 /nfs/dbraw/zinc/59/89/14/632598914.db2.gz MBHDPTWPODGKNH-VLIAUNLRSA-N 0 0 295.448 2.708 20 10 CFCDRN CC[C@@H](C)CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845996407 632609740 /nfs/dbraw/zinc/60/97/40/632609740.db2.gz PNRXUTWBQAEUJV-SECBINFHSA-N 0 0 291.800 2.511 20 10 CFCDRN CCc1nn(C)cc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000817345340 632610493 /nfs/dbraw/zinc/61/04/93/632610493.db2.gz IHNLANARUJHPBW-GDNBJRDFSA-N 0 0 293.370 2.816 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(C)c2Cl)cc1 ZINC000845997686 632611389 /nfs/dbraw/zinc/61/13/89/632611389.db2.gz CKNRBBDYYKSFBZ-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000817430530 632632540 /nfs/dbraw/zinc/63/25/40/632632540.db2.gz IYBHZKYTFDGMNK-MJBXVCDLSA-N 0 0 290.382 2.944 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000817445012 632636857 /nfs/dbraw/zinc/63/68/57/632636857.db2.gz DIABEIKMXITTMA-RISCZKNCSA-N 0 0 258.365 2.730 20 10 CFCDRN CCOc1cccc(CNc2cc(COC)ccn2)c1O ZINC000846116475 632638487 /nfs/dbraw/zinc/63/84/87/632638487.db2.gz BPPZFJSLVITKMD-UHFFFAOYSA-N 0 0 288.347 2.944 20 10 CFCDRN COCc1ccnc(NCc2c(O)cccc2OC)c1 ZINC000846117918 632639374 /nfs/dbraw/zinc/63/93/74/632639374.db2.gz RJHLZPSLQKOHGF-UHFFFAOYSA-N 0 0 274.320 2.554 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000846281395 632682196 /nfs/dbraw/zinc/68/21/96/632682196.db2.gz XKHCAFCYRUZGFH-BLLLJJGKSA-N 0 0 290.407 2.746 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846280615 632682879 /nfs/dbraw/zinc/68/28/79/632682879.db2.gz OBYTZDRRLCOVGF-CJNGLKHVSA-N 0 0 290.407 2.828 20 10 CFCDRN CO[C@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817762889 632709418 /nfs/dbraw/zinc/70/94/18/632709418.db2.gz ZBCFHIMAKNMOET-LLVKDONJSA-N 0 0 261.321 2.735 20 10 CFCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1cc(Cl)ccc1O ZINC000846474240 632716271 /nfs/dbraw/zinc/71/62/71/632716271.db2.gz SKWQIIHSGYAVGI-RNCFNFMXSA-N 0 0 285.771 2.723 20 10 CFCDRN CC1=C(C(=O)NCc2cc(Cl)ccc2O)SCCO1 ZINC000846474567 632716423 /nfs/dbraw/zinc/71/64/23/632716423.db2.gz VFKQLCBABMNKRQ-UHFFFAOYSA-N 0 0 299.779 2.657 20 10 CFCDRN CC(C)(C)C[C@@H](O)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476232 632716592 /nfs/dbraw/zinc/71/65/92/632716592.db2.gz KGONJQMTNHRDLN-LBPRGKRZSA-N 0 0 299.798 2.849 20 10 CFCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846475290 632716656 /nfs/dbraw/zinc/71/66/56/632716656.db2.gz BQYKGFNTMQWJGM-MFKMUULPSA-N 0 0 297.782 2.867 20 10 CFCDRN CC(C)[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475825 632716736 /nfs/dbraw/zinc/71/67/36/632716736.db2.gz KQYTZHCJCACNEE-SECBINFHSA-N 0 0 255.745 2.954 20 10 CFCDRN CCC(C)(C)OCC(=O)NCc1cc(Cl)ccc1O ZINC000846477166 632717269 /nfs/dbraw/zinc/71/72/69/632717269.db2.gz QKDHAFDXIDBPMB-UHFFFAOYSA-N 0 0 285.771 2.867 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1CC(F)(F)C1 ZINC000846477395 632717311 /nfs/dbraw/zinc/71/73/11/632717311.db2.gz SSZSIUSRGIGMDG-UHFFFAOYSA-N 0 0 275.682 2.707 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881439 632717672 /nfs/dbraw/zinc/71/76/72/632717672.db2.gz SJWABOVLZAWCPN-KOLCDFICSA-N 0 0 283.755 2.731 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCSC1 ZINC000846478020 632718163 /nfs/dbraw/zinc/71/81/63/632718163.db2.gz XRLBXBNEAQOMDC-SECBINFHSA-N 0 0 285.796 2.805 20 10 CFCDRN O=C(CCC1CCOCC1)NCc1cc(Cl)ccc1O ZINC000846477890 632718283 /nfs/dbraw/zinc/71/82/83/632718283.db2.gz WTZMMAAHWFVIAK-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN CCCc1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000846478672 632718503 /nfs/dbraw/zinc/71/85/03/632718503.db2.gz DDYHMOISIKQJPS-UHFFFAOYSA-N 0 0 293.754 2.651 20 10 CFCDRN CC[C@H]([NH2+]CCNC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951301 632751390 /nfs/dbraw/zinc/75/13/90/632751390.db2.gz DEDLSEAUSQYBJT-JTQLQIEISA-N 0 0 277.195 2.959 20 10 CFCDRN CCCC[C@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817962780 632762362 /nfs/dbraw/zinc/76/23/62/632762362.db2.gz PKUYFMLUGABZRG-GXSJLCMTSA-N 0 0 272.339 2.839 20 10 CFCDRN C[C@@]1(CCNC(=O)Cc2ccc(N)cc2)C[C@]1(F)Cl ZINC000846688000 632774113 /nfs/dbraw/zinc/77/41/13/632774113.db2.gz QFGXNTLTDINAEM-ZIAGYGMSSA-N 0 0 284.762 2.632 20 10 CFCDRN C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000817982249 632778793 /nfs/dbraw/zinc/77/87/93/632778793.db2.gz PZIPBSSQURXICC-XPTSAGLGSA-N 0 0 284.350 2.839 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818358874 632837364 /nfs/dbraw/zinc/83/73/64/632837364.db2.gz GTJKRYZJCLYWGU-MMWGEVLESA-N 0 0 262.309 2.750 20 10 CFCDRN COc1ccc(N(Cc2cnsn2)CC2CC2)cc1 ZINC000846956312 632858907 /nfs/dbraw/zinc/85/89/07/632858907.db2.gz HUIRPVSYCRSXAI-UHFFFAOYSA-N 0 0 275.377 2.963 20 10 CFCDRN CCC[C@H](C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000818545300 632863557 /nfs/dbraw/zinc/86/35/57/632863557.db2.gz WPYSPNXSSPIMNF-HNNXBMFYSA-N 0 0 262.397 3.000 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000818544785 632863583 /nfs/dbraw/zinc/86/35/83/632863583.db2.gz NROROMLCYMXFNT-LBPRGKRZSA-N 0 0 260.381 2.754 20 10 CFCDRN Cc1cc(CN2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000856732676 635843189 /nfs/dbraw/zinc/84/31/89/635843189.db2.gz YGOBVFUXYKJXKD-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)ccn1 ZINC000856731381 635843233 /nfs/dbraw/zinc/84/32/33/635843233.db2.gz NPDYIHQUIFKVHS-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631061 632884839 /nfs/dbraw/zinc/88/48/39/632884839.db2.gz BHMYPODHXAJSBL-RNCFNFMXSA-N 0 0 283.755 2.731 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)[O-] ZINC000818630646 632884878 /nfs/dbraw/zinc/88/48/78/632884878.db2.gz UVUJKJFKXHASJG-SNVBAGLBSA-N 0 0 285.771 2.882 20 10 CFCDRN CCC(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167959 632993892 /nfs/dbraw/zinc/99/38/92/632993892.db2.gz JPOWUVDLVJEKGB-UHFFFAOYSA-N 0 0 290.363 2.593 20 10 CFCDRN CC(=O)c1csc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000106908005 632994011 /nfs/dbraw/zinc/99/40/11/632994011.db2.gz CGAJXYCAIIHSOP-UHFFFAOYSA-N 0 0 289.356 2.929 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2CCCC2(C)C)c(O)c1O ZINC000819180891 633001588 /nfs/dbraw/zinc/00/15/88/633001588.db2.gz GNCSMRUUGWRBGA-LLVKDONJSA-N 0 0 277.364 2.962 20 10 CFCDRN C[Si](C)(C)CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000847589453 633005303 /nfs/dbraw/zinc/00/53/03/633005303.db2.gz JXOLRWQWRBIUTB-UHFFFAOYSA-N 0 0 295.455 2.875 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+](C)CC2CCOCC2)c1[O-] ZINC000107064852 633046742 /nfs/dbraw/zinc/04/67/42/633046742.db2.gz OTBAZIUKQNECOX-UHFFFAOYSA-N 0 0 295.354 2.592 20 10 CFCDRN CCOCC[C@@H](O)CNc1ccccc1OCC1CC1 ZINC000819451207 633166472 /nfs/dbraw/zinc/16/64/72/633166472.db2.gz LYHULEVSPIYVMZ-CQSZACIVSA-N 0 0 279.380 2.675 20 10 CFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(C)C ZINC000848100096 633202836 /nfs/dbraw/zinc/20/28/36/633202836.db2.gz ITTSUUJUUDJKBD-LLVKDONJSA-N 0 0 265.353 2.913 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000857079856 635926740 /nfs/dbraw/zinc/92/67/40/635926740.db2.gz AMAQNIHBDLOANH-BDAKNGLRSA-N 0 0 286.278 2.996 20 10 CFCDRN Cc1nn(C(C)C)cc1C(=O)Nc1ccc(N)cc1 ZINC000848392728 633247052 /nfs/dbraw/zinc/24/70/52/633247052.db2.gz CJJDQQOOQBZOEL-UHFFFAOYSA-N 0 0 258.325 2.607 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000848395003 633247869 /nfs/dbraw/zinc/24/78/69/633247869.db2.gz PVFSOMGDNCTSSW-QGZVFWFLSA-N 0 0 296.370 2.589 20 10 CFCDRN Cc1cc(Cl)cc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)c1O ZINC000848641178 633307006 /nfs/dbraw/zinc/30/70/06/633307006.db2.gz ZOQIHGHGETZWKW-LBPRGKRZSA-N 0 0 285.771 2.800 20 10 CFCDRN CCc1cccc(CN(C)Cc2nnc3ccccn32)c1O ZINC000848883154 633358220 /nfs/dbraw/zinc/35/82/20/633358220.db2.gz ADKVXZISTNQCRO-UHFFFAOYSA-N 0 0 296.374 2.629 20 10 CFCDRN C/C=C(/C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819585163 633395224 /nfs/dbraw/zinc/39/52/24/633395224.db2.gz XCCAGNKCKNHVHF-YLIUPVCFSA-N 0 0 288.391 2.604 20 10 CFCDRN C[C@H](Sc1ncc(Cl)s1)c1nnnn1C1CC1 ZINC000850000266 633786550 /nfs/dbraw/zinc/78/65/50/633786550.db2.gz OFTQNLHHLZJPPH-YFKPBYRVSA-N 0 0 287.801 2.971 20 10 CFCDRN CCCCNC(=O)CSc1ncc(Cl)s1 ZINC000849998193 633786823 /nfs/dbraw/zinc/78/68/23/633786823.db2.gz LCDZRKKQWQIPBM-UHFFFAOYSA-N 0 0 264.803 2.805 20 10 CFCDRN CCOC(=O)CCC(=O)CSc1ncc(Cl)s1 ZINC000850000252 633787011 /nfs/dbraw/zinc/78/70/11/633787011.db2.gz NXDLNLMTGDFNLG-UHFFFAOYSA-N 0 0 293.797 2.801 20 10 CFCDRN CC(C)NC(=O)NCCSc1ncc(Cl)s1 ZINC000850001695 633788014 /nfs/dbraw/zinc/78/80/14/633788014.db2.gz KHZFHMYQJPGMAW-UHFFFAOYSA-N 0 0 279.818 2.596 20 10 CFCDRN COc1ccnc(CNCc2ccc(N(C)C)cc2)c1F ZINC000850380551 633968040 /nfs/dbraw/zinc/96/80/40/633968040.db2.gz JAQCDBHVJKLNOG-UHFFFAOYSA-N 0 0 289.354 2.585 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850400532 633977844 /nfs/dbraw/zinc/97/78/44/633977844.db2.gz JRGGYOLCJCIATJ-OAHLLOKOSA-N 0 0 294.351 2.595 20 10 CFCDRN Cc1cn(C)nc1NCc1ccc(N(C)C)c(F)c1 ZINC000850418949 633984193 /nfs/dbraw/zinc/98/41/93/633984193.db2.gz FRBNGNMNFSEYMJ-UHFFFAOYSA-N 0 0 262.332 2.546 20 10 CFCDRN COC1CC(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000850481264 634012244 /nfs/dbraw/zinc/01/22/44/634012244.db2.gz FHUYOANOENYNQX-ZBOXLXRLSA-N 0 0 267.344 2.997 20 10 CFCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000850492784 634016855 /nfs/dbraw/zinc/01/68/55/634016855.db2.gz DKBVKLPQRUKFOJ-ABAIWWIYSA-N 0 0 297.370 2.624 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850498872 634018732 /nfs/dbraw/zinc/01/87/32/634018732.db2.gz FDXJZWFJWRAUQH-XDTLVQLUSA-N 0 0 290.342 2.870 20 10 CFCDRN C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)ccc1O ZINC000850499230 634019790 /nfs/dbraw/zinc/01/97/90/634019790.db2.gz LKQNFTMLBOWCNT-HOTUBEGUSA-N 0 0 292.770 2.994 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2cn(CC)nn2)cc1 ZINC000850522090 634030746 /nfs/dbraw/zinc/03/07/46/634030746.db2.gz BMWDXBDTFLUSEM-ZDUSSCGKSA-N 0 0 287.411 2.605 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850533863 634040238 /nfs/dbraw/zinc/04/02/38/634040238.db2.gz CRPDQOMQEGRELO-NQBHXWOUSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545479 634045981 /nfs/dbraw/zinc/04/59/81/634045981.db2.gz OWDMIXSEAFQYFU-ZYHUDNBSSA-N 0 0 267.344 2.591 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(F)cc(F)c1[O-] ZINC000850546231 634047459 /nfs/dbraw/zinc/04/74/59/634047459.db2.gz XVBZUULNCPWGTA-MWLCHTKSSA-N 0 0 285.334 2.730 20 10 CFCDRN CC[C@H]([NH2+]CCc1cncc(C)n1)c1ccc(F)cc1[O-] ZINC000850549285 634048562 /nfs/dbraw/zinc/04/85/62/634048562.db2.gz FJJGVEQLUDNYBF-HNNXBMFYSA-N 0 0 289.354 2.913 20 10 CFCDRN C[C@H](NCc1ncccn1)c1cc2c(cc1O)CCCC2 ZINC000850552934 634050703 /nfs/dbraw/zinc/05/07/03/634050703.db2.gz RCLREZZOQNJJMF-LBPRGKRZSA-N 0 0 283.375 2.912 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571986 634057161 /nfs/dbraw/zinc/05/71/61/634057161.db2.gz FXAZUCYWWPVFRQ-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850579579 634059410 /nfs/dbraw/zinc/05/94/10/634059410.db2.gz ZGVFSWZCXGTIRV-FXQIFTODSA-N 0 0 276.163 2.873 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)CCCF)C2)cc1 ZINC000851098179 634220848 /nfs/dbraw/zinc/22/08/48/634220848.db2.gz CIJDQBLAXZPBLL-ZDUSSCGKSA-N 0 0 295.354 2.814 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(F)cc1[O-] ZINC000853240204 634948565 /nfs/dbraw/zinc/94/85/65/634948565.db2.gz LRGYAAJJTGEPQF-CQSZACIVSA-N 0 0 277.343 2.989 20 10 CFCDRN Cc1cc(O)c(C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000854244282 635270572 /nfs/dbraw/zinc/27/05/72/635270572.db2.gz YAJQKXGEGKGSQE-UHFFFAOYSA-N 0 0 279.380 2.942 20 10 CFCDRN CCc1nocc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854324096 635290148 /nfs/dbraw/zinc/29/01/48/635290148.db2.gz GCSCOZBPRBARGM-UHFFFAOYSA-N 0 0 287.363 2.575 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c(O)c1O ZINC000855002075 635438070 /nfs/dbraw/zinc/43/80/70/635438070.db2.gz NSZBZGSWICRUBI-SCZZXKLOSA-N 0 0 287.319 2.505 20 10 CFCDRN CCCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232394 635490015 /nfs/dbraw/zinc/49/00/15/635490015.db2.gz RCFCJUQPNCFVFB-CQSZACIVSA-N 0 0 290.407 2.970 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000113418763 635572905 /nfs/dbraw/zinc/57/29/05/635572905.db2.gz OOPLJKLOXLPQME-BBRMVZONSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O ZINC000113418766 635573091 /nfs/dbraw/zinc/57/30/91/635573091.db2.gz OOPLJKLOXLPQME-CZUORRHYSA-N 0 0 291.391 2.946 20 10 CFCDRN COc1ccc(O)c(CNc2ccnc(C(C)C)n2)c1 ZINC000114450748 635833976 /nfs/dbraw/zinc/83/39/76/635833976.db2.gz REAMVNGYQSEIFH-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN CCCCCCC(=O)NCc1cc(OC)ccc1O ZINC000114542681 635838820 /nfs/dbraw/zinc/83/88/20/635838820.db2.gz XCVDSEACXVCWOS-UHFFFAOYSA-N 0 0 265.353 2.987 20 10 CFCDRN COc1ccc(N2CCN(Cc3ccnc(C)c3)CC2)cc1 ZINC000856717981 635840242 /nfs/dbraw/zinc/84/02/42/635840242.db2.gz LPSOKSQARRNCAG-UHFFFAOYSA-N 0 0 297.402 2.721 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCCC(C)C)c1 ZINC000114587083 635848083 /nfs/dbraw/zinc/84/80/83/635848083.db2.gz NFRNLOMTDSYLBE-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN COCC1(C(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000856995429 635902480 /nfs/dbraw/zinc/90/24/80/635902480.db2.gz WJGMNOUKVSXTJF-UHFFFAOYSA-N 0 0 262.353 2.804 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC(C)C2)c1 ZINC000857084161 635927018 /nfs/dbraw/zinc/92/70/18/635927018.db2.gz JQVMDHSDEITNGX-MOENNCHZSA-N 0 0 277.364 2.876 20 10 CFCDRN Cn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)c(Cl)n1 ZINC000857203180 635945606 /nfs/dbraw/zinc/94/56/06/635945606.db2.gz YXIZPUSCMISJBJ-MDWZMJQESA-N 0 0 299.761 2.907 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCCCS2)cc1 ZINC000158306371 650223849 /nfs/dbraw/zinc/22/38/49/650223849.db2.gz LAVHQQQZWUVSOM-GFCCVEGCSA-N 0 0 265.382 2.676 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N(CCC1CC1)CC1CC1 ZINC000857334397 635967029 /nfs/dbraw/zinc/96/70/29/635967029.db2.gz XWPMIBCZNFJJDY-UHFFFAOYSA-N 0 0 293.338 2.889 20 10 CFCDRN Cc1occc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115282267 635982561 /nfs/dbraw/zinc/98/25/61/635982561.db2.gz FGBFAZWNRFDISX-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1O ZINC000857548864 635983585 /nfs/dbraw/zinc/98/35/85/635983585.db2.gz YCWGRGOUSCGXPJ-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC2)c1 ZINC000858111386 636129339 /nfs/dbraw/zinc/12/93/39/636129339.db2.gz DNUQRNWRUHJFEW-UHFFFAOYSA-N 0 0 282.343 2.799 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccco2)c1 ZINC000858135257 636135412 /nfs/dbraw/zinc/13/54/12/636135412.db2.gz QAKKSKVFMPGNPW-GFCCVEGCSA-N 0 0 288.347 2.724 20 10 CFCDRN CN(C)c1cc(F)c(C[NH2+]CCOCC2CC2)cc1F ZINC000858131841 636135727 /nfs/dbraw/zinc/13/57/27/636135727.db2.gz KDPXMLDJVGVXKZ-UHFFFAOYSA-N 0 0 284.350 2.547 20 10 CFCDRN CCc1cc(NCc2cc(F)c(N(C)C)cc2F)n(C)n1 ZINC000858149393 636140910 /nfs/dbraw/zinc/14/09/10/636140910.db2.gz JEQAPRLSUJNALV-UHFFFAOYSA-N 0 0 294.349 2.939 20 10 CFCDRN CN(C)c1cc(F)c(CNc2cnccc2CO)cc1F ZINC000858153112 636142255 /nfs/dbraw/zinc/14/22/55/636142255.db2.gz HMLCPXZCDWBWFQ-UHFFFAOYSA-N 0 0 293.317 2.530 20 10 CFCDRN CCn1nccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858196908 636153592 /nfs/dbraw/zinc/15/35/92/636153592.db2.gz YIYGOCSDZYLROR-UHFFFAOYSA-N 0 0 294.349 2.537 20 10 CFCDRN CC(C)=CCCNC(=O)NCc1cc(C)ccc1O ZINC000858387310 636217622 /nfs/dbraw/zinc/21/76/22/636217622.db2.gz DUVXLAKGAYOPGI-UHFFFAOYSA-N 0 0 262.353 2.856 20 10 CFCDRN CCN(C)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858387147 636217736 /nfs/dbraw/zinc/21/77/36/636217736.db2.gz YXCHIHRITJYVHJ-UHFFFAOYSA-N 0 0 284.359 2.999 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1c(F)cccc1Cl ZINC000158897259 650240670 /nfs/dbraw/zinc/24/06/70/650240670.db2.gz IEPNJRFAPALRGM-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)sc1C ZINC000158930291 650241972 /nfs/dbraw/zinc/24/19/72/650241972.db2.gz VSSJKFNHGJETGM-UHFFFAOYSA-N 0 0 277.345 2.706 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC2(F)F)c1 ZINC000858459642 636251451 /nfs/dbraw/zinc/25/14/51/636251451.db2.gz HCYZXVGPVMDIFH-LBPRGKRZSA-N 0 0 284.306 2.688 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858547099 636288029 /nfs/dbraw/zinc/28/80/29/636288029.db2.gz JDTRFLHOROACHS-CCUNJIBTSA-N 0 0 292.335 2.519 20 10 CFCDRN Cc1oc(C)c(C(=O)NCc2ccc(O)c(O)c2)c1C ZINC000159016550 650245039 /nfs/dbraw/zinc/24/50/39/650245039.db2.gz JDJBOZMCJRQDPE-UHFFFAOYSA-N 0 0 275.304 2.546 20 10 CFCDRN O=C(Cc1cccc(Cl)c1)NCc1ccc(O)c(O)c1 ZINC000159040057 650245775 /nfs/dbraw/zinc/24/57/75/650245775.db2.gz LNUUUEBKJDJNQF-UHFFFAOYSA-N 0 0 291.734 2.610 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccs1 ZINC000159105105 650247155 /nfs/dbraw/zinc/24/71/55/650247155.db2.gz DNHINHWJSMOLGX-VIFPVBQESA-N 0 0 277.345 2.579 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000159094637 650247721 /nfs/dbraw/zinc/24/77/21/650247721.db2.gz AZCCVGKGAOIFKD-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CCCOC(=O)NCCCSc1nccs1 ZINC000858980198 636399874 /nfs/dbraw/zinc/39/98/74/636399874.db2.gz CYORPLGHRKGZBF-UHFFFAOYSA-N 0 0 260.384 2.762 20 10 CFCDRN C[C@@H](NCc1cc(Cl)n(C)n1)c1ccc(N(C)C)cc1 ZINC000859257908 636524163 /nfs/dbraw/zinc/52/41/63/636524163.db2.gz HSZBZJTUKKQURN-LLVKDONJSA-N 0 0 292.814 2.990 20 10 CFCDRN CCC[C@@H](OCC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000859420152 636561995 /nfs/dbraw/zinc/56/19/95/636561995.db2.gz SQTZZVONFVAOHD-MRXNPFEDSA-N 0 0 292.423 2.882 20 10 CFCDRN C[C@H](Sc1nccs1)c1nnnn1-c1ccccc1 ZINC000048876263 650281989 /nfs/dbraw/zinc/28/19/89/650281989.db2.gz IPOOIMXIDSFDDD-VIFPVBQESA-N 0 0 289.389 2.972 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)C(F)(F)F)c1 ZINC000860241642 636835979 /nfs/dbraw/zinc/83/59/79/636835979.db2.gz LURJJIKMKWRINP-QMMMGPOBSA-N 0 0 291.269 2.606 20 10 CFCDRN Cc1cncn1CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000860834461 636984877 /nfs/dbraw/zinc/98/48/77/636984877.db2.gz NRDFZEFYRUOTFX-UHFFFAOYSA-N 0 0 297.358 2.906 20 10 CFCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1O ZINC000117881594 637038855 /nfs/dbraw/zinc/03/88/55/637038855.db2.gz OIHAOVBNNOOVSL-INIZCTEOSA-N 0 0 285.343 2.738 20 10 CFCDRN CC1(C)CC(C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000862025978 637265861 /nfs/dbraw/zinc/26/58/61/637265861.db2.gz DMWVFCNKCPNMPU-UHFFFAOYSA-N 0 0 284.359 2.993 20 10 CFCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1ccc2cccnc2c1O ZINC000862026169 637266028 /nfs/dbraw/zinc/26/60/28/637266028.db2.gz HOWZXFLZYZHWOL-KCQAQPDRSA-N 0 0 296.370 2.993 20 10 CFCDRN CC1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862027554 637266961 /nfs/dbraw/zinc/26/69/61/637266961.db2.gz WXDSENKAZPMROC-UHFFFAOYSA-N 0 0 270.332 2.747 20 10 CFCDRN O=C(C=C1CCC1)NCc1ccc2cccnc2c1O ZINC000862027069 637266964 /nfs/dbraw/zinc/26/69/64/637266964.db2.gz ILAVKPZKFKFHFM-UHFFFAOYSA-N 0 0 268.316 2.667 20 10 CFCDRN CN(C)c1cc(F)c(CN(C)Cc2ccon2)cc1F ZINC000862246765 637298244 /nfs/dbraw/zinc/29/82/44/637298244.db2.gz CHZFNDQRCRLGRG-UHFFFAOYSA-N 0 0 281.306 2.651 20 10 CFCDRN COCC1=CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862332719 637322844 /nfs/dbraw/zinc/32/28/44/637322844.db2.gz XPFHZJMOMZMDSC-UHFFFAOYSA-N 0 0 296.361 2.809 20 10 CFCDRN CC[C@H](C)[N@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000862387137 637349478 /nfs/dbraw/zinc/34/94/78/637349478.db2.gz HLZNZQBZZHDYPO-VIFPVBQESA-N 0 0 275.751 2.778 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCC[C@@H](F)C2)cc1F ZINC000862401370 637359755 /nfs/dbraw/zinc/35/97/55/637359755.db2.gz CJMGEBRUMLIHGH-LLVKDONJSA-N 0 0 272.314 2.965 20 10 CFCDRN COc1cccc(O)c1CN1Cc2ccc(O)cc2C1 ZINC000862449982 637389263 /nfs/dbraw/zinc/38/92/63/637389263.db2.gz MMSJSHDEJJOVOB-UHFFFAOYSA-N 0 0 271.316 2.622 20 10 CFCDRN Oc1cccc(Br)c1CN1CC2(C1)CCCO2 ZINC000862484583 637399225 /nfs/dbraw/zinc/39/92/25/637399225.db2.gz VNNMXNRVTUHPIP-UHFFFAOYSA-N 0 0 298.180 2.520 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000862529535 637408869 /nfs/dbraw/zinc/40/88/69/637408869.db2.gz MMKDBHPAFFRQDC-YGRLFVJLSA-N 0 0 285.746 2.842 20 10 CFCDRN COc1ccc(O)c(CN2Cc3cccc(OC)c3C2)c1 ZINC000862529831 637409451 /nfs/dbraw/zinc/40/94/51/637409451.db2.gz OTBQAYNDIOUSFA-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC(F)(F)CC1 ZINC000862714370 637472116 /nfs/dbraw/zinc/47/21/16/637472116.db2.gz HCEHRBNAKSBCFS-HWKANZROSA-N 0 0 297.301 2.759 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC23CC3)c1 ZINC000862753833 637478851 /nfs/dbraw/zinc/47/88/51/637478851.db2.gz ILAHLTQPQJBNRO-ZDUSSCGKSA-N 0 0 259.349 2.897 20 10 CFCDRN CCC(C)(C)OCC(=O)NCc1cc(C)ccc1O ZINC000862754990 637479535 /nfs/dbraw/zinc/47/95/35/637479535.db2.gz MRCOISVJRBBEAA-UHFFFAOYSA-N 0 0 265.353 2.522 20 10 CFCDRN CO[C@H]1CCC[C@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862755840 637480710 /nfs/dbraw/zinc/48/07/10/637480710.db2.gz ZNWXAPHLCADHME-JSGCOSHPSA-N 0 0 277.364 2.522 20 10 CFCDRN CC[C@H]1C[C@H](CC(=O)NCc2cc(C)ccc2O)CCO1 ZINC000862757593 637480926 /nfs/dbraw/zinc/48/09/26/637480926.db2.gz ZIXWCWDXOGVAJP-HIFRSBDPSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ncccc2F)c1 ZINC000862756107 637481237 /nfs/dbraw/zinc/48/12/37/637481237.db2.gz QJYWBHLDINXWMM-LLVKDONJSA-N 0 0 288.322 2.655 20 10 CFCDRN Cc1csc(CCC(=O)NCc2cc(C)ccc2O)n1 ZINC000862757321 637481441 /nfs/dbraw/zinc/48/14/41/637481441.db2.gz PAJFFYIGZCZGHG-UHFFFAOYSA-N 0 0 290.388 2.715 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(NC3CC3)nc2)c1 ZINC000862759216 637481784 /nfs/dbraw/zinc/48/17/84/637481784.db2.gz YNMHGLNKQGHBGP-UHFFFAOYSA-N 0 0 297.358 2.600 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cnn(C(C)(C)C)c2)c1 ZINC000862758693 637482034 /nfs/dbraw/zinc/48/20/34/637482034.db2.gz HPIFCDFWWHMZKH-UHFFFAOYSA-N 0 0 287.363 2.582 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2ccco2)c1 ZINC000862759352 637482388 /nfs/dbraw/zinc/48/23/88/637482388.db2.gz CIVVIRPGHIGZCO-LLVKDONJSA-N 0 0 259.305 2.714 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2scnc2C2CC2)c1 ZINC000862758443 637482583 /nfs/dbraw/zinc/48/25/83/637482583.db2.gz ZJIFOYVFPYYDMM-UHFFFAOYSA-N 0 0 288.372 2.965 20 10 CFCDRN c1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000075670022 650343559 /nfs/dbraw/zinc/34/35/59/650343559.db2.gz WEOMHTBBFAZGMA-UHFFFAOYSA-N 0 0 254.337 2.689 20 10 CFCDRN Cc1cc(CN2C(=O)N[C@@H](C)C2=O)c(C)n1-c1ccccc1 ZINC000863532193 637686209 /nfs/dbraw/zinc/68/62/09/637686209.db2.gz JZNWTZPEOORLDQ-LBPRGKRZSA-N 0 0 297.358 2.534 20 10 CFCDRN CN(CC(=O)N1CCCc2ccccc21)c1ccc(N)cc1 ZINC000863555835 637694195 /nfs/dbraw/zinc/69/41/95/637694195.db2.gz JEIMPRWCAOHVEZ-UHFFFAOYSA-N 0 0 295.386 2.684 20 10 CFCDRN CN(Cc1nc(C2CCCC2)no1)c1ccc(N)cc1 ZINC000863558646 637695983 /nfs/dbraw/zinc/69/59/83/637695983.db2.gz RDCIQPUNZUCKJY-UHFFFAOYSA-N 0 0 272.352 2.946 20 10 CFCDRN CN(CCC1SCCS1)c1ccc(N)cc1 ZINC000863558535 637696138 /nfs/dbraw/zinc/69/61/38/637696138.db2.gz MNFZFYIBJJDUJT-UHFFFAOYSA-N 0 0 254.424 2.901 20 10 CFCDRN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863557854 637696319 /nfs/dbraw/zinc/69/63/19/637696319.db2.gz XYZLDLYPQIFRAB-CZUORRHYSA-N 0 0 289.423 2.742 20 10 CFCDRN CC(C)N(C(=O)CN(C)c1ccc(N)cc1)C1CCCC1 ZINC000863557407 637696450 /nfs/dbraw/zinc/69/64/50/637696450.db2.gz OFSKLRMEEZNZDU-UHFFFAOYSA-N 0 0 289.423 2.885 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC000863738848 637765633 /nfs/dbraw/zinc/76/56/33/637765633.db2.gz FSUQRPXZAGLUFN-GXTWGEPZSA-N 0 0 277.364 2.552 20 10 CFCDRN CC(C)N(Cc1ccccn1)C(=O)c1cccc(O)c1O ZINC000863943107 637818794 /nfs/dbraw/zinc/81/87/94/637818794.db2.gz OANAZKYDIXCXKV-UHFFFAOYSA-N 0 0 286.331 2.544 20 10 CFCDRN C[C@H]1C[C@H]1NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000864468562 637994580 /nfs/dbraw/zinc/99/45/80/637994580.db2.gz KXWRRNKHIABJCO-QUBYGPBYSA-N 0 0 288.178 2.721 20 10 CFCDRN O=C(CSc1nccs1)OCc1ccccc1 ZINC000076412150 650387607 /nfs/dbraw/zinc/38/76/07/650387607.db2.gz FCKRTMBMHJURDJ-UHFFFAOYSA-N 0 0 265.359 2.979 20 10 CFCDRN Cc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000864785723 638091941 /nfs/dbraw/zinc/09/19/41/638091941.db2.gz GMPBTRXZWFEOQT-UHFFFAOYSA-N 0 0 299.374 2.854 20 10 CFCDRN CN(C)c1cc(F)c(CNc2nc(C3CC3)no2)cc1F ZINC000865291368 638260029 /nfs/dbraw/zinc/26/00/29/638260029.db2.gz WDTYFWBFEWVOHQ-UHFFFAOYSA-N 0 0 294.305 2.903 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc([C@H]3C[C@H]3C)o2)c1 ZINC000865295810 638262450 /nfs/dbraw/zinc/26/24/50/638262450.db2.gz LFIROGGOTFAAOB-KOLCDFICSA-N 0 0 259.309 2.819 20 10 CFCDRN CCSCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000865395346 638305589 /nfs/dbraw/zinc/30/55/89/638305589.db2.gz PBUITGDTURQICF-UHFFFAOYSA-N 0 0 269.366 2.629 20 10 CFCDRN COC(C)(C)c1nsc(NCc2ccccc2O)n1 ZINC000865487468 638372537 /nfs/dbraw/zinc/37/25/37/638372537.db2.gz PGSDPNYKDAAWCN-UHFFFAOYSA-N 0 0 279.365 2.737 20 10 CFCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)cc1 ZINC000120623030 638416761 /nfs/dbraw/zinc/41/67/61/638416761.db2.gz AJAOPVQSMCKAOO-STQMWFEESA-N 0 0 275.396 2.835 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@]23C[C@H]2CCCC3)c1 ZINC000865703718 638525934 /nfs/dbraw/zinc/52/59/34/638525934.db2.gz LQPSGIKEVFODTA-BXUZGUMPSA-N 0 0 262.309 2.723 20 10 CFCDRN Oc1cccc2c1CN(c1cc(NCC3CC3)ncn1)C2 ZINC000866116681 638745300 /nfs/dbraw/zinc/74/53/00/638745300.db2.gz AURGJZGDAPFVAO-UHFFFAOYSA-N 0 0 282.347 2.524 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](O)C(F)(F)F ZINC000866464826 638825857 /nfs/dbraw/zinc/82/58/57/638825857.db2.gz YZVBBELONLDSJN-CPZGKSPBSA-N 0 0 299.239 2.633 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)cc1[O-] ZINC000866634132 638858522 /nfs/dbraw/zinc/85/85/22/638858522.db2.gz OVTXUQLJCHHVTP-GXFFZTMASA-N 0 0 275.327 2.914 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC000866765077 638874286 /nfs/dbraw/zinc/87/42/86/638874286.db2.gz QZRGGTFOFANYLI-GSZDYRQJSA-N 0 0 289.375 2.870 20 10 CFCDRN Cc1ccc(O)c(CNS(=O)(=O)C2CCC(C)CC2)c1 ZINC000867559203 638885148 /nfs/dbraw/zinc/88/51/48/638885148.db2.gz ILRNLUKGRZIJID-UHFFFAOYSA-N 0 0 297.420 2.699 20 10 CFCDRN COc1ccc(N(C)Cc2cn3cccnc3n2)cc1F ZINC000121823326 638897351 /nfs/dbraw/zinc/89/73/51/638897351.db2.gz UYMAZPBLKXWLML-UHFFFAOYSA-N 0 0 286.310 2.513 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC=CC1 ZINC000121820935 638897387 /nfs/dbraw/zinc/89/73/87/638897387.db2.gz FKIGLVWSTXVIMN-UHFFFAOYSA-N 0 0 283.375 2.581 20 10 CFCDRN C[C@@H](NS(=O)(=O)C1CCC(C)CC1)c1ccccc1O ZINC000867834487 638900215 /nfs/dbraw/zinc/90/02/15/638900215.db2.gz JQIMHQWNQGXPOQ-OTTFEQOBSA-N 0 0 297.420 2.951 20 10 CFCDRN CCC(C)(C)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834482 638900281 /nfs/dbraw/zinc/90/02/81/638900281.db2.gz JJZDGALPHFJCQU-LLVKDONJSA-N 0 0 285.409 2.809 20 10 CFCDRN CC(C)C1(S(=O)(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000867836528 638900705 /nfs/dbraw/zinc/90/07/05/638900705.db2.gz WKTQUBZTDKERCV-NSHDSACASA-N 0 0 283.393 2.561 20 10 CFCDRN Cc1occc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868128150 638924212 /nfs/dbraw/zinc/92/42/12/638924212.db2.gz KKQGNUJHIIBYPW-SNVBAGLBSA-N 0 0 274.320 2.854 20 10 CFCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868363988 638940465 /nfs/dbraw/zinc/94/04/65/638940465.db2.gz CAACLCMXZZKCQK-MNOVXSKESA-N 0 0 262.353 2.799 20 10 CFCDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868399289 638942801 /nfs/dbraw/zinc/94/28/01/638942801.db2.gz CSGBJPCTBCMJQD-AVGNSLFASA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868467082 638947428 /nfs/dbraw/zinc/94/74/28/638947428.db2.gz YNIXTCBKAIPVAA-RNJOBUHISA-N 0 0 292.379 2.708 20 10 CFCDRN C[C@H](NC(=O)NC1CC(F)(F)C1)c1ccccc1O ZINC000868541211 638954596 /nfs/dbraw/zinc/95/45/96/638954596.db2.gz QCJWVXOABWVWBA-QMMMGPOBSA-N 0 0 270.279 2.550 20 10 CFCDRN Cc1cccnc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868562327 638956590 /nfs/dbraw/zinc/95/65/90/638956590.db2.gz ZLHSHTDCNYWPKZ-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN CC[C@H](C)[C@H](CNC(=O)N[C@H](C)c1ccccc1O)OC ZINC000868664054 638967309 /nfs/dbraw/zinc/96/73/09/638967309.db2.gz VDNVJGPZPGHLCD-ZOWXZIJZSA-N 0 0 294.395 2.814 20 10 CFCDRN CO[C@H]([C@@H](C)NC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868681322 638968592 /nfs/dbraw/zinc/96/85/92/638968592.db2.gz GFBFMWDKPYFCQW-UEKVPHQBSA-N 0 0 292.379 2.566 20 10 CFCDRN C[C@H](NC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1O ZINC000868705585 638971286 /nfs/dbraw/zinc/97/12/86/638971286.db2.gz GAGZKMYMIYMLHG-XQHKEYJVSA-N 0 0 292.379 2.566 20 10 CFCDRN CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000868718573 638972591 /nfs/dbraw/zinc/97/25/91/638972591.db2.gz ZEGFASOXJDCWDK-YNEHKIRRSA-N 0 0 292.379 2.710 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000207514318 638976659 /nfs/dbraw/zinc/97/66/59/638976659.db2.gz HYRSVUOIUALHGB-NTMALXAHSA-N 0 0 269.300 2.774 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1O ZINC000868812842 638981739 /nfs/dbraw/zinc/98/17/39/638981739.db2.gz MGXONEZLYRRWBX-QHUBEEEXSA-N 0 0 292.379 2.564 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000868938670 638993252 /nfs/dbraw/zinc/99/32/52/638993252.db2.gz WFRQBYHHCJNDAY-SDJAHQOYSA-N 0 0 296.370 2.849 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000869147251 639045748 /nfs/dbraw/zinc/04/57/48/639045748.db2.gz OYMMWFMQGACZIY-NZBQSGDWSA-N 0 0 279.767 2.954 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000869147254 639046194 /nfs/dbraw/zinc/04/61/94/639046194.db2.gz OYMMWFMQGACZIY-YJRXYDGGSA-N 0 0 279.767 2.954 20 10 CFCDRN CCO[C@H](C(=O)NCc1cc(C)ccc1O)C1CCCC1 ZINC000869410251 639215281 /nfs/dbraw/zinc/21/52/81/639215281.db2.gz IZPXSCCOFAOFGN-INIZCTEOSA-N 0 0 291.391 2.912 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2[nH]cnc2C(C)(C)C)c1 ZINC000869411611 639216356 /nfs/dbraw/zinc/21/63/56/639216356.db2.gz SAVIUQOIIZSAOV-UHFFFAOYSA-N 0 0 287.363 2.651 20 10 CFCDRN COc1cccc(CNc2ccc3c(c2)CCC(=O)N3)c1O ZINC000122584328 639225661 /nfs/dbraw/zinc/22/56/61/639225661.db2.gz SHYMESSEPZFYKH-UHFFFAOYSA-N 0 0 298.342 2.898 20 10 CFCDRN COC(=O)CCCN(C)c1ccc(OC(C)C)cc1 ZINC000191580098 650512332 /nfs/dbraw/zinc/51/23/32/650512332.db2.gz LNMACNVPLCEMIS-UHFFFAOYSA-N 0 0 265.353 2.863 20 10 CFCDRN Cc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000018215114 639684155 /nfs/dbraw/zinc/68/41/55/639684155.db2.gz ZMEAIZMZJYAMTB-UHFFFAOYSA-N 0 0 268.360 2.991 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000018215133 639684378 /nfs/dbraw/zinc/68/43/78/639684378.db2.gz WWFXXSULKCLVBR-UHFFFAOYSA-N 0 0 294.358 2.559 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)SC)cc1 ZINC000079391476 650588120 /nfs/dbraw/zinc/58/81/20/650588120.db2.gz CBLLZDPQWMLNKB-GFCCVEGCSA-N 0 0 280.437 2.901 20 10 CFCDRN CN1CCCc2cc(CNC(=O)OCC3CC3)ccc21 ZINC000192868020 650604100 /nfs/dbraw/zinc/60/41/00/650604100.db2.gz VVXQPCSGKVKKDU-UHFFFAOYSA-N 0 0 274.364 2.705 20 10 CFCDRN CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000193015082 650616128 /nfs/dbraw/zinc/61/61/28/650616128.db2.gz AVOAPSQJJUSNEJ-ZDUSSCGKSA-N 0 0 285.343 2.849 20 10 CFCDRN O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc(O)c1O ZINC000193156707 650629222 /nfs/dbraw/zinc/62/92/22/650629222.db2.gz OOGBLJKOILDMAD-UHFFFAOYSA-N 0 0 298.220 2.764 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCCS1 ZINC000871033892 641166453 /nfs/dbraw/zinc/16/64/53/641166453.db2.gz KGVRKXCHYBHCAP-FUEXJSSKSA-N 0 0 293.388 2.513 20 10 CFCDRN COc1cc(N(C)CC(C)C)cc(OC)c1OC ZINC000123480090 641189243 /nfs/dbraw/zinc/18/92/43/641189243.db2.gz MKOOXYMCWAMUJU-UHFFFAOYSA-N 0 0 253.342 2.805 20 10 CFCDRN CC(C)(NC(=O)C1=CC(=O)CS1)[C@H]1CCCCO1 ZINC000871170166 641230701 /nfs/dbraw/zinc/23/07/01/641230701.db2.gz MOYPIXZTOGCGCD-LLVKDONJSA-N 0 0 269.366 2.531 20 10 CFCDRN CCCCSCC(=O)N1Cc2cccc(O)c2C1 ZINC000871199497 641240619 /nfs/dbraw/zinc/24/06/19/641240619.db2.gz YLFVWTQWESCVQZ-UHFFFAOYSA-N 0 0 265.378 2.768 20 10 CFCDRN O=C(COC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871201165 641241415 /nfs/dbraw/zinc/24/14/15/641241415.db2.gz QYBLJOWIDJHZHC-UHFFFAOYSA-N 0 0 275.348 2.584 20 10 CFCDRN O=C(C=C(C1CC1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000871201385 641241442 /nfs/dbraw/zinc/24/14/42/641241442.db2.gz VAPXBOMGCBWMSA-UHFFFAOYSA-N 0 0 269.344 2.981 20 10 CFCDRN CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200914 641242261 /nfs/dbraw/zinc/24/22/61/641242261.db2.gz MWGRDDMTVZTSCB-KRWDZBQOSA-N 0 0 296.370 2.537 20 10 CFCDRN CCCCCCOCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203293 641242941 /nfs/dbraw/zinc/24/29/41/641242941.db2.gz WTNNADKQIZKQQS-UHFFFAOYSA-N 0 0 277.364 2.831 20 10 CFCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1C(C)C ZINC000871202979 641243052 /nfs/dbraw/zinc/24/30/52/641243052.db2.gz IOBBIJJOPSFMJX-UHFFFAOYSA-N 0 0 285.347 2.634 20 10 CFCDRN CC1(C)CCC[C@](O)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871204096 641243284 /nfs/dbraw/zinc/24/32/84/641243284.db2.gz BSOLJCGKMKQJJE-QGZVFWFLSA-N 0 0 289.375 2.566 20 10 CFCDRN CSCC1(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871206280 641245240 /nfs/dbraw/zinc/24/52/40/641245240.db2.gz YDRCZIRPTWAQLK-UHFFFAOYSA-N 0 0 277.389 2.768 20 10 CFCDRN O=C(C[C@@H]1Cc2ccccc2O1)N1Cc2cccc(O)c2C1 ZINC000871207098 641246065 /nfs/dbraw/zinc/24/60/65/641246065.db2.gz JNAMKKPIBLWMGS-AWEZNQCLSA-N 0 0 295.338 2.628 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C3CC3)CC2)cc1F ZINC000888576584 641327160 /nfs/dbraw/zinc/32/71/60/641327160.db2.gz CMPKSRHDUYJLMY-UHFFFAOYSA-N 0 0 276.355 2.698 20 10 CFCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(F)cc1[O-] ZINC000872113813 641644596 /nfs/dbraw/zinc/64/45/96/641644596.db2.gz RARUXSNMPWDIFT-QWRGUYRKSA-N 0 0 281.327 2.525 20 10 CFCDRN CN(Cc1nc2c(o1)CCCC2)c1ccc(N)cc1 ZINC000872145327 641672282 /nfs/dbraw/zinc/67/22/82/641672282.db2.gz PTTBJWVPWBRWAW-UHFFFAOYSA-N 0 0 257.337 2.772 20 10 CFCDRN CCCCOc1ccccc1NC[C@@H](O)CC(C)(C)O ZINC000872210555 641703549 /nfs/dbraw/zinc/70/35/49/641703549.db2.gz DCPPWRYNUDPHIR-ZDUSSCGKSA-N 0 0 281.396 2.799 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)COC(C)C ZINC000872212148 641704518 /nfs/dbraw/zinc/70/45/18/641704518.db2.gz BUHKWCSHQDNKGU-CYBMUJFWSA-N 0 0 267.369 2.673 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872212920 641705679 /nfs/dbraw/zinc/70/56/79/641705679.db2.gz ROQGDVOUNNVCOS-WMLDXEAASA-N 0 0 293.407 2.799 20 10 CFCDRN CCCOc1ccc(CNCc2nncn2CC)cc1C ZINC000873013914 641984229 /nfs/dbraw/zinc/98/42/29/641984229.db2.gz IWIRHGDXTVZHOM-UHFFFAOYSA-N 0 0 288.395 2.685 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000873125631 642020215 /nfs/dbraw/zinc/02/02/15/642020215.db2.gz OUUZGEHMPOEOBG-NEPJUHHUSA-N 0 0 292.379 2.568 20 10 CFCDRN Cc1c(Cl)cccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000194776551 650728782 /nfs/dbraw/zinc/72/87/82/650728782.db2.gz ORMAYXODZFEUQR-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCCC(C)=O)cc1 ZINC000194877477 650732308 /nfs/dbraw/zinc/73/23/08/650732308.db2.gz WPHBTJAGAYNMSL-UHFFFAOYSA-N 0 0 290.407 2.908 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000124659760 642294462 /nfs/dbraw/zinc/29/44/62/642294462.db2.gz VADIKMGKQWVTHK-CQSZACIVSA-N 0 0 277.751 2.869 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccccn1 ZINC000124647630 642294582 /nfs/dbraw/zinc/29/45/82/642294582.db2.gz ANRDPOBFCFVCFL-UHFFFAOYSA-N 0 0 262.740 2.773 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C)CC(F)(F)C2)cc1 ZINC000873828912 642298304 /nfs/dbraw/zinc/29/83/04/642298304.db2.gz DBYZGEMXDCHLEU-UHFFFAOYSA-N 0 0 282.334 2.804 20 10 CFCDRN CCn1ccc(C(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000873829687 642299644 /nfs/dbraw/zinc/29/96/44/642299644.db2.gz TZJXOJOBDMGKGJ-UHFFFAOYSA-N 0 0 285.391 2.812 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCO1 ZINC000124695658 642301960 /nfs/dbraw/zinc/30/19/60/642301960.db2.gz JLDCHNCQTPDFQQ-LLVKDONJSA-N 0 0 255.745 2.704 20 10 CFCDRN CCOc1cccc(CNc2cccc(C(N)=O)c2)c1O ZINC000020124896 642303965 /nfs/dbraw/zinc/30/39/65/642303965.db2.gz NOONQRWGWCXGQU-UHFFFAOYSA-N 0 0 286.331 2.502 20 10 CFCDRN Nc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000195308874 650745903 /nfs/dbraw/zinc/74/59/03/650745903.db2.gz WPRFODOVGNRGTL-UHFFFAOYSA-N 0 0 298.342 2.611 20 10 CFCDRN C[C@@H](Cc1ccco1)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875081658 642583178 /nfs/dbraw/zinc/58/31/78/642583178.db2.gz NQYMDUACPSZAEQ-NSHDSACASA-N 0 0 286.331 2.642 20 10 CFCDRN O=C(NC[C@@H]1Cc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000875136158 642589104 /nfs/dbraw/zinc/58/91/04/642589104.db2.gz GKCMUGBCIBMPGS-AWEZNQCLSA-N 0 0 294.354 2.757 20 10 CFCDRN CC1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000875261412 642600599 /nfs/dbraw/zinc/60/05/99/642600599.db2.gz MVPALYXIGSYIOU-UHFFFAOYSA-N 0 0 274.364 2.998 20 10 CFCDRN C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000875312609 642606049 /nfs/dbraw/zinc/60/60/49/642606049.db2.gz XVTKETLBODYLNV-NEPJUHHUSA-N 0 0 294.395 2.550 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1O ZINC000875543754 642640737 /nfs/dbraw/zinc/64/07/37/642640737.db2.gz PQAHNWALYKPYPC-ZKCLLBTKSA-N 0 0 260.337 2.551 20 10 CFCDRN C[C@@H]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875550881 642641508 /nfs/dbraw/zinc/64/15/08/642641508.db2.gz FELCQHPHUHBWCB-NEPJUHHUSA-N 0 0 274.364 2.854 20 10 CFCDRN C[C@H]1CC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875550882 642641600 /nfs/dbraw/zinc/64/16/00/642641600.db2.gz FELCQHPHUHBWCB-NWDGAFQWSA-N 0 0 274.364 2.854 20 10 CFCDRN CCc1nc(CNC(=O)N[C@@H](C)c2ccccc2O)co1 ZINC000875647923 642658706 /nfs/dbraw/zinc/65/87/06/642658706.db2.gz UREZYVKTBXDRHK-JTQLQIEISA-N 0 0 289.335 2.503 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC=CC1 ZINC000875673596 642663135 /nfs/dbraw/zinc/66/31/35/642663135.db2.gz MHIIARJXYKMFSV-CQSZACIVSA-N 0 0 287.407 2.573 20 10 CFCDRN C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000875709811 642671842 /nfs/dbraw/zinc/67/18/42/642671842.db2.gz RZBWNWLALGCQKP-LBPRGKRZSA-N 0 0 297.358 2.616 20 10 CFCDRN CC(C)(F)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875739205 642676556 /nfs/dbraw/zinc/67/65/56/642676556.db2.gz XSTTXGMPLFBYDG-UHFFFAOYSA-N 0 0 266.316 2.556 20 10 CFCDRN O=C(NCCCC1CCC1)N1Cc2cccc(O)c2C1 ZINC000875741237 642677466 /nfs/dbraw/zinc/67/74/66/642677466.db2.gz ZGDSQVRPIUZBIS-UHFFFAOYSA-N 0 0 274.364 2.998 20 10 CFCDRN O=C(NCC[C@@H]1CCSC1)N1Cc2cccc(O)c2C1 ZINC000875935535 642719834 /nfs/dbraw/zinc/71/98/34/642719834.db2.gz PHJVKRYKSHUNTE-LLVKDONJSA-N 0 0 292.404 2.561 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000086754828 650797473 /nfs/dbraw/zinc/79/74/73/650797473.db2.gz RBWWXNXMHXWCDD-MRXNPFEDSA-N 0 0 290.407 2.972 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc(F)c1F ZINC000876619325 642947912 /nfs/dbraw/zinc/94/79/12/642947912.db2.gz UICGNIZPBALMEP-JTQLQIEISA-N 0 0 293.317 2.773 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H](C3CC3)C2)ccc(F)c1F ZINC000876783190 643007017 /nfs/dbraw/zinc/00/70/17/643007017.db2.gz WFSHHZNPPDEDAT-JTQLQIEISA-N 0 0 253.292 2.902 20 10 CFCDRN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC000876801614 643014911 /nfs/dbraw/zinc/01/49/11/643014911.db2.gz GJGVKURMTHTUIY-OLZOCXBDSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1ccc(CN2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000876816413 643023723 /nfs/dbraw/zinc/02/37/23/643023723.db2.gz YUKXQUZXLQRDPS-UHFFFAOYSA-N 0 0 296.370 2.503 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH+]1CCSCC1 ZINC000126207687 643050122 /nfs/dbraw/zinc/05/01/22/643050122.db2.gz NEACHTJAKYPZLW-UHFFFAOYSA-N 0 0 288.210 2.704 20 10 CFCDRN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(O)c1O ZINC000126213207 643052243 /nfs/dbraw/zinc/05/22/43/643052243.db2.gz QAPPOUQOXCBUHV-SNVBAGLBSA-N 0 0 269.300 2.689 20 10 CFCDRN O=C(Cc1c(F)cccc1F)NCc1ccccc1O ZINC000088348263 650811595 /nfs/dbraw/zinc/81/15/95/650811595.db2.gz WHMIQPAYAIKAFG-UHFFFAOYSA-N 0 0 277.270 2.529 20 10 CFCDRN CCCOc1cncc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000877026395 643109116 /nfs/dbraw/zinc/10/91/16/643109116.db2.gz CKFMMBRWTQARSS-UHFFFAOYSA-N 0 0 285.347 2.634 20 10 CFCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877029829 643110465 /nfs/dbraw/zinc/11/04/65/643110465.db2.gz OZDLBKQDESBEQT-OTYXRUKQSA-N 0 0 273.323 2.557 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000877043715 643117397 /nfs/dbraw/zinc/11/73/97/643117397.db2.gz NFRHKIGATSAROW-UONOGXRCSA-N 0 0 272.373 2.545 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](CCO)c2cccs2)ccc(F)c1F ZINC000877051721 643122718 /nfs/dbraw/zinc/12/27/18/643122718.db2.gz ZDHHBRNSNCHCQN-LLVKDONJSA-N 0 0 299.342 2.945 20 10 CFCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064198 643129592 /nfs/dbraw/zinc/12/95/92/643129592.db2.gz OIGWYGTUNHZMGZ-SECBINFHSA-N 0 0 273.323 2.964 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(CCO)CCCC2)ccc(F)c1F ZINC000877067974 643132370 /nfs/dbraw/zinc/13/23/70/643132370.db2.gz KPYKNOHBDFETAP-UHFFFAOYSA-N 0 0 285.334 2.703 20 10 CFCDRN CN(C(=O)[C@@H]1COC[C@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877075099 643137390 /nfs/dbraw/zinc/13/73/90/643137390.db2.gz ZJEYVAHCUUCGFK-DLBZAZTESA-N 0 0 296.370 2.662 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000877075924 643138073 /nfs/dbraw/zinc/13/80/73/643138073.db2.gz SSJDPQYSLQMGRY-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN CN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccc(N)cc1 ZINC000877080481 643140863 /nfs/dbraw/zinc/14/08/63/643140863.db2.gz JMTDGUMGSJNBTE-UHFFFAOYSA-N 0 0 286.379 2.576 20 10 CFCDRN Cc1ccc(CNc2ccn(CC(F)F)n2)c(O)c1 ZINC000877083780 643142350 /nfs/dbraw/zinc/14/23/50/643142350.db2.gz AJPOCXFMNYREHF-UHFFFAOYSA-N 0 0 267.279 2.774 20 10 CFCDRN C[C@H](c1cccs1)N(C)C(=O)c1cccc(O)c1O ZINC000126324954 643145656 /nfs/dbraw/zinc/14/56/56/643145656.db2.gz SZPXFQNWEMPKFP-SECBINFHSA-N 0 0 277.345 2.993 20 10 CFCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877095102 643150929 /nfs/dbraw/zinc/15/09/29/643150929.db2.gz WCWUJCGESQSKRU-VHSXEESVSA-N 0 0 271.307 2.575 20 10 CFCDRN CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877125867 643164798 /nfs/dbraw/zinc/16/47/98/643164798.db2.gz CBUPCWKQPBJMNR-QMMMGPOBSA-N 0 0 296.321 2.763 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877131636 643168998 /nfs/dbraw/zinc/16/89/98/643168998.db2.gz GKPAIQCRVOGDBG-JOYOIKCWSA-N 0 0 271.307 2.575 20 10 CFCDRN Cc1ccc(CN[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000877161333 643182887 /nfs/dbraw/zinc/18/28/87/643182887.db2.gz JODRJCNSFCHNCO-LLVKDONJSA-N 0 0 265.353 2.520 20 10 CFCDRN COc1ccc(N(C)CCC[C@H]2CCO2)cc1F ZINC000877181068 643192615 /nfs/dbraw/zinc/19/26/15/643192615.db2.gz HBLRBTHNECRGOA-LBPRGKRZSA-N 0 0 253.317 2.840 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc(F)c1F ZINC000877189397 643196505 /nfs/dbraw/zinc/19/65/05/643196505.db2.gz OOOYSYYFSVUFGR-VIFPVBQESA-N 0 0 293.260 2.874 20 10 CFCDRN O=C(NCc1ccc(Cl)s1)c1cccc(O)c1O ZINC000126433828 643212200 /nfs/dbraw/zinc/21/22/00/643212200.db2.gz RZVOHGGIRBYMDJ-UHFFFAOYSA-N 0 0 283.736 2.743 20 10 CFCDRN C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877309131 643231162 /nfs/dbraw/zinc/23/11/62/643231162.db2.gz HCKIFWJVPQWUHE-QWRGUYRKSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H]1C[C@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877309132 643231282 /nfs/dbraw/zinc/23/12/82/643231282.db2.gz HCKIFWJVPQWUHE-WDEREUQCSA-N 0 0 285.334 2.965 20 10 CFCDRN COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(C)cc1O ZINC000877471632 643290412 /nfs/dbraw/zinc/29/04/12/643290412.db2.gz VNJLJJPNHWPJAW-MRXNPFEDSA-N 0 0 299.370 2.575 20 10 CFCDRN Cc1ccc(CN2C[C@@H](O)Cc3ccccc32)c(O)c1 ZINC000877484663 643300138 /nfs/dbraw/zinc/30/01/38/643300138.db2.gz FNGZWXJGUHWNSZ-HNNXBMFYSA-N 0 0 269.344 2.624 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)ccc(F)c1F ZINC000877565911 643365800 /nfs/dbraw/zinc/36/58/00/643365800.db2.gz BCSSNULZJPKVAE-SWLSCSKDSA-N 0 0 297.345 2.557 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571121 643369922 /nfs/dbraw/zinc/36/99/22/643369922.db2.gz WSFLWOCVTGOYSQ-GZMMTYOYSA-N 0 0 279.290 2.663 20 10 CFCDRN [O-]c1c(CN2CCO[C@H](C3CCC3)C2)ccc(F)c1F ZINC000877588399 643382872 /nfs/dbraw/zinc/38/28/72/643382872.db2.gz ZXZYSZAMBCSNFH-ZDUSSCGKSA-N 0 0 283.318 2.671 20 10 CFCDRN COCC1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877589320 643383959 /nfs/dbraw/zinc/38/39/59/643383959.db2.gz MPMHNCFMMKBXAO-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN Cc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000877617679 643403437 /nfs/dbraw/zinc/40/34/37/643403437.db2.gz ZPOVHELGHQFHJE-OAHLLOKOSA-N 0 0 298.386 2.567 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877617426 643403598 /nfs/dbraw/zinc/40/35/98/643403598.db2.gz WBYMDMALXWJMLH-LBPRGKRZSA-N 0 0 275.245 2.902 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)ccc(F)c1F ZINC000877619242 643404692 /nfs/dbraw/zinc/40/46/92/643404692.db2.gz SWEMNCPLJFZOFZ-ZIAGYGMSSA-N 0 0 296.361 2.777 20 10 CFCDRN Cc1cccc(O)c1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000877639248 643424592 /nfs/dbraw/zinc/42/45/92/643424592.db2.gz DIZRVLWKSVNJGH-NSHDSACASA-N 0 0 289.297 2.854 20 10 CFCDRN Oc1c(F)c(F)ccc1Cn1cnc2c1CCCC2 ZINC000877649435 643430746 /nfs/dbraw/zinc/43/07/46/643430746.db2.gz XEYHUQRFQJILBW-UHFFFAOYSA-N 0 0 264.275 2.794 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877653583 643433202 /nfs/dbraw/zinc/43/32/02/643433202.db2.gz NVZMDPFYFDESIG-NSHDSACASA-N 0 0 273.323 2.557 20 10 CFCDRN CCc1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703194 643468546 /nfs/dbraw/zinc/46/85/46/643468546.db2.gz VSTZQNJYRJXZRR-UHFFFAOYSA-N 0 0 260.362 2.927 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]21 ZINC000877739083 643503289 /nfs/dbraw/zinc/50/32/89/643503289.db2.gz FGDORQGFQASNKC-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1cc(N(C)C)ccc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000877844274 643606300 /nfs/dbraw/zinc/60/63/00/643606300.db2.gz SVHCDKMWMVNNPW-MRXNPFEDSA-N 0 0 281.359 2.915 20 10 CFCDRN Cc1ccc2c(c1)N[C@@H](c1cc(F)ccc1O)NC2=O ZINC000877865285 643613610 /nfs/dbraw/zinc/61/36/10/643613610.db2.gz ZUSYMVPAWGSGQF-CQSZACIVSA-N 0 0 272.279 2.694 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCO[C@@H]1C ZINC000877944936 643657787 /nfs/dbraw/zinc/65/77/87/643657787.db2.gz WGGLBROLWYRZQI-OCCSQVGLSA-N 0 0 261.365 2.873 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000878276572 643818494 /nfs/dbraw/zinc/81/84/94/643818494.db2.gz FPKDOVCCDKTEPS-AWEZNQCLSA-N 0 0 291.391 2.946 20 10 CFCDRN Cc1nc(C(C)C)ncc1C(=O)N(C)Cc1ccccc1O ZINC000878276481 643818610 /nfs/dbraw/zinc/81/86/10/643818610.db2.gz BLIRLIHUXNIVBO-UHFFFAOYSA-N 0 0 299.374 2.886 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ccccc2CO)cc1 ZINC000878751655 644015629 /nfs/dbraw/zinc/01/56/29/644015629.db2.gz SYAVDINBWKTYNL-UHFFFAOYSA-N 0 0 270.376 2.881 20 10 CFCDRN CCOc1ccc(N(CCn2cncn2)CC2CC2)cc1 ZINC000879116991 644148888 /nfs/dbraw/zinc/14/88/88/644148888.db2.gz GFCLRKUQAOVNEW-UHFFFAOYSA-N 0 0 286.379 2.593 20 10 CFCDRN CN(C)c1ccc(CN(C)OCC(F)(F)F)cc1 ZINC000879518109 644300670 /nfs/dbraw/zinc/30/06/70/644300670.db2.gz DKXIHDWYVZGTIH-UHFFFAOYSA-N 0 0 262.275 2.678 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCN(C)c3ccccc32)c1 ZINC000127853853 644339567 /nfs/dbraw/zinc/33/95/67/644339567.db2.gz LHKRLUUHNIUELE-BQYQJAHWSA-N 0 0 293.370 2.886 20 10 CFCDRN Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1C(C)C ZINC000092500819 650921021 /nfs/dbraw/zinc/92/10/21/650921021.db2.gz QIISHHUGAGHKEP-UHFFFAOYSA-N 0 0 287.363 2.750 20 10 CFCDRN CS[C@@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000128091766 644466448 /nfs/dbraw/zinc/46/64/48/644466448.db2.gz HOHARJAQQRDXAZ-QMMMGPOBSA-N 0 0 290.226 2.996 20 10 CFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCC1 ZINC000128122405 644494088 /nfs/dbraw/zinc/49/40/88/644494088.db2.gz UGEASEWBERMKCI-NSHDSACASA-N 0 0 262.353 2.722 20 10 CFCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000880318059 644650943 /nfs/dbraw/zinc/65/09/43/644650943.db2.gz ZUNNTAMALDTXOZ-WTKPLQERSA-N 0 0 283.287 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CC[C@@H]2CC(C)(C)CO2)c1 ZINC000880836805 644846505 /nfs/dbraw/zinc/84/65/05/644846505.db2.gz CAZHKKPLMNHNQF-CQSZACIVSA-N 0 0 291.391 2.912 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(F)F ZINC000881283038 644942760 /nfs/dbraw/zinc/94/27/60/644942760.db2.gz VJZDMSBOKHDGJR-JTQLQIEISA-N 0 0 297.349 2.522 20 10 CFCDRN C/C=C\c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377927 644964379 /nfs/dbraw/zinc/96/43/79/644964379.db2.gz YQOIERWCWXUEHY-WAYWQWQTSA-N 0 0 256.353 2.734 20 10 CFCDRN Cc1ncnc(N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000881772082 645125278 /nfs/dbraw/zinc/12/52/78/645125278.db2.gz ALKWJRQMELMYOW-UHFFFAOYSA-N 0 0 270.380 2.796 20 10 CFCDRN Cc1cncnc1NCc1c(O)ccc2c1CCCC2 ZINC000882029413 645182668 /nfs/dbraw/zinc/18/26/68/645182668.db2.gz LUWKXLVBHQDRBZ-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN c1csc(SC[C@@H]2CCC3(CCOCC3)O2)n1 ZINC000882110899 645205700 /nfs/dbraw/zinc/20/57/00/645205700.db2.gz VZNMLYMTRPQMKM-JTQLQIEISA-N 0 0 271.407 2.963 20 10 CFCDRN CN(Cc1ccccc1O)c1ccc2c(n1)C(=O)CC2 ZINC000882138341 645217553 /nfs/dbraw/zinc/21/75/53/645217553.db2.gz GSBAVPFUKLLMLM-UHFFFAOYSA-N 0 0 268.316 2.553 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C2CC2)ncn1 ZINC000882171078 645229220 /nfs/dbraw/zinc/22/92/20/645229220.db2.gz MIBPWEKDPQQOSS-JTQLQIEISA-N 0 0 285.347 2.808 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1ncc(C=O)cn1 ZINC000882321563 645282323 /nfs/dbraw/zinc/28/23/23/645282323.db2.gz XJAOPWKTXHVLMX-UHFFFAOYSA-N 0 0 285.347 2.801 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 ZINC000025386195 645395203 /nfs/dbraw/zinc/39/52/03/645395203.db2.gz KPBCVLPQNYFANO-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000130739122 645562174 /nfs/dbraw/zinc/56/21/74/645562174.db2.gz FJQKXGXKZOLVIU-ZETCQYMHSA-N 0 0 264.152 2.512 20 10 CFCDRN Cc1c[nH]c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000130791605 645571291 /nfs/dbraw/zinc/57/12/91/645571291.db2.gz VBBBPHOIIDLITI-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883078730 645595031 /nfs/dbraw/zinc/59/50/31/645595031.db2.gz BCTPKLKIQSDYQJ-TVQRCGJNSA-N 0 0 297.301 2.865 20 10 CFCDRN CC(C)[C@@H](O)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883083405 645597497 /nfs/dbraw/zinc/59/74/97/645597497.db2.gz KWUPXDCXNMLTMS-CQSZACIVSA-N 0 0 285.334 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000883088929 645600346 /nfs/dbraw/zinc/60/03/46/645600346.db2.gz VBSGRGKTEIMDGK-JSGCOSHPSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000883121090 645611845 /nfs/dbraw/zinc/61/18/45/645611845.db2.gz XMGRRBBHTYMZIF-BONVTDFDSA-N 0 0 293.313 2.882 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(C)C ZINC000883147037 645625922 /nfs/dbraw/zinc/62/59/22/645625922.db2.gz ILRNOMMNIFOYDB-GFCCVEGCSA-N 0 0 273.323 2.821 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000131156326 645638973 /nfs/dbraw/zinc/63/89/73/645638973.db2.gz UXZZLOURBGITGN-WCQYABFASA-N 0 0 257.333 2.985 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCC2CCC2)cc1 ZINC000131236007 645666562 /nfs/dbraw/zinc/66/65/62/645666562.db2.gz OUBSLGNBRKDMSE-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN CC(C)(CNC(=O)NCc1ccccc1O)CC(F)F ZINC000883250180 645697272 /nfs/dbraw/zinc/69/72/72/645697272.db2.gz GCRMZJDTVGZIQN-UHFFFAOYSA-N 0 0 286.322 2.873 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000883276152 645717867 /nfs/dbraw/zinc/71/78/67/645717867.db2.gz GTCUTNLLVQKDBB-YPMHNXCESA-N 0 0 293.338 2.626 20 10 CFCDRN Cc1cc(C(=O)Cn2cncn2)c(C)n1-c1ccccc1C ZINC000131882879 645845816 /nfs/dbraw/zinc/84/58/16/645845816.db2.gz AGHYRANCBAZODP-UHFFFAOYSA-N 0 0 294.358 2.877 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1F ZINC000131908875 645849406 /nfs/dbraw/zinc/84/94/06/645849406.db2.gz ITLZEASVQFYZAC-AWEZNQCLSA-N 0 0 280.387 2.893 20 10 CFCDRN COc1ccc(N(C)Cc2cn3ccccc3n2)c(OC)c1 ZINC000131929760 645852687 /nfs/dbraw/zinc/85/26/87/645852687.db2.gz RRABIPCCZMXDLH-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN C=C/C=C\CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000883830783 645993298 /nfs/dbraw/zinc/99/32/98/645993298.db2.gz VHPBGUINDNBHDX-RXNFCKPNSA-N 0 0 260.337 2.885 20 10 CFCDRN CC1(CNC(=O)N2Cc3cccc(O)c3C2)CC(F)(F)C1 ZINC000883873117 646013708 /nfs/dbraw/zinc/01/37/08/646013708.db2.gz LLWIEYQBTUDRMF-UHFFFAOYSA-N 0 0 296.317 2.853 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000135260048 646499229 /nfs/dbraw/zinc/49/92/29/646499229.db2.gz XCLGXMREOKPXIY-ZFWWWQNUSA-N 0 0 258.365 2.602 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000886157230 646900865 /nfs/dbraw/zinc/90/08/65/646900865.db2.gz WURMKOAKIZEFFK-GFCCVEGCSA-N 0 0 295.404 2.733 20 10 CFCDRN Cc1cc(O)c(CNc2n[nH]c3c2COCC3)c(Cl)c1 ZINC000886204459 646919205 /nfs/dbraw/zinc/91/92/05/646919205.db2.gz GGRWLCSWCQJBIQ-UHFFFAOYSA-N 0 0 293.754 2.762 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1c([O-])cccc1F ZINC000886501694 647021397 /nfs/dbraw/zinc/02/13/97/647021397.db2.gz USZLPGCWYFPWSY-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CC1)c1c([O-])cccc1F ZINC000886524059 647027708 /nfs/dbraw/zinc/02/77/08/647027708.db2.gz BREDBJPSJILZCU-SNVBAGLBSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1c([O-])cccc1F ZINC000886524143 647027812 /nfs/dbraw/zinc/02/78/12/647027812.db2.gz DUDAJFSRWPLMIR-DGCLKSJQSA-N 0 0 278.371 2.666 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(CO)c1)c1c([O-])cccc1F ZINC000886524882 647029358 /nfs/dbraw/zinc/02/93/58/647029358.db2.gz SRPNKCRJMKPLTI-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526928 647029964 /nfs/dbraw/zinc/02/99/64/647029964.db2.gz VEZWQSILFGSYMW-RWSFTLGLSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000886533007 647033583 /nfs/dbraw/zinc/03/35/83/647033583.db2.gz SOLBVUWQJZFBBC-SNVBAGLBSA-N 0 0 283.343 2.914 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534936 647034123 /nfs/dbraw/zinc/03/41/23/647034123.db2.gz RSAFCDAPZWALSM-NEPJUHHUSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c([O-])cccc1F ZINC000886538519 647036518 /nfs/dbraw/zinc/03/65/18/647036518.db2.gz JKWAPBFIKNEGAP-UTUOFQBUSA-N 0 0 267.344 2.733 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886555014 647045640 /nfs/dbraw/zinc/04/56/40/647045640.db2.gz IUZZCSQTBOOEKW-JOYOIKCWSA-N 0 0 253.317 2.607 20 10 CFCDRN CC(C)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)(C)O ZINC000886598832 647061735 /nfs/dbraw/zinc/06/17/35/647061735.db2.gz KXJBQSBXOOHEBI-HZMBPMFUSA-N 0 0 269.360 2.977 20 10 CFCDRN C[C@H](N[C@@H](C)c1c(O)cccc1F)c1ccn(C)n1 ZINC000886625077 647074528 /nfs/dbraw/zinc/07/45/28/647074528.db2.gz IETOLCHOIOEBRS-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1c([O-])cccc1F ZINC000886626714 647075371 /nfs/dbraw/zinc/07/53/71/647075371.db2.gz JKNFIZMQNFNVNE-QJPTWQEYSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1c([O-])cccc1F ZINC000886627124 647076225 /nfs/dbraw/zinc/07/62/25/647076225.db2.gz TZKCXYWYQJCYOO-JQEORGNBSA-N 0 0 289.297 2.731 20 10 CFCDRN C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1c([O-])cccc1F ZINC000886634984 647080025 /nfs/dbraw/zinc/08/00/25/647080025.db2.gz RUIGHSFYJAHQBR-PHEKWQANSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886639771 647082539 /nfs/dbraw/zinc/08/25/39/647082539.db2.gz LNSWDFZUEMTARW-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1c([O-])cccc1F ZINC000886644640 647085603 /nfs/dbraw/zinc/08/56/03/647085603.db2.gz HNDFHILTZKOEEY-GROBDOOLSA-N 0 0 277.339 2.605 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1c([O-])cccc1F ZINC000886649566 647088308 /nfs/dbraw/zinc/08/83/08/647088308.db2.gz DKMUIZYGLQUAOG-AAEUAGOBSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1c([O-])cccc1F ZINC000886650127 647088390 /nfs/dbraw/zinc/08/83/90/647088390.db2.gz PRNVDESFKPHXEW-CMPLNLGQSA-N 0 0 275.327 2.914 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1CCCOC1 ZINC000886789461 647137521 /nfs/dbraw/zinc/13/75/21/647137521.db2.gz VLXRVYBHTCVRCC-ZOWXZIJZSA-N 0 0 297.370 2.624 20 10 CFCDRN Oc1ccc(F)cc1CN1CCOc2ccccc21 ZINC000139745750 647196524 /nfs/dbraw/zinc/19/65/24/647196524.db2.gz VXUJFAFEOLCTOK-UHFFFAOYSA-N 0 0 259.280 2.930 20 10 CFCDRN CCN(C)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1 ZINC000887079532 647203551 /nfs/dbraw/zinc/20/35/51/647203551.db2.gz UDHYNGIIZMMGNK-ZDUSSCGKSA-N 0 0 290.329 2.546 20 10 CFCDRN CN1C(=O)/C(=C\c2cccc3c2CCOC3)SC1=S ZINC000887272343 647258466 /nfs/dbraw/zinc/25/84/66/647258466.db2.gz LPOJZOWOONZDTR-KPKJPENVSA-N 0 0 291.397 2.590 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc2c(c1)CCO2 ZINC000887330282 647273642 /nfs/dbraw/zinc/27/36/42/647273642.db2.gz FCAPISAIXIHJCD-SECBINFHSA-N 0 0 289.356 2.880 20 10 CFCDRN Nc1ccc(OCc2cn(CC[C@@H]3C[C@H]3C3CC3)nn2)cc1 ZINC000887458810 647324450 /nfs/dbraw/zinc/32/44/50/647324450.db2.gz CJIOYORPCZQUJD-DYVFJYSZSA-N 0 0 298.390 2.876 20 10 CFCDRN CO[C@H](C)c1nsc(NCc2ccccc2O)n1 ZINC000302386957 647406175 /nfs/dbraw/zinc/40/61/75/647406175.db2.gz FKJGLRLUXIMJSK-MRVPVSSYSA-N 0 0 265.338 2.563 20 10 CFCDRN Cc1cnc(F)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000887767299 647408521 /nfs/dbraw/zinc/40/85/21/647408521.db2.gz GVUROMHPXNVUEB-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN CCc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000890030270 647726668 /nfs/dbraw/zinc/72/66/68/647726668.db2.gz BFGRSEAOQVASIE-LLVKDONJSA-N 0 0 287.363 2.794 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890469116 647806743 /nfs/dbraw/zinc/80/67/43/647806743.db2.gz OBBPFDVSVHSLBB-UQOMUDLDSA-N 0 0 288.391 2.826 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000924014450 647912765 /nfs/dbraw/zinc/91/27/65/647912765.db2.gz NXLADPFAOYMPRJ-COPLHBTASA-N 0 0 292.354 2.909 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925858675 648346702 /nfs/dbraw/zinc/34/67/02/648346702.db2.gz CSCCRCQJQHVBFZ-KCJUWKMLSA-N 0 0 291.178 2.643 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000926142856 648415174 /nfs/dbraw/zinc/41/51/74/648415174.db2.gz MFEGHOCJPDSVDM-IUODEOHRSA-N 0 0 289.379 2.596 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000926140936 648415298 /nfs/dbraw/zinc/41/52/98/648415298.db2.gz CIXYCSCUDQXKFO-OIBJUYFYSA-N 0 0 273.258 2.589 20 10 CFCDRN Cc1cnc(CNC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000926751124 648601309 /nfs/dbraw/zinc/60/13/09/648601309.db2.gz OTYUENXHTAMEDX-UHFFFAOYSA-N 0 0 299.374 2.746 20 10 CFCDRN COC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000927095521 648709333 /nfs/dbraw/zinc/70/93/33/648709333.db2.gz BSUUSZKHFCJINO-RYUDHWBXSA-N 0 0 296.367 2.870 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000927232939 648742113 /nfs/dbraw/zinc/74/21/13/648742113.db2.gz QGZCFIZOJYLQMD-CMPLNLGQSA-N 0 0 292.404 2.702 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCc2ccccc2C1 ZINC000928706041 648944767 /nfs/dbraw/zinc/94/47/67/648944767.db2.gz NZXMRIZPOFBHQL-AWEZNQCLSA-N 0 0 299.345 2.953 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928706058 648944806 /nfs/dbraw/zinc/94/48/06/648944806.db2.gz OGISFBIREDGAIJ-UHFFFAOYSA-N 0 0 253.317 2.974 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928705909 648944915 /nfs/dbraw/zinc/94/49/15/648944915.db2.gz MLWYJPQTXGKOAL-WDEREUQCSA-N 0 0 265.328 2.974 20 10 CFCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1c(O)cccc1F ZINC000928708267 648945282 /nfs/dbraw/zinc/94/52/82/648945282.db2.gz JLKNUGROWLBNJY-RYUDHWBXSA-N 0 0 297.370 2.725 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCC(F)(F)C1 ZINC000928707806 648945313 /nfs/dbraw/zinc/94/53/13/648945313.db2.gz IXIATCMUFZSHQZ-SECBINFHSA-N 0 0 287.281 2.973 20 10 CFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928706628 648945364 /nfs/dbraw/zinc/94/53/64/648945364.db2.gz SNUIQAMVXZAUKZ-QWRGUYRKSA-N 0 0 265.328 2.974 20 10 CFCDRN CO[C@H](C(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC000928710040 648945875 /nfs/dbraw/zinc/94/58/75/648945875.db2.gz GLLPSGAOTJAIJJ-HNNXBMFYSA-N 0 0 295.354 2.743 20 10 CFCDRN CCOCCCCCC(=O)NCc1c(O)cccc1F ZINC000928710261 648945918 /nfs/dbraw/zinc/94/59/18/648945918.db2.gz RVLJYOVWEHKJMU-UHFFFAOYSA-N 0 0 283.343 2.744 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1ccccn1 ZINC000928708690 648946045 /nfs/dbraw/zinc/94/60/45/648946045.db2.gz QGFGOCZITLXNQS-UHFFFAOYSA-N 0 0 288.322 2.520 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1c(O)cccc1F ZINC000928709192 648946113 /nfs/dbraw/zinc/94/61/13/648946113.db2.gz YARFLWPBQATFJM-UHFFFAOYSA-N 0 0 253.317 2.974 20 10 CFCDRN COC/C(C)=C\CN(C)c1ccc(OC)c(OC)c1 ZINC000929347296 649036425 /nfs/dbraw/zinc/03/64/25/649036425.db2.gz HCQZZQWPBRFFRQ-WQLSENKSSA-N 0 0 265.353 2.733 20 10 CFCDRN COc1ccc(N(C)CCOC2CC2)cc1Cl ZINC000929827490 649132689 /nfs/dbraw/zinc/13/26/89/649132689.db2.gz UJVZGAXAQLSPLG-UHFFFAOYSA-N 0 0 255.745 2.964 20 10 CFCDRN CCN(Cc1nnc(OC)s1)c1ccc(OC)cc1 ZINC000929903917 649147128 /nfs/dbraw/zinc/14/71/28/649147128.db2.gz INWHRBPCKGIEDY-UHFFFAOYSA-N 0 0 279.365 2.582 20 10 CFCDRN CCc1noc(C)c1NC(=O)NCc1c(O)cccc1F ZINC000930547343 649271207 /nfs/dbraw/zinc/27/12/07/649271207.db2.gz QIYROTSGCBHOHN-UHFFFAOYSA-N 0 0 293.298 2.712 20 10 CFCDRN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000933170916 649677374 /nfs/dbraw/zinc/67/73/74/649677374.db2.gz XIJXNQVSEMKAQS-UKRRQHHQSA-N 0 0 290.407 2.526 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1noc2c1CCCC2 ZINC000934362962 649779802 /nfs/dbraw/zinc/77/98/02/649779802.db2.gz SOUUZXGPAJSEMF-UHFFFAOYSA-N 0 0 287.319 2.581 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485167 770721040 /nfs/dbraw/zinc/72/10/40/770721040.db2.gz RSISGEGPUXGISE-ZJUUUORDSA-N 0 0 283.755 2.588 20 10 CFCDRN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237808126 779719415 /nfs/dbraw/zinc/71/94/15/779719415.db2.gz REMSUOGVGHTXGW-KWQFWETISA-N 0 0 273.735 2.530 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001237807548 779719711 /nfs/dbraw/zinc/71/97/11/779719711.db2.gz LONLGTRAKDUIID-YMTOWFKASA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001139933259 769900078 /nfs/dbraw/zinc/90/00/78/769900078.db2.gz UCSFJWOXCKUTNP-UHFFFAOYSA-N 0 0 284.359 2.750 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(F)c(F)c2)c1 ZINC001167293409 770227050 /nfs/dbraw/zinc/22/70/50/770227050.db2.gz BSWMCOAMNNQRSQ-UHFFFAOYSA-N 0 0 291.297 2.838 20 10 CFCDRN Cc1ccc(C)c(CN2CC(F)(F)CC[C@@H]2CO)c1O ZINC001140178730 770260620 /nfs/dbraw/zinc/26/06/20/770260620.db2.gz VWCNEOLMHZBDIZ-GFCCVEGCSA-N 0 0 285.334 2.601 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000177674912 770327644 /nfs/dbraw/zinc/32/76/44/770327644.db2.gz OXHWWDQSQGBESH-CVEARBPZSA-N 0 0 272.392 2.757 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@]23C[C@H]2CCCC3)cc1 ZINC000693220354 770398419 /nfs/dbraw/zinc/39/84/19/770398419.db2.gz ZPCTUXMKTCDULG-CZUORRHYSA-N 0 0 258.365 2.508 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CCNCC(F)(F)C2)c1 ZINC001211347136 770487809 /nfs/dbraw/zinc/48/78/09/770487809.db2.gz LXAHRCGWURNHFF-UHFFFAOYSA-N 0 0 298.377 2.730 20 10 CFCDRN C[C@@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404889 770533978 /nfs/dbraw/zinc/53/39/78/770533978.db2.gz WNEIIEJINGZADA-RNZFLTOJSA-N 0 0 298.342 2.726 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000724015120 770752416 /nfs/dbraw/zinc/75/24/16/770752416.db2.gz UORNFAXEAHUWQB-AAEUAGOBSA-N 0 0 285.334 2.965 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(F)nc1 ZINC000588523603 770929321 /nfs/dbraw/zinc/92/93/21/770929321.db2.gz GAZKUICPKMSYKS-FLIBITNWSA-N 0 0 291.351 2.677 20 10 CFCDRN COCC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580276 770951620 /nfs/dbraw/zinc/95/16/20/770951620.db2.gz VQNZEAPZEHYYEI-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN C[C@H]1C[C@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)CC[C@H]2O1 ZINC001140580794 770957514 /nfs/dbraw/zinc/95/75/14/770957514.db2.gz FXIYKNDLIDSJTK-AMJWSMQMSA-N 0 0 283.318 2.670 20 10 CFCDRN C/C(=C\C(=O)N(C)c1ccc(Cl)cn1)c1cnccn1 ZINC001125846390 775639590 /nfs/dbraw/zinc/63/95/90/775639590.db2.gz HOGYHRMPVDRHEI-JXMROGBWSA-N 0 0 288.738 2.591 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000294030713 775733777 /nfs/dbraw/zinc/73/37/77/775733777.db2.gz OFDNHIGFRKSDFB-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc(C(F)F)cn2)cc1 ZINC001218794094 775737623 /nfs/dbraw/zinc/73/76/23/775737623.db2.gz LJGGEGBHNGLOSD-UHFFFAOYSA-N 0 0 277.274 2.783 20 10 CFCDRN CCCC(CCC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464445 775833455 /nfs/dbraw/zinc/83/34/55/775833455.db2.gz GZIZXABBVUGTRF-UHFFFAOYSA-N 0 0 272.297 2.562 20 10 CFCDRN Oc1ccc(Br)cc1CN1CC[C@H](F)C1 ZINC000689865674 775880367 /nfs/dbraw/zinc/88/03/67/775880367.db2.gz YNTNHCRRYZRSOA-JTQLQIEISA-N 0 0 274.133 2.699 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2csc(Cl)n2)cc1 ZINC000692665678 775969339 /nfs/dbraw/zinc/96/93/39/775969339.db2.gz YLWKZDSFZQUTNU-UHFFFAOYSA-N 0 0 295.795 2.793 20 10 CFCDRN CN1CC(OC2=CC(=O)C=CC2=NNc2ccccn2)C1 ZINC001227485923 776213397 /nfs/dbraw/zinc/21/33/97/776213397.db2.gz DTEYQQSYBWVXDK-ISLYRVAYSA-N 0 0 284.319 2.895 20 10 CFCDRN CCC[C@H](CC(=O)OC)Oc1ccc(N(C)C)cc1 ZINC001227939074 776334980 /nfs/dbraw/zinc/33/49/80/776334980.db2.gz KTBNREWPMSMWJX-CQSZACIVSA-N 0 0 265.353 2.863 20 10 CFCDRN CCOC(=O)[C@@H]1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939387 776335035 /nfs/dbraw/zinc/33/50/35/776335035.db2.gz UXLIFIMEMGLGMI-IUODEOHRSA-N 0 0 277.364 2.863 20 10 CFCDRN CCOC(=O)N1CCC(Oc2ccc(N(C)C)cc2)CC1 ZINC001227939522 776335142 /nfs/dbraw/zinc/33/51/42/776335142.db2.gz XWOPGJPZTYQEAE-UHFFFAOYSA-N 0 0 292.379 2.752 20 10 CFCDRN CC[C@H](C)Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001228205178 776421418 /nfs/dbraw/zinc/42/14/18/776421418.db2.gz OQAAXLCPGOVUMD-ZDUSSCGKSA-N 0 0 276.380 2.532 20 10 CFCDRN COc1cc(C)cc(N(CCO)c2ccc(N)cc2)c1 ZINC001211726457 776781781 /nfs/dbraw/zinc/78/17/81/776781781.db2.gz BYMWDLLMOHBKIC-UHFFFAOYSA-N 0 0 272.348 2.716 20 10 CFCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1OC1CC1 ZINC001231345732 777196739 /nfs/dbraw/zinc/19/67/39/777196739.db2.gz SJSJZRBJQORMQG-UHFFFAOYSA-N 0 0 286.283 2.576 20 10 CFCDRN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001231449964 777221336 /nfs/dbraw/zinc/22/13/36/777221336.db2.gz OXHUIEIGODVBSR-TXEJJXNPSA-N 0 0 297.301 2.568 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001231448770 777221824 /nfs/dbraw/zinc/22/18/24/777221824.db2.gz BBQGDYHHYJMATP-AAEUAGOBSA-N 0 0 275.348 2.712 20 10 CFCDRN CCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231445893 777222165 /nfs/dbraw/zinc/22/21/65/777222165.db2.gz CIYMAJKNGXYNMB-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN CC1(C)CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231452684 777222689 /nfs/dbraw/zinc/22/26/89/777222689.db2.gz ROXCIQXTJVARQX-UHFFFAOYSA-N 0 0 263.337 2.712 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC001231564790 777261220 /nfs/dbraw/zinc/26/12/20/777261220.db2.gz YJAIPAGGSDLVRB-OAHLLOKOSA-N 0 0 298.342 2.823 20 10 CFCDRN Cc1cccc(CN2CCC(F)(F)[C@@H](F)C2)c1O ZINC001231591193 777269379 /nfs/dbraw/zinc/26/93/79/777269379.db2.gz VFGAFBXWGQOVCV-NSHDSACASA-N 0 0 259.271 2.880 20 10 CFCDRN Cc1cccc(CN(C)CC(=O)OCc2ccccc2)c1O ZINC001231594301 777273748 /nfs/dbraw/zinc/27/37/48/777273748.db2.gz AVULALXZCAWDTG-UHFFFAOYSA-N 0 0 299.370 2.876 20 10 CFCDRN Cc1cc(C)c(CN2CCC[C@@H](F)C(=O)C2)c(O)c1 ZINC001231843273 777346465 /nfs/dbraw/zinc/34/64/65/777346465.db2.gz UJGGBPKQQAFPGM-CYBMUJFWSA-N 0 0 265.328 2.512 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCOC[C@@H]1C(C)C ZINC001231854616 777352234 /nfs/dbraw/zinc/35/22/34/777352234.db2.gz JJEBUCPSHKTKHJ-MRXNPFEDSA-N 0 0 292.423 2.618 20 10 CFCDRN Cc1cc(O)c(CN2CC[C@@](C)(O)[C@@H](F)C2)cc1Cl ZINC001231866904 777357824 /nfs/dbraw/zinc/35/78/24/777357824.db2.gz 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CCc1ccc(C[N@@H+](CC)CC(C)(C)O)c(O)c1 ZINC001236792989 778938906 /nfs/dbraw/zinc/93/89/06/778938906.db2.gz UWIFFUZDCQDIJL-UHFFFAOYSA-N 0 0 251.370 2.547 20 10 CFCDRN COC1CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236793270 778939201 /nfs/dbraw/zinc/93/92/01/778939201.db2.gz STIRBSOUFPZEEI-UHFFFAOYSA-N 0 0 299.370 2.802 20 10 CFCDRN CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795153 778941555 /nfs/dbraw/zinc/94/15/55/778941555.db2.gz BBYBFMDQOLTYQY-SNVBAGLBSA-N 0 0 289.206 2.835 20 10 CFCDRN COc1cc(O)c(CN2CC[C@@H](F)C2)c(Cl)c1 ZINC001236800362 778943409 /nfs/dbraw/zinc/94/34/09/778943409.db2.gz XTVAIAJJADZLGV-MRVPVSSYSA-N 0 0 259.708 2.598 20 10 CFCDRN COc1cc(O)c(CN2CCCC(=O)[C@@H](C)C2)c(Cl)c1 ZINC001236799085 778943478 /nfs/dbraw/zinc/94/34/78/778943478.db2.gz RCTXLAUQIKLDCM-JTQLQIEISA-N 0 0 297.782 2.855 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1Cl ZINC001236802064 778944824 /nfs/dbraw/zinc/94/48/24/778944824.db2.gz NQNVQDVTNBMYDU-JQWIXIFHSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1Cl ZINC001236812435 778950847 /nfs/dbraw/zinc/95/08/47/778950847.db2.gz VPMITQIQIQQOGD-OAHLLOKOSA-N 0 0 297.782 2.809 20 10 CFCDRN CN(Cc1cc2ccccc2cc1O)Cc1ncccn1 ZINC001236827644 778956885 /nfs/dbraw/zinc/95/68/85/778956885.db2.gz VLIASWMOEIRRGB-UHFFFAOYSA-N 0 0 279.343 2.967 20 10 CFCDRN Oc1cc2ccccc2cc1CN1CCn2ccnc2C1 ZINC001236830172 778957127 /nfs/dbraw/zinc/95/71/27/778957127.db2.gz MWGUMTYLRJJQQO-UHFFFAOYSA-N 0 0 279.343 2.758 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001237048454 778998365 /nfs/dbraw/zinc/99/83/65/778998365.db2.gz RXAWNWWNXYUBBX-CYBMUJFWSA-N 0 0 263.381 2.720 20 10 CFCDRN CCN(CC(=O)OC)Cc1ccc(C(C)C)cc1O ZINC001237051798 778999652 /nfs/dbraw/zinc/99/96/52/778999652.db2.gz QQIGDWACNHVFSO-UHFFFAOYSA-N 0 0 265.353 2.511 20 10 CFCDRN OC[C@@]1(F)CCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078411 779006274 /nfs/dbraw/zinc/00/62/74/779006274.db2.gz SGEHMRNRADMLNB-GFCCVEGCSA-N 0 0 294.153 2.605 20 10 CFCDRN C[C@H]1C[C@@H](CO)[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078419 779006303 /nfs/dbraw/zinc/00/63/03/779006303.db2.gz STVLVFAJYJCGQX-IUCAKERBSA-N 0 0 290.190 2.902 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001237077230 779006870 /nfs/dbraw/zinc/00/68/70/779006870.db2.gz DIRKIKPYMMGBLO-MRVPVSSYSA-N 0 0 276.163 2.656 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(CO)CC1 ZINC001237079247 779006967 /nfs/dbraw/zinc/00/69/67/779006967.db2.gz IQFLRPVYBGUFLO-UHFFFAOYSA-N 0 0 290.190 2.903 20 10 CFCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237125796 779018963 /nfs/dbraw/zinc/01/89/63/779018963.db2.gz DXJUDROHYOLZRP-RKDXNWHRSA-N 0 0 273.735 2.530 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CCCCO1 ZINC001237135303 779023338 /nfs/dbraw/zinc/02/33/38/779023338.db2.gz HOIMPGUSQRHHRJ-UHFFFAOYSA-N 0 0 261.243 2.938 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237224742 779054251 /nfs/dbraw/zinc/05/42/51/779054251.db2.gz IDZKPZPSROOYBH-CQSZACIVSA-N 0 0 278.783 2.887 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237484363 779118225 /nfs/dbraw/zinc/11/82/25/779118225.db2.gz CWTLAHFADOWTMK-CZUORRHYSA-N 0 0 261.365 2.702 20 10 CFCDRN CC[N@H+](CCn1cccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237621639 779145400 /nfs/dbraw/zinc/14/54/00/779145400.db2.gz DPDMFQATYACZDU-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1CO ZINC001237618842 779145561 /nfs/dbraw/zinc/14/55/61/779145561.db2.gz JNDJPPOASDIRSM-NSHDSACASA-N 0 0 273.735 2.532 20 10 CFCDRN C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001237620818 779145652 /nfs/dbraw/zinc/14/56/52/779145652.db2.gz QMZWETHEQBFKSH-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN CN1CCC([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619399 779145601 /nfs/dbraw/zinc/14/56/01/779145601.db2.gz NNHOZLIUGGHCFI-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237620251 779146189 /nfs/dbraw/zinc/14/61/89/779146189.db2.gz LXTZPTQCZKOWAX-CYBMUJFWSA-N 0 0 298.789 2.855 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]12 ZINC001237800323 779181687 /nfs/dbraw/zinc/18/16/87/779181687.db2.gz JMQRQTGLBCPSST-BXKDBHETSA-N 0 0 297.757 2.986 20 10 CFCDRN CC[N@H+](CCn1cccn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800133 779182196 /nfs/dbraw/zinc/18/21/96/779182196.db2.gz XSEIYBVYSGUKGM-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN CN(CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237809574 779185436 /nfs/dbraw/zinc/18/54/36/779185436.db2.gz IIWZTAZVVVURMF-UHFFFAOYSA-N 0 0 274.767 2.568 20 10 CFCDRN CC[C@@H](C)n1nccc1C(=O)N(C)c1ccc(N)cc1 ZINC001122174417 779197804 /nfs/dbraw/zinc/19/78/04/779197804.db2.gz PJFLCDMIFVEBTN-LLVKDONJSA-N 0 0 272.352 2.713 20 10 CFCDRN Cc1[nH]ccc1C(=O)NCCCSc1nccs1 ZINC000176481856 779200171 /nfs/dbraw/zinc/20/01/71/779200171.db2.gz ILWCKKJRUYCTFE-UHFFFAOYSA-N 0 0 281.406 2.692 20 10 CFCDRN Cc1ccc(NC(=O)NCc2ccc(O)c(O)c2)s1 ZINC000176500146 779201811 /nfs/dbraw/zinc/20/18/11/779201811.db2.gz BSULZNIZZTURCM-UHFFFAOYSA-N 0 0 278.333 2.789 20 10 CFCDRN Cc1cccc(NC(=O)NCc2ccc(O)c(O)c2)c1 ZINC000176499980 779201983 /nfs/dbraw/zinc/20/19/83/779201983.db2.gz IIFQMVALNXGAFH-UHFFFAOYSA-N 0 0 272.304 2.728 20 10 CFCDRN COC[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935826 779209194 /nfs/dbraw/zinc/20/91/94/779209194.db2.gz ZJZLGXRRWMQNRA-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN Cc1nc(CC[N@@H+](C)Cc2cc(F)c(Cl)cc2[O-])no1 ZINC001237933358 779209565 /nfs/dbraw/zinc/20/95/65/779209565.db2.gz AEKGPXSGXVDDQR-UHFFFAOYSA-N 0 0 299.733 2.551 20 10 CFCDRN CN(Cc1cncnc1)Cc1cc(F)c(Cl)cc1O ZINC001237940565 779211456 /nfs/dbraw/zinc/21/14/56/779211456.db2.gz BBUSONCKNPSPFO-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])[C@H]1CO ZINC001237934983 779212212 /nfs/dbraw/zinc/21/22/12/779212212.db2.gz ONBDITDSDAVCAL-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@@H](C)O1 ZINC001237946395 779213048 /nfs/dbraw/zinc/21/30/48/779213048.db2.gz KZWQEBGEIPACQV-RKDXNWHRSA-N 0 0 273.735 2.794 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H](C)O1 ZINC001237946393 779213104 /nfs/dbraw/zinc/21/31/04/779213104.db2.gz KZWQEBGEIPACQV-IUCAKERBSA-N 0 0 273.735 2.794 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000699248770 779228372 /nfs/dbraw/zinc/22/83/72/779228372.db2.gz XGGXOHOUGQCCDH-GHMZBOCLSA-N 0 0 263.312 2.576 20 10 CFCDRN CCC[N@H+](CCOC)Cc1cc(F)cc(C)c1O ZINC001238056313 779241028 /nfs/dbraw/zinc/24/10/28/779241028.db2.gz GTFVNFMFARVEHO-UHFFFAOYSA-N 0 0 255.333 2.698 20 10 CFCDRN Cc1cc(F)cc(C[N@H+](C)CCc2ccccn2)c1O ZINC001238056325 779241122 /nfs/dbraw/zinc/24/11/22/779241122.db2.gz GZIQHTJNFGTNPD-UHFFFAOYSA-N 0 0 274.339 2.909 20 10 CFCDRN Cc1cc(CN(C)Cc2cc(F)cc(C)c2O)n(C)n1 ZINC001238061831 779242890 /nfs/dbraw/zinc/24/28/90/779242890.db2.gz JNDOTZYLSHRLGV-UHFFFAOYSA-N 0 0 277.343 2.514 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001238067309 779243674 /nfs/dbraw/zinc/24/36/74/779243674.db2.gz NTVBBVAIRSAGJT-AWEZNQCLSA-N 0 0 295.354 2.567 20 10 CFCDRN Cc1cc(F)cc(CN(C)Cc2cncs2)c1O ZINC001238068783 779244553 /nfs/dbraw/zinc/24/45/53/779244553.db2.gz WFOVOLOPZXKZOY-UHFFFAOYSA-N 0 0 266.341 2.928 20 10 CFCDRN Cc1cc(F)cc(CN2Cc3ncsc3C2)c1O ZINC001238065781 779244648 /nfs/dbraw/zinc/24/46/48/779244648.db2.gz FHIQNVDLGKRQSO-UHFFFAOYSA-N 0 0 264.325 2.812 20 10 CFCDRN Cc1cc(F)cc(CN2CCO[C@H](C(F)(F)F)C2)c1O ZINC001238065829 779244689 /nfs/dbraw/zinc/24/46/89/779244689.db2.gz BKINSFYFCKAQSS-NSHDSACASA-N 0 0 293.260 2.603 20 10 CFCDRN Cc1noc([C@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238070841 779246924 /nfs/dbraw/zinc/24/69/24/779246924.db2.gz PYBZSFVDDDIVEX-NSHDSACASA-N 0 0 291.326 2.521 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238071518 779247017 /nfs/dbraw/zinc/24/70/17/779247017.db2.gz YTLIHYRQQIGTHO-AWEZNQCLSA-N 0 0 267.344 2.841 20 10 CFCDRN CCOc1cc(C)c(-c2ncnc3c2ccn3C)cn1 ZINC001238972674 779427774 /nfs/dbraw/zinc/42/77/74/779427774.db2.gz SWAHYWSATSVFMR-UHFFFAOYSA-N 0 0 268.320 2.737 20 10 CFCDRN CCCC[C@H](CC)C(=O)NCc1cccc(O)c1O ZINC001123978637 779520040 /nfs/dbraw/zinc/52/00/40/779520040.db2.gz WNAGPTLAJVIMNN-NSHDSACASA-N 0 0 265.353 2.930 20 10 CFCDRN CO[C@@H](C)C1C[NH+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941603 779724778 /nfs/dbraw/zinc/72/47/78/779724778.db2.gz ZBIJDKTXLMMKSV-QMMMGPOBSA-N 0 0 273.735 2.651 20 10 CFCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2ccccc21 ZINC001124888211 779732073 /nfs/dbraw/zinc/73/20/73/779732073.db2.gz AXTULYHUJHBNNC-CMDGGOBGSA-N 0 0 280.327 2.829 20 10 CFCDRN Cc1cnc(C)c(-c2nc(C)nc3c2ccn3C)c1 ZINC001239893047 779849866 /nfs/dbraw/zinc/84/98/66/779849866.db2.gz KOFYMQODSUIWDA-UHFFFAOYSA-N 0 0 252.321 2.956 20 10 CFCDRN Cc1cc(F)c(-c2noc(-c3csnn3)n2)cc1F ZINC001212361797 779993029 /nfs/dbraw/zinc/99/30/29/779993029.db2.gz GMEVMULWBHWCRS-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN CCOc1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362464 779994034 /nfs/dbraw/zinc/99/40/34/779994034.db2.gz WBQUDCZEEBDOKC-UHFFFAOYSA-N 0 0 274.305 2.654 20 10 CFCDRN Cc1cc(F)c(F)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362397 779994216 /nfs/dbraw/zinc/99/42/16/779994216.db2.gz RCHLFSYBRSIFJZ-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN Cc1snnc1-c1nc(-c2cccc3c2CCC3=O)no1 ZINC001212405048 780094677 /nfs/dbraw/zinc/09/46/77/780094677.db2.gz FMAVWLMGGBZNHL-UHFFFAOYSA-N 0 0 298.327 2.692 20 10 CFCDRN COc1ccc(F)cc1-c1noc(-c2nnsc2C)n1 ZINC001212405432 780094996 /nfs/dbraw/zinc/09/49/96/780094996.db2.gz SWJCMSOFWZZTGI-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN Cc1snnc1-c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001212405578 780096052 /nfs/dbraw/zinc/09/60/52/780096052.db2.gz WYUHECRDLCRCOQ-UHFFFAOYSA-N 0 0 298.249 2.981 20 10 CFCDRN COc1ncc(-c2ccc3ccn(C)c3c2)c(C)n1 ZINC001240575054 780265499 /nfs/dbraw/zinc/26/54/99/780265499.db2.gz QMPKIKQUYLZTAQ-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN COCCn1cc(-c2ccc(-n3c(C)ccc3C)nc2)cn1 ZINC001240630654 780309288 /nfs/dbraw/zinc/30/92/88/780309288.db2.gz XUVYAJDIVWZMHJ-UHFFFAOYSA-N 0 0 296.374 2.999 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn([C@H]2CCCCO2)c1 ZINC001240672178 780346128 /nfs/dbraw/zinc/34/61/28/780346128.db2.gz LSNRSZQBPQHALX-CYBMUJFWSA-N 0 0 283.335 2.531 20 10 CFCDRN CCC[C@H](C)NC(=O)[C@H](C)Sc1nccs1 ZINC000133244245 780438008 /nfs/dbraw/zinc/43/80/08/780438008.db2.gz FOBLSIPWQDLJEK-IUCAKERBSA-N 0 0 258.412 2.929 20 10 CFCDRN CC(=O)Nc1cc(C)c(C)cc1-c1ccn(C)c(=O)c1 ZINC001240991671 780578543 /nfs/dbraw/zinc/57/85/43/780578543.db2.gz QQLYARVWNRSTRE-UHFFFAOYSA-N 0 0 270.332 2.628 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000922890786 780585927 /nfs/dbraw/zinc/58/59/27/780585927.db2.gz OWNCHQTYFBAWHT-AWEZNQCLSA-N 0 0 295.333 2.891 20 10 CFCDRN C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000700787610 780720215 /nfs/dbraw/zinc/72/02/15/780720215.db2.gz JCIBFGCMVPBXSW-LLVKDONJSA-N 0 0 284.350 2.634 20 10 CFCDRN O=C(/C=C/c1cccc(F)c1)NCc1ccccc1O ZINC000701168496 780771518 /nfs/dbraw/zinc/77/15/18/780771518.db2.gz BDYPSYWYLOLCRH-CMDGGOBGSA-N 0 0 271.291 2.861 20 10 CFCDRN O=c1cc2[nH]cc(C3=CCN(c4ccccc4)CC3)cc-2[nH]1 ZINC001241352471 780803852 /nfs/dbraw/zinc/80/38/52/780803852.db2.gz WBKDIGQFQVXGAW-UHFFFAOYSA-N 0 0 291.354 2.870 20 10 CFCDRN Nc1ccc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355886 780805071 /nfs/dbraw/zinc/80/50/71/780805071.db2.gz XHJKODUQOPBEFZ-UHFFFAOYSA-N 0 0 251.333 2.958 20 10 CFCDRN Fc1cnc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241356207 780805684 /nfs/dbraw/zinc/80/56/84/780805684.db2.gz VZECNYFOWHVNLR-UHFFFAOYSA-N 0 0 255.296 2.909 20 10 CFCDRN CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701660916 780822054 /nfs/dbraw/zinc/82/20/54/780822054.db2.gz HTIQGEFDTBSNAO-NSHDSACASA-N 0 0 255.745 2.656 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3cnc4cccnc4c3)cc21 ZINC001241383231 780837626 /nfs/dbraw/zinc/83/76/26/780837626.db2.gz POZLQMWTHJTQRK-UHFFFAOYSA-N 0 0 288.310 2.544 20 10 CFCDRN CCCCOCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259294 781000511 /nfs/dbraw/zinc/00/05/11/781000511.db2.gz VVBHPWWRHYEOGM-UHFFFAOYSA-N 0 0 273.323 2.967 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232528 781000625 /nfs/dbraw/zinc/00/06/25/781000625.db2.gz DLYYZTYQPSKWEI-NMSKTSORSA-N 0 0 271.307 2.572 20 10 CFCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703286307 781003508 /nfs/dbraw/zinc/00/35/08/781003508.db2.gz ODIMXDCJDLNPSI-LLVKDONJSA-N 0 0 284.350 2.633 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCS2)ccc(F)c1F ZINC000703255707 781004325 /nfs/dbraw/zinc/00/43/25/781004325.db2.gz HNGUSUYUNRWQIN-VIFPVBQESA-N 0 0 259.321 2.656 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258458 781005750 /nfs/dbraw/zinc/00/57/50/781005750.db2.gz GIJQMZZNSPAXCY-LBPRGKRZSA-N 0 0 273.323 2.557 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H](C)OC ZINC000703447892 781015251 /nfs/dbraw/zinc/01/52/51/781015251.db2.gz NMMGSJLXYBIDRU-SECBINFHSA-N 0 0 259.296 2.527 20 10 CFCDRN CC(C)O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703500557 781017271 /nfs/dbraw/zinc/01/72/71/781017271.db2.gz DMFUCXCKQZBHMX-LLVKDONJSA-N 0 0 271.307 2.670 20 10 CFCDRN CO[C@]1(C)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703543429 781024841 /nfs/dbraw/zinc/02/48/41/781024841.db2.gz UNOKLIHQBVYSHG-CQSZACIVSA-N 0 0 271.307 2.671 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000703539421 781026828 /nfs/dbraw/zinc/02/68/28/781026828.db2.gz BLODUSIKVIQQOJ-MWLCHTKSSA-N 0 0 271.307 2.670 20 10 CFCDRN CCOC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703540848 781027445 /nfs/dbraw/zinc/02/74/45/781027445.db2.gz KCTIADLYJHYQKW-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN CSc1ncc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001241631183 781032164 /nfs/dbraw/zinc/03/21/64/781032164.db2.gz MHXHNXFRVRTBGZ-UHFFFAOYSA-N 0 0 275.377 2.683 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ncccc1Cl ZINC000704225149 781092068 /nfs/dbraw/zinc/09/20/68/781092068.db2.gz PKDSAAARLKAQTM-UHFFFAOYSA-N 0 0 276.723 2.713 20 10 CFCDRN CC(=O)N1CC=C(c2ccc(N(C)C)c(C)c2)CC1 ZINC001241970140 781211080 /nfs/dbraw/zinc/21/10/80/781211080.db2.gz XHFKWEPUJQYLRZ-UHFFFAOYSA-N 0 0 258.365 2.697 20 10 CFCDRN C[C@@H](N[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000707224413 781235241 /nfs/dbraw/zinc/23/52/41/781235241.db2.gz WOAVKQGLGCMQJD-MNOVXSKESA-N 0 0 265.353 2.773 20 10 CFCDRN CCOCC[N@H+](CC)Cc1cc(F)cc(F)c1[O-] ZINC000708383591 781271964 /nfs/dbraw/zinc/27/19/64/781271964.db2.gz MPOVZBKTEFUQHK-UHFFFAOYSA-N 0 0 259.296 2.529 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OCC ZINC000708393961 781272411 /nfs/dbraw/zinc/27/24/11/781272411.db2.gz MNNSAYBSRPWERM-LBPRGKRZSA-N 0 0 273.323 2.965 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708413881 781272945 /nfs/dbraw/zinc/27/29/45/781272945.db2.gz ORJHSVZVOMDABX-GFCCVEGCSA-N 0 0 271.307 2.671 20 10 CFCDRN CCO[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412517 781273169 /nfs/dbraw/zinc/27/31/69/781273169.db2.gz ICXLUSVDPBJMCM-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN C[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])CCC1(C)C ZINC000708414339 781273660 /nfs/dbraw/zinc/27/36/60/781273660.db2.gz RARPDQHUHLIICQ-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CS1 ZINC000708465228 781275933 /nfs/dbraw/zinc/27/59/33/781275933.db2.gz DWCQQYPYROYUDW-OIBJUYFYSA-N 0 0 259.321 2.654 20 10 CFCDRN Cc1cc(N)ncc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001242095927 781277752 /nfs/dbraw/zinc/27/77/52/781277752.db2.gz SXCQFCWZSPCQNM-UHFFFAOYSA-N 0 0 291.354 2.849 20 10 CFCDRN Cc1noc(C)c1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001242109051 781284703 /nfs/dbraw/zinc/28/47/03/781284703.db2.gz XUUKGAVGXSRYMO-UHFFFAOYSA-N 0 0 281.315 2.563 20 10 CFCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535885 781292497 /nfs/dbraw/zinc/29/24/97/781292497.db2.gz SGNORXLWQVSQRL-LLVKDONJSA-N 0 0 273.323 2.557 20 10 CFCDRN CCOC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)C ZINC000708535208 781293141 /nfs/dbraw/zinc/29/31/41/781293141.db2.gz JMIWVLFXHVNQQF-ZDUSSCGKSA-N 0 0 273.323 2.821 20 10 CFCDRN C[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000709338887 781309968 /nfs/dbraw/zinc/30/99/68/781309968.db2.gz DKOBUPBMKBEPTO-LBPRGKRZSA-N 0 0 289.253 2.512 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(C(C)C)c2)n1 ZINC001242436399 781502369 /nfs/dbraw/zinc/50/23/69/781502369.db2.gz GRROVWSWKJPOSD-UHFFFAOYSA-N 0 0 255.325 2.721 20 10 CFCDRN Cn1c(=O)cc(-c2cnn(C(F)(F)F)c2)c2ccccc21 ZINC001242466761 781521365 /nfs/dbraw/zinc/52/13/65/781521365.db2.gz WASQNIFOMDMDMX-UHFFFAOYSA-N 0 0 293.248 2.878 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cncc(N2CCCC2)c1 ZINC001242617540 781647600 /nfs/dbraw/zinc/64/76/00/781647600.db2.gz PXRMCCZNYGERPG-UHFFFAOYSA-N 0 0 279.347 2.631 20 10 CFCDRN COCc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001242956692 781874878 /nfs/dbraw/zinc/87/48/78/781874878.db2.gz GGTWINPOQXIGBG-UHFFFAOYSA-N 0 0 280.327 2.747 20 10 CFCDRN C/C(=C(/F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000821768668 781885500 /nfs/dbraw/zinc/88/55/00/781885500.db2.gz YFJLOQSTUWOZMC-KOUBLQELSA-N 0 0 293.338 2.799 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615755 282314027 /nfs/dbraw/zinc/31/40/27/282314027.db2.gz XHQKGNPQXJGKMU-JTQLQIEISA-N 0 0 282.340 2.502 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccccc1 ZINC000005955628 346213636 /nfs/dbraw/zinc/21/36/36/346213636.db2.gz WWVKQTNONPWVEL-CLFYSBASSA-N 0 0 270.284 2.854 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]1C ZINC000047099534 346445149 /nfs/dbraw/zinc/44/51/49/346445149.db2.gz WKILZUFSHOEYPW-DZGCQCFKSA-N 0 0 289.423 2.940 20 10 CFCDRN CCOCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000047058741 346443696 /nfs/dbraw/zinc/44/36/96/346443696.db2.gz LMDZCMNSVZDAJT-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc[nH]n1 ZINC000049612741 346483899 /nfs/dbraw/zinc/48/38/99/346483899.db2.gz GUIKDSJAXHRAIE-UHFFFAOYSA-N 0 0 298.390 2.672 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000060847390 346672017 /nfs/dbraw/zinc/67/20/17/346672017.db2.gz NBGOSVUKXMUSDZ-UHFFFAOYSA-N 0 0 286.335 2.692 20 10 CFCDRN CC(C)CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065420252 346734446 /nfs/dbraw/zinc/73/44/46/346734446.db2.gz HXMJKDITOYWNIR-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000065537547 346736344 /nfs/dbraw/zinc/73/63/44/346736344.db2.gz AYNQQSOYWZZJPO-CYBMUJFWSA-N 0 0 278.396 2.574 20 10 CFCDRN Cc1cc(F)cc2c1N(C(=O)/C=C/c1cnccn1)CCC2 ZINC000066786595 346779179 /nfs/dbraw/zinc/77/91/79/346779179.db2.gz QZADURBEYCPCFA-SNAWJCMRSA-N 0 0 297.333 2.917 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)COCC1CC1 ZINC000066096318 346747922 /nfs/dbraw/zinc/74/79/22/346747922.db2.gz BQCYOLDMPVCFSQ-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN Cc1nsc(NCc2ccc(N(C)C)cc2C)n1 ZINC000078264429 347236099 /nfs/dbraw/zinc/23/60/99/347236099.db2.gz FKGJQEBCVPAVIY-UHFFFAOYSA-N 0 0 262.382 2.833 20 10 CFCDRN Cc1cc(N(C)Cc2ccccc2O)ncc1[N+](=O)[O-] ZINC000089635694 347524416 /nfs/dbraw/zinc/52/44/16/347524416.db2.gz IRQIGMLKJHFUJB-UHFFFAOYSA-N 0 0 273.292 2.640 20 10 CFCDRN CCCCO[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000147020231 347947026 /nfs/dbraw/zinc/94/70/26/347947026.db2.gz WLRFXTUGNVMQFL-AWEZNQCLSA-N 0 0 292.423 2.916 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000273606688 293547826 /nfs/dbraw/zinc/54/78/26/293547826.db2.gz UHOFFLWYNFPWNJ-YGRLFVJLSA-N 0 0 282.340 2.622 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ncc2c(n1)COC2 ZINC000630956654 355228672 /nfs/dbraw/zinc/22/86/72/355228672.db2.gz DTAUDPMIAUJZDO-UHFFFAOYSA-N 0 0 294.358 2.919 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccsn1 ZINC000294589367 540133442 /nfs/dbraw/zinc/13/34/42/540133442.db2.gz UGBVRMPPNMAKOI-UHFFFAOYSA-N 0 0 287.388 2.673 20 10 CFCDRN CC(C)(C)C(=O)CCCC(=O)NCc1ccccc1O ZINC000294764329 199172174 /nfs/dbraw/zinc/17/21/74/199172174.db2.gz BKODOQDDKSCRCO-UHFFFAOYSA-N 0 0 277.364 2.794 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3cnccc3Cl)cc21 ZINC001243044364 781948917 /nfs/dbraw/zinc/94/89/17/781948917.db2.gz OXQSBNYNUWHFRT-UHFFFAOYSA-N 0 0 271.707 2.649 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000062747569 296114828 /nfs/dbraw/zinc/11/48/28/296114828.db2.gz JXHMKFYTADYVNX-LLVKDONJSA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)c(F)c1[O-] ZINC000377407381 299395964 /nfs/dbraw/zinc/39/59/64/299395964.db2.gz AEUXALAQVLTPHT-DTWKUNHWSA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000019256022 372150951 /nfs/dbraw/zinc/15/09/51/372150951.db2.gz PIOLDEYAWWHAQP-GFCCVEGCSA-N 0 0 254.333 2.689 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738205 372693503 /nfs/dbraw/zinc/69/35/03/372693503.db2.gz JIZXKKXXWGHYEG-QMMMGPOBSA-N 0 0 276.163 2.825 20 10 CFCDRN CCOc1cccc(CN(C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093773069 375311302 /nfs/dbraw/zinc/31/13/02/375311302.db2.gz GTRVBOJWOKMATL-GFCCVEGCSA-N 0 0 295.379 2.563 20 10 CFCDRN CCCCOCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000118307166 376286132 /nfs/dbraw/zinc/28/61/32/376286132.db2.gz LXLZJQBXQQREBG-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN COCCC[N@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC000124563335 377063581 /nfs/dbraw/zinc/06/35/81/377063581.db2.gz BUHDJSMBHFTGNC-UHFFFAOYSA-N 0 0 287.787 2.531 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000124577749 377065597 /nfs/dbraw/zinc/06/55/97/377065597.db2.gz VFLIEFRYUYRTTQ-CYBMUJFWSA-N 0 0 280.799 2.716 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCOCC1CC1 ZINC000124674213 377074040 /nfs/dbraw/zinc/07/40/40/377074040.db2.gz LRGGSHRADDBDOS-UHFFFAOYSA-N 0 0 269.772 2.952 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCO1 ZINC000124704915 377079975 /nfs/dbraw/zinc/07/99/75/377079975.db2.gz JNCPMDWXLOOIHV-JOYOIKCWSA-N 0 0 255.745 2.703 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124735108 377082738 /nfs/dbraw/zinc/08/27/38/377082738.db2.gz DOCFJAKMLUYLGL-LLVKDONJSA-N 0 0 257.761 2.542 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000125543688 377167802 /nfs/dbraw/zinc/16/78/02/377167802.db2.gz RDPDIUVTNUUNKZ-ZDUSSCGKSA-N 0 0 266.360 2.503 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C3CC3)no2)c(OC)c1 ZINC000131749066 377755871 /nfs/dbraw/zinc/75/58/71/377755871.db2.gz QVSXZKRORSCIRY-UHFFFAOYSA-N 0 0 289.335 2.601 20 10 CFCDRN COCCn1cc(NCc2c(O)cccc2Cl)cn1 ZINC000133757354 377955662 /nfs/dbraw/zinc/95/56/62/377955662.db2.gz LSKQNDXNZLAHIG-UHFFFAOYSA-N 0 0 281.743 2.501 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000134183483 377991064 /nfs/dbraw/zinc/99/10/64/377991064.db2.gz WWNYUDWEROECNC-UHFFFAOYSA-N 0 0 276.163 2.921 20 10 CFCDRN COCCCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000151625743 378341741 /nfs/dbraw/zinc/34/17/41/378341741.db2.gz VSKKVHSGBHMSCV-UHFFFAOYSA-N 0 0 295.770 2.891 20 10 CFCDRN Cc1ccc(O[C@@H](C)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000151722857 378353486 /nfs/dbraw/zinc/35/34/86/378353486.db2.gz PPXAWOFXMPKHNB-AWEZNQCLSA-N 0 0 298.386 2.703 20 10 CFCDRN CCCN(Cc1ccccc1O)c1ccnc(C)n1 ZINC000154408806 378564688 /nfs/dbraw/zinc/56/46/88/378564688.db2.gz ODZJKAWEUJFSKX-UHFFFAOYSA-N 0 0 257.337 2.907 20 10 CFCDRN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000529646471 383740611 /nfs/dbraw/zinc/74/06/11/383740611.db2.gz ZUACDEWZTNBODX-LKFCYVNXSA-N 0 0 285.746 2.842 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC2CCC2)cc1 ZINC000175391491 380056032 /nfs/dbraw/zinc/05/60/32/380056032.db2.gz TVPFXRSMNDVFKE-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175638167 380105094 /nfs/dbraw/zinc/10/50/94/380105094.db2.gz JIQMXBBDOQLZPV-AWEZNQCLSA-N 0 0 287.407 2.981 20 10 CFCDRN COc1cc(N(C)CCCCCCO)cc(OC)c1OC ZINC000175775030 380129483 /nfs/dbraw/zinc/12/94/83/380129483.db2.gz UKELPORSOAIYCY-UHFFFAOYSA-N 0 0 297.395 2.701 20 10 CFCDRN CO[C@@H](C)c1noc(CSc2nccs2)n1 ZINC000177257404 380322774 /nfs/dbraw/zinc/32/27/74/380322774.db2.gz FRVNMPSDCCHFNT-LURJTMIESA-N 0 0 257.340 2.526 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3sccc3C2)c(O)c1O ZINC000177666495 380363831 /nfs/dbraw/zinc/36/38/31/380363831.db2.gz GBDIFEIQNDJDLH-UHFFFAOYSA-N 0 0 289.356 2.666 20 10 CFCDRN Cn1cccc1C(=O)COc1ccc(N2CCCC2)cc1 ZINC000178195806 380419844 /nfs/dbraw/zinc/41/98/44/380419844.db2.gz AQUUODGQZJKVBT-UHFFFAOYSA-N 0 0 284.359 2.887 20 10 CFCDRN NC(=O)c1ccc(COc2ccc(N3CCCC3)cc2)cc1 ZINC000178197392 380421165 /nfs/dbraw/zinc/42/11/65/380421165.db2.gz PNJLIYWOOGXECC-UHFFFAOYSA-N 0 0 296.370 2.965 20 10 CFCDRN CC(C)c1noc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000178880644 380491775 /nfs/dbraw/zinc/49/17/75/380491775.db2.gz OEFMWFDIKLVXPI-UHFFFAOYSA-N 0 0 275.308 2.558 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179110160 380510753 /nfs/dbraw/zinc/51/07/53/380510753.db2.gz LZWGRUZBDFDRHE-CQSZACIVSA-N 0 0 290.407 2.718 20 10 CFCDRN CC[C@H](C)OCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000179156833 380516168 /nfs/dbraw/zinc/51/61/68/380516168.db2.gz MPBLYYQDPNVMAC-AWEZNQCLSA-N 0 0 292.423 2.964 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179667516 380570378 /nfs/dbraw/zinc/57/03/78/380570378.db2.gz GVHMDHXOJBPCQI-FOSCPWQOSA-N 0 0 267.756 2.533 20 10 CFCDRN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179843942 380585544 /nfs/dbraw/zinc/58/55/44/380585544.db2.gz PQOLHFBTNSWFLV-GFCCVEGCSA-N 0 0 297.782 2.821 20 10 CFCDRN Oc1ccc(F)cc1CN1CCO[C@@H](c2ccco2)C1 ZINC000180243300 380638596 /nfs/dbraw/zinc/63/85/96/380638596.db2.gz VYBXPPAJZLWABW-OAHLLOKOSA-N 0 0 277.295 2.698 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179923869 380597517 /nfs/dbraw/zinc/59/75/17/380597517.db2.gz CWKXRZTVIXYIHT-UHFFFAOYSA-N 0 0 280.799 2.716 20 10 CFCDRN COc1ccc(C[N@H+](C)Cc2cc(F)ccc2O)cc1O ZINC000179974035 380605699 /nfs/dbraw/zinc/60/56/99/380605699.db2.gz DVTMPSUWYFXNIV-UHFFFAOYSA-N 0 0 291.322 2.878 20 10 CFCDRN COc1ccc(O)c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000180491919 380668082 /nfs/dbraw/zinc/66/80/82/380668082.db2.gz MBUKXBUNFAHEOA-NSHDSACASA-N 0 0 295.379 2.563 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180634574 380684809 /nfs/dbraw/zinc/68/48/09/380684809.db2.gz LWAKELYQXCWSFU-FXSSULRXSA-N 0 0 275.348 2.806 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)c1 ZINC000180668960 380688220 /nfs/dbraw/zinc/68/82/20/380688220.db2.gz QDLUQZZOBXVUNI-OAHLLOKOSA-N 0 0 281.421 2.974 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000180817695 380702972 /nfs/dbraw/zinc/70/29/72/380702972.db2.gz HEUIPKGXBHQMGO-BIYBCCJYSA-N 0 0 287.359 2.902 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1=CCCC1 ZINC000181255978 380766365 /nfs/dbraw/zinc/76/63/65/380766365.db2.gz XLRKQVWFDLMPAF-SOFGYWHQSA-N 0 0 273.332 2.728 20 10 CFCDRN Cc1cnc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000181125004 380744295 /nfs/dbraw/zinc/74/42/95/380744295.db2.gz YWNYFBSKROIIJP-UHFFFAOYSA-N 0 0 289.404 2.917 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000287394216 380823006 /nfs/dbraw/zinc/82/30/06/380823006.db2.gz IUACGCAJGVQJBK-ZKYQVNSYSA-N 0 0 295.354 2.914 20 10 CFCDRN CCc1ccnc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000181591623 380836218 /nfs/dbraw/zinc/83/62/18/380836218.db2.gz OBJFWHBPQSSJSE-UHFFFAOYSA-N 0 0 270.332 2.622 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287526716 380856667 /nfs/dbraw/zinc/85/66/67/380856667.db2.gz OSVXZMKYRFIWQA-GRYCIOLGSA-N 0 0 267.344 2.855 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cccc(Cl)c1[O-] ZINC000287740562 380925518 /nfs/dbraw/zinc/92/55/18/380925518.db2.gz PQSSRRIGCFFAHF-OLZOCXBDSA-N 0 0 296.798 2.755 20 10 CFCDRN Cc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c(O)c1O ZINC000181783447 380893559 /nfs/dbraw/zinc/89/35/59/380893559.db2.gz QKWAHXIHWNZXNP-UHFFFAOYSA-N 0 0 298.342 2.606 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ocnc2C2CC2)cc1 ZINC000289075946 381022625 /nfs/dbraw/zinc/02/26/25/381022625.db2.gz KDANOEQNLOMCHO-UHFFFAOYSA-N 0 0 299.374 2.890 20 10 CFCDRN CC(C)n1cc(CN(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000289207957 381029050 /nfs/dbraw/zinc/02/90/50/381029050.db2.gz WGGPGCCPBSODSX-UHFFFAOYSA-N 0 0 287.411 2.557 20 10 CFCDRN C[C@@H](Sc1nccs1)C(=O)C1CCOCC1 ZINC000295672336 381007056 /nfs/dbraw/zinc/00/70/56/381007056.db2.gz GEBJJHPELMLVIK-MRVPVSSYSA-N 0 0 257.380 2.619 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)c(O)c1O ZINC000182324632 381063205 /nfs/dbraw/zinc/06/32/05/381063205.db2.gz CBYOVBGTYMSPSM-CYBMUJFWSA-N 0 0 275.348 2.811 20 10 CFCDRN CCCC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000182434218 381088223 /nfs/dbraw/zinc/08/82/23/381088223.db2.gz PSCFVGJPABHBAT-SMDDNHRTSA-N 0 0 295.379 2.783 20 10 CFCDRN CCCC[C@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000182434234 381088488 /nfs/dbraw/zinc/08/84/88/381088488.db2.gz PSCFVGJPABHBAT-RISCZKNCSA-N 0 0 295.379 2.783 20 10 CFCDRN CCCC[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000182434254 381088579 /nfs/dbraw/zinc/08/85/79/381088579.db2.gz PSCFVGJPABHBAT-BXUZGUMPSA-N 0 0 295.379 2.783 20 10 CFCDRN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182462297 381093471 /nfs/dbraw/zinc/09/34/71/381093471.db2.gz RBMQTVPTDPNZSN-NSHDSACASA-N 0 0 293.798 2.976 20 10 CFCDRN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000182636946 381125962 /nfs/dbraw/zinc/12/59/62/381125962.db2.gz XEFGOHKJWKOHHO-GOEBONIOSA-N 0 0 290.407 2.574 20 10 CFCDRN COC(=O)c1cnc(SC[C@H](O)CCC(C)C)s1 ZINC000295949127 381173702 /nfs/dbraw/zinc/17/37/02/381173702.db2.gz IOKYMYQNGFSAHW-SECBINFHSA-N 0 0 289.422 2.819 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000296020704 381215158 /nfs/dbraw/zinc/21/51/58/381215158.db2.gz OEORDECZZLARSW-CQSZACIVSA-N 0 0 290.407 2.826 20 10 CFCDRN CCC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183421495 381269786 /nfs/dbraw/zinc/26/97/86/381269786.db2.gz YVHOBMVOGFKFAA-GHMZBOCLSA-N 0 0 265.353 2.581 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)C(F)F ZINC000296535855 381437208 /nfs/dbraw/zinc/43/72/08/381437208.db2.gz QRTOAQPHYUYFKT-JWYUURKGSA-N 0 0 277.286 2.587 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nccn1CC)c1ccc(F)cc1[O-] ZINC000296597938 381465117 /nfs/dbraw/zinc/46/51/17/381465117.db2.gz VJRBDOKBSZYYSM-CYBMUJFWSA-N 0 0 277.343 2.989 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000371412895 381618803 /nfs/dbraw/zinc/61/88/03/381618803.db2.gz YMKGCISFHHINHC-JKSUJKDBSA-N 0 0 260.381 2.506 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1ncnc2[nH]ccc21 ZINC000359846950 381638546 /nfs/dbraw/zinc/63/85/46/381638546.db2.gz OHQOQUARNCKBSJ-UHFFFAOYSA-N 0 0 291.358 2.792 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000359997830 381719822 /nfs/dbraw/zinc/71/98/22/381719822.db2.gz VGZLLOKUIBKPQW-UHFFFAOYSA-N 0 0 279.355 2.922 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000186086023 381820926 /nfs/dbraw/zinc/82/09/26/381820926.db2.gz YZPFWBTYUSQOGI-PWSUYJOCSA-N 0 0 294.370 2.581 20 10 CFCDRN CCO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299059092 381809724 /nfs/dbraw/zinc/80/97/24/381809724.db2.gz UZILSRZLPNDICJ-AWEZNQCLSA-N 0 0 292.423 2.915 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000186075159 381817945 /nfs/dbraw/zinc/81/79/45/381817945.db2.gz HGZFYBZCEQEKMK-WDEREUQCSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)(C)OCc1cc(CNCc2ccccc2O)no1 ZINC000186413082 381903630 /nfs/dbraw/zinc/90/36/30/381903630.db2.gz IQSZNMFGFZZUSB-UHFFFAOYSA-N 0 0 290.363 2.985 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186522910 381935435 /nfs/dbraw/zinc/93/54/35/381935435.db2.gz OESQYYNIVDYAPX-YGEYTSGZSA-N 0 0 253.317 2.509 20 10 CFCDRN COc1cccc(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c1O ZINC000376029674 382117471 /nfs/dbraw/zinc/11/74/71/382117471.db2.gz PKUDYPRBSZJTIN-KRWDZBQOSA-N 0 0 291.391 2.936 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1F ZINC000375334219 382080964 /nfs/dbraw/zinc/08/09/64/382080964.db2.gz RZWRZPIJMCFCRL-MRXNPFEDSA-N 0 0 278.371 2.503 20 10 CFCDRN CCOc1cccc(CN2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000375353599 382081738 /nfs/dbraw/zinc/08/17/38/382081738.db2.gz CGMFZNWDAOZNGU-CYBMUJFWSA-N 0 0 287.363 2.851 20 10 CFCDRN CN(Cc1cn2c(n1)CCCC2)Cc1cc(F)ccc1O ZINC000375406478 382083531 /nfs/dbraw/zinc/08/35/31/382083531.db2.gz SYLJSKBXDCSOEF-UHFFFAOYSA-N 0 0 289.354 2.696 20 10 CFCDRN CCC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000293575714 382182103 /nfs/dbraw/zinc/18/21/03/382182103.db2.gz DXYACKDNMUTSMP-JQWIXIFHSA-N 0 0 255.333 2.997 20 10 CFCDRN CCc1nc([C@H](C)NC(=O)c2cccc(O)c2O)cs1 ZINC000187513578 382199321 /nfs/dbraw/zinc/19/93/21/382199321.db2.gz FSRRFNPINQVPQW-QMMMGPOBSA-N 0 0 292.360 2.608 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000293658934 382220586 /nfs/dbraw/zinc/22/05/86/382220586.db2.gz PJPNUHCYQGQNEB-RKDXNWHRSA-N 0 0 273.735 2.699 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ncc(F)cn2)c1 ZINC000301778432 382193037 /nfs/dbraw/zinc/19/30/37/382193037.db2.gz MHCSWLPJZFAMQE-QMMMGPOBSA-N 0 0 263.272 2.503 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1C ZINC000293796878 382283428 /nfs/dbraw/zinc/28/34/28/382283428.db2.gz CYJVYTVTQDBWTQ-MRXNPFEDSA-N 0 0 275.392 2.888 20 10 CFCDRN Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C2 ZINC000363860447 382249752 /nfs/dbraw/zinc/24/97/52/382249752.db2.gz USMRUFITRDBJDM-DGCLKSJQSA-N 0 0 289.354 2.702 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C=CCCC1 ZINC000187717948 382256313 /nfs/dbraw/zinc/25/63/13/382256313.db2.gz PSQVVFIEEFKSEQ-QWHCGFSZSA-N 0 0 289.375 2.891 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187753585 382262353 /nfs/dbraw/zinc/26/23/53/382262353.db2.gz JWBUOCCCBGHOJZ-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187802521 382272333 /nfs/dbraw/zinc/27/23/33/382272333.db2.gz OBTNCYIBQCYOKO-PRHODGIISA-N 0 0 271.307 2.746 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000293998767 382372928 /nfs/dbraw/zinc/37/29/28/382372928.db2.gz SOQCWMXYTLZEEO-MRXNPFEDSA-N 0 0 291.391 2.670 20 10 CFCDRN CC(C)c1nnc2n1CCN(Cc1ccccc1O)[C@@H]2C ZINC000188449907 382416886 /nfs/dbraw/zinc/41/68/86/382416886.db2.gz UUOWPTFGNSOLLF-GFCCVEGCSA-N 0 0 286.379 2.684 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC1(F)F ZINC000294743913 382526977 /nfs/dbraw/zinc/52/69/77/382526977.db2.gz OOTNCDITVOVFBI-ZDUSSCGKSA-N 0 0 282.334 2.756 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC1(F)F ZINC000294327088 382510283 /nfs/dbraw/zinc/51/02/83/382510283.db2.gz DPLNHSQNCCXEAU-ZDUSSCGKSA-N 0 0 280.318 2.558 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccsn1 ZINC000294983116 382558171 /nfs/dbraw/zinc/55/81/71/382558171.db2.gz OAZGVLTZANTSJX-UHFFFAOYSA-N 0 0 288.372 2.658 20 10 CFCDRN CCCN(Cc1cnns1)Cc1ccccc1O ZINC000294851581 382534184 /nfs/dbraw/zinc/53/41/84/382534184.db2.gz CFWJMAIXEIPHPS-UHFFFAOYSA-N 0 0 263.366 2.656 20 10 CFCDRN CO[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000294858075 382534279 /nfs/dbraw/zinc/53/42/79/382534279.db2.gz OAYMRVOUHPOFLK-QGZVFWFLSA-N 0 0 299.370 2.608 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCCC1(F)F ZINC000295245672 382598244 /nfs/dbraw/zinc/59/82/44/382598244.db2.gz GKBBUDBDRMLOBG-LLVKDONJSA-N 0 0 299.317 2.582 20 10 CFCDRN CCC[C@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295249688 382599240 /nfs/dbraw/zinc/59/92/40/382599240.db2.gz GSJGZRDFWCDTJU-UONOGXRCSA-N 0 0 291.391 2.973 20 10 CFCDRN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000295274051 382605508 /nfs/dbraw/zinc/60/55/08/382605508.db2.gz HWOJMMUSYAMPOM-ONGXEEELSA-N 0 0 287.762 2.920 20 10 CFCDRN COC(=O)c1cnc(SCOC(=O)C(C)(C)C)s1 ZINC000295304680 382612395 /nfs/dbraw/zinc/61/23/95/382612395.db2.gz MPBSNMFRXOIIMG-UHFFFAOYSA-N 0 0 289.378 2.569 20 10 CFCDRN COC(=O)c1cnc(SCCC(F)(F)F)s1 ZINC000295167504 382579387 /nfs/dbraw/zinc/57/93/87/382579387.db2.gz HWKJJSLFSSLACL-UHFFFAOYSA-N 0 0 271.285 2.974 20 10 CFCDRN CCc1ccc(CNC(=O)Cc2ccc(N)cc2)s1 ZINC000224038354 382809039 /nfs/dbraw/zinc/80/90/39/382809039.db2.gz XCMLUPVGHDBAQC-UHFFFAOYSA-N 0 0 274.389 2.752 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000252060301 383403488 /nfs/dbraw/zinc/40/34/88/383403488.db2.gz ZTKUYBZJIVQJSQ-GCVYGYKWSA-N 0 0 265.328 2.749 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2ccc(F)cc2)cnn1C ZINC000255120508 383476158 /nfs/dbraw/zinc/47/61/58/383476158.db2.gz WOEDJSSNGOUWBH-WTKPLQERSA-N 0 0 273.311 2.544 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1cccc(F)c1 ZINC000255356127 383480357 /nfs/dbraw/zinc/48/03/57/383480357.db2.gz BOMJJOFFPPJWPJ-HJWRWDBZSA-N 0 0 287.338 2.934 20 10 CFCDRN Cc1cnc(CNCc2ccc(N(C)C)c(F)c2)s1 ZINC000266140954 384091909 /nfs/dbraw/zinc/09/19/09/384091909.db2.gz HBXGNEUWALLBQJ-UHFFFAOYSA-N 0 0 279.384 2.946 20 10 CFCDRN CCCC1(CNC(=O)NCc2ccccc2O)CC1 ZINC000268439858 384620762 /nfs/dbraw/zinc/62/07/62/384620762.db2.gz KGGQUXMNJWKJOA-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN CC(C)Oc1cc(C(=O)NCc2ccccc2O)ccn1 ZINC000268438299 384621105 /nfs/dbraw/zinc/62/11/05/384621105.db2.gz UFOUEGZNMJXYEZ-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN CCc1onc(C)c1NC(=O)NCc1ccccc1O ZINC000270426719 385099858 /nfs/dbraw/zinc/09/98/58/385099858.db2.gz RGMCJAZOCYGJQC-UHFFFAOYSA-N 0 0 275.308 2.573 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000281255599 385187030 /nfs/dbraw/zinc/18/70/30/385187030.db2.gz MWSCTMAGBFIBSN-AWEZNQCLSA-N 0 0 280.387 2.893 20 10 CFCDRN COC(=O)CC1(CN(C)c2ccc(OC)c(F)c2)CC1 ZINC000281433212 385196542 /nfs/dbraw/zinc/19/65/42/385196542.db2.gz JKCARSMUBFTWIA-UHFFFAOYSA-N 0 0 281.327 2.614 20 10 CFCDRN Cc1cc(C(=O)NCCF)c(C)n1-c1ccc(F)cc1 ZINC000281719411 385203147 /nfs/dbraw/zinc/20/31/47/385203147.db2.gz JGIRCVGOFFARGA-UHFFFAOYSA-N 0 0 278.302 2.933 20 10 CFCDRN CCCn1ncc(C(=O)NCc2ccccc2O)c1C1CC1 ZINC000270905686 385266852 /nfs/dbraw/zinc/26/68/52/385266852.db2.gz ROGAFASRAUDCNJ-UHFFFAOYSA-N 0 0 299.374 2.806 20 10 CFCDRN CCc1cccnc1C(=O)N(C)Cc1ccccc1O ZINC000271003545 385298631 /nfs/dbraw/zinc/29/86/31/385298631.db2.gz WAQJCPKNINDTJP-UHFFFAOYSA-N 0 0 270.332 2.622 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)COCCC ZINC000282509051 385330098 /nfs/dbraw/zinc/33/00/98/385330098.db2.gz OHOFHZDBUXLIPQ-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1F ZINC000271106871 385338363 /nfs/dbraw/zinc/33/83/63/385338363.db2.gz BBNWFHCYVVFMAT-CVEARBPZSA-N 0 0 278.371 2.645 20 10 CFCDRN Cc1cc(O)c(CNCc2ncnn2C(C)(C)C)cc1C ZINC000282562567 385341963 /nfs/dbraw/zinc/34/19/63/385341963.db2.gz DTRDVHYGLCRASO-UHFFFAOYSA-N 0 0 288.395 2.645 20 10 CFCDRN C[C@H](O)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271719754 385389179 /nfs/dbraw/zinc/38/91/79/385389179.db2.gz JIXIZEWEHISFKZ-JTQLQIEISA-N 0 0 269.772 2.638 20 10 CFCDRN CCC[N@H+](Cc1ccn(C)n1)Cc1ccccc1O ZINC000271207909 385375954 /nfs/dbraw/zinc/37/59/54/385375954.db2.gz SWKSHGWCAFWDJR-UHFFFAOYSA-N 0 0 259.353 2.538 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NOC2CCCC2)cc1F ZINC000271611520 385386473 /nfs/dbraw/zinc/38/64/73/385386473.db2.gz BPVUVEZKNQUKIQ-UHFFFAOYSA-N 0 0 295.358 2.565 20 10 CFCDRN CC1(C)C[C@H](NC(=O)NCc2ccccc2O)C(C)(C)O1 ZINC000272184643 385468800 /nfs/dbraw/zinc/46/88/00/385468800.db2.gz ANWGUTKYBXDVGI-ZDUSSCGKSA-N 0 0 292.379 2.538 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])n(C)n1 ZINC000284057213 385529196 /nfs/dbraw/zinc/52/91/96/385529196.db2.gz AFTNOAWSBFRPOY-VIFPVBQESA-N 0 0 281.306 2.563 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1ccc(F)cc1[O-] ZINC000285541631 385556429 /nfs/dbraw/zinc/55/64/29/385556429.db2.gz CDPHVHVLLBRQBY-DUFXMDAXSA-N 0 0 287.400 2.684 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC000285680874 385557014 /nfs/dbraw/zinc/55/70/14/385557014.db2.gz NWDFHXHJQDDOIZ-WFASDCNBSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC000285680872 385557089 /nfs/dbraw/zinc/55/70/89/385557089.db2.gz NWDFHXHJQDDOIZ-SWLSCSKDSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@H]([NH2+]CCOC(C)C)c1ccc(F)cc1[O-] ZINC000286013226 385559566 /nfs/dbraw/zinc/55/95/66/385559566.db2.gz IGINZYHVGOXBFD-ZDUSSCGKSA-N 0 0 255.333 2.997 20 10 CFCDRN CCc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC000272864492 385635747 /nfs/dbraw/zinc/63/57/47/385635747.db2.gz MRQFGMDFNDNVCZ-UHFFFAOYSA-N 0 0 257.337 2.689 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000273447831 385683227 /nfs/dbraw/zinc/68/32/27/385683227.db2.gz FNAQSDVOIBENHF-DGCLKSJQSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000273462252 385684419 /nfs/dbraw/zinc/68/44/19/385684419.db2.gz CYNALVPNEKYPMB-PGUXBMHVSA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000273460912 385684786 /nfs/dbraw/zinc/68/47/86/385684786.db2.gz CRRBGCDNPNIYLO-SECBINFHSA-N 0 0 294.292 2.676 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000273547894 385687539 /nfs/dbraw/zinc/68/75/39/385687539.db2.gz ZUQODAMHPMPXIH-NOZJJQNGSA-N 0 0 263.337 2.628 20 10 CFCDRN C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(F)cc1[O-] ZINC000273576859 385689964 /nfs/dbraw/zinc/68/99/64/385689964.db2.gz LYVOEJXFZXDHKR-LLVKDONJSA-N 0 0 275.327 2.689 20 10 CFCDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273593443 385690097 /nfs/dbraw/zinc/69/00/97/385690097.db2.gz PXHJPRSPHXMCSK-LLVKDONJSA-N 0 0 296.367 2.750 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000273606684 385691507 /nfs/dbraw/zinc/69/15/07/385691507.db2.gz UHOFFLWYNFPWNJ-IINYFYTJSA-N 0 0 282.340 2.622 20 10 CFCDRN CCC1(O)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000273686425 385694114 /nfs/dbraw/zinc/69/41/14/385694114.db2.gz AOKHFIQBLPUOPS-UHFFFAOYSA-N 0 0 299.798 2.791 20 10 CFCDRN CC(C)OC(=O)c1cccnc1NCc1ccccc1O ZINC000273902168 385697091 /nfs/dbraw/zinc/69/70/91/385697091.db2.gz WAIRERMIQGUVIC-UHFFFAOYSA-N 0 0 286.331 2.965 20 10 CFCDRN CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(F)cc1[O-] ZINC000287121707 385785854 /nfs/dbraw/zinc/78/58/54/385785854.db2.gz RECYEQRUGURAFK-AWEZNQCLSA-N 0 0 265.328 2.919 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CN(C)C)c1ccc(C)cc1O ZINC000287033151 385766882 /nfs/dbraw/zinc/76/68/82/385766882.db2.gz LYAGHXFMJSKHRZ-JSGCOSHPSA-N 0 0 250.386 2.691 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276937534 386085039 /nfs/dbraw/zinc/08/50/39/386085039.db2.gz PDUZNQWGIGVRNY-SKDRFNHKSA-N 0 0 273.323 2.992 20 10 CFCDRN CN1CCc2cc(CNC(=O)/C=C/C(C)(C)C)ccc21 ZINC000372319046 393446640 /nfs/dbraw/zinc/44/66/40/393446640.db2.gz CZOCSKGTBYUWRC-VQHVLOKHSA-N 0 0 272.392 2.897 20 10 CFCDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@@H]2CO)cc1 ZINC000372643411 393454368 /nfs/dbraw/zinc/45/43/68/393454368.db2.gz VIDGYGFAZKMQBW-OAHLLOKOSA-N 0 0 298.377 2.735 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ccoc3)C2)cc1 ZINC000374270742 393491383 /nfs/dbraw/zinc/49/13/83/393491383.db2.gz KOOATOBNFVWHPQ-UHFFFAOYSA-N 0 0 282.343 2.885 20 10 CFCDRN CC(C)OCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187915726 393559253 /nfs/dbraw/zinc/55/92/53/393559253.db2.gz KSRNSJFGSWTISL-SECBINFHSA-N 0 0 259.296 2.746 20 10 CFCDRN COc1cccc(CNC(=O)Cc2cc(C)ccc2C)c1O ZINC000105649720 393864478 /nfs/dbraw/zinc/86/44/78/393864478.db2.gz PIZBGDYZJUZOJU-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000107064790 393868976 /nfs/dbraw/zinc/86/89/76/393868976.db2.gz USKJBZJBZWCRQE-LBPRGKRZSA-N 0 0 295.354 2.592 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)C3CC3)cc2)CC1 ZINC000108295914 393873953 /nfs/dbraw/zinc/87/39/53/393873953.db2.gz WHTHUQFSHYEXRA-UHFFFAOYSA-N 0 0 272.392 2.949 20 10 CFCDRN CC(C)c1nnc(CN(C)Cc2ccccc2O)o1 ZINC000109770444 393879594 /nfs/dbraw/zinc/87/95/94/393879594.db2.gz MGGMJMBHNCPXGX-UHFFFAOYSA-N 0 0 261.325 2.531 20 10 CFCDRN CCCN(Cc1noc(CC)n1)Cc1ccccc1O ZINC000109836024 393880249 /nfs/dbraw/zinc/88/02/49/393880249.db2.gz ILDSNBGOFGPRQY-UHFFFAOYSA-N 0 0 275.352 2.750 20 10 CFCDRN CS[C@@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000119088006 393913906 /nfs/dbraw/zinc/91/39/06/393913906.db2.gz BHVGRLSOERKEHJ-LBPRGKRZSA-N 0 0 295.452 2.646 20 10 CFCDRN CN(CCCOCC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000121273238 393953063 /nfs/dbraw/zinc/95/30/63/393953063.db2.gz YJEQEZUTHUWIML-UHFFFAOYSA-N 0 0 291.269 2.821 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccnc1 ZINC000348665282 393955784 /nfs/dbraw/zinc/95/57/84/393955784.db2.gz JWOFCZAPLIRUGS-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN CCCOCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348638362 393955877 /nfs/dbraw/zinc/95/58/77/393955877.db2.gz ZRSVISLSUCULJF-UHFFFAOYSA-N 0 0 274.364 2.530 20 10 CFCDRN COCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000122210545 393966207 /nfs/dbraw/zinc/96/62/07/393966207.db2.gz RPCPMHZKGMQLBB-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnccn1 ZINC000122442171 393969024 /nfs/dbraw/zinc/96/90/24/393969024.db2.gz NURHZJMLAFPERG-NSHDSACASA-N 0 0 274.343 2.533 20 10 CFCDRN Cc1ccncc1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000492585004 394072025 /nfs/dbraw/zinc/07/20/25/394072025.db2.gz CHAGGSMIKLLTGJ-ONEGZZNKSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C/c2cncs2)n1 ZINC000492945129 394103734 /nfs/dbraw/zinc/10/37/34/394103734.db2.gz BVPVJQMURQJIDO-VOTSOKGWSA-N 0 0 259.334 2.523 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000492902265 394093597 /nfs/dbraw/zinc/09/35/97/394093597.db2.gz QOHDVFJSQWVJHG-XOIDGJRKSA-N 0 0 293.326 2.530 20 10 CFCDRN CCCC[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000281918805 394093796 /nfs/dbraw/zinc/09/37/96/394093796.db2.gz BITKRFKESNTNLE-NSHDSACASA-N 0 0 265.353 2.583 20 10 CFCDRN COc1ncc(/C=C/C(=O)N2C[C@@H](C)c3ccccc32)cn1 ZINC000493009003 394123103 /nfs/dbraw/zinc/12/31/03/394123103.db2.gz VDBVUSRAIORHHV-ABZNLYFFSA-N 0 0 295.342 2.649 20 10 CFCDRN CCn1cc(/C=C2\c3cc(C)ccc3N(C)C2=O)cn1 ZINC000290598096 394230722 /nfs/dbraw/zinc/23/07/22/394230722.db2.gz YNDHAHLTMFBHCM-RIYZIHGNSA-N 0 0 267.332 2.728 20 10 CFCDRN COc1c([O-])c(C[NH2+]C23CCC(CC2)C3)ccc1[N+](=O)[O-] ZINC000370052706 394283672 /nfs/dbraw/zinc/28/36/72/394283672.db2.gz JEBVMHDOYZSCNL-UHFFFAOYSA-N 0 0 292.335 2.731 20 10 CFCDRN CC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172697697 394373652 /nfs/dbraw/zinc/37/36/52/394373652.db2.gz XEAQCMNNGAMJJC-UHFFFAOYSA-N 0 0 287.407 2.908 20 10 CFCDRN Cn1nncc1COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164210 395192438 /nfs/dbraw/zinc/19/24/38/395192438.db2.gz LNYKQHUIXGPAFY-UHFFFAOYSA-N 0 0 296.374 2.765 20 10 CFCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273420125 292106495 /nfs/dbraw/zinc/10/64/95/292106495.db2.gz RXRSYXDBEQEOOS-LLVKDONJSA-N 0 0 287.319 2.855 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CC[C@@H]1CCOC1=O ZINC000376636227 286389077 /nfs/dbraw/zinc/38/90/77/286389077.db2.gz FPIATRJPBCQKMZ-CYBMUJFWSA-N 0 0 289.375 2.791 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287576396 286908862 /nfs/dbraw/zinc/90/88/62/286908862.db2.gz HCOBUWNEJBYWGY-JOYOIKCWSA-N 0 0 257.761 2.857 20 10 CFCDRN Cc1nc(NC(=O)Cc2ccc(N)cc2)sc1C ZINC000020185858 171049263 /nfs/dbraw/zinc/04/92/63/171049263.db2.gz YRIPQIWEPNDYBK-UHFFFAOYSA-N 0 0 261.350 2.523 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1C ZINC000022171069 171368184 /nfs/dbraw/zinc/36/81/84/171368184.db2.gz MGCQCVMYBFQENC-JMSVASOKSA-N 0 0 260.381 2.752 20 10 CFCDRN Cc1cnc(F)c(-c2nc(C)nc3c2ccn3C)c1 ZINC001243164004 782026191 /nfs/dbraw/zinc/02/61/91/782026191.db2.gz QZUOWZRDYRTHEP-UHFFFAOYSA-N 0 0 256.284 2.786 20 10 CFCDRN Cc1nsc(NCCCSc2nccs2)n1 ZINC000301792625 261340834 /nfs/dbraw/zinc/34/08/34/261340834.db2.gz RLCYGHUYEHDMEL-UHFFFAOYSA-N 0 0 272.424 2.897 20 10 CFCDRN CC(C)CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000363888585 262009904 /nfs/dbraw/zinc/00/99/04/262009904.db2.gz NLEVGDALKHCGAW-UHFFFAOYSA-N 0 0 287.407 2.817 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492763889 262234932 /nfs/dbraw/zinc/23/49/32/262234932.db2.gz JSGBYXJIJBGMHZ-SNAWJCMRSA-N 0 0 255.321 2.703 20 10 CFCDRN Cc1ccc(O)c(CN(C)Cc2nncn2C(C)C)c1 ZINC000292768890 263134969 /nfs/dbraw/zinc/13/49/69/263134969.db2.gz KEXXVQWWNHTGNF-UHFFFAOYSA-N 0 0 274.368 2.505 20 10 CFCDRN O=C(C[C@H]1CCCC1(F)F)NCCc1ccc(O)c(O)c1 ZINC000934940049 649859329 /nfs/dbraw/zinc/85/93/29/649859329.db2.gz ZJAOJOISPYZWCZ-LLVKDONJSA-N 0 0 299.317 2.582 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000934945216 649859801 /nfs/dbraw/zinc/85/98/01/649859801.db2.gz XZZURSIJUQUIAM-CLLJXQQHSA-N 0 0 275.348 2.540 20 10 CFCDRN c1[nH]c2ncccc2c1C1=CCN(c2cnccn2)CC1 ZINC000356727539 266166208 /nfs/dbraw/zinc/16/62/08/266166208.db2.gz HJBMGVLAZFXISE-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN COc1ccc(N2CCC(N(C)C(=O)C(C)C)CC2)cc1 ZINC000368849388 267208837 /nfs/dbraw/zinc/20/88/37/267208837.db2.gz BUMNKTFEYAQJPU-UHFFFAOYSA-N 0 0 290.407 2.778 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@H]2CCCCC[C@@H]21 ZINC000370492279 267322433 /nfs/dbraw/zinc/32/24/33/267322433.db2.gz PUGHLASQWUYGIS-PWSUYJOCSA-N 0 0 261.321 2.503 20 10 CFCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccc(O)cc1O ZINC000827622913 782039523 /nfs/dbraw/zinc/03/95/23/782039523.db2.gz OSSHBTQJRWIKIS-LLVKDONJSA-N 0 0 277.364 2.930 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H]2c2ncon2)cc1F ZINC000371383986 267397328 /nfs/dbraw/zinc/39/73/28/267397328.db2.gz QLRRGHHHCAJERE-CQSZACIVSA-N 0 0 290.342 2.612 20 10 CFCDRN C[N@@H+]1CC[C@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)C1 ZINC000293791170 277185938 /nfs/dbraw/zinc/18/59/38/277185938.db2.gz CMKWVTMWOUGUGR-HNNXBMFYSA-N 0 0 298.789 2.712 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000187488667 277965612 /nfs/dbraw/zinc/96/56/12/277965612.db2.gz ZQJNEMBFSDRGAM-ZIAGYGMSSA-N 0 0 288.391 2.770 20 10 CFCDRN CC[C@H]([NH2+]CCCCO)c1cccc(Cl)c1[O-] ZINC000287081770 288039688 /nfs/dbraw/zinc/03/96/88/288039688.db2.gz OSLXJIANZDGDOE-LBPRGKRZSA-N 0 0 257.761 2.859 20 10 CFCDRN CC(C)(C)OC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000279332097 278461453 /nfs/dbraw/zinc/46/14/53/278461453.db2.gz QITFJKOZHQPEOO-UHFFFAOYSA-N 0 0 293.363 2.518 20 10 CFCDRN CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000286916775 288050134 /nfs/dbraw/zinc/05/01/34/288050134.db2.gz FKNIPIGACZDTPQ-RIEGTJTDSA-N 0 0 299.798 2.626 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(F)cc1[O-] ZINC000287621453 288057368 /nfs/dbraw/zinc/05/73/68/288057368.db2.gz SZBJGUIJADASCG-FZMZJTMJSA-N 0 0 294.370 2.583 20 10 CFCDRN C[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)c2nccn21 ZINC000295272746 278991995 /nfs/dbraw/zinc/99/19/95/278991995.db2.gz SDGAPRUBTNRZLM-RISCZKNCSA-N 0 0 288.370 2.884 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CO1 ZINC000122578010 288213879 /nfs/dbraw/zinc/21/38/79/288213879.db2.gz YCLISBDPPDTCOM-VXGBXAGGSA-N 0 0 266.360 2.501 20 10 CFCDRN COCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187686848 292675093 /nfs/dbraw/zinc/67/50/93/292675093.db2.gz HLTBUFMZAGTXAO-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN COC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191222755 292758163 /nfs/dbraw/zinc/75/81/63/292758163.db2.gz OAJATYLLLQPTIQ-DTWKUNHWSA-N 0 0 259.296 2.604 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(F)(F)[C@@H](C)C2)c(O)c1O ZINC000292574768 301497170 /nfs/dbraw/zinc/49/71/70/301497170.db2.gz GCBNOOOOKRBWJW-VIFPVBQESA-N 0 0 285.290 2.524 20 10 CFCDRN CN1CCN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000110475378 328130042 /nfs/dbraw/zinc/13/00/42/328130042.db2.gz BPDKWIJVOWERCX-CMDGGOBGSA-N 0 0 279.343 2.578 20 10 CFCDRN CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000152605189 327562917 /nfs/dbraw/zinc/56/29/17/327562917.db2.gz FUPAYXWCAMSRMH-CYBMUJFWSA-N 0 0 278.396 2.526 20 10 CFCDRN Cc1cc(CC(=O)NCc2c(C)c3ccccc3n2C)on1 ZINC000582306541 328956504 /nfs/dbraw/zinc/95/65/04/328956504.db2.gz SXIATQATZKXUHU-UHFFFAOYSA-N 0 0 297.358 2.642 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12C[C@@H]1CCC2 ZINC000421496767 329835726 /nfs/dbraw/zinc/83/57/26/329835726.db2.gz GGGDNEAFADHGDO-SJCJKPOMSA-N 0 0 286.375 2.668 20 10 CFCDRN CC[C@H](C)Oc1nccnc1N(C)Cc1ccccc1O ZINC000527942299 330294000 /nfs/dbraw/zinc/29/40/00/330294000.db2.gz UNNZXRYRZRYCOS-LBPRGKRZSA-N 0 0 287.363 2.996 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491059555 332143840 /nfs/dbraw/zinc/14/38/40/332143840.db2.gz CJBPXUJDRFDJTA-ZZXKWVIFSA-N 0 0 295.298 2.592 20 10 CFCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc(F)cc1 ZINC000491166765 332160324 /nfs/dbraw/zinc/16/03/24/332160324.db2.gz GXPIYBPZISRWIX-WTKPLQERSA-N 0 0 256.280 2.897 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CCCc3c(F)cccc32)cnn1C ZINC000492283611 332390773 /nfs/dbraw/zinc/39/07/73/332390773.db2.gz PMMOIEORGBPJTG-CMDGGOBGSA-N 0 0 299.349 2.860 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc3c(c2)OCO3)cn1 ZINC000492347639 332393666 /nfs/dbraw/zinc/39/36/66/332393666.db2.gz KBSKHBBQCBVTSK-YVMONPNESA-N 0 0 296.326 2.795 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2cc(F)ccc21 ZINC000492413717 332396292 /nfs/dbraw/zinc/39/62/92/332396292.db2.gz HNDVMJWDNBMXLA-DJWKRKHSSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCOc3nc(C)ccc32)cn1 ZINC000492471893 332399057 /nfs/dbraw/zinc/39/90/57/332399057.db2.gz KJYNUNGTCPEXGB-VURMDHGXSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1cnc2c(c1)N(C(=O)/C=C/c1ccc(C)nc1)CCO2 ZINC000492503239 332400576 /nfs/dbraw/zinc/40/05/76/332400576.db2.gz MQEVEDMHOUSWSP-AATRIKPKSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1cnc2c(c1)N(C(=O)/C=C\c1ccc(C)nc1)CCO2 ZINC000492503240 332400579 /nfs/dbraw/zinc/40/05/79/332400579.db2.gz MQEVEDMHOUSWSP-WAYWQWQTSA-N 0 0 295.342 2.532 20 10 CFCDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCc2ccncc21 ZINC000492547365 332402693 /nfs/dbraw/zinc/40/26/93/332402693.db2.gz GTMKRSWDZOKSQH-DUXPYHPUSA-N 0 0 285.734 2.733 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCSc3ncccc32)c1 ZINC000131063558 333897097 /nfs/dbraw/zinc/89/70/97/333897097.db2.gz LNEBKAYJDMIROR-SNAWJCMRSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccccn2)s1 ZINC000134513552 334092875 /nfs/dbraw/zinc/09/28/75/334092875.db2.gz KVSKFVPUBBPJQQ-VOTSOKGWSA-N 0 0 259.334 2.523 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000177511434 335373325 /nfs/dbraw/zinc/37/33/25/335373325.db2.gz PQDNMQJYZAFHCF-ZIAGYGMSSA-N 0 0 286.375 2.524 20 10 CFCDRN CC(=O)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000289727916 519358255 /nfs/dbraw/zinc/35/82/55/519358255.db2.gz SMTPUVAUEDHGQJ-UHFFFAOYSA-N 0 0 280.374 2.558 20 10 CFCDRN CC(C)[N@@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271859349 519674441 /nfs/dbraw/zinc/67/44/41/519674441.db2.gz YJCXLXDPGDDBTO-UHFFFAOYSA-N 0 0 282.815 2.962 20 10 CFCDRN CC1(C)C[NH+](Cc2cccc(F)c2[O-])CC(C)(C)O1 ZINC000226455405 520481829 /nfs/dbraw/zinc/48/18/29/520481829.db2.gz HMSDSYSOERDOAV-UHFFFAOYSA-N 0 0 267.344 2.921 20 10 CFCDRN CCCN(CC)C[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000290916619 521611916 /nfs/dbraw/zinc/61/19/16/521611916.db2.gz NNFOTUJXTRBPLO-GFCCVEGCSA-N 0 0 268.376 2.741 20 10 CFCDRN CN(C)c1ccc(OCCO[C@@H]2CCCCO2)cc1 ZINC000289370710 522238297 /nfs/dbraw/zinc/23/82/97/522238297.db2.gz KADIXOSASALFTK-OAHLLOKOSA-N 0 0 265.353 2.675 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C[C@@H]2C)c1O ZINC000292456017 518277398 /nfs/dbraw/zinc/27/73/98/518277398.db2.gz PXMYWFTZVQANRU-ZANVPECISA-N 0 0 297.782 2.593 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCCO[C@@H](C)C2)c1O ZINC000061919679 518277875 /nfs/dbraw/zinc/27/78/75/518277875.db2.gz UHNQBRRPOAJHMW-JTQLQIEISA-N 0 0 297.782 2.859 20 10 CFCDRN CC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159386 518586898 /nfs/dbraw/zinc/58/68/98/518586898.db2.gz UACAJZBUSSUUGA-UHFFFAOYSA-N 0 0 261.365 2.933 20 10 CFCDRN CC(C)(C)n1nccc1NC(=O)NCc1ccccc1O ZINC000276720439 519174110 /nfs/dbraw/zinc/17/41/10/519174110.db2.gz AMKSHKSUBVQWAW-UHFFFAOYSA-N 0 0 288.351 2.665 20 10 CFCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182538927 519771296 /nfs/dbraw/zinc/77/12/96/519771296.db2.gz BQQXJRKVGKBJTR-LLVKDONJSA-N 0 0 265.353 2.786 20 10 CFCDRN CC(C)Oc1cncc(NCc2ccc(N(C)C)cc2)n1 ZINC000120758482 519785548 /nfs/dbraw/zinc/78/55/48/519785548.db2.gz MIHDDRIDTSUMQP-UHFFFAOYSA-N 0 0 286.379 2.942 20 10 CFCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000276955385 519821677 /nfs/dbraw/zinc/82/16/77/519821677.db2.gz VYVCFRHRVFCRFE-YGRLFVJLSA-N 0 0 296.367 2.747 20 10 CFCDRN CC(C)[C@H]1N(C(=O)c2cccc(O)c2O)CC1(C)C ZINC000293987998 519828243 /nfs/dbraw/zinc/82/82/43/519828243.db2.gz RGQGWRCLMIJMKK-CYBMUJFWSA-N 0 0 263.337 2.604 20 10 CFCDRN CC(C)c1ccoc1C(=O)NCc1ccc(N)cc1 ZINC000297314253 519848942 /nfs/dbraw/zinc/84/89/42/519848942.db2.gz WILKUGOBRBZTBD-UHFFFAOYSA-N 0 0 258.321 2.915 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC1 ZINC000282378873 520546562 /nfs/dbraw/zinc/54/65/62/520546562.db2.gz CSOZLAHFJJZEAX-CQSZACIVSA-N 0 0 277.364 2.557 20 10 CFCDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279977804 520860067 /nfs/dbraw/zinc/86/00/67/520860067.db2.gz DKNWNQGFMTWSDP-NEPJUHHUSA-N 0 0 295.383 2.681 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)OC)cc1 ZINC000278195791 520896364 /nfs/dbraw/zinc/89/63/64/520896364.db2.gz FFSOMXQFFKAOFG-UHFFFAOYSA-N 0 0 292.423 2.964 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)cc1 ZINC000277295741 520904995 /nfs/dbraw/zinc/90/49/95/520904995.db2.gz MQYSHUWYXJFYGR-INIZCTEOSA-N 0 0 292.423 2.979 20 10 CFCDRN CCCC[C@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000291280287 521143182 /nfs/dbraw/zinc/14/31/82/521143182.db2.gz ONMZTBWJGASNFL-JTQLQIEISA-N 0 0 251.326 2.749 20 10 CFCDRN CCN(C[C@@H](O)CC(F)(F)F)c1ccc(OC)cc1 ZINC000276215927 521218601 /nfs/dbraw/zinc/21/86/01/521218601.db2.gz LEMMEZRJNBFSOE-NSHDSACASA-N 0 0 277.286 2.835 20 10 CFCDRN CCC[C@](C)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000279771686 521265408 /nfs/dbraw/zinc/26/54/08/521265408.db2.gz DXOUKIUCPQDDPY-INIZCTEOSA-N 0 0 279.380 2.973 20 10 CFCDRN CCN(Cc1cc(F)ccc1O)CC(F)(F)F ZINC000226562502 521293297 /nfs/dbraw/zinc/29/32/97/521293297.db2.gz VWDGUPDKVDRTSX-UHFFFAOYSA-N 0 0 251.223 2.916 20 10 CFCDRN CCN(Cc1ncnn1CC(C)C)c1ccc(OC)cc1 ZINC000272201390 521461598 /nfs/dbraw/zinc/46/15/98/521461598.db2.gz ANNWUJMNFWBXIC-UHFFFAOYSA-N 0 0 288.395 2.969 20 10 CFCDRN CCOC1CC(CN(C)c2ccc(OC)cc2OC)C1 ZINC000285726431 521646788 /nfs/dbraw/zinc/64/67/88/521646788.db2.gz UBIMYFZKSJWUSJ-UHFFFAOYSA-N 0 0 279.380 2.955 20 10 CFCDRN CCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000070272331 521660978 /nfs/dbraw/zinc/66/09/78/521660978.db2.gz OWNCFSHNGAIQBL-UHFFFAOYSA-N 0 0 290.407 2.672 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)OC ZINC000264511811 521688381 /nfs/dbraw/zinc/68/83/81/521688381.db2.gz NEJXZCGPCJBNDY-ZDUSSCGKSA-N 0 0 294.395 2.739 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278171122 521865000 /nfs/dbraw/zinc/86/50/00/521865000.db2.gz FTTANOIYNJMFIR-UHFFFAOYSA-N 0 0 282.340 2.787 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278136671 521866798 /nfs/dbraw/zinc/86/67/98/521866798.db2.gz AEOPPJPQZDCCHE-UHFFFAOYSA-N 0 0 280.324 2.683 20 10 CFCDRN COc1c([O-])c(C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278136609 521870738 /nfs/dbraw/zinc/87/07/38/521870738.db2.gz ACHZXWDQGLRKOD-UHFFFAOYSA-N 0 0 280.324 2.685 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278284292 521874945 /nfs/dbraw/zinc/87/49/45/521874945.db2.gz UDYROEFNIPYDDO-PHIMTYICSA-N 0 0 292.335 2.541 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000278544284 521875341 /nfs/dbraw/zinc/87/53/41/521875341.db2.gz XWUQQHCOJDZNAQ-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278922714 521882253 /nfs/dbraw/zinc/88/22/53/521882253.db2.gz UZTYGXIQILRVEQ-ONGXEEELSA-N 0 0 280.324 2.587 20 10 CFCDRN COC(=O)c1ccc(N(C)Cc2ccccc2O)nc1C ZINC000302672430 522075180 /nfs/dbraw/zinc/07/51/80/522075180.db2.gz SDOGGVSHKPLVFY-UHFFFAOYSA-N 0 0 286.331 2.519 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C(C)(F)F)C2CC2)cc1 ZINC000292840439 522158934 /nfs/dbraw/zinc/15/89/34/522158934.db2.gz QOGXJPAFSJDIAJ-UHFFFAOYSA-N 0 0 282.334 2.899 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CC2)cc1 ZINC000124037093 522193165 /nfs/dbraw/zinc/19/31/65/522193165.db2.gz PIQXAODOZWCGRM-UHFFFAOYSA-N 0 0 287.407 2.742 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000150820999 522193332 /nfs/dbraw/zinc/19/33/32/522193332.db2.gz JKXQDHDSTADEIB-GASCZTMLSA-N 0 0 287.407 2.694 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCC2(C)C)cc1F ZINC000077522043 522195113 /nfs/dbraw/zinc/19/51/13/522195113.db2.gz HMDGPQQJIMSMFV-UHFFFAOYSA-N 0 0 293.386 2.976 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ocnc2C2CC2)cc1 ZINC000289698092 522205356 /nfs/dbraw/zinc/20/53/56/522205356.db2.gz QVFJGQVAVHQCJO-UHFFFAOYSA-N 0 0 285.347 2.548 20 10 CFCDRN CN(C)c1ccc(CNc2cccnc2-n2cccn2)cc1 ZINC000192831738 522214107 /nfs/dbraw/zinc/21/41/07/522214107.db2.gz GDXMPRLLJZKODQ-UHFFFAOYSA-N 0 0 293.374 2.945 20 10 CFCDRN CN(C)c1ccc(CNc2ncn(C)n2)c(C(F)(F)F)c1 ZINC000292358213 522214709 /nfs/dbraw/zinc/21/47/09/522214709.db2.gz FPWZIDACLJKGHE-UHFFFAOYSA-N 0 0 299.300 2.512 20 10 CFCDRN CN(C)c1ccc(CNc2ncnc(N)c2Cl)cc1F ZINC000302905596 522215976 /nfs/dbraw/zinc/21/59/76/522215976.db2.gz SPKZSOKJOJKJIJ-UHFFFAOYSA-N 0 0 295.749 2.529 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(F)F ZINC000336281645 522251764 /nfs/dbraw/zinc/25/17/64/522251764.db2.gz WHUOSUJDBHAYCP-UHFFFAOYSA-N 0 0 284.306 2.523 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C=CCC1 ZINC000173185221 522251813 /nfs/dbraw/zinc/25/18/13/522251813.db2.gz RVBZQJBFYDBQPB-ZDUSSCGKSA-N 0 0 286.375 2.834 20 10 CFCDRN CC[C@@H](C)[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000277865909 522311559 /nfs/dbraw/zinc/31/15/59/522311559.db2.gz DHUZPYGAAYSPFB-RDDDGLTNSA-N 0 0 291.269 2.805 20 10 CFCDRN COC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000278838022 522471000 /nfs/dbraw/zinc/47/10/00/522471000.db2.gz REYANPJLUUOSRY-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@H]32)c1O ZINC000228630983 522535666 /nfs/dbraw/zinc/53/56/66/522535666.db2.gz AFQCENVBOJPSGX-CHWSQXEVSA-N 0 0 297.782 2.808 20 10 CFCDRN COCC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000293754592 522812709 /nfs/dbraw/zinc/81/27/09/522812709.db2.gz RPNSCLFCLQAFLN-NSHDSACASA-N 0 0 295.379 2.502 20 10 CFCDRN CC[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299379992 522834453 /nfs/dbraw/zinc/83/44/53/522834453.db2.gz WKSZTSYJFGADJW-INIZCTEOSA-N 0 0 290.407 2.669 20 10 CFCDRN CCc1occc1C(=O)N(C)Cc1ccccc1O ZINC000280747941 523011974 /nfs/dbraw/zinc/01/19/74/523011974.db2.gz GXWZJLSUTYLLNS-UHFFFAOYSA-N 0 0 259.305 2.820 20 10 CFCDRN CCn1c(C)cc(C(=O)NCc2ccccc2O)c1C ZINC000263735074 523133735 /nfs/dbraw/zinc/13/37/35/523133735.db2.gz URPATQRSWFBPHD-UHFFFAOYSA-N 0 0 272.348 2.760 20 10 CFCDRN CC[C@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000293048115 523168612 /nfs/dbraw/zinc/16/86/12/523168612.db2.gz QNFVUFAAXLIRQX-HNNXBMFYSA-N 0 0 285.391 2.757 20 10 CFCDRN COCc1nc(CNCc2ccc3c(c2)CCO3)cs1 ZINC000266209796 523202505 /nfs/dbraw/zinc/20/25/05/523202505.db2.gz NSDHKXWMVCEHNW-UHFFFAOYSA-N 0 0 290.388 2.514 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000279711827 523212419 /nfs/dbraw/zinc/21/24/19/523212419.db2.gz AVOJNXYLOUWXTR-CHWSQXEVSA-N 0 0 277.364 2.930 20 10 CFCDRN CC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000079297937 523235693 /nfs/dbraw/zinc/23/56/93/523235693.db2.gz RZYZBSJJANHBLB-CYBMUJFWSA-N 0 0 260.381 2.850 20 10 CFCDRN CO[C@@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000184027217 523377241 /nfs/dbraw/zinc/37/72/41/523377241.db2.gz CYYLKLZTCZNEFE-LBPRGKRZSA-N 0 0 291.391 2.702 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000171230843 523382093 /nfs/dbraw/zinc/38/20/93/523382093.db2.gz WZGHZILVTRCAHB-GZBFAFLISA-N 0 0 288.391 2.970 20 10 CFCDRN CN(Cc1ccccc1O)c1ccc2c(n1)CCCC2=O ZINC000297484012 523389229 /nfs/dbraw/zinc/38/92/29/523389229.db2.gz LZGNBXINFFMVOT-UHFFFAOYSA-N 0 0 282.343 2.943 20 10 CFCDRN CC[C@]1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236927814 523555505 /nfs/dbraw/zinc/55/55/05/523555505.db2.gz RFOPKIHETGDPQY-MRXNPFEDSA-N 0 0 260.381 2.850 20 10 CFCDRN CCc1c(C(=O)N(C)Cc2ccccc2O)ccn1C ZINC000289805394 523680513 /nfs/dbraw/zinc/68/05/13/523680513.db2.gz LHPMLRMEIIKLEX-UHFFFAOYSA-N 0 0 272.348 2.565 20 10 CFCDRN CN1CCCc2cc(CNC(=O)COC(C)(C)C)ccc21 ZINC000182658990 523859888 /nfs/dbraw/zinc/85/98/88/523859888.db2.gz OPZANNCLUSPJBR-UHFFFAOYSA-N 0 0 290.407 2.500 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3CCCC3)ccc21 ZINC000299384206 523860407 /nfs/dbraw/zinc/86/04/07/523860407.db2.gz OQKRMHOKFKBFBS-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000299521619 524138191 /nfs/dbraw/zinc/13/81/91/524138191.db2.gz QDOQHVYZJXGGPH-YPMHNXCESA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000158015706 524231979 /nfs/dbraw/zinc/23/19/79/524231979.db2.gz FZBBWYQIAJNFFH-UHFFFAOYSA-N 0 0 299.370 2.996 20 10 CFCDRN C[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000073917505 524253946 /nfs/dbraw/zinc/25/39/46/524253946.db2.gz LLJLUZVWHYSKON-CYBMUJFWSA-N 0 0 287.407 2.763 20 10 CFCDRN COc1ccccc1C(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000237102766 524365909 /nfs/dbraw/zinc/36/59/09/524365909.db2.gz JAULHGJRMMPAHD-UHFFFAOYSA-N 0 0 298.386 2.871 20 10 CFCDRN Cc1cccc(CN2C[C@H](C)NC(=O)c3ccccc32)c1O ZINC000378127317 524410053 /nfs/dbraw/zinc/41/00/53/524410053.db2.gz KJFIPYYFYIZPFD-ZDUSSCGKSA-N 0 0 296.370 2.839 20 10 CFCDRN C[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192724283 524529657 /nfs/dbraw/zinc/52/96/57/524529657.db2.gz DZCQCLSQEWQJMD-YUMQZZPRSA-N 0 0 278.179 2.978 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276902521 524769414 /nfs/dbraw/zinc/76/94/14/524769414.db2.gz JELGUOOGYRAILO-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000230669703 524769800 /nfs/dbraw/zinc/76/98/00/524769800.db2.gz QOQMAOFXNMDPKD-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H](Cc1cccs1)NC(=O)NCc1ccccc1O ZINC000299478153 524932519 /nfs/dbraw/zinc/93/25/19/524932519.db2.gz GAJMNQPWMYMUMP-NSHDSACASA-N 0 0 290.388 2.884 20 10 CFCDRN Cc1ccccc1CNC(=O)COc1ccc(N(C)C)cc1 ZINC000277949910 525155517 /nfs/dbraw/zinc/15/55/17/525155517.db2.gz VWEWROVTJBALOP-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN C[C@](O)(CC[NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000275226219 525165310 /nfs/dbraw/zinc/16/53/10/525165310.db2.gz HYRSOPUPXCCWGZ-KRWDZBQOSA-N 0 0 289.350 2.919 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000103855446 525355690 /nfs/dbraw/zinc/35/56/90/525355690.db2.gz YWTQPBDCDATSJE-UHFFFAOYSA-N 0 0 298.386 2.943 20 10 CFCDRN CSCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000282748522 525361823 /nfs/dbraw/zinc/36/18/23/525361823.db2.gz NUDBXDBOFNHLBM-JTQLQIEISA-N 0 0 297.420 2.534 20 10 CFCDRN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1[O-] ZINC000097928432 525421269 /nfs/dbraw/zinc/42/12/69/525421269.db2.gz CBQBSEJAUWXCAM-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289840004 525489098 /nfs/dbraw/zinc/48/90/98/525489098.db2.gz PVCUEASEZRHIEW-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000281228598 525596410 /nfs/dbraw/zinc/59/64/10/525596410.db2.gz UOTQNIXMLRZRAB-GWCFXTLKSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192909418 525599310 /nfs/dbraw/zinc/59/93/10/525599310.db2.gz OTHFDRWYCVMLRJ-NKWVEPMBSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274747328 525623670 /nfs/dbraw/zinc/62/36/70/525623670.db2.gz GTHGXZKEWNOELN-YGRLFVJLSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1c(C(=O)NCc2ccccc2O)cnn1C(C)(C)C ZINC000299541125 525629269 /nfs/dbraw/zinc/62/92/69/525629269.db2.gz JGPZBARJUCEVSA-UHFFFAOYSA-N 0 0 287.363 2.582 20 10 CFCDRN Cc1ccnc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000265547960 525696278 /nfs/dbraw/zinc/69/62/78/525696278.db2.gz QAGPYZWKJHVUKW-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@@H](Nc1ncnc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000302349878 525734066 /nfs/dbraw/zinc/73/40/66/525734066.db2.gz CZFIXUQFSOYKMS-SNVBAGLBSA-N 0 0 282.351 2.592 20 10 CFCDRN COc1cccc(CNC(=O)CCC2CCCC2)c1O ZINC000068488672 525966562 /nfs/dbraw/zinc/96/65/62/525966562.db2.gz BLQNRJQRLNANCI-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000276924157 525976824 /nfs/dbraw/zinc/97/68/24/525976824.db2.gz MZZASZKBFVCQAG-BXKDBHETSA-N 0 0 297.301 2.956 20 10 CFCDRN COc1cccc(CNC(=O)c2ccoc2C2CC2)c1O ZINC000282739282 526006559 /nfs/dbraw/zinc/00/65/59/526006559.db2.gz MUYANLOHTFWUAC-UHFFFAOYSA-N 0 0 287.315 2.801 20 10 CFCDRN C[C@H]1CCCC[C@H]1NC(=O)CSc1nccs1 ZINC000047241838 526261593 /nfs/dbraw/zinc/26/15/93/526261593.db2.gz FZPQXZSOTOJXGK-VHSXEESVSA-N 0 0 270.423 2.930 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000224930986 526328515 /nfs/dbraw/zinc/32/85/15/526328515.db2.gz YSCVIHJIDSRPIE-TZMCWYRMSA-N 0 0 267.756 2.703 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366696859 526330114 /nfs/dbraw/zinc/33/01/14/526330114.db2.gz PRFDQRLGKREQEA-BXUZGUMPSA-N 0 0 265.328 2.532 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCCc2n[nH]cc21 ZINC000291499072 526362269 /nfs/dbraw/zinc/36/22/69/526362269.db2.gz HFQJSJHKUQCKMW-UHFFFAOYSA-N 0 0 263.728 2.722 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000228144110 526363814 /nfs/dbraw/zinc/36/38/14/526363814.db2.gz UQGSFIYKHRQAEX-TZMCWYRMSA-N 0 0 267.756 2.799 20 10 CFCDRN Oc1ccccc1CN(Cc1cocn1)C[C@H]1CCCO1 ZINC000191920468 526372617 /nfs/dbraw/zinc/37/26/17/526372617.db2.gz GYIYMZIHJHCOEZ-OAHLLOKOSA-N 0 0 288.347 2.561 20 10 CFCDRN O=C(CCC1CC1)NCc1cccc(Br)c1O ZINC000277646851 526396628 /nfs/dbraw/zinc/39/66/28/526396628.db2.gz YMPKHUZXIHZKFT-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN Cc1cscc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372255612 526462625 /nfs/dbraw/zinc/46/26/25/526462625.db2.gz REFIIFYJWQYTPW-UHFFFAOYSA-N 0 0 286.400 2.979 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC(F)(F)C1 ZINC000281994292 526753763 /nfs/dbraw/zinc/75/37/63/526753763.db2.gz NRPSTITYTWWIDT-SNVBAGLBSA-N 0 0 284.306 2.627 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1(c2ccccc2)CC1 ZINC000299535511 526754450 /nfs/dbraw/zinc/75/44/50/526754450.db2.gz UAOQSGITRPJSRA-UHFFFAOYSA-N 0 0 296.370 2.923 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc([C@@H]2CCOC2)c1 ZINC000270729539 526756165 /nfs/dbraw/zinc/75/61/65/526756165.db2.gz GYVRAOGMFYPHJB-MRXNPFEDSA-N 0 0 297.354 2.826 20 10 CFCDRN Cc1nc(NCc2ccc(N3CCCCC3)cc2)nn1C ZINC000291985343 526999147 /nfs/dbraw/zinc/99/91/47/526999147.db2.gz VRJRHMJWOKVFQJ-UHFFFAOYSA-N 0 0 285.395 2.726 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H]2c2ccccc2F)cc1 ZINC000370774527 527475399 /nfs/dbraw/zinc/47/53/99/527475399.db2.gz RUGCKAQZNGTUPT-MRXNPFEDSA-N 0 0 284.334 2.924 20 10 CFCDRN Nc1ccc(CCNC(=O)CCc2cccs2)cc1 ZINC000179042766 527479571 /nfs/dbraw/zinc/47/95/71/527479571.db2.gz SFNXORCWFBFPHJ-UHFFFAOYSA-N 0 0 274.389 2.622 20 10 CFCDRN Nc1ccc(NC(=O)c2ccc(N3CCCC3)nc2)cc1 ZINC000160354719 527494906 /nfs/dbraw/zinc/49/49/06/527494906.db2.gz CNJAUOHAIYVARF-UHFFFAOYSA-N 0 0 282.347 2.516 20 10 CFCDRN O=C(NC1CCC2(CC2)CC1)c1c(F)ccc(O)c1O ZINC000296776057 527503687 /nfs/dbraw/zinc/50/36/87/527503687.db2.gz PXVRSLVPJNECDZ-UHFFFAOYSA-N 0 0 279.311 2.690 20 10 CFCDRN O=C(NC1CCCCCC1)c1c(F)ccc(O)c1O ZINC000276759515 527518838 /nfs/dbraw/zinc/51/88/38/527518838.db2.gz WYURPQAEQXUCGC-UHFFFAOYSA-N 0 0 267.300 2.690 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000190306779 527564829 /nfs/dbraw/zinc/56/48/29/527564829.db2.gz WBIMPVKPYYOZPG-GXFFZTMASA-N 0 0 269.772 2.686 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000291016073 527608779 /nfs/dbraw/zinc/60/87/79/527608779.db2.gz XJNNZQLUJHFCQH-ZDUSSCGKSA-N 0 0 269.772 2.686 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000364984072 527613806 /nfs/dbraw/zinc/61/38/06/527613806.db2.gz SJTOCPQDUSAAFS-CYUPMTOZSA-N 0 0 287.359 2.902 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000753834873 574050760 /nfs/dbraw/zinc/05/07/60/574050760.db2.gz WEAXBQOJQXZJRV-JTQLQIEISA-N 0 0 295.354 2.733 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1ccc(OC)c(C)c1 ZINC000753568968 574060639 /nfs/dbraw/zinc/06/06/39/574060639.db2.gz NKGOFHOHEMDYCD-OAHLLOKOSA-N 0 0 291.391 2.825 20 10 CFCDRN COc1cccc(CNC(=O)c2c(C)oc(C)c2C)c1O ZINC000727762495 574064380 /nfs/dbraw/zinc/06/43/80/574064380.db2.gz MBIRBDOFYLTUTO-UHFFFAOYSA-N 0 0 289.331 2.849 20 10 CFCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000727839412 574067824 /nfs/dbraw/zinc/06/78/24/574067824.db2.gz AXKZXGVDKWJXJL-CQSZACIVSA-N 0 0 275.396 2.837 20 10 CFCDRN Cc1nc(C)c(COC(=O)C2=CC(=O)CS2)s1 ZINC000745002170 574096085 /nfs/dbraw/zinc/09/60/85/574096085.db2.gz HVUOULVRZDLYOF-UHFFFAOYSA-N 0 0 269.347 2.884 20 10 CFCDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)C2=CC(=O)CS2)[nH]1 ZINC000754425938 574103114 /nfs/dbraw/zinc/10/31/14/574103114.db2.gz NPBYQRUPQSWSBM-YUMQZZPRSA-N 0 0 294.380 2.576 20 10 CFCDRN C[C@H]([NH2+]Cc1ccoc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756447963 574117363 /nfs/dbraw/zinc/11/73/63/574117363.db2.gz ZIMBZFUGJMUZLL-VIFPVBQESA-N 0 0 262.265 2.744 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756733511 574128916 /nfs/dbraw/zinc/12/89/16/574128916.db2.gz QOKCBWZIADTEKB-MWLCHTKSSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1cccc(OCCNC(=O)C2=CC(=O)CS2)c1 ZINC000731864148 574130798 /nfs/dbraw/zinc/13/07/98/574130798.db2.gz LTWWHTMQQRFJCY-UHFFFAOYSA-N 0 0 277.345 2.571 20 10 CFCDRN Cc1ccsc1CNC(=O)C1=CC(=O)CS1 ZINC000731870972 574131319 /nfs/dbraw/zinc/13/13/19/574131319.db2.gz ASTUEIRVNCRBAJ-UHFFFAOYSA-N 0 0 253.348 2.754 20 10 CFCDRN CCOc1nnc(CN(CC)c2ccc(OC)cc2)s1 ZINC000746107501 574133932 /nfs/dbraw/zinc/13/39/32/574133932.db2.gz JKZYZTQLIMEIEH-UHFFFAOYSA-N 0 0 293.392 2.972 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)c1cccnc1 ZINC000746273097 574142749 /nfs/dbraw/zinc/14/27/49/574142749.db2.gz RRBRIEWUPKUPOZ-CQSZACIVSA-N 0 0 297.402 2.876 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)n2)c1 ZINC000728978543 574143306 /nfs/dbraw/zinc/14/33/06/574143306.db2.gz RWJQNDGCDDUDAX-LLVKDONJSA-N 0 0 286.331 2.595 20 10 CFCDRN C[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737486320 574144137 /nfs/dbraw/zinc/14/41/37/574144137.db2.gz HQTMVRZJAUSWFH-UHFFFAOYSA-N 0 0 271.316 2.722 20 10 CFCDRN O=C(N[C@H]1CCCc2occc21)C1=CC(=O)CS1 ZINC000732267479 574147810 /nfs/dbraw/zinc/14/78/10/574147810.db2.gz HAXANZOVRAKFPM-JTQLQIEISA-N 0 0 263.318 2.854 20 10 CFCDRN O=C(NC[C@@H](O)c1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000732268953 574148496 /nfs/dbraw/zinc/14/84/96/574148496.db2.gz UIMAQKBKIWSUQI-LLVKDONJSA-N 0 0 297.763 2.571 20 10 CFCDRN COc1ccc(CNC(=O)C2=CC(=O)CS2)cc1F ZINC000732268719 574148843 /nfs/dbraw/zinc/14/88/43/574148843.db2.gz MVPGXSVAAKKVPU-UHFFFAOYSA-N 0 0 281.308 2.531 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C1=CC(=O)CS1)CC2 ZINC000732281061 574149836 /nfs/dbraw/zinc/14/98/36/574149836.db2.gz YPARBMIVLZRACB-UHFFFAOYSA-N 0 0 259.330 2.965 20 10 CFCDRN Cc1csc(CCCCNC(=O)C2=CC(=O)CS2)n1 ZINC000732284511 574150053 /nfs/dbraw/zinc/15/00/53/574150053.db2.gz ULTGDTRQPVNVKL-UHFFFAOYSA-N 0 0 296.417 2.971 20 10 CFCDRN CCCN(C[C@H]1CCCCO1)C(=O)C1=CC(=O)CS1 ZINC000732288575 574150591 /nfs/dbraw/zinc/15/05/91/574150591.db2.gz DJQBYZFPCBGRFQ-GFCCVEGCSA-N 0 0 283.393 2.875 20 10 CFCDRN CCCCC[C@H](C)NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353950 574153161 /nfs/dbraw/zinc/15/31/61/574153161.db2.gz XCPPGINLARIGPV-JTQLQIEISA-N 0 0 299.392 2.696 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3ccccc3)ccc21 ZINC000169814777 574156410 /nfs/dbraw/zinc/15/64/10/574156410.db2.gz RNFDSJNEDZZAPB-UHFFFAOYSA-N 0 0 266.344 2.609 20 10 CFCDRN CO[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732574856 574161523 /nfs/dbraw/zinc/16/15/23/574161523.db2.gz DDUUAKNIRKEAED-GFCCVEGCSA-N 0 0 277.345 2.571 20 10 CFCDRN C[C@H](Cc1ccccc1)C(=O)NCc1ccccc1O ZINC000732578812 574161771 /nfs/dbraw/zinc/16/17/71/574161771.db2.gz SIBIKBSPLZTZBR-CYBMUJFWSA-N 0 0 269.344 2.887 20 10 CFCDRN CC(C)(C)c1cnc(CNC(=O)C2=CC(=O)CS2)o1 ZINC000746693765 574163578 /nfs/dbraw/zinc/16/35/78/574163578.db2.gz KZQACDXRPNJRFA-UHFFFAOYSA-N 0 0 280.349 2.669 20 10 CFCDRN O=C(NCc1ccccc1O)c1coc(-c2ccccc2)n1 ZINC000738513110 574172339 /nfs/dbraw/zinc/17/23/39/574172339.db2.gz HSPYYTZNUCYPKI-UHFFFAOYSA-N 0 0 294.310 2.977 20 10 CFCDRN CC[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000729280185 574195855 /nfs/dbraw/zinc/19/58/55/574195855.db2.gz PAIUCNGALFSTAR-NXEZZACHSA-N 0 0 251.326 2.624 20 10 CFCDRN Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)[nH]n2)o1 ZINC000747519258 574199463 /nfs/dbraw/zinc/19/94/63/574199463.db2.gz VXZYOMYZDUJOBL-UHFFFAOYSA-N 0 0 297.314 2.614 20 10 CFCDRN CC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000748098344 574229482 /nfs/dbraw/zinc/22/94/82/574229482.db2.gz BFGSMFZVTGKNMI-UHFFFAOYSA-N 0 0 270.716 2.844 20 10 CFCDRN CCN1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756364335 574229791 /nfs/dbraw/zinc/22/97/91/574229791.db2.gz TXPDFDLMMOJRIK-SNVBAGLBSA-N 0 0 284.350 2.805 20 10 CFCDRN CCOc1ccc(COC(=O)C2=CC(=O)CS2)nc1 ZINC000756411087 574235086 /nfs/dbraw/zinc/23/50/86/574235086.db2.gz PJXFIAUVNKJQRK-UHFFFAOYSA-N 0 0 279.317 2.604 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000756455072 574238758 /nfs/dbraw/zinc/23/87/58/574238758.db2.gz IOECCIQQQVDIKD-GXSJLCMTSA-N 0 0 271.307 2.890 20 10 CFCDRN COCCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756498796 574241767 /nfs/dbraw/zinc/24/17/67/574241767.db2.gz XGERXENXIREVOB-GFCCVEGCSA-N 0 0 295.379 2.646 20 10 CFCDRN C[C@H]([NH2+]CC1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756511211 574242856 /nfs/dbraw/zinc/24/28/56/574242856.db2.gz MICOGJZAWLWRSF-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756524527 574243614 /nfs/dbraw/zinc/24/36/14/574243614.db2.gz KCCGVKXHLLJIEY-GFCCVEGCSA-N 0 0 295.383 2.681 20 10 CFCDRN CCOc1ccc(N(C)Cc2nccc(C)n2)cc1 ZINC000756524729 574243709 /nfs/dbraw/zinc/24/37/09/574243709.db2.gz MMLLKXWYLPUVJF-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756525940 574243726 /nfs/dbraw/zinc/24/37/26/574243726.db2.gz DMDHUWXWCFLFDL-JTQLQIEISA-N 0 0 295.333 2.687 20 10 CFCDRN CC(C)Cc1nc(C(=O)NCc2ccccc2O)cs1 ZINC000748347100 574247758 /nfs/dbraw/zinc/24/77/58/574247758.db2.gz VIRAFWIBBOMDDI-UHFFFAOYSA-N 0 0 290.388 2.977 20 10 CFCDRN C[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1O ZINC000748347185 574247796 /nfs/dbraw/zinc/24/77/96/574247796.db2.gz YTCVEGHJWBMTDU-LLVKDONJSA-N 0 0 289.306 2.615 20 10 CFCDRN C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(F)cc1[O-] ZINC000756558333 574247827 /nfs/dbraw/zinc/24/78/27/574247827.db2.gz ZKVRLLLZSSEHAA-LBPRGKRZSA-N 0 0 294.370 2.585 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)n1cnc2ccccc21 ZINC000748345304 574247868 /nfs/dbraw/zinc/24/78/68/574247868.db2.gz DSVNHAYUZCTJTQ-LBPRGKRZSA-N 0 0 295.342 2.619 20 10 CFCDRN COc1cc(CC(=O)NCc2ccccc2O)ccc1C ZINC000748349279 574248159 /nfs/dbraw/zinc/24/81/59/574248159.db2.gz DZHQGJYAOQOHNK-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN O=C(CCc1nc2ccccc2o1)NCc1ccccc1O ZINC000748353869 574248880 /nfs/dbraw/zinc/24/88/80/574248880.db2.gz QEPKNAKSTCJFOT-UHFFFAOYSA-N 0 0 296.326 2.782 20 10 CFCDRN Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2O)c1 ZINC000748354284 574248987 /nfs/dbraw/zinc/24/89/87/574248987.db2.gz IVBFLNXXSHEPCC-ZDUSSCGKSA-N 0 0 285.343 2.784 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756597019 574251044 /nfs/dbraw/zinc/25/10/44/574251044.db2.gz IZHASJMOQBSENL-FZMZJTMJSA-N 0 0 295.379 2.500 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756611531 574251502 /nfs/dbraw/zinc/25/15/02/574251502.db2.gz WDEHKVNLBWJBDT-RNCFNFMXSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756611911 574251725 /nfs/dbraw/zinc/25/17/25/574251725.db2.gz KFQWBZZOSWJGJB-JBLDHEPKSA-N 0 0 284.350 2.804 20 10 CFCDRN O=C([O-])N1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000740515201 574252989 /nfs/dbraw/zinc/25/29/89/574252989.db2.gz FISKSQSIHZHWDF-SNVBAGLBSA-N 0 0 298.770 2.668 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1Cc2ccccc21 ZINC000748461390 574254068 /nfs/dbraw/zinc/25/40/68/574254068.db2.gz XBPUCVLYAUJJKJ-AWEZNQCLSA-N 0 0 282.343 2.531 20 10 CFCDRN C[C@@H](NCc1ccon1)c1cc(Br)ccc1O ZINC000756636531 574254139 /nfs/dbraw/zinc/25/41/39/574254139.db2.gz KETOGVFHLOKCEJ-MRVPVSSYSA-N 0 0 297.152 2.994 20 10 CFCDRN Cc1noc(-c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000733739454 574254760 /nfs/dbraw/zinc/25/47/60/574254760.db2.gz JKZAUROBJBOUSL-UHFFFAOYSA-N 0 0 254.293 2.848 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000756650657 574255664 /nfs/dbraw/zinc/25/56/64/574255664.db2.gz OAZFUKMRZHRHBN-PWSUYJOCSA-N 0 0 295.404 2.725 20 10 CFCDRN CC(C)CCOCCN(C)c1ccc2c(c1)OCO2 ZINC000756653458 574255893 /nfs/dbraw/zinc/25/58/93/574255893.db2.gz JYGQTCUVIZRLAU-UHFFFAOYSA-N 0 0 265.353 2.914 20 10 CFCDRN Cc1cccc(NCC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000756748017 574260778 /nfs/dbraw/zinc/26/07/78/574260778.db2.gz UVAZXRXIOYKBRO-GFCCVEGCSA-N 0 0 289.354 2.997 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756769832 574261788 /nfs/dbraw/zinc/26/17/88/574261788.db2.gz QYIGRVWMXMBECZ-SDBXPKJASA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756782466 574262374 /nfs/dbraw/zinc/26/23/74/574262374.db2.gz BMYGWGTZUJBANC-KGFZYKRKSA-N 0 0 299.239 2.634 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1F ZINC000740705913 574263554 /nfs/dbraw/zinc/26/35/54/574263554.db2.gz PQUDWVNVPMYVMJ-UHFFFAOYSA-N 0 0 295.335 2.949 20 10 CFCDRN COCC1([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756851324 574268931 /nfs/dbraw/zinc/26/89/31/574268931.db2.gz SSFGAAOHUPIFIC-MRVPVSSYSA-N 0 0 257.280 2.500 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2=COCC2)cc1 ZINC000734121248 574275405 /nfs/dbraw/zinc/27/54/05/574275405.db2.gz GVJWWTGMSBYZNN-UHFFFAOYSA-N 0 0 288.391 2.795 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCC1 ZINC000734521442 574291421 /nfs/dbraw/zinc/29/14/21/574291421.db2.gz QYHWBMLYMHFACM-UHFFFAOYSA-N 0 0 275.396 2.660 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCCOc2ccccc21 ZINC000749369497 574291840 /nfs/dbraw/zinc/29/18/40/574291840.db2.gz XMIQFFNPYGGASN-CMDGGOBGSA-N 0 0 280.327 2.911 20 10 CFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000734547218 574293100 /nfs/dbraw/zinc/29/31/00/574293100.db2.gz LBLFKOMHEDKWNF-ZDUSSCGKSA-N 0 0 284.359 2.939 20 10 CFCDRN C[C@@H](CNC(=O)NCc1ccccc1O)C(C)(C)C ZINC000734663250 574297362 /nfs/dbraw/zinc/29/73/62/574297362.db2.gz KPMWIYBSSIPJLT-NSHDSACASA-N 0 0 264.369 2.874 20 10 CFCDRN CO[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000749482744 574297566 /nfs/dbraw/zinc/29/75/66/574297566.db2.gz FIIFIZSEOYBGGD-AWEZNQCLSA-N 0 0 292.423 2.915 20 10 CFCDRN FC(F)(F)Cc1noc(CSc2nccs2)n1 ZINC000741853546 574306461 /nfs/dbraw/zinc/30/64/61/574306461.db2.gz YMDKGWKXFWRVIO-UHFFFAOYSA-N 0 0 281.284 2.923 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000735330303 574320861 /nfs/dbraw/zinc/32/08/61/574320861.db2.gz HVRTUVXSEMEZAV-PSASIEDQSA-N 0 0 271.407 2.858 20 10 CFCDRN CN(C)c1ccc(CN(c2cccnn2)C2CC2)cc1 ZINC000742395374 574327663 /nfs/dbraw/zinc/32/76/63/574327663.db2.gz SXINSHLSMGCNKK-UHFFFAOYSA-N 0 0 268.364 2.712 20 10 CFCDRN C[C@@H](CNC(=O)C1=CC(=O)CS1)Oc1ccc(F)cc1 ZINC000743720854 574371263 /nfs/dbraw/zinc/37/12/63/574371263.db2.gz CNCNAMOPFHWTDG-VIFPVBQESA-N 0 0 295.335 2.790 20 10 CFCDRN C/C=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299460 574373608 /nfs/dbraw/zinc/37/36/08/574373608.db2.gz LYFJPSPQPBFFDY-FARCUNLSSA-N 0 0 278.315 2.911 20 10 CFCDRN CC(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751305639 574374023 /nfs/dbraw/zinc/37/40/23/574374023.db2.gz IKPYJNMBNKSMSA-UHFFFAOYSA-N 0 0 280.331 2.991 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)CCC(C)C)c(O)c1O ZINC000751533607 574378624 /nfs/dbraw/zinc/37/86/24/574378624.db2.gz QOFNPFIOQYHMEO-LLVKDONJSA-N 0 0 265.353 2.961 20 10 CFCDRN CCc1ccc(CNC(=O)c2ccc(C)c(O)c2O)s1 ZINC000751533724 574378695 /nfs/dbraw/zinc/37/86/95/574378695.db2.gz QHKMKNRQLVUFFE-UHFFFAOYSA-N 0 0 291.372 2.960 20 10 CFCDRN O=C(OCc1nc(C2CCCC2)no1)C1=CC(=O)CS1 ZINC000751715305 574381382 /nfs/dbraw/zinc/38/13/82/574381382.db2.gz OKGYZIUHYFCOBP-UHFFFAOYSA-N 0 0 294.332 2.851 20 10 CFCDRN Fc1ccccc1NC(=S)NCc1ncccc1F ZINC000752766223 574394975 /nfs/dbraw/zinc/39/49/75/574394975.db2.gz GOWFCVJTESVIKS-UHFFFAOYSA-N 0 0 279.315 2.846 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCCS1 ZINC000752793526 574395337 /nfs/dbraw/zinc/39/53/37/574395337.db2.gz SLNPYTRCSDCJRX-HWPRWLFBSA-N 0 0 293.388 2.513 20 10 CFCDRN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128816545 598151133 /nfs/dbraw/zinc/15/11/33/598151133.db2.gz RESTXYDRPSBQGF-JTQLQIEISA-N 0 0 283.755 2.732 20 10 CFCDRN O=C([O-])c1cc[nH+]c(NCCCSc2nccs2)c1 ZINC000821552721 598220205 /nfs/dbraw/zinc/22/02/05/598220205.db2.gz FMDXFDGAKHNQNY-UHFFFAOYSA-N 0 0 295.389 2.831 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+][C@](C)(CC)CC(=O)[O-])c1 ZINC000830084718 601432896 /nfs/dbraw/zinc/43/28/96/601432896.db2.gz KVIKJWFMLYOXQW-OAHLLOKOSA-N 0 0 281.352 2.524 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2CCCC2(F)F)c(O)c1 ZINC000935771627 649941634 /nfs/dbraw/zinc/94/16/34/649941634.db2.gz WRDZYHHTFIVCNK-NSHDSACASA-N 0 0 299.317 2.843 20 10 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/nfs/dbraw/zinc/48/56/73/619485673.db2.gz NDPHEVWXOHAYJG-NSHDSACASA-N 0 0 291.297 2.767 20 10 CFCDRN Nc1ccc(NC(=O)N2CCOC[C@H]2CC2CCC2)cc1 ZINC000841299790 619544881 /nfs/dbraw/zinc/54/48/81/619544881.db2.gz OBDZMNFLMRBPQB-OAHLLOKOSA-N 0 0 289.379 2.692 20 10 CFCDRN CC1([NH+]2CCC2)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000895672784 619583197 /nfs/dbraw/zinc/58/31/97/619583197.db2.gz YIICUCDPPXOWIF-UHFFFAOYSA-N 0 0 296.361 2.731 20 10 CFCDRN Cc1cc(O)c(CNc2n[nH]c3c2COCC3)cc1Cl ZINC000895741790 619594178 /nfs/dbraw/zinc/59/41/78/619594178.db2.gz PQYNZMJIFMHULC-UHFFFAOYSA-N 0 0 293.754 2.762 20 10 CFCDRN Oc1cccc2c1CN(Cc1cnn(C3CCC3)c1)C2 ZINC000895785800 619606707 /nfs/dbraw/zinc/60/67/07/619606707.db2.gz UQAYNUWDUISYCV-UHFFFAOYSA-N 0 0 269.348 2.830 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844715 619618187 /nfs/dbraw/zinc/61/81/87/619618187.db2.gz OGWMYMMJSAINHV-HZMBPMFUSA-N 0 0 283.318 2.671 20 10 CFCDRN CC(C)(C)c1nnc(NCc2c(O)cccc2F)o1 ZINC000895833182 619619500 /nfs/dbraw/zinc/61/95/00/619619500.db2.gz VORLJISWSVMSNC-UHFFFAOYSA-N 0 0 265.288 2.824 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NOCC1CCC1 ZINC000895896965 619631712 /nfs/dbraw/zinc/63/17/12/619631712.db2.gz JZJWSDGCGHKBBW-UHFFFAOYSA-N 0 0 284.743 2.577 20 10 CFCDRN CCC(F)(F)CNC(=O)NCc1cccc(Cl)c1O ZINC000895988582 619649369 /nfs/dbraw/zinc/64/93/69/619649369.db2.gz DLPCYGQCOWRLMU-UHFFFAOYSA-N 0 0 292.713 2.890 20 10 CFCDRN CSC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896455443 619736638 /nfs/dbraw/zinc/73/66/38/619736638.db2.gz POTYBGWLRXHJBA-ZETCQYMHSA-N 0 0 297.401 2.794 20 10 CFCDRN Cc1ncc([C@@H](C)[NH2+]Cc2c([O-])cccc2F)c(C)n1 ZINC000896640328 619781698 /nfs/dbraw/zinc/78/16/98/619781698.db2.gz HDNWJKPVKUXUMF-SECBINFHSA-N 0 0 275.327 2.789 20 10 CFCDRN COc1cc(C[NH2+]Cc2c([O-])cccc2F)cc(OC)c1 ZINC000896641825 619782151 /nfs/dbraw/zinc/78/21/51/619782151.db2.gz SKPIZRIIQOBIFW-UHFFFAOYSA-N 0 0 291.322 2.838 20 10 CFCDRN Cc1nc(CNCc2c(O)cccc2F)sc1C ZINC000896641776 619782157 /nfs/dbraw/zinc/78/21/57/619782157.db2.gz VQFQKVOKZKDLAD-UHFFFAOYSA-N 0 0 266.341 2.894 20 10 CFCDRN COc1cccc(CNC(=O)NCC(C)(C)C2CC2)c1O ZINC000896988152 619911175 /nfs/dbraw/zinc/91/11/75/619911175.db2.gz YNYSWMGGEZVTJW-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(O)c2)c1 ZINC000182836859 625386677 /nfs/dbraw/zinc/38/66/77/625386677.db2.gz WMMGMFXSEHQNRO-SNVBAGLBSA-N 0 0 287.315 2.597 20 10 CFCDRN CCC/C(C)=C/C(=O)NCc1c(O)cccc1F ZINC000928711526 619996909 /nfs/dbraw/zinc/99/69/09/619996909.db2.gz IHHGXIWZTXLSQB-CSKARUKUSA-N 0 0 251.301 2.894 20 10 CFCDRN Cc1nc(C)c(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000788021371 620031443 /nfs/dbraw/zinc/03/14/43/620031443.db2.gz OLKXIKHSMUKPQA-UHFFFAOYSA-N 0 0 260.293 2.657 20 10 CFCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000840997656 620116471 /nfs/dbraw/zinc/11/64/71/620116471.db2.gz XIMCZOXNTUCOLT-KJPDOMRESA-N 0 0 288.391 2.705 20 10 CFCDRN CC1(C)C[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740914875 620183226 /nfs/dbraw/zinc/18/32/26/620183226.db2.gz GWYRVNZLNSZHSP-OAHLLOKOSA-N 0 0 299.418 2.908 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC000785765070 620234267 /nfs/dbraw/zinc/23/42/67/620234267.db2.gz YQFUWJWSHZXGOJ-STQMWFEESA-N 0 0 279.380 2.955 20 10 CFCDRN Cc1n[nH]c2cc(NC(=O)c3ccc(C)c(O)c3O)ccc12 ZINC000182973861 625407071 /nfs/dbraw/zinc/40/70/71/625407071.db2.gz AXQFNMUMIRXQIS-UHFFFAOYSA-N 0 0 297.314 2.843 20 10 CFCDRN O=C(NC1CC(F)(F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897569712 620249316 /nfs/dbraw/zinc/24/93/16/620249316.db2.gz JUYSPWYUPRUZSV-UHFFFAOYSA-N 0 0 299.298 2.840 20 10 CFCDRN Cc1cc(NS(=O)(=O)CCc2ccccc2)ccc1O ZINC000148626873 620250308 /nfs/dbraw/zinc/25/03/08/620250308.db2.gz LWJSUAVHGIZUKW-UHFFFAOYSA-N 0 0 291.372 2.685 20 10 CFCDRN C[C@@H]1C[C@@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897612617 620259230 /nfs/dbraw/zinc/25/92/30/620259230.db2.gz CEFUPBCVHMUJOL-HTQZYQBOSA-N 0 0 277.345 2.935 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897960457 620313159 /nfs/dbraw/zinc/31/31/59/620313159.db2.gz UCSLGBIYXXHRPP-RLCGTCKNSA-N 0 0 253.292 2.949 20 10 CFCDRN C[C@@H](Cc1cccnc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000898311508 620371285 /nfs/dbraw/zinc/37/12/85/620371285.db2.gz WREPUFWYLAXAEA-STQMWFEESA-N 0 0 299.374 2.779 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898381585 620378070 /nfs/dbraw/zinc/37/80/70/620378070.db2.gz JCTJYRJWPJQEPF-JQWIXIFHSA-N 0 0 285.746 2.699 20 10 CFCDRN [NH3+][C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000041027847 620425964 /nfs/dbraw/zinc/42/59/64/620425964.db2.gz NVZXFHBCFSPNNC-JTQLQIEISA-N 0 0 275.179 2.622 20 10 CFCDRN CCCC[C@H](CCC)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841059081 620423278 /nfs/dbraw/zinc/42/32/78/620423278.db2.gz YYDIQHXCERZJPU-ZDUSSCGKSA-N 0 0 291.395 2.682 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927015343 620439715 /nfs/dbraw/zinc/43/97/15/620439715.db2.gz AWZHFJAQSXHYPE-XHDPSFHLSA-N 0 0 294.351 2.910 20 10 CFCDRN Cc1ccc(F)c(C(=O)NCc2ccccc2O)c1F ZINC000161936049 620455139 /nfs/dbraw/zinc/45/51/39/620455139.db2.gz DSEIRPNUMPPHKO-UHFFFAOYSA-N 0 0 277.270 2.909 20 10 CFCDRN Cc1ccc(O)c(CNC(C)(C)C(=O)OC(C)C)c1 ZINC000898505558 620471802 /nfs/dbraw/zinc/47/18/02/620471802.db2.gz BEQZTSSCIKOWAN-UHFFFAOYSA-N 0 0 265.353 2.520 20 10 CFCDRN Cc1ccc(CNC(C)(C)C(=O)OC(C)C)c(O)c1 ZINC000898506010 620472108 /nfs/dbraw/zinc/47/21/08/620472108.db2.gz QSDMEZMHVOUCHB-UHFFFAOYSA-N 0 0 265.353 2.520 20 10 CFCDRN CCOc1ccc(CNC(C)(C)C(=O)OC(C)C)c(O)c1 ZINC000898508175 620472336 /nfs/dbraw/zinc/47/23/36/620472336.db2.gz AHJWTZUONUSQGD-UHFFFAOYSA-N 0 0 295.379 2.611 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]2C[C@@H]2C1 ZINC000898975372 620512388 /nfs/dbraw/zinc/51/23/88/620512388.db2.gz ILMIFOXFMJNKFQ-PSASIEDQSA-N 0 0 289.356 2.795 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000899134133 620523385 /nfs/dbraw/zinc/52/33/85/620523385.db2.gz UUFJGZDJAVQWIH-QXMXGUDHSA-N 0 0 291.416 2.991 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(F)CC1 ZINC000899206929 620531458 /nfs/dbraw/zinc/53/14/58/620531458.db2.gz VNKODWZRNFANOF-UHFFFAOYSA-N 0 0 295.335 2.887 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnc(F)cc2C)SC1=S ZINC000899333681 620544959 /nfs/dbraw/zinc/54/49/59/620544959.db2.gz RMMSVGFCPKCEHG-WEVVVXLNSA-N 0 0 282.365 2.750 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccc(OC)o2)SC1=S ZINC000899340566 620546371 /nfs/dbraw/zinc/54/63/71/620546371.db2.gz FQVFZCSHAISDTI-SOFGYWHQSA-N 0 0 269.347 2.509 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccnn2C2CCC2)SC1=S ZINC000899332027 620546566 /nfs/dbraw/zinc/54/65/66/620546566.db2.gz CNAVIJQWCUMTBR-FLIBITNWSA-N 0 0 293.417 2.829 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C3CC3)CCC2)cc1 ZINC000899822643 620603048 /nfs/dbraw/zinc/60/30/48/620603048.db2.gz LIUFWGJCQHGXSX-UHFFFAOYSA-N 0 0 286.335 2.912 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2cccs2)cc1 ZINC000183228680 625448079 /nfs/dbraw/zinc/44/80/79/625448079.db2.gz MNRMTWAPGNRRSK-UHFFFAOYSA-N 0 0 291.372 2.936 20 10 CFCDRN CCc1cc(NCc2cc(F)cc(F)c2O)nc(C)n1 ZINC000902228950 621002693 /nfs/dbraw/zinc/00/26/93/621002693.db2.gz MHQQRKGBULYKHA-UHFFFAOYSA-N 0 0 279.290 2.943 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(F)cc1[O-] ZINC000903302304 621316968 /nfs/dbraw/zinc/31/69/68/621316968.db2.gz YTWZXQDLUGGTKO-DDTOSNHZSA-N 0 0 266.360 2.665 20 10 CFCDRN CC[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)cc1[O-] ZINC000903352940 621344324 /nfs/dbraw/zinc/34/43/24/621344324.db2.gz XDIYVIHFKZGYAD-ZDUSSCGKSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(F)cc1[O-] ZINC000903393461 621352363 /nfs/dbraw/zinc/35/23/63/621352363.db2.gz NNPPPJVLVJAOPY-ICCXJUOJSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903405179 621360641 /nfs/dbraw/zinc/36/06/41/621360641.db2.gz BILOLBCUPBUXFR-TVQRCGJNSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1c([O-])cccc1F ZINC000903441673 621371280 /nfs/dbraw/zinc/37/12/80/621371280.db2.gz CHJIFCBIDFHVMP-LGFNAOKASA-N 0 0 287.334 2.840 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000903452356 621387469 /nfs/dbraw/zinc/38/74/69/621387469.db2.gz MHVZBIPCIJAMIB-UTUOFQBUSA-N 0 0 295.354 2.914 20 10 CFCDRN CC[C@@H]1OCC[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000904503094 621602691 /nfs/dbraw/zinc/60/26/91/621602691.db2.gz FZNVXETVZLFDQQ-OLZOCXBDSA-N 0 0 273.336 2.525 20 10 CFCDRN CC1(c2nc(Cc3ccc(N)cc3)no2)CC=CC1 ZINC000904503781 621603047 /nfs/dbraw/zinc/60/30/47/621603047.db2.gz KEQPZLGNLSAJDB-UHFFFAOYSA-N 0 0 255.321 2.850 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cn(C)cn1)c1ccccn1 ZINC000906090187 621927140 /nfs/dbraw/zinc/92/71/40/621927140.db2.gz WVXOYNSXNUUWMJ-CMDGGOBGSA-N 0 0 284.363 2.662 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cn(C)cn1)c1cccnc1 ZINC000906073710 621928974 /nfs/dbraw/zinc/92/89/74/621928974.db2.gz FEKYGWNRZWWGQU-BQYQJAHWSA-N 0 0 284.363 2.662 20 10 CFCDRN CC1(C)COCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907990679 622183972 /nfs/dbraw/zinc/18/39/72/622183972.db2.gz GKSDAWBXMNDZLU-UHFFFAOYSA-N 0 0 293.344 2.521 20 10 CFCDRN CN1CCN(C(=O)C2=CC(=O)CS2)CC12CCCCC2 ZINC000908571956 622247279 /nfs/dbraw/zinc/24/72/79/622247279.db2.gz OVMPMLYEGMPMKN-UHFFFAOYSA-N 0 0 294.420 2.544 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2S1 ZINC000155603531 622306121 /nfs/dbraw/zinc/30/61/21/622306121.db2.gz PLVDZLIOZBOJIG-GUOLPTJISA-N 0 0 299.399 2.961 20 10 CFCDRN C[C@H]1CC(C(=O)NCc2ccc(O)cc2O)C[C@H](C)C1 ZINC000910949982 622488848 /nfs/dbraw/zinc/48/88/48/622488848.db2.gz RKQALCLZPMOBJA-GHMZBOCLSA-N 0 0 277.364 2.786 20 10 CFCDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944158 622491283 /nfs/dbraw/zinc/49/12/83/622491283.db2.gz LRZGZRQSCQTSOK-ZWNOBZJWSA-N 0 0 263.337 2.540 20 10 CFCDRN CCCc1occc1C(=O)NCc1ccc(O)cc1O ZINC000910945467 622491836 /nfs/dbraw/zinc/49/18/36/622491836.db2.gz AFCMQVGPJMVPBP-UHFFFAOYSA-N 0 0 275.304 2.573 20 10 CFCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944905 622491889 /nfs/dbraw/zinc/49/18/89/622491889.db2.gz POJKIPYKWIERPC-RISCZKNCSA-N 0 0 277.364 2.930 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910946392 622492004 /nfs/dbraw/zinc/49/20/04/622492004.db2.gz NVELQUIYBVHYMA-BXUZGUMPSA-N 0 0 277.364 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)CC ZINC000819761623 622547463 /nfs/dbraw/zinc/54/74/63/622547463.db2.gz XBPRNFBOYCMYDX-NSHDSACASA-N 0 0 270.369 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncccc1C ZINC000819761525 622550620 /nfs/dbraw/zinc/55/06/20/622550620.db2.gz TVAGKBJHFRYEDY-UHFFFAOYSA-N 0 0 291.347 2.511 20 10 CFCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCC1 ZINC000820135601 622616189 /nfs/dbraw/zinc/61/61/89/622616189.db2.gz OTALYGKCVPBARG-UHFFFAOYSA-N 0 0 274.324 2.864 20 10 CFCDRN CC[C@H](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000820873704 622779220 /nfs/dbraw/zinc/77/92/20/622779220.db2.gz UKSXJUVMJVTNPW-LBPRGKRZSA-N 0 0 264.369 2.970 20 10 CFCDRN O=C(Cc1csc(C2CC2)n1)NCc1ccccc1O ZINC000821061344 622836119 /nfs/dbraw/zinc/83/61/19/622836119.db2.gz UUQAMCNDPXOXAA-UHFFFAOYSA-N 0 0 288.372 2.585 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cscn1 ZINC000821102746 622847396 /nfs/dbraw/zinc/84/73/96/622847396.db2.gz IYDPRBCLCWXRLK-SNVBAGLBSA-N 0 0 291.376 2.751 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224572247 623007501 /nfs/dbraw/zinc/00/75/01/623007501.db2.gz IENUYPCIOLSEIA-NSHDSACASA-N 0 0 257.761 2.542 20 10 CFCDRN C[C@]1([NH2+]Cc2cccc(Cl)c2[O-])CCCOC1 ZINC000225931855 623052203 /nfs/dbraw/zinc/05/22/03/623052203.db2.gz FBFPTMLYFMRIFR-ZDUSSCGKSA-N 0 0 255.745 2.704 20 10 CFCDRN COCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000046463722 623080208 /nfs/dbraw/zinc/08/02/08/623080208.db2.gz JMNUZKLAABJSKR-UHFFFAOYSA-N 0 0 286.375 2.779 20 10 CFCDRN CC(C)=CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822374785 623090516 /nfs/dbraw/zinc/09/05/16/623090516.db2.gz FYYJQWPPFOMYJQ-UHFFFAOYSA-N 0 0 274.324 2.935 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C(C)(C)C)ccc21 ZINC000060214913 623121081 /nfs/dbraw/zinc/12/10/81/623121081.db2.gz GZHXDOGTKXIWJG-UHFFFAOYSA-N 0 0 260.381 2.731 20 10 CFCDRN c1csc(Sc2nnnn2C2CCCCC2)n1 ZINC000060220785 623121898 /nfs/dbraw/zinc/12/18/98/623121898.db2.gz SKPMJALDNNHPAE-UHFFFAOYSA-N 0 0 267.383 2.786 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H](OC)C1CC1 ZINC000822575031 623129061 /nfs/dbraw/zinc/12/90/61/623129061.db2.gz JPIHWPNGOFCCQI-INIZCTEOSA-N 0 0 261.365 2.873 20 10 CFCDRN Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000060476647 623132382 /nfs/dbraw/zinc/13/23/82/623132382.db2.gz KOJMMRBHWUEBGN-UHFFFAOYSA-N 0 0 298.386 2.609 20 10 CFCDRN Cc1ncccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000171418613 623222606 /nfs/dbraw/zinc/22/26/06/623222606.db2.gz WFRMUFDHWOUEQC-RAXLEYEMSA-N 0 0 287.388 2.846 20 10 CFCDRN COc1cccc(CNc2cnn(C(C)C)c2)c1O ZINC000061682621 623228144 /nfs/dbraw/zinc/22/81/44/623228144.db2.gz UXBLSDUDSAUAMM-UHFFFAOYSA-N 0 0 261.325 2.790 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CC(F)(F)C2)cc1 ZINC000823089978 623232915 /nfs/dbraw/zinc/23/29/15/623232915.db2.gz DUKRNLIRLYELSF-UHFFFAOYSA-N 0 0 296.277 2.624 20 10 CFCDRN Cc1cc(CNC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000062105763 623248046 /nfs/dbraw/zinc/24/80/46/623248046.db2.gz VMVCNGCOVRSCMO-UHFFFAOYSA-N 0 0 271.364 2.865 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCc3ccccc3C2)cc1 ZINC000062944162 623307861 /nfs/dbraw/zinc/30/78/61/623307861.db2.gz NIPFJXDSEIJTHF-UHFFFAOYSA-N 0 0 280.371 2.786 20 10 CFCDRN CCn1cc(N(CC(C)C)C(=O)C2=CC(=O)CS2)cn1 ZINC000823426090 623314551 /nfs/dbraw/zinc/31/45/51/623314551.db2.gz MERIOLKDXUWWNS-UHFFFAOYSA-N 0 0 293.392 2.973 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C1CC1 ZINC000840479995 623333426 /nfs/dbraw/zinc/33/34/26/623333426.db2.gz SSOWPTLJKKUHPC-ZDUSSCGKSA-N 0 0 289.423 2.796 20 10 CFCDRN COCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000823753055 623391595 /nfs/dbraw/zinc/39/15/95/623391595.db2.gz QVOHGIPSHVOGFW-UHFFFAOYSA-N 0 0 294.351 2.595 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NOC(C)C ZINC000840483860 623428275 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CCCc1noc(CN(C)c2ccc(OC)c(OC)c2)n1 ZINC000064517722 624945358 /nfs/dbraw/zinc/94/53/58/624945358.db2.gz YKGVAIRNYMGCOG-UHFFFAOYSA-N 0 0 291.351 2.676 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2CCCCC2(F)F)c(O)c1 ZINC000831032988 624954326 /nfs/dbraw/zinc/95/43/26/624954326.db2.gz NUIGVENBNSSKBZ-GFCCVEGCSA-N 0 0 299.317 2.843 20 10 CFCDRN CC(C)[C@@H]1C[N@H+](Cc2ccccc2O)CCS1 ZINC000179584743 624968353 /nfs/dbraw/zinc/96/83/53/624968353.db2.gz WUROSISWTMGORA-AWEZNQCLSA-N 0 0 251.395 2.966 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]c1 ZINC000068308669 624987188 /nfs/dbraw/zinc/98/71/88/624987188.db2.gz XKBGSXRZNOABQI-UHFFFAOYSA-N 0 0 271.364 2.743 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2ccccc21 ZINC000180644431 625031030 /nfs/dbraw/zinc/03/10/30/625031030.db2.gz IVIACWYRQXYOPZ-SOFGYWHQSA-N 0 0 297.310 2.537 20 10 CFCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831471444 625031999 /nfs/dbraw/zinc/03/19/99/625031999.db2.gz XBMJPLYHUQUDKI-HNNXBMFYSA-N 0 0 298.390 2.515 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)o2)c1 ZINC000170901061 625053003 /nfs/dbraw/zinc/05/30/03/625053003.db2.gz XYTYBYBQCIVTAY-JTQLQIEISA-N 0 0 275.304 2.793 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2ccccc2C1 ZINC000181048324 625057568 /nfs/dbraw/zinc/05/75/68/625057568.db2.gz BXNRCKMNFHQZTN-SOFGYWHQSA-N 0 0 281.311 2.653 20 10 CFCDRN COc1ccc(N(CC(OC)OC)CC2CC2)cc1 ZINC000831588089 625061602 /nfs/dbraw/zinc/06/16/02/625061602.db2.gz SHGOJEAVFCUEND-UHFFFAOYSA-N 0 0 265.353 2.531 20 10 CFCDRN CC(C)[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181112827 625067475 /nfs/dbraw/zinc/06/74/75/625067475.db2.gz UNNPYRSOFXUYFJ-ZRQQLDRUSA-N 0 0 263.337 2.519 20 10 CFCDRN COc1cc(O)c(CNc2cccc(C#N)c2)cc1OC ZINC000181342149 625115741 /nfs/dbraw/zinc/11/57/41/625115741.db2.gz TXTNXULPLRNZQN-UHFFFAOYSA-N 0 0 284.315 2.893 20 10 CFCDRN Cc1ccccc1CCNC(=O)c1ccc(C)c(O)c1O ZINC000181779870 625214960 /nfs/dbraw/zinc/21/49/60/625214960.db2.gz OBUBKIKBEINCNQ-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN CCO[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000832140197 625228849 /nfs/dbraw/zinc/22/88/49/625228849.db2.gz LPENRSHAFJVRAZ-QGZVFWFLSA-N 0 0 298.386 2.705 20 10 CFCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000185807890 625780814 /nfs/dbraw/zinc/78/08/14/625780814.db2.gz LPLGFLCPIKRFFX-AAEUAGOBSA-N 0 0 295.404 2.892 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc(Cl)c1[O-] ZINC000834892248 625911417 /nfs/dbraw/zinc/91/14/17/625911417.db2.gz USDGZWXJPYMCCR-MFKMUULPSA-N 0 0 296.798 2.707 20 10 CFCDRN CCc1nc(CN[C@@H](C)c2cc(F)ccc2O)co1 ZINC000834899023 625914318 /nfs/dbraw/zinc/91/43/18/625914318.db2.gz NWKZYHIRARYFOP-VIFPVBQESA-N 0 0 264.300 2.933 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cccc(Cl)c1[O-] ZINC000834901675 625915296 /nfs/dbraw/zinc/91/52/96/625915296.db2.gz XVDLQFFDCIEHKU-BXKDBHETSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000834905902 625918075 /nfs/dbraw/zinc/91/80/75/625918075.db2.gz LZVWGYYILKOGPG-SBMIAAHKSA-N 0 0 255.745 2.610 20 10 CFCDRN CC[C@H]([NH2+]CCc1cnc(C)cn1)c1ccc(F)cc1[O-] ZINC000834909576 625919927 /nfs/dbraw/zinc/91/99/27/625919927.db2.gz SMRKCCBFUCVIRE-HNNXBMFYSA-N 0 0 289.354 2.913 20 10 CFCDRN Cc1cnc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000834908986 625920112 /nfs/dbraw/zinc/92/01/12/625920112.db2.gz NZCVKTPWASOATK-NSHDSACASA-N 0 0 275.327 2.523 20 10 CFCDRN CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc(Cl)c1[O-] ZINC000834910702 625920141 /nfs/dbraw/zinc/92/01/41/625920141.db2.gz YDRFVMWAYNTBJV-DOMZBBRYSA-N 0 0 296.798 2.755 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834915636 625921562 /nfs/dbraw/zinc/92/15/62/625921562.db2.gz RJNOHDHPFVXDOU-JFGNBEQYSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@]1(CCNC(=O)NCCc2ccc(N)cc2)CC1(F)F ZINC000851662615 634474559 /nfs/dbraw/zinc/47/45/59/634474559.db2.gz GBNFHLGZVWCCCO-AWEZNQCLSA-N 0 0 297.349 2.546 20 10 CFCDRN CC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773082766 626100150 /nfs/dbraw/zinc/10/01/50/626100150.db2.gz AJFXHHKAYUFBKF-OLZOCXBDSA-N 0 0 298.452 2.779 20 10 CFCDRN Cc1cc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)ccc1N(C)C ZINC000851708820 634481331 /nfs/dbraw/zinc/48/13/31/634481331.db2.gz ZWYGCMBXOIDUNJ-CYBMUJFWSA-N 0 0 290.407 2.889 20 10 CFCDRN Fc1cccnc1CNCc1ccc2c(c1)CCCO2 ZINC000921923117 626178323 /nfs/dbraw/zinc/17/83/23/626178323.db2.gz XFERROIMARKMEU-UHFFFAOYSA-N 0 0 272.323 2.836 20 10 CFCDRN CC1(CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC000922257642 626253654 /nfs/dbraw/zinc/25/36/54/626253654.db2.gz SHXVOBIHXLYVBB-UHFFFAOYSA-N 0 0 266.316 2.521 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCOC(F)F ZINC000851722515 634489761 /nfs/dbraw/zinc/48/97/61/634489761.db2.gz NLSSJMJBVBJFHN-UHFFFAOYSA-N 0 0 257.280 2.687 20 10 CFCDRN c1cnc([C@H](NCc2ccc3c(c2)CCO3)C2CC2)nc1 ZINC000922579949 626316071 /nfs/dbraw/zinc/31/60/71/626316071.db2.gz NEODDEMDFOHNBU-MRXNPFEDSA-N 0 0 281.359 2.652 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922727977 626351459 /nfs/dbraw/zinc/35/14/59/626351459.db2.gz ITVJKPFTTCUWDL-IMTBSYHQSA-N 0 0 281.224 2.958 20 10 CFCDRN CCOCc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000187063566 626442196 /nfs/dbraw/zinc/44/21/96/626442196.db2.gz DULHVTFOGJOAMX-UHFFFAOYSA-N 0 0 287.315 2.887 20 10 CFCDRN CCSC1(CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000923318874 626465657 /nfs/dbraw/zinc/46/56/57/626465657.db2.gz PUAYSUALAIPLGM-UHFFFAOYSA-N 0 0 298.383 2.616 20 10 CFCDRN C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC=CCC1 ZINC000838317047 626493207 /nfs/dbraw/zinc/49/32/07/626493207.db2.gz RFILLPICBNDIPU-IOBAAEILSA-N 0 0 273.332 2.726 20 10 CFCDRN CCCCN(Cc1cnn(CC)n1)Cc1ccccc1O ZINC000839078155 626523146 /nfs/dbraw/zinc/52/31/46/626523146.db2.gz NZUUILRKZJYQOM-UHFFFAOYSA-N 0 0 288.395 2.806 20 10 CFCDRN COC1(C)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839102143 626524856 /nfs/dbraw/zinc/52/48/56/626524856.db2.gz LXJZSLZDZUZQPH-UHFFFAOYSA-N 0 0 274.408 2.898 20 10 CFCDRN CN(C[C@@H](O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000121359190 626525894 /nfs/dbraw/zinc/52/58/94/626525894.db2.gz MWNFPUQOWXUZMF-CQSZACIVSA-N 0 0 289.306 2.724 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC000839132234 626527988 /nfs/dbraw/zinc/52/79/88/626527988.db2.gz WIXPUOZWIKDSGP-PHIMTYICSA-N 0 0 283.730 2.881 20 10 CFCDRN CC(C)(C)c1nnc(CNCc2c(O)cccc2Cl)[nH]1 ZINC000839170384 626529328 /nfs/dbraw/zinc/52/93/28/626529328.db2.gz LDASFTBHJZZIAH-UHFFFAOYSA-N 0 0 294.786 2.751 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000839192774 626530914 /nfs/dbraw/zinc/53/09/14/626530914.db2.gz WRFFMNHUPQNIHS-AWEZNQCLSA-N 0 0 284.407 2.871 20 10 CFCDRN N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2)S1 ZINC000103465274 626537452 /nfs/dbraw/zinc/53/74/52/626537452.db2.gz RUOHQPOQJOQCFV-JLHYYAGUSA-N 0 0 287.388 2.816 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886532569 626539518 /nfs/dbraw/zinc/53/95/18/626539518.db2.gz LFEDQSVAKBZVSC-JQWIXIFHSA-N 0 0 255.333 2.853 20 10 CFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886617248 626539887 /nfs/dbraw/zinc/53/98/87/626539887.db2.gz IGYHKCNFKJVHLT-QWRGUYRKSA-N 0 0 255.333 2.733 20 10 CFCDRN COCC(C)(C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000839606683 626547901 /nfs/dbraw/zinc/54/79/01/626547901.db2.gz ICOJVITVEMDBQW-UHFFFAOYSA-N 0 0 296.386 2.571 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1cnc(C)nc1)CCC2 ZINC000839656490 626549628 /nfs/dbraw/zinc/54/96/28/626549628.db2.gz NLHRRAFUGIVSEV-UHFFFAOYSA-N 0 0 299.374 2.755 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1 ZINC000757636048 626556963 /nfs/dbraw/zinc/55/69/63/626556963.db2.gz FCDGSNMDNQGBOM-WOPDTQHZSA-N 0 0 294.351 2.766 20 10 CFCDRN CN(C)c1ccc(OCc2cnn(-c3ccccc3)n2)cc1 ZINC000757701766 626559507 /nfs/dbraw/zinc/55/95/07/626559507.db2.gz COKWNFBRMMPCHL-UHFFFAOYSA-N 0 0 294.358 2.912 20 10 CFCDRN CC1CCC(NC(=O)COc2ccc(N(C)C)cc2)CC1 ZINC000757718532 626560538 /nfs/dbraw/zinc/56/05/38/626560538.db2.gz UQMWTPPBOXPJNB-UHFFFAOYSA-N 0 0 290.407 2.826 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000757824557 626564189 /nfs/dbraw/zinc/56/41/89/626564189.db2.gz KALSEAICRJPZNK-CYBMUJFWSA-N 0 0 299.436 2.592 20 10 CFCDRN O=C(N[C@H]1COc2c1cccc2Cl)C1=CC(=O)CS1 ZINC000758348978 626589023 /nfs/dbraw/zinc/58/90/23/626589023.db2.gz ZSPUZFVGCVTKHA-JTQLQIEISA-N 0 0 295.747 2.971 20 10 CFCDRN CC(C)c1ncc(C=C2SC(=S)NC2=O)s1 ZINC000758414230 626592989 /nfs/dbraw/zinc/59/29/89/626592989.db2.gz AOUFVNSKHTUBFB-CLTKARDFSA-N 0 0 270.404 2.755 20 10 CFCDRN O=C(OCc1ccc(CF)cc1)c1cccc(O)c1O ZINC000758559783 626598362 /nfs/dbraw/zinc/59/83/62/626598362.db2.gz GMAXOEIWGFPWQF-UHFFFAOYSA-N 0 0 276.263 2.924 20 10 CFCDRN Cc1cnc(COC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000759588271 626673672 /nfs/dbraw/zinc/67/36/72/626673672.db2.gz KDPFIBDDOCRORX-HWKANZROSA-N 0 0 291.328 2.619 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCC(F)(F)F ZINC000759593890 626674378 /nfs/dbraw/zinc/67/43/78/626674378.db2.gz KCCOBMPUXUFYPT-DUXPYHPUSA-N 0 0 276.210 2.607 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(C3CC3)CC2)c1[O-] ZINC000760711690 626765427 /nfs/dbraw/zinc/76/54/27/626765427.db2.gz YJXFVQXJEAXWGL-UHFFFAOYSA-N 0 0 282.727 2.986 20 10 CFCDRN O=C(N[C@@H](c1cccnc1)C1CC1)C1=CC(=O)CS1 ZINC000760870466 626780086 /nfs/dbraw/zinc/78/00/86/626780086.db2.gz SDMSGJDADXXEHQ-CYBMUJFWSA-N 0 0 274.345 2.730 20 10 CFCDRN C[C@H](CC(C)(C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000839792547 626810779 /nfs/dbraw/zinc/81/07/79/626810779.db2.gz OFAKUXGNMCMCGI-MRVPVSSYSA-N 0 0 269.316 2.791 20 10 CFCDRN C[C@@H](CC(C)(C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000839792548 626810908 /nfs/dbraw/zinc/81/09/08/626810908.db2.gz OFAKUXGNMCMCGI-QMMMGPOBSA-N 0 0 269.316 2.791 20 10 CFCDRN CCCn1cc(CN(C)c2ccc(OC)c(OC)c2)cn1 ZINC000761222780 626817316 /nfs/dbraw/zinc/81/73/16/626817316.db2.gz RNJGWLLGKCAWNJ-UHFFFAOYSA-N 0 0 289.379 2.947 20 10 CFCDRN CCCC1(C(=O)NCc2cccc(OC)c2O)CC1 ZINC000761554736 626845298 /nfs/dbraw/zinc/84/52/98/626845298.db2.gz WWXNCWBMQIQLMM-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN COCCC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000761592436 626848520 /nfs/dbraw/zinc/84/85/20/626848520.db2.gz YMRTUQIVEYWBOK-UHFFFAOYSA-N 0 0 283.393 2.780 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCSC1 ZINC000761928749 626872706 /nfs/dbraw/zinc/87/27/06/626872706.db2.gz PCDKKOOAQACAIJ-CQSZACIVSA-N 0 0 290.432 2.656 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(C)o2)c1 ZINC000761971969 626876062 /nfs/dbraw/zinc/87/60/62/626876062.db2.gz DARNZFPTGZHXFS-NSHDSACASA-N 0 0 289.331 2.722 20 10 CFCDRN CCC(CC)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762264416 626908482 /nfs/dbraw/zinc/90/84/82/626908482.db2.gz XAMXSXOGXQOHKN-UHFFFAOYSA-N 0 0 279.380 2.973 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2ccn(C)c2)C2CC2)cc1 ZINC000763256189 626973028 /nfs/dbraw/zinc/97/30/28/626973028.db2.gz VWUZRHHSRDJOHV-UHFFFAOYSA-N 0 0 297.402 2.896 20 10 CFCDRN C/C=C\C[C@@H](NCc1cc(C)ccc1O)C(=O)OCC ZINC000763361487 626982303 /nfs/dbraw/zinc/98/23/03/626982303.db2.gz LGRGVNZPXVARMZ-KXQLTZBTSA-N 0 0 277.364 2.688 20 10 CFCDRN C/C=C\C[C@@H](NCc1cccc(C)c1O)C(=O)OCC ZINC000763357416 626982438 /nfs/dbraw/zinc/98/24/38/626982438.db2.gz DYWSTRYCFNHGQE-KXQLTZBTSA-N 0 0 277.364 2.688 20 10 CFCDRN C/C=C/C[C@H](NCc1cccc(C)c1O)C(=O)OCC ZINC000763357421 626982590 /nfs/dbraw/zinc/98/25/90/626982590.db2.gz DYWSTRYCFNHGQE-YVZNUBBCSA-N 0 0 277.364 2.688 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000763489039 626991425 /nfs/dbraw/zinc/99/14/25/626991425.db2.gz ZOAQDJWGFZRIJZ-OAHLLOKOSA-N 0 0 287.407 2.694 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC3(CC3)C(=O)O2)cc1Cl ZINC000763700454 627006999 /nfs/dbraw/zinc/00/69/99/627006999.db2.gz SBEVJFAUQJKYNE-LLVKDONJSA-N 0 0 295.766 2.881 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H](O)C(F)(F)F)cc1 ZINC000763839308 627016911 /nfs/dbraw/zinc/01/69/11/627016911.db2.gz DSTYVYADJPEKLT-GFCCVEGCSA-N 0 0 277.286 2.835 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)C(F)(F)F ZINC000763879502 627019202 /nfs/dbraw/zinc/01/92/02/627019202.db2.gz WZIFWEUINRGQJL-CYBMUJFWSA-N 0 0 289.297 2.761 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnc(Cl)c1F ZINC000764072994 627035068 /nfs/dbraw/zinc/03/50/68/627035068.db2.gz YUJNXKFVERSIES-UHFFFAOYSA-N 0 0 280.686 2.510 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)cc1 ZINC000764855665 627102123 /nfs/dbraw/zinc/10/21/23/627102123.db2.gz OFNGBXSHXWJXBU-OAHLLOKOSA-N 0 0 292.423 2.556 20 10 CFCDRN CC(C)(C)c1nnc(Sc2ncc(Cl)s2)n1N ZINC000765050788 627115551 /nfs/dbraw/zinc/11/55/51/627115551.db2.gz VKFHMDFZVBGBJS-UHFFFAOYSA-N 0 0 289.817 2.551 20 10 CFCDRN CCN(Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000851827426 634550170 /nfs/dbraw/zinc/55/01/70/634550170.db2.gz FXTBGRVQXFCJAY-UHFFFAOYSA-N 0 0 291.307 2.926 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000851830569 634550315 /nfs/dbraw/zinc/55/03/15/634550315.db2.gz ZRHVLCPEWYGSNA-YOEHRIQHSA-N 0 0 293.407 2.963 20 10 CFCDRN CC[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000765737272 627155649 /nfs/dbraw/zinc/15/56/49/627155649.db2.gz TVFZBTDPRWQZCE-QMMMGPOBSA-N 0 0 286.169 2.817 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2ccon2)cc1 ZINC000766419008 627201378 /nfs/dbraw/zinc/20/13/78/627201378.db2.gz AVTIPHZMZMGKTE-LBPRGKRZSA-N 0 0 259.353 2.982 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2ccon2)cc1 ZINC000766419006 627201469 /nfs/dbraw/zinc/20/14/69/627201469.db2.gz AVTIPHZMZMGKTE-GFCCVEGCSA-N 0 0 259.353 2.982 20 10 CFCDRN CCOC(CN(CC)c1ccc(OC)cc1)OCC ZINC000767798314 627286139 /nfs/dbraw/zinc/28/61/39/627286139.db2.gz NMRXYZFTGSJZTL-UHFFFAOYSA-N 0 0 267.369 2.921 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000767928752 627295729 /nfs/dbraw/zinc/29/57/29/627295729.db2.gz JDQWLNNOJUFALL-QIMFLAQGSA-N 0 0 276.336 2.969 20 10 CFCDRN COc1ccc(N(C)CC[C@H]2COC(C)(C)O2)c(OC)c1 ZINC000851864562 634562445 /nfs/dbraw/zinc/56/24/45/634562445.db2.gz DQQYCUFPPZTOTC-ZDUSSCGKSA-N 0 0 295.379 2.682 20 10 CFCDRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1=CC(=O)CS1 ZINC000768309622 627332315 /nfs/dbraw/zinc/33/23/15/627332315.db2.gz KIKGEDARIZKNEN-GUTXKFCHSA-N 0 0 285.368 2.769 20 10 CFCDRN COC(=O)[C@@H](NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000768525431 627350519 /nfs/dbraw/zinc/35/05/19/627350519.db2.gz WMGNSILRJAWYHP-GFCCVEGCSA-N 0 0 285.771 2.723 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2c(O)cccc21 ZINC000768664219 627362266 /nfs/dbraw/zinc/36/22/66/627362266.db2.gz NWTDGNCQSTUKGK-DGMVEKRQSA-N 0 0 297.358 2.679 20 10 CFCDRN CC(C)O[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C1(C)C ZINC000768735157 627367076 /nfs/dbraw/zinc/36/70/76/627367076.db2.gz POGJISSYTUCQIC-VXGBXAGGSA-N 0 0 283.393 2.776 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)[C@H](O)C2)cc1 ZINC000768827604 627377414 /nfs/dbraw/zinc/37/74/14/627377414.db2.gz XATFTFKJPXTZLX-YVEFUNNKSA-N 0 0 298.386 2.547 20 10 CFCDRN CC(=O)N1CCc2c1cccc2NCc1ccccc1O ZINC000768945768 627388709 /nfs/dbraw/zinc/38/87/09/627388709.db2.gz JCFTURDOFOQDMN-UHFFFAOYSA-N 0 0 282.343 2.913 20 10 CFCDRN COc1ccc(CN[C@@H](CCO)c2ccco2)cc1C ZINC000768943703 627389005 /nfs/dbraw/zinc/38/90/05/627389005.db2.gz AGPMNHOYWXFWFU-AWEZNQCLSA-N 0 0 275.348 2.810 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC(OC)OC ZINC000851884925 634571391 /nfs/dbraw/zinc/57/13/91/634571391.db2.gz VTBQDSBUACPWGS-UHFFFAOYSA-N 0 0 279.380 2.847 20 10 CFCDRN Cc1ccccc1NCCC(=O)NCc1ccccc1O ZINC000769365727 627428640 /nfs/dbraw/zinc/42/86/40/627428640.db2.gz RPYBDAMGWFGKTM-UHFFFAOYSA-N 0 0 284.359 2.819 20 10 CFCDRN C[N@H+](Cc1cn[nH]c1)Cc1cccc(Br)c1[O-] ZINC000769426148 627437985 /nfs/dbraw/zinc/43/79/85/627437985.db2.gz SSBACLIGHSIMRE-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN C[C@H]1N(Cc2ccc(N(C)C)c(F)c2)CCOC1(C)C ZINC000769451753 627440979 /nfs/dbraw/zinc/44/09/79/627440979.db2.gz NJUUXZSLLILHNF-GFCCVEGCSA-N 0 0 280.387 2.891 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCC2CC2)c1 ZINC000769507366 627449320 /nfs/dbraw/zinc/44/93/20/627449320.db2.gz AEPYBQNOJKKFMQ-LLVKDONJSA-N 0 0 292.379 2.779 20 10 CFCDRN CS/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000769563415 627456178 /nfs/dbraw/zinc/45/61/78/627456178.db2.gz GSEVNPMLHMTYLM-CMDGGOBGSA-N 0 0 277.389 2.764 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(C)c2cccnc2)cc1 ZINC000770470662 627524946 /nfs/dbraw/zinc/52/49/46/627524946.db2.gz WQZYMNXBIQSBPZ-UHFFFAOYSA-N 0 0 297.402 2.742 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)c1cccnc1 ZINC000770553348 627529452 /nfs/dbraw/zinc/52/94/52/627529452.db2.gz WBEDCWYIWBHULI-UHFFFAOYSA-N 0 0 284.359 2.723 20 10 CFCDRN C[C@H](Cc1cccc(O)c1)NC(=O)C1=CC(=O)CS1 ZINC000771048414 627573324 /nfs/dbraw/zinc/57/33/24/627573324.db2.gz HCGXJSDCIWQTCM-SECBINFHSA-N 0 0 277.345 2.520 20 10 CFCDRN O=C(NCCC[C@@H]1CCCC[C@@H]1O)C1=CC(=O)CS1 ZINC000771062757 627574305 /nfs/dbraw/zinc/57/43/05/627574305.db2.gz KDLLFRKEHVWRQI-JQWIXIFHSA-N 0 0 283.393 2.515 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccoc1 ZINC000771894962 627644715 /nfs/dbraw/zinc/64/47/15/627644715.db2.gz STTVXWREAHUWQQ-UHFFFAOYSA-N 0 0 286.375 2.937 20 10 CFCDRN Cc1nnc2c(N[C@@H](C)c3ccc(N(C)C)cc3)nccn12 ZINC000772302020 627699413 /nfs/dbraw/zinc/69/94/13/627699413.db2.gz ZLQJSHSHNDSNFX-NSHDSACASA-N 0 0 296.378 2.672 20 10 CFCDRN CO[C@H](C)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772998301 627766039 /nfs/dbraw/zinc/76/60/39/627766039.db2.gz JCFQVARHJKYMCO-OLZOCXBDSA-N 0 0 278.396 2.745 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)O1 ZINC000772998262 627766094 /nfs/dbraw/zinc/76/60/94/627766094.db2.gz IWUVZWIBBCUMIR-APHBMKBZSA-N 0 0 290.407 2.887 20 10 CFCDRN COCCCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772998154 627766142 /nfs/dbraw/zinc/76/61/42/627766142.db2.gz IRYOKSSUBUXRKP-CYBMUJFWSA-N 0 0 278.396 2.747 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773007744 627767815 /nfs/dbraw/zinc/76/78/15/627767815.db2.gz JAFGLQXOBLLDQF-IPYPFGDCSA-N 0 0 290.407 2.745 20 10 CFCDRN COc1ccnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773019283 627769859 /nfs/dbraw/zinc/76/98/59/627769859.db2.gz KHDWZTOBFARAEC-GFCCVEGCSA-N 0 0 299.374 2.647 20 10 CFCDRN Cc1cnccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017409 627769925 /nfs/dbraw/zinc/76/99/25/627769925.db2.gz UDYPMNUTMVCDKB-ZDUSSCGKSA-N 0 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289.331 2.669 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)=C1CCCC1 ZINC000773762937 627856084 /nfs/dbraw/zinc/85/60/84/627856084.db2.gz LZBIPWBWWQAZPE-JTQLQIEISA-N 0 0 293.338 2.943 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2 ZINC000773766808 627856761 /nfs/dbraw/zinc/85/67/61/627856761.db2.gz PWZFNYFEBKVRJP-ZBFVHZJFSA-N 0 0 289.375 2.725 20 10 CFCDRN CC(C)CNC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774254362 627908590 /nfs/dbraw/zinc/90/85/90/627908590.db2.gz HLPXUOWFWQICHN-GFCCVEGCSA-N 0 0 279.453 2.934 20 10 CFCDRN CCc1cnccc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000774357666 627918758 /nfs/dbraw/zinc/91/87/58/627918758.db2.gz WXSBMKYQHITWTF-VIFPVBQESA-N 0 0 276.361 2.902 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCC=CO2)cc1OC ZINC000775063033 627989794 /nfs/dbraw/zinc/98/97/94/627989794.db2.gz MNJSIFGBGBYXFK-CYBMUJFWSA-N 0 0 263.337 2.833 20 10 CFCDRN Cc1cc(NCc2cc(F)ccc2O)cc(OCCO)c1 ZINC000775206391 628000607 /nfs/dbraw/zinc/00/06/07/628000607.db2.gz NTHHVLLPRIEBKE-UHFFFAOYSA-N 0 0 291.322 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297.358 2.778 20 10 CFCDRN C[C@@H](NCc1nc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000775838393 628074739 /nfs/dbraw/zinc/07/47/39/628074739.db2.gz YCKSIYSBBCNTSP-LLVKDONJSA-N 0 0 286.379 2.864 20 10 CFCDRN C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775987025 628092441 /nfs/dbraw/zinc/09/24/41/628092441.db2.gz UATGMJUIZHKCOC-NXEZZACHSA-N 0 0 286.778 2.709 20 10 CFCDRN CC1(O)CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776222508 628118832 /nfs/dbraw/zinc/11/88/32/628118832.db2.gz NDEZAEJHHOPKHU-UHFFFAOYSA-N 0 0 287.762 2.968 20 10 CFCDRN Oc1cccc(Cl)c1CNc1ccncc1F ZINC000776266354 628124473 /nfs/dbraw/zinc/12/44/73/628124473.db2.gz UHIBIKBZIDBRQB-UHFFFAOYSA-N 0 0 252.676 2.614 20 10 CFCDRN O=C(OCc1ccccc1F)c1cccc(O)c1O ZINC000776283087 628125945 /nfs/dbraw/zinc/12/59/45/628125945.db2.gz HGICOWSWZBPFHU-UHFFFAOYSA-N 0 0 262.236 2.594 20 10 CFCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000776281301 628125987 /nfs/dbraw/zinc/12/59/87/628125987.db2.gz IMJDRAULEKYSCB-NEPJUHHUSA-N 0 0 283.393 2.777 20 10 CFCDRN O=C(OCc1cccc(F)c1F)c1cccc(O)c1O ZINC000776280947 628126079 /nfs/dbraw/zinc/12/60/79/628126079.db2.gz ZLJYCGBPTXBJFZ-UHFFFAOYSA-N 0 0 280.226 2.733 20 10 CFCDRN COC(=O)CC1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000777440739 628225970 /nfs/dbraw/zinc/22/59/70/628225970.db2.gz KZRZCKOMHHYRPT-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN O=C(OCCCc1ccncc1)C1=CC(=O)CS1 ZINC000778317177 628296560 /nfs/dbraw/zinc/29/65/60/628296560.db2.gz TXACTGOEFDRIKB-UHFFFAOYSA-N 0 0 263.318 2.638 20 10 CFCDRN Cc1cccc2c1C(=O)N[C@@H](c1cccc(F)c1O)N2 ZINC000778520292 628312377 /nfs/dbraw/zinc/31/23/77/628312377.db2.gz SDRQLOFYSGDIKF-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2ccsc2[nH]1 ZINC000778919589 628339698 /nfs/dbraw/zinc/33/96/98/628339698.db2.gz GFQHOBQPCDHPQA-UHFFFAOYSA-N 0 0 288.328 2.571 20 10 CFCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000778929109 628340274 /nfs/dbraw/zinc/34/02/74/628340274.db2.gz FPHVILJVYZDKOK-JTQLQIEISA-N 0 0 265.353 2.786 20 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CFCDRN CC[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779516111 628386612 /nfs/dbraw/zinc/38/66/12/628386612.db2.gz ZROQLNXFFHRVTJ-WAFBPQNNSA-N 0 0 261.321 2.512 20 10 CFCDRN CN(Cc1nn(C)c2ccccc12)c1ccc2c(c1)OCO2 ZINC000780778432 628496497 /nfs/dbraw/zinc/49/64/97/628496497.db2.gz IRVIBBBDZMODJQ-UHFFFAOYSA-N 0 0 295.342 2.938 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c(O)c1O ZINC000780941300 628506362 /nfs/dbraw/zinc/50/63/62/628506362.db2.gz SHKITMFQUAOVSD-LLVKDONJSA-N 0 0 299.326 2.834 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(O)c1 ZINC000780943688 628507038 /nfs/dbraw/zinc/50/70/38/628507038.db2.gz NDPXRLWVRYZCRA-UHFFFAOYSA-N 0 0 284.359 2.697 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)c(O)c1O ZINC000780950032 628507459 /nfs/dbraw/zinc/50/74/59/628507459.db2.gz JLCPGPOSQLNOLY-KBXCAEBGSA-N 0 0 297.354 2.866 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780967341 628508872 /nfs/dbraw/zinc/50/88/72/628508872.db2.gz SQMVFCPDPDEWAI-PWSUYJOCSA-N 0 0 263.337 2.715 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000780967342 628508988 /nfs/dbraw/zinc/50/89/88/628508988.db2.gz SQMVFCPDPDEWAI-ZYHUDNBSSA-N 0 0 263.337 2.715 20 10 CFCDRN CC/C(C)=C(/C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000780984709 628511231 /nfs/dbraw/zinc/51/12/31/628511231.db2.gz MHQRGPDVUSKRDE-KHPPLWFESA-N 0 0 263.337 2.503 20 10 CFCDRN Cc1ccc(C(=O)NCCCc2cccs2)c(O)c1O ZINC000781013659 628512675 /nfs/dbraw/zinc/51/26/75/628512675.db2.gz DPNHSJIQADDAGS-UHFFFAOYSA-N 0 0 291.372 2.830 20 10 CFCDRN CSC1(C(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000782007782 628596651 /nfs/dbraw/zinc/59/66/51/628596651.db2.gz IMHXCQGZJHWGLH-UHFFFAOYSA-N 0 0 278.421 2.655 20 10 CFCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000782228785 628617370 /nfs/dbraw/zinc/61/73/70/628617370.db2.gz MQKMGGBDAJBHBF-CQSZACIVSA-N 0 0 291.391 2.689 20 10 CFCDRN CCC[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783321122 628700044 /nfs/dbraw/zinc/70/00/44/628700044.db2.gz DBSRWEKSKPUKNJ-JTQLQIEISA-N 0 0 280.320 2.650 20 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TXMJIARNOPPOCS-ZSHCYNCHSA-N 0 0 287.407 2.659 20 10 CFCDRN Cc1cscc1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000787604076 629021840 /nfs/dbraw/zinc/02/18/40/629021840.db2.gz TVWSWPLJVGNTRV-HYXAFXHYSA-N 0 0 289.356 2.797 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805863739 629060467 /nfs/dbraw/zinc/06/04/67/629060467.db2.gz LAKQFNZBOYWXEZ-SWLSCSKDSA-N 0 0 275.396 2.693 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)C[C@H]2C)cc1 ZINC000788542916 629080847 /nfs/dbraw/zinc/08/08/47/629080847.db2.gz MCEMSOWPMVAQST-RHSMWYFYSA-N 0 0 298.386 2.689 20 10 CFCDRN C[C@@H]([NH2+]CCn1cccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788644993 629089200 /nfs/dbraw/zinc/08/92/00/629089200.db2.gz WOYGXQKHNYXGHK-SNVBAGLBSA-N 0 0 299.296 2.958 20 10 CFCDRN COC(=O)[C@@H](NCc1cccc(C)c1O)c1cccs1 ZINC000789573318 629167538 /nfs/dbraw/zinc/16/75/38/629167538.db2.gz UCPVWGVTQOWZTG-ZDUSSCGKSA-N 0 0 291.372 2.766 20 10 CFCDRN CN(C)c1ccc(CN(CCO)c2ccccc2)cc1F ZINC000789573108 629167572 /nfs/dbraw/zinc/16/75/72/629167572.db2.gz XZXDVNSFMVPGFD-UHFFFAOYSA-N 0 0 288.366 2.891 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789807567 629189952 /nfs/dbraw/zinc/18/99/52/629189952.db2.gz VKWBONUVFFYKMH-OAHLLOKOSA-N 0 0 295.338 2.721 20 10 CFCDRN C[C@H]1CCC[C@@]([NH2+]Cc2ccc3c(c2)CCO3)(C(=O)[O-])C1 ZINC000789901563 629195942 /nfs/dbraw/zinc/19/59/42/629195942.db2.gz AABAZGQIHOEJDO-SJCJKPOMSA-N 0 0 289.375 2.745 20 10 CFCDRN CCN1CCc2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC000790639735 629254007 /nfs/dbraw/zinc/25/40/07/629254007.db2.gz FZQGKRTYMQBKOR-UHFFFAOYSA-N 0 0 298.342 2.733 20 10 CFCDRN CC1(c2ccccc2)CC(NC(=O)c2cccc(O)c2O)C1 ZINC000790663225 629256044 /nfs/dbraw/zinc/25/60/44/629256044.db2.gz RAKJAACVGZGRON-UHFFFAOYSA-N 0 0 297.354 2.948 20 10 CFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1O)CC2 ZINC000790664957 629256599 /nfs/dbraw/zinc/25/65/99/629256599.db2.gz XMGHVHOCLUWADO-AWEZNQCLSA-N 0 0 283.327 2.824 20 10 CFCDRN CC(C)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790885986 629270010 /nfs/dbraw/zinc/27/00/10/629270010.db2.gz DDBFKLGDHGEWNV-UHFFFAOYSA-N 0 0 277.364 2.996 20 10 CFCDRN C[C@@H](Cn1cccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949814 629273543 /nfs/dbraw/zinc/27/35/43/629273543.db2.gz IVSRPMLQSQJOAA-VIFPVBQESA-N 0 0 283.734 2.560 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCCO1 ZINC000790950633 629273639 /nfs/dbraw/zinc/27/36/39/629273639.db2.gz QZVLONFVNZJSEJ-SECBINFHSA-N 0 0 273.735 2.843 20 10 CFCDRN CC1(O)CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790973594 629276021 /nfs/dbraw/zinc/27/60/21/629276021.db2.gz OKKNWRGGXNHYSB-UHFFFAOYSA-N 0 0 287.762 2.968 20 10 CFCDRN Cn1cc(C(C)(C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000790972026 629276140 /nfs/dbraw/zinc/27/61/40/629276140.db2.gz DOCJURGYZGSWJD-UHFFFAOYSA-N 0 0 297.761 2.943 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982660 629277556 /nfs/dbraw/zinc/27/75/56/629277556.db2.gz WKALEEJSTPOGFU-IUCAKERBSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982663 629277696 /nfs/dbraw/zinc/27/76/96/629277696.db2.gz WKALEEJSTPOGFU-RKDXNWHRSA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000790993013 629278689 /nfs/dbraw/zinc/27/86/89/629278689.db2.gz SLHGYZXCSMPSFO-VIFPVBQESA-N 0 0 271.719 2.967 20 10 CFCDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ncccc1F ZINC000791389600 629308024 /nfs/dbraw/zinc/30/80/24/629308024.db2.gz PBBUSQGFHKZYFH-LLVKDONJSA-N 0 0 288.322 2.688 20 10 CFCDRN Cc1ccnc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000791414483 629311483 /nfs/dbraw/zinc/31/14/83/629311483.db2.gz HNKOCEBWZYQGEC-HYXAFXHYSA-N 0 0 285.299 2.558 20 10 CFCDRN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000835025195 629320771 /nfs/dbraw/zinc/32/07/71/629320771.db2.gz OSSWCSHZNFEJNF-FKZIUMHTSA-N 0 0 274.408 2.875 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCC[C@@H]2c2ncon2)cc1 ZINC000835028881 629326924 /nfs/dbraw/zinc/32/69/24/629326924.db2.gz UTTWNZCCJPGWRS-LLCTXKFZSA-N 0 0 298.390 2.986 20 10 CFCDRN CN(C)c1ccc(C=CCNCc2nnc(C3CC3)[nH]2)cc1 ZINC000835055251 629359464 /nfs/dbraw/zinc/35/94/64/629359464.db2.gz SOAQNTOVBZOFSK-ARJAWSKDSA-N 0 0 297.406 2.551 20 10 CFCDRN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000792060929 629394065 /nfs/dbraw/zinc/39/40/65/629394065.db2.gz ZARAIDNAFOYQHX-CHWSQXEVSA-N 0 0 287.407 2.761 20 10 CFCDRN COC1(CN(C)c2ccc3c(c2)OCO3)CCCC1 ZINC000792173839 629405791 /nfs/dbraw/zinc/40/57/91/629405791.db2.gz KLLJALLOTBUEIF-UHFFFAOYSA-N 0 0 263.337 2.811 20 10 CFCDRN C[C@@H](O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174332 629406031 /nfs/dbraw/zinc/40/60/31/629406031.db2.gz RYXQFFKBTMOITD-ZJUUUORDSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1CCSCC[C@H]1C ZINC000792195973 629408278 /nfs/dbraw/zinc/40/82/78/629408278.db2.gz HLKBTEBGLCUSQG-LLVKDONJSA-N 0 0 267.394 2.728 20 10 CFCDRN CC[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOC1 ZINC000792193758 629408665 /nfs/dbraw/zinc/40/86/65/629408665.db2.gz ZOJLFKOTVZZTCQ-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2ncccn2)cc1 ZINC000792198792 629409033 /nfs/dbraw/zinc/40/90/33/629409033.db2.gz MQAWFCPEJUUURR-UHFFFAOYSA-N 0 0 284.407 2.955 20 10 CFCDRN Cc1nc2cc(C(=O)NCc3ccccc3O)ccc2o1 ZINC000792239563 629413799 /nfs/dbraw/zinc/41/37/99/629413799.db2.gz IWARLNVSHQBQOI-UHFFFAOYSA-N 0 0 282.299 2.772 20 10 CFCDRN C[C@H]1CC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000792953425 629470337 /nfs/dbraw/zinc/47/03/37/629470337.db2.gz TXWLZBLMILNIDU-RYUDHWBXSA-N 0 0 262.353 2.628 20 10 CFCDRN COC(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000793184948 629501442 /nfs/dbraw/zinc/50/14/42/629501442.db2.gz BRVKMSBMGNILHE-LBPRGKRZSA-N 0 0 285.343 2.710 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793249153 629513022 /nfs/dbraw/zinc/51/30/22/629513022.db2.gz DTKWGSIARSRWRA-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]32)cc1C(C)C ZINC000793621331 629580056 /nfs/dbraw/zinc/58/00/56/629580056.db2.gz PVQPVVVBVDZIQE-GOEBONIOSA-N 0 0 261.365 2.797 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC(F)F)c1 ZINC000793689878 629586216 /nfs/dbraw/zinc/58/62/16/629586216.db2.gz PIOIMNGGNSLBMH-MRVPVSSYSA-N 0 0 273.279 2.623 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCC2(F)CCC2)cc1 ZINC000806041914 629618715 /nfs/dbraw/zinc/61/87/15/629618715.db2.gz MXAGYDWVOMGOBN-UHFFFAOYSA-N 0 0 293.386 2.834 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC(C)(C)C1 ZINC000794277089 629629803 /nfs/dbraw/zinc/62/98/03/629629803.db2.gz SOSVVEFBNZQRLP-SNVBAGLBSA-N 0 0 263.337 2.749 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc3cc[nH]c3c2)c(O)c1 ZINC000794370631 629641234 /nfs/dbraw/zinc/64/12/34/629641234.db2.gz REQSXIUKPCCFCG-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(CNC(=O)c2cc3ccccn3c2)c(O)c1 ZINC000794374385 629641310 /nfs/dbraw/zinc/64/13/10/629641310.db2.gz RFIGRLRDRNYFRV-UHFFFAOYSA-N 0 0 296.326 2.584 20 10 CFCDRN CCc1ccccc1CC(=O)NCc1ccc(OC)cc1O ZINC000794372780 629641339 /nfs/dbraw/zinc/64/13/39/629641339.db2.gz DIZOQSDVRAGMGC-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(F)cc(F)c2)c(O)c1 ZINC000794376844 629641354 /nfs/dbraw/zinc/64/13/54/629641354.db2.gz BSPQFRVAWRIOTE-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1ccc(CNC(=O)c2ccnc(C3CC3)c2)c(O)c1 ZINC000794373749 629641519 /nfs/dbraw/zinc/64/15/19/629641519.db2.gz LZESSVRTOVIXOT-UHFFFAOYSA-N 0 0 298.342 2.603 20 10 CFCDRN C=Cc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794373019 629641554 /nfs/dbraw/zinc/64/15/54/629641554.db2.gz DTFSLFOZPIPRSG-UHFFFAOYSA-N 0 0 283.327 2.974 20 10 CFCDRN COc1ccc(CNC(=O)c2c(C)cccc2C)c(O)c1 ZINC000794380617 629642079 /nfs/dbraw/zinc/64/20/79/629642079.db2.gz FKILYSKKEGNDQD-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(F)c(C)c2)c(O)c1 ZINC000794380314 629642269 /nfs/dbraw/zinc/64/22/69/629642269.db2.gz ATIRGMSWRHKHEJ-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN COc1ccc(CNC(=O)C2C(C)(C)C2(C)C)c(O)c1 ZINC000794386822 629642987 /nfs/dbraw/zinc/64/29/87/629642987.db2.gz BRSYLFOKQDFUCZ-UHFFFAOYSA-N 0 0 277.364 2.699 20 10 CFCDRN COc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)c(O)c1 ZINC000795285974 629756957 /nfs/dbraw/zinc/75/69/57/629756957.db2.gz XCFLBVDCZHHBBY-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1ccc(CNc2cncc(OC(C)C)n2)c(O)c1 ZINC000795285480 629757074 /nfs/dbraw/zinc/75/70/74/629757074.db2.gz PXFXJCCCOGFVLP-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN COc1ccc(CNc2nc(C)nc3c2CCCC3)c(O)c1 ZINC000795285959 629757403 /nfs/dbraw/zinc/75/74/03/629757403.db2.gz WXRMYVGKEDZNDU-UHFFFAOYSA-N 0 0 299.374 2.990 20 10 CFCDRN O=C(COC(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000795769662 629831472 /nfs/dbraw/zinc/83/14/72/629831472.db2.gz UJVMXMBGFIENEQ-UHFFFAOYSA-N 0 0 298.333 2.532 20 10 CFCDRN CC1(C)C(CNC(=O)C2=CC(=O)CS2)C1(C)C ZINC000796260381 629897423 /nfs/dbraw/zinc/89/74/23/629897423.db2.gz SEAUIFXBCNTUIT-UHFFFAOYSA-N 0 0 253.367 2.866 20 10 CFCDRN CC(C)c1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000796372883 629910616 /nfs/dbraw/zinc/91/06/16/629910616.db2.gz ZNISVNSKTFIEMN-UHFFFAOYSA-N 0 0 263.322 2.619 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000796487759 629925635 /nfs/dbraw/zinc/92/56/35/629925635.db2.gz DEELRXYRHUHFGV-UHFFFAOYSA-N 0 0 290.241 2.733 20 10 CFCDRN COc1ccc(N(CCC(C)C)CCn2cncn2)cc1 ZINC000796502200 629927190 /nfs/dbraw/zinc/92/71/90/629927190.db2.gz BIIBQFIQJDSHHT-UHFFFAOYSA-N 0 0 288.395 2.839 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(F)cc1[O-] ZINC000796726466 629955740 /nfs/dbraw/zinc/95/57/40/629955740.db2.gz QZIARDCWDBVHGY-IAQYHMDHSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)Cc1cnccn1)c1ccc(F)cc1[O-] ZINC000796726464 629956080 /nfs/dbraw/zinc/95/60/80/629956080.db2.gz QZIARDCWDBVHGY-ABAIWWIYSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000796749519 629959475 /nfs/dbraw/zinc/95/94/75/629959475.db2.gz YNQUNYDVLALNMW-SWLSCSKDSA-N 0 0 278.371 2.809 20 10 CFCDRN CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1[O-] ZINC000796813952 629971794 /nfs/dbraw/zinc/97/17/94/629971794.db2.gz JTNUGWXZMVMEAG-AWEZNQCLSA-N 0 0 294.370 2.631 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(F)cc1[O-] ZINC000796848999 629978400 /nfs/dbraw/zinc/97/84/00/629978400.db2.gz SFRKLLRAWIFHEV-CQSZACIVSA-N 0 0 275.327 2.871 20 10 CFCDRN CC[C@H]([NH2+]CCc1cnccn1)c1ccc(F)cc1[O-] ZINC000796854045 629980023 /nfs/dbraw/zinc/98/00/23/629980023.db2.gz JRRMFPCVAGDJFJ-AWEZNQCLSA-N 0 0 275.327 2.605 20 10 CFCDRN CC[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000796939922 629992181 /nfs/dbraw/zinc/99/21/81/629992181.db2.gz SSWNDXGHJFWXLV-CQSZACIVSA-N 0 0 277.343 2.548 20 10 CFCDRN CC[C@H]([NH2+]CC1(CCO)CC1)c1ccc(F)cc1[O-] ZINC000796952237 629994997 /nfs/dbraw/zinc/99/49/97/629994997.db2.gz XTHRQBKSXZOLEY-ZDUSSCGKSA-N 0 0 267.344 2.735 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)(CC)OC ZINC000797714306 630098215 /nfs/dbraw/zinc/09/82/15/630098215.db2.gz GWCRPYAQZNDTMU-QGZVFWFLSA-N 0 0 292.423 2.916 20 10 CFCDRN CC1=CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000798067358 630145899 /nfs/dbraw/zinc/14/58/99/630145899.db2.gz HIVQJGZTIITJIS-UHFFFAOYSA-N 0 0 297.402 2.924 20 10 CFCDRN O=C(NC[C@H]1CCC(F)(F)C1)C1=CC(=O)CS1 ZINC000798116214 630152602 /nfs/dbraw/zinc/15/26/02/630152602.db2.gz HPVIKCCLEZLJBR-ZETCQYMHSA-N 0 0 261.293 2.619 20 10 CFCDRN C[C@H]([NH2+]CCn1ccnc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179633 630160658 /nfs/dbraw/zinc/16/06/58/630160658.db2.gz IGKITRBYUOVXGL-JTQLQIEISA-N 0 0 299.296 2.958 20 10 CFCDRN CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1 ZINC000798246334 630173849 /nfs/dbraw/zinc/17/38/49/630173849.db2.gz BAMSFQWOUMDOJW-LBPRGKRZSA-N 0 0 257.355 2.713 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(CO)c1 ZINC000798298015 630178624 /nfs/dbraw/zinc/17/86/24/630178624.db2.gz LTDZAFKGHNEEEV-UHFFFAOYSA-N 0 0 299.370 2.937 20 10 CFCDRN CCOc1ccc(N(C)Cc2cnc(OC)nc2C)cc1 ZINC000799124276 630278544 /nfs/dbraw/zinc/27/85/44/630278544.db2.gz JCZHHANWBUKRSI-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN CN(Cc1ncnn1-c1ccccc1)Cc1ccccc1O ZINC000799137065 630280182 /nfs/dbraw/zinc/28/01/82/630280182.db2.gz SVRRIDDRYCSULZ-UHFFFAOYSA-N 0 0 294.358 2.605 20 10 CFCDRN CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852649697 634798174 /nfs/dbraw/zinc/79/81/74/634798174.db2.gz SJCWQPODOFJLNQ-INIZCTEOSA-N 0 0 289.423 2.986 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CC(C)(C)C ZINC000799773383 630343051 /nfs/dbraw/zinc/34/30/51/630343051.db2.gz YDUXSTRPTHJPJU-UHFFFAOYSA-N 0 0 298.452 2.527 20 10 CFCDRN O=C(CSc1ncc([N+](=O)[O-])s1)Nc1ccccc1 ZINC000799970668 630357141 /nfs/dbraw/zinc/35/71/41/630357141.db2.gz SHYKKVZLFWQOKX-UHFFFAOYSA-N 0 0 295.345 2.782 20 10 CFCDRN CCOCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919266 630403558 /nfs/dbraw/zinc/40/35/58/630403558.db2.gz QJSTXTHMBHKLRY-CQSZACIVSA-N 0 0 292.423 2.535 20 10 CFCDRN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000800888549 630414629 /nfs/dbraw/zinc/41/46/29/630414629.db2.gz IOKOCCMISTXEOZ-UHFFFAOYSA-N 0 0 292.257 2.979 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cc(F)ccc21 ZINC000801545077 630456179 /nfs/dbraw/zinc/45/61/79/630456179.db2.gz GKSWGVMFOHPZEN-QHHAFSJGSA-N 0 0 299.301 2.839 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC1 ZINC000801550375 630456912 /nfs/dbraw/zinc/45/69/12/630456912.db2.gz XWWQDBAGBBABAD-AWEZNQCLSA-N 0 0 291.391 2.948 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000803090144 630583617 /nfs/dbraw/zinc/58/36/17/630583617.db2.gz VHYPDPDUKKCMHZ-VIFPVBQESA-N 0 0 291.372 2.829 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1Cc2ccccc21 ZINC000803399855 630612966 /nfs/dbraw/zinc/61/29/66/630612966.db2.gz HXMVDBUFDQDFRO-OWNNVSBGSA-N 0 0 296.322 2.994 20 10 CFCDRN CSc1cnc(N(C)Cc2ccc(N(C)C)cc2)nc1 ZINC000804329488 630672569 /nfs/dbraw/zinc/67/25/69/630672569.db2.gz LYUJBRYTIRJLNU-UHFFFAOYSA-N 0 0 288.420 2.901 20 10 CFCDRN CC[C@@H]([NH2+]CC[S@@](=O)CC)c1cccc(Cl)c1[O-] ZINC000806138707 630772368 /nfs/dbraw/zinc/77/23/68/630772368.db2.gz AHPJVNPFMVSMEP-XIKOKIGWSA-N 0 0 289.828 2.855 20 10 CFCDRN C[C@@H](F)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000836405651 630811600 /nfs/dbraw/zinc/81/16/00/630811600.db2.gz KJCOYLDKVCUUQQ-NEPJUHHUSA-N 0 0 281.375 2.861 20 10 CFCDRN OCCc1ccc(NCc2c(O)cccc2Cl)cn1 ZINC000806670522 630828890 /nfs/dbraw/zinc/82/88/90/630828890.db2.gz MJHMOSYRUHULMT-UHFFFAOYSA-N 0 0 278.739 2.588 20 10 CFCDRN C[C@@H]1CC[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000806958098 630850052 /nfs/dbraw/zinc/85/00/52/630850052.db2.gz CTUFYXCRWKWUGT-ZJUUUORDSA-N 0 0 285.438 2.723 20 10 CFCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)OC)cc1 ZINC000807272538 630873064 /nfs/dbraw/zinc/87/30/64/630873064.db2.gz JQTFYVOGFOEAKU-ZDUSSCGKSA-N 0 0 278.396 2.526 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCC1(F)F ZINC000836834186 630895674 /nfs/dbraw/zinc/89/56/74/630895674.db2.gz VDRNGTBFVNPZMY-VLWUPBBWSA-N 0 0 297.301 2.663 20 10 CFCDRN COCC(C)(C)CCCNC(=O)C1=CC(=O)CS1 ZINC000807799973 630911347 /nfs/dbraw/zinc/91/13/47/630911347.db2.gz BASHEVBGBYHGCU-UHFFFAOYSA-N 0 0 271.382 2.636 20 10 CFCDRN COc1cccc(CNc2ccc3c(n2)CCC3=O)c1O ZINC000807960039 630926128 /nfs/dbraw/zinc/92/61/28/630926128.db2.gz KCTVCRLACRYQQE-UHFFFAOYSA-N 0 0 284.315 2.537 20 10 CFCDRN CC(=O)C(=O)CSc1nc2ccc(Cl)cc2o1 ZINC000808011133 630941635 /nfs/dbraw/zinc/94/16/35/630941635.db2.gz POLWEIDHQJYJFM-UHFFFAOYSA-N 0 0 269.709 2.731 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csnc1C ZINC000808095151 630950065 /nfs/dbraw/zinc/95/00/65/630950065.db2.gz TWOWGLVPUCDMBN-UHFFFAOYSA-N 0 0 297.376 2.573 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808422152 630989453 /nfs/dbraw/zinc/98/94/53/630989453.db2.gz YBPBJVWYFWMVSS-VIFPVBQESA-N 0 0 275.751 2.539 20 10 CFCDRN CCC(C)(C)OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000837316206 630996070 /nfs/dbraw/zinc/99/60/70/630996070.db2.gz IAOZJJKAIPKRSS-UHFFFAOYSA-N 0 0 278.396 2.574 20 10 CFCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 ZINC000837315967 630996143 /nfs/dbraw/zinc/99/61/43/630996143.db2.gz FGBMETMOCVGLFD-SNVBAGLBSA-N 0 0 288.313 2.957 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000808515457 631005819 /nfs/dbraw/zinc/00/58/19/631005819.db2.gz HOQWIIBYQLCJHL-HZPDHXFCSA-N 0 0 296.322 2.645 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H](c1cccc(Cl)c1)C(C)C ZINC000808523102 631007387 /nfs/dbraw/zinc/00/73/87/631007387.db2.gz JFABTRSERBWXJK-CQSZACIVSA-N 0 0 296.750 2.781 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000837378593 631016425 /nfs/dbraw/zinc/01/64/25/631016425.db2.gz CDLIBWFLFXMEAQ-LSDHHAIUSA-N 0 0 275.396 2.596 20 10 CFCDRN CC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1 ZINC000808621949 631019510 /nfs/dbraw/zinc/01/95/10/631019510.db2.gz LUPNJXDCPVPYFM-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN COc1cncc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000808714269 631033046 /nfs/dbraw/zinc/03/30/46/631033046.db2.gz YOZRFQGEEHAOAS-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1cc2n(n1)CCC2 ZINC000840709775 631175720 /nfs/dbraw/zinc/17/57/20/631175720.db2.gz MDFAJANMSSVFTK-ZDUSSCGKSA-N 0 0 284.407 2.746 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000840835536 631234906 /nfs/dbraw/zinc/23/49/06/631234906.db2.gz MHJNQCZRMJYVCM-MNOVXSKESA-N 0 0 255.333 2.855 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ccncc1F ZINC000840883237 631250738 /nfs/dbraw/zinc/25/07/38/631250738.db2.gz TUSYJYFERSYNPJ-UHFFFAOYSA-N 0 0 259.328 2.629 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnc(C(F)(F)F)c1 ZINC000809642859 631254559 /nfs/dbraw/zinc/25/45/59/631254559.db2.gz LAWBZVCANXQOLY-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN COCCn1cc(NCc2c(O)cc(C)cc2Cl)cn1 ZINC000840908210 631259124 /nfs/dbraw/zinc/25/91/24/631259124.db2.gz VWCVDZOUXADQRV-UHFFFAOYSA-N 0 0 295.770 2.809 20 10 CFCDRN Cc1ccc(N2CCN(Cc3ccccc3O)CC2=O)cc1 ZINC000809686950 631264090 /nfs/dbraw/zinc/26/40/90/631264090.db2.gz RGTGOLVFBXGPOG-UHFFFAOYSA-N 0 0 296.370 2.549 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1ccc(N(C)C)cc1C)CC2 ZINC000840936217 631269020 /nfs/dbraw/zinc/26/90/20/631269020.db2.gz HGZXBFNVCPMKDN-UHFFFAOYSA-N 0 0 284.407 2.582 20 10 CFCDRN CN(CCC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F ZINC000809729411 631272802 /nfs/dbraw/zinc/27/28/02/631272802.db2.gz HNWXNUAYZKWNGO-UHFFFAOYSA-N 0 0 274.767 2.568 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1nn(C)cc1Cl ZINC000840949897 631276679 /nfs/dbraw/zinc/27/66/79/631276679.db2.gz BXJVXMUJXWCZIU-UHFFFAOYSA-N 0 0 292.814 2.738 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)c(Cl)c1 ZINC000840953757 631280669 /nfs/dbraw/zinc/28/06/69/631280669.db2.gz YXJRSHXHYBDEJY-UHFFFAOYSA-N 0 0 281.783 2.966 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CC(C(C)(C)O)C2)c(Cl)c1 ZINC000840953301 631280799 /nfs/dbraw/zinc/28/07/99/631280799.db2.gz OLTJLHCQWQPVFT-UHFFFAOYSA-N 0 0 269.772 2.557 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1csnn1 ZINC000840969697 631288880 /nfs/dbraw/zinc/28/88/80/631288880.db2.gz JMCJLWDCRDXCHU-SECBINFHSA-N 0 0 280.372 2.594 20 10 CFCDRN Cc1cc(O)c(CN[C@H](C)c2csnn2)cc1C ZINC000840970199 631289804 /nfs/dbraw/zinc/28/98/04/631289804.db2.gz PKWWCQYXYPPRHH-SNVBAGLBSA-N 0 0 263.366 2.711 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840976043 631291104 /nfs/dbraw/zinc/29/11/04/631291104.db2.gz BCUOSKFPHGKGQK-CABZTGNLSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1cccc(CNCc2nnc(C3CC3)s2)c1O ZINC000840973843 631291116 /nfs/dbraw/zinc/29/11/16/631291116.db2.gz WZPJSJCLOUWJOY-UHFFFAOYSA-N 0 0 275.377 2.719 20 10 CFCDRN Cc1ccc(O)c(CNCc2nnc(C3CC3)s2)c1 ZINC000840973325 631291480 /nfs/dbraw/zinc/29/14/80/631291480.db2.gz IYZKZVTYQWIUPN-UHFFFAOYSA-N 0 0 275.377 2.719 20 10 CFCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000840996653 631296583 /nfs/dbraw/zinc/29/65/83/631296583.db2.gz GCELXFZUSZYOLX-NSHDSACASA-N 0 0 282.359 2.577 20 10 CFCDRN COc1cc(COc2ccc(N(C)C)cc2)ccn1 ZINC000810002452 631311820 /nfs/dbraw/zinc/31/18/20/631311820.db2.gz XSTDPWJOQOKGSI-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033356 631313766 /nfs/dbraw/zinc/31/37/66/631313766.db2.gz RKRHPKDASBQJHK-NSHDSACASA-N 0 0 289.206 2.931 20 10 CFCDRN CCOc1ccc(O)c(CNc2ccc(OC)c(N)c2)c1 ZINC000841040232 631317487 /nfs/dbraw/zinc/31/74/87/631317487.db2.gz JJLQNTWJPMHPHJ-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(F)cc(F)c1[O-] ZINC000810253629 631350613 /nfs/dbraw/zinc/35/06/13/631350613.db2.gz YYZIWWHAUAEZDM-WPRPVWTQSA-N 0 0 293.317 2.602 20 10 CFCDRN COCC[C@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841296200 631376803 /nfs/dbraw/zinc/37/68/03/631376803.db2.gz QOIKKNMXWSNWSY-CYBMUJFWSA-N 0 0 291.395 2.939 20 10 CFCDRN Cc1csc([C@H](C)CNC(=O)Nc2ccc(N)cc2)n1 ZINC000841296493 631377295 /nfs/dbraw/zinc/37/72/95/631377295.db2.gz UASWKSYLRBZCEM-SECBINFHSA-N 0 0 290.392 2.959 20 10 CFCDRN CCO[C@H](CCNC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841299931 631377763 /nfs/dbraw/zinc/37/77/63/631377763.db2.gz LXWGONGAICANNG-CQSZACIVSA-N 0 0 279.384 2.842 20 10 CFCDRN Nc1ccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)cc1 ZINC000841299239 631378044 /nfs/dbraw/zinc/37/80/44/631378044.db2.gz XOLFZARXFCDTRV-IUODEOHRSA-N 0 0 291.395 2.722 20 10 CFCDRN C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841300025 631378142 /nfs/dbraw/zinc/37/81/42/631378142.db2.gz QMVMGCVFBQQAMI-CLLJXQQHSA-N 0 0 291.395 2.984 20 10 CFCDRN CCC(CC)(CCO)CNC(=O)Nc1ccc(N)cc1 ZINC000841300907 631379175 /nfs/dbraw/zinc/37/91/75/631379175.db2.gz WLGSMMDLRLBSBS-UHFFFAOYSA-N 0 0 279.384 2.579 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1nc2c(s1)CCC2 ZINC000841402051 631400124 /nfs/dbraw/zinc/40/01/24/631400124.db2.gz BTRDHGWQNCASEL-UHFFFAOYSA-N 0 0 288.372 2.610 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841617011 631432921 /nfs/dbraw/zinc/43/29/21/631432921.db2.gz CEHXZPJJXRBOJB-IUODEOHRSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC000841620738 631434497 /nfs/dbraw/zinc/43/44/97/631434497.db2.gz WNHIGDHCUCUNET-IOASZLSFSA-N 0 0 289.423 2.935 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841709120 631457419 /nfs/dbraw/zinc/45/74/19/631457419.db2.gz CBZKVPQWSXBJJY-IUODEOHRSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@H]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841732512 631461743 /nfs/dbraw/zinc/46/17/43/631461743.db2.gz ULJDRKFUPFPCFJ-DZGCQCFKSA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747429 631464315 /nfs/dbraw/zinc/46/43/15/631464315.db2.gz AVVQLPMMCSLBTN-JJQCHNSYSA-N 0 0 289.828 2.853 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1ccc(Cl)cc1O ZINC000841750718 631465340 /nfs/dbraw/zinc/46/53/40/631465340.db2.gz AMALHWSZRQGGOR-QMMMGPOBSA-N 0 0 281.743 2.961 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841751073 631465393 /nfs/dbraw/zinc/46/53/93/631465393.db2.gz FICDICUGHXFLBJ-VIFPVBQESA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@H]([NH2+]CCc1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000841750719 631465545 /nfs/dbraw/zinc/46/55/45/631465545.db2.gz AMEXPLOPMUUQPX-JTQLQIEISA-N 0 0 279.771 2.672 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841751861 631465557 /nfs/dbraw/zinc/46/55/57/631465557.db2.gz KZEFAMYDQIZGTD-NHCYSSNCSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(Cl)cc1[O-] ZINC000841751072 631465992 /nfs/dbraw/zinc/46/59/92/631465992.db2.gz FICDICUGHXFLBJ-SECBINFHSA-N 0 0 257.761 2.857 20 10 CFCDRN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754546 631466895 /nfs/dbraw/zinc/46/68/95/631466895.db2.gz KRIZIIKYNKNFGT-JRKPZEMJSA-N 0 0 289.828 2.809 20 10 CFCDRN C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(Cl)cc1[O-] ZINC000841753885 631467280 /nfs/dbraw/zinc/46/72/80/631467280.db2.gz NYZIQPZYPNGAMH-SNVBAGLBSA-N 0 0 269.772 2.859 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841759235 631468265 /nfs/dbraw/zinc/46/82/65/631468265.db2.gz XPWVXEOCUUOUAQ-OUJBWJOFSA-N 0 0 269.772 2.857 20 10 CFCDRN CC(C)(C)SCCNC(=O)NCCc1ccc(N)cc1 ZINC000841782592 631470983 /nfs/dbraw/zinc/47/09/83/631470983.db2.gz WBBWLUFRNRJMQA-UHFFFAOYSA-N 0 0 295.452 2.642 20 10 CFCDRN CC[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841794582 631472628 /nfs/dbraw/zinc/47/26/28/631472628.db2.gz ZLNLBUZNWCOMNJ-OAHLLOKOSA-N 0 0 265.353 2.594 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000841807929 631473593 /nfs/dbraw/zinc/47/35/93/631473593.db2.gz GHYFNHQGYKDMKM-QWHCGFSZSA-N 0 0 278.396 2.732 20 10 CFCDRN CC[C@@H](CCC(=O)[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC000841812566 631474666 /nfs/dbraw/zinc/47/46/66/631474666.db2.gz YEHICAJVCYZNKF-ZDUSSCGKSA-N 0 0 265.353 2.737 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000841889327 631487678 /nfs/dbraw/zinc/48/76/78/631487678.db2.gz BLHTYCJKVHOCEF-DCAQKATOSA-N 0 0 294.351 2.785 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000841889329 631488030 /nfs/dbraw/zinc/48/80/30/631488030.db2.gz BLHTYCJKVHOCEF-HBNTYKKESA-N 0 0 294.351 2.785 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000841889326 631488245 /nfs/dbraw/zinc/48/82/45/631488245.db2.gz BLHTYCJKVHOCEF-AXFHLTTASA-N 0 0 294.351 2.785 20 10 CFCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841915103 631493242 /nfs/dbraw/zinc/49/32/42/631493242.db2.gz FMBWEEFPXYSUCQ-GOEBONIOSA-N 0 0 275.396 2.545 20 10 CFCDRN Nc1ccc(CCNC(=O)N(CC2CC2)C2CCC2)cc1 ZINC000841959430 631496714 /nfs/dbraw/zinc/49/67/14/631496714.db2.gz OAYFJTKHHWCLEX-UHFFFAOYSA-N 0 0 287.407 2.785 20 10 CFCDRN CC1=C(C)CN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957767 631496841 /nfs/dbraw/zinc/49/68/41/631496841.db2.gz DIZSGDPVNJEALE-UHFFFAOYSA-N 0 0 273.380 2.563 20 10 CFCDRN CC(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960087 631497390 /nfs/dbraw/zinc/49/73/90/631497390.db2.gz UVSIDWPVONFPBE-OAHLLOKOSA-N 0 0 289.423 2.889 20 10 CFCDRN CC[C@H]1[C@H](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960170 631497505 /nfs/dbraw/zinc/49/75/05/631497505.db2.gz WUDDDCKAJJFIQQ-DOMZBBRYSA-N 0 0 275.396 2.641 20 10 CFCDRN COc1nccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000842033806 631507986 /nfs/dbraw/zinc/50/79/86/631507986.db2.gz DZVJMFSKWQLJAA-UHFFFAOYSA-N 0 0 285.347 2.664 20 10 CFCDRN Cc1ncsc1COC(=O)c1ccc(C)c(O)c1O ZINC000811113010 631518353 /nfs/dbraw/zinc/51/83/53/631518353.db2.gz XUHPLQCBUCPAHN-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN CC[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000842149955 631553332 /nfs/dbraw/zinc/55/33/32/631553332.db2.gz HYYPMRUEJWGCCJ-LBPRGKRZSA-N 0 0 283.368 2.574 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000811518102 631576055 /nfs/dbraw/zinc/57/60/55/631576055.db2.gz GRVYFACPMWXBIL-CYBMUJFWSA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)c1nnc(NCCc2ccc(O)c(O)c2)s1 ZINC000811811445 631625833 /nfs/dbraw/zinc/62/58/33/631625833.db2.gz USORWVLYBMIHQM-UHFFFAOYSA-N 0 0 279.365 2.727 20 10 CFCDRN C[C@@H](NC(=O)NOC/C=C/Cl)c1ccc(N(C)C)cc1 ZINC000811905803 631639237 /nfs/dbraw/zinc/63/92/37/631639237.db2.gz LHJSDAPEKGGBLA-VCFDLTMXSA-N 0 0 297.786 2.797 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(F)c(F)c2)c1O ZINC000155467407 650022098 /nfs/dbraw/zinc/02/20/98/650022098.db2.gz DFSGWJOTAKWJPG-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN CCCC[C@](C)(CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000842745758 631726215 /nfs/dbraw/zinc/72/62/15/631726215.db2.gz FYVSCVXLHLAVPM-MRXNPFEDSA-N 0 0 281.396 2.822 20 10 CFCDRN COC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000812544827 631731395 /nfs/dbraw/zinc/73/13/95/631731395.db2.gz VGQXKVGYJDIQDJ-MELADBBJSA-N 0 0 292.423 2.848 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)C3(C)CC3)C2)cc1 ZINC000842878282 631771690 /nfs/dbraw/zinc/77/16/90/631771690.db2.gz KALSDDVYGCVTJF-CYBMUJFWSA-N 0 0 289.375 2.865 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC1 ZINC000812780329 631772690 /nfs/dbraw/zinc/77/26/90/631772690.db2.gz AHTYFHOVFIOTIN-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000842916706 631781375 /nfs/dbraw/zinc/78/13/75/631781375.db2.gz MSMSQFJAZJCVSX-LOWVWBTDSA-N 0 0 269.360 2.979 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000842927454 631784257 /nfs/dbraw/zinc/78/42/57/631784257.db2.gz FJIPSWRRRVIVRR-KWBADKCTSA-N 0 0 295.404 2.723 20 10 CFCDRN C[C@H](NC(=O)NCCCCF)c1ccc(N(C)C)cc1 ZINC000812903038 631804749 /nfs/dbraw/zinc/80/47/49/631804749.db2.gz OROOOWGBJUCOCV-LBPRGKRZSA-N 0 0 281.375 2.863 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCCF)c1 ZINC000812928825 631807526 /nfs/dbraw/zinc/80/75/26/631807526.db2.gz JTDIFPGIWCUXBB-JTQLQIEISA-N 0 0 284.331 2.511 20 10 CFCDRN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c1O ZINC000843040665 631809515 /nfs/dbraw/zinc/80/95/15/631809515.db2.gz XDLOLDZYYVDFSK-JOYOIKCWSA-N 0 0 283.755 2.697 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039086 631809786 /nfs/dbraw/zinc/80/97/86/631809786.db2.gz ANISFBVENDLRRW-RNCFNFMXSA-N 0 0 297.782 2.897 20 10 CFCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000843039211 631809839 /nfs/dbraw/zinc/80/98/39/631809839.db2.gz OCLAYRAHCJBRET-NMONBKHDSA-N 0 0 288.391 2.609 20 10 CFCDRN CC(C)(C)c1cc(-c2nc(Cc3ccc(N)cc3)no2)n[nH]1 ZINC000843158285 631869374 /nfs/dbraw/zinc/86/93/74/631869374.db2.gz AVIVNFCHZWNDFG-UHFFFAOYSA-N 0 0 297.362 2.930 20 10 CFCDRN CC(C)SCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158706 631870502 /nfs/dbraw/zinc/87/05/02/631870502.db2.gz HIOZXJVKIKWVLY-UHFFFAOYSA-N 0 0 263.366 2.884 20 10 CFCDRN C[C@H]1C[C@@H](c2noc(Cc3ccc(N)cc3)n2)CCO1 ZINC000843195138 631896561 /nfs/dbraw/zinc/89/65/61/631896561.db2.gz YPCVVTBMXFCMPQ-JQWIXIFHSA-N 0 0 273.336 2.525 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813333578 631905968 /nfs/dbraw/zinc/90/59/68/631905968.db2.gz OFQTVENFIJRNNE-ZDUSSCGKSA-N 0 0 285.771 2.678 20 10 CFCDRN COCCC1(c2noc(Cc3ccc(N)cc3)n2)CCC1 ZINC000843240913 631912379 /nfs/dbraw/zinc/91/23/79/631912379.db2.gz MIWBRISSYLNHIU-UHFFFAOYSA-N 0 0 287.363 2.701 20 10 CFCDRN CCOC(=O)CCc1csc(Cc2ccc(N)cc2)n1 ZINC000843289413 631919462 /nfs/dbraw/zinc/91/94/62/631919462.db2.gz RVTQYRPAOMOMAO-UHFFFAOYSA-N 0 0 290.388 2.812 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCCCC(=O)C1 ZINC000813488970 631926292 /nfs/dbraw/zinc/92/62/92/631926292.db2.gz KJXGTIPFOMJXCR-LBPRGKRZSA-N 0 0 275.348 2.548 20 10 CFCDRN C[C@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc21 ZINC000843342582 631932354 /nfs/dbraw/zinc/93/23/54/631932354.db2.gz NZDXFWTZFKWGRE-IBGZPJMESA-N 0 0 294.398 2.832 20 10 CFCDRN CC[C@@H](C)C[C@H](NCc1cc(F)ccc1O)C(=O)OC ZINC000843415341 631947271 /nfs/dbraw/zinc/94/72/71/631947271.db2.gz KFNKUXVIBKFHFO-MFKMUULPSA-N 0 0 283.343 2.599 20 10 CFCDRN CC(C)[C@@H]([NH2+]Cc1ccccc1O)C1(CO)CCC1 ZINC000814169201 632021012 /nfs/dbraw/zinc/02/10/12/632021012.db2.gz FDZVYBYSVJTHOQ-OAHLLOKOSA-N 0 0 263.381 2.669 20 10 CFCDRN Cc1ccc(C(=O)NCC2CCC(F)CC2)c(O)c1O ZINC000844096616 632118239 /nfs/dbraw/zinc/11/82/39/632118239.db2.gz HVRKGNGTZKXFLY-UHFFFAOYSA-N 0 0 281.327 2.664 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(OC)cn2)cc1 ZINC000844352698 632176792 /nfs/dbraw/zinc/17/67/92/632176792.db2.gz CXMMPYCBCYTZBG-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COc1ccc(N(C)C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000844354671 632177584 /nfs/dbraw/zinc/17/75/84/632177584.db2.gz GFECEXYBSPJIOP-INIZCTEOSA-N 0 0 289.350 2.874 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)C)cc1 ZINC000844356825 632179337 /nfs/dbraw/zinc/17/93/37/632179337.db2.gz YGJJZUQCYIHYPS-UHFFFAOYSA-N 0 0 260.341 2.504 20 10 CFCDRN CN(C)c1ccc(CN2CCCC(F)(F)C2)cc1 ZINC000844379014 632186131 /nfs/dbraw/zinc/18/61/31/632186131.db2.gz SXQLXMHQDRWAAB-UHFFFAOYSA-N 0 0 254.324 2.984 20 10 CFCDRN C[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000815222396 632232834 /nfs/dbraw/zinc/23/28/34/632232834.db2.gz OVWXTRZEWNESLU-UHLPNAGUSA-N 0 0 262.305 2.843 20 10 CFCDRN COc1cc(CN2CCCC(F)(F)C2)c(O)cc1C ZINC000844713810 632288543 /nfs/dbraw/zinc/28/85/43/632288543.db2.gz IOBDWHOOTUWYBA-UHFFFAOYSA-N 0 0 271.307 2.940 20 10 CFCDRN C[C@H](F)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815645413 632304656 /nfs/dbraw/zinc/30/46/56/632304656.db2.gz DVFFGHCTAIMOLO-IUCAKERBSA-N 0 0 256.277 2.699 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000815650969 632305541 /nfs/dbraw/zinc/30/55/41/632305541.db2.gz GLICPRFKSWPIEG-OQPBUACISA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C)cc1 ZINC000844851751 632323060 /nfs/dbraw/zinc/32/30/60/632323060.db2.gz FSDCYKXVTRNFGT-UHFFFAOYSA-N 0 0 278.396 2.636 20 10 CFCDRN COc1cccc(CNC(=O)c2sccc2F)c1O ZINC000815834596 632325314 /nfs/dbraw/zinc/32/53/14/632325314.db2.gz PQUPSXGHXXHEAD-UHFFFAOYSA-N 0 0 281.308 2.531 20 10 CFCDRN O=C(NCCC1CC1)NCc1cc(Cl)ccc1O ZINC000845013487 632357403 /nfs/dbraw/zinc/35/74/03/632357403.db2.gz PIANXANLDCYURF-UHFFFAOYSA-N 0 0 268.744 2.645 20 10 CFCDRN OC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816478182 632467235 /nfs/dbraw/zinc/46/72/35/632467235.db2.gz WXVGEYLBSNHSSI-ZDUSSCGKSA-N 0 0 271.360 2.750 20 10 CFCDRN NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816479960 632467337 /nfs/dbraw/zinc/46/73/37/632467337.db2.gz ZJMYVDQSIMNLBE-UHFFFAOYSA-N 0 0 294.713 2.896 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CCO)CC1 ZINC000816483944 632468784 /nfs/dbraw/zinc/46/87/84/632468784.db2.gz LCYQLJTTYHNWFY-UHFFFAOYSA-N 0 0 287.762 2.779 20 10 CFCDRN CN(Cc1cc[nH]n1)Cc1ccc2ccccc2c1O ZINC000816508259 632473543 /nfs/dbraw/zinc/47/35/43/632473543.db2.gz HHQSKZMFAAONAM-UHFFFAOYSA-N 0 0 267.332 2.901 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1CO ZINC000816539232 632480998 /nfs/dbraw/zinc/48/09/98/632480998.db2.gz XKKVZTDQUOENFN-UHFFFAOYSA-N 0 0 295.741 2.967 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816557944 632484110 /nfs/dbraw/zinc/48/41/10/632484110.db2.gz HJBITKWRBDGWRO-GFCCVEGCSA-N 0 0 273.735 2.699 20 10 CFCDRN CCOC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816574783 632488137 /nfs/dbraw/zinc/48/81/37/632488137.db2.gz RUEAQLLEEAHKDZ-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646991 632502133 /nfs/dbraw/zinc/50/21/33/632502133.db2.gz LZLNUDMNPGCOBT-SFYZADRCSA-N 0 0 270.716 2.794 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)[N@H+]1C ZINC000816653042 632505191 /nfs/dbraw/zinc/50/51/91/632505191.db2.gz CUVMHSBKWGQIDX-AOOOYVTPSA-N 0 0 286.778 2.709 20 10 CFCDRN CC[C@@H]1C[N@H+](C)CCN1Cc1cccc(Cl)c1[O-] ZINC000816660969 632507376 /nfs/dbraw/zinc/50/73/76/632507376.db2.gz WOIYTRDSDJHZAN-GFCCVEGCSA-N 0 0 268.788 2.572 20 10 CFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[S@](C)=O ZINC000817298460 632599228 /nfs/dbraw/zinc/59/92/28/632599228.db2.gz MBHDPTWPODGKNH-XOBRGWDASA-N 0 0 295.448 2.708 20 10 CFCDRN CCCCCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845997063 632611207 /nfs/dbraw/zinc/61/12/07/632611207.db2.gz XNLQQHQAXZSZHW-UHFFFAOYSA-N 0 0 291.800 2.655 20 10 CFCDRN CCCn1cc(CN(C)c2ccc(OC)cc2)cn1 ZINC000845999621 632611283 /nfs/dbraw/zinc/61/12/83/632611283.db2.gz WQCNWOAAXQOGGB-UHFFFAOYSA-N 0 0 259.353 2.938 20 10 CFCDRN FC1(F)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846015054 632614801 /nfs/dbraw/zinc/61/48/01/632614801.db2.gz UJUOHQRACMRQRX-UHFFFAOYSA-N 0 0 296.361 2.754 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CO1 ZINC000846042634 632622251 /nfs/dbraw/zinc/62/22/51/632622251.db2.gz DVOVNXGXMJWBMD-GXTWGEPZSA-N 0 0 280.387 2.891 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CO1 ZINC000846042637 632622393 /nfs/dbraw/zinc/62/23/93/632622393.db2.gz DVOVNXGXMJWBMD-TZMCWYRMSA-N 0 0 280.387 2.891 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113539 632636154 /nfs/dbraw/zinc/63/61/54/632636154.db2.gz MKKZQSVUZDFDGD-OCAPTIKFSA-N 0 0 277.673 2.882 20 10 CFCDRN C[C@H](NC(=O)[C@@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000817445846 632637316 /nfs/dbraw/zinc/63/73/16/632637316.db2.gz QJSIBIKQGJWSFU-IINYFYTJSA-N 0 0 282.334 2.975 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118160 632639450 /nfs/dbraw/zinc/63/94/50/632639450.db2.gz UUIRADUBADMXDQ-GFCCVEGCSA-N 0 0 257.255 2.762 20 10 CFCDRN COc1cccc([C@H](C)Nc2cnn(C)c2C)c1O ZINC000846161051 632649816 /nfs/dbraw/zinc/64/98/16/632649816.db2.gz ZHAXTQKUAKMLJY-VIFPVBQESA-N 0 0 261.325 2.616 20 10 CFCDRN CCc1nc(CN[C@H](C)c2cccc(OC)c2O)co1 ZINC000846169751 632652845 /nfs/dbraw/zinc/65/28/45/632652845.db2.gz SPJLNSMCMOGWDO-SNVBAGLBSA-N 0 0 276.336 2.802 20 10 CFCDRN COc1cccc([C@H](C)NCc2nn(C)cc2Cl)c1O ZINC000846170069 632652911 /nfs/dbraw/zinc/65/29/11/632652911.db2.gz VTVZBFLNUDZZQU-VIFPVBQESA-N 0 0 295.770 2.639 20 10 CFCDRN CCc1nnc(CN[C@@H](C)c2cccc(OC)c2O)s1 ZINC000846173279 632653589 /nfs/dbraw/zinc/65/35/89/632653589.db2.gz QKEXWFRELDTQDW-VIFPVBQESA-N 0 0 293.392 2.666 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC23CC3)cc1 ZINC000817515973 632654913 /nfs/dbraw/zinc/65/49/13/632654913.db2.gz RMWSUQRSRBBYDI-CQSZACIVSA-N 0 0 258.365 2.511 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846185424 632656864 /nfs/dbraw/zinc/65/68/64/632656864.db2.gz WJYCPFMCEVRAGK-MISXGVKJSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(F)cc(F)c1[O-] ZINC000846190553 632657250 /nfs/dbraw/zinc/65/72/50/632657250.db2.gz REKHGAOINQVYNL-LQVCDDRESA-N 0 0 269.291 2.641 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(Cl)c1[O-] ZINC000846193533 632658571 /nfs/dbraw/zinc/65/85/71/632658571.db2.gz NHGQFOOGJKKLBI-DZGCQCFKSA-N 0 0 299.798 2.628 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000846206429 632659487 /nfs/dbraw/zinc/65/94/87/632659487.db2.gz YRUDVNQITKORTE-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)[C@H]1CC12CC2 ZINC000817597324 632673852 /nfs/dbraw/zinc/67/38/52/632673852.db2.gz VNHOHCSKUGOMSZ-SECBINFHSA-N 0 0 296.164 2.571 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000846295987 632685794 /nfs/dbraw/zinc/68/57/94/632685794.db2.gz DGFYVLZSGBFTIQ-LSDHHAIUSA-N 0 0 258.365 2.711 20 10 CFCDRN CC(C)[C@@H](F)C(=O)NCc1cc(Cl)ccc1O ZINC000846472559 632715617 /nfs/dbraw/zinc/71/56/17/632715617.db2.gz AERMEISBPQMDTP-LLVKDONJSA-N 0 0 259.708 2.656 20 10 CFCDRN COCCC[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472606 632715624 /nfs/dbraw/zinc/71/56/24/632715624.db2.gz BNCIIWLDLLMDNW-JTQLQIEISA-N 0 0 285.771 2.725 20 10 CFCDRN C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCC1=O ZINC000846473114 632715631 /nfs/dbraw/zinc/71/56/31/632715631.db2.gz ISXBHJFDZNBWLU-UWVGGRQHSA-N 0 0 295.766 2.667 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC000817881991 632716894 /nfs/dbraw/zinc/71/68/94/632716894.db2.gz SYTUKONOHQFOHR-HZMBPMFUSA-N 0 0 277.364 2.552 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(N)c1 ZINC000817928526 632739090 /nfs/dbraw/zinc/73/90/90/632739090.db2.gz BSFVPIBSOHBKGC-UHFFFAOYSA-N 0 0 298.386 2.956 20 10 CFCDRN CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)F ZINC000846716763 632780941 /nfs/dbraw/zinc/78/09/41/632780941.db2.gz HIIVGSYLHSOZJQ-VIFPVBQESA-N 0 0 292.713 2.889 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818239309 632818839 /nfs/dbraw/zinc/81/88/39/632818839.db2.gz YIBURGMIIBAECH-AKZRSSKFSA-N 0 0 282.727 2.842 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000818357730 632837182 /nfs/dbraw/zinc/83/71/82/632837182.db2.gz KBRGOHSBFDNLRA-BDODKLCJSA-N 0 0 276.163 2.873 20 10 CFCDRN CC(C)(CC(=O)NCCc1ccc(N)cc1)C(F)(F)F ZINC000818545123 632863167 /nfs/dbraw/zinc/86/31/67/632863167.db2.gz JXXVAVFZAYXHDD-UHFFFAOYSA-N 0 0 288.313 2.906 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccc3c(n2)CCCC3)cc1 ZINC000818544684 632863303 /nfs/dbraw/zinc/86/33/03/632863303.db2.gz HFNQUPQPOBUKJD-UHFFFAOYSA-N 0 0 295.386 2.515 20 10 CFCDRN CCO[C@H](CC(=O)Nc1ccc(N)cc1)C(C)C ZINC000818556220 632865637 /nfs/dbraw/zinc/86/56/37/632865637.db2.gz BLXVNAZBKNAXMQ-CYBMUJFWSA-N 0 0 250.342 2.659 20 10 CFCDRN CN(CC[S@](C)=O)c1ccc(-c2nccs2)cc1 ZINC000846996602 632873779 /nfs/dbraw/zinc/87/37/79/632873779.db2.gz SYVCXOXYFYYTQD-SFHVURJKSA-N 0 0 280.418 2.625 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cc(C)c(C)cc1O)C(=O)[O-] ZINC000818629947 632883777 /nfs/dbraw/zinc/88/37/77/632883777.db2.gz FMVADBKWTXJFLD-UHFFFAOYSA-N 0 0 279.380 2.990 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cc(C)ccc1O)C(=O)[O-] ZINC000818631620 632884980 /nfs/dbraw/zinc/88/49/80/632884980.db2.gz LIEZNNOYEGHQDB-UHFFFAOYSA-N 0 0 265.353 2.681 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCCCO1 ZINC000847301393 632970083 /nfs/dbraw/zinc/97/00/83/632970083.db2.gz AGIGNAZCPPBYGQ-ZFWWWQNUSA-N 0 0 292.379 2.539 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000819163304 632992793 /nfs/dbraw/zinc/99/27/93/632992793.db2.gz JFFOOOIQQRTWPL-WFASDCNBSA-N 0 0 279.380 2.839 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C)c1O ZINC000819399478 633148318 /nfs/dbraw/zinc/14/83/18/633148318.db2.gz VMPRGGJURBAIHQ-DGCLKSJQSA-N 0 0 277.364 2.843 20 10 CFCDRN CCOCC[C@H](O)CNc1ccccc1OCC(C)C ZINC000819416365 633154660 /nfs/dbraw/zinc/15/46/60/633154660.db2.gz OLVFXEQJSFPGTR-AWEZNQCLSA-N 0 0 281.396 2.921 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1CO ZINC000857060503 635920851 /nfs/dbraw/zinc/92/08/51/635920851.db2.gz AMMZXLYXGIMRNT-UWVGGRQHSA-N 0 0 287.762 2.635 20 10 CFCDRN COc1ccc(OC)c([C@@H](O)CSc2nccs2)c1 ZINC000848432001 633258401 /nfs/dbraw/zinc/25/84/01/633258401.db2.gz WSWXIUJPKDXKSL-NSHDSACASA-N 0 0 297.401 2.986 20 10 CFCDRN CCc1cccc(CN[C@@H](C(=O)OC)c2ccccc2)c1O ZINC000848903700 633390497 /nfs/dbraw/zinc/39/04/97/633390497.db2.gz XRNJOLDNAAPBTR-MRXNPFEDSA-N 0 0 299.370 2.959 20 10 CFCDRN CCc1cccc(CN2CCOC[C@@H]2CC(F)F)c1O ZINC000848911146 633396654 /nfs/dbraw/zinc/39/66/54/633396654.db2.gz QMRDUHRLLOVQBD-ZDUSSCGKSA-N 0 0 285.334 2.811 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000848922123 633404002 /nfs/dbraw/zinc/40/40/02/633404002.db2.gz MLLRULAFOKJVKB-UHFFFAOYSA-N 0 0 259.683 2.887 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2cccc(C)c2O)n1 ZINC000848925941 633408274 /nfs/dbraw/zinc/40/82/74/633408274.db2.gz OASUCDYZFRPQCI-SNVBAGLBSA-N 0 0 261.325 2.585 20 10 CFCDRN COCc1csc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000849174029 633580191 /nfs/dbraw/zinc/58/01/91/633580191.db2.gz NNMROZIWDLQJAZ-WTKPLQERSA-N 0 0 285.415 2.726 20 10 CFCDRN Cc1cc(O)c([C@H]2NC3(CCCC3)C(=O)N2C)cc1Cl ZINC000849182013 633580544 /nfs/dbraw/zinc/58/05/44/633580544.db2.gz BQFCVVWLZSKQAR-ZDUSSCGKSA-N 0 0 294.782 2.727 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C2CC2)n1C ZINC000849346946 633624793 /nfs/dbraw/zinc/62/47/93/633624793.db2.gz JHMJEQWFIKCDAP-UHFFFAOYSA-N 0 0 285.395 2.679 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@@H]2CNC(=O)C2)s1 ZINC000849888170 633753422 /nfs/dbraw/zinc/75/34/22/633753422.db2.gz ZJBYVYMIGJMILX-QMMMGPOBSA-N 0 0 270.423 2.669 20 10 CFCDRN CCN1C[C@H](CSc2ncc(Cl)s2)OC1=O ZINC000850002163 633787869 /nfs/dbraw/zinc/78/78/69/633787869.db2.gz VFHCXLQKUBHKJU-ZCFIWIBFSA-N 0 0 278.786 2.729 20 10 CFCDRN Cc1c[nH]c(CNc2ccccc2OCC(F)F)n1 ZINC000850190336 633877715 /nfs/dbraw/zinc/87/77/15/633877715.db2.gz GNCBQPLGWMYVNP-UHFFFAOYSA-N 0 0 267.279 2.974 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000850352125 633950464 /nfs/dbraw/zinc/95/04/64/633950464.db2.gz MJOSBJGRESDQPN-XJKSGUPXSA-N 0 0 297.406 2.674 20 10 CFCDRN C[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000850352123 633950770 /nfs/dbraw/zinc/95/07/70/633950770.db2.gz MJOSBJGRESDQPN-CZUORRHYSA-N 0 0 297.406 2.674 20 10 CFCDRN COc1cccc(O)c1CN[C@@H](C)c1cscn1 ZINC000850359585 633955430 /nfs/dbraw/zinc/95/54/30/633955430.db2.gz LDASBZQLHSFQLM-VIFPVBQESA-N 0 0 264.350 2.708 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000850377790 633965441 /nfs/dbraw/zinc/96/54/41/633965441.db2.gz MBESVAZXHXYUBQ-SUNKGSAMSA-N 0 0 276.336 2.826 20 10 CFCDRN C[C@H]([NH2+]C/C=C\CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509802 634024196 /nfs/dbraw/zinc/02/41/96/634024196.db2.gz SVIRFUVVTYRJKN-KZUAUGPASA-N 0 0 276.163 2.898 20 10 CFCDRN CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000850520339 634028640 /nfs/dbraw/zinc/02/86/40/634028640.db2.gz ADGJUBPGUNQJJE-WCQYABFASA-N 0 0 289.297 2.996 20 10 CFCDRN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850521443 634029083 /nfs/dbraw/zinc/02/90/83/634029083.db2.gz VXUITDHACRGMQD-CPCISQLKSA-N 0 0 293.260 2.745 20 10 CFCDRN CCn1cc(CN[C@H](C)c2cc(Cl)cc(C)c2O)nn1 ZINC000850522171 634029874 /nfs/dbraw/zinc/02/98/74/634029874.db2.gz GHUCSAVQAVYOML-SNVBAGLBSA-N 0 0 294.786 2.816 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536944 634041953 /nfs/dbraw/zinc/04/19/53/634041953.db2.gz PDRUOMATAXXJHZ-PRHODGIISA-N 0 0 286.278 2.996 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545477 634045766 /nfs/dbraw/zinc/04/57/66/634045766.db2.gz OWDMIXSEAFQYFU-JQWIXIFHSA-N 0 0 267.344 2.591 20 10 CFCDRN COc1cc(NCc2c(O)cc(C)cc2Cl)[nH]n1 ZINC000858231389 636160001 /nfs/dbraw/zinc/16/00/01/636160001.db2.gz QWSDFQWIEDJXFY-UHFFFAOYSA-N 0 0 267.716 2.698 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ncccn2)c2c1c(F)ccc2O ZINC000850553150 634051156 /nfs/dbraw/zinc/05/11/56/634051156.db2.gz UWFBNADZWLCWHF-GXSJLCMTSA-N 0 0 273.311 2.659 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2=CCCC2)c1 ZINC000850558518 634052720 /nfs/dbraw/zinc/05/27/20/634052720.db2.gz YVJGYUVZHGCISY-LLVKDONJSA-N 0 0 275.348 2.940 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850571399 634056691 /nfs/dbraw/zinc/05/66/91/634056691.db2.gz QFMLFMAEPXJLFV-QWRGUYRKSA-N 0 0 294.351 2.766 20 10 CFCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000109952585 634344657 /nfs/dbraw/zinc/34/46/57/634344657.db2.gz DMGNLBRDNMQCPK-UHFFFAOYSA-N 0 0 283.327 2.867 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CC2(C)C)cc1 ZINC000853245341 634950168 /nfs/dbraw/zinc/95/01/68/634950168.db2.gz WWVONIPCDOPNJY-CQSZACIVSA-N 0 0 289.423 2.940 20 10 CFCDRN OCc1cc(NCCCSc2nccs2)ncc1F ZINC000853326768 634969830 /nfs/dbraw/zinc/96/98/30/634969830.db2.gz MZXWMDMUKHKXCW-UHFFFAOYSA-N 0 0 299.396 2.764 20 10 CFCDRN Cc1nnc(CN(C)Cc2cc(C)c(C)cc2O)s1 ZINC000853617989 635050212 /nfs/dbraw/zinc/05/02/12/635050212.db2.gz VUEWJGLDVBMQLV-UHFFFAOYSA-N 0 0 277.393 2.801 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3cc(C)nc(C)n3)C2)cc1 ZINC000853759750 635098018 /nfs/dbraw/zinc/09/80/18/635098018.db2.gz ZADXUEFWMFAZNL-AWEZNQCLSA-N 0 0 298.390 2.793 20 10 CFCDRN Cc1cc(CC(=O)OC[C@H](C)O)c(C)n1-c1ccccc1 ZINC000853933539 635169343 /nfs/dbraw/zinc/16/93/43/635169343.db2.gz FTYOFJVZHCLBLT-ZDUSSCGKSA-N 0 0 287.359 2.561 20 10 CFCDRN Cc1cccc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854243974 635270660 /nfs/dbraw/zinc/27/06/60/635270660.db2.gz JWGKARBTEWOSLG-UHFFFAOYSA-N 0 0 265.353 2.633 20 10 CFCDRN CCc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)nc1 ZINC000854271527 635277525 /nfs/dbraw/zinc/27/75/25/635277525.db2.gz KOTVXHVAYSNFDW-UHFFFAOYSA-N 0 0 297.402 2.569 20 10 CFCDRN Cc1cc(CC(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000854295939 635282181 /nfs/dbraw/zinc/28/21/81/635282181.db2.gz QLARASIDLRASMZ-UHFFFAOYSA-N 0 0 268.360 2.869 20 10 CFCDRN CCOC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1 ZINC000854323553 635289872 /nfs/dbraw/zinc/28/98/72/635289872.db2.gz CAZRZEWBELFXHD-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN CSc1ccc(C(=O)N(C)Cc2ccccc2O)o1 ZINC000112393231 635345382 /nfs/dbraw/zinc/34/53/82/635345382.db2.gz UZUNLHCHQNKMLT-UHFFFAOYSA-N 0 0 277.345 2.979 20 10 CFCDRN Cc1cc(C(=O)N2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000854805472 635397625 /nfs/dbraw/zinc/39/76/25/635397625.db2.gz NDRXBMHXYSOMCC-UHFFFAOYSA-N 0 0 284.359 2.832 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC23COC3)cc1 ZINC000854837977 635405094 /nfs/dbraw/zinc/40/50/94/635405094.db2.gz ZTIQIQXVTZISMA-UHFFFAOYSA-N 0 0 296.370 2.709 20 10 CFCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC000855022943 635444197 /nfs/dbraw/zinc/44/41/97/635444197.db2.gz NADCVXAEIXVKLV-YGRLFVJLSA-N 0 0 297.782 2.867 20 10 CFCDRN CCC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231341 635489716 /nfs/dbraw/zinc/48/97/16/635489716.db2.gz LAZBNGACJFHIJZ-ZIAGYGMSSA-N 0 0 290.407 2.826 20 10 CFCDRN O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)C1=CC(=O)CS1 ZINC000855749480 635635753 /nfs/dbraw/zinc/63/57/53/635635753.db2.gz ZGNPNWHPPRCLSL-MJHDQNEOSA-N 0 0 289.356 2.794 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C(C)C)C2CC2)c(O)c1O ZINC000856124984 635732546 /nfs/dbraw/zinc/73/25/46/635732546.db2.gz XORIPIOBWNMMBK-GFCCVEGCSA-N 0 0 263.337 2.571 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2)c1 ZINC000114512429 635835980 /nfs/dbraw/zinc/83/59/80/635835980.db2.gz PALULTJIRMBRNB-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN CCCCS[C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000114541517 635837004 /nfs/dbraw/zinc/83/70/04/635837004.db2.gz CMNIVKFZRZNLIY-NSHDSACASA-N 0 0 297.420 2.939 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2sccc2C)c1 ZINC000114544224 635838496 /nfs/dbraw/zinc/83/84/96/635838496.db2.gz WCBLFKBDFXWFNA-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC(CC3CC3)C2)cc1OC ZINC000856789866 635861935 /nfs/dbraw/zinc/86/19/35/635861935.db2.gz RFNXHKRLPJMTGH-UHFFFAOYSA-N 0 0 292.335 2.848 20 10 CFCDRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000046836248 650223094 /nfs/dbraw/zinc/22/30/94/650223094.db2.gz SNFQMVWQPCNDRV-HNNXBMFYSA-N 0 0 284.315 2.597 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC(C)C2)c1 ZINC000857084160 635927429 /nfs/dbraw/zinc/92/74/29/635927429.db2.gz JQVMDHSDEITNGX-CXQJBGSLSA-N 0 0 277.364 2.876 20 10 CFCDRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)c(O)c1 ZINC000046836247 650222628 /nfs/dbraw/zinc/22/26/28/650222628.db2.gz SNFQMVWQPCNDRV-OAHLLOKOSA-N 0 0 284.315 2.597 20 10 CFCDRN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000857181165 635941550 /nfs/dbraw/zinc/94/15/50/635941550.db2.gz JVTYELUTPQWMPQ-SNVBAGLBSA-N 0 0 286.379 2.584 20 10 CFCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000857547361 635982832 /nfs/dbraw/zinc/98/28/32/635982832.db2.gz AGWFAFFOXQKFII-UHFFFAOYSA-N 0 0 276.723 2.679 20 10 CFCDRN O=C(CCc1ccccn1)NCc1cc(Cl)ccc1O ZINC000857547375 635982915 /nfs/dbraw/zinc/98/29/15/635982915.db2.gz BBEVOTYNUJGEQK-UHFFFAOYSA-N 0 0 290.750 2.690 20 10 CFCDRN Cc1noc(C)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281108 635982945 /nfs/dbraw/zinc/98/29/45/635982945.db2.gz QRRBWGHITJARJE-UHFFFAOYSA-N 0 0 287.363 2.596 20 10 CFCDRN Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000857547616 635983128 /nfs/dbraw/zinc/98/31/28/635983128.db2.gz MQJNSOOATSURRZ-UHFFFAOYSA-N 0 0 276.723 2.679 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)ccc1O ZINC000857548147 635983243 /nfs/dbraw/zinc/98/32/43/635983243.db2.gz FYDSUBZJRYOJKE-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)c1 ZINC000857548384 635983660 /nfs/dbraw/zinc/98/36/60/635983660.db2.gz LAXWKKUPEQYAJA-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)n1C ZINC000115490385 636017217 /nfs/dbraw/zinc/01/72/17/636017217.db2.gz USVZRNHBCVRHNC-UHFFFAOYSA-N 0 0 285.391 2.638 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccnc1 ZINC000115640376 636026679 /nfs/dbraw/zinc/02/66/79/636026679.db2.gz FYQUCGRXGHKVHB-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCCCC(C)C)c1 ZINC000858130905 636135266 /nfs/dbraw/zinc/13/52/66/636135266.db2.gz CPPLNXBIFYWUFW-UHFFFAOYSA-N 0 0 264.369 2.936 20 10 CFCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000158869183 650240228 /nfs/dbraw/zinc/24/02/28/650240228.db2.gz IMEPPDKISAVIMV-UHFFFAOYSA-N 0 0 285.343 2.692 20 10 CFCDRN Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858295963 636179968 /nfs/dbraw/zinc/17/99/68/636179968.db2.gz HPQWAOABLOREAI-XFHMXUHZSA-N 0 0 283.371 2.920 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047577322 650238401 /nfs/dbraw/zinc/23/84/01/650238401.db2.gz NDLUIWKUQGIAIC-ZDUSSCGKSA-N 0 0 275.396 2.885 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C)c1 ZINC000858422504 636232322 /nfs/dbraw/zinc/23/23/22/636232322.db2.gz MDBWJHARQMKDLO-QWHCGFSZSA-N 0 0 276.380 2.936 20 10 CFCDRN Oc1ccc2c(c1CNc1nccnc1F)CCCC2 ZINC000858426318 636233666 /nfs/dbraw/zinc/23/36/66/636233666.db2.gz OTJOFRWGVHECMG-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN COc1cc(N[C@H](C)c2ccccc2O)cnc1OC ZINC000858483121 636266937 /nfs/dbraw/zinc/26/69/37/636266937.db2.gz ZGKHEWDIRJQGBU-SNVBAGLBSA-N 0 0 274.320 2.978 20 10 CFCDRN Oc1cccc2c1[C@H](Nc1cnn(CCF)c1)CC2 ZINC000858491726 636271149 /nfs/dbraw/zinc/27/11/49/636271149.db2.gz BFYMCUCLMPQYKV-GFCCVEGCSA-N 0 0 261.300 2.658 20 10 CFCDRN COc1cccc([C@H](C)Nc2cnn(CCF)c2)c1O ZINC000858493002 636271308 /nfs/dbraw/zinc/27/13/08/636271308.db2.gz YYBAOPJJFDUDPP-JTQLQIEISA-N 0 0 279.315 2.740 20 10 CFCDRN O=C1CCCN1c1ccc(NCc2ccccc2O)nc1 ZINC000158973180 650243707 /nfs/dbraw/zinc/24/37/07/650243707.db2.gz VBHXZQHMTMUPGJ-UHFFFAOYSA-N 0 0 283.331 2.526 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1ccc(F)cc1[O-] ZINC000858563802 636293676 /nfs/dbraw/zinc/29/36/76/636293676.db2.gz WBXVFSSUNLAFRG-CYBMUJFWSA-N 0 0 276.311 2.873 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccnn1 ZINC000858663630 636319623 /nfs/dbraw/zinc/31/96/23/636319623.db2.gz YKTWHGYLWCJKHL-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN CCC(F)(F)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000858801409 636347793 /nfs/dbraw/zinc/34/77/93/636347793.db2.gz FEJYSLRDEIRJNB-UHFFFAOYSA-N 0 0 285.338 2.597 20 10 CFCDRN CCCOC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858900822 636376148 /nfs/dbraw/zinc/37/61/48/636376148.db2.gz YYDIJMPYAMZVDW-UHFFFAOYSA-N 0 0 262.353 2.923 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)OCCF)C2CC2)cc1 ZINC000858914095 636380654 /nfs/dbraw/zinc/38/06/54/636380654.db2.gz RACXJYMIRDDSEK-UHFFFAOYSA-N 0 0 280.343 2.823 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCCC12CC2 ZINC000859014206 636411672 /nfs/dbraw/zinc/41/16/72/636411672.db2.gz YHDYYCHZJGQULM-ZDUSSCGKSA-N 0 0 274.364 2.772 20 10 CFCDRN OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1O ZINC000200640637 636475222 /nfs/dbraw/zinc/47/52/22/636475222.db2.gz GNNRVGDNBATRRW-HNNXBMFYSA-N 0 0 296.370 2.567 20 10 CFCDRN CCCOCCOC(=O)NCc1cc(Cl)ccc1O ZINC000859205656 636501321 /nfs/dbraw/zinc/50/13/21/636501321.db2.gz BNRHYQWVIZEROQ-UHFFFAOYSA-N 0 0 287.743 2.698 20 10 CFCDRN Cc1ccc(F)c(C=C2SC(=S)NC2=O)c1 ZINC000116608784 636509469 /nfs/dbraw/zinc/50/94/69/636509469.db2.gz GYSCHFFGNUZYSE-UITAMQMPSA-N 0 0 253.323 2.623 20 10 CFCDRN Cc1ccc(CO[C@@H](C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000859594036 636616535 /nfs/dbraw/zinc/61/65/35/636616535.db2.gz ODPTYSSUYIKDNZ-AWEZNQCLSA-N 0 0 298.386 2.799 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc[nH]n1 ZINC000048623329 650273596 /nfs/dbraw/zinc/27/35/96/650273596.db2.gz GKNHGMBNZCVWCW-UHFFFAOYSA-N 0 0 287.348 2.526 20 10 CFCDRN COc1cc(CN(C)Cc2cscn2)c(O)cc1C ZINC000159934488 650284664 /nfs/dbraw/zinc/28/46/64/650284664.db2.gz HDJULIYLGVRAQI-UHFFFAOYSA-N 0 0 278.377 2.798 20 10 CFCDRN CCO[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000860242894 636835296 /nfs/dbraw/zinc/83/52/96/636835296.db2.gz VZNZRFRLEIOGBF-NHYWBVRUSA-N 0 0 295.379 2.639 20 10 CFCDRN CCC[C@H](OCC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000860242128 636835371 /nfs/dbraw/zinc/83/53/71/636835371.db2.gz PFBLSUZCEVHWKV-ABAIWWIYSA-N 0 0 295.379 2.783 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCF ZINC000861506255 637201910 /nfs/dbraw/zinc/20/19/10/637201910.db2.gz XQDNBDHZNFNGDF-UHFFFAOYSA-N 0 0 288.322 2.606 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000861639443 637222734 /nfs/dbraw/zinc/22/27/34/637222734.db2.gz CIUVNLLYBQJIKX-CQSZACIVSA-N 0 0 287.407 2.857 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc2cccnc2c1O)C(C)(F)F ZINC000862026229 637265759 /nfs/dbraw/zinc/26/57/59/637265759.db2.gz JBCFKKANBVPUFH-VIFPVBQESA-N 0 0 294.301 2.848 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1(C(F)F)CC1 ZINC000862025229 637265852 /nfs/dbraw/zinc/26/58/52/637265852.db2.gz PIQQBGWBERCKIQ-UHFFFAOYSA-N 0 0 292.285 2.602 20 10 CFCDRN CC1(C)C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027144 637266795 /nfs/dbraw/zinc/26/67/95/637266795.db2.gz KLZBOLUWSGGPCB-LBPRGKRZSA-N 0 0 270.332 2.603 20 10 CFCDRN CCCCC(=O)NCc1ccc2cccnc2c1O ZINC000862028582 637266804 /nfs/dbraw/zinc/26/68/04/637266804.db2.gz DNNOEKXNOTWOBY-UHFFFAOYSA-N 0 0 258.321 2.747 20 10 CFCDRN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027476 637266905 /nfs/dbraw/zinc/26/69/05/637266905.db2.gz UFOWGXQZKBSLHT-KGLIPLIRSA-N 0 0 284.359 2.849 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027475 637267009 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20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(F)cc(F)c1[O-] ZINC000872111725 641642715 /nfs/dbraw/zinc/64/27/15/641642715.db2.gz GCLSMHLZQYRWBE-ZJUUUORDSA-N 0 0 299.317 2.664 20 10 CFCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(F)cc(F)c1[O-] ZINC000872111723 641642926 /nfs/dbraw/zinc/64/29/26/641642926.db2.gz GCLSMHLZQYRWBE-UWVGGRQHSA-N 0 0 299.317 2.664 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)SC)c1 ZINC000124449622 642095392 /nfs/dbraw/zinc/09/53/92/642095392.db2.gz MFOQXDDWIBPZOX-VHSXEESVSA-N 0 0 283.393 2.720 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCC3)cc1F ZINC000873256398 642101751 /nfs/dbraw/zinc/10/17/51/642101751.db2.gz OJWPRLCTKHLUAG-AWEZNQCLSA-N 0 0 291.370 2.634 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1csc(C2CC2)n1 ZINC000194950058 650733547 /nfs/dbraw/zinc/73/35/47/650733547.db2.gz MISZLCSGDVXZMP-UHFFFAOYSA-N 0 0 288.372 2.998 20 10 CFCDRN C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873726696 642289867 /nfs/dbraw/zinc/28/98/67/642289867.db2.gz AZKGIIVQDRQZEI-SNVBAGLBSA-N 0 0 274.324 2.721 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])no1 ZINC000124737994 642308946 /nfs/dbraw/zinc/30/89/46/642308946.db2.gz GITUDZRLGBUAGE-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC000874110707 642339300 /nfs/dbraw/zinc/33/93/00/642339300.db2.gz WFJSKWDNNXVRDV-UHFFFAOYSA-N 0 0 262.313 2.720 20 10 CFCDRN O=C(NC[C@@H]1CC=CCC1)N1Cc2cccc(O)c2C1 ZINC000875162173 642593351 /nfs/dbraw/zinc/59/33/51/642593351.db2.gz OBLUTGSJBXIKLJ-GFCCVEGCSA-N 0 0 272.348 2.774 20 10 CFCDRN O=C(NCC(C1CC1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000875319192 642606913 /nfs/dbraw/zinc/60/69/13/642606913.db2.gz KTAUNDUAFIICGL-UHFFFAOYSA-N 0 0 286.375 2.854 20 10 CFCDRN O=C(N[C@H]1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875394088 642618214 /nfs/dbraw/zinc/61/82/14/642618214.db2.gz COPWQQIBAFRVCL-NSHDSACASA-N 0 0 296.317 2.995 20 10 CFCDRN CC(C)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000875705541 642672190 /nfs/dbraw/zinc/67/21/90/642672190.db2.gz 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DLISMACFCGCSFX-UHFFFAOYSA-N 0 0 287.363 2.527 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](CO)C(C)(C)C ZINC000876789765 643009078 /nfs/dbraw/zinc/00/90/78/643009078.db2.gz IUVZRDVPVRNUBP-LLVKDONJSA-N 0 0 273.323 2.509 20 10 CFCDRN CC(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC1 ZINC000876924927 643066177 /nfs/dbraw/zinc/06/61/77/643066177.db2.gz XMKOPUBTOGKUDV-AWEZNQCLSA-N 0 0 298.377 2.880 20 10 CFCDRN CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877067324 643131079 /nfs/dbraw/zinc/13/10/79/643131079.db2.gz HAJODZUWULZXIS-NSHDSACASA-N 0 0 287.350 2.805 20 10 CFCDRN CSCC1(CC(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877074153 643136368 /nfs/dbraw/zinc/13/63/68/643136368.db2.gz AGSIPHSLFCLZKB-UHFFFAOYSA-N 0 0 264.394 2.765 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)ccc(F)c1F ZINC000877083567 643142426 /nfs/dbraw/zinc/14/24/26/643142426.db2.gz AEZUXIWRXAKMKW-RAIGVLPGSA-N 0 0 283.318 2.718 20 10 CFCDRN C[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126346770 643154416 /nfs/dbraw/zinc/15/44/16/643154416.db2.gz VKBPLVAFCNIYFO-QWRGUYRKSA-N 0 0 263.337 2.654 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCO1 ZINC000877123057 643162983 /nfs/dbraw/zinc/16/29/83/643162983.db2.gz FIIIAKBPHWJTJE-RYUDHWBXSA-N 0 0 271.307 2.718 20 10 CFCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000877139693 643174310 /nfs/dbraw/zinc/17/43/10/643174310.db2.gz WSVKKCCUQDFDMR-AAEUAGOBSA-N 0 0 299.361 2.899 20 10 CFCDRN Cc1cccc(N(C)C(=O)c2cccc(O)c2O)c1 ZINC000126370717 643183040 /nfs/dbraw/zinc/18/30/40/643183040.db2.gz RLYPVHSNMPWEHQ-UHFFFAOYSA-N 0 0 257.289 2.683 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)c2cccc(O)c2O)c1 ZINC000126369740 643183051 /nfs/dbraw/zinc/18/30/51/643183051.db2.gz XQZNJPTYTUJFBD-UHFFFAOYSA-N 0 0 271.316 2.991 20 10 CFCDRN COc1cc(N(C)CCC[C@H]2CCO2)cc(OC)c1OC ZINC000877179664 643191203 /nfs/dbraw/zinc/19/12/03/643191203.db2.gz FXZDYYZIEKDSPU-ZDUSSCGKSA-N 0 0 295.379 2.718 20 10 CFCDRN Cc1nocc1NC(=O)NCCCSc1nccs1 ZINC000888741973 643217776 /nfs/dbraw/zinc/21/77/76/643217776.db2.gz XBTYUNCKNXKGPQ-UHFFFAOYSA-N 0 0 298.393 2.743 20 10 CFCDRN COc1ncc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000877341932 643242850 /nfs/dbraw/zinc/24/28/50/643242850.db2.gz HFHWNJOFWLGGML-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cn1 ZINC000126489655 643252172 /nfs/dbraw/zinc/25/21/72/643252172.db2.gz JXYQRHZNMBRPRQ-UHFFFAOYSA-N 0 0 276.723 2.713 20 10 CFCDRN O=C(CC1CCSCC1)NCc1ccccc1O ZINC000126498235 643255464 /nfs/dbraw/zinc/25/54/64/643255464.db2.gz DQAUHKSRQHOOHI-UHFFFAOYSA-N 0 0 265.378 2.542 20 10 CFCDRN COC(=O)[C@H](NCc1ccc(C)cc1O)c1cccs1 ZINC000877471729 643291192 /nfs/dbraw/zinc/29/11/92/643291192.db2.gz YEEQXZXYLSWFMR-CQSZACIVSA-N 0 0 291.372 2.766 20 10 CFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC000877516800 643322224 /nfs/dbraw/zinc/32/22/24/643322224.db2.gz IJTXFJBRPOVUOI-YIBHEWFUSA-N 0 0 295.329 2.526 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H](O)c2ccccc2)ccc(F)c1F ZINC000877527766 643330652 /nfs/dbraw/zinc/33/06/52/643330652.db2.gz RAYNVGUFFPCKEM-CQSZACIVSA-N 0 0 293.313 2.884 20 10 CFCDRN Cc1ccc(CNc2cn(C)nc2C2CC2)c(O)c1 ZINC000877541460 643343896 /nfs/dbraw/zinc/34/38/96/643343896.db2.gz JHPKAGILHIPQKC-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN COCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC1 ZINC000877574586 643372509 /nfs/dbraw/zinc/37/25/09/643372509.db2.gz NZVLLQAHFCHZGF-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605838 643392993 /nfs/dbraw/zinc/39/29/93/643392993.db2.gz KBOHJMTXSNQSRJ-KOLCDFICSA-N 0 0 273.323 2.557 20 10 CFCDRN COc1ccc(N(C)CCN(C)Cc2ccns2)cc1 ZINC000877610484 643397282 /nfs/dbraw/zinc/39/72/82/643397282.db2.gz PSGHRBPGWIBFIQ-UHFFFAOYSA-N 0 0 291.420 2.720 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877611337 643398641 /nfs/dbraw/zinc/39/86/41/643398641.db2.gz PCIQSMYITFXBHV-JOYOIKCWSA-N 0 0 273.323 2.557 20 10 CFCDRN COCCCn1cc(C)c(NCc2c(C)cccc2O)n1 ZINC000877620112 643406561 /nfs/dbraw/zinc/40/65/61/643406561.db2.gz PPCFZSOFOOJBHW-UHFFFAOYSA-N 0 0 289.379 2.854 20 10 CFCDRN Cc1cccc(O)c1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000877626448 643411199 /nfs/dbraw/zinc/41/11/99/643411199.db2.gz VFTFNLJYBIMYPR-IYBDPMFKSA-N 0 0 261.365 2.559 20 10 CFCDRN Cn1ncc2c1CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000877632474 643416713 /nfs/dbraw/zinc/41/67/13/643416713.db2.gz AGVCVAGKGZYOHR-UHFFFAOYSA-N 0 0 296.418 2.926 20 10 CFCDRN Cc1ccc(CN2CCO[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639256 643424503 /nfs/dbraw/zinc/42/45/03/643424503.db2.gz DRECYSVPCNSJKX-LBPRGKRZSA-N 0 0 289.297 2.854 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCN2C2CCCC2)ccc(F)c1F ZINC000877657197 643436990 /nfs/dbraw/zinc/43/69/90/643436990.db2.gz XQBJEBDUJCKULL-CYBMUJFWSA-N 0 0 296.361 2.777 20 10 CFCDRN CCC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877667877 643444176 /nfs/dbraw/zinc/44/41/76/643444176.db2.gz RRFNVBJWEGXWPU-JTQLQIEISA-N 0 0 275.751 2.825 20 10 CFCDRN CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000877673784 643447304 /nfs/dbraw/zinc/44/73/04/643447304.db2.gz IKXWARFYKGTNDI-ZDUSSCGKSA-N 0 0 296.798 2.536 20 10 CFCDRN COc1ccsc1CN1Cc2cccc(O)c2C1 ZINC000877702524 643467746 /nfs/dbraw/zinc/46/77/46/643467746.db2.gz AEKXBJDWJYPDIC-UHFFFAOYSA-N 0 0 261.346 2.978 20 10 CFCDRN Oc1cccc2c1CN(Cc1nc3c(s1)CCC3)C2 ZINC000877703126 643468378 /nfs/dbraw/zinc/46/83/78/643468378.db2.gz SGEIOLORHQLXRU-UHFFFAOYSA-N 0 0 272.373 2.853 20 10 CFCDRN COc1cncc(CN2Cc3cccc(O)c3C2)c1C ZINC000877703242 643468856 /nfs/dbraw/zinc/46/88/56/643468856.db2.gz XYLRREMWRZDULB-UHFFFAOYSA-N 0 0 270.332 2.620 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)ccc(F)c1F ZINC000877703427 643469028 /nfs/dbraw/zinc/46/90/28/643469028.db2.gz IRWHYAYQDLWWDA-HTRCEHHLSA-N 0 0 267.197 2.711 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]21 ZINC000877739088 643504363 /nfs/dbraw/zinc/50/43/63/643504363.db2.gz FGDORQGFQASNKC-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H](O)C2CCCC2)ccc(F)c1F ZINC000877779477 643555592 /nfs/dbraw/zinc/55/55/92/643555592.db2.gz WPUKOQXEFZRZDW-ZDUSSCGKSA-N 0 0 285.334 2.701 20 10 CFCDRN CCOC(=O)[C@@H](C)C1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000877831375 643597498 /nfs/dbraw/zinc/59/74/98/643597498.db2.gz XJIKWFHURMOZNO-JTQLQIEISA-N 0 0 297.782 2.677 20 10 CFCDRN O=C1N[C@@H](c2cc(F)ccc2O)Nc2cc(F)c(F)cc21 ZINC000877859716 643609551 /nfs/dbraw/zinc/60/95/51/643609551.db2.gz UOBMCMFRCMATET-ZDUSSCGKSA-N 0 0 294.232 2.664 20 10 CFCDRN O=C1N[C@@H](c2cccc(F)c2O)Nc2cc(F)c(F)cc21 ZINC000877859968 643609729 /nfs/dbraw/zinc/60/97/29/643609729.db2.gz WKDOZRCZLYPADE-ZDUSSCGKSA-N 0 0 294.232 2.664 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@H](OC)C2)cc1OC ZINC000877994968 643685404 /nfs/dbraw/zinc/68/54/04/643685404.db2.gz AXHGNZDUNANCLX-BJHJDKERSA-N 0 0 265.353 2.565 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)CC(C)C)c1 ZINC000126878906 643710258 /nfs/dbraw/zinc/71/02/58/643710258.db2.gz VCPGAVSLQUCBTI-NSHDSACASA-N 0 0 280.368 2.635 20 10 CFCDRN COc1cc(N(C)C[C@@H]2CCO[C@@H]2C)cc(OC)c1OC ZINC000878128542 643751207 /nfs/dbraw/zinc/75/12/07/643751207.db2.gz FRFRDYKZILAXQO-NEPJUHHUSA-N 0 0 295.379 2.574 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@H]2C)cc1F ZINC000878185659 643783616 /nfs/dbraw/zinc/78/36/16/643783616.db2.gz BYJKPHULDUQALG-WDEREUQCSA-N 0 0 253.317 2.696 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CC=CC1 ZINC000127140047 643908852 /nfs/dbraw/zinc/90/88/52/643908852.db2.gz KMRBZRANOLORAZ-UHFFFAOYSA-N 0 0 273.380 2.579 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000246638281 650877828 /nfs/dbraw/zinc/87/78/28/650877828.db2.gz ZXNXGVZCRPUPKY-HERUPUMHSA-N 0 0 275.348 2.624 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@H]2c2ncccn2)cc1 ZINC000878977413 644096709 /nfs/dbraw/zinc/09/67/09/644096709.db2.gz LEFXWJBWXOYPRF-INIZCTEOSA-N 0 0 282.391 2.880 20 10 CFCDRN CCc1nn(C)cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000879101867 644143790 /nfs/dbraw/zinc/14/37/90/644143790.db2.gz HGGCPHBKYVJCRJ-JTQLQIEISA-N 0 0 288.351 2.571 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)OCC(F)(F)F)c1O ZINC000879513275 644298432 /nfs/dbraw/zinc/29/84/32/644298432.db2.gz HVFGWPLXGCEFRV-UHFFFAOYSA-N 0 0 295.232 2.660 20 10 CFCDRN CCCC[C@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000879648670 644363213 /nfs/dbraw/zinc/36/32/13/644363213.db2.gz YRBIYCKTSMOBMB-YPMHNXCESA-N 0 0 265.353 2.775 20 10 CFCDRN C[C@H](NCc1noc(C2CCC2)n1)c1ccccc1O ZINC000879650103 644363541 /nfs/dbraw/zinc/36/35/41/644363541.db2.gz ITAFKDYAPIZJIV-JTQLQIEISA-N 0 0 273.336 2.894 20 10 CFCDRN CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879651386 644364734 /nfs/dbraw/zinc/36/47/34/644364734.db2.gz SYFDEQLPEPYWNY-QWRGUYRKSA-N 0 0 291.351 2.724 20 10 CFCDRN FC(F)CN(Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000093276541 650936706 /nfs/dbraw/zinc/93/67/06/650936706.db2.gz UMMFNCZEOZDIPY-UHFFFAOYSA-N 0 0 296.361 2.753 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1CC1 ZINC000880864951 644852945 /nfs/dbraw/zinc/85/29/45/644852945.db2.gz BIWRFUOJVWGKOP-UHFFFAOYSA-N 0 0 290.407 2.669 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1C ZINC000249372838 650958716 /nfs/dbraw/zinc/95/87/16/650958716.db2.gz XGRQYSNGAIQJGE-JFGNBEQYSA-N 0 0 263.337 2.652 20 10 CFCDRN CCc1ccc(NC(=O)NCc2cc(C)ccc2O)nc1 ZINC000881199516 644923181 /nfs/dbraw/zinc/92/31/81/644923181.db2.gz WZHIZMDBGDXZAV-UHFFFAOYSA-N 0 0 285.347 2.980 20 10 CFCDRN COc1ccc(N(C)Cc2cnoc2C)cc1F ZINC000128893763 644938298 /nfs/dbraw/zinc/93/82/98/644938298.db2.gz KFSZINBHDHSUJV-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN CN(C)c1ccc(Cn2cc(C(C)(C)C)nn2)cc1 ZINC000881272331 644940290 /nfs/dbraw/zinc/94/02/90/644940290.db2.gz SXFLIWBLLFTZRW-UHFFFAOYSA-N 0 0 258.369 2.690 20 10 CFCDRN CN(C)c1ccc(Cn2cc([C@H]3CCCC(=O)C3)nn2)cc1 ZINC000881271095 644940523 /nfs/dbraw/zinc/94/05/23/644940523.db2.gz GWHCGWKLZUQPNF-AWEZNQCLSA-N 0 0 298.390 2.619 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C(F)F ZINC000881282957 644942708 /nfs/dbraw/zinc/94/27/08/644942708.db2.gz OBMIBPYDGWHKSN-JTQLQIEISA-N 0 0 285.338 2.514 20 10 CFCDRN O=C(NCCC[C@H]1C=CCC1)c1c(F)ccc(O)c1O ZINC000881457847 644978727 /nfs/dbraw/zinc/97/87/27/644978727.db2.gz QPXGEIWDKOQYPV-JTQLQIEISA-N 0 0 279.311 2.713 20 10 CFCDRN OCc1ccnc(NCCCSc2nccs2)c1 ZINC000881982182 645168384 /nfs/dbraw/zinc/16/83/84/645168384.db2.gz UFIRIBJNWZKFOO-UHFFFAOYSA-N 0 0 281.406 2.625 20 10 CFCDRN COC(=O)c1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000881988076 645169039 /nfs/dbraw/zinc/16/90/39/645169039.db2.gz OLFWAYDPGPSHDQ-UHFFFAOYSA-N 0 0 299.374 2.855 20 10 CFCDRN CN(Cc1ccccc1O)c1cc(C2CC2)ncn1 ZINC000882138337 645217366 /nfs/dbraw/zinc/21/73/66/645217366.db2.gz GPNVNHXSZBXZLY-UHFFFAOYSA-N 0 0 255.321 2.696 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC/C=C\c1ccccc1 ZINC000212112080 645227178 /nfs/dbraw/zinc/22/71/78/645227178.db2.gz LLQPRRPYPKDECU-RGSRAZRCSA-N 0 0 295.338 2.941 20 10 CFCDRN Cc1ccc(F)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000097002237 651009930 /nfs/dbraw/zinc/00/99/30/651009930.db2.gz REKABYCAOYJZLS-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN O=S(=O)(CCC1CCCC1)Nc1ccc(O)cc1F ZINC000882712955 645425826 /nfs/dbraw/zinc/42/58/26/645425826.db2.gz UWFGKNAVZYIYIO-UHFFFAOYSA-N 0 0 287.356 2.853 20 10 CFCDRN CC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCCC1 ZINC000882887958 645493191 /nfs/dbraw/zinc/49/31/91/645493191.db2.gz KRPBGTRISBMDDC-CYBMUJFWSA-N 0 0 284.350 2.634 20 10 CFCDRN CC(C)c1c[nH]c(CNCc2ccc3c(c2)CCO3)n1 ZINC000882954832 645526651 /nfs/dbraw/zinc/52/66/51/645526651.db2.gz WXNXBPGKAIFMMS-UHFFFAOYSA-N 0 0 271.364 2.758 20 10 CFCDRN CCCC[C@H](COC)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883014011 645562461 /nfs/dbraw/zinc/56/24/61/645562461.db2.gz GGRUQKCHZULKOF-GFCCVEGCSA-N 0 0 273.323 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000883016744 645564132 /nfs/dbraw/zinc/56/41/32/645564132.db2.gz KJSPVXYIAJZELH-OAHLLOKOSA-N 0 0 293.313 2.884 20 10 CFCDRN CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883017177 645564215 /nfs/dbraw/zinc/56/42/15/645564215.db2.gz ZPMAOPPLNMTAGF-HNNXBMFYSA-N 0 0 287.350 2.947 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000883050897 645583760 /nfs/dbraw/zinc/58/37/60/645583760.db2.gz FOSLEYCIEHPOKR-UHFFFAOYSA-N 0 0 291.297 2.990 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000883157887 645631722 /nfs/dbraw/zinc/63/17/22/645631722.db2.gz NNQQHSVRROBYQV-OAHLLOKOSA-N 0 0 297.345 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000883200307 645659544 /nfs/dbraw/zinc/65/95/44/645659544.db2.gz FZBLCRXFSIWNSC-CQSZACIVSA-N 0 0 285.334 2.701 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2C=CCC2)cc1F ZINC000883241294 645689595 /nfs/dbraw/zinc/68/95/95/645689595.db2.gz SPSLISKDVXFXQS-LBPRGKRZSA-N 0 0 291.370 2.657 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883245450 645693578 /nfs/dbraw/zinc/69/35/78/645693578.db2.gz LWRXTGKEOKSKTP-GHMZBOCLSA-N 0 0 262.309 2.917 20 10 CFCDRN CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC(F)(F)C1 ZINC000883250404 645698154 /nfs/dbraw/zinc/69/81/54/645698154.db2.gz VABLSPHNKCLERV-UHFFFAOYSA-N 0 0 286.278 2.825 20 10 CFCDRN COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC000253116216 651037784 /nfs/dbraw/zinc/03/77/84/651037784.db2.gz FZAIJJDNFPXWNG-CTYIDZIISA-N 0 0 291.391 2.984 20 10 CFCDRN CCOc1cccc(CNC2(c3ncccn3)CCC2)c1O ZINC000883308467 645731271 /nfs/dbraw/zinc/73/12/71/645731271.db2.gz QAHWSGJHBGUQIS-UHFFFAOYSA-N 0 0 299.374 2.750 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1ccc(F)cc1[O-] ZINC000883355184 645760104 /nfs/dbraw/zinc/76/01/04/645760104.db2.gz LBQRCIPUGKXQOZ-GXTWGEPZSA-N 0 0 266.360 2.666 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000883509184 645865255 /nfs/dbraw/zinc/86/52/55/645865255.db2.gz OVZQFVODDLKQHK-RZDIXWSQSA-N 0 0 298.361 2.955 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCC2=CCCC2)c1 ZINC000132718273 645954532 /nfs/dbraw/zinc/95/45/32/645954532.db2.gz GRNBQORTHSHVEQ-UHFFFAOYSA-N 0 0 290.363 2.700 20 10 CFCDRN C=C/C=C/CCNC(=O)NCc1cc(C)ccc1O ZINC000883830281 645993352 /nfs/dbraw/zinc/99/33/52/645993352.db2.gz HLAIJNRPSJOBPC-SNAWJCMRSA-N 0 0 260.337 2.632 20 10 CFCDRN CCCN(Cc1cc2c(cc1O)OCO2)CC(F)F ZINC000133119228 646032536 /nfs/dbraw/zinc/03/25/36/646032536.db2.gz MZNURKHXEDMBHM-UHFFFAOYSA-N 0 0 273.279 2.598 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(F)ccc1F ZINC000133773713 646226030 /nfs/dbraw/zinc/22/60/30/646226030.db2.gz YSXGXBOFTNRZHH-UHFFFAOYSA-N 0 0 263.243 2.600 20 10 CFCDRN COc1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC000133796838 646229600 /nfs/dbraw/zinc/22/96/00/646229600.db2.gz DMDMYVDWRDBPRX-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(F)c(F)c(F)c1 ZINC000133944676 646255992 /nfs/dbraw/zinc/25/59/92/646255992.db2.gz MHHKMKDGYROUNT-UHFFFAOYSA-N 0 0 281.233 2.740 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(F)n1 ZINC000134320538 646325844 /nfs/dbraw/zinc/32/58/44/646325844.db2.gz TUIKJCQSIQXZDV-UHFFFAOYSA-N 0 0 275.283 2.590 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2ncc(C)o2)cc1 ZINC000884544912 646438114 /nfs/dbraw/zinc/43/81/14/646438114.db2.gz TUIPOGQHHYOUBY-UHFFFAOYSA-N 0 0 275.352 2.564 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1OC ZINC000885965854 646787707 /nfs/dbraw/zinc/78/77/07/646787707.db2.gz WPIKPVUNJSVOII-LRDDRELGSA-N 0 0 277.364 2.567 20 10 CFCDRN COc1cccc(CNc2cccc(-n3ccnn3)c2)c1O ZINC000136840854 646869200 /nfs/dbraw/zinc/86/92/00/646869200.db2.gz HAYKTEUXUSSUPX-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCC=CCC2)c1 ZINC000886376606 646992336 /nfs/dbraw/zinc/99/23/36/646992336.db2.gz KCUVNNUHOGZVGV-UHFFFAOYSA-N 0 0 262.309 2.889 20 10 CFCDRN CCN(CC)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489524 647017055 /nfs/dbraw/zinc/01/70/55/647017055.db2.gz KWOCUMNNMYTTLO-LLVKDONJSA-N 0 0 254.349 2.524 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1c([O-])cccc1F ZINC000886498539 647020463 /nfs/dbraw/zinc/02/04/63/647020463.db2.gz FYWXKGYVWGWDSW-CABZTGNLSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCOC1)c1c([O-])cccc1F ZINC000886508616 647023260 /nfs/dbraw/zinc/02/32/60/647023260.db2.gz HMUAFCOGVWSBCQ-WDEREUQCSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1c([O-])cccc1F ZINC000886506421 647023326 /nfs/dbraw/zinc/02/33/26/647023326.db2.gz RPWCTGOGRIETLD-GFCCVEGCSA-N 0 0 294.370 2.585 20 10 CFCDRN C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1c([O-])cccc1F ZINC000886506260 647023378 /nfs/dbraw/zinc/02/33/78/647023378.db2.gz JCZKAFIYAANKLR-LLVKDONJSA-N 0 0 295.354 2.868 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886511524 647024126 /nfs/dbraw/zinc/02/41/26/647024126.db2.gz WGMJUIKLFIDKKN-WDEREUQCSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886511521 647024280 /nfs/dbraw/zinc/02/42/80/647024280.db2.gz WGMJUIKLFIDKKN-GHMZBOCLSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886519432 647026635 /nfs/dbraw/zinc/02/66/35/647026635.db2.gz VDRPAFFXIWHLLZ-GHMZBOCLSA-N 0 0 255.333 2.589 20 10 CFCDRN CCc1cc(CN[C@@H](C)c2c(O)cccc2F)on1 ZINC000886529937 647031271 /nfs/dbraw/zinc/03/12/71/647031271.db2.gz AJAXSZUMXDZBCS-VIFPVBQESA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1c([O-])cccc1F ZINC000886540493 647037861 /nfs/dbraw/zinc/03/78/61/647037861.db2.gz FXEZIMQZTWMEQQ-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886551142 647043524 /nfs/dbraw/zinc/04/35/24/647043524.db2.gz CCJBJXJWXIZZMB-ONGXEEELSA-N 0 0 277.343 2.845 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886549424 647043847 /nfs/dbraw/zinc/04/38/47/647043847.db2.gz HVBDGFVTMBEYHF-GHMZBOCLSA-N 0 0 294.370 2.581 20 10 CFCDRN C[C@@H]([NH2+]CCOc1ncccc1F)c1c([O-])cccc1F ZINC000886553576 647045674 /nfs/dbraw/zinc/04/56/74/647045674.db2.gz QDNBAKFJWCKMLK-SNVBAGLBSA-N 0 0 294.301 2.795 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886561927 647047813 /nfs/dbraw/zinc/04/78/13/647047813.db2.gz MPXIITVEWLUPOX-RYUDHWBXSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CCC1)c1c([O-])cccc1F ZINC000886589773 647057666 /nfs/dbraw/zinc/05/76/66/647057666.db2.gz FJAXVJJWQKLNHX-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886617493 647070391 /nfs/dbraw/zinc/07/03/91/647070391.db2.gz POTYDFKRZRNEKK-UWVGGRQHSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886617495 647070702 /nfs/dbraw/zinc/07/07/02/647070702.db2.gz POTYDFKRZRNEKK-ZJUUUORDSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1c([O-])cccc1F ZINC000886620560 647072422 /nfs/dbraw/zinc/07/24/22/647072422.db2.gz MZAWGFYBPDQMEB-WDEREUQCSA-N 0 0 277.343 2.547 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1c([O-])cccc1F ZINC000886626715 647074984 /nfs/dbraw/zinc/07/49/84/647074984.db2.gz JKNFIZMQNFNVNE-SDDRHHMPSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886629351 647077352 /nfs/dbraw/zinc/07/73/52/647077352.db2.gz BPTXSQAOTOJXSA-SRVKXCTJSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1c([O-])cccc1F ZINC000886642867 647084222 /nfs/dbraw/zinc/08/42/22/647084222.db2.gz CONCOGSLBQJURV-DRCTWCGVSA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC1(C)OCCO1 ZINC000886644425 647084860 /nfs/dbraw/zinc/08/48/60/647084860.db2.gz CQPKINVEJKWTJX-NEPJUHHUSA-N 0 0 297.370 2.971 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c([O-])cccc1F ZINC000886644788 647085637 /nfs/dbraw/zinc/08/56/37/647085637.db2.gz KRCSMVHSLKBVTK-SVDPJWKOSA-N 0 0 253.317 2.748 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1c([O-])cccc1F ZINC000886648080 647087085 /nfs/dbraw/zinc/08/70/85/647087085.db2.gz LDEAZTBRSLVWMN-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN Cc1ccc([C@@H](C)N[C@@H](CCO)C(F)(F)F)c(O)c1C ZINC000886802065 647144910 /nfs/dbraw/zinc/14/49/10/647144910.db2.gz YELKLTIGEKVGLZ-PWSUYJOCSA-N 0 0 291.313 2.973 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])NCC1CC1 ZINC000887359570 647281627 /nfs/dbraw/zinc/28/16/27/647281627.db2.gz ZECVBVDVVIJZIQ-UHFFFAOYSA-N 0 0 288.178 2.723 20 10 CFCDRN CC1(C)CC[C@@H](CCNC(=O)C2=CC(=O)CS2)OC1 ZINC000887414739 647308951 /nfs/dbraw/zinc/30/89/51/647308951.db2.gz QMAAPSRJKXELBA-NSHDSACASA-N 0 0 283.393 2.779 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000924409786 647974782 /nfs/dbraw/zinc/97/47/82/647974782.db2.gz KFQSFNFTTONGOO-GZBFAFLISA-N 0 0 288.391 2.936 20 10 CFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000927228553 648741760 /nfs/dbraw/zinc/74/17/60/648741760.db2.gz PUWSVSDTUPILMP-ZJUUUORDSA-N 0 0 298.383 2.615 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCS[C@H](C)C2)c1 ZINC000927231517 648742362 /nfs/dbraw/zinc/74/23/62/648742362.db2.gz IUKGPLZYAZIBJH-YPMHNXCESA-N 0 0 294.420 2.784 20 10 CFCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCS1 ZINC000927253862 648745624 /nfs/dbraw/zinc/74/56/24/648745624.db2.gz QWGQCQYFOJKYQP-YPMHNXCESA-N 0 0 294.420 2.818 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927315606 648754626 /nfs/dbraw/zinc/75/46/26/648754626.db2.gz XOLGNFFKUVJRJG-ACJLOTCBSA-N 0 0 295.338 2.512 20 10 CFCDRN CC[C@H]1C[C@H](CC(=O)NCc2c(O)cccc2F)CCO1 ZINC000928707744 648945493 /nfs/dbraw/zinc/94/54/93/648945493.db2.gz HODAEDYFMYSEEE-NEPJUHHUSA-N 0 0 295.354 2.743 20 10 CFCDRN CC1(C)CC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928708425 648946128 /nfs/dbraw/zinc/94/61/28/648946128.db2.gz LTRRHPSNHCLUGB-JTQLQIEISA-N 0 0 265.328 2.974 20 10 CFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccncc1 ZINC000928712984 648946523 /nfs/dbraw/zinc/94/65/23/648946523.db2.gz ZEWYWWICJBIJGF-NSHDSACASA-N 0 0 288.322 2.736 20 10 CFCDRN COc1ccc(N(C)CCc2ccns2)cc1OC ZINC000929347365 649036533 /nfs/dbraw/zinc/03/65/33/649036533.db2.gz HVWVCWCZDTXZIF-UHFFFAOYSA-N 0 0 278.377 2.839 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 ZINC000929913460 649149065 /nfs/dbraw/zinc/14/90/65/649149065.db2.gz MGAYHUJASJUDIX-JQFCIGGWSA-N 0 0 291.391 2.716 20 10 CFCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1cccc(C)c1 ZINC000930061447 649176418 /nfs/dbraw/zinc/17/64/18/649176418.db2.gz NVWYJHFQOCHUNU-CMDGGOBGSA-N 0 0 269.348 2.795 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(CCF)c2)c(OC)c1 ZINC000930081528 649180351 /nfs/dbraw/zinc/18/03/51/649180351.db2.gz MPTMWSBVYGWIIS-UHFFFAOYSA-N 0 0 293.342 2.506 20 10 CFCDRN Cn1nc(NC(=O)N2Cc3cccc(O)c3C2)cc1C1CC1 ZINC000931485718 649439480 /nfs/dbraw/zinc/43/94/80/649439480.db2.gz BUEZMTDIKHSLBX-UHFFFAOYSA-N 0 0 298.346 2.551 20 10 CFCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000932014846 649524704 /nfs/dbraw/zinc/52/47/04/649524704.db2.gz ZTSCMPPFDFGKIC-SBDDDAINSA-N 0 0 281.359 2.659 20 10 CFCDRN Cc1ccnc(F)c1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001243550616 782273904 /nfs/dbraw/zinc/27/39/04/782273904.db2.gz QFTJNJRLVFPUEL-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN Cc1cc(Br)c(O)c(CN2CCCCO2)c1 ZINC001236664998 778906363 /nfs/dbraw/zinc/90/63/63/778906363.db2.gz ZSCBDPXPXSGIIT-UHFFFAOYSA-N 0 0 286.169 2.991 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800520 779719195 /nfs/dbraw/zinc/71/91/95/779719195.db2.gz AAPBTPIJDFTQSE-NSHDSACASA-N 0 0 273.735 2.796 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCOCCF ZINC000702632977 780939429 /nfs/dbraw/zinc/93/94/29/780939429.db2.gz NDRMXVAYUYDZOW-UHFFFAOYSA-N 0 0 282.142 2.775 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000692961305 769911615 /nfs/dbraw/zinc/91/16/15/769911615.db2.gz AYBQKKKGFLKUHZ-OAHLLOKOSA-N 0 0 272.392 2.850 20 10 CFCDRN Oc1cc(F)ccc1Nc1ccnc2cccnc21 ZINC001210016420 770189786 /nfs/dbraw/zinc/18/97/86/770189786.db2.gz LKTHKDCYCFXJLJ-UHFFFAOYSA-N 0 0 255.252 2.640 20 10 CFCDRN CO[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001167293911 770227157 /nfs/dbraw/zinc/22/71/57/770227157.db2.gz UHKQGEJHZIMIQJ-MRXNPFEDSA-N 0 0 285.343 2.705 20 10 CFCDRN c1snnc1CNCc1ccc(N2CCCCC2)cc1 ZINC000398402597 770531093 /nfs/dbraw/zinc/53/10/93/770531093.db2.gz XFTSXZQHKGLBEV-UHFFFAOYSA-N 0 0 288.420 2.818 20 10 CFCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(O)c1 ZINC000588403285 770531235 /nfs/dbraw/zinc/53/12/35/770531235.db2.gz DPJANDNSRCTOOC-DAXSKMNVSA-N 0 0 285.299 2.764 20 10 CFCDRN COCc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403523 770532401 /nfs/dbraw/zinc/53/24/01/770532401.db2.gz NYLHKESHIXXWIS-CLFYSBASSA-N 0 0 299.326 2.896 20 10 CFCDRN Cc1cccc2c1CCN2C(=O)/C=C\c1cncc(O)c1 ZINC000588408886 770550963 /nfs/dbraw/zinc/55/09/63/770550963.db2.gz SUGPJRIZHMNSIH-WAYWQWQTSA-N 0 0 280.327 2.698 20 10 CFCDRN Cc1cccnc1/C=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000588451589 770735007 /nfs/dbraw/zinc/73/50/07/770735007.db2.gz WNPTXZMVCZQKDK-KHPPLWFESA-N 0 0 295.386 2.786 20 10 CFCDRN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000690726502 770779706 /nfs/dbraw/zinc/77/97/06/770779706.db2.gz KNBAXTCBQSJGFD-UFBFGSQYSA-N 0 0 275.270 2.606 20 10 CFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[C@@H]1F ZINC001143445368 770929971 /nfs/dbraw/zinc/92/99/71/770929971.db2.gz HLRAIUPTASHKRA-ONGXEEELSA-N 0 0 294.713 2.568 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582509 770960408 /nfs/dbraw/zinc/96/04/08/770960408.db2.gz JMKLZTITJKSPJM-ZUZCIYMTSA-N 0 0 285.334 2.653 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1c[nH]cn1 ZINC000146751118 775345919 /nfs/dbraw/zinc/34/59/19/775345919.db2.gz PPSJQUITDUUSLF-UHFFFAOYSA-N 0 0 257.337 2.761 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccoc1)c1ccccc1O ZINC001225178184 775359767 /nfs/dbraw/zinc/35/97/67/775359767.db2.gz BJDVKGGPJYSQNQ-SNVBAGLBSA-N 0 0 260.293 2.546 20 10 CFCDRN C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000393741015 775501402 /nfs/dbraw/zinc/50/14/02/775501402.db2.gz BGGIKQCGMUGQTM-LDYMZIIASA-N 0 0 257.786 2.887 20 10 CFCDRN C[C@@H]1C[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)CC(C)(C)C1 ZINC001226466016 775834396 /nfs/dbraw/zinc/83/43/96/775834396.db2.gz ZFRODSBHONTCGF-HTQZYQBOSA-N 0 0 298.335 2.808 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465255 775834568 /nfs/dbraw/zinc/83/45/68/775834568.db2.gz RBJAJUIBNDKPIK-YUMQZZPRSA-N 0 0 284.308 2.562 20 10 CFCDRN O=C1N[C@H](c2cccc(Cl)c2O)Nc2ccccc21 ZINC000124677237 776215011 /nfs/dbraw/zinc/21/50/11/776215011.db2.gz OQIHRGOIEGYXCE-CYBMUJFWSA-N 0 0 274.707 2.900 20 10 CFCDRN CC(C)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227580588 776233277 /nfs/dbraw/zinc/23/32/77/776233277.db2.gz RNFDIAXGEFQNSG-UHFFFAOYSA-N 0 0 282.295 2.955 20 10 CFCDRN COC[C@H](C)OC[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939263 776335323 /nfs/dbraw/zinc/33/53/23/776335323.db2.gz QCUHOMQUCPLIAN-QWHCGFSZSA-N 0 0 267.369 2.571 20 10 CFCDRN Cc1c([C@@H](C)Oc2ccc(N(C)C)cc2)cnn1C ZINC001227940986 776336871 /nfs/dbraw/zinc/33/68/71/776336871.db2.gz QCXYHNQWDIKXRK-GFCCVEGCSA-N 0 0 259.353 2.935 20 10 CFCDRN Cn1cc(N(CCO)c2ccc(N)cc2)c2ccccc21 ZINC001203420922 776525179 /nfs/dbraw/zinc/52/51/79/776525179.db2.gz LAPNKTXKLXTKAM-UHFFFAOYSA-N 0 0 281.359 2.891 20 10 CFCDRN CCc1nc([C@H](C)NC(=O)Cc2ccc(N)cc2)cs1 ZINC000237062620 776952847 /nfs/dbraw/zinc/95/28/47/776952847.db2.gz JSQDPQILEUZDKK-JTQLQIEISA-N 0 0 289.404 2.708 20 10 CFCDRN CCCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231447392 777220785 /nfs/dbraw/zinc/22/07/85/777220785.db2.gz SGIRTZYUYHOMEN-UHFFFAOYSA-N 0 0 251.326 2.712 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231448543 777221806 /nfs/dbraw/zinc/22/18/06/777221806.db2.gz HQWKNFQITJMMRH-GHMZBOCLSA-N 0 0 263.337 2.853 20 10 CFCDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231448544 777221851 /nfs/dbraw/zinc/22/18/51/777221851.db2.gz HQWKNFQITJMMRH-PHIMTYICSA-N 0 0 263.337 2.853 20 10 CFCDRN Cc1cccc2c1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231445657 777221976 /nfs/dbraw/zinc/22/19/76/777221976.db2.gz AGCMMBZSCDREAU-UHFFFAOYSA-N 0 0 283.327 2.915 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(O)c1 ZINC001231452674 777223128 /nfs/dbraw/zinc/22/31/28/777223128.db2.gz RFCFGCZCFKPMMO-LLVKDONJSA-N 0 0 285.290 2.568 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CCC1(F)F ZINC001231561692 777260615 /nfs/dbraw/zinc/26/06/15/777260615.db2.gz YPQKLARWARWUMU-SNVBAGLBSA-N 0 0 299.317 2.958 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)[C@H](C)C1 ZINC001231564072 777260860 /nfs/dbraw/zinc/26/08/60/777260860.db2.gz HYOIERIYCPMRQM-GHMZBOCLSA-N 0 0 263.337 2.711 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCCCC23CC3)c1 ZINC001231565548 777261690 /nfs/dbraw/zinc/26/16/90/777261690.db2.gz FKKDFXQZDYPGDX-UHFFFAOYSA-N 0 0 261.321 2.609 20 10 CFCDRN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564867 777261845 /nfs/dbraw/zinc/26/18/45/777261845.db2.gz JDCLDNFEIWHYHO-GHMZBOCLSA-N 0 0 263.337 2.568 20 10 CFCDRN Cc1cc(C)c(CN2CC(F)(F)CC[C@H]2CO)c(O)c1 ZINC001231842598 777346953 /nfs/dbraw/zinc/34/69/53/777346953.db2.gz OZFWCANLDPQWJY-LBPRGKRZSA-N 0 0 285.334 2.601 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCC(F)(F)C1 ZINC001231848534 777350305 /nfs/dbraw/zinc/35/03/05/777350305.db2.gz ICRBPWYDYWJYAA-UHFFFAOYSA-N 0 0 270.323 2.602 20 10 CFCDRN Cc1cc(C)c(CN2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001231848510 777350338 /nfs/dbraw/zinc/35/03/38/777350338.db2.gz ICLIWZQCUJOHSF-KRWDZBQOSA-N 0 0 298.386 2.978 20 10 CFCDRN COc1cc(N(C)C)ccc1CN(C)Cc1ccccn1 ZINC001231848964 777350405 /nfs/dbraw/zinc/35/04/05/777350405.db2.gz MCIHOKPZTPTCQD-UHFFFAOYSA-N 0 0 285.391 2.788 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)C[C@@H]2C)cc1Cl ZINC001231867453 777357647 /nfs/dbraw/zinc/35/76/47/777357647.db2.gz KUUZHXQTYKFMGV-JTQLQIEISA-N 0 0 267.756 2.907 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1O ZINC001231909348 777378249 /nfs/dbraw/zinc/37/82/49/777378249.db2.gz KAQFBPWIXWFQPP-GWCFXTLKSA-N 0 0 269.772 2.638 20 10 CFCDRN CC(C)[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231912768 777380093 /nfs/dbraw/zinc/38/00/93/777380093.db2.gz YPOLHNIOUPWULQ-CYBMUJFWSA-N 0 0 269.772 2.902 20 10 CFCDRN COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC001231912789 777381344 /nfs/dbraw/zinc/38/13/44/777381344.db2.gz ZRFKCUQCCIWNCP-CMPLNLGQSA-N 0 0 297.782 2.819 20 10 CFCDRN CN1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231914186 777383072 /nfs/dbraw/zinc/38/30/72/777383072.db2.gz HKNYPOYMJXEZEC-BXUZGUMPSA-N 0 0 280.799 2.572 20 10 CFCDRN Oc1cc(O)c(CN2Cc3cccnc3C2)cc1Cl ZINC001232261151 777496299 /nfs/dbraw/zinc/49/62/99/777496299.db2.gz WDFXKZPQVYHZSD-UHFFFAOYSA-N 0 0 276.723 2.662 20 10 CFCDRN C[N@H+](CCC1CC1)Cc1cc(Cl)c(O)cc1O ZINC001232262589 777497984 /nfs/dbraw/zinc/49/79/84/777497984.db2.gz KWCGVJHYJNOEPC-UHFFFAOYSA-N 0 0 255.745 2.983 20 10 CFCDRN Nc1ccc(Nc2c(F)cc(CO)cc2F)cc1 ZINC001214096578 777557032 /nfs/dbraw/zinc/55/70/32/777557032.db2.gz ADLGXCIXLOYRGI-UHFFFAOYSA-N 0 0 250.248 2.783 20 10 CFCDRN Cc1cc2cc(NCCc3cc(O)c(O)cc3O)ncc2[nH]1 ZINC001168006818 777581281 /nfs/dbraw/zinc/58/12/81/777581281.db2.gz UEFYTPMFODWOAQ-UHFFFAOYSA-N 0 0 299.330 2.643 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC001232840051 777688518 /nfs/dbraw/zinc/68/85/18/777688518.db2.gz LGXMKSBATUXOJQ-UHFFFAOYSA-N 0 0 277.393 2.547 20 10 CFCDRN Oc1cc(CN2CCC(C(F)(F)F)CC2)cc(O)c1O ZINC001233010071 777762022 /nfs/dbraw/zinc/76/20/22/777762022.db2.gz JXAKVSZHMGRPAK-UHFFFAOYSA-N 0 0 291.269 2.578 20 10 CFCDRN Oc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc(O)c1O ZINC001233017026 777766463 /nfs/dbraw/zinc/76/64/63/777766463.db2.gz QOHPKNJPDPUZLP-RYUDHWBXSA-N 0 0 263.337 2.568 20 10 CFCDRN Oc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc(O)c1O ZINC001233017023 777766816 /nfs/dbraw/zinc/76/68/16/777766816.db2.gz QOHPKNJPDPUZLP-NWDGAFQWSA-N 0 0 263.337 2.568 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@]1(C)O ZINC001233074627 777788266 /nfs/dbraw/zinc/78/82/66/777788266.db2.gz QLDLBTZGBJMPAY-MEBBXXQBSA-N 0 0 285.334 2.653 20 10 CFCDRN Cn1ncc2c1CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286508 777866234 /nfs/dbraw/zinc/86/62/34/777866234.db2.gz WVGRUUHHJDTJOW-UHFFFAOYSA-N 0 0 285.391 2.939 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CCO[C@@H]3C[C@@H]32)c1 ZINC001233287152 777867697 /nfs/dbraw/zinc/86/76/97/777867697.db2.gz YRRZUNQGHBAFEM-DZGCQCFKSA-N 0 0 261.365 2.663 20 10 CFCDRN COC(=O)[C@H]1CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284576 777867950 /nfs/dbraw/zinc/86/79/50/777867950.db2.gz ZROZOJAGJSCGBU-CQSZACIVSA-N 0 0 291.391 2.827 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC(=O)C(C)(C)C2)c1O ZINC001233290058 777870050 /nfs/dbraw/zinc/87/00/50/777870050.db2.gz GAJVCXIHAROMOC-UHFFFAOYSA-N 0 0 297.782 2.855 20 10 CFCDRN COCCC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334414 777895070 /nfs/dbraw/zinc/89/50/70/777895070.db2.gz FZDOJNSREGKWFT-UHFFFAOYSA-N 0 0 285.334 2.919 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCC[C@H]32)cccc1C(F)(F)F ZINC001233416623 777942613 /nfs/dbraw/zinc/94/26/13/777942613.db2.gz PBSTZIDFGWNSSO-VXGBXAGGSA-N 0 0 287.281 2.774 20 10 CFCDRN CO[C@H](C)C1C[NH+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418936 777942816 /nfs/dbraw/zinc/94/28/16/777942816.db2.gz CFOWUHPPKDQVKY-SECBINFHSA-N 0 0 289.297 2.878 20 10 CFCDRN CC[N@H+](CCN(C)C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416166 777944052 /nfs/dbraw/zinc/94/40/52/777944052.db2.gz YIXMCMCSNCVQMC-UHFFFAOYSA-N 0 0 290.329 2.795 20 10 CFCDRN C[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233415981 777944603 /nfs/dbraw/zinc/94/46/03/777944603.db2.gz QVUVPOCHWZYARK-SECBINFHSA-N 0 0 275.270 2.632 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1C[C@@H](F)[C@H](F)C1 ZINC001233452051 777956957 /nfs/dbraw/zinc/95/69/57/777956957.db2.gz IRZJMZZQXLFGFI-NXEZZACHSA-N 0 0 281.224 2.903 20 10 CFCDRN CCN1CCc2cc(O[C@@H](C)c3ncccn3)ccc21 ZINC001233606261 778010338 /nfs/dbraw/zinc/01/03/38/778010338.db2.gz AVZOFJSZJTVJRH-LBPRGKRZSA-N 0 0 269.348 2.999 20 10 CFCDRN C[C@@H]1COCCN1Cc1cccc(OC(F)(F)F)c1O ZINC001233727893 778056859 /nfs/dbraw/zinc/05/68/59/778056859.db2.gz QVQUQUSAVVVEPU-SECBINFHSA-N 0 0 291.269 2.512 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCC(F)CC1 ZINC001168168481 778198805 /nfs/dbraw/zinc/19/88/05/778198805.db2.gz AKKIMMVSRFPLJB-PKSQDBQZSA-N 0 0 295.354 2.673 20 10 CFCDRN CN(C[C@@H]1CC(C)(C)CO1)c1ccc2c(c1)OCO2 ZINC001168214728 778253977 /nfs/dbraw/zinc/25/39/77/778253977.db2.gz IMSLNOTUMBLOPP-LBPRGKRZSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1cc(Cl)cc(CN2C[C@@H](F)[C@@H](F)C2)c1O ZINC000714557846 778288163 /nfs/dbraw/zinc/28/81/63/778288163.db2.gz GUEZFEBSMZAWJK-AOOOYVTPSA-N 0 0 277.698 2.546 20 10 CFCDRN CC(=O)Oc1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001212082235 778352693 /nfs/dbraw/zinc/35/26/93/778352693.db2.gz RETCPANTSLITEN-UHFFFAOYSA-N 0 0 256.305 2.962 20 10 CFCDRN CC[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCN(C)CC1 ZINC001142520579 778398677 /nfs/dbraw/zinc/39/86/77/778398677.db2.gz LQCHHGZCYBJJQP-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001142527252 778401789 /nfs/dbraw/zinc/40/17/89/778401789.db2.gz QBFOCPFYGPBWSG-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN COc1ccc(O)c(CN[C@@H](C)c2cscn2)c1 ZINC000697818898 778468816 /nfs/dbraw/zinc/46/88/16/778468816.db2.gz BQUHPMRKCGWGKN-VIFPVBQESA-N 0 0 264.350 2.708 20 10 CFCDRN CC(C)[C@@H]1CNCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001235458060 778497358 /nfs/dbraw/zinc/49/73/58/778497358.db2.gz LTJVSSVQTHIIOX-KRWDZBQOSA-N 0 0 284.403 2.975 20 10 CFCDRN Cn1cnc2c1C[N@H+](Cc1ccc(C(C)(C)C)cc1O)CC2 ZINC001235678604 778533563 /nfs/dbraw/zinc/53/35/63/778533563.db2.gz CSQHYJKIRXPIRW-UHFFFAOYSA-N 0 0 299.418 2.982 20 10 CFCDRN CCN(CC(=O)OC)Cc1ccc(C(C)(C)C)cc1O ZINC001235679607 778534281 /nfs/dbraw/zinc/53/42/81/778534281.db2.gz GVCKNEQYAGRWAC-UHFFFAOYSA-N 0 0 279.380 2.685 20 10 CFCDRN CC(C)C[C@H]1CN(Cc2cc(Cl)c(O)cc2O)CC[NH2+]1 ZINC001235881141 778588819 /nfs/dbraw/zinc/58/88/19/778588819.db2.gz ARZASBWBKFPSAK-LBPRGKRZSA-N 0 0 298.814 2.571 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235921223 778608619 /nfs/dbraw/zinc/60/86/19/778608619.db2.gz FEQIXZJGHJODBK-UHFFFAOYSA-N 0 0 284.762 2.513 20 10 CFCDRN Nc1ccc(Cc2nc([C@H]3CCCS3)no2)cc1 ZINC000160594075 778610344 /nfs/dbraw/zinc/61/03/44/778610344.db2.gz FUGYXIFNZIPSDY-LLVKDONJSA-N 0 0 261.350 2.811 20 10 CFCDRN Nc1ccc(Cc2nc([C@@H]3CCCS3)no2)cc1 ZINC000160593969 778610368 /nfs/dbraw/zinc/61/03/68/778610368.db2.gz FUGYXIFNZIPSDY-NSHDSACASA-N 0 0 261.350 2.811 20 10 CFCDRN COCOc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001235965808 778632526 /nfs/dbraw/zinc/63/25/26/778632526.db2.gz WLGOOKCXHQLDIA-UHFFFAOYSA-N 0 0 296.326 2.583 20 10 CFCDRN [NH3+][C@]12CC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001235981520 778638569 /nfs/dbraw/zinc/63/85/69/778638569.db2.gz WOFBMOATJJGPGP-RNCFNFMXSA-N 0 0 287.190 2.622 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000031727271 778705826 /nfs/dbraw/zinc/70/58/26/778705826.db2.gz ZTJWGHFMFYSMQG-CYBMUJFWSA-N 0 0 298.390 2.708 20 10 CFCDRN COc1ccc(O)c(Nc2ccncc2Cl)c1 ZINC001212155635 778763597 /nfs/dbraw/zinc/76/35/97/778763597.db2.gz UCOJGWAVDCTRLM-UHFFFAOYSA-N 0 0 250.685 2.615 20 10 CFCDRN COC(=O)c1cc2ccc(-c3ccc(N)nc3)cc2n1C ZINC001236313322 778773126 /nfs/dbraw/zinc/77/31/26/778773126.db2.gz NRWCORMFPGFDEV-UHFFFAOYSA-N 0 0 281.315 2.609 20 10 CFCDRN COc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1C ZINC001236394437 778801500 /nfs/dbraw/zinc/80/15/00/778801500.db2.gz WBJUPVNVXBGTQB-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(CO)CC1 ZINC000696041968 778824517 /nfs/dbraw/zinc/82/45/17/778824517.db2.gz ODKHIQYXPQURCZ-MRVPVSSYSA-N 0 0 290.190 2.950 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(CO)CC1 ZINC000696041969 778824653 /nfs/dbraw/zinc/82/46/53/778824653.db2.gz ODKHIQYXPQURCZ-QMMMGPOBSA-N 0 0 290.190 2.950 20 10 CFCDRN O=[N+]([O-])c1cnc(Sc2ccc(CO)cc2)s1 ZINC000226777967 778847680 /nfs/dbraw/zinc/84/76/80/778847680.db2.gz RJJZBDVYKUFAJR-UHFFFAOYSA-N 0 0 268.319 2.695 20 10 CFCDRN COc1cc(CN2CC=CC2)c(O)cc1Br ZINC001236746256 778928008 /nfs/dbraw/zinc/92/80/08/778928008.db2.gz VYKBKSXIOCZTMJ-UHFFFAOYSA-N 0 0 284.153 2.535 20 10 CFCDRN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792059 778939124 /nfs/dbraw/zinc/93/91/24/778939124.db2.gz AXNMWKRQDMXNKV-VXNVDRBHSA-N 0 0 276.163 2.654 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(C1)CCOC2 ZINC001236793673 778939322 /nfs/dbraw/zinc/93/93/22/778939322.db2.gz NGSPZUALDITSQV-UHFFFAOYSA-N 0 0 288.174 2.921 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC(F)C1 ZINC001236794938 778941963 /nfs/dbraw/zinc/94/19/63/778941963.db2.gz WZVRXLSZRQDNDV-UHFFFAOYSA-N 0 0 250.100 2.853 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](C)[C@@H](F)C2)c(Cl)c1 ZINC001236800478 778943142 /nfs/dbraw/zinc/94/31/42/778943142.db2.gz ZNVGUSMQJOJCPP-PELKAZGASA-N 0 0 273.735 2.844 20 10 CFCDRN COc1cc(O)c(CN2CCC(F)(F)C2)c(Cl)c1 ZINC001236799632 778943758 /nfs/dbraw/zinc/94/37/58/778943758.db2.gz TYNJCUGLQUHPMH-UHFFFAOYSA-N 0 0 277.698 2.895 20 10 CFCDRN COc1cc(O)c(CN2CCC(=O)C(C)(C)C2)c(Cl)c1 ZINC001236804505 778944881 /nfs/dbraw/zinc/94/48/81/778944881.db2.gz VRLHQANRQJDFBS-UHFFFAOYSA-N 0 0 297.782 2.855 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1Cl ZINC001236803601 778945466 /nfs/dbraw/zinc/94/54/66/778945466.db2.gz VQGPMMXEWOREIU-BMIGLBTASA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1Cl ZINC001236805846 778946139 /nfs/dbraw/zinc/94/61/39/778946139.db2.gz FTXYNEIYOLEBTE-ZYHUDNBSSA-N 0 0 297.782 2.665 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c([O-])c1Cl ZINC001236805611 778946664 /nfs/dbraw/zinc/94/66/64/778946664.db2.gz CFYMBXUBQNJQJO-OAHLLOKOSA-N 0 0 297.782 2.809 20 10 CFCDRN COc1cc(O)c(CN2CCCC[C@H]2C(C)=O)c(Cl)c1 ZINC001236807916 778947142 /nfs/dbraw/zinc/94/71/42/778947142.db2.gz LALARRSMJJWOJX-AWEZNQCLSA-N 0 0 297.782 2.998 20 10 CFCDRN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(OC)c(Cl)c1[O-])C2 ZINC001236807365 778947253 /nfs/dbraw/zinc/94/72/53/778947253.db2.gz OHNCFTOOUGSBDU-NHYWBVRUSA-N 0 0 297.782 2.808 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(O)c1 ZINC001236810975 778948744 /nfs/dbraw/zinc/94/87/44/778948744.db2.gz MCPJYZRVVJXDFA-ZDUSSCGKSA-N 0 0 277.364 2.510 20 10 CFCDRN COc1cc(C)c(CN2Cc3ccncc3C2)c(O)c1 ZINC001236812866 778949942 /nfs/dbraw/zinc/94/99/42/778949942.db2.gz GEIUVFWNWFRHMS-UHFFFAOYSA-N 0 0 270.332 2.620 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236827674 778956714 /nfs/dbraw/zinc/95/67/14/778956714.db2.gz VRAAYYVXIMVEJB-LRDDRELGSA-N 0 0 271.360 2.748 20 10 CFCDRN CC(C)c1ccc(CN2C[C@H](CO)CC(F)(F)C2)c(O)c1 ZINC001237045999 778997051 /nfs/dbraw/zinc/99/70/51/778997051.db2.gz OYBRCAQZQXNPHY-GFCCVEGCSA-N 0 0 299.361 2.965 20 10 CFCDRN CCOc1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)c1 ZINC001237047349 778999250 /nfs/dbraw/zinc/99/92/50/778999250.db2.gz LRYRITBITOCJOU-IUODEOHRSA-N 0 0 289.375 2.592 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001237049769 778999735 /nfs/dbraw/zinc/99/97/35/778999735.db2.gz JALJYMFFHCSILO-MRXNPFEDSA-N 0 0 277.364 2.546 20 10 CFCDRN CCN(Cc1ccc(C(C)C)cc1O)[C@@H](C)C(=O)OC ZINC001237051955 779000104 /nfs/dbraw/zinc/00/01/04/779000104.db2.gz RZCISLQNJCXTHJ-LBPRGKRZSA-N 0 0 279.380 2.899 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CC(C2COC2)C1 ZINC001237077087 779004510 /nfs/dbraw/zinc/00/45/10/779004510.db2.gz CKIRZXNTMSHGKU-UHFFFAOYSA-N 0 0 288.174 2.777 20 10 CFCDRN CCN(Cc1c(O)ccc(Cl)c1Cl)C1COC1 ZINC001237084176 779009037 /nfs/dbraw/zinc/00/90/37/779009037.db2.gz HVLDQQKCDJLNHD-UHFFFAOYSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(O)ccc(F)c1Cl ZINC001237121295 779017165 /nfs/dbraw/zinc/01/71/65/779017165.db2.gz AZUADXDMFYXNKI-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN O=C1CCCN(Cc2c(O)ccc(F)c2Cl)C[C@@H]1F ZINC001237120077 779018105 /nfs/dbraw/zinc/01/81/05/779018105.db2.gz ITANXBIWHLGGNN-JTQLQIEISA-N 0 0 289.709 2.688 20 10 CFCDRN O=C1CCCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237123116 779018481 /nfs/dbraw/zinc/01/84/81/779018481.db2.gz HJMKPHWLQYKUBY-UHFFFAOYSA-N 0 0 271.719 2.740 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CC[C@H](F)C1 ZINC001237137161 779023140 /nfs/dbraw/zinc/02/31/40/779023140.db2.gz MVZNSUBPELFLNV-JTQLQIEISA-N 0 0 263.234 2.955 20 10 CFCDRN C[C@H]1COCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237137324 779023425 /nfs/dbraw/zinc/02/34/25/779023425.db2.gz OHNZNJNIFNWKSW-VIFPVBQESA-N 0 0 275.270 2.632 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1CO ZINC001237618395 779145613 /nfs/dbraw/zinc/14/56/13/779145613.db2.gz ZSLDZUHZBBYQLE-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[NH+](CC)CCN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237620579 779146395 /nfs/dbraw/zinc/14/63/95/779146395.db2.gz VJYMESQFNJJGRK-UHFFFAOYSA-N 0 0 288.794 2.958 20 10 CFCDRN CN(Cc1ccno1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237623280 779147563 /nfs/dbraw/zinc/14/75/63/779147563.db2.gz LJLJWGFRFUMFPD-UHFFFAOYSA-N 0 0 270.691 2.805 20 10 CFCDRN O=C1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237645030 779154796 /nfs/dbraw/zinc/15/47/96/779154796.db2.gz GOPZXQQZCJCYOY-UHFFFAOYSA-N 0 0 285.318 2.973 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC[C@H](F)C(=O)C2)c1O ZINC001237681280 779160082 /nfs/dbraw/zinc/16/00/82/779160082.db2.gz MOIVMJYDHZYDKP-LBPRGKRZSA-N 0 0 285.746 2.857 20 10 CFCDRN C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237802663 779181374 /nfs/dbraw/zinc/18/13/74/779181374.db2.gz NUBGSJYVWSLSRQ-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237800981 779181963 /nfs/dbraw/zinc/18/19/63/779181963.db2.gz PPOFXLQVVAKFFF-PHIMTYICSA-N 0 0 283.730 2.881 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237800695 779182037 /nfs/dbraw/zinc/18/20/37/779182037.db2.gz AOXKLWZZPQBIGK-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237807988 779184412 /nfs/dbraw/zinc/18/44/12/779184412.db2.gz PHCDYCSXFSFKSA-KOLCDFICSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237808054 779184686 /nfs/dbraw/zinc/18/46/86/779184686.db2.gz POXYXRXWAMJSKH-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[N@H+](CCOC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237808792 779184781 /nfs/dbraw/zinc/18/47/81/779184781.db2.gz WMXHSESJXWXOPZ-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCC[C@@H]1O ZINC001237807786 779184825 /nfs/dbraw/zinc/18/48/25/779184825.db2.gz LYGBRXBWXVPRDR-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000388262367 779193806 /nfs/dbraw/zinc/19/38/06/779193806.db2.gz DKQLNTIBIBPWKU-XPTSAGLGSA-N 0 0 269.772 2.949 20 10 CFCDRN CC1(C)COCCN1Cc1cc(F)c(Cl)cc1O ZINC001237936822 779211001 /nfs/dbraw/zinc/21/10/01/779211001.db2.gz MSFBXHZEODKHJL-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@@H]21 ZINC001237940200 779211783 /nfs/dbraw/zinc/21/17/83/779211783.db2.gz IUXFHLOODCKWGI-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237934654 779212183 /nfs/dbraw/zinc/21/21/83/779212183.db2.gz MDCCGDHBCADOSI-AOOOYVTPSA-N 0 0 271.719 2.548 20 10 CFCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(F)c(Cl)cc1O ZINC001237948612 779214009 /nfs/dbraw/zinc/21/40/09/779214009.db2.gz FNODBEYZBYVNNN-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN COC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237947501 779214554 /nfs/dbraw/zinc/21/45/54/779214554.db2.gz QBTXIIDXWWYALL-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN Cc1cc(F)cc(CN2CCCC(=O)[C@@H](C)C2)c1O ZINC001238055777 779241239 /nfs/dbraw/zinc/24/12/39/779241239.db2.gz DENTUWARLIWUAF-NSHDSACASA-N 0 0 265.328 2.641 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC001238059000 779241677 /nfs/dbraw/zinc/24/16/77/779241677.db2.gz XCKPSPDDOUFGPC-OAHLLOKOSA-N 0 0 267.344 2.577 20 10 CFCDRN Cc1cc(F)cc(CN2CCn3cccc3C2)c1O ZINC001238060355 779242090 /nfs/dbraw/zinc/24/20/90/779242090.db2.gz ADTQMOXBTWFCHK-UHFFFAOYSA-N 0 0 260.312 2.657 20 10 CFCDRN Cc1cc(F)cc(CN2CC3(C2)CCCCO3)c1O ZINC001238065624 779244676 /nfs/dbraw/zinc/24/46/76/779244676.db2.gz WHISDULQAGMHCR-UHFFFAOYSA-N 0 0 265.328 2.595 20 10 CFCDRN Cc1cc(F)cc(CN(C)Cc2cnc(C)nc2)c1O ZINC001238069914 779245413 /nfs/dbraw/zinc/24/54/13/779245413.db2.gz LGNALAACNMPYPE-UHFFFAOYSA-N 0 0 275.327 2.570 20 10 CFCDRN Oc1c(CNc2cncnc2)cc(Cl)c2cccnc12 ZINC001168521703 779432276 /nfs/dbraw/zinc/43/22/76/779432276.db2.gz HKXDPYHIRPQHHA-UHFFFAOYSA-N 0 0 286.722 2.996 20 10 CFCDRN CC(C)n1ccc(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001239067850 779456694 /nfs/dbraw/zinc/45/66/94/779456694.db2.gz HGHCSAHKFBRGBA-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)c(C)n1 ZINC001239468606 779579590 /nfs/dbraw/zinc/57/95/90/779579590.db2.gz JDYBVLDPDNMZSL-UHFFFAOYSA-N 0 0 291.354 2.970 20 10 CFCDRN Cn1ncc2c1CN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236795204 779638930 /nfs/dbraw/zinc/63/89/30/779638930.db2.gz BSCQIASVUSWVEK-UHFFFAOYSA-N 0 0 298.173 2.948 20 10 CFCDRN COC1(C)CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120176 779663583 /nfs/dbraw/zinc/66/35/83/779663583.db2.gz NRDRJVMAQHIILC-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001237934966 779724813 /nfs/dbraw/zinc/72/48/13/779724813.db2.gz OBORSRNECQNTPB-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN Nc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)c(F)n1 ZINC001239831882 779807101 /nfs/dbraw/zinc/80/71/01/779807101.db2.gz DKGGVZXCUALCPL-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN Fc1cc(F)c(-c2noc(-c3csnn3)n2)cc1F ZINC001212361729 779993270 /nfs/dbraw/zinc/99/32/70/779993270.db2.gz CNLPZZCEWKXDJH-UHFFFAOYSA-N 0 0 284.222 2.672 20 10 CFCDRN Cc1ccc(F)cc1-c1noc(-c2csnn2)n1 ZINC001212362121 779994068 /nfs/dbraw/zinc/99/40/68/779994068.db2.gz NUPJDALIGBWTJS-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN c1ncc(-c2ccccc2-c2noc(-c3csnn3)n2)o1 ZINC001212361978 779994160 /nfs/dbraw/zinc/99/41/60/779994160.db2.gz JLWZVZRTZMTEEQ-UHFFFAOYSA-N 0 0 297.299 2.910 20 10 CFCDRN O=C1CCCc2cc(-c3noc(-c4csnn4)n3)ccc21 ZINC001212362062 779994929 /nfs/dbraw/zinc/99/49/29/779994929.db2.gz LLYLWTJUTJUIKS-UHFFFAOYSA-N 0 0 298.327 2.774 20 10 CFCDRN COc1ccc(-c2noc(-c3nnsc3C)n2)cc1 ZINC001212405444 780094567 /nfs/dbraw/zinc/09/45/67/780094567.db2.gz TVDLEVDSASBGPY-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN Cc1c(-c2cc(N(C)c3ccccc3)ncn2)cnn1C ZINC001240380628 780123690 /nfs/dbraw/zinc/12/36/90/780123690.db2.gz WZFOXMGXHKNWQN-UHFFFAOYSA-N 0 0 279.347 2.953 20 10 CFCDRN Cn1ccc2ccc(-c3ccnn(CC4CC4)c3=O)cc21 ZINC001240576285 780267631 /nfs/dbraw/zinc/26/76/31/780267631.db2.gz QXTPXLOOTFTWQM-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN COCCn1cc(-c2cccc3c2ccn3C)cn1 ZINC001240630047 780307968 /nfs/dbraw/zinc/30/79/68/780307968.db2.gz KXCIPEMEXCCTBF-UHFFFAOYSA-N 0 0 255.321 2.688 20 10 CFCDRN CCn1cc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001240652199 780328931 /nfs/dbraw/zinc/32/89/31/780328931.db2.gz NIGPSEQIVNXQSN-UHFFFAOYSA-N 0 0 297.333 2.919 20 10 CFCDRN Cn1ccc2c1nccc2-c1cncc(C(C)(C)O)c1 ZINC001240669279 780342611 /nfs/dbraw/zinc/34/26/11/780342611.db2.gz JMNWJUPDEKTWLE-UHFFFAOYSA-N 0 0 267.332 2.863 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnc(C2CC2)nc1 ZINC001240686529 780359305 /nfs/dbraw/zinc/35/93/05/780359305.db2.gz CHXRYBNPGJFCIK-UHFFFAOYSA-N 0 0 250.305 2.908 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnn(CC(C)C)c2)nn1 ZINC001240880438 780498713 /nfs/dbraw/zinc/49/87/13/780498713.db2.gz DNAPPHKBOZEMJJ-UHFFFAOYSA-N 0 0 296.378 2.705 20 10 CFCDRN Cc1nc(C(F)(F)F)ccc1-c1ccn(C)c(=O)c1 ZINC001240989159 780576473 /nfs/dbraw/zinc/57/64/73/780576473.db2.gz QBKZBDKEZKPIQY-UHFFFAOYSA-N 0 0 268.238 2.775 20 10 CFCDRN CCCOc1ncc(-c2ccn(C)c(=O)c2)cc1C ZINC001240991321 780577536 /nfs/dbraw/zinc/57/75/36/780577536.db2.gz GVJZLZVAYRVMHT-UHFFFAOYSA-N 0 0 258.321 2.545 20 10 CFCDRN Cc1cc(OC(C)C)ncc1-c1ccn(C)c(=O)c1 ZINC001240997919 780581499 /nfs/dbraw/zinc/58/14/99/780581499.db2.gz IDKBONTWGJSFJJ-UHFFFAOYSA-N 0 0 258.321 2.543 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](CCF)C1 ZINC000700593404 780704200 /nfs/dbraw/zinc/70/42/00/780704200.db2.gz UMMSSVVQJIQXFG-LBPRGKRZSA-N 0 0 273.735 2.606 20 10 CFCDRN C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000700787613 780719926 /nfs/dbraw/zinc/71/99/26/780719926.db2.gz JCIBFGCMVPBXSW-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN O=C(/C=C\c1ccccc1F)NCc1ccccc1O ZINC000701127783 780763788 /nfs/dbraw/zinc/76/37/88/780763788.db2.gz HEEHZHRJKHCBAO-KTKRTIGZSA-N 0 0 271.291 2.861 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2ccc(N3CCCC3)nc2)n1 ZINC001241376249 780830970 /nfs/dbraw/zinc/83/09/70/780830970.db2.gz WQJWNVZNKCXXSM-UHFFFAOYSA-N 0 0 293.374 2.939 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(F)F ZINC000703234377 781000793 /nfs/dbraw/zinc/00/07/93/781000793.db2.gz QGWNDJSJYCAXCV-LLVKDONJSA-N 0 0 263.234 2.805 20 10 CFCDRN Cc1nc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])cs1 ZINC000703342860 781008881 /nfs/dbraw/zinc/00/88/81/781008881.db2.gz WOHZGIDHGPNMMX-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN CCOC(=O)c1cnc(S[C@@H]2COC(C)(C)C2)s1 ZINC000705564046 781142364 /nfs/dbraw/zinc/14/23/64/781142364.db2.gz KQPHKTXITLIWJE-QMMMGPOBSA-N 0 0 287.406 2.979 20 10 CFCDRN Cn1ccc2c1cccc2-c1nccc2c1NC(=O)CO2 ZINC001241820276 781144027 /nfs/dbraw/zinc/14/40/27/781144027.db2.gz WMPCVLCLZWAOPI-UHFFFAOYSA-N 0 0 279.299 2.571 20 10 CFCDRN COCCOc1cnc(-c2cccc3c2ccn3C)cn1 ZINC001241822695 781144492 /nfs/dbraw/zinc/14/44/92/781144492.db2.gz AXQZYVYONQBEGQ-UHFFFAOYSA-N 0 0 283.331 2.661 20 10 CFCDRN Cn1ccc2c1cccc2-c1cn(CC2CC2)c(=O)cn1 ZINC001241823949 781145548 /nfs/dbraw/zinc/14/55/48/781145548.db2.gz GZLHQRFZYVNCCT-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN CON(C)C(=O)c1ncccc1-c1cccc2c1ccn2C ZINC001241824542 781145929 /nfs/dbraw/zinc/14/59/29/781145929.db2.gz QKIMOGUDTRONSJ-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN Cn1ccc(-c2cnn(C3CCCCC3)c2)cc1=O ZINC001241839458 781152122 /nfs/dbraw/zinc/15/21/22/781152122.db2.gz GHXSCWLBXVDJLA-UHFFFAOYSA-N 0 0 257.337 2.754 20 10 CFCDRN CC(=O)N1CC=C(c2ccc(N(C)C)cc2C)CC1 ZINC001241969599 781211035 /nfs/dbraw/zinc/21/10/35/781211035.db2.gz CXPQUSTVKVGWNY-UHFFFAOYSA-N 0 0 258.365 2.697 20 10 CFCDRN CCC[C@@H](CNC(=O)Nc1ccc(N)cc1)OCC ZINC000707851339 781264075 /nfs/dbraw/zinc/26/40/75/781264075.db2.gz FBFUTZSXJPVDOT-ZDUSSCGKSA-N 0 0 265.357 2.596 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000708394267 781271484 /nfs/dbraw/zinc/27/14/84/781271484.db2.gz UHQAPFSALXGRCM-UHFFFAOYSA-N 0 0 285.334 2.703 20 10 CFCDRN CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CC(F)(F)C1 ZINC000708421096 781273881 /nfs/dbraw/zinc/27/38/81/781273881.db2.gz OVJXPERZDJTGCO-UHFFFAOYSA-N 0 0 263.234 2.948 20 10 CFCDRN Cc1noc(C)c1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001242108418 781283392 /nfs/dbraw/zinc/28/33/92/781283392.db2.gz BIOCQCGYXOZGTL-UHFFFAOYSA-N 0 0 281.315 2.563 20 10 CFCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494419 781290920 /nfs/dbraw/zinc/29/09/20/781290920.db2.gz JBUOWBGRUUXFAK-CPCISQLKSA-N 0 0 259.321 2.654 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOCc1ccccc1 ZINC000708534655 781292411 /nfs/dbraw/zinc/29/24/11/781292411.db2.gz CPBOWLVLDJKCFH-UHFFFAOYSA-N 0 0 293.313 2.977 20 10 CFCDRN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708519934 781292563 /nfs/dbraw/zinc/29/25/63/781292563.db2.gz PQXMCLBEICBJPH-TVQRCGJNSA-N 0 0 273.323 2.821 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708536052 781292687 /nfs/dbraw/zinc/29/26/87/781292687.db2.gz VALHGBPUXDFIOU-CQSZACIVSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708534564 781293037 /nfs/dbraw/zinc/29/30/37/781293037.db2.gz AOBHYMDDRGAECH-JOYOIKCWSA-N 0 0 271.307 2.718 20 10 CFCDRN CN(CC[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000708558587 781294025 /nfs/dbraw/zinc/29/40/25/781294025.db2.gz KDZOGCHPOLRUIP-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnn(C(F)(F)F)c3)cc21 ZINC001242465360 781520413 /nfs/dbraw/zinc/52/04/13/781520413.db2.gz AFIYGTJYDICAMH-UHFFFAOYSA-N 0 0 293.248 2.878 20 10 CFCDRN CCc1ncccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001242523034 781563596 /nfs/dbraw/zinc/56/35/96/781563596.db2.gz GMHPHJIIPRRFFH-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cncc(N3CCCC3)c2)n1 ZINC001242618873 781648635 /nfs/dbraw/zinc/64/86/35/781648635.db2.gz YUMMQZRPHXDFLI-UHFFFAOYSA-N 0 0 293.374 2.939 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cccnc2OC(F)F)n1 ZINC001242627662 781656369 /nfs/dbraw/zinc/65/63/69/781656369.db2.gz MVFWLMURDHNEMG-UHFFFAOYSA-N 0 0 290.273 2.940 20 10 CFCDRN CCOc1cncc(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001242660453 781678306 /nfs/dbraw/zinc/67/83/06/781678306.db2.gz ZJMJSQWEXSNWIM-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN COCCn1ccc(-c2cnc3sccc3c2)cc1=O ZINC001242682752 781695745 /nfs/dbraw/zinc/69/57/45/781695745.db2.gz ZNAJENVSEKCIGZ-UHFFFAOYSA-N 0 0 286.356 2.771 20 10 CFCDRN Cc1ncc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)s1 ZINC001118990869 781736948 /nfs/dbraw/zinc/73/69/48/781736948.db2.gz QPPBUPULVQUZCG-QMMMGPOBSA-N 0 0 292.360 2.662 20 10 CFCDRN COc1ccc(-c2ccc3ccc(=O)n(C)c3c2)c(C)n1 ZINC001242930763 781853284 /nfs/dbraw/zinc/85/32/84/781853284.db2.gz WYINTPQEUCZNBF-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN CSc1cncc(-c2ncnc3c2ccn3C)c1 ZINC001242947204 781863472 /nfs/dbraw/zinc/86/34/72/781863472.db2.gz YNMGMIQXFOIDBQ-UHFFFAOYSA-N 0 0 256.334 2.752 20 10 CFCDRN COCc1cncc(-c2nccc3c2ccn3C)c1 ZINC001242949405 781866259 /nfs/dbraw/zinc/86/62/59/781866259.db2.gz BRFYRYNQEIDUJD-UHFFFAOYSA-N 0 0 253.305 2.782 20 10 CFCDRN O=c1cc(-c2cnn3ccccc23)ccn1CC1CC1 ZINC001242967065 781887035 /nfs/dbraw/zinc/88/70/35/781887035.db2.gz GFRHYENLECJODJ-UHFFFAOYSA-N 0 0 265.316 2.573 20 10 CFCDRN CN(C)c1ccc(C[NH2+]Cc2ccccc2CC(=O)[O-])cc1 ZINC000277084837 282290338 /nfs/dbraw/zinc/29/03/38/282290338.db2.gz WXDYJRRPFGXXDA-UHFFFAOYSA-N 0 0 298.386 2.670 20 10 CFCDRN CN(C)c1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1 ZINC000022813785 346251000 /nfs/dbraw/zinc/25/10/00/346251000.db2.gz WYTZWAQPAPRLTG-UHFFFAOYSA-N 0 0 286.335 2.692 20 10 CFCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000027353188 346269823 /nfs/dbraw/zinc/26/98/23/346269823.db2.gz ZDARCZBITSETRW-CYBMUJFWSA-N 0 0 277.412 2.939 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000058768771 346649858 /nfs/dbraw/zinc/64/98/58/346649858.db2.gz LYMYWPUQCLDSRG-UHFFFAOYSA-N 0 0 284.359 2.900 20 10 CFCDRN Cc1ccoc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058769177 346650057 /nfs/dbraw/zinc/65/00/57/346650057.db2.gz CBFLJFWRFLQEGX-UHFFFAOYSA-N 0 0 284.359 2.900 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1cccc(OC)c1 ZINC000492282807 348631592 /nfs/dbraw/zinc/63/15/92/348631592.db2.gz INHLZNNIAMHHSA-KTKRTIGZSA-N 0 0 299.374 2.803 20 10 CFCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)[nH]1 ZINC000608250442 351416461 /nfs/dbraw/zinc/41/64/61/351416461.db2.gz NSIKOROKQRKYNB-UHFFFAOYSA-N 0 0 299.374 2.737 20 10 CFCDRN CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000294675414 199130365 /nfs/dbraw/zinc/13/03/65/199130365.db2.gz AVPWHPUPZRNRTR-JTQLQIEISA-N 0 0 278.179 2.902 20 10 CFCDRN CN1CCOc2cc(C3=CCN(C(=O)C4CC4)CC3)ccc21 ZINC001243029175 781940838 /nfs/dbraw/zinc/94/08/38/781940838.db2.gz ISMMPEMLZOPBQC-UHFFFAOYSA-N 0 0 298.386 2.541 20 10 CFCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293688508 296120429 /nfs/dbraw/zinc/12/04/29/296120429.db2.gz NOSUBSJPMJLKPL-MRVPVSSYSA-N 0 0 286.278 2.996 20 10 CFCDRN C[C@@H]([NH2+]CCOCC1CC1)c1ccc(F)c(F)c1[O-] ZINC000276917724 296126018 /nfs/dbraw/zinc/12/60/18/296126018.db2.gz LWLUKFCEPJBGIS-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000273469196 296149689 /nfs/dbraw/zinc/14/96/89/296149689.db2.gz FISGPKUAOVDGHM-MNOVXSKESA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187831480 299420206 /nfs/dbraw/zinc/42/02/06/299420206.db2.gz IYPUIJSJXFIGSG-UWVGGRQHSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273540865 296169904 /nfs/dbraw/zinc/16/99/04/296169904.db2.gz YEGQJABGCHHKSR-MNOVXSKESA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000278480172 299424968 /nfs/dbraw/zinc/42/49/68/299424968.db2.gz KMGMVVBRWNMOTF-AUTRQRHGSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000275999386 299427367 /nfs/dbraw/zinc/42/73/67/299427367.db2.gz AGNRHILLDIZFRY-BHDSKKPTSA-N 0 0 296.361 2.804 20 10 CFCDRN C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134899725 296189059 /nfs/dbraw/zinc/18/90/59/296189059.db2.gz SJXSAVLYCZQYMM-RNFRBKRXSA-N 0 0 264.152 2.730 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCOc2ccccc21 ZINC000493017692 246459125 /nfs/dbraw/zinc/45/91/25/246459125.db2.gz NQVYNWBMBHMZBX-WAYWQWQTSA-N 0 0 272.329 2.582 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000090906650 375034889 /nfs/dbraw/zinc/03/48/89/375034889.db2.gz KDYCILQQUVGWCB-BETUJISGSA-N 0 0 295.766 2.611 20 10 CFCDRN CCc1nn(C)cc1NCc1ccc(N(C)C)cc1 ZINC000091070571 375039346 /nfs/dbraw/zinc/03/93/46/375039346.db2.gz OUZHEGIPILLXGB-UHFFFAOYSA-N 0 0 258.369 2.661 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCSc2ncccc21 ZINC000493678306 246666613 /nfs/dbraw/zinc/66/66/13/246666613.db2.gz VTCTULIKPMMAEP-ARJAWSKDSA-N 0 0 289.385 2.690 20 10 CFCDRN CCOc1ccc(O)c(CN(C)Cc2nccs2)c1 ZINC000093582726 375268924 /nfs/dbraw/zinc/26/89/24/375268924.db2.gz YDEGHGGJJRCGMJ-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(C)c(-n3cnnn3)c2)c1 ZINC000103855583 375758840 /nfs/dbraw/zinc/75/88/40/375758840.db2.gz DBICHTQHESXBOO-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN CN(C)c1ccc(CN(CC(F)F)C2CC2)cc1 ZINC000113500709 376017976 /nfs/dbraw/zinc/01/79/76/376017976.db2.gz HAFLFLOUQYFBHT-UHFFFAOYSA-N 0 0 254.324 2.982 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1COc2ccccc21 ZINC000118775230 376314462 /nfs/dbraw/zinc/31/44/62/376314462.db2.gz XAWOBMGZUQCPEI-AWEZNQCLSA-N 0 0 283.327 2.527 20 10 CFCDRN CCOc1cc(N[C@H](C)c2cc(OC)ccc2O)ncn1 ZINC000123763697 376976243 /nfs/dbraw/zinc/97/62/43/376976243.db2.gz YZPBEGUTTROWDZ-SNVBAGLBSA-N 0 0 289.335 2.763 20 10 CFCDRN CCOc1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC000122932111 376942132 /nfs/dbraw/zinc/94/21/32/376942132.db2.gz HGVBBXCSYWZWGN-UHFFFAOYSA-N 0 0 290.342 2.693 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000124709766 377080082 /nfs/dbraw/zinc/08/00/82/377080082.db2.gz NEQKHSACOHCNNL-UONOGXRCSA-N 0 0 280.799 2.762 20 10 CFCDRN CCCCOCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124748020 377084464 /nfs/dbraw/zinc/08/44/64/377084464.db2.gz OECXOILKOAQXMW-UHFFFAOYSA-N 0 0 257.761 2.952 20 10 CFCDRN COc1cc(N(C)C[C@@H]2CCCCO2)cc(OC)c1OC ZINC000125707522 377186481 /nfs/dbraw/zinc/18/64/81/377186481.db2.gz ONLBKCJYQSYOEQ-ZDUSSCGKSA-N 0 0 295.379 2.718 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000126221424 377217485 /nfs/dbraw/zinc/21/74/85/377217485.db2.gz AQISJERONXHULT-UHFFFAOYSA-N 0 0 263.337 2.893 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1ccccc1O ZINC000128064185 377315486 /nfs/dbraw/zinc/31/54/86/377315486.db2.gz FPGRDYLIYQVIJY-RRUGBERISA-N 0 0 269.410 2.590 20 10 CFCDRN CC[C@H](SC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000128330971 377332778 /nfs/dbraw/zinc/33/27/78/377332778.db2.gz ANTHTGBBXBRWLC-ZDUSSCGKSA-N 0 0 284.400 2.650 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1F ZINC000130685425 377594423 /nfs/dbraw/zinc/59/44/23/377594423.db2.gz RTKJTNWROHYSMZ-MRXNPFEDSA-N 0 0 278.371 2.503 20 10 CFCDRN COCCCCN(C)c1ccc(OC)cc1OC ZINC000131753851 377757430 /nfs/dbraw/zinc/75/74/30/377757430.db2.gz ZBDWEEZBMBQWEA-UHFFFAOYSA-N 0 0 253.342 2.567 20 10 CFCDRN C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134240976 377995083 /nfs/dbraw/zinc/99/50/83/377995083.db2.gz XFQJVMBZVWMOPK-HQJQHLMTSA-N 0 0 276.163 2.966 20 10 CFCDRN COc1ccc(N(CC(OC)OC)[C@H](C)C2CC2)cc1 ZINC000136793237 378210629 /nfs/dbraw/zinc/21/06/29/378210629.db2.gz FGAAOTTUTSDLHR-GFCCVEGCSA-N 0 0 279.380 2.919 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(F)F ZINC000334630027 379661731 /nfs/dbraw/zinc/66/17/31/379661731.db2.gz SXXAOTKIVLHPOE-UHFFFAOYSA-N 0 0 298.333 2.769 20 10 CFCDRN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000529646410 383740721 /nfs/dbraw/zinc/74/07/21/383740721.db2.gz ZMGQDMGDQOCSAJ-OTYXRUKQSA-N 0 0 285.746 2.842 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000175215929 380022022 /nfs/dbraw/zinc/02/20/22/380022022.db2.gz WORBLHLRWOKTEE-LBPRGKRZSA-N 0 0 260.381 2.757 20 10 CFCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCC1 ZINC000175225200 380023539 /nfs/dbraw/zinc/02/35/39/380023539.db2.gz ZWVRMSMDTVDLJV-UHFFFAOYSA-N 0 0 285.391 2.757 20 10 CFCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000175538262 380085726 /nfs/dbraw/zinc/08/57/26/380085726.db2.gz QBPMYANZFOBCID-LLVKDONJSA-N 0 0 288.391 2.869 20 10 CFCDRN CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)C)C1=O ZINC000175284080 380038063 /nfs/dbraw/zinc/03/80/63/380038063.db2.gz ZGLCEDDBLBMZGE-HNNXBMFYSA-N 0 0 290.407 2.614 20 10 CFCDRN Oc1c(F)cccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529665071 383744175 /nfs/dbraw/zinc/74/41/75/383744175.db2.gz JQLYOBAMIQTCQU-UHFFFAOYSA-N 0 0 299.349 2.757 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@](C)(O)C2)cc1 ZINC000177349138 380332018 /nfs/dbraw/zinc/33/20/18/380332018.db2.gz OHJKMTKDGFLGLV-SFHVURJKSA-N 0 0 298.386 2.691 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000177686765 380367381 /nfs/dbraw/zinc/36/73/81/380367381.db2.gz RZQQHLMFAGOXJQ-GHMZBOCLSA-N 0 0 295.404 2.810 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2[C@@H]3CCC[C@H]23)cc1F ZINC000177702346 380370759 /nfs/dbraw/zinc/37/07/59/380370759.db2.gz LGRMXDCZVVZKFW-ODOQXGPZSA-N 0 0 276.355 2.554 20 10 CFCDRN Cc1nscc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000179503252 380550373 /nfs/dbraw/zinc/55/03/73/380550373.db2.gz YAZNLOHASUZZDR-UHFFFAOYSA-N 0 0 293.367 2.587 20 10 CFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1 ZINC000179521212 380553097 /nfs/dbraw/zinc/55/30/97/380553097.db2.gz WRPLECWDBGHCNZ-UHFFFAOYSA-N 0 0 292.360 2.838 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000180041552 380613480 /nfs/dbraw/zinc/61/34/80/380613480.db2.gz KNQLQIUJSSAXSO-SECBINFHSA-N 0 0 257.786 2.983 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000180640604 380685090 /nfs/dbraw/zinc/68/50/90/380685090.db2.gz DCZRMEJQSJJWJH-HNNXBMFYSA-N 0 0 285.391 2.944 20 10 CFCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000180666478 380688211 /nfs/dbraw/zinc/68/82/11/380688211.db2.gz NSXLGAWHICYTKT-CSKARUKUSA-N 0 0 275.348 2.902 20 10 CFCDRN CO[C@@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000181258900 380766272 /nfs/dbraw/zinc/76/62/72/380766272.db2.gz GFKKCJNBZXMIRT-ZDUSSCGKSA-N 0 0 290.407 2.500 20 10 CFCDRN CN(c1nc(-c2ccc(O)c(O)c2)cs1)C1CC1 ZINC000181313526 380775389 /nfs/dbraw/zinc/77/53/89/380775389.db2.gz BITKYJWBWQSQLC-UHFFFAOYSA-N 0 0 262.334 2.820 20 10 CFCDRN CC[C@H](C)CN(CC)C(=O)c1c(F)ccc(O)c1O ZINC000295350094 380803832 /nfs/dbraw/zinc/80/38/32/380803832.db2.gz QICGJNDXQGVPSB-VIFPVBQESA-N 0 0 269.316 2.745 20 10 CFCDRN CCC[N@H+](CCCCC(=O)[O-])Cc1ccccc1O ZINC000181551751 380825321 /nfs/dbraw/zinc/82/53/21/380825321.db2.gz GQNJDUCJBRZGBV-UHFFFAOYSA-N 0 0 265.353 2.859 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000287394210 380823027 /nfs/dbraw/zinc/82/30/27/380823027.db2.gz IUACGCAJGVQJBK-SUHUHFCYSA-N 0 0 295.354 2.914 20 10 CFCDRN CC[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000287524475 380855854 /nfs/dbraw/zinc/85/58/54/380855854.db2.gz OSEJPFMKLHAMQC-CYBMUJFWSA-N 0 0 267.344 2.877 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287713587 380917635 /nfs/dbraw/zinc/91/76/35/380917635.db2.gz XTJCBNRHSDCXKK-BPNCWPANSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287735433 380922455 /nfs/dbraw/zinc/92/24/55/380922455.db2.gz PIMHENDCKRZSHU-ZWNOBZJWSA-N 0 0 298.814 2.953 20 10 CFCDRN COc1cc(N(C)CCOC2CCC2)cc(OC)c1OC ZINC000287868987 380961868 /nfs/dbraw/zinc/96/18/68/380961868.db2.gz SDUFZYPMLHWBMB-UHFFFAOYSA-N 0 0 295.379 2.718 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)CF)cc1F ZINC000287818603 380947323 /nfs/dbraw/zinc/94/73/23/380947323.db2.gz TWAZESWADHTRST-LLVKDONJSA-N 0 0 299.365 2.829 20 10 CFCDRN CC(C)(C)OCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000182346240 381069978 /nfs/dbraw/zinc/06/99/78/381069978.db2.gz MBBQPRAWCUKHKP-UHFFFAOYSA-N 0 0 291.391 2.702 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C(C)(C)C1(C)C ZINC000183441991 381273307 /nfs/dbraw/zinc/27/33/07/381273307.db2.gz JRZJTUDGEMQNOT-SNVBAGLBSA-N 0 0 291.391 2.827 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC=CCC1 ZINC000183445947 381273754 /nfs/dbraw/zinc/27/37/54/381273754.db2.gz ONBMVSMKQHERIL-YPMHNXCESA-N 0 0 275.348 2.501 20 10 CFCDRN COc1ncccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296235687 381314182 /nfs/dbraw/zinc/31/41/82/381314182.db2.gz AOJXFXDRRKZTQU-AWEZNQCLSA-N 0 0 284.359 2.615 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(F)c(F)c1[O-] ZINC000296534001 381437159 /nfs/dbraw/zinc/43/71/59/381437159.db2.gz QPMFXEPRGFVXFE-VHSXEESVSA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)cc1 ZINC000184688824 381461088 /nfs/dbraw/zinc/46/10/88/381461088.db2.gz JQOUBLLENJFOJO-CYBMUJFWSA-N 0 0 298.377 2.955 20 10 CFCDRN CCn1ccnc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000296605517 381468453 /nfs/dbraw/zinc/46/84/53/381468453.db2.gz VYEMDGASPGUFGK-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654660 381511755 /nfs/dbraw/zinc/51/17/55/381511755.db2.gz ZHSKWHIMPWQKRS-SMDDNHRTSA-N 0 0 282.815 2.818 20 10 CFCDRN CC/C=C/C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000296656972 381493237 /nfs/dbraw/zinc/49/32/37/381493237.db2.gz ZLEFOJLEHMLHCF-QRGHLMKCSA-N 0 0 263.337 2.796 20 10 CFCDRN CCC[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000297192137 381553757 /nfs/dbraw/zinc/55/37/57/381553757.db2.gz FMIYLNFFLPVSJB-YPMHNXCESA-N 0 0 295.379 2.645 20 10 CFCDRN Cc1cccc(C2(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC000297268152 381555299 /nfs/dbraw/zinc/55/52/99/381555299.db2.gz SGNVAYQINDBWNG-UHFFFAOYSA-N 0 0 280.371 2.925 20 10 CFCDRN CCc1nnc(CN[C@@H]2CCc3cccc(O)c32)s1 ZINC000297461111 381560792 /nfs/dbraw/zinc/56/07/92/381560792.db2.gz XTZKDXZFYUJPIM-SNVBAGLBSA-N 0 0 275.377 2.583 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NOCC2CC2)cc1 ZINC000297460952 381561766 /nfs/dbraw/zinc/56/17/66/381561766.db2.gz QVLXEAHLLGEXLR-UHFFFAOYSA-N 0 0 291.395 2.674 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2ccccn2)C2CC2)cc1 ZINC000298401750 381609754 /nfs/dbraw/zinc/60/97/54/381609754.db2.gz TZVLGWKODOIOPV-UHFFFAOYSA-N 0 0 295.386 2.952 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C[C@H](C)O ZINC000185521144 381657051 /nfs/dbraw/zinc/65/70/51/381657051.db2.gz MKBFCDFETCSWEB-VWYCJHECSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]1CCCCN1C(=O)CSc1nccs1 ZINC000298650952 381700060 /nfs/dbraw/zinc/70/00/60/381700060.db2.gz KBIRMCBIDFXLBG-VIFPVBQESA-N 0 0 256.396 2.636 20 10 CFCDRN CCN(CCO)C(=O)c1sccc1-n1c(C)ccc1C ZINC000298778363 381747442 /nfs/dbraw/zinc/74/74/42/381747442.db2.gz JIHHEQOXJLPJME-UHFFFAOYSA-N 0 0 292.404 2.610 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncc(O)c1 ZINC000355463123 381772761 /nfs/dbraw/zinc/77/27/61/381772761.db2.gz CTOVVHCIAKPBAK-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)NCC2CC2)C2CC2)cc1 ZINC000298891203 381777126 /nfs/dbraw/zinc/77/71/26/381777126.db2.gz ZNXIAEGJOTTZMI-UHFFFAOYSA-N 0 0 287.407 2.837 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186170305 381842178 /nfs/dbraw/zinc/84/21/78/381842178.db2.gz TUVXYGXKZRCDTL-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(F)c(F)c1[O-] ZINC000372980049 381903225 /nfs/dbraw/zinc/90/32/25/381903225.db2.gz MYWAFJJJIJDQAG-WCBMZHEXSA-N 0 0 293.317 2.602 20 10 CFCDRN Cc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000372996341 381906468 /nfs/dbraw/zinc/90/64/68/381906468.db2.gz HYOZQTVYFHRPHY-HNNXBMFYSA-N 0 0 285.391 2.814 20 10 CFCDRN CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1[O-] ZINC000373233445 381955631 /nfs/dbraw/zinc/95/56/31/381955631.db2.gz YFFMPZFSCBRNSV-ODOQXGPZSA-N 0 0 281.783 2.923 20 10 CFCDRN CCn1ncnc1CN1CCCCc2cc(OC)ccc21 ZINC000373276522 381968070 /nfs/dbraw/zinc/96/80/70/381968070.db2.gz CBDMIBRTBDBKPQ-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[C@H]1C ZINC000350081799 382005410 /nfs/dbraw/zinc/00/54/10/382005410.db2.gz PMRVTRIOWNKOAK-ZWNOBZJWSA-N 0 0 271.364 2.694 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H](C)C2)c1O ZINC000374367822 382045346 /nfs/dbraw/zinc/04/53/46/382045346.db2.gz SDZJRDWZFTUGCM-SNVBAGLBSA-N 0 0 297.782 2.717 20 10 CFCDRN Cc1cnn(C2CN(Cc3cc(Cl)cc(C)c3O)C2)c1 ZINC000375840045 382105378 /nfs/dbraw/zinc/10/53/78/382105378.db2.gz KNZIBIOWYUAWOL-UHFFFAOYSA-N 0 0 291.782 2.916 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375301812 382078725 /nfs/dbraw/zinc/07/87/25/382078725.db2.gz HTGKBBDVLKHDIO-OAHLLOKOSA-N 0 0 265.328 2.534 20 10 CFCDRN Fc1cccc(N2CC=C(c3cccnc3)CC2)n1 ZINC000375351174 382081767 /nfs/dbraw/zinc/08/17/67/382081767.db2.gz BELFFFGLYIJSBH-UHFFFAOYSA-N 0 0 255.296 2.909 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCC[C@H](CO)C1 ZINC000377234822 382237511 /nfs/dbraw/zinc/23/75/11/382237511.db2.gz AYBDPJLBFWBIRF-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000293658928 382220703 /nfs/dbraw/zinc/22/07/03/382220703.db2.gz PJPNUHCYQGQNEB-BDAKNGLRSA-N 0 0 273.735 2.699 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(F)cn2)c1 ZINC000301778431 382192594 /nfs/dbraw/zinc/19/25/94/382192594.db2.gz MHCSWLPJZFAMQE-MRVPVSSYSA-N 0 0 263.272 2.503 20 10 CFCDRN C[C@@H](CO)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293711076 382245569 /nfs/dbraw/zinc/24/55/69/382245569.db2.gz USULUQASAMVINS-SECBINFHSA-N 0 0 275.751 2.683 20 10 CFCDRN C[C@H]1[N@H+](Cc2cccc(F)c2[O-])CCC12CCOCC2 ZINC000363870658 382250050 /nfs/dbraw/zinc/25/00/50/382250050.db2.gz WNSSYJREYHQRTP-GFCCVEGCSA-N 0 0 279.355 2.922 20 10 CFCDRN CC(C)=CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000187939123 382304905 /nfs/dbraw/zinc/30/49/05/382304905.db2.gz XXHATDLVCAHRFT-UHFFFAOYSA-N 0 0 279.359 2.657 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000188036143 382330537 /nfs/dbraw/zinc/33/05/37/382330537.db2.gz HTJNDDJQPPZGNI-GYSYKLTISA-N 0 0 267.344 2.733 20 10 CFCDRN Cc1ccc(O)c(CNc2cccc3c2OCC(=O)N3)c1 ZINC000377764032 382338695 /nfs/dbraw/zinc/33/86/95/382338695.db2.gz AYVLVTPCIDVYHJ-UHFFFAOYSA-N 0 0 284.315 2.644 20 10 CFCDRN Cc1nnsc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293991327 382369812 /nfs/dbraw/zinc/36/98/12/382369812.db2.gz SAPMYRBAIPMUEE-UHFFFAOYSA-N 0 0 287.747 2.634 20 10 CFCDRN COc1cccc(CN2CCOC[C@H]2c2ccco2)c1O ZINC000378343711 382440439 /nfs/dbraw/zinc/44/04/39/382440439.db2.gz VXQVXHSNIFVWIZ-ZDUSSCGKSA-N 0 0 289.331 2.567 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000378488527 382471222 /nfs/dbraw/zinc/47/12/22/382471222.db2.gz BFHNILLFJPJRCH-HNNXBMFYSA-N 0 0 292.398 2.982 20 10 CFCDRN COc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000294202611 382458275 /nfs/dbraw/zinc/45/82/75/382458275.db2.gz XWBQMFORMHLKFC-IAGOWNOFSA-N 0 0 289.375 2.544 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000378538101 382479276 /nfs/dbraw/zinc/47/92/76/382479276.db2.gz ZZKJCYBEOINOKU-RISCZKNCSA-N 0 0 280.799 2.572 20 10 CFCDRN COC[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000294256520 382479818 /nfs/dbraw/zinc/47/98/18/382479818.db2.gz QNFAGWRKHQHEDJ-AWEZNQCLSA-N 0 0 269.772 2.904 20 10 CFCDRN Oc1ccc(F)cc1CNc1ccc(OC2COC2)cc1 ZINC000188850651 382491401 /nfs/dbraw/zinc/49/14/01/382491401.db2.gz HNVRALUVWDNISO-UHFFFAOYSA-N 0 0 289.306 2.921 20 10 CFCDRN CCn1ccnc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000294694739 382525203 /nfs/dbraw/zinc/52/52/03/382525203.db2.gz ALVQIBVIUMIFEV-GFCCVEGCSA-N 0 0 290.386 2.959 20 10 CFCDRN CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294371291 382511748 /nfs/dbraw/zinc/51/17/48/382511748.db2.gz UHHORHVMFZMZMC-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+](C)CC2(CO)CC2)c1O ZINC000188962204 382513269 /nfs/dbraw/zinc/51/32/69/382513269.db2.gz PAKKQCICODTQDM-UHFFFAOYSA-N 0 0 269.772 2.558 20 10 CFCDRN CCC[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000294658453 382519124 /nfs/dbraw/zinc/51/91/24/382519124.db2.gz IBDVYFPTJDNZEP-MRXNPFEDSA-N 0 0 292.423 2.916 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC1CC(F)(F)C1 ZINC000295009703 382562943 /nfs/dbraw/zinc/56/29/43/382562943.db2.gz SKCVUJFRYGQDKO-UHFFFAOYSA-N 0 0 282.334 2.997 20 10 CFCDRN CCN(CC)c1ccc(CNCc2nnc(C3CC3)[nH]2)cc1 ZINC000294838930 382534110 /nfs/dbraw/zinc/53/41/10/382534110.db2.gz QUHPYRIJDYSVIT-UHFFFAOYSA-N 0 0 299.422 2.818 20 10 CFCDRN CC[C@@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294861239 382534270 /nfs/dbraw/zinc/53/42/70/382534270.db2.gz GZGQVTYVOXOISC-HNNXBMFYSA-N 0 0 281.327 2.889 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295295847 382610609 /nfs/dbraw/zinc/61/06/09/382610609.db2.gz JMDZQGPVYXSUEU-SNVBAGLBSA-N 0 0 273.735 2.796 20 10 CFCDRN COC(=O)c1cnc(SCc2cc(OC)ccn2)s1 ZINC000295163442 382578029 /nfs/dbraw/zinc/57/80/29/382578029.db2.gz HFUDSHXPPJBVPE-UHFFFAOYSA-N 0 0 296.373 2.626 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000252060302 383403549 /nfs/dbraw/zinc/40/35/49/383403549.db2.gz ZTKUYBZJIVQJSQ-WTKQLKIWSA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000252805595 383435474 /nfs/dbraw/zinc/43/54/74/383435474.db2.gz GANQILYAQULYFL-DCAQKATOSA-N 0 0 253.317 2.607 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2cc(F)ccc2F)cnn1C ZINC000255537235 383483090 /nfs/dbraw/zinc/48/30/90/383483090.db2.gz HOFNCRLWBYKCGN-DAXSKMNVSA-N 0 0 291.301 2.683 20 10 CFCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccnc1 ZINC000254977892 383473031 /nfs/dbraw/zinc/47/30/31/383473031.db2.gz YPGGSQLMSSXTSE-HJWRWDBZSA-N 0 0 290.326 2.701 20 10 CFCDRN Cc1c(/C=C\C(=O)N(C)c2ccc(F)c(F)c2)cnn1C ZINC000255181939 383477448 /nfs/dbraw/zinc/47/74/48/383477448.db2.gz ITYGUAWVQGWNNM-DAXSKMNVSA-N 0 0 291.301 2.683 20 10 CFCDRN O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc(O)c1O ZINC000529828674 383758978 /nfs/dbraw/zinc/75/89/78/383758978.db2.gz CTFYKIVKDACYKC-HNNXBMFYSA-N 0 0 298.342 2.764 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000266510068 384189316 /nfs/dbraw/zinc/18/93/16/384189316.db2.gz MAJATUMFURANGS-JKSUJKDBSA-N 0 0 296.370 2.823 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCC1 ZINC000266684473 384221449 /nfs/dbraw/zinc/22/14/49/384221449.db2.gz DGWFFYCVJGGYKF-UHFFFAOYSA-N 0 0 274.364 2.623 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3(C)CCC3)ccc21 ZINC000267331895 384359876 /nfs/dbraw/zinc/35/98/76/384359876.db2.gz HXWCVECEZSAHRQ-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN CCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000267220904 384327467 /nfs/dbraw/zinc/32/74/67/384327467.db2.gz WDMLPASKVRUJRC-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN CCCN(CC(F)F)C(=O)c1ccc(C)c(O)c1O ZINC000267561165 384414051 /nfs/dbraw/zinc/41/40/51/384414051.db2.gz GMSIHKMMFLIUAM-UHFFFAOYSA-N 0 0 273.279 2.524 20 10 CFCDRN CC(C)(C)c1cnc(SCCn2cncn2)s1 ZINC000268371440 384617122 /nfs/dbraw/zinc/61/71/22/384617122.db2.gz YXQHRPIKMUKTBW-UHFFFAOYSA-N 0 0 268.411 2.824 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC1(Cl)Cl ZINC000268649186 384641706 /nfs/dbraw/zinc/64/17/06/384641706.db2.gz QYLNSVAEDLSTBN-SECBINFHSA-N 0 0 274.147 2.544 20 10 CFCDRN COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1C ZINC000268850610 384675403 /nfs/dbraw/zinc/67/54/03/384675403.db2.gz PMQYAHLJJJNANC-AWEZNQCLSA-N 0 0 271.364 2.894 20 10 CFCDRN C[C@H]1CC/C(=C\C(=O)NCCc2ccc(N)cc2)C1 ZINC000269145245 384730651 /nfs/dbraw/zinc/73/06/51/384730651.db2.gz CJKLEZNKUCNCQN-SEVUAYLXSA-N 0 0 258.365 2.674 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3cccc(F)n3)ccc21 ZINC000269943114 384913012 /nfs/dbraw/zinc/91/30/12/384913012.db2.gz NTMIDLDTADXOPW-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1ccccc1 ZINC000281747070 385202154 /nfs/dbraw/zinc/20/21/54/385202154.db2.gz JAKZYAAZNOZADQ-UHFFFAOYSA-N 0 0 286.375 2.549 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1[O-] ZINC000282299403 385277849 /nfs/dbraw/zinc/27/78/49/385277849.db2.gz COXHYKTWWHHCQC-QMTHXVAHSA-N 0 0 289.354 2.993 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)OC ZINC000282347459 385288507 /nfs/dbraw/zinc/28/85/07/385288507.db2.gz AGVPAFUZZOLIQO-GFCCVEGCSA-N 0 0 265.353 2.556 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnnc1 ZINC000282620000 385354630 /nfs/dbraw/zinc/35/46/30/385354630.db2.gz ZTSYJKIIGSXHJV-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN CCCC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000282722701 385377409 /nfs/dbraw/zinc/37/74/09/385377409.db2.gz LQTGGRFCVUBAPA-NEPJUHHUSA-N 0 0 279.380 2.971 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc(C)ns1 ZINC000271366150 385380746 /nfs/dbraw/zinc/38/07/46/385380746.db2.gz PHOMPGVTDGVRJJ-UHFFFAOYSA-N 0 0 276.409 2.939 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000271841744 385393472 /nfs/dbraw/zinc/39/34/72/385393472.db2.gz QGDKFCMOFGTQSB-UHFFFAOYSA-N 0 0 277.364 2.546 20 10 CFCDRN COc1ccc(CN(C)c2ccc(OC)c(Cl)c2)nn1 ZINC000283325044 385456964 /nfs/dbraw/zinc/45/69/64/385456964.db2.gz ZWZJYNGBDJXVTP-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN Cc1noc(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC000272252263 385487699 /nfs/dbraw/zinc/48/76/99/385487699.db2.gz IPEPERWQDVLCRS-UHFFFAOYSA-N 0 0 291.326 2.602 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000272411132 385530762 /nfs/dbraw/zinc/53/07/62/385530762.db2.gz KVWVDPKQVVACHO-SWLSCSKDSA-N 0 0 297.395 2.676 20 10 CFCDRN CC(C)[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272381728 385524883 /nfs/dbraw/zinc/52/48/83/385524883.db2.gz FQVRINSWPOCEJY-IOCXFXADSA-N 0 0 263.337 2.614 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1ccc(F)cc1[O-] ZINC000285456620 385555807 /nfs/dbraw/zinc/55/58/07/385555807.db2.gz ACMXWPOMMAOIOO-BXUZGUMPSA-N 0 0 277.343 2.857 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(F)cc1[O-] ZINC000285456625 385555830 /nfs/dbraw/zinc/55/58/30/385555830.db2.gz ACMXWPOMMAOIOO-SMDDNHRTSA-N 0 0 277.343 2.857 20 10 CFCDRN CCOCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285771266 385556834 /nfs/dbraw/zinc/55/68/34/385556834.db2.gz SVOWXCIEKSTWAB-CYBMUJFWSA-N 0 0 255.333 2.999 20 10 CFCDRN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)cc1[O-] ZINC000285742354 385557222 /nfs/dbraw/zinc/55/72/22/385557222.db2.gz RENSEASQRBZUPL-ZDUSSCGKSA-N 0 0 268.376 2.912 20 10 CFCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285906235 385558944 /nfs/dbraw/zinc/55/89/44/385558944.db2.gz CYGVNLMLWRJTBG-RISCZKNCSA-N 0 0 296.386 2.877 20 10 CFCDRN CCC[C@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286084973 385559430 /nfs/dbraw/zinc/55/94/30/385559430.db2.gz MNBNBFIPARVWFM-AAEUAGOBSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(F)cc1[O-] ZINC000286140231 385564181 /nfs/dbraw/zinc/56/41/81/385564181.db2.gz OKKRGQICVQDSBM-SMDDNHRTSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000286250814 385577791 /nfs/dbraw/zinc/57/77/91/385577791.db2.gz UIPPHDFIVRVIMG-GXFFZTMASA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H]1C[C@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272788918 385616125 /nfs/dbraw/zinc/61/61/25/385616125.db2.gz JLFYZHPFDXHCCA-OCCSQVGLSA-N 0 0 277.364 2.604 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)c(O)c1C ZINC000273423133 385682669 /nfs/dbraw/zinc/68/26/69/385682669.db2.gz SOGZTTHOMWHVDM-LBPRGKRZSA-N 0 0 259.353 2.593 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)SC)c1 ZINC000273447806 385682756 /nfs/dbraw/zinc/68/27/56/385682756.db2.gz FLVYNACPRQGTFN-NXEZZACHSA-N 0 0 283.393 2.581 20 10 CFCDRN Cc1csc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000273432163 385683406 /nfs/dbraw/zinc/68/34/06/385683406.db2.gz VWJYVFPOOAMMGK-VIFPVBQESA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273485521 385684183 /nfs/dbraw/zinc/68/41/83/385684183.db2.gz NDAVZQOSHBBFPI-WOPDTQHZSA-N 0 0 267.344 2.997 20 10 CFCDRN CCCCOCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273564511 385689405 /nfs/dbraw/zinc/68/94/05/385689405.db2.gz IZRGFFOLHYHFKG-LBPRGKRZSA-N 0 0 295.379 2.646 20 10 CFCDRN CC[C@@H](C)CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000286805436 385714661 /nfs/dbraw/zinc/71/46/61/385714661.db2.gz RGNSTCYTMXNEMN-LLVKDONJSA-N 0 0 265.353 2.583 20 10 CFCDRN CCOC1CC(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000287250861 385812858 /nfs/dbraw/zinc/81/28/58/385812858.db2.gz UBCQNDGCYLUPCM-UHFFFAOYSA-N 0 0 290.407 2.526 20 10 CFCDRN CC[C@@H](c1ccccc1O)N1CCn2cc(C)nc2C1 ZINC000372601467 393452562 /nfs/dbraw/zinc/45/25/62/393452562.db2.gz SOAAGZYARBIUGD-AWEZNQCLSA-N 0 0 271.364 2.864 20 10 CFCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cncc(O)c1 ZINC000182159012 393507867 /nfs/dbraw/zinc/50/78/67/393507867.db2.gz KRNQMYCOXHOMSW-CMDGGOBGSA-N 0 0 298.342 2.862 20 10 CFCDRN C[N@H+](CCC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000108245187 393873864 /nfs/dbraw/zinc/87/38/64/393873864.db2.gz SPNYYVWMUMVGRY-UHFFFAOYSA-N 0 0 276.380 2.583 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccn1 ZINC000119444136 393919110 /nfs/dbraw/zinc/91/91/10/393919110.db2.gz UWKTXIGAUXQETH-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN COCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000348634619 393955360 /nfs/dbraw/zinc/95/53/60/393955360.db2.gz JTRRFFQJOVMARH-UHFFFAOYSA-N 0 0 288.391 2.776 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCCO1 ZINC000348635713 393955692 /nfs/dbraw/zinc/95/56/92/393955692.db2.gz SQYQVEKGQOYWSA-ZDUSSCGKSA-N 0 0 286.375 2.672 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](CO)c3ccccc32)c1 ZINC000492802793 394076784 /nfs/dbraw/zinc/07/67/84/394076784.db2.gz FEPBVIBWCKAQJN-IDTUSYRASA-N 0 0 294.354 2.526 20 10 CFCDRN CCC[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000126517545 394029568 /nfs/dbraw/zinc/02/95/68/394029568.db2.gz ZDQMANCNVHSVCX-NSHDSACASA-N 0 0 263.337 2.893 20 10 CFCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1cnccn1 ZINC000492974987 394113574 /nfs/dbraw/zinc/11/35/74/394113574.db2.gz SPAKEIKEOGXEIJ-FPLPWBNLSA-N 0 0 292.342 2.645 20 10 CFCDRN COc1ncc(/C=C/C(=O)N2C[C@H](C)c3ccccc32)cn1 ZINC000493009004 394123059 /nfs/dbraw/zinc/12/30/59/394123059.db2.gz VDBVUSRAIORHHV-GUOLPTJISA-N 0 0 295.342 2.649 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nncn1CC)c1cccc(Cl)c1[O-] ZINC000287547424 394207182 /nfs/dbraw/zinc/20/71/82/394207182.db2.gz FKHCUHCDRKFWOH-GFCCVEGCSA-N 0 0 294.786 2.898 20 10 CFCDRN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654639 394232633 /nfs/dbraw/zinc/23/26/33/394232633.db2.gz ZHSKWHIMPWQKRS-BXUZGUMPSA-N 0 0 282.815 2.818 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc(F)n2)c1 ZINC000493507864 394262021 /nfs/dbraw/zinc/26/20/21/394262021.db2.gz ALVWEGMMHDNRRN-VOTSOKGWSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccc(F)n1 ZINC000493565198 394279512 /nfs/dbraw/zinc/27/95/12/394279512.db2.gz WUAZPPXHDJFCLN-SREVYHEPSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C/c1cncs1 ZINC000493819558 394322729 /nfs/dbraw/zinc/32/27/29/394322729.db2.gz KFSOESNHWAXLAB-AATRIKPKSA-N 0 0 259.334 2.523 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC3(CCC3)C2)c(O)c1O ZINC000366246332 292051022 /nfs/dbraw/zinc/05/10/22/292051022.db2.gz FQAHRPHGEWCWDZ-UHFFFAOYSA-N 0 0 275.348 2.813 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c(O)c1O ZINC000182499779 292052780 /nfs/dbraw/zinc/05/27/80/292052780.db2.gz MZOZSMHCPARLRG-MWLCHTKSSA-N 0 0 263.337 2.667 20 10 CFCDRN COc1c(O)c(CN2CCC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000296119844 286187138 /nfs/dbraw/zinc/18/71/38/286187138.db2.gz SYBCMIQDBZKZRV-AWEZNQCLSA-N 0 0 298.314 2.633 20 10 CFCDRN CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000286842965 286908014 /nfs/dbraw/zinc/90/80/14/286908014.db2.gz FHDMAVOCICYWQG-CYBMUJFWSA-N 0 0 298.814 2.859 20 10 CFCDRN Nc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000019264876 170764075 /nfs/dbraw/zinc/76/40/75/170764075.db2.gz HAMFWIAFAMGAHH-UHFFFAOYSA-N 0 0 284.403 2.896 20 10 CFCDRN Nc1ccc(CC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000022167140 171366239 /nfs/dbraw/zinc/36/62/39/171366239.db2.gz BWNRVXUJCDPFFM-UHFFFAOYSA-N 0 0 262.259 2.728 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000033863759 171823261 /nfs/dbraw/zinc/82/32/61/171823261.db2.gz QCMBMCWKNPFWGR-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnnc(C)c1 ZINC000352126445 228185472 /nfs/dbraw/zinc/18/54/72/228185472.db2.gz TVEYOWWWZYVUGH-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273598659 287577115 /nfs/dbraw/zinc/57/71/15/287577115.db2.gz RJSIHLIZPJIQDV-RYUDHWBXSA-N 0 0 295.383 2.681 20 10 CFCDRN O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc(O)c1O ZINC000366699733 263151243 /nfs/dbraw/zinc/15/12/43/263151243.db2.gz JLOATGCCGITGJM-JOCQHMNTSA-N 0 0 283.327 2.774 20 10 CFCDRN O=C(C[C@H]1CCCC1(F)F)NCc1ccc(O)c(O)c1 ZINC000934945230 649859866 /nfs/dbraw/zinc/85/98/66/649859866.db2.gz YFYOLDVXXOGIGN-SNVBAGLBSA-N 0 0 285.290 2.540 20 10 CFCDRN OC[C@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000367791378 267117873 /nfs/dbraw/zinc/11/78/73/267117873.db2.gz FHLYTVKSPNGFCW-ZDUSSCGKSA-N 0 0 269.344 2.563 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369669434 267258366 /nfs/dbraw/zinc/25/83/66/267258366.db2.gz ABGKYQFZTBGBFZ-TVQRCGJNSA-N 0 0 285.746 2.796 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2OCCc3ccsc32)cc1 ZINC000370722947 267341731 /nfs/dbraw/zinc/34/17/31/267341731.db2.gz QFLCACFYBYVLBU-ZDUSSCGKSA-N 0 0 288.372 2.973 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3nccs3)C2)cc1 ZINC000373220675 267651258 /nfs/dbraw/zinc/65/12/58/267651258.db2.gz ZGBAFQINZCYYJH-UHFFFAOYSA-N 0 0 299.399 2.749 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748054 277442328 /nfs/dbraw/zinc/44/23/28/277442328.db2.gz ATWNSSVQSSCKLB-JQWIXIFHSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000283398877 278355623 /nfs/dbraw/zinc/35/56/23/278355623.db2.gz GYXQWNXWRNWAOI-SYTKJHMZSA-N 0 0 267.332 2.963 20 10 CFCDRN CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000286842966 288041338 /nfs/dbraw/zinc/04/13/38/288041338.db2.gz FHDMAVOCICYWQG-ZDUSSCGKSA-N 0 0 298.814 2.859 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287726606 288058832 /nfs/dbraw/zinc/05/88/32/288058832.db2.gz OXUXHHQJAAVGOA-CABZTGNLSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc(Cl)c1[O-] ZINC000290261147 288092176 /nfs/dbraw/zinc/09/21/76/288092176.db2.gz VCOMHLKNBWUHSL-AVGNSLFASA-N 0 0 285.771 2.500 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191215839 278994150 /nfs/dbraw/zinc/99/41/50/278994150.db2.gz OBIKLHICEVSMMQ-ZJUUUORDSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H](c1cnccn1)N1CCOc2cc(N(C)C)ccc21 ZINC000184700504 290277258 /nfs/dbraw/zinc/27/72/58/290277258.db2.gz AHNMWCQUIRGWFE-GFCCVEGCSA-N 0 0 284.363 2.503 20 10 CFCDRN CO[C@@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000291110763 294076407 /nfs/dbraw/zinc/07/64/07/294076407.db2.gz FJTIBFQSMVLMAB-BONVTDFDSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000296508310 298325386 /nfs/dbraw/zinc/32/53/86/298325386.db2.gz PJZOQEQSJYBMQB-RKDXNWHRSA-N 0 0 273.323 2.871 20 10 CFCDRN CC(C)NC(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000055026011 329673049 /nfs/dbraw/zinc/67/30/49/329673049.db2.gz QNDXKSSMESKGOQ-UHFFFAOYSA-N 0 0 298.333 2.565 20 10 CFCDRN Cc1nnc(COc2ccc3c(c2)c(C)c(C)n3C)n1C ZINC000421186388 329806866 /nfs/dbraw/zinc/80/68/66/329806866.db2.gz FGIAOYPYQYMADZ-UHFFFAOYSA-N 0 0 284.363 2.811 20 10 CFCDRN CCn1ncc(CN[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000527922209 330295908 /nfs/dbraw/zinc/29/59/08/330295908.db2.gz CUECXALKQSFDLP-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000528002825 330300186 /nfs/dbraw/zinc/30/01/86/330300186.db2.gz MPCOKCGBBGUUKW-YQEZVOHVSA-N 0 0 267.344 2.994 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)c(C)nn1 ZINC000490081982 332080564 /nfs/dbraw/zinc/08/05/64/332080564.db2.gz CCHZZJBXTFDJEY-UHFFFAOYSA-N 0 0 280.375 2.928 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1cccc(OC)c1 ZINC000491115627 332151074 /nfs/dbraw/zinc/15/10/74/332151074.db2.gz AQQZLWNNPCJOPZ-BQYQJAHWSA-N 0 0 283.331 2.552 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccn1)c1cccc(C)c1 ZINC000491123031 332153042 /nfs/dbraw/zinc/15/30/42/332153042.db2.gz ZQXDLBZKTDGDAY-FPLPWBNLSA-N 0 0 267.332 2.851 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C/c2cnccn2)c1C ZINC000491479814 332219228 /nfs/dbraw/zinc/21/92/28/332219228.db2.gz SXDDRFXQEORRCQ-BQYQJAHWSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cnccn1)C[C@@H](C)O2 ZINC000492052583 332380791 /nfs/dbraw/zinc/38/07/91/332380791.db2.gz VNQROWCIKSLNGD-DIECRNLCSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(Cl)nn2)cn1 ZINC000492511250 332401007 /nfs/dbraw/zinc/40/10/07/332401007.db2.gz XLGRNLISUKGAGQ-YVMONPNESA-N 0 0 288.738 2.510 20 10 CFCDRN COc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)CCCC2 ZINC000492869062 332416830 /nfs/dbraw/zinc/41/68/30/332416830.db2.gz UBSHBDLIOYFOLN-SOFGYWHQSA-N 0 0 297.358 2.801 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cn1 ZINC000186430106 333160706 /nfs/dbraw/zinc/16/07/06/333160706.db2.gz IDHCHPXZERZYRY-FNORWQNLSA-N 0 0 289.360 2.531 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C=C/c1scnc1C ZINC000186886282 333166246 /nfs/dbraw/zinc/16/62/46/333166246.db2.gz JFFPWXIMKBWQMZ-VOTSOKGWSA-N 0 0 289.360 2.531 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCCCO)c1[O-] ZINC000227082636 333275850 /nfs/dbraw/zinc/27/58/50/333275850.db2.gz ATTCZXPTJHCGEB-UHFFFAOYSA-N 0 0 299.798 2.843 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccnn1 ZINC000529295355 333482327 /nfs/dbraw/zinc/48/23/27/333482327.db2.gz BTJMYLRASXKGAG-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1 ZINC000254974524 334497202 /nfs/dbraw/zinc/49/72/02/334497202.db2.gz LOLMOUNNWWDBFP-SREVYHEPSA-N 0 0 297.314 2.974 20 10 CFCDRN CC(C)[C@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372290246 519810513 /nfs/dbraw/zinc/81/05/13/519810513.db2.gz WJRRYRXCIMABNT-LBPRGKRZSA-N 0 0 260.381 2.587 20 10 CFCDRN CCN(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000054109924 520235933 /nfs/dbraw/zinc/23/59/33/520235933.db2.gz HYTKQMPSCNOVTR-UHFFFAOYSA-N 0 0 277.195 2.740 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(F)c[nH]1 ZINC000352079968 533970909 /nfs/dbraw/zinc/97/09/09/533970909.db2.gz SKECWFSTOOTCFM-UHFFFAOYSA-N 0 0 285.322 2.884 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2nccs2)c1O ZINC000079474123 518283747 /nfs/dbraw/zinc/28/37/47/518283747.db2.gz JEEXXHJOHJXJBJ-UHFFFAOYSA-N 0 0 294.351 2.822 20 10 CFCDRN CC(C)(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(=O)[O-] ZINC000277504295 518918204 /nfs/dbraw/zinc/91/82/04/518918204.db2.gz XSWHMYAWEASIRE-CQSZACIVSA-N 0 0 291.391 2.848 20 10 CFCDRN CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000280547368 518937238 /nfs/dbraw/zinc/93/72/38/518937238.db2.gz NLRSCFWBGOBQHB-LLVKDONJSA-N 0 0 277.364 2.996 20 10 CFCDRN CC(C)(C)c1cc(C(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000236777641 518996196 /nfs/dbraw/zinc/99/61/96/518996196.db2.gz BZPKOCUPJAYDPW-UHFFFAOYSA-N 0 0 258.325 2.542 20 10 CFCDRN CC(C)(C)c1nnc(NC(=O)Cc2ccc(N)cc2)s1 ZINC000236657352 519123062 /nfs/dbraw/zinc/12/30/62/519123062.db2.gz FDLAVFYLMWZOQK-UHFFFAOYSA-N 0 0 290.392 2.599 20 10 CFCDRN CC(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248264813 519575940 /nfs/dbraw/zinc/57/59/40/519575940.db2.gz XKZBSFRJSKTUQB-OAHLLOKOSA-N 0 0 291.391 2.946 20 10 CFCDRN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000291460801 519628084 /nfs/dbraw/zinc/62/80/84/519628084.db2.gz DDDOPPFELRQKCP-LLVKDONJSA-N 0 0 270.804 2.864 20 10 CFCDRN CC(C)C[C@@H](C)OCCC(=O)NCCc1ccc(N)cc1 ZINC000236745317 519773776 /nfs/dbraw/zinc/77/37/76/519773776.db2.gz WTLABYHVSOSPSG-CQSZACIVSA-N 0 0 292.423 2.769 20 10 CFCDRN CC(C)Oc1cccc(CC(=O)NCc2ccc(N)cc2)c1 ZINC000296878396 519782632 /nfs/dbraw/zinc/78/26/32/519782632.db2.gz FGQVTVCISDUNGV-UHFFFAOYSA-N 0 0 298.386 2.915 20 10 CFCDRN CC(C)Oc1cncc(N(C)Cc2ccccc2O)n1 ZINC000302612510 519785595 /nfs/dbraw/zinc/78/55/95/519785595.db2.gz FHDZYPYQCIEXCP-UHFFFAOYSA-N 0 0 273.336 2.606 20 10 CFCDRN CC(C)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000236783686 519801774 /nfs/dbraw/zinc/80/17/74/519801774.db2.gz GDSCONLWQHITJC-HNNXBMFYSA-N 0 0 260.381 2.848 20 10 CFCDRN CC(C)[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000291552111 519821894 /nfs/dbraw/zinc/82/18/94/519821894.db2.gz WRXWOQSGTLUHIA-INIZCTEOSA-N 0 0 292.423 2.507 20 10 CFCDRN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000171123287 519971518 /nfs/dbraw/zinc/97/15/18/519971518.db2.gz SYEWNMZEQJFMSD-UHFFFAOYSA-N 0 0 281.375 2.832 20 10 CFCDRN CCN(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066978944 520184846 /nfs/dbraw/zinc/18/48/46/520184846.db2.gz FWBLJMAAAZYCAH-UHFFFAOYSA-N 0 0 281.375 2.833 20 10 CFCDRN CC1(C)CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000194368268 520309170 /nfs/dbraw/zinc/30/91/70/520309170.db2.gz OANRSLLHCZGDLT-GFCCVEGCSA-N 0 0 277.364 2.930 20 10 CFCDRN CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748398 520735606 /nfs/dbraw/zinc/73/56/06/520735606.db2.gz ZCQUOPUYBRFXEU-RYUDHWBXSA-N 0 0 268.376 2.912 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1 ZINC000170794327 520900587 /nfs/dbraw/zinc/90/05/87/520900587.db2.gz XDHACQZKSMRGPG-OAHLLOKOSA-N 0 0 290.407 2.576 20 10 CFCDRN CCC[C@H](C(=O)OCC)N(C)Cc1ccccc1O ZINC000077284297 520991352 /nfs/dbraw/zinc/99/13/52/520991352.db2.gz IBLNDRPSFOSOBL-CYBMUJFWSA-N 0 0 265.353 2.556 20 10 CFCDRN CCC(C)(C)CNC(=O)N(C)Cc1ccccc1O ZINC000190765093 521283746 /nfs/dbraw/zinc/28/37/46/521283746.db2.gz YSIYRFRENVXFBD-UHFFFAOYSA-N 0 0 264.369 2.970 20 10 CFCDRN CCC[C@](C)(NCc1cccc(OCC)c1O)C(=O)OC ZINC000180036283 521284416 /nfs/dbraw/zinc/28/44/16/521284416.db2.gz NQUXEFIAXAPSBY-INIZCTEOSA-N 0 0 295.379 2.612 20 10 CFCDRN CCC[C@]1(COC)CCCN1C(=O)c1cccc(O)c1O ZINC000278107964 521322088 /nfs/dbraw/zinc/32/20/88/521322088.db2.gz RHGVDHFKMJYDHF-MRXNPFEDSA-N 0 0 293.363 2.519 20 10 CFCDRN CCN(Cc1nc(C2CC2)no1)c1ccc(OC)cc1 ZINC000299366936 521448010 /nfs/dbraw/zinc/44/80/10/521448010.db2.gz JXHMEPSDMYNECF-UHFFFAOYSA-N 0 0 273.336 2.982 20 10 CFCDRN CCCN(CCc1ccccn1)C(=O)Cc1ccc(N)cc1 ZINC000286336357 521672288 /nfs/dbraw/zinc/67/22/88/521672288.db2.gz ZBDVQPCJZXAXDN-UHFFFAOYSA-N 0 0 297.402 2.688 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCO1 ZINC000170731903 521687808 /nfs/dbraw/zinc/68/78/08/521687808.db2.gz YXUQVMTUHVYGIJ-CQSZACIVSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1n[nH]c(C)c1C ZINC000265419222 521689452 /nfs/dbraw/zinc/68/94/52/521689452.db2.gz PXKWVPXPTWHAHN-UHFFFAOYSA-N 0 0 287.363 2.785 20 10 CFCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186382676 521795714 /nfs/dbraw/zinc/79/57/14/521795714.db2.gz XRLJBJZCFSTLAQ-SDDRHHMPSA-N 0 0 279.380 2.827 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278236330 521867908 /nfs/dbraw/zinc/86/79/08/521867908.db2.gz NKCVXSGCJUHCOV-ZJUUUORDSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000278947606 521876098 /nfs/dbraw/zinc/87/60/98/521876098.db2.gz YXRFOJAWEZGADI-UHFFFAOYSA-N 0 0 294.351 2.979 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000278465733 521879128 /nfs/dbraw/zinc/87/91/28/521879128.db2.gz GGHIOBRJLYIOGT-LLVKDONJSA-N 0 0 278.308 2.507 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278921096 521881344 /nfs/dbraw/zinc/88/13/44/521881344.db2.gz UUENNCOFDGYROM-UMSPYCQHSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@H](C)[C@H](CNC(=O)N(C)Cc1ccccc1O)OC ZINC000298065854 521940387 /nfs/dbraw/zinc/94/03/87/521940387.db2.gz JZPOJXHTSQNBAN-WFASDCNBSA-N 0 0 294.395 2.595 20 10 CFCDRN CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278291842 521970997 /nfs/dbraw/zinc/97/09/97/521970997.db2.gz UXRAKNQHVGYFKK-SNVBAGLBSA-N 0 0 282.340 2.787 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC=C(C)C)c1 ZINC000276946956 522137035 /nfs/dbraw/zinc/13/70/35/522137035.db2.gz UWZLBOIAHRXKJA-NSHDSACASA-N 0 0 263.337 2.796 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1 ZINC000096946084 522165628 /nfs/dbraw/zinc/16/56/28/522165628.db2.gz WACUEQSZLWADEU-UHFFFAOYSA-N 0 0 298.386 2.659 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000248145941 522168567 /nfs/dbraw/zinc/16/85/67/522168567.db2.gz VTSBGFFWZUUWRO-UHFFFAOYSA-N 0 0 298.390 2.625 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ncoc2C2CC2)cc1 ZINC000292899472 522170876 /nfs/dbraw/zinc/17/08/76/522170876.db2.gz XJTODVCSHGUIAR-UHFFFAOYSA-N 0 0 299.374 2.890 20 10 CFCDRN CC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172690832 522180255 /nfs/dbraw/zinc/18/02/55/522180255.db2.gz NHZBOBDUHAQVTF-CYBMUJFWSA-N 0 0 273.380 2.661 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2CC(F)(F)C2)cc1 ZINC000291670197 522193241 /nfs/dbraw/zinc/19/32/41/522193241.db2.gz MGZVEGYUIPTZFW-UHFFFAOYSA-N 0 0 297.349 2.597 20 10 CFCDRN CC[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])OC ZINC000290225910 522197553 /nfs/dbraw/zinc/19/75/53/522197553.db2.gz RGQYBSYYUUXGTH-YPMHNXCESA-N 0 0 255.333 2.997 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC2(C)C)cc1 ZINC000287501805 522197926 /nfs/dbraw/zinc/19/79/26/522197926.db2.gz VXTWTPRSXUQVGB-CQSZACIVSA-N 0 0 275.396 2.740 20 10 CFCDRN CN(C)c1ccc(CNc2ccnc3c2cnn3C)cc1 ZINC000278721065 522214141 /nfs/dbraw/zinc/21/41/41/522214141.db2.gz PAKLKMNVZCVKAB-UHFFFAOYSA-N 0 0 281.363 2.646 20 10 CFCDRN CN(C)c1ccc(CNc2ncncc2Cl)cc1 ZINC000302549832 522214282 /nfs/dbraw/zinc/21/42/82/522214282.db2.gz JPCGSKPVXLUYMP-UHFFFAOYSA-N 0 0 262.744 2.808 20 10 CFCDRN CN(C)c1ccc(CNc2cccc(CO)c2)cc1 ZINC000037048361 522215676 /nfs/dbraw/zinc/21/56/76/522215676.db2.gz CKJRCGFLLJHMBN-UHFFFAOYSA-N 0 0 256.349 2.857 20 10 CFCDRN CN(C)c1ccc(OCCO[C@H]2CCCCO2)cc1 ZINC000289370708 522238962 /nfs/dbraw/zinc/23/89/62/522238962.db2.gz KADIXOSASALFTK-HNNXBMFYSA-N 0 0 265.353 2.675 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)c1ccccc1 ZINC000279827187 522255761 /nfs/dbraw/zinc/25/57/61/522255761.db2.gz YQFJKPDYHYEXRO-QGZVFWFLSA-N 0 0 298.386 2.685 20 10 CFCDRN COC(=O)c1cnc(SCOC2CCC2)s1 ZINC000295360998 522341728 /nfs/dbraw/zinc/34/17/28/522341728.db2.gz ROPFKQRTQDCSAP-UHFFFAOYSA-N 0 0 259.352 2.548 20 10 CFCDRN COc1cc(N(C)CC2CCC2)cc(OC)c1OC ZINC000173797836 522619301 /nfs/dbraw/zinc/61/93/01/522619301.db2.gz QNIQILGXPLCMIE-UHFFFAOYSA-N 0 0 265.353 2.949 20 10 CFCDRN COC(=O)C(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000275094187 522746699 /nfs/dbraw/zinc/74/66/99/522746699.db2.gz MUDCZAKKHAUOHI-SSDOTTSWSA-N 0 0 287.406 2.663 20 10 CFCDRN COc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000274563462 522747128 /nfs/dbraw/zinc/74/71/28/522747128.db2.gz BQNIWIPQRBFTKQ-UHFFFAOYSA-N 0 0 284.363 2.698 20 10 CFCDRN CCc1occc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000280466903 523016535 /nfs/dbraw/zinc/01/65/35/523016535.db2.gz XZZWBKDJSMDCQD-UHFFFAOYSA-N 0 0 272.348 2.838 20 10 CFCDRN CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278465654 523151080 /nfs/dbraw/zinc/15/10/80/523151080.db2.gz GCWWBBPNEFEEAW-CMPLNLGQSA-N 0 0 294.351 2.977 20 10 CFCDRN CCn1c(CC(C)C)nnc1N(C)Cc1ccccc1O ZINC000290840296 523173124 /nfs/dbraw/zinc/17/31/24/523173124.db2.gz BSDIVXTZSXZZFX-UHFFFAOYSA-N 0 0 288.395 2.839 20 10 CFCDRN CN(Cc1ccc(CO)cc1)c1ccc2c(c1)OCO2 ZINC000182935541 523219905 /nfs/dbraw/zinc/21/99/05/523219905.db2.gz WHDRMXYGLXSTAB-UHFFFAOYSA-N 0 0 271.316 2.544 20 10 CFCDRN COCc1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000267398355 523284290 /nfs/dbraw/zinc/28/42/90/523284290.db2.gz OTUDIHXBCPTLQO-UHFFFAOYSA-N 0 0 296.371 2.502 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC1(C)C ZINC000288086822 523380661 /nfs/dbraw/zinc/38/06/61/523380661.db2.gz SMXAUMANHLFNJZ-ZDUSSCGKSA-N 0 0 262.353 2.722 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1CCSCC1 ZINC000264976396 523381837 /nfs/dbraw/zinc/38/18/37/523381837.db2.gz DWHFMRIMXKRRPZ-UHFFFAOYSA-N 0 0 294.420 2.677 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076964446 523381972 /nfs/dbraw/zinc/38/19/72/523381972.db2.gz SBEYNKQWASAPEX-OAHLLOKOSA-N 0 0 297.354 2.917 20 10 CFCDRN CN(Cc1ccccc1O)c1sccc1[N+](=O)[O-] ZINC000302035736 523387231 /nfs/dbraw/zinc/38/72/31/523387231.db2.gz UNXLHAFOECTFEE-UHFFFAOYSA-N 0 0 264.306 2.998 20 10 CFCDRN CN(Cc1ccccc1O)c1nc2ccccc2c(=O)[nH]1 ZINC000302679637 523387904 /nfs/dbraw/zinc/38/79/04/523387904.db2.gz WBQMHNBDPQDLIE-UHFFFAOYSA-N 0 0 281.315 2.677 20 10 CFCDRN CC[C@@](C)(OC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000280014916 523678308 /nfs/dbraw/zinc/67/83/08/523678308.db2.gz JDRGYQCSEDNUAF-QGZVFWFLSA-N 0 0 290.407 2.500 20 10 CFCDRN CC[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000276903233 523851584 /nfs/dbraw/zinc/85/15/84/523851584.db2.gz VCITXQJDJHHEEL-AWEZNQCLSA-N 0 0 290.407 2.576 20 10 CFCDRN CN1CCCc2cc(CNC(=O)CC(C)(F)F)ccc21 ZINC000277231511 523859446 /nfs/dbraw/zinc/85/94/46/523859446.db2.gz NDJAZTHXQRUUMI-UHFFFAOYSA-N 0 0 282.334 2.731 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccnc(F)c3)ccc21 ZINC000299637805 523861151 /nfs/dbraw/zinc/86/11/51/523861151.db2.gz DFCOLICCBXVFCZ-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627508 524208752 /nfs/dbraw/zinc/20/87/52/524208752.db2.gz SBRKVQAWAKWQJN-IUCAKERBSA-N 0 0 267.300 2.545 20 10 CFCDRN Cc1ccc(CC(=O)N(C)Cc2ccccc2O)s1 ZINC000101645547 524245525 /nfs/dbraw/zinc/24/55/25/524245525.db2.gz UZFVPWYRFCZGFR-UHFFFAOYSA-N 0 0 275.373 2.963 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCCCO2)c(OC)c1 ZINC000131694372 524352467 /nfs/dbraw/zinc/35/24/67/524352467.db2.gz AKFNQWJXHWRGNQ-CYBMUJFWSA-N 0 0 265.353 2.709 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000192069586 524352756 /nfs/dbraw/zinc/35/27/56/524352756.db2.gz FULCPPAUSUAXLY-GFCCVEGCSA-N 0 0 293.338 2.756 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1F ZINC000121808038 524355265 /nfs/dbraw/zinc/35/52/65/524355265.db2.gz PPTYNNFLIVXUMM-UHFFFAOYSA-N 0 0 279.315 2.977 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1F ZINC000292641575 524355489 /nfs/dbraw/zinc/35/54/89/524355489.db2.gz ZOXZNNSWNPKEMU-UHFFFAOYSA-N 0 0 278.331 2.712 20 10 CFCDRN COc1ccccc1C1(C(=O)NCc2ccccc2O)CC1 ZINC000299488455 524370476 /nfs/dbraw/zinc/37/04/76/524370476.db2.gz BTCHHSGZYRJWTL-UHFFFAOYSA-N 0 0 297.354 2.749 20 10 CFCDRN Cc1cc(CN(C)Cc2ccon2)ccc1N(C)C ZINC000293027241 524664215 /nfs/dbraw/zinc/66/42/15/524664215.db2.gz ITLYCCCNGARJKN-UHFFFAOYSA-N 0 0 259.353 2.681 20 10 CFCDRN COc1ccc(O)c(CN[C@@H](C2CC2)C(F)(F)F)c1 ZINC000290055108 524752616 /nfs/dbraw/zinc/75/26/16/524752616.db2.gz DXDROMSREVXTBW-LBPRGKRZSA-N 0 0 275.270 2.831 20 10 CFCDRN COc1ccc(O)c(CNCc2noc3c2CCCC3)c1 ZINC000289990800 524753902 /nfs/dbraw/zinc/75/39/02/524753902.db2.gz CGKQMWTWERHOBF-UHFFFAOYSA-N 0 0 288.347 2.557 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2nccc(C)n2)c1 ZINC000301274913 524768816 /nfs/dbraw/zinc/76/88/16/524768816.db2.gz LMQDXGSXKKZQSL-SNVBAGLBSA-N 0 0 259.309 2.672 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276981457 524780088 /nfs/dbraw/zinc/78/00/88/524780088.db2.gz VXKZUBSTIUBROA-NXEZZACHSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000186415103 524892329 /nfs/dbraw/zinc/89/23/29/524892329.db2.gz SKQWPGUUBPJHNI-AGIUHOORSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC1(C)C ZINC000274927825 524893936 /nfs/dbraw/zinc/89/39/36/524893936.db2.gz MRPMLBLNQXQWHN-WCQYABFASA-N 0 0 291.391 2.971 20 10 CFCDRN COc1cncc(COc2ccc(N(C)C)cc2)c1 ZINC000289381845 524921797 /nfs/dbraw/zinc/92/17/97/524921797.db2.gz LHYJIMIHZKYPOR-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)no1 ZINC000172592370 525193654 /nfs/dbraw/zinc/19/36/54/525193654.db2.gz JINCSYCTGCTLRT-UHFFFAOYSA-N 0 0 298.346 2.681 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191190483 525402871 /nfs/dbraw/zinc/40/28/71/525402871.db2.gz IKPOXBRKLZCRID-SNVBAGLBSA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000062747876 525482480 /nfs/dbraw/zinc/48/24/80/525482480.db2.gz QHZLJEVSXPIGDB-MNOVXSKESA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289839999 525560890 /nfs/dbraw/zinc/56/08/90/525560890.db2.gz PVCUEASEZRHIEW-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000364791418 525627251 /nfs/dbraw/zinc/62/72/51/525627251.db2.gz OFXWRUDTXFNUQV-LFSCMUJPSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000063219059 525667975 /nfs/dbraw/zinc/66/79/75/525667975.db2.gz QWNKQWVQRIHHPO-DOMZBBRYSA-N 0 0 289.350 2.786 20 10 CFCDRN Cc1ccnc(NCCCSc2nccs2)n1 ZINC000301283651 525689975 /nfs/dbraw/zinc/68/99/75/525689975.db2.gz PLPBXZYVGOCAPS-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN Cc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000301287796 525697598 /nfs/dbraw/zinc/69/75/98/525697598.db2.gz RKXBNMUZRVRAOO-AWEZNQCLSA-N 0 0 298.390 2.795 20 10 CFCDRN CS[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273516750 525808161 /nfs/dbraw/zinc/80/81/61/525808161.db2.gz SQHRWIZYSMBPQZ-DTWKUNHWSA-N 0 0 270.354 2.703 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647275 525830868 /nfs/dbraw/zinc/83/08/68/525830868.db2.gz VZRIMCDWNQDUET-RKDXNWHRSA-N 0 0 299.367 2.641 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)C ZINC000335003588 525973603 /nfs/dbraw/zinc/97/36/03/525973603.db2.gz KCZPWEXJXNOZGA-UHFFFAOYSA-N 0 0 259.353 2.694 20 10 CFCDRN Cc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000043385510 526082126 /nfs/dbraw/zinc/08/21/26/526082126.db2.gz JREBTHPMVVYHJI-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c(O)c1O ZINC000365009704 526108941 /nfs/dbraw/zinc/10/89/41/526108941.db2.gz HZATUAOPENKRCP-AWEZNQCLSA-N 0 0 298.342 2.779 20 10 CFCDRN Cc1cncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000266264026 526175943 /nfs/dbraw/zinc/17/59/43/526175943.db2.gz OCTOHVLQKVUKPR-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccccc2O)C1(C)C ZINC000275971035 526197322 /nfs/dbraw/zinc/19/73/22/526197322.db2.gz NMEYBPNOQUYVOJ-DGCLKSJQSA-N 0 0 289.375 2.650 20 10 CFCDRN Cc1cnccc1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000275045752 526221221 /nfs/dbraw/zinc/22/12/21/526221221.db2.gz RPXQXCMIYHORHH-UHFFFAOYSA-N 0 0 297.402 2.657 20 10 CFCDRN Cc1cc(C(=O)NC2CCC2)c(C)n1-c1ccccn1 ZINC000264531489 526264223 /nfs/dbraw/zinc/26/42/23/526264223.db2.gz OJLDANAWSGELJD-UHFFFAOYSA-N 0 0 269.348 2.771 20 10 CFCDRN Cc1cnn([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC000290929622 526268918 /nfs/dbraw/zinc/26/89/18/526268918.db2.gz OUMDJTZENBDYCK-ZDUSSCGKSA-N 0 0 291.782 2.998 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228003985 526329568 /nfs/dbraw/zinc/32/95/68/526329568.db2.gz JTAKNAGFTQEZMZ-ZIAGYGMSSA-N 0 0 265.328 2.675 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000158772992 526331314 /nfs/dbraw/zinc/33/13/14/526331314.db2.gz PVNPPIFUPLJOFC-CYBMUJFWSA-N 0 0 259.280 2.755 20 10 CFCDRN O=C(CC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117974770 526343573 /nfs/dbraw/zinc/34/35/73/526343573.db2.gz MOGNMRJHPXQISO-OAHLLOKOSA-N 0 0 289.375 2.700 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365156047 526347082 /nfs/dbraw/zinc/34/70/82/526347082.db2.gz LGKCVCZOBCAFID-BXUZGUMPSA-N 0 0 285.746 2.842 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@H]2CCC[C@H]21 ZINC000228144129 526363287 /nfs/dbraw/zinc/36/32/87/526363287.db2.gz UQGSFIYKHRQAEX-OCCSQVGLSA-N 0 0 267.756 2.799 20 10 CFCDRN O=C(CCC1CCCC1)NCCc1ccc(O)c(O)c1 ZINC000098074462 526404293 /nfs/dbraw/zinc/40/42/93/526404293.db2.gz XMMZUDYIFYYGAA-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN Cc1nnc([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000273657684 526405379 /nfs/dbraw/zinc/40/53/79/526405379.db2.gz XOIXPWBFZLRWCA-JTQLQIEISA-N 0 0 276.409 2.763 20 10 CFCDRN c1cc(N2CCCC2)ccc1OCc1nnc2n1CCCC2 ZINC000278237813 526431930 /nfs/dbraw/zinc/43/19/30/526431930.db2.gz KQJTYRWNZHWFEV-UHFFFAOYSA-N 0 0 298.390 2.794 20 10 CFCDRN Cc1noc(C)c1CN1CCOc2cc(N(C)C)ccc21 ZINC000175030773 526505278 /nfs/dbraw/zinc/50/52/78/526505278.db2.gz QVNPHPFBZNYJJP-UHFFFAOYSA-N 0 0 287.363 2.756 20 10 CFCDRN c1cnc(NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000301055801 526541341 /nfs/dbraw/zinc/54/13/41/526541341.db2.gz ADQUZORPTUQTSZ-UHFFFAOYSA-N 0 0 286.404 2.642 20 10 CFCDRN Cc1nc(C(C)(C)NCc2ccc(N(C)C)c(C)c2)no1 ZINC000292696350 526664528 /nfs/dbraw/zinc/66/45/28/526664528.db2.gz CYZMTYQLDZITKZ-UHFFFAOYSA-N 0 0 288.395 2.777 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)C1CCCC1 ZINC000277436635 526710147 /nfs/dbraw/zinc/71/01/47/526710147.db2.gz FBFXKUMEPGWGHW-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN O=C(NCc1ccccc1O)NC1CCCCCC1 ZINC000299501772 526753804 /nfs/dbraw/zinc/75/38/04/526753804.db2.gz LUGWBWIOGZGSAM-UHFFFAOYSA-N 0 0 262.353 2.914 20 10 CFCDRN Cc1nc(C[NH2+]Cc2cccc(F)c2[O-])c2n1CCCC2 ZINC000361908974 526888787 /nfs/dbraw/zinc/88/87/87/526888787.db2.gz RJOYMLBEBRZBTI-UHFFFAOYSA-N 0 0 289.354 2.662 20 10 CFCDRN O=C(C[C@@H]1OCCc2ccccc21)NCc1ccccc1O ZINC000265208384 527140735 /nfs/dbraw/zinc/14/07/35/527140735.db2.gz TWJLXBCFRHMLGX-KRWDZBQOSA-N 0 0 297.354 2.713 20 10 CFCDRN Cc1ncsc1CN(C)c1ccc2c(c1)OCO2 ZINC000272568274 527501093 /nfs/dbraw/zinc/50/10/93/527501093.db2.gz VHYHHZYUHXICCX-UHFFFAOYSA-N 0 0 262.334 2.817 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000364984077 527613636 /nfs/dbraw/zinc/61/36/36/527613636.db2.gz SJTOCPQDUSAAFS-QPJKDDTCSA-N 0 0 287.359 2.902 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(OC)c1)c1ccncc1 ZINC000493126938 535657685 /nfs/dbraw/zinc/65/76/85/535657685.db2.gz ZRZDZYAIYOOAPC-PLNGDYQASA-N 0 0 283.331 2.552 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1coc(CC)n1 ZINC000753832626 574050013 /nfs/dbraw/zinc/05/00/13/574050013.db2.gz BQBDBWMAVKDHKU-UHFFFAOYSA-N 0 0 288.347 2.995 20 10 CFCDRN Cc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000753912281 574054330 /nfs/dbraw/zinc/05/43/30/574054330.db2.gz WTIHUKSQGRDYCS-UHFFFAOYSA-N 0 0 286.375 2.855 20 10 CFCDRN COc1ccc(N(C)CCOC(C)(C)C)cc1OC ZINC000744200973 574060681 /nfs/dbraw/zinc/06/06/81/574060681.db2.gz SQBLNMNJSXUJMA-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN C[C@H](C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1)C(=O)[O-] ZINC000736581633 574060897 /nfs/dbraw/zinc/06/08/97/574060897.db2.gz BOAXIOUCPMABHK-LLVKDONJSA-N 0 0 289.375 2.566 20 10 CFCDRN COc1cc(N(C)C[C@H]2C[C@@H]2C)cc(OC)c1OC ZINC000754142434 574076858 /nfs/dbraw/zinc/07/68/58/574076858.db2.gz FXOMYLFGFVSUBK-WDEREUQCSA-N 0 0 265.353 2.805 20 10 CFCDRN COc1ccc(N(C)CCCOC(C)C)cc1OC ZINC000728688378 574104784 /nfs/dbraw/zinc/10/47/84/574104784.db2.gz MAFZYWPPOZUZGL-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NCC2CC2)cc1F ZINC000731363893 574118243 /nfs/dbraw/zinc/11/82/43/574118243.db2.gz PHJQRRQGBJKUEQ-UHFFFAOYSA-N 0 0 293.386 2.881 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756627414 574127516 /nfs/dbraw/zinc/12/75/16/574127516.db2.gz IEVVIVPRIWOXNA-WDEREUQCSA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756619097 574127542 /nfs/dbraw/zinc/12/75/42/574127542.db2.gz WGQQTMRQESYBMA-VXGBXAGGSA-N 0 0 266.360 2.666 20 10 CFCDRN Cc1cccc(OCCN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000731871011 574131358 /nfs/dbraw/zinc/13/13/58/574131358.db2.gz ULECHZWSCXTWNJ-UHFFFAOYSA-N 0 0 291.372 2.913 20 10 CFCDRN CC(=O)Nc1ccc(C)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000731869351 574132872 /nfs/dbraw/zinc/13/28/72/574132872.db2.gz FTBXPLWSXPWJKQ-UHFFFAOYSA-N 0 0 290.344 2.973 20 10 CFCDRN Cc1c(N[C@@H](C)c2cc(F)cc(F)c2O)cnn1C ZINC000756875220 574133131 /nfs/dbraw/zinc/13/31/31/574133131.db2.gz ULVBHUFLQSXJQA-ZETCQYMHSA-N 0 0 267.279 2.885 20 10 CFCDRN CC(C)N(C(=O)[C@H](C)OC(=O)C1=CC(=O)CS1)C(C)C ZINC000731910211 574133219 /nfs/dbraw/zinc/13/32/19/574133219.db2.gz OUQIIOQYXKVRBD-JTQLQIEISA-N 0 0 299.392 2.644 20 10 CFCDRN CCOc1ccc(N(CC)CCn2cccn2)cc1 ZINC000746157930 574137606 /nfs/dbraw/zinc/13/76/06/574137606.db2.gz XXQMHXGKATZOOX-UHFFFAOYSA-N 0 0 259.353 2.808 20 10 CFCDRN CCCCNC(=O)CN(CC)c1ccc(OCC)cc1 ZINC000746159670 574137890 /nfs/dbraw/zinc/13/78/90/574137890.db2.gz YKJXSJMNIYHIJA-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN CC(C)c1ocnc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000731963578 574138139 /nfs/dbraw/zinc/13/81/39/574138139.db2.gz NHAUGGWHLNBSGD-UHFFFAOYSA-N 0 0 287.363 2.794 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1[O-] ZINC000755166644 574143868 /nfs/dbraw/zinc/14/38/68/574143868.db2.gz AMDHDGVFNMHCDT-BMIGLBTASA-N 0 0 297.782 2.905 20 10 CFCDRN O=C(NCCCOc1ccccc1)C1=CC(=O)CS1 ZINC000732259433 574147777 /nfs/dbraw/zinc/14/77/77/574147777.db2.gz RJAFJJADAPEWEN-UHFFFAOYSA-N 0 0 277.345 2.653 20 10 CFCDRN CCN(CCC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000732279930 574150257 /nfs/dbraw/zinc/15/02/57/574150257.db2.gz UXUIDIUEOJUJEV-UHFFFAOYSA-N 0 0 267.272 2.868 20 10 CFCDRN O=C(NC[C@@H]1CCc2ccccc21)C1=CC(=O)CS1 ZINC000732292841 574150536 /nfs/dbraw/zinc/15/05/36/574150536.db2.gz ANIIDOBXPNOSKA-NSHDSACASA-N 0 0 273.357 2.914 20 10 CFCDRN O=C(NCCOc1ccc(F)cc1F)C1=CC(=O)CS1 ZINC000732289111 574150603 /nfs/dbraw/zinc/15/06/03/574150603.db2.gz LAHDCEWZJYYBGG-UHFFFAOYSA-N 0 0 299.298 2.541 20 10 CFCDRN O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1=CC(=O)CS1 ZINC000732354031 574153138 /nfs/dbraw/zinc/15/31/38/574153138.db2.gz YQGYQIJVDKVLKN-UHFFFAOYSA-N 0 0 297.263 2.858 20 10 CFCDRN COc1ccc(OC)c(COC(=O)C2=CC(=O)CS2)c1 ZINC000732354363 574153187 /nfs/dbraw/zinc/15/31/87/574153187.db2.gz KEWFRUXEJNGLOL-UHFFFAOYSA-N 0 0 294.328 2.828 20 10 CFCDRN COc1ccccc1OCCOC(=O)C1=CC(=O)CS1 ZINC000732354977 574153429 /nfs/dbraw/zinc/15/34/29/574153429.db2.gz YLUMWFKAKCUTDO-UHFFFAOYSA-N 0 0 294.328 2.698 20 10 CFCDRN CN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCC2 ZINC000738117791 574157903 /nfs/dbraw/zinc/15/79/03/574157903.db2.gz WUYKJZRZWQQCLD-UHFFFAOYSA-N 0 0 291.391 2.654 20 10 CFCDRN CC(C)SCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746802928 574166768 /nfs/dbraw/zinc/16/67/68/574166768.db2.gz FACUCDWWGQGLKX-UHFFFAOYSA-N 0 0 284.400 2.650 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2S1 ZINC000755600423 574171091 /nfs/dbraw/zinc/17/10/91/574171091.db2.gz PLVDZLIOZBOJIG-QDZRJHCZSA-N 0 0 299.399 2.961 20 10 CFCDRN COc1cccc(C[C@@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000733002984 574182403 /nfs/dbraw/zinc/18/24/03/574182403.db2.gz QIUPQWRQLBSVHD-SNVBAGLBSA-N 0 0 291.372 2.823 20 10 CFCDRN CCS[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000755831637 574191130 /nfs/dbraw/zinc/19/11/30/574191130.db2.gz HTBOHMWLQSZEOS-NXEZZACHSA-N 0 0 271.407 2.858 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cocn1 ZINC000729306214 574196800 /nfs/dbraw/zinc/19/68/00/574196800.db2.gz JJUAOHRRFQJZDB-UHFFFAOYSA-N 0 0 299.374 2.937 20 10 CFCDRN O=C(OCC1CCC2(CC1)OCCO2)C1=CC(=O)CS1 ZINC000753394287 574201455 /nfs/dbraw/zinc/20/14/55/574201455.db2.gz DCTBHDHWKULKKA-UHFFFAOYSA-N 0 0 298.360 2.544 20 10 CFCDRN CCC/C=C/C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729349670 574202431 /nfs/dbraw/zinc/20/24/31/574202431.db2.gz KXHCRBOEDKDDGS-VOTSOKGWSA-N 0 0 264.344 2.864 20 10 CFCDRN CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)ncn1 ZINC000733190293 574209728 /nfs/dbraw/zinc/20/97/28/574209728.db2.gz RLASNEFYCALEQG-JTQLQIEISA-N 0 0 273.336 2.926 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCOC2)cc1 ZINC000739525075 574216816 /nfs/dbraw/zinc/21/68/16/574216816.db2.gz ZUPADPBXMIVVFA-OAHLLOKOSA-N 0 0 290.407 2.576 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ocnc1C ZINC000748042857 574226003 /nfs/dbraw/zinc/22/60/03/574226003.db2.gz XCRIJTMYPAKJFV-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN CCc1cc(NC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000740023569 574232805 /nfs/dbraw/zinc/23/28/05/574232805.db2.gz QNWBMLQBVCTLFO-UHFFFAOYSA-N 0 0 288.351 2.625 20 10 CFCDRN COc1ccc(NC(=S)NCc2ccccc2O)cc1 ZINC000748157522 574233350 /nfs/dbraw/zinc/23/33/50/574233350.db2.gz LMQVUCQLYYJRIR-UHFFFAOYSA-N 0 0 288.372 2.887 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756441127 574237242 /nfs/dbraw/zinc/23/72/42/574237242.db2.gz ISXKMAXGMIFEJZ-UWVGGRQHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756441129 574237295 /nfs/dbraw/zinc/23/72/95/574237295.db2.gz ISXKMAXGMIFEJZ-ZJUUUORDSA-N 0 0 271.307 2.748 20 10 CFCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756530487 574244338 /nfs/dbraw/zinc/24/43/38/574244338.db2.gz YSEZUKMBIHVNPO-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756542642 574244764 /nfs/dbraw/zinc/24/47/64/574244764.db2.gz CGXPDAOIGJUESP-QMMMGPOBSA-N 0 0 268.263 2.818 20 10 CFCDRN O=[N+]([O-])c1c(NCc2ccccc2O)nc2ccccn21 ZINC000748307012 574246829 /nfs/dbraw/zinc/24/68/29/574246829.db2.gz HAPZQUABGIKMRZ-UHFFFAOYSA-N 0 0 284.275 2.560 20 10 CFCDRN CCOc1ncccc1NC(=O)NCc1ccccc1O ZINC000748325632 574247148 /nfs/dbraw/zinc/24/71/48/574247148.db2.gz RXNUOJXEIBARHW-UHFFFAOYSA-N 0 0 287.319 2.508 20 10 CFCDRN O=C(Nc1ncc(Cl)s1)C1=CC(=O)CS1 ZINC000748343402 574247886 /nfs/dbraw/zinc/24/78/86/574247886.db2.gz WJKQBVCZUKJEJP-UHFFFAOYSA-N 0 0 260.727 2.816 20 10 CFCDRN O=C(CCOCc1ccccc1)NCc1ccccc1O ZINC000748344802 574247908 /nfs/dbraw/zinc/24/79/08/574247908.db2.gz CHSURDJPEHBXKY-UHFFFAOYSA-N 0 0 285.343 2.615 20 10 CFCDRN C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756575388 574249349 /nfs/dbraw/zinc/24/93/49/574249349.db2.gz PZPPHFIYEXCCRQ-SECBINFHSA-N 0 0 271.307 2.626 20 10 CFCDRN CCCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574630 574249427 /nfs/dbraw/zinc/24/94/27/574249427.db2.gz DWUIEEGUBVAYCC-GFCCVEGCSA-N 0 0 295.383 2.683 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCSC)c1 ZINC000756585873 574250623 /nfs/dbraw/zinc/25/06/23/574250623.db2.gz NXYATKDWQZPSLX-NSHDSACASA-N 0 0 297.420 2.973 20 10 CFCDRN CCc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])on1 ZINC000756612806 574251786 /nfs/dbraw/zinc/25/17/86/574251786.db2.gz YFKNKOHDUKKRKK-VIFPVBQESA-N 0 0 264.300 2.933 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000756603367 574251865 /nfs/dbraw/zinc/25/18/65/574251865.db2.gz BIMAQZHNPHUQGG-BDAKNGLRSA-N 0 0 281.306 2.816 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756628564 574253137 /nfs/dbraw/zinc/25/31/37/574253137.db2.gz WHIQSXJOEUFGHQ-NQBHXWOUSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756710244 574257603 /nfs/dbraw/zinc/25/76/03/574257603.db2.gz AKXHYYUGRDFELW-UWVGGRQHSA-N 0 0 264.325 2.997 20 10 CFCDRN Cc1c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC000756776572 574261781 /nfs/dbraw/zinc/26/17/81/574261781.db2.gz QCNQTYVWBQLEQK-QMMMGPOBSA-N 0 0 281.306 2.563 20 10 CFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ncn1 ZINC000756777124 574262345 /nfs/dbraw/zinc/26/23/45/574262345.db2.gz VEFKZOZYULQEHV-VIFPVBQESA-N 0 0 279.290 2.620 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1nccc2ccccc21 ZINC000740764556 574266658 /nfs/dbraw/zinc/26/66/58/574266658.db2.gz YJVCFCFZJIPMAG-YRNVUSSQSA-N 0 0 272.354 2.724 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C2CCC1CC2 ZINC000741091034 574281071 /nfs/dbraw/zinc/28/10/71/574281071.db2.gz VOEKWSUAURMAEP-UHFFFAOYSA-N 0 0 297.402 2.899 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)n1C ZINC000734467735 574289146 /nfs/dbraw/zinc/28/91/46/574289146.db2.gz ACKRHKWVLVSJJX-UHFFFAOYSA-N 0 0 299.418 2.946 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@H]1C ZINC000734521029 574291551 /nfs/dbraw/zinc/29/15/51/574291551.db2.gz NCXYLJRQDGXNCA-BXUZGUMPSA-N 0 0 275.396 2.516 20 10 CFCDRN CCN(C)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000741735283 574300195 /nfs/dbraw/zinc/30/01/95/574300195.db2.gz FKPFZPXVGLOGOC-UHFFFAOYSA-N 0 0 293.374 2.845 20 10 CFCDRN CCO[C@@H](C)c1noc(CSc2nccs2)n1 ZINC000734740027 574300827 /nfs/dbraw/zinc/30/08/27/574300827.db2.gz LMUXERQIBSZBRU-ZETCQYMHSA-N 0 0 271.367 2.916 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N(C)c1ccc(OC)c(OC)c1 ZINC000741782600 574303410 /nfs/dbraw/zinc/30/34/10/574303410.db2.gz FLKMTFJZRUFYSL-GFCCVEGCSA-N 0 0 295.379 2.872 20 10 CFCDRN CSc1ccc(NC(=O)C2=CC(=O)CS2)nc1 ZINC000734880273 574306060 /nfs/dbraw/zinc/30/60/60/574306060.db2.gz KZAPUGUSDMGIFG-UHFFFAOYSA-N 0 0 266.347 2.823 20 10 CFCDRN CC(C)n1ccc(COC(=O)C2=CC(=O)CS2)n1 ZINC000735145255 574315186 /nfs/dbraw/zinc/31/51/86/574315186.db2.gz YXTMQJZDGMKEGB-UHFFFAOYSA-N 0 0 266.322 2.588 20 10 CFCDRN Oc1cc2c(cc1CN1CCC[C@H]1c1ncon1)CCC2 ZINC000750016735 574320784 /nfs/dbraw/zinc/32/07/84/574320784.db2.gz IDMSSOMPONTZTF-AWEZNQCLSA-N 0 0 285.347 2.601 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725848107 574328642 /nfs/dbraw/zinc/32/86/42/574328642.db2.gz ZTNOWWRCOWBPPH-UHFFFAOYSA-N 0 0 276.292 2.534 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1(C)CC1 ZINC000725849150 574329749 /nfs/dbraw/zinc/32/97/49/574329749.db2.gz IXXSYAUVWCHPBB-SECBINFHSA-N 0 0 250.298 2.579 20 10 CFCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)nn1 ZINC000735917756 574342975 /nfs/dbraw/zinc/34/29/75/574342975.db2.gz PIMPNEMMHGGOHI-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN CN1CC[C@H](C(=O)NCc2ccccc2O)c2ccccc21 ZINC000750787063 574355709 /nfs/dbraw/zinc/35/57/09/574355709.db2.gz FQWQYADKTUEGRV-HNNXBMFYSA-N 0 0 296.370 2.632 20 10 CFCDRN COc1cccc(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000743259580 574355823 /nfs/dbraw/zinc/35/58/23/574355823.db2.gz FFWIKUDJZYYEAN-UHFFFAOYSA-N 0 0 293.344 2.510 20 10 CFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000743341630 574358533 /nfs/dbraw/zinc/35/85/33/574358533.db2.gz VTEUQZILWJIECG-UHFFFAOYSA-N 0 0 289.404 2.616 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000743641977 574370005 /nfs/dbraw/zinc/37/00/05/574370005.db2.gz LICSAFGVSLICFC-ZFWWWQNUSA-N 0 0 273.357 2.914 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000743642313 574370105 /nfs/dbraw/zinc/37/01/05/574370105.db2.gz RHAAQLZXWFGQJY-WMZOPIPTSA-N 0 0 296.370 2.922 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nc(C(C)(C)C)no1 ZINC000743800285 574372370 /nfs/dbraw/zinc/37/23/70/574372370.db2.gz ULDVAIGLSPPWNF-SSDOTTSWSA-N 0 0 295.364 2.625 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC(C)(C)C2CC2)cc1 ZINC000743810624 574372556 /nfs/dbraw/zinc/37/25/56/574372556.db2.gz FLJILQPQLXJTRC-UHFFFAOYSA-N 0 0 275.396 2.740 20 10 CFCDRN CS/C=C\C(=O)NCCCSc1nccs1 ZINC000751467410 574377507 /nfs/dbraw/zinc/37/75/07/574377507.db2.gz WFWINEIDNXEHTQ-CLTKARDFSA-N 0 0 274.436 2.618 20 10 CFCDRN COc1ncc(COC(=O)C2=CC(=O)CS2)cc1Cl ZINC000751714792 574381211 /nfs/dbraw/zinc/38/12/11/574381211.db2.gz LHMQIPRSEVIGHC-UHFFFAOYSA-N 0 0 299.735 2.868 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)C1=CC(=O)CS1 ZINC000752632721 574393416 /nfs/dbraw/zinc/39/34/16/574393416.db2.gz XZWBZHMYPJYDIV-ZETCQYMHSA-N 0 0 280.349 2.592 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccoc1 ZINC000753234529 574400473 /nfs/dbraw/zinc/40/04/73/574400473.db2.gz AEMCDJAOWUDKAA-UHFFFAOYSA-N 0 0 286.375 2.903 20 10 CFCDRN CO[C@H]1Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2C1 ZINC000753498446 574403349 /nfs/dbraw/zinc/40/33/49/574403349.db2.gz OVFCPUANUHNPEQ-ZDUSSCGKSA-N 0 0 289.356 2.820 20 10 CFCDRN CCON(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000753500661 574403409 /nfs/dbraw/zinc/40/34/09/574403409.db2.gz ZYPNZCJAOFJCRX-UHFFFAOYSA-N 0 0 297.374 2.765 20 10 CFCDRN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086756740 598151300 /nfs/dbraw/zinc/15/13/00/598151300.db2.gz WWKXVANNSGCAAE-SNVBAGLBSA-N 0 0 283.755 2.732 20 10 CFCDRN O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000050508786 598219611 /nfs/dbraw/zinc/21/96/11/598219611.db2.gz ZILZIXOMPBIMKY-AWEZNQCLSA-N 0 0 291.734 2.961 20 10 CFCDRN CCC1(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)COC1 ZINC000935466122 649910576 /nfs/dbraw/zinc/91/05/76/649910576.db2.gz WGFIWWUURDYQML-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN COC/C(C)=C\CSc1ncc(C(=O)OC)s1 ZINC000901570644 620866303 /nfs/dbraw/zinc/86/63/03/620866303.db2.gz OTWZJMLMRKGACT-YWEYNIOJSA-N 0 0 273.379 2.615 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)cc1C(C)C ZINC000832899679 601371557 /nfs/dbraw/zinc/37/15/57/601371557.db2.gz QJBFPXBVSLAKKP-MRXNPFEDSA-N 0 0 295.354 2.823 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000825480394 604327404 /nfs/dbraw/zinc/32/74/04/604327404.db2.gz XIDLZZUAUIQVTM-OCCSQVGLSA-N 0 0 291.395 2.546 20 10 CFCDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000135046814 605548056 /nfs/dbraw/zinc/54/80/56/605548056.db2.gz XGVUNUDPPZPEMS-ZDUSSCGKSA-N 0 0 277.364 2.715 20 10 CFCDRN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000253592802 651063866 /nfs/dbraw/zinc/06/38/66/651063866.db2.gz ZDWDKGWZEFAUDC-SNPRPXQTSA-N 0 0 289.375 2.556 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)C(C)(F)F ZINC000935945857 649963888 /nfs/dbraw/zinc/96/38/88/649963888.db2.gz NKAOGGBBAPZBBW-SECBINFHSA-N 0 0 292.322 2.785 20 10 CFCDRN CC(C)C[C@H](CNC(=O)[O-])[NH2+][C@H](C)c1ccccc1O ZINC000833793357 606039620 /nfs/dbraw/zinc/03/96/20/606039620.db2.gz DSOITXRZGZLSDT-VXGBXAGGSA-N 0 0 280.368 2.725 20 10 CFCDRN Cc1cc(Cn2cc(C3CCC3)nn2)ccc1N(C)C ZINC000900572584 620689910 /nfs/dbraw/zinc/68/99/10/620689910.db2.gz XKVXXNTXPTZNJA-UHFFFAOYSA-N 0 0 270.380 2.968 20 10 CFCDRN Fc1c(CSc2nccs2)cccc1-c1nn[nH]n1 ZINC000826371810 608673237 /nfs/dbraw/zinc/67/32/37/608673237.db2.gz UZLOIFHWIKUAHS-UHFFFAOYSA-N 0 0 293.352 2.755 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)c1coc(C2CC2)n1 ZINC000890759487 617837048 /nfs/dbraw/zinc/83/70/48/617837048.db2.gz LIVICSRLCDHVGI-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCSC1 ZINC000890759356 617837435 /nfs/dbraw/zinc/83/74/35/617837435.db2.gz KCFSBOMHXGOIOM-SNVBAGLBSA-N 0 0 285.796 2.805 20 10 CFCDRN CC1(C)CC[C@H](C(=O)NCc2cccc(Cl)c2O)O1 ZINC000890759263 617837442 /nfs/dbraw/zinc/83/74/42/617837442.db2.gz IWLOFQYMJFOWMW-LLVKDONJSA-N 0 0 283.755 2.619 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1CC=CC1 ZINC000890759637 617837523 /nfs/dbraw/zinc/83/75/23/617837523.db2.gz FPXXUSNORYBOAE-UHFFFAOYSA-N 0 0 251.713 2.628 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCc2cccc(Cl)c2O)O1 ZINC000890759264 617837600 /nfs/dbraw/zinc/83/76/00/617837600.db2.gz IWLOFQYMJFOWMW-NSHDSACASA-N 0 0 283.755 2.619 20 10 CFCDRN O=C(COCC1CCCC1)NCc1cccc(Cl)c1O ZINC000890760859 617838292 /nfs/dbraw/zinc/83/82/92/617838292.db2.gz BJJWQUTWVRMVFN-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN CCC(C)(C)C(=O)C(=O)NCc1cccc(Cl)c1O ZINC000890760856 617838707 /nfs/dbraw/zinc/83/87/07/617838707.db2.gz BFBLLIGOOCDXBC-UHFFFAOYSA-N 0 0 283.755 2.667 20 10 CFCDRN COCCC[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760754 617838911 /nfs/dbraw/zinc/83/89/11/617838911.db2.gz YNUJNXODDVKMFD-SNVBAGLBSA-N 0 0 285.771 2.725 20 10 CFCDRN COc1cccc(CNC(=O)OCCC(F)(F)F)c1O ZINC000866840696 617606366 /nfs/dbraw/zinc/60/63/66/617606366.db2.gz LKCDPTSACZUILQ-UHFFFAOYSA-N 0 0 293.241 2.579 20 10 CFCDRN Cn1cc(/C=C/C(=O)N(CC(C)(C)C)c2ccccn2)cn1 ZINC000891504230 617640180 /nfs/dbraw/zinc/64/01/80/617640180.db2.gz NCFWPPKCGGIQEJ-CMDGGOBGSA-N 0 0 298.390 2.908 20 10 CFCDRN CSCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000891605695 617683498 /nfs/dbraw/zinc/68/34/98/617683498.db2.gz CDBHLMFBJNMOPU-UHFFFAOYSA-N 0 0 295.452 2.693 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000891608747 617684997 /nfs/dbraw/zinc/68/49/97/617684997.db2.gz XOOHDCAXBCTLJY-NUEKZKHPSA-N 0 0 287.407 2.740 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC3(CCC3)CC2)cc1 ZINC000308650650 617734653 /nfs/dbraw/zinc/73/46/53/617734653.db2.gz KFTFZCHBFFYWCP-UHFFFAOYSA-N 0 0 258.365 2.604 20 10 CFCDRN CSC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000306043365 617790862 /nfs/dbraw/zinc/79/08/62/617790862.db2.gz XULQUVJTVAJKLQ-UHFFFAOYSA-N 0 0 265.382 2.628 20 10 CFCDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000308697420 617794208 /nfs/dbraw/zinc/79/42/08/617794208.db2.gz SNDMZHWIKZDPCG-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN O=C(COC1CCCC1)NCc1cccc(Cl)c1O ZINC000890758301 617835844 /nfs/dbraw/zinc/83/58/44/617835844.db2.gz VBBNWDWLSLINDH-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN C[C@@]1(C(=O)NCc2cccc(Cl)c2O)CC1(F)F ZINC000890761500 617840840 /nfs/dbraw/zinc/84/08/40/617840840.db2.gz UCNCBRCGEAWXMX-NSHDSACASA-N 0 0 275.682 2.707 20 10 CFCDRN CC1(C)CO[C@@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890763683 617843749 /nfs/dbraw/zinc/84/37/49/617843749.db2.gz ZWOWIHZTRSAQBA-NSHDSACASA-N 0 0 297.782 2.867 20 10 CFCDRN CCCNC(=O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806128299 617848918 /nfs/dbraw/zinc/84/89/18/617848918.db2.gz QPFPGUDPUDCGMZ-LBPRGKRZSA-N 0 0 284.787 2.613 20 10 CFCDRN O=C(C=C1CCC1)NCc1cc(Br)ccc1O ZINC000804735956 617856899 /nfs/dbraw/zinc/85/68/99/617856899.db2.gz MCWIECZOLDGYBF-UHFFFAOYSA-N 0 0 296.164 2.881 20 10 CFCDRN C/C=C(/C)C(=O)NCc1cc(Br)ccc1O ZINC000804738180 617859687 /nfs/dbraw/zinc/85/96/87/617859687.db2.gz GADWKHUXPNQWSQ-BAQGIRSFSA-N 0 0 284.153 2.737 20 10 CFCDRN Cc1cc(NCc2cc(Br)ccc2O)ncn1 ZINC000804828494 617904484 /nfs/dbraw/zinc/90/44/84/617904484.db2.gz XWYVYCMEKDWGSO-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](c2ccncc2)C2CC2)c(O)c1O ZINC000890913505 617945403 /nfs/dbraw/zinc/94/54/03/617945403.db2.gz OKFXRJGELXTQAF-CQSZACIVSA-N 0 0 298.342 2.682 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccns1 ZINC000889121062 617981974 /nfs/dbraw/zinc/98/19/74/617981974.db2.gz YXIBUYGTBOPFGB-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN CC(Cl)(Cl)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160345 617982758 /nfs/dbraw/zinc/98/27/58/617982758.db2.gz XJIOJNVGHYGMBO-UHFFFAOYSA-N 0 0 272.135 2.893 20 10 CFCDRN CC(C)(C(=O)NCc1ccccc1O)c1ccccc1 ZINC000082285878 618015141 /nfs/dbraw/zinc/01/51/41/618015141.db2.gz SHHZSSXXRMPOKY-UHFFFAOYSA-N 0 0 269.344 2.986 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2ccccc2[nH]1 ZINC000082289526 618015402 /nfs/dbraw/zinc/01/54/02/618015402.db2.gz YHUSVHHPFUIDBR-UHFFFAOYSA-N 0 0 266.300 2.804 20 10 CFCDRN COc1ccc(CN(CC(F)F)C(C)C)c(O)c1OC ZINC000892234535 618017703 /nfs/dbraw/zinc/01/77/03/618017703.db2.gz NZGMSKZAXYRUFR-UHFFFAOYSA-N 0 0 289.322 2.885 20 10 CFCDRN CC(C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560674 618068082 /nfs/dbraw/zinc/06/80/82/618068082.db2.gz XZXPDDAPHVRYAI-CQSZACIVSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)C1CC1 ZINC000892306495 618103496 /nfs/dbraw/zinc/10/34/96/618103496.db2.gz VSPHNVUKGRLPFC-SECBINFHSA-N 0 0 282.771 2.891 20 10 CFCDRN CN1CCCc2cc(CNCc3nccs3)ccc21 ZINC000050286805 618108772 /nfs/dbraw/zinc/10/87/72/618108772.db2.gz HQAQUYWMQXITRR-UHFFFAOYSA-N 0 0 273.405 2.815 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)C[C@H]2C)c(O)c1O ZINC000840530749 618210094 /nfs/dbraw/zinc/21/00/94/618210094.db2.gz HLRSEQNFGIHCQV-SNVBAGLBSA-N 0 0 263.337 2.667 20 10 CFCDRN C[C@@H]([NH2+]CCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273455140 618228233 /nfs/dbraw/zinc/22/82/33/618228233.db2.gz GVAHJWQZGSDLDF-SECBINFHSA-N 0 0 250.298 2.751 20 10 CFCDRN Oc1ccccc1CNCc1ncc(Br)s1 ZINC000310034365 618273383 /nfs/dbraw/zinc/27/33/83/618273383.db2.gz SLDDBGVOLXHBRJ-UHFFFAOYSA-N 0 0 299.193 2.901 20 10 CFCDRN O=C(NCCc1cc2ccccc2[nH]1)c1cccc(O)c1O ZINC000187199651 618274869 /nfs/dbraw/zinc/27/48/69/618274869.db2.gz ZIFVECVZRBRVQW-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN O=C(CSc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000159118979 618311868 /nfs/dbraw/zinc/31/18/68/618311868.db2.gz SSLBAYXFZXFYGO-UHFFFAOYSA-N 0 0 289.356 2.506 20 10 CFCDRN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1[O-] ZINC000894087559 618317284 /nfs/dbraw/zinc/31/72/84/618317284.db2.gz CXZSIMSOPXXAOQ-KGLIPLIRSA-N 0 0 296.361 2.729 20 10 CFCDRN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000179535602 618324957 /nfs/dbraw/zinc/32/49/57/618324957.db2.gz RTVJEMYYMBSIAU-RYUDHWBXSA-N 0 0 295.404 2.810 20 10 CFCDRN COc1ccc(N(C)Cc2nc(Br)c[nH]2)cc1 ZINC000895136967 618365625 /nfs/dbraw/zinc/36/56/25/618365625.db2.gz FHEVQDULWFKLNR-UHFFFAOYSA-N 0 0 296.168 2.817 20 10 CFCDRN CCC[C@@](C)(NCc1cc(C)cc(OC)c1O)C(=O)OC ZINC000894137397 618383254 /nfs/dbraw/zinc/38/32/54/618383254.db2.gz OWMJZKZYHAKBEU-MRXNPFEDSA-N 0 0 295.379 2.531 20 10 CFCDRN CC[C@@H](C)NC(=S)NCc1ccc2c(c1)CCCN2C ZINC000749767060 618387693 /nfs/dbraw/zinc/38/76/93/618387693.db2.gz ICQDWGYJWFVHAA-GFCCVEGCSA-N 0 0 291.464 2.832 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCCC[C@H]1CO ZINC000895150213 618392195 /nfs/dbraw/zinc/39/21/95/618392195.db2.gz HUNGGIGQBZTPNK-LBPRGKRZSA-N 0 0 269.772 2.783 20 10 CFCDRN COc1ccc(N2CC[C@H](N[C@H](C)c3ncco3)C2)cc1 ZINC000926679046 618407013 /nfs/dbraw/zinc/40/70/13/618407013.db2.gz ADPCJFHMLNHSDW-OLZOCXBDSA-N 0 0 287.363 2.613 20 10 CFCDRN COc1ccc(N(C)CCNC(=O)OC(C)(C)C)cc1F ZINC000177523048 618440973 /nfs/dbraw/zinc/44/09/73/618440973.db2.gz QKQHBFYQCDCHSF-UHFFFAOYSA-N 0 0 298.358 2.795 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)OCC1CC1 ZINC000066096109 618447929 /nfs/dbraw/zinc/44/79/29/618447929.db2.gz QUZCQDXDCVSTOC-ZDUSSCGKSA-N 0 0 291.391 2.946 20 10 CFCDRN CCC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727185578 618455452 /nfs/dbraw/zinc/45/54/52/618455452.db2.gz DLWLKFPXXQMPFP-UHFFFAOYSA-N 0 0 286.331 2.625 20 10 CFCDRN CC(C)c1cc(NC(=O)NCCc2ccc(N)cc2)no1 ZINC000841129772 618459694 /nfs/dbraw/zinc/45/96/94/618459694.db2.gz FXYJTMXLUJVEJM-UHFFFAOYSA-N 0 0 288.351 2.744 20 10 CFCDRN Cc1cc(O)c(CN(C)[C@H]2CC(C)(C)OC2=O)cc1C ZINC000814179915 618459723 /nfs/dbraw/zinc/45/97/23/618459723.db2.gz JGYIXZUDPGMBQJ-ZDUSSCGKSA-N 0 0 277.364 2.535 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCOC1 ZINC000193536616 618463377 /nfs/dbraw/zinc/46/33/77/618463377.db2.gz OBJHSEVORBCBQG-AWEZNQCLSA-N 0 0 291.391 2.948 20 10 CFCDRN OC[C@H]1Cc2ccccc2N1Cc1cc(F)cc(F)c1O ZINC000895241530 618493849 /nfs/dbraw/zinc/49/38/49/618493849.db2.gz MFXZSPQZKIYASN-CYBMUJFWSA-N 0 0 291.297 2.594 20 10 CFCDRN C[C@H]1CCC[C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000237512578 620810952 /nfs/dbraw/zinc/81/09/52/620810952.db2.gz UFNNSOSCWKALJL-GXTWGEPZSA-N 0 0 260.381 2.754 20 10 CFCDRN COc1cc(C)cc(CN2CC[C@@H]2C(F)F)c1O ZINC000895430052 618577823 /nfs/dbraw/zinc/57/78/23/618577823.db2.gz BRDINVOHBCPWOV-SNVBAGLBSA-N 0 0 257.280 2.549 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc(F)c2cccnc12 ZINC000164607276 618690486 /nfs/dbraw/zinc/69/04/86/618690486.db2.gz MBMQABQTUPKVJV-UXBLZVDNSA-N 0 0 290.344 2.863 20 10 CFCDRN Cc1nn(C)c(C)c1N[C@H]1CCc2cccc(O)c21 ZINC000311881748 618727673 /nfs/dbraw/zinc/72/76/73/618727673.db2.gz NGDUVCUPRPBTCE-LBPRGKRZSA-N 0 0 257.337 2.842 20 10 CFCDRN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000892737313 618736429 /nfs/dbraw/zinc/73/64/29/618736429.db2.gz AWRPRWUXGPZCEJ-UHFFFAOYSA-N 0 0 278.327 2.783 20 10 CFCDRN CN(C)c1ccc(CNCc2nccn2C2CC2)cc1F ZINC000892738730 618736787 /nfs/dbraw/zinc/73/67/87/618736787.db2.gz XIYHKBMUOCSIHS-UHFFFAOYSA-N 0 0 288.370 2.713 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)C(C)C)c1 ZINC000784445068 618776243 /nfs/dbraw/zinc/77/62/43/618776243.db2.gz ZWODGIZKMSSHLV-NOZJJQNGSA-N 0 0 269.316 2.572 20 10 CFCDRN COc1ccc(CNc2cncc(C)c2)c(O)c1OC ZINC000893198356 618878285 /nfs/dbraw/zinc/87/82/85/618878285.db2.gz UMMYXFFLTVKHOI-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1 ZINC000183471664 618906185 /nfs/dbraw/zinc/90/61/85/618906185.db2.gz QNCXQQWJJDYPSW-SNVBAGLBSA-N 0 0 289.306 2.598 20 10 CFCDRN COc1cc(N(C)C[C@@H]2CC[C@H](C)O2)cc(OC)c1OC ZINC000190599636 618920085 /nfs/dbraw/zinc/92/00/85/618920085.db2.gz OFQJNTSSDYKVQT-AAEUAGOBSA-N 0 0 295.379 2.716 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CNc1nc2ccccn2n1 ZINC000195013527 618944410 /nfs/dbraw/zinc/94/44/10/618944410.db2.gz UXVZABBYRDXCGC-UHFFFAOYSA-N 0 0 292.701 2.840 20 10 CFCDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000893463516 619006910 /nfs/dbraw/zinc/00/69/10/619006910.db2.gz XTPYVJWCNUCHDY-UHFFFAOYSA-N 0 0 261.277 2.653 20 10 CFCDRN CN(C)c1cccc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000053914759 619077343 /nfs/dbraw/zinc/07/73/43/619077343.db2.gz DOKSZONZFNZMDC-UHFFFAOYSA-N 0 0 284.359 2.730 20 10 CFCDRN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc(O)c1O ZINC000188330515 619083483 /nfs/dbraw/zinc/08/34/83/619083483.db2.gz CWRAURPQJIBMQK-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN COC(=O)[C@@H](CC1CC1)NCc1cc(Cl)cc(C)c1O ZINC000840959617 619155049 /nfs/dbraw/zinc/15/50/49/619155049.db2.gz YZLRFFGXNNVVES-CYBMUJFWSA-N 0 0 297.782 2.785 20 10 CFCDRN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(O)c(O)c1 ZINC000182532803 625322491 /nfs/dbraw/zinc/32/24/91/625322491.db2.gz GWYVAAXZJUEBAQ-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840971990 619188481 /nfs/dbraw/zinc/18/84/81/619188481.db2.gz XVPRACXILDPAAX-CMPLNLGQSA-N 0 0 291.725 2.684 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CNOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925864927 619189561 /nfs/dbraw/zinc/18/95/61/619189561.db2.gz CSCCRCQJQHVBFZ-KWQFWETISA-N 0 0 291.178 2.643 20 10 CFCDRN CCC1(C(=O)NCc2ccc(O)c(O)c2)CCCC1 ZINC000182523442 625326020 /nfs/dbraw/zinc/32/60/20/625326020.db2.gz LKAROIQWGIQFRG-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237381222 619204125 /nfs/dbraw/zinc/20/41/25/619204125.db2.gz FLFFWKYSSDPTQS-XIKOKIGWSA-N 0 0 280.371 2.861 20 10 CFCDRN Cc1ncoc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000893864081 619230712 /nfs/dbraw/zinc/23/07/12/619230712.db2.gz SAJKNKNLWYUCDN-UHFFFAOYSA-N 0 0 259.353 2.681 20 10 CFCDRN CCOc1ccc(N(C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000747530086 619253695 /nfs/dbraw/zinc/25/36/95/619253695.db2.gz JAGDUXGIKXUTFX-LLVKDONJSA-N 0 0 291.351 2.812 20 10 CFCDRN CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000832431122 625331678 /nfs/dbraw/zinc/33/16/78/625331678.db2.gz KMNLEMYVLNYKBE-LRDDRELGSA-N 0 0 290.407 2.745 20 10 CFCDRN CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)C1=CC(=O)CS1 ZINC000928311511 619342675 /nfs/dbraw/zinc/34/26/75/619342675.db2.gz RCAJUHGHKXORRJ-ONGXEEELSA-N 0 0 299.392 2.551 20 10 CFCDRN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894572254 619421816 /nfs/dbraw/zinc/42/18/16/619421816.db2.gz FLTCYFKHAGUVTG-OAHLLOKOSA-N 0 0 285.334 2.797 20 10 CFCDRN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894597108 619428351 /nfs/dbraw/zinc/42/83/51/619428351.db2.gz VJGCKVOVYOXPLD-MFKMUULPSA-N 0 0 285.334 2.796 20 10 CFCDRN CCc1c(C)nc2ncnn2c1NCc1cc(C)ccc1O ZINC000894725671 619454477 /nfs/dbraw/zinc/45/44/77/619454477.db2.gz KDHDPHXRNZGQNY-UHFFFAOYSA-N 0 0 297.362 2.621 20 10 CFCDRN Cc1nnc([C@@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000894776464 619461769 /nfs/dbraw/zinc/46/17/69/619461769.db2.gz DSNIODGQGQQYSN-FOQNGQEVSA-N 0 0 285.395 2.543 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC1 ZINC000740084040 619500806 /nfs/dbraw/zinc/50/08/06/619500806.db2.gz RCCUGMIDGYJLDJ-ZDUSSCGKSA-N 0 0 277.364 2.557 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000894901999 619506787 /nfs/dbraw/zinc/50/67/87/619506787.db2.gz IGTTTYFDJQEKTB-RNCFNFMXSA-N 0 0 271.307 2.527 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000894903658 619508421 /nfs/dbraw/zinc/50/84/21/619508421.db2.gz AWDMBVDQUSRAEI-ZDUSSCGKSA-N 0 0 285.359 2.998 20 10 CFCDRN Oc1ccccc1CNc1ncc(Br)cn1 ZINC000067370647 619533666 /nfs/dbraw/zinc/53/36/66/619533666.db2.gz WCZDAKFCYNSTCQ-UHFFFAOYSA-N 0 0 280.125 2.557 20 10 CFCDRN CC1(C)[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]2CCCO[C@@H]21 ZINC000841299546 619540402 /nfs/dbraw/zinc/54/04/02/619540402.db2.gz IQRQKUYJWYHBBY-MJBXVCDLSA-N 0 0 289.379 2.594 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2(C3CC3)CC2)cc1 ZINC000895485522 619541925 /nfs/dbraw/zinc/54/19/25/619541925.db2.gz WIMYVDJDYGRFPT-UHFFFAOYSA-N 0 0 272.392 2.901 20 10 CFCDRN CCc1cc(NCc2ccc(OC)cc2O)nc(C)n1 ZINC000795291746 619544956 /nfs/dbraw/zinc/54/49/56/619544956.db2.gz BEXRIOWPZZMMAU-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572752 619557128 /nfs/dbraw/zinc/55/71/28/619557128.db2.gz LBBIKPRDYDVWLS-MRVPVSSYSA-N 0 0 261.699 2.976 20 10 CFCDRN Oc1c(F)cc(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000895742056 619594454 /nfs/dbraw/zinc/59/44/54/619594454.db2.gz VVBPKHUSZJESHN-UHFFFAOYSA-N 0 0 297.717 2.593 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779459 619605695 /nfs/dbraw/zinc/60/56/95/619605695.db2.gz PNKHAFOBEYLJFW-AOOOYVTPSA-N 0 0 287.787 2.980 20 10 CFCDRN CCc1[nH]nc(Cl)c1CN1Cc2cccc(O)c2C1 ZINC000895784629 619606148 /nfs/dbraw/zinc/60/61/48/619606148.db2.gz KBGRIOISTZXIOO-UHFFFAOYSA-N 0 0 277.755 2.847 20 10 CFCDRN Oc1cccc(F)c1CNc1ncnc2c1ncn2C1CC1 ZINC000895833095 619619392 /nfs/dbraw/zinc/61/93/92/619619392.db2.gz SWJSQCJOQLLJTR-UHFFFAOYSA-N 0 0 299.309 2.618 20 10 CFCDRN COc1cc2c(cc1O)CC[N@H+](Cc1cccc(C)c1O)C2 ZINC000895888074 619627930 /nfs/dbraw/zinc/62/79/30/619627930.db2.gz HJEBZLSXSZDVKY-UHFFFAOYSA-N 0 0 299.370 2.973 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NCC1CC=CC1 ZINC000895960713 619641970 /nfs/dbraw/zinc/64/19/70/619641970.db2.gz HNJGSHKURBCOJC-UHFFFAOYSA-N 0 0 280.755 2.811 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)CO1 ZINC000896056367 619663067 /nfs/dbraw/zinc/66/30/67/619663067.db2.gz DITHCBPTSADGOI-WFASDCNBSA-N 0 0 277.364 2.556 20 10 CFCDRN O=C1N=C(NC2CC2)SC1=Cc1ccc2ncccc2c1 ZINC000214520452 619676852 /nfs/dbraw/zinc/67/68/52/619676852.db2.gz KTNZRGAQWVXOCA-NTEUORMPSA-N 0 0 295.367 2.957 20 10 CFCDRN CN(C)c1ccnc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000896298822 619712037 /nfs/dbraw/zinc/71/20/37/619712037.db2.gz MFTUWGZBCNZXQP-UHFFFAOYSA-N 0 0 291.782 2.796 20 10 CFCDRN C[C@@]1(Br)C[C@H]1C[NH2+]Cc1c([O-])cccc1F ZINC000896644817 619778334 /nfs/dbraw/zinc/77/83/34/619778334.db2.gz ZKHITANNLOYWPZ-QPUJVOFHSA-N 0 0 288.160 2.794 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C[C@H](C)O1 ZINC000896636300 619780011 /nfs/dbraw/zinc/78/00/11/619780011.db2.gz AMRCIIDZPCVXJA-URLYPYJESA-N 0 0 253.317 2.577 20 10 CFCDRN CC(C)(C)c1ncc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896636910 619780100 /nfs/dbraw/zinc/78/01/00/619780100.db2.gz GMVNTRHUBDSTAV-UHFFFAOYSA-N 0 0 289.354 2.909 20 10 CFCDRN CO[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896639394 619781014 /nfs/dbraw/zinc/78/10/14/619781014.db2.gz DMJJRXZGBRYEGC-RYUDHWBXSA-N 0 0 267.344 2.969 20 10 CFCDRN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)C12CCC2 ZINC000896640196 619781360 /nfs/dbraw/zinc/78/13/60/619781360.db2.gz GQZBSDWHUORPFI-KGLIPLIRSA-N 0 0 265.328 2.579 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000896640817 619781655 /nfs/dbraw/zinc/78/16/55/619781655.db2.gz KAQIRNOATWJQND-XZJROXQQSA-N 0 0 291.366 2.969 20 10 CFCDRN CC(C)(CNC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000896971069 619907830 /nfs/dbraw/zinc/90/78/30/619907830.db2.gz ZQTXSAJPNJYHRY-UHFFFAOYSA-N 0 0 280.343 2.767 20 10 CFCDRN Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000897224007 619953665 /nfs/dbraw/zinc/95/36/65/619953665.db2.gz DQNREYOFTFFUMI-UHFFFAOYSA-N 0 0 293.317 2.571 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(F)cc1[O-] ZINC000796962168 619958300 /nfs/dbraw/zinc/95/83/00/619958300.db2.gz PSLUYLQJPFEIJJ-KOLCDFICSA-N 0 0 277.286 2.588 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1(C(F)(F)F)CCC1 ZINC000928706827 619995935 /nfs/dbraw/zinc/99/59/35/619995935.db2.gz VUSRQUPVECNWGF-UHFFFAOYSA-N 0 0 291.244 2.880 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928709214 619996419 /nfs/dbraw/zinc/99/64/19/619996419.db2.gz YUHDYDPWTYNRKG-ZJUUUORDSA-N 0 0 251.301 2.584 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928708775 619996606 /nfs/dbraw/zinc/99/66/06/619996606.db2.gz TYSGKVZBVFXUPK-NHYWBVRUSA-N 0 0 265.328 2.830 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc1F ZINC000840995638 620103778 /nfs/dbraw/zinc/10/37/78/620103778.db2.gz AIWCVTWXZSKPGZ-LLVKDONJSA-N 0 0 282.359 2.577 20 10 CFCDRN CCC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996813 620109848 /nfs/dbraw/zinc/10/98/48/620109848.db2.gz BPAAPZONTFMZPN-PKYBCLHXSA-N 0 0 276.380 2.609 20 10 CFCDRN COc1ccc(F)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000182969925 625403988 /nfs/dbraw/zinc/40/39/88/625403988.db2.gz LICIOTRBPKXXAR-UHFFFAOYSA-N 0 0 291.278 2.806 20 10 CFCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCC(=O)N3)c1 ZINC000237363996 620212606 /nfs/dbraw/zinc/21/26/06/620212606.db2.gz MZAWIIGCVHWCLR-UHFFFAOYSA-N 0 0 298.342 2.898 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]2C[C@H]21 ZINC000897730427 620280519 /nfs/dbraw/zinc/28/05/19/620280519.db2.gz NDHXCAYBWXWLJY-WCBMZHEXSA-N 0 0 289.356 2.937 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897736577 620281534 /nfs/dbraw/zinc/28/15/34/620281534.db2.gz BBFFSEAGYUZRJA-UHFFFAOYSA-N 0 0 283.734 2.501 20 10 CFCDRN CCC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897883401 620297781 /nfs/dbraw/zinc/29/77/81/620297781.db2.gz CYSXLOSZLLIZDY-UHFFFAOYSA-N 0 0 277.345 2.985 20 10 CFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897888745 620298470 /nfs/dbraw/zinc/29/84/70/620298470.db2.gz HJAOJSKARPFWOQ-SSDOTTSWSA-N 0 0 277.345 2.841 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)ccc(F)c1F ZINC000897960087 620312485 /nfs/dbraw/zinc/31/24/85/620312485.db2.gz YSLDNJYURIBHIP-UBHAPETDSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC(CCO)C1 ZINC000898007990 620316080 /nfs/dbraw/zinc/31/60/80/620316080.db2.gz ITVDTZILGCTGSP-UHFFFAOYSA-N 0 0 290.190 2.950 20 10 CFCDRN [O-]c1c(CN2CCC([NH2+]C3CCC3)CC2)ccc(F)c1F ZINC000897977684 620317157 /nfs/dbraw/zinc/31/71/57/620317157.db2.gz HRVPHZZACSGLOQ-UHFFFAOYSA-N 0 0 296.361 2.777 20 10 CFCDRN Cc1cccc(CNc2ccnn2[C@H]2CCCOC2)c1O ZINC000898094439 620332057 /nfs/dbraw/zinc/33/20/57/620332057.db2.gz AYGGMLOZFWCRSJ-AWEZNQCLSA-N 0 0 287.363 2.861 20 10 CFCDRN CC(C)OC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219534 620347051 /nfs/dbraw/zinc/34/70/51/620347051.db2.gz YWRUCTWCPTZHDK-JTQLQIEISA-N 0 0 257.761 2.949 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000898254152 620357764 /nfs/dbraw/zinc/35/77/64/620357764.db2.gz ASWAJAXADRANAI-OPQQBVKSSA-N 0 0 278.327 2.519 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCC[C@@H]1CCOC1 ZINC000787776804 620418631 /nfs/dbraw/zinc/41/86/31/620418631.db2.gz PGQJGTMNUNDRJT-CQSZACIVSA-N 0 0 290.407 2.768 20 10 CFCDRN O=C(NCc1ccccc1O)c1c(F)cccc1F ZINC000084387752 620427629 /nfs/dbraw/zinc/42/76/29/620427629.db2.gz NBROTPZNCCNCBN-UHFFFAOYSA-N 0 0 263.243 2.600 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000898878881 620498321 /nfs/dbraw/zinc/49/83/21/620498321.db2.gz XQTUTMJUBZARNZ-ZWNOBZJWSA-N 0 0 278.327 2.685 20 10 CFCDRN O=C(NC/C=C/Cl)NCc1c(O)ccc2c1CCCC2 ZINC000899052182 620519155 /nfs/dbraw/zinc/51/91/55/620519155.db2.gz UVYGZXMVYNTDJY-FPYGCLRLSA-N 0 0 294.782 2.823 20 10 CFCDRN Cc1nc(C)c(CC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000899181692 620528514 /nfs/dbraw/zinc/52/85/14/620528514.db2.gz KFQITBRGGMBFDM-SECBINFHSA-N 0 0 290.388 2.885 20 10 CFCDRN O=C(C1C[C@H]2CC[C@@H](C1)S2)N1Cc2cccc(O)c2C1 ZINC000899174028 620528860 /nfs/dbraw/zinc/52/88/60/620528860.db2.gz SGQWXLCDUUKUFJ-YHWZYXNKSA-N 0 0 289.400 2.909 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccnn2C2CCC2)SC1=S ZINC000899332026 620546456 /nfs/dbraw/zinc/54/64/56/620546456.db2.gz CNAVIJQWCUMTBR-DHZHZOJOSA-N 0 0 293.417 2.829 20 10 CFCDRN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC000899342596 620546816 /nfs/dbraw/zinc/54/68/16/620546816.db2.gz ALDYFDBPMNMMNG-LUAWRHEFSA-N 0 0 292.360 2.744 20 10 CFCDRN C[C@@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccccc1O ZINC000927203457 620575684 /nfs/dbraw/zinc/57/56/84/620575684.db2.gz CVKZVVDPPKHRFB-WBMJQRKESA-N 0 0 292.379 2.712 20 10 CFCDRN C[C@H](NC(=O)c1ccc2c(n1)CCCN2)c1ccccc1O ZINC000899862029 620606636 /nfs/dbraw/zinc/60/66/36/620606636.db2.gz QTTNERQFWMXIKO-NSHDSACASA-N 0 0 297.358 2.636 20 10 CFCDRN CCn1cncc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000901522451 620844888 /nfs/dbraw/zinc/84/48/88/620844888.db2.gz OFQWVDKJPYOGJU-DHDCSXOGSA-N 0 0 279.343 2.736 20 10 CFCDRN Cc1cn(C)nc1COc1ccc(N2CCCC2)cc1 ZINC000902718114 621154674 /nfs/dbraw/zinc/15/46/74/621154674.db2.gz ZGXPRFSTWGKTPO-UHFFFAOYSA-N 0 0 271.364 2.908 20 10 CFCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000903066765 621239264 /nfs/dbraw/zinc/23/92/64/621239264.db2.gz XDTPZRUATWKFSX-HZMBPMFUSA-N 0 0 292.358 2.708 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1[O-] ZINC000903209843 621288702 /nfs/dbraw/zinc/28/87/02/621288702.db2.gz GDDOPWFWKPCZDF-QWRGUYRKSA-N 0 0 296.798 2.565 20 10 CFCDRN C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000903274683 621309753 /nfs/dbraw/zinc/30/97/53/621309753.db2.gz QIIHHXIHIYWDSF-SNVBAGLBSA-N 0 0 281.306 2.548 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903317744 621330568 /nfs/dbraw/zinc/33/05/68/621330568.db2.gz MIVRMFIBGYHUCO-NXEZZACHSA-N 0 0 288.313 2.766 20 10 CFCDRN CC(C)O[C@]1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCOC1 ZINC000903356434 621347134 /nfs/dbraw/zinc/34/71/34/621347134.db2.gz DIXDMWDJHJHAMM-LRDDRELGSA-N 0 0 297.370 2.766 20 10 CFCDRN CC(C)O[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000903357550 621347766 /nfs/dbraw/zinc/34/77/66/621347766.db2.gz NMMSOZZIUSOZKK-BLLLJJGKSA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1c([O-])cccc1F ZINC000903391440 621350445 /nfs/dbraw/zinc/35/04/45/621350445.db2.gz YKOFTNBUYDSQQM-RISCZKNCSA-N 0 0 295.354 2.520 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(F)cc1[O-] ZINC000903406998 621362661 /nfs/dbraw/zinc/36/26/61/621362661.db2.gz LPXKOIQAEGFFSX-UONOGXRCSA-N 0 0 267.344 2.733 20 10 CFCDRN CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)O1 ZINC000904500091 621602814 /nfs/dbraw/zinc/60/28/14/621602814.db2.gz JYEIDIKFNIKOLU-ZDUSSCGKSA-N 0 0 277.368 2.738 20 10 CFCDRN COc1cnc(C=Cc2ccc(N(C)C)cc2C)[nH]c1=O ZINC000905077636 621689474 /nfs/dbraw/zinc/68/94/74/621689474.db2.gz ZMEBYPLDFDFIOB-SOFGYWHQSA-N 0 0 285.347 2.736 20 10 CFCDRN CNC(=O)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071407359 625515306 /nfs/dbraw/zinc/51/53/06/625515306.db2.gz HQZFBHQBBUFJTK-UHFFFAOYSA-N 0 0 270.332 2.672 20 10 CFCDRN CNC(=O)Cc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071407616 625515751 /nfs/dbraw/zinc/51/57/51/625515751.db2.gz YXHWPOBZLAYLFH-UHFFFAOYSA-N 0 0 284.359 2.601 20 10 CFCDRN Cn1nccc1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000905740578 621842099 /nfs/dbraw/zinc/84/20/99/621842099.db2.gz KVVAXKWDYOQYDK-QGZVFWFLSA-N 0 0 297.402 2.952 20 10 CFCDRN Cc1ccc2c(c1F)N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC000905920423 621901097 /nfs/dbraw/zinc/90/10/97/621901097.db2.gz STZZZWJLMRHSJZ-BQYQJAHWSA-N 0 0 299.349 2.860 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC=CCCC1 ZINC000907060895 622081546 /nfs/dbraw/zinc/08/15/46/622081546.db2.gz QVPXQCHBWTXZHR-CYBMUJFWSA-N 0 0 275.348 2.851 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCF ZINC000908044837 622190580 /nfs/dbraw/zinc/19/05/80/622190580.db2.gz HRAAVNGLEHOWLR-UHFFFAOYSA-N 0 0 253.317 2.881 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]1C(F)F ZINC000908506756 622240660 /nfs/dbraw/zinc/24/06/60/622240660.db2.gz UNDMRVIQVSFQMG-SSDOTTSWSA-N 0 0 299.298 2.792 20 10 CFCDRN CC(C)c1cccc(C(=O)NCc2ccc(O)cc2O)n1 ZINC000910951536 622489392 /nfs/dbraw/zinc/48/93/92/622489392.db2.gz SEKRKPPICFNLEW-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910943250 622491304 /nfs/dbraw/zinc/49/13/04/622491304.db2.gz LRKVGAKRBZYNNR-CYBMUJFWSA-N 0 0 299.370 2.901 20 10 CFCDRN CC(C)(C)C1CC(C(=O)NCc2ccc(O)cc2O)C1 ZINC000910943378 622491485 /nfs/dbraw/zinc/49/14/85/622491485.db2.gz BDGIOCGSUBHLPS-UHFFFAOYSA-N 0 0 277.364 2.786 20 10 CFCDRN C[C@@H]1[C@H](C(=O)NCc2ccc(O)cc2O)[C@H]1c1ccccc1 ZINC000910946185 622491997 /nfs/dbraw/zinc/49/19/97/622491997.db2.gz KDVFJXAEAJAVTP-JECHBYEQSA-N 0 0 297.354 2.764 20 10 CFCDRN CC1(C)CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910948133 622492261 /nfs/dbraw/zinc/49/22/61/622492261.db2.gz VAKJINWTXMNJRY-GFCCVEGCSA-N 0 0 263.337 2.540 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000911660903 622531601 /nfs/dbraw/zinc/53/16/01/622531601.db2.gz OHTFNDWRTJNPDB-UONOGXRCSA-N 0 0 260.337 2.555 20 10 CFCDRN CCCCCCO[C@H](C)C(=O)NCc1ccc(O)c(O)c1 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623677107 /nfs/dbraw/zinc/67/71/07/623677107.db2.gz NYQLZXZIXDVVBE-NSHDSACASA-N 0 0 269.772 2.640 20 10 CFCDRN COc1ccc(N2CCC(NC(=O)CCCF)CC2)cc1 ZINC000825425869 623692275 /nfs/dbraw/zinc/69/22/75/623692275.db2.gz NLKBULJZWWQAGS-UHFFFAOYSA-N 0 0 294.370 2.530 20 10 CFCDRN C[C@@H](Cc1ccco1)NC(=O)NCc1c(O)cccc1F ZINC000914106302 623698423 /nfs/dbraw/zinc/69/84/23/623698423.db2.gz CPJBCHZNSPXIGR-JTQLQIEISA-N 0 0 292.310 2.555 20 10 CFCDRN CCCn1nccc1CN(C)c1ccc(OC)c(OC)c1 ZINC000825510276 623705473 /nfs/dbraw/zinc/70/54/73/623705473.db2.gz ZCUSSNWHPKKUNH-UHFFFAOYSA-N 0 0 289.379 2.947 20 10 CFCDRN COC(=O)[C@@]1(C)CCCN1Cc1cc(Cl)c(C)cc1O ZINC000825563406 623716044 /nfs/dbraw/zinc/71/60/44/623716044.db2.gz WSOIZCZZBDMWLE-OAHLLOKOSA-N 0 0 297.782 2.882 20 10 CFCDRN Cc1cc(O)c(CN2CCC[C@@]23CCOC3=O)cc1Cl ZINC000825567901 623717485 /nfs/dbraw/zinc/71/74/85/623717485.db2.gz OWNWSVQWVXFNHC-HNNXBMFYSA-N 0 0 295.766 2.636 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000825603588 623722045 /nfs/dbraw/zinc/72/20/45/623722045.db2.gz UCWMNNHOEAFRBR-VNQPRFMTSA-N 0 0 287.407 2.740 20 10 CFCDRN CCCCCCOCC(=O)NCCc1ccc(N)cc1 ZINC000152574127 623734849 /nfs/dbraw/zinc/73/48/49/623734849.db2.gz COMSZESOPZHLGN-UHFFFAOYSA-N 0 0 278.396 2.524 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCc2cccs2)cc1 ZINC000031726791 623792671 /nfs/dbraw/zinc/79/26/71/623792671.db2.gz DODPPYJBHNZGJX-UHFFFAOYSA-N 0 0 289.404 2.814 20 10 CFCDRN CCOC1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826113367 623795601 /nfs/dbraw/zinc/79/56/01/623795601.db2.gz KOYHSQKHIIYIGF-UHFFFAOYSA-N 0 0 293.407 2.919 20 10 CFCDRN CC/C(C)=C/C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000826657896 623831911 /nfs/dbraw/zinc/83/19/11/623831911.db2.gz OYZFZTKNOKSIIU-ZRDIBKRKSA-N 0 0 274.364 2.834 20 10 CFCDRN CN(Cc1c[nH]cn1)Cc1ccc(Br)cc1O ZINC000826770335 623871039 /nfs/dbraw/zinc/87/10/39/623871039.db2.gz WUVQOPFGPUQHRF-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN CC[C@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000827084857 623937767 /nfs/dbraw/zinc/93/77/67/623937767.db2.gz DQNASRBMPIVNLO-CYBMUJFWSA-N 0 0 279.380 2.829 20 10 CFCDRN CN1CC(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827126255 623947818 /nfs/dbraw/zinc/94/78/18/623947818.db2.gz YNJJYJKKLZUFLB-UHFFFAOYSA-N 0 0 289.206 2.692 20 10 CFCDRN Cc1occc1-c1nnc(Sc2nccs2)n1C ZINC000914862383 623952417 /nfs/dbraw/zinc/95/24/17/623952417.db2.gz AJXBHHNXXGSFIL-UHFFFAOYSA-N 0 0 278.362 2.991 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152800 623955061 /nfs/dbraw/zinc/95/50/61/623955061.db2.gz WDUIYZCOBMNORR-HNNXBMFYSA-N 0 0 281.783 2.783 20 10 CFCDRN CCOc1ccc(CNc2ncc(C)cn2)c(O)c1 ZINC000834478689 625692082 /nfs/dbraw/zinc/69/20/82/625692082.db2.gz RBVYQMIYSBSLDQ-UHFFFAOYSA-N 0 0 259.309 2.501 20 10 CFCDRN C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827282849 623981425 /nfs/dbraw/zinc/98/14/25/623981425.db2.gz NPZARANFNSFCOQ-IINYFYTJSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC=CCC1 ZINC000827294695 623983467 /nfs/dbraw/zinc/98/34/67/623983467.db2.gz MFKXZZDJUZZIMQ-INIZCTEOSA-N 0 0 275.348 2.503 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000827359334 623992628 /nfs/dbraw/zinc/99/26/28/623992628.db2.gz LYIWQWHBEHLPQN-SNVBAGLBSA-N 0 0 287.762 2.683 20 10 CFCDRN CSC(C)(C)C(=O)NCCCSc1nccs1 ZINC000827474965 624011277 /nfs/dbraw/zinc/01/12/77/624011277.db2.gz QCAOIIDLGHNBLH-UHFFFAOYSA-N 0 0 290.479 2.883 20 10 CFCDRN CCOc1cccc(CN(C)Cc2nnc(C)s2)c1O ZINC000827799639 624096711 /nfs/dbraw/zinc/09/67/11/624096711.db2.gz OFRSVQPTDUEHGA-UHFFFAOYSA-N 0 0 293.392 2.583 20 10 CFCDRN Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC000827923245 624128686 /nfs/dbraw/zinc/12/86/86/624128686.db2.gz MORPZEOSUAPTGJ-SNVBAGLBSA-N 0 0 288.347 2.807 20 10 CFCDRN C[C@@H](NC(=O)CCOCC(F)(F)F)c1ccccc1O ZINC000827923548 624128831 /nfs/dbraw/zinc/12/88/31/624128831.db2.gz UVPVHEAUYVWRLE-SECBINFHSA-N 0 0 291.269 2.538 20 10 CFCDRN CC(C)c1ncncc1C(=O)N[C@H](C)c1ccccc1O ZINC000827930617 624129906 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624134827 /nfs/dbraw/zinc/13/48/27/624134827.db2.gz PIJHNQYVYMQECR-SNVBAGLBSA-N 0 0 251.301 2.709 20 10 CFCDRN CCc1cncc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827946908 624134939 /nfs/dbraw/zinc/13/49/39/624134939.db2.gz UVTZBQLHLVXCTJ-LLVKDONJSA-N 0 0 270.332 2.841 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1O ZINC000827951990 624136337 /nfs/dbraw/zinc/13/63/37/624136337.db2.gz BSOGEYGMAZWMKL-BYCMXARLSA-N 0 0 282.343 2.768 20 10 CFCDRN CO[C@H]1CCC[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827952306 624136997 /nfs/dbraw/zinc/13/69/97/624136997.db2.gz NFCMWFFMRIGYEO-AGIUHOORSA-N 0 0 277.364 2.775 20 10 CFCDRN CO[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952498 624137230 /nfs/dbraw/zinc/13/72/30/624137230.db2.gz VQDIEXJGENDWJJ-DYVFJYSZSA-N 0 0 299.370 2.827 20 10 CFCDRN CCOC1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC000827956601 624137868 /nfs/dbraw/zinc/13/78/68/624137868.db2.gz NMEBCALMJBZRTA-LLVKDONJSA-N 0 0 263.337 2.529 20 10 CFCDRN CCOC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827960316 624139782 /nfs/dbraw/zinc/13/97/82/624139782.db2.gz NMEBCALMJBZRTA-NSHDSACASA-N 0 0 263.337 2.529 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCc2ccccc2O1)c1ccccc1O ZINC000827959902 624139786 /nfs/dbraw/zinc/13/97/86/624139786.db2.gz GZQLBFTUCKLKNT-SJCJKPOMSA-N 0 0 297.354 2.963 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)c1ccccc1O ZINC000827964336 624141703 /nfs/dbraw/zinc/14/17/03/624141703.db2.gz LCQOLIUEFZBYOY-SMDDNHRTSA-N 0 0 298.342 2.589 20 10 CFCDRN C[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1ccccc1O ZINC000827964505 624141742 /nfs/dbraw/zinc/14/17/42/624141742.db2.gz NUEHZWIBUCMHTB-NWDGAFQWSA-N 0 0 279.380 2.757 20 10 CFCDRN CCOC1CC(CC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827969201 624142177 /nfs/dbraw/zinc/14/21/77/624142177.db2.gz JTNSVMGRCISTSC-HIFPTAJRSA-N 0 0 277.364 2.775 20 10 CFCDRN Cc1ccn(C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969202 624142419 /nfs/dbraw/zinc/14/24/19/624142419.db2.gz JWTGEWPTQTVAKM-NSHDSACASA-N 0 0 258.321 2.530 20 10 CFCDRN C[C@H](NC(=O)CCC(=O)OC(C)(C)C)c1ccccc1O ZINC000827969527 624142523 /nfs/dbraw/zinc/14/25/23/624142523.db2.gz OKWUMHLRWXPPFY-NSHDSACASA-N 0 0 293.363 2.691 20 10 CFCDRN C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccccc1O ZINC000827972982 624143943 /nfs/dbraw/zinc/14/39/43/624143943.db2.gz FEXCTNLSUTVTDB-SJCJKPOMSA-N 0 0 297.354 2.883 20 10 CFCDRN C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1O ZINC000827973471 624144111 /nfs/dbraw/zinc/14/41/11/624144111.db2.gz QPBOBVSLHZEIGX-QMMMGPOBSA-N 0 0 261.243 2.912 20 10 CFCDRN C[C@H](NC(=O)CCC1CCOCC1)c1ccccc1O ZINC000827973148 624144277 /nfs/dbraw/zinc/14/42/77/624144277.db2.gz ITVWAHPTXWGTGW-LBPRGKRZSA-N 0 0 277.364 2.776 20 10 CFCDRN CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978437 624145029 /nfs/dbraw/zinc/14/50/29/624145029.db2.gz SZLWSVUBDZJZDF-NWDGAFQWSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@H](NC(=O)CN1CCc2ccccc21)c1ccccc1O ZINC000827978463 624145232 /nfs/dbraw/zinc/14/52/32/624145232.db2.gz ULXXSVUXIJVQNE-ZDUSSCGKSA-N 0 0 296.370 2.632 20 10 CFCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000828183767 624194891 /nfs/dbraw/zinc/19/48/91/624194891.db2.gz HLCUTLDLEBEQCR-QLJPJBMISA-N 0 0 293.338 2.889 20 10 CFCDRN COc1ccc(N(CC[C@H](C)O)CC(C)C)cc1 ZINC000828206215 624200964 /nfs/dbraw/zinc/20/09/64/624200964.db2.gz ROAJQPCCJAJQPE-ZDUSSCGKSA-N 0 0 251.370 2.929 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC2=CCCC2)cc1 ZINC000828218112 624203362 /nfs/dbraw/zinc/20/33/62/624203362.db2.gz XIDWVBZXZGNYQH-UHFFFAOYSA-N 0 0 275.348 2.785 20 10 CFCDRN Cc1cnc(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000828326748 624228446 /nfs/dbraw/zinc/22/84/46/624228446.db2.gz KAYXYSIYGGWQSW-UHFFFAOYSA-N 0 0 268.316 2.560 20 10 CFCDRN O=C(C[C@@H]1CC[C@H](C2CC2)O1)N1Cc2cccc(O)c2C1 ZINC000828325595 624228576 /nfs/dbraw/zinc/22/85/76/624228576.db2.gz ASSHRXOWGRFRPR-XJKSGUPXSA-N 0 0 287.359 2.582 20 10 CFCDRN CC(C)[C@H]1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000828327561 624229209 /nfs/dbraw/zinc/22/92/09/624229209.db2.gz PSWUJESLOFCNBK-BLLLJJGKSA-N 0 0 289.375 2.686 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C[C@H]1C ZINC000828399203 624238004 /nfs/dbraw/zinc/23/80/04/624238004.db2.gz MWZHMMMCVNTGIJ-OPRDCNLKSA-N 0 0 281.327 2.791 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000828502368 624257877 /nfs/dbraw/zinc/25/78/77/624257877.db2.gz LVOFIFLLQOVMMJ-MRVWCRGKSA-N 0 0 274.364 2.722 20 10 CFCDRN O=C(C=Cc1ccccc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916590346 624258235 /nfs/dbraw/zinc/25/82/35/624258235.db2.gz QRRLZLCPUMNVKA-TWGQIWQCSA-N 0 0 298.294 2.537 20 10 CFCDRN C[C@@H](NC(=O)[C@]12CCO[C@@H]1CCCC2)c1ccccc1O ZINC000828538893 624264862 /nfs/dbraw/zinc/26/48/62/624264862.db2.gz DGQGTYKLWPCRTR-SRCQZFHVSA-N 0 0 289.375 2.919 20 10 CFCDRN C[C@H](NC(=O)[C@]12CCO[C@@H]1CCCC2)c1ccccc1O ZINC000828538895 624265129 /nfs/dbraw/zinc/26/51/29/624265129.db2.gz DGQGTYKLWPCRTR-XGWLTEMNSA-N 0 0 289.375 2.919 20 10 CFCDRN O=C(CC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000917386658 624338107 /nfs/dbraw/zinc/33/81/07/624338107.db2.gz RRQBFJPFLNNQAT-UHFFFAOYSA-N 0 0 290.432 2.656 20 10 CFCDRN COc1cccc(NC(=S)NCc2cccc(C)n2)c1 ZINC000917586391 624369489 /nfs/dbraw/zinc/36/94/89/624369489.db2.gz GNYXTAOQRSLULS-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCc2cccc(Cl)c21 ZINC000918157414 624424069 /nfs/dbraw/zinc/42/40/69/624424069.db2.gz GWPXNRYHBBYTKE-SNAWJCMRSA-N 0 0 285.734 2.733 20 10 CFCDRN CCCC[N@H+](CC[C@@H](C)O)Cc1ccccc1O ZINC000829516003 624450530 /nfs/dbraw/zinc/45/05/30/624450530.db2.gz MCCXVIUBTLQTHW-CYBMUJFWSA-N 0 0 251.370 2.765 20 10 CFCDRN COC(=O)c1cnc(SCc2ncc(C)s2)s1 ZINC000829681260 624505719 /nfs/dbraw/zinc/50/57/19/624505719.db2.gz SIDMFPWIBULSNY-UHFFFAOYSA-N 0 0 286.403 2.987 20 10 CFCDRN COC(=O)c1cnc(SCc2cccnc2C)s1 ZINC000829677658 624506301 /nfs/dbraw/zinc/50/63/01/624506301.db2.gz GZGWHUYCCFLSDG-UHFFFAOYSA-N 0 0 280.374 2.925 20 10 CFCDRN CO[C@@H](C(=O)NCc1ccccc1O)C1CCCCC1 ZINC000830526292 624772162 /nfs/dbraw/zinc/77/21/62/624772162.db2.gz IMDZQDXWJGHWOF-OAHLLOKOSA-N 0 0 277.364 2.604 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCCc1ccc(O)c(O)c1 ZINC000830532190 624773417 /nfs/dbraw/zinc/77/34/17/624773417.db2.gz SOOGJTZBVMWVIK-HNNXBMFYSA-N 0 0 283.343 2.675 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCC2(CC2)CC1 ZINC000830531654 624773372 /nfs/dbraw/zinc/77/33/72/624773372.db2.gz MGKOEAGJQUPGCD-UHFFFAOYSA-N 0 0 289.375 2.727 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2occc2C)c1 ZINC000830540198 624775771 /nfs/dbraw/zinc/77/57/71/624775771.db2.gz GKQVIHILDLVPJQ-NSHDSACASA-N 0 0 289.331 2.722 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(O)c(O)c1 ZINC000830559796 624779904 /nfs/dbraw/zinc/77/99/04/624779904.db2.gz VVQUUTROHKHMHO-CQSZACIVSA-N 0 0 269.316 2.632 20 10 CFCDRN Cc1ccc(OCC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000237695789 624972535 /nfs/dbraw/zinc/97/25/35/624972535.db2.gz PDVKTGGECNDDEU-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN COc1cccc(CNC(=O)Cc2ccccc2C)c1O ZINC000068488532 625002487 /nfs/dbraw/zinc/00/24/87/625002487.db2.gz MVUVJUGZKIVWKW-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(F)cc(F)c2)c1O ZINC000068488828 625002499 /nfs/dbraw/zinc/00/24/99/625002499.db2.gz VPVMWWJMRIJGOU-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN COc1cccc(CNC(=O)c2sccc2C)c1O ZINC000068488701 625002674 /nfs/dbraw/zinc/00/26/74/625002674.db2.gz DEEXWCRJAPWRIR-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(Cl)cc2)c1O ZINC000068488691 625002700 /nfs/dbraw/zinc/00/27/00/625002700.db2.gz FMXXIPYBOOYUGF-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN COc1cccc(CNC(=O)c2cccc(C)c2)c1O ZINC000068488557 625002747 /nfs/dbraw/zinc/00/27/47/625002747.db2.gz POYKIHJXKBVMHK-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2CC=CC2)cc1 ZINC000831420376 625016613 /nfs/dbraw/zinc/01/66/13/625016613.db2.gz SKVVFGWNKAPDEP-UHFFFAOYSA-N 0 0 286.335 2.935 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccsc2)c1 ZINC000170901005 625052983 /nfs/dbraw/zinc/05/29/83/625052983.db2.gz JIMBUKSGMYSNED-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)o2)c1 ZINC000170901064 625053362 /nfs/dbraw/zinc/05/33/62/625053362.db2.gz XYTYBYBQCIVTAY-SNVBAGLBSA-N 0 0 275.304 2.793 20 10 CFCDRN COCCOCCN(CC1CC1)c1ccc(OC)cc1 ZINC000831588163 625061786 /nfs/dbraw/zinc/06/17/86/625061786.db2.gz UFEHUSPVIYHDFE-UHFFFAOYSA-N 0 0 279.380 2.575 20 10 CFCDRN C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCS1 ZINC000181190301 625075822 /nfs/dbraw/zinc/07/58/22/625075822.db2.gz QSKSFLVULLNSCT-DRDHIDPGSA-N 0 0 293.388 2.513 20 10 CFCDRN Cn1nc(C2CCCC2)cc1NC(=O)Cc1ccc(N)cc1 ZINC000831982178 625200749 /nfs/dbraw/zinc/20/07/49/625200749.db2.gz IAQLWTLZZRHOSW-UHFFFAOYSA-N 0 0 298.390 2.841 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)[NH2+]1 ZINC000070074995 625262692 /nfs/dbraw/zinc/26/26/92/625262692.db2.gz PRPJHKRPDYGSMZ-IUCAKERBSA-N 0 0 289.206 2.881 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000182226523 625273333 /nfs/dbraw/zinc/27/33/33/625273333.db2.gz IZRQLLQCASMABV-SCZZXKLOSA-N 0 0 251.326 2.571 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cscn1 ZINC000082367490 625722270 /nfs/dbraw/zinc/72/22/70/625722270.db2.gz FSQRKNGBDUPDOC-UHFFFAOYSA-N 0 0 299.193 2.901 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000767930652 625747315 /nfs/dbraw/zinc/74/73/15/625747315.db2.gz WYIXGYLHCHAWFG-SNVBAGLBSA-N 0 0 286.278 2.968 20 10 CFCDRN Cc1csc(C(C)(C)NC(=O)c2cccc(O)c2O)n1 ZINC000185675746 625760334 /nfs/dbraw/zinc/76/03/34/625760334.db2.gz NRPNDCGLCIONML-UHFFFAOYSA-N 0 0 292.360 2.528 20 10 CFCDRN CC(C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000185774591 625775807 /nfs/dbraw/zinc/77/58/07/625775807.db2.gz KJBHWJXBYZLPKX-LLVKDONJSA-N 0 0 263.337 2.606 20 10 CFCDRN CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(F)F ZINC000834826996 625888450 /nfs/dbraw/zinc/88/84/50/625888450.db2.gz HCCDGVSVPPACHL-KWQFWETISA-N 0 0 287.306 2.873 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccc(F)c(F)c2C1 ZINC000768374621 625889320 /nfs/dbraw/zinc/88/93/20/625889320.db2.gz DSCJQQHPMIAOFI-UHFFFAOYSA-N 0 0 295.310 2.930 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877074 625906537 /nfs/dbraw/zinc/90/65/37/625906537.db2.gz UOSMPVLJVHDHOL-RKDXNWHRSA-N 0 0 273.323 2.871 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834877072 625906850 /nfs/dbraw/zinc/90/68/50/625906850.db2.gz UOSMPVLJVHDHOL-IUCAKERBSA-N 0 0 273.323 2.871 20 10 CFCDRN CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000834904118 625917462 /nfs/dbraw/zinc/91/74/62/625917462.db2.gz NBFGYSYJJPQXND-MGPQQGTHSA-N 0 0 299.798 2.890 20 10 CFCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834914401 625921185 /nfs/dbraw/zinc/92/11/85/625921185.db2.gz UPKGMFHHIOHFFD-WDBKCZKBSA-N 0 0 294.351 2.909 20 10 CFCDRN CCOCc1cc(CNCC(C)(F)F)ccc1OC ZINC000815147584 625930766 /nfs/dbraw/zinc/93/07/66/625930766.db2.gz ZGSPWJUESPMXJS-UHFFFAOYSA-N 0 0 273.323 2.977 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1O ZINC000186189224 626011900 /nfs/dbraw/zinc/01/19/00/626011900.db2.gz CUJHOACGYZHJQP-UKRRQHHQSA-N 0 0 251.370 2.840 20 10 CFCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)C1CCC1 ZINC000921655208 626049904 /nfs/dbraw/zinc/04/99/04/626049904.db2.gz PWHUKERPUYPBAA-VIFPVBQESA-N 0 0 266.316 2.519 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000851663035 634474489 /nfs/dbraw/zinc/47/44/89/634474489.db2.gz RKBLMMVMCVVKIC-YCPHGPKFSA-N 0 0 287.407 2.547 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000851709771 634481044 /nfs/dbraw/zinc/48/10/44/634481044.db2.gz YKHZZSUKVQDCKY-CJNGLKHVSA-N 0 0 290.407 2.685 20 10 CFCDRN OCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000922009197 626195675 /nfs/dbraw/zinc/19/56/75/626195675.db2.gz PWUOKTYFQKWMAB-HNNXBMFYSA-N 0 0 287.359 2.818 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NOC1CCCCC1 ZINC000922085807 626205646 /nfs/dbraw/zinc/20/56/46/626205646.db2.gz VYBRXRDGHOCORL-UHFFFAOYSA-N 0 0 282.315 2.595 20 10 CFCDRN Cn1cc(Cl)c(CNCc2ccc3c(c2)CCCO3)n1 ZINC000922160349 626221345 /nfs/dbraw/zinc/22/13/45/626221345.db2.gz VZOIYHSIIUMJNY-UHFFFAOYSA-N 0 0 291.782 2.688 20 10 CFCDRN CC(C)=CCCNC(=O)NCc1c(O)cccc1F ZINC000922163632 626226659 /nfs/dbraw/zinc/22/66/59/626226659.db2.gz QVMNEJQGDXCRRQ-UHFFFAOYSA-N 0 0 266.316 2.687 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1COC(C)(C)O1 ZINC000851723321 634489645 /nfs/dbraw/zinc/48/96/45/634489645.db2.gz XWUKLAIRKQOQLE-AWEZNQCLSA-N 0 0 277.364 2.599 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C[NH2+]1 ZINC000086466907 626397143 /nfs/dbraw/zinc/39/71/43/626397143.db2.gz MZSVDEYOWAPDEF-BDAKNGLRSA-N 0 0 289.206 2.881 20 10 CFCDRN O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(O)c1O ZINC000187111554 626454260 /nfs/dbraw/zinc/45/42/60/626454260.db2.gz ZKFNQBPQNUQZRD-OAHLLOKOSA-N 0 0 297.354 2.849 20 10 CFCDRN Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000923248881 626459773 /nfs/dbraw/zinc/45/97/73/626459773.db2.gz MIUPGQSXUUUVRG-BLLLJJGKSA-N 0 0 290.407 2.746 20 10 CFCDRN CN(C[C@@H](O)CCc1ccccc1)c1ccc(N)cc1 ZINC000923401870 626470750 /nfs/dbraw/zinc/47/07/50/626470750.db2.gz YWBHJBWQZJFEQG-KRWDZBQOSA-N 0 0 270.376 2.699 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000838474221 626498932 /nfs/dbraw/zinc/49/89/32/626498932.db2.gz HGMXLARCGCCLTH-ZBFHGGJFSA-N 0 0 292.379 2.635 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]c(C)n2)cc1 ZINC000103253826 626516796 /nfs/dbraw/zinc/51/67/96/626516796.db2.gz CLRFIVSMJFBNQH-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN CN(C)c1ccc(CN2CC(C(=O)OC(C)(C)C)C2)cc1 ZINC000839133474 626528084 /nfs/dbraw/zinc/52/80/84/626528084.db2.gz PLKGVCSOAVIPIA-UHFFFAOYSA-N 0 0 290.407 2.526 20 10 CFCDRN CCCN1CC(=O)N[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000840822828 626537915 /nfs/dbraw/zinc/53/79/15/626537915.db2.gz RKTSFVLRZKWIKC-QGZVFWFLSA-N 0 0 287.407 2.517 20 10 CFCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nnc(C)[nH]1 ZINC000839498374 626538253 /nfs/dbraw/zinc/53/82/53/626538253.db2.gz IWZINLSFRPXOLA-NSHDSACASA-N 0 0 274.368 2.792 20 10 CFCDRN C[C@@H](CO)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886556700 626539771 /nfs/dbraw/zinc/53/97/71/626539771.db2.gz INZJDEQBITYQDK-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000804966931 626540589 /nfs/dbraw/zinc/54/05/89/626540589.db2.gz GWEWOCOBLMXCBG-BBRMVZONSA-N 0 0 287.407 2.885 20 10 CFCDRN Cc1nc(C)c(NC(=O)NCc2ccccc2O)s1 ZINC000757243909 626546961 /nfs/dbraw/zinc/54/69/61/626546961.db2.gz ZFUYMSMTUWBDQK-UHFFFAOYSA-N 0 0 277.349 2.787 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)on1)CCC2 ZINC000839655963 626549670 /nfs/dbraw/zinc/54/96/70/626549670.db2.gz XWVHJSBEOXOBOH-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCCCCO)CCC2 ZINC000839657009 626549741 /nfs/dbraw/zinc/54/97/41/626549741.db2.gz XWUXOCFTHCZDDN-UHFFFAOYSA-N 0 0 279.380 2.619 20 10 CFCDRN Cc1cc(CN[C@H](C)c2csnn2)ccc1N(C)C ZINC000839664337 626550353 /nfs/dbraw/zinc/55/03/53/626550353.db2.gz YABIKNBWXPFRCM-LLVKDONJSA-N 0 0 276.409 2.763 20 10 CFCDRN COCC(C)(C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000839683029 626552199 /nfs/dbraw/zinc/55/21/99/626552199.db2.gz JUIRCWOHGXVIRP-UHFFFAOYSA-N 0 0 292.423 2.740 20 10 CFCDRN Cc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000809696820 626554241 /nfs/dbraw/zinc/55/42/41/626554241.db2.gz RRVXCAMRNXEJHF-PWSUYJOCSA-N 0 0 289.297 2.852 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c(O)c1 ZINC000839747276 626554276 /nfs/dbraw/zinc/55/42/76/626554276.db2.gz HEKURRNMWISCLE-CVEARBPZSA-N 0 0 297.354 2.821 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(N(C)C)cc1 ZINC000757702973 626559467 /nfs/dbraw/zinc/55/94/67/626559467.db2.gz HBKQEROWJYXWHZ-CJNGLKHVSA-N 0 0 290.407 2.826 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CC12CCCC2 ZINC000758548385 626598003 /nfs/dbraw/zinc/59/80/03/626598003.db2.gz RYNUPJYZZNOYKL-CYBMUJFWSA-N 0 0 260.337 2.524 20 10 CFCDRN O=C(OCc1cc(F)cc(F)c1)c1cccc(O)c1O ZINC000758561640 626598522 /nfs/dbraw/zinc/59/85/22/626598522.db2.gz PVYNQYNJKJFIQZ-UHFFFAOYSA-N 0 0 280.226 2.733 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnco1 ZINC000758569712 626598698 /nfs/dbraw/zinc/59/86/98/626598698.db2.gz MTWYNARACWRLOG-UHFFFAOYSA-N 0 0 287.363 2.791 20 10 CFCDRN O=C(OCc1ccnc(Cl)c1)c1cccc(O)c1O ZINC000758573539 626598859 /nfs/dbraw/zinc/59/88/59/626598859.db2.gz URGBASBIBSSTTJ-UHFFFAOYSA-N 0 0 279.679 2.503 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](C2CCCCC2)C1 ZINC000758745011 626606454 /nfs/dbraw/zinc/60/64/54/626606454.db2.gz NRRJKWPXIDVYIV-ZDUSSCGKSA-N 0 0 295.404 2.875 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)c3cnco3)cc2)CC1 ZINC000759035786 626625137 /nfs/dbraw/zinc/62/51/37/626625137.db2.gz QBUWQXUEBXCGCY-UHFFFAOYSA-N 0 0 299.374 2.841 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2ccsc2)C1 ZINC000759099377 626628096 /nfs/dbraw/zinc/62/80/96/626628096.db2.gz ODVZDRFAJDPORN-LLVKDONJSA-N 0 0 295.385 2.729 20 10 CFCDRN C[C@H](CNC(=O)NCCCSc1nccs1)C1CC1 ZINC000759567924 626672628 /nfs/dbraw/zinc/67/26/28/626672628.db2.gz CKCVWUWRFBVAPS-SNVBAGLBSA-N 0 0 299.465 2.971 20 10 CFCDRN Cc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)nc1 ZINC000759588108 626673551 /nfs/dbraw/zinc/67/35/51/626673551.db2.gz IGMGYNLYCMQRKC-QPJJXVBHSA-N 0 0 285.299 2.558 20 10 CFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC000759587764 626673833 /nfs/dbraw/zinc/67/38/33/626673833.db2.gz FEBXBTLTNOMLIB-OKPNEXGHSA-N 0 0 285.299 2.810 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C=CCCC1 ZINC000759595280 626674384 /nfs/dbraw/zinc/67/43/84/626674384.db2.gz JSJRUTQNXKXNIZ-ZVTBTPLYSA-N 0 0 260.289 2.763 20 10 CFCDRN C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759601954 626674567 /nfs/dbraw/zinc/67/45/67/626674567.db2.gz RDEYQRLSFYWSQR-JTQLQIEISA-N 0 0 285.438 2.677 20 10 CFCDRN CC(C)Oc1ccc(N(C)CCCN2CCOC2=O)cc1 ZINC000759934434 626703303 /nfs/dbraw/zinc/70/33/03/626703303.db2.gz VHZVAFZVZNZQAD-UHFFFAOYSA-N 0 0 292.379 2.752 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC12CCCC2 ZINC000760581211 626757191 /nfs/dbraw/zinc/75/71/91/626757191.db2.gz GKGVGJOVPAUFPL-YVARQFDVSA-N 0 0 273.332 2.560 20 10 CFCDRN CCOc1ccc(N(C)Cc2cc(=O)c(OC)co2)cc1 ZINC000760857536 626777938 /nfs/dbraw/zinc/77/79/38/626777938.db2.gz YASRXIUEJBRJTI-UHFFFAOYSA-N 0 0 289.331 2.684 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc[nH]1 ZINC000760864424 626779529 /nfs/dbraw/zinc/77/95/29/626779529.db2.gz VUMIROXMGYCIGK-LLVKDONJSA-N 0 0 273.336 2.623 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCSC1 ZINC000761928746 626872858 /nfs/dbraw/zinc/87/28/58/626872858.db2.gz PCDKKOOAQACAIJ-AWEZNQCLSA-N 0 0 290.432 2.656 20 10 CFCDRN CCC/C(C)=C\C(=O)NCCc1ccc(O)c(O)c1 ZINC000762261369 626908441 /nfs/dbraw/zinc/90/84/41/626908441.db2.gz KHYLVGDQPAYCHQ-LUAWRHEFSA-N 0 0 263.337 2.503 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C=C2CCCCC2)c1 ZINC000762804975 626939279 /nfs/dbraw/zinc/93/92/79/626939279.db2.gz LFTSIWPHRRFRPI-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(OC)c2)c(OC)c1 ZINC000762926787 626951354 /nfs/dbraw/zinc/95/13/54/626951354.db2.gz NWAKMGGQECMAND-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN CC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000763499185 626992142 /nfs/dbraw/zinc/99/21/42/626992142.db2.gz AWKNRAAZAVBOAA-CQSZACIVSA-N 0 0 291.391 2.831 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C2CC2)nn1 ZINC000764305331 627050414 /nfs/dbraw/zinc/05/04/14/627050414.db2.gz HTNBDPYLMUDYFY-UHFFFAOYSA-N 0 0 298.346 2.724 20 10 CFCDRN COCc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)o1 ZINC000764412967 627058561 /nfs/dbraw/zinc/05/85/61/627058561.db2.gz HXIYOXJKKHFAKG-IZZDOVSWSA-N 0 0 295.385 2.790 20 10 CFCDRN COc1ccsc1/C=C1\SC(=S)N(C)C1=O ZINC000764412988 627058771 /nfs/dbraw/zinc/05/87/71/627058771.db2.gz IMPRJGUMBBZFDT-YVMONPNESA-N 0 0 271.388 2.588 20 10 CFCDRN Cc1nccc(NCc2cccc(Br)c2O)n1 ZINC000764935552 627107765 /nfs/dbraw/zinc/10/77/65/627107765.db2.gz WQEMREABZDRCAJ-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CCN(C[C@@H](OC)[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000851828504 634549687 /nfs/dbraw/zinc/54/96/87/634549687.db2.gz QVQLSPUBGXVPCJ-CZUORRHYSA-N 0 0 279.380 2.573 20 10 CFCDRN Oc1ccc2ccncc2c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000765726278 627155748 /nfs/dbraw/zinc/15/57/48/627155748.db2.gz XWZMCNCRWLJPBG-UHFFFAOYSA-N 0 0 284.359 2.695 20 10 CFCDRN C[C@@H](CCCc1cccnc1)NC(=O)C1=CC(=O)CS1 ZINC000839798866 627170640 /nfs/dbraw/zinc/17/06/40/627170640.db2.gz HEBJPTRSQLNDLC-NSHDSACASA-N 0 0 290.388 2.990 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1ccn(C)c(=O)c1 ZINC000766268983 627188592 /nfs/dbraw/zinc/18/85/92/627188592.db2.gz HYUUXGAMTIMRAM-UHFFFAOYSA-N 0 0 298.386 2.737 20 10 CFCDRN CC[C@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1 ZINC000766340318 627196224 /nfs/dbraw/zinc/19/62/24/627196224.db2.gz JYHKBAZZSGITDT-ZDUSSCGKSA-N 0 0 288.391 2.664 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(CO)CCC2)cc1 ZINC000767890165 627291469 /nfs/dbraw/zinc/29/14/69/627291469.db2.gz SAVICLOGKOLGBI-UHFFFAOYSA-N 0 0 298.386 2.739 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2COC(C)(C)O2)c(OC)c1 ZINC000851864561 634562731 /nfs/dbraw/zinc/56/27/31/634562731.db2.gz DQQYCUFPPZTOTC-CYBMUJFWSA-N 0 0 295.379 2.682 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nc(C)n2)c(OC)c1 ZINC000851865726 634563351 /nfs/dbraw/zinc/56/33/51/634563351.db2.gz XKZLAUUBWWRWNQ-UHFFFAOYSA-N 0 0 287.363 2.747 20 10 CFCDRN COc1cccc(O)c1CN(C)Cc1nccn1C(F)F ZINC000768350193 627335424 /nfs/dbraw/zinc/33/54/24/627335424.db2.gz RVQKIVCLIPDRFR-UHFFFAOYSA-N 0 0 297.305 2.624 20 10 CFCDRN COc1ccc(N(CC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000768543081 627352365 /nfs/dbraw/zinc/35/23/65/627352365.db2.gz XSLANUSOFMDJEH-INIZCTEOSA-N 0 0 295.423 2.944 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccsc1 ZINC000768900650 627385526 /nfs/dbraw/zinc/38/55/26/627385526.db2.gz LOMUIZBCPDKAMV-JTQLQIEISA-N 0 0 291.372 2.622 20 10 CFCDRN CCOC(=O)CN(Cc1ccc(OCC)cc1O)C(C)C ZINC000768926172 627386593 /nfs/dbraw/zinc/38/65/93/627386593.db2.gz JFOZTFBOYJJEKY-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN CCOc1ccc(CN(CCOC)CC(F)F)c(O)c1 ZINC000769304663 627421143 /nfs/dbraw/zinc/42/11/43/627421143.db2.gz AGOBUMQRXHLYOX-UHFFFAOYSA-N 0 0 289.322 2.504 20 10 CFCDRN CN(Cc1ccon1)Cc1cc(Cl)ccc1O ZINC000769467003 627444447 /nfs/dbraw/zinc/44/44/47/627444447.db2.gz QGGKWSFRNJAQGA-UHFFFAOYSA-N 0 0 252.701 2.666 20 10 CFCDRN COc1cccc(CNC(=O)C(F)=C2CCCC2)c1O ZINC000769507099 627449110 /nfs/dbraw/zinc/44/91/10/627449110.db2.gz GSCADUXMFCMBND-UHFFFAOYSA-N 0 0 279.311 2.815 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000769513825 627449919 /nfs/dbraw/zinc/44/99/19/627449919.db2.gz FOEGLJWHBVPBIR-DZGCQCFKSA-N 0 0 291.391 2.649 20 10 CFCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000769524585 627451342 /nfs/dbraw/zinc/45/13/42/627451342.db2.gz OZQSBFUYKWZGRY-LBPRGKRZSA-N 0 0 296.386 2.664 20 10 CFCDRN C[C@H]([NH2+]CC1(CO)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769994816 627495242 /nfs/dbraw/zinc/49/52/42/627495242.db2.gz JQPBPWURNWBOQW-NSHDSACASA-N 0 0 294.351 2.504 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1O ZINC000770465475 627524136 /nfs/dbraw/zinc/52/41/36/627524136.db2.gz CNQCJNMYZOYRHO-IRUJWGPZSA-N 0 0 277.364 2.961 20 10 CFCDRN COC(=O)[C@H]1c2ccccc2CCN1Cc1ccccc1O ZINC000770506106 627525772 /nfs/dbraw/zinc/52/57/72/627525772.db2.gz RZJDGRNVXXIXJH-QGZVFWFLSA-N 0 0 297.354 2.665 20 10 CFCDRN COC(=O)CN(Cc1ccccc1)Cc1ccccc1O ZINC000770510016 627526815 /nfs/dbraw/zinc/52/68/15/627526815.db2.gz VNUDCJQXIBNSNA-UHFFFAOYSA-N 0 0 285.343 2.567 20 10 CFCDRN O=C(NCc1ccccc1O)c1ncccc1C(F)(F)F ZINC000770790328 627548569 /nfs/dbraw/zinc/54/85/69/627548569.db2.gz DWLINSSIFOXMMT-UHFFFAOYSA-N 0 0 296.248 2.736 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@](C)(O)C(C)C)cc1 ZINC000771212531 627584514 /nfs/dbraw/zinc/58/45/14/627584514.db2.gz BOTYLBBIPQQJFR-QGZVFWFLSA-N 0 0 292.423 2.556 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccc(F)cc2C1 ZINC000771688280 627623627 /nfs/dbraw/zinc/62/36/27/627623627.db2.gz ZVCHZJQZFBBPQF-UHFFFAOYSA-N 0 0 277.320 2.791 20 10 CFCDRN CCOc1ccc(C[N@H+](CCO)C2CCCCC2)c(O)c1 ZINC000771933568 627650768 /nfs/dbraw/zinc/65/07/68/627650768.db2.gz NMKIGAPKADFJAI-UHFFFAOYSA-N 0 0 293.407 2.918 20 10 CFCDRN C[C@H](Nc1ccc2nccnc2n1)c1ccc(N(C)C)cc1 ZINC000772297992 627698282 /nfs/dbraw/zinc/69/82/82/627698282.db2.gz PKSBGKXBSNTZSR-LBPRGKRZSA-N 0 0 293.374 2.637 20 10 CFCDRN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000772472421 627712221 /nfs/dbraw/zinc/71/22/21/627712221.db2.gz SFAKFYUZMJJWOL-GXFFZTMASA-N 0 0 291.372 2.696 20 10 CFCDRN Cc1csc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000772777456 627743652 /nfs/dbraw/zinc/74/36/52/627743652.db2.gz VEHGZKLIHXFDCU-HWKANZROSA-N 0 0 291.328 2.619 20 10 CFCDRN COc1ncccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773010247 627768433 /nfs/dbraw/zinc/76/84/33/627768433.db2.gz SAVQJXOQNCJVIQ-LBPRGKRZSA-N 0 0 299.374 2.647 20 10 CFCDRN C[C@H](NC(=O)c1ccncc1F)c1ccc(N(C)C)cc1 ZINC000773013500 627769141 /nfs/dbraw/zinc/76/91/41/627769141.db2.gz YYSVBRPLVVGXQV-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN C[C@H](NC(=O)c1cscn1)c1ccc(N(C)C)cc1 ZINC000773018631 627769498 /nfs/dbraw/zinc/76/94/98/627769498.db2.gz YTJSXEZNFKMKHW-JTQLQIEISA-N 0 0 275.377 2.700 20 10 CFCDRN C[C@@H](NC(=O)/C=C\C1CC1)c1ccc(N(C)C)cc1 ZINC000773019034 627769720 /nfs/dbraw/zinc/76/97/20/627769720.db2.gz OAFXABXMUREOCS-HUMZTAOYSA-N 0 0 258.365 2.896 20 10 CFCDRN CCc1n[nH]cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020753 627769760 /nfs/dbraw/zinc/76/97/60/627769760.db2.gz VKPGAUIOVDFJLR-LLVKDONJSA-N 0 0 286.379 2.529 20 10 CFCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000773020534 627770181 /nfs/dbraw/zinc/77/01/81/627770181.db2.gz PADSMCUONGARGX-ZDUSSCGKSA-N 0 0 283.375 2.947 20 10 CFCDRN CCN(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773086618 627781902 /nfs/dbraw/zinc/78/19/02/627781902.db2.gz FEADNGLNKPWGHO-GFCCVEGCSA-N 0 0 263.385 2.865 20 10 CFCDRN CCC/C(C)=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773739473 627853450 /nfs/dbraw/zinc/85/34/50/627853450.db2.gz ALQVMDRDVSPIOG-OBIHZWKSSA-N 0 0 277.364 2.891 20 10 CFCDRN CCN(C)c1ccc(CNC(C)(C)c2noc(C)n2)cc1 ZINC000773774153 627857778 /nfs/dbraw/zinc/85/77/78/627857778.db2.gz QZILEPNSSSFINS-UHFFFAOYSA-N 0 0 288.395 2.859 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904344 627978405 /nfs/dbraw/zinc/97/84/05/627978405.db2.gz RAEJZKOKWPUMMW-UWVGGRQHSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC2CCCC2)ccc1[N+](=O)[O-] ZINC000774949258 627980809 /nfs/dbraw/zinc/98/08/09/627980809.db2.gz KUPULXPZXFAJIJ-UHFFFAOYSA-N 0 0 294.351 2.979 20 10 CFCDRN COc1c([O-])c(C[NH2+]C(C)(C)C(C)C)ccc1[N+](=O)[O-] ZINC000775031956 627986440 /nfs/dbraw/zinc/98/64/40/627986440.db2.gz WDFVYXRZFNTKSO-UHFFFAOYSA-N 0 0 282.340 2.833 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000775585107 628042796 /nfs/dbraw/zinc/04/27/96/628042796.db2.gz BGQUVXULOJAIKB-BZHVJNSISA-N 0 0 271.307 2.625 20 10 CFCDRN Cc1ncc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000775601812 628045183 /nfs/dbraw/zinc/04/51/83/628045183.db2.gz YJVUMGOCLUFRFS-LLVKDONJSA-N 0 0 299.378 2.734 20 10 CFCDRN C[NH+](C)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775654284 628050055 /nfs/dbraw/zinc/05/00/55/628050055.db2.gz WNUJPUWYMZPCAK-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CC(C)(C)C[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000775681774 628054001 /nfs/dbraw/zinc/05/40/01/628054001.db2.gz TUTASNCUGFIABP-UHFFFAOYSA-N 0 0 271.788 2.886 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000775681200 628054494 /nfs/dbraw/zinc/05/44/94/628054494.db2.gz NNQUSCPZPTZKDM-ZDUSSCGKSA-N 0 0 298.789 2.853 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000775680817 628054737 /nfs/dbraw/zinc/05/47/37/628054737.db2.gz JPBXDLZGYKHIIV-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCc3c[nH]nc3C2)c1O ZINC000775715048 628058478 /nfs/dbraw/zinc/05/84/78/628058478.db2.gz ZYBCREJJCJGCNK-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN CCOC(=O)[C@@H](CC)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833621 628073926 /nfs/dbraw/zinc/07/39/26/628073926.db2.gz FLUJNEQZZRIUMX-SWLSCSKDSA-N 0 0 278.396 2.745 20 10 CFCDRN CCC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776175443 628111804 /nfs/dbraw/zinc/11/18/04/628111804.db2.gz LQQGSBWUYKKDOP-CYBMUJFWSA-N 0 0 275.751 2.825 20 10 CFCDRN CCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776175444 628111959 /nfs/dbraw/zinc/11/19/59/628111959.db2.gz LQQGSBWUYKKDOP-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNCc1nccs1 ZINC000776174762 628112016 /nfs/dbraw/zinc/11/20/16/628112016.db2.gz SPJFQTXEWITPOK-UHFFFAOYSA-N 0 0 261.394 2.807 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776245685 628121268 /nfs/dbraw/zinc/12/12/68/628121268.db2.gz MQRADJJSPOPZFG-NEPJUHHUSA-N 0 0 261.369 2.617 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000776250034 628121997 /nfs/dbraw/zinc/12/19/97/628121997.db2.gz CYHJPWVRJQCYDK-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000776392572 628142048 /nfs/dbraw/zinc/14/20/48/628142048.db2.gz RHBUOPHOABUIJZ-ZZXKWVIFSA-N 0 0 293.729 2.889 20 10 CFCDRN C[C@@H]1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000777483451 628229849 /nfs/dbraw/zinc/22/98/49/628229849.db2.gz QVEQPLDYYVUJIM-SNVBAGLBSA-N 0 0 286.778 2.616 20 10 CFCDRN CCOc1ccc(CNc2nc(C3CC3)no2)c(O)c1 ZINC000777520673 628231956 /nfs/dbraw/zinc/23/19/56/628231956.db2.gz RXUNORGFYYADAX-UHFFFAOYSA-N 0 0 275.308 2.663 20 10 CFCDRN COCC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(C)o1 ZINC000778515063 628311471 /nfs/dbraw/zinc/31/14/71/628311471.db2.gz NEQWUFXILMRKFR-NSHDSACASA-N 0 0 295.360 2.863 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC=CCC1 ZINC000778620582 628320903 /nfs/dbraw/zinc/32/09/03/628320903.db2.gz OMHQZYFWZOYDID-UHFFFAOYSA-N 0 0 285.391 2.758 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778918249 628339650 /nfs/dbraw/zinc/33/96/50/628339650.db2.gz HZLPNASBPYFSPJ-WCQYABFASA-N 0 0 277.364 2.930 20 10 CFCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778923290 628339820 /nfs/dbraw/zinc/33/98/20/628339820.db2.gz OLRNHEJOLNSJKA-HNNXBMFYSA-N 0 0 299.370 2.983 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(O)c(O)c1)C1CCCC1 ZINC000778923762 628340464 /nfs/dbraw/zinc/34/04/64/628340464.db2.gz SFQONYROODKORO-JTQLQIEISA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cc(C(=O)N2CC=CCC2)c(C)n1-c1ccccn1 ZINC000778988283 628343090 /nfs/dbraw/zinc/34/30/90/628343090.db2.gz FJULHWAEAANVQU-UHFFFAOYSA-N 0 0 281.359 2.891 20 10 CFCDRN Oc1ccccc1CNc1ccc(N2CCCC2)cn1 ZINC000779060438 628348997 /nfs/dbraw/zinc/34/89/97/628348997.db2.gz GEIJYNKKMHVVCO-UHFFFAOYSA-N 0 0 269.348 3.000 20 10 CFCDRN CCC[C@](C)(NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000779431886 628381560 /nfs/dbraw/zinc/38/15/60/628381560.db2.gz SRFVFDKACNONBY-INIZCTEOSA-N 0 0 296.386 2.713 20 10 CFCDRN C[C@@H](C1CC1)n1cc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000779434397 628382518 /nfs/dbraw/zinc/38/25/18/628382518.db2.gz BJEKORPZQXROHQ-QMMMGPOBSA-N 0 0 277.349 2.874 20 10 CFCDRN COc1ccc2nc(CSc3nccs3)[nH]c2n1 ZINC000779464882 628384265 /nfs/dbraw/zinc/38/42/65/628384265.db2.gz YLLSYRNSPDDZSY-UHFFFAOYSA-N 0 0 278.362 2.715 20 10 CFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c[nH]nc2c1 ZINC000779493352 628385365 /nfs/dbraw/zinc/38/53/65/628385365.db2.gz PZAQLPITNWHHJC-KXFIGUGUSA-N 0 0 295.298 2.626 20 10 CFCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CCC1 ZINC000779522181 628386237 /nfs/dbraw/zinc/38/62/37/628386237.db2.gz YCQATLJNNMTHEA-CLFYSBASSA-N 0 0 261.321 2.512 20 10 CFCDRN C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000779519891 628386299 /nfs/dbraw/zinc/38/62/99/628386299.db2.gz FQAVXPAVEISDMC-BPOWMSRESA-N 0 0 277.364 2.909 20 10 CFCDRN C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000779519893 628386544 /nfs/dbraw/zinc/38/65/44/628386544.db2.gz FQAVXPAVEISDMC-JYKYSHPRSA-N 0 0 277.364 2.909 20 10 CFCDRN Cc1ccncc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779548044 628387621 /nfs/dbraw/zinc/38/76/21/628387621.db2.gz PICTVOYHYCQBIK-FVOPLDGLSA-N 0 0 298.342 2.692 20 10 CFCDRN CCOCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000779599184 628389454 /nfs/dbraw/zinc/38/94/54/628389454.db2.gz RCOHRAXCZVDPPQ-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NOC1CCCCC1 ZINC000779683166 628393390 /nfs/dbraw/zinc/39/33/90/628393390.db2.gz WGRWVNBECIWDFD-UHFFFAOYSA-N 0 0 278.352 2.798 20 10 CFCDRN CCOc1ccc(N(CC)Cc2noc(COC)n2)cc1 ZINC000780301125 628453130 /nfs/dbraw/zinc/45/31/30/628453130.db2.gz GKOPZRDLGJROCS-UHFFFAOYSA-N 0 0 291.351 2.641 20 10 CFCDRN CN(C(=O)C1=CC(=O)CS1)[C@H](CCO)c1ccccc1 ZINC000780691054 628487748 /nfs/dbraw/zinc/48/77/48/628487748.db2.gz AWYWHEZCNDIAFZ-CYBMUJFWSA-N 0 0 291.372 2.649 20 10 CFCDRN CN(Cc1n[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000780778457 628496329 /nfs/dbraw/zinc/49/63/29/628496329.db2.gz KHYTUOOKPBQXOZ-UHFFFAOYSA-N 0 0 281.315 2.928 20 10 CFCDRN C[C@@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)CCO1 ZINC000780778701 628496437 /nfs/dbraw/zinc/49/64/37/628496437.db2.gz PAJLPGNVZGPYLA-NEPJUHHUSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc2c(c1)N(Cc1cc3c(cc1O)OCO3)CC2 ZINC000780772534 628496678 /nfs/dbraw/zinc/49/66/78/628496678.db2.gz CLZNXZQMJDFJQV-UHFFFAOYSA-N 0 0 283.327 2.992 20 10 CFCDRN Cc1ccc(O)c(CN2CCN3CCOc4cccc2c43)c1 ZINC000780782362 628497236 /nfs/dbraw/zinc/49/72/36/628497236.db2.gz QBMRLMZZDJVMQZ-UHFFFAOYSA-N 0 0 296.370 2.920 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000780790100 628498111 /nfs/dbraw/zinc/49/81/11/628498111.db2.gz TYNMKFRWLAHXDE-YPMHNXCESA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c(O)c1O ZINC000780906546 628503692 /nfs/dbraw/zinc/50/36/92/628503692.db2.gz DKSHQXBZBNQAEM-AWEZNQCLSA-N 0 0 298.342 2.779 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]nc1-c1ccsc1 ZINC000780931181 628505868 /nfs/dbraw/zinc/50/58/68/628505868.db2.gz SKHQCCDFOMOPNP-UHFFFAOYSA-N 0 0 299.355 2.774 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c(O)c1O ZINC000780936366 628505940 /nfs/dbraw/zinc/50/59/40/628505940.db2.gz BEGSOUJODUROSS-UFGOTCBOSA-N 0 0 277.364 2.961 20 10 CFCDRN Cc1ccc(C(=O)N2CCCCC[C@@H]2C)c(O)c1O ZINC000780943555 628506854 /nfs/dbraw/zinc/50/68/54/628506854.db2.gz KUILMDQGLNZTCT-NSHDSACASA-N 0 0 263.337 2.811 20 10 CFCDRN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780955652 628507725 /nfs/dbraw/zinc/50/77/25/628507725.db2.gz SHEZPLWBLIOYOD-KOLCDFICSA-N 0 0 265.353 2.961 20 10 CFCDRN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C)c(O)c1O ZINC000780955292 628507759 /nfs/dbraw/zinc/50/77/59/628507759.db2.gz MKGRTMMDZALXGB-GXSJLCMTSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1cc(C(=O)N2CC(F)(F)C2)c(C)n1-c1ccccn1 ZINC000780970615 628509575 /nfs/dbraw/zinc/50/95/75/628509575.db2.gz PTXBVWHWEQFLKG-UHFFFAOYSA-N 0 0 291.301 2.580 20 10 CFCDRN Cc1ccc(C(=O)N(CC(F)F)CC2CCC2)c(O)c1O ZINC000780996330 628511676 /nfs/dbraw/zinc/51/16/76/628511676.db2.gz BSAMOGFCTNIAIR-UHFFFAOYSA-N 0 0 299.317 2.914 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2C[C@H]2C1 ZINC000852138815 634668699 /nfs/dbraw/zinc/66/86/99/634668699.db2.gz UJBZMJRGIOYFDC-HOTGVXAUSA-N 0 0 297.402 2.614 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000782633423 628651157 /nfs/dbraw/zinc/65/11/57/628651157.db2.gz HIVGSEKMKJUTNY-UMNHJUIQSA-N 0 0 295.354 2.732 20 10 CFCDRN C[C@@H](NCc1cn(C)nn1)c1ccc(N2CCCCC2)cc1 ZINC000783532946 628718094 /nfs/dbraw/zinc/71/80/94/628718094.db2.gz KSODTDWHTIEVJD-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC[C@H]1CCOC1 ZINC000783665234 628732244 /nfs/dbraw/zinc/73/22/44/628732244.db2.gz PXZAKGOSWONCIE-ZDUSSCGKSA-N 0 0 261.365 2.874 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@@H](C)O1 ZINC000783738439 628740288 /nfs/dbraw/zinc/74/02/88/628740288.db2.gz VKHWCXOJFSRBKS-FRRDWIJNSA-N 0 0 280.387 2.889 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1conc1C)CCC2 ZINC000852173905 634680548 /nfs/dbraw/zinc/68/05/48/634680548.db2.gz ZQQRPDGWNFYYBK-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000784165027 628787025 /nfs/dbraw/zinc/78/70/25/628787025.db2.gz GZGZAKOKDGLVRV-UHFFFAOYSA-N 0 0 281.356 2.885 20 10 CFCDRN CC(C)[C@H](F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000784165365 628787372 /nfs/dbraw/zinc/78/73/72/628787372.db2.gz VUVWUCTZUOYAOQ-FZMZJTMJSA-N 0 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CFCDRN COC(=O)[C@H](NCc1cc(C)ccc1O)c1cccs1 ZINC000789573414 629167584 /nfs/dbraw/zinc/16/75/84/629167584.db2.gz XKDFCGXUNFDPBF-CQSZACIVSA-N 0 0 291.372 2.766 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OCC(C)C)cc1C ZINC000789577799 629167853 /nfs/dbraw/zinc/16/78/53/629167853.db2.gz SCWWULLCHWAGNP-ZDUSSCGKSA-N 0 0 279.380 2.686 20 10 CFCDRN O=C([O-])C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000789901874 629195851 /nfs/dbraw/zinc/19/58/51/629195851.db2.gz GBTBAWKNTLIIAP-UHFFFAOYSA-N 0 0 288.391 2.774 20 10 CFCDRN O=C(CCSc1nccs1)Nc1cccnc1 ZINC000790259823 629223665 /nfs/dbraw/zinc/22/36/65/629223665.db2.gz JLZZDOYZVCCKIS-UHFFFAOYSA-N 0 0 265.363 2.659 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1F ZINC000790523337 629245084 /nfs/dbraw/zinc/24/50/84/629245084.db2.gz RJJYPSXPNAMYKL-MRVPVSSYSA-N 0 0 293.269 2.867 20 10 CFCDRN Cn1ccc2c1cccc2NC(=O)c1cccc(O)c1O ZINC000790628599 629253676 /nfs/dbraw/zinc/25/36/76/629253676.db2.gz BPHXDWGTNWFAAD-UHFFFAOYSA-N 0 0 282.299 2.842 20 10 CFCDRN 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CFCDRN CN(C)c1ccc(/C=C\CNc2cnn(C)c2)cc1 ZINC000835035706 629330338 /nfs/dbraw/zinc/33/03/38/629330338.db2.gz DRRFRCINQFORQQ-PLNGDYQASA-N 0 0 256.353 2.611 20 10 CFCDRN Cc1cn2c(n1)CN(C/C=C\c1ccc(N(C)C)cc1)CC2 ZINC000835048356 629345603 /nfs/dbraw/zinc/34/56/03/629345603.db2.gz QLAOTWMZQUVKMA-PLNGDYQASA-N 0 0 296.418 2.787 20 10 CFCDRN CN(C)c1ccc(/C=C\CNc2ccc(CCO)nc2)cc1 ZINC000835054433 629357472 /nfs/dbraw/zinc/35/74/72/629357472.db2.gz VMBFAFLNILVCOV-ARJAWSKDSA-N 0 0 297.402 2.808 20 10 CFCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000835086718 629385188 /nfs/dbraw/zinc/38/51/88/629385188.db2.gz LHEXYRYOZJSRKQ-PSASIEDQSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000792029605 629390639 /nfs/dbraw/zinc/39/06/39/629390639.db2.gz XXUKUHFCYPTUCM-KBPBESRZSA-N 0 0 287.407 2.979 20 10 CFCDRN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C[N@@H+]1C ZINC000792173858 629406074 /nfs/dbraw/zinc/40/60/74/629406074.db2.gz DPMCGKGFLXKNHX-ZJUUUORDSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@](O)(CNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000792511260 629429235 /nfs/dbraw/zinc/42/92/35/629429235.db2.gz ALPNMNFSUVDUJJ-AWEZNQCLSA-N 0 0 283.393 2.515 20 10 CFCDRN COCCN(C(=O)C1=CC(=O)CS1)[C@H]1CC[C@@H](C)C1 ZINC000792516188 629429579 /nfs/dbraw/zinc/42/95/79/629429579.db2.gz GSWXBHHCVURPEU-MNOVXSKESA-N 0 0 283.393 2.731 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)c1ccc2cc[nH]c2c1 ZINC000792578685 629435847 /nfs/dbraw/zinc/43/58/47/629435847.db2.gz MXJWECSUMIFDJC-UHFFFAOYSA-N 0 0 282.299 2.856 20 10 CFCDRN CC[C@@H](C)[C@H](OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792878960 629461350 /nfs/dbraw/zinc/46/13/50/629461350.db2.gz YIIIRMVFVHCOEN-CJNGLKHVSA-N 0 0 292.423 2.772 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2CC[C@H](C)CC2)c(O)c1 ZINC000792997478 629474219 /nfs/dbraw/zinc/47/42/19/629474219.db2.gz MEHKKXCVRFZXNJ-AULYBMBSSA-N 0 0 292.379 2.779 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)cc1O ZINC000792998931 629474560 /nfs/dbraw/zinc/47/45/60/629474560.db2.gz 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297.370 2.768 20 10 CFCDRN CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccc(F)cc1[O-] ZINC000796836016 629975697 /nfs/dbraw/zinc/97/56/97/629975697.db2.gz GSRHRIWQJMLAHW-CQSZACIVSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796937923 629991759 /nfs/dbraw/zinc/99/17/59/629991759.db2.gz QRHSTFUAMMKKAN-RISCZKNCSA-N 0 0 267.344 2.999 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000797065614 630012268 /nfs/dbraw/zinc/01/22/68/630012268.db2.gz MOGZGKNIORCXCZ-OUJBWJOFSA-N 0 0 295.404 2.581 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000852565107 634781364 /nfs/dbraw/zinc/78/13/64/634781364.db2.gz NADBYSVYSBKLAN-SGMGOOAPSA-N 0 0 274.364 2.628 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797128793 630022410 /nfs/dbraw/zinc/02/24/10/630022410.db2.gz KFJAEVPKFWSDPY-AUTRQRHGSA-N 0 0 250.298 2.750 20 10 CFCDRN CC1=C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000797412801 630063209 /nfs/dbraw/zinc/06/32/09/630063209.db2.gz ZPQKWIMXAIWDTL-CYBMUJFWSA-N 0 0 287.407 2.860 20 10 CFCDRN Cc1ccc(C(=O)Nc2cn(C)nc2C(C)C)c(O)c1O ZINC000797763246 630100799 /nfs/dbraw/zinc/10/07/99/630100799.db2.gz JIWYXQLOIAENBE-UHFFFAOYSA-N 0 0 289.335 2.515 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]ccc2C)c1 ZINC000797942231 630128450 /nfs/dbraw/zinc/12/84/50/630128450.db2.gz CMTNOJHCNOJRSX-JTQLQIEISA-N 0 0 274.320 2.528 20 10 CFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCF)c2C)cc1 ZINC000798058903 630144808 /nfs/dbraw/zinc/14/48/08/630144808.db2.gz BCDLVUNZDAENIX-UHFFFAOYSA-N 0 0 290.338 2.802 20 10 CFCDRN O=C(NC[C@@H]1CCC(F)(F)C1)C1=CC(=O)CS1 ZINC000798116213 630152637 /nfs/dbraw/zinc/15/26/37/630152637.db2.gz HPVIKCCLEZLJBR-SSDOTTSWSA-N 0 0 261.293 2.619 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000798352376 630181591 /nfs/dbraw/zinc/18/15/91/630181591.db2.gz QGZIRKWLBGJKGA-UKRRQHHQSA-N 0 0 289.423 2.988 20 10 CFCDRN COc1ncc(CSc2nccs2)c(C)n1 ZINC000798369084 630182770 /nfs/dbraw/zinc/18/27/70/630182770.db2.gz PXIPKCYACUEADY-UHFFFAOYSA-N 0 0 253.352 2.542 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C)c1 ZINC000798410884 630188351 /nfs/dbraw/zinc/18/83/51/630188351.db2.gz CAMHYFODWMZVPM-NWDGAFQWSA-N 0 0 292.379 2.636 20 10 CFCDRN CC(C)[C@H](NC(=O)NCc1ccccc1O)C1CC1 ZINC000852648165 634797493 /nfs/dbraw/zinc/79/74/93/634797493.db2.gz HXGPYRBXLOTNBD-AWEZNQCLSA-N 0 0 262.353 2.626 20 10 CFCDRN CCOc1ccc(CN(CC(=O)OC)[C@H](C)CC)c(O)c1 ZINC000798955926 630264228 /nfs/dbraw/zinc/26/42/28/630264228.db2.gz ZDNDFOZILBZUHA-GFCCVEGCSA-N 0 0 295.379 2.564 20 10 CFCDRN COc1ccc(CNCc2ncnn2C(C)(C)C)cc1C ZINC000800294162 630367555 /nfs/dbraw/zinc/36/75/55/630367555.db2.gz ZABRUWIJBJJMIP-UHFFFAOYSA-N 0 0 288.395 2.640 20 10 CFCDRN CCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839912721 630398602 /nfs/dbraw/zinc/39/86/02/630398602.db2.gz HELWOYRDTWHDBP-ZDUSSCGKSA-N 0 0 262.397 2.908 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CCC1 ZINC000839913704 630399619 /nfs/dbraw/zinc/39/96/19/630399619.db2.gz OKAWSOLBXISZFP-CYBMUJFWSA-N 0 0 274.408 2.908 20 10 CFCDRN Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000800729949 630402688 /nfs/dbraw/zinc/40/26/88/630402688.db2.gz GAQSEDNSRZXXGF-UHFFFAOYSA-N 0 0 299.422 2.750 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000839920594 630403541 /nfs/dbraw/zinc/40/35/41/630403541.db2.gz RHWVNOVMKDYEQG-ZENOOKHLSA-N 0 0 274.408 2.764 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cc(F)ccc21 ZINC000801545075 630455702 /nfs/dbraw/zinc/45/57/02/630455702.db2.gz GKSWGVMFOHPZEN-KXFIGUGUSA-N 0 0 299.301 2.839 20 10 CFCDRN CCCC[N@H+](CC(=O)NCC(C)C)Cc1ccccc1O ZINC000801597816 630461846 /nfs/dbraw/zinc/46/18/46/630461846.db2.gz OYFCNUOFGHTQJJ-UHFFFAOYSA-N 0 0 292.423 2.767 20 10 CFCDRN CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(F)ccc1O ZINC000840828936 630538391 /nfs/dbraw/zinc/53/83/91/630538391.db2.gz XXTFRQRCNLOERV-ZDUSSCGKSA-N 0 0 294.370 2.786 20 10 CFCDRN CC[C@H](C)CCC(=O)NCc1cc(OC)ccc1O ZINC000802783501 630546803 /nfs/dbraw/zinc/54/68/03/630546803.db2.gz UNGRDSBUMMUBBR-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN O=C(OC[C@@H]1Cc2ccccc21)C1=CC(=O)CS1 ZINC000803345752 630604035 /nfs/dbraw/zinc/60/40/35/630604035.db2.gz GIAZMDXBNSCPNH-JTQLQIEISA-N 0 0 260.314 2.950 20 10 CFCDRN COc1ccc2c(c1)CCCN2CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840031680 630663658 /nfs/dbraw/zinc/66/36/58/630663658.db2.gz JUUCTUCGNPDBDL-CHWSQXEVSA-N 0 0 288.391 2.520 20 10 CFCDRN CC[C@H]([NH2+]CC(=O)N(CC)CC)c1cccc(Cl)c1[O-] ZINC000806133652 630771469 /nfs/dbraw/zinc/77/14/69/630771469.db2.gz PKENZQJLHLVWHT-ZDUSSCGKSA-N 0 0 298.814 2.955 20 10 CFCDRN C[C@H]([NH2+]CC1=CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000806178423 630780367 /nfs/dbraw/zinc/78/03/67/630780367.db2.gz TYHPJCFPFRDZFQ-VIFPVBQESA-N 0 0 269.291 2.668 20 10 CFCDRN C[C@H](F)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000836319425 630791839 /nfs/dbraw/zinc/79/18/39/630791839.db2.gz ACGMDJBEWXUOAE-ZDUSSCGKSA-N 0 0 291.370 2.610 20 10 CFCDRN Cc1ccnc(C)c1NC(=O)NCc1ccccc1O ZINC000806537439 630808559 /nfs/dbraw/zinc/80/85/59/630808559.db2.gz YPNMSDWEKZICQP-UHFFFAOYSA-N 0 0 271.320 2.726 20 10 CFCDRN C[C@@H](NC(=O)NCC[C@H](C)F)c1ccc(N(C)C)cc1 ZINC000836405652 630811425 /nfs/dbraw/zinc/81/14/25/630811425.db2.gz KJCOYLDKVCUUQQ-NWDGAFQWSA-N 0 0 281.375 2.861 20 10 CFCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1cccc(F)c1 ZINC000806572950 630815270 /nfs/dbraw/zinc/81/52/70/630815270.db2.gz SWKADRFTWWRFGV-UHFFFAOYSA-N 0 0 298.321 2.708 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](C)F)c1 ZINC000836480595 630830565 /nfs/dbraw/zinc/83/05/65/630830565.db2.gz CJMUVZGDUBFWHZ-VHSXEESVSA-N 0 0 284.331 2.509 20 10 CFCDRN CCOC1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000836480501 630830731 /nfs/dbraw/zinc/83/07/31/630830731.db2.gz ASRFGJMTNIOAOG-UHFFFAOYSA-N 0 0 292.379 2.541 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccccc1OC1CC1 ZINC000806718261 630830976 /nfs/dbraw/zinc/83/09/76/630830976.db2.gz XAMQZUXCCHEHAD-UHFFFAOYSA-N 0 0 283.327 2.863 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1N ZINC000040825841 649986638 /nfs/dbraw/zinc/98/66/38/649986638.db2.gz NTQFIMDLOONKFQ-UHFFFAOYSA-N 0 0 283.375 2.573 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(C2CC2)n1 ZINC000836779731 630880446 /nfs/dbraw/zinc/88/04/46/630880446.db2.gz RPPPMYNFGWQQCS-UHFFFAOYSA-N 0 0 298.342 2.609 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000836886191 630908487 /nfs/dbraw/zinc/90/84/87/630908487.db2.gz USEWIKULRZSYFL-OQRTXNPISA-N 0 0 299.370 2.758 20 10 CFCDRN CC1(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000837033936 630941021 /nfs/dbraw/zinc/94/10/21/630941021.db2.gz HZBHCFZOQQSHCB-HWKANZROSA-N 0 0 273.332 2.560 20 10 CFCDRN CCCCSc1nnc(SCC(=O)C(C)=O)s1 ZINC000808016716 630942794 /nfs/dbraw/zinc/94/27/94/630942794.db2.gz BMWGHFACKRJRDT-UHFFFAOYSA-N 0 0 290.435 2.681 20 10 CFCDRN CC(=O)C(=O)CSc1nc(-c2ccccc2)co1 ZINC000808037199 630944414 /nfs/dbraw/zinc/94/44/14/630944414.db2.gz VLRXEJWVPUOGKP-UHFFFAOYSA-N 0 0 261.302 2.592 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)C ZINC000808095320 630950363 /nfs/dbraw/zinc/95/03/63/630950363.db2.gz BYDSCHZFDLXKHT-UHFFFAOYSA-N 0 0 270.369 2.930 20 10 CFCDRN CCC[C@@H](C)C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC000808094178 630950366 /nfs/dbraw/zinc/95/03/66/630950366.db2.gz DUBDINKYIKORFC-LLVKDONJSA-N 0 0 270.369 2.930 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2(CO)CC2)cc1 ZINC000808126535 630952487 /nfs/dbraw/zinc/95/24/87/630952487.db2.gz RTJRVOBABCHSTA-UHFFFAOYSA-N 0 0 298.386 2.691 20 10 CFCDRN COc1cccc(O)c1CN[C@H]1CCCC1(F)F ZINC000808429988 630990768 /nfs/dbraw/zinc/99/07/68/630990768.db2.gz AOLOJEOCTXGNGW-LBPRGKRZSA-N 0 0 257.280 2.678 20 10 CFCDRN C[C@H](NC(=O)C(C)(F)F)c1ccc(N(C)C)cc1 ZINC000808466656 630998071 /nfs/dbraw/zinc/99/80/71/630998071.db2.gz JQSQIPGSQJBVMY-VIFPVBQESA-N 0 0 256.296 2.585 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1oc2ccc(Cl)cc2c1C ZINC000808492318 631002547 /nfs/dbraw/zinc/00/25/47/631002547.db2.gz YIMHHLVRVSKPJI-UHFFFAOYSA-N 0 0 294.690 2.710 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2ncnn2C)c1O ZINC000808714988 631033763 /nfs/dbraw/zinc/03/37/63/631033763.db2.gz GHPKUVQYPCFRKV-NXEZZACHSA-N 0 0 294.786 2.894 20 10 CFCDRN CC(C)(C)C1CC(C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000837480054 631043224 /nfs/dbraw/zinc/04/32/24/631043224.db2.gz DESFPRCEAPCERC-UHFFFAOYSA-N 0 0 291.391 2.829 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)CC(F)(F)F)c1O ZINC000837484672 631045370 /nfs/dbraw/zinc/04/53/70/631045370.db2.gz JAQBCKIAKRXVPT-QMMMGPOBSA-N 0 0 291.269 2.606 20 10 CFCDRN CC(C)(C)C1CC(C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000837486432 631046286 /nfs/dbraw/zinc/04/62/86/631046286.db2.gz ZMVDQIBCQPONRU-UHFFFAOYSA-N 0 0 277.364 2.786 20 10 CFCDRN COc1cc(C)cc(CN2CC(F)(F)C(F)(F)C2)c1O ZINC000840158196 631071427 /nfs/dbraw/zinc/07/14/27/631071427.db2.gz MVYNNKSVGVUGNN-UHFFFAOYSA-N 0 0 293.260 2.795 20 10 CFCDRN O=C1/C(=C\c2cnccn2)SC(=S)N1c1ccccc1 ZINC000809152620 631089382 /nfs/dbraw/zinc/08/93/82/631089382.db2.gz ISJWJYRZJQFZNJ-XYOKQWHBSA-N 0 0 299.380 2.882 20 10 CFCDRN C[C@]1(COC(=O)c2cccc(O)c2O)CC1(Cl)Cl ZINC000837648542 631096444 /nfs/dbraw/zinc/09/64/44/631096444.db2.gz SQFQBLJEHBTSEF-LLVKDONJSA-N 0 0 291.130 2.839 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840851383 631241351 /nfs/dbraw/zinc/24/13/51/631241351.db2.gz JFZLAGBQRPKFKD-UFBFGSQYSA-N 0 0 250.298 2.750 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000840860198 631244825 /nfs/dbraw/zinc/24/48/25/631244825.db2.gz PZGCZKRDJDHSLP-JFGNBEQYSA-N 0 0 295.404 2.723 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000840889179 631253225 /nfs/dbraw/zinc/25/32/25/631253225.db2.gz FIXNESQLKMHQHW-ZWNOBZJWSA-N 0 0 298.814 2.999 20 10 CFCDRN CCc1ncc(CN2CCc3cc(OC)ccc32)cn1 ZINC000840907275 631258966 /nfs/dbraw/zinc/25/89/66/631258966.db2.gz BHAPTXHVFBHUEK-UHFFFAOYSA-N 0 0 269.348 2.610 20 10 CFCDRN CCCCCNC(=O)N(C)Cc1ccccc1O ZINC000042845056 650001562 /nfs/dbraw/zinc/00/15/62/650001562.db2.gz MODXOWRUUALUNS-UHFFFAOYSA-N 0 0 250.342 2.724 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809724186 631270512 /nfs/dbraw/zinc/27/05/12/631270512.db2.gz XONWOSVAFCPSQA-JTQLQIEISA-N 0 0 275.751 2.539 20 10 CFCDRN Cc1noc([C@H](C)NCc2ccc(N(C)C)cc2C)n1 ZINC000840941792 631273202 /nfs/dbraw/zinc/27/32/02/631273202.db2.gz MBFIFBVFEFCOBN-NSHDSACASA-N 0 0 274.368 2.603 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C1CC1 ZINC000809751496 631281774 /nfs/dbraw/zinc/28/17/74/631281774.db2.gz IIKPLAQMVVLPNZ-LBPRGKRZSA-N 0 0 290.190 2.902 20 10 CFCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809767179 631284651 /nfs/dbraw/zinc/28/46/51/631284651.db2.gz GSUSJXYAKAVSBM-GFCCVEGCSA-N 0 0 271.788 2.884 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F ZINC000840965050 631286807 /nfs/dbraw/zinc/28/68/07/631286807.db2.gz ZUQFCAYPMWXQTQ-QMMMGPOBSA-N 0 0 292.257 2.979 20 10 CFCDRN OCCc1ccc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC000809780362 631287570 /nfs/dbraw/zinc/28/75/70/631287570.db2.gz VVGJEZMKXKPCRJ-UHFFFAOYSA-N 0 0 296.729 2.727 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1csnn1 ZINC000840969698 631289107 /nfs/dbraw/zinc/28/91/07/631289107.db2.gz JMCJLWDCRDXCHU-VIFPVBQESA-N 0 0 280.372 2.594 20 10 CFCDRN Oc1ccc(F)cc1CNCc1nnc(C2CC2)s1 ZINC000840973314 631291719 /nfs/dbraw/zinc/29/17/19/631291719.db2.gz IJVUZRSKKIMDJE-UHFFFAOYSA-N 0 0 279.340 2.550 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccc2)n1C ZINC000809853908 631296459 /nfs/dbraw/zinc/29/64/59/631296459.db2.gz GWEIBADTRJOUHZ-UHFFFAOYSA-N 0 0 294.358 2.824 20 10 CFCDRN CC[C@@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996732 631297833 /nfs/dbraw/zinc/29/78/33/631297833.db2.gz KAPZGSFTHLXLGR-LMVHVUTASA-N 0 0 290.407 2.951 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)CCC(=O)[O-])cc1F ZINC000840996938 631298189 /nfs/dbraw/zinc/29/81/89/631298189.db2.gz AQRNZQJBMNBYME-UHFFFAOYSA-N 0 0 282.359 2.578 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000840999039 631298448 /nfs/dbraw/zinc/29/84/48/631298448.db2.gz MSBLXDBPECBPLF-ZDUSSCGKSA-N 0 0 278.396 2.685 20 10 CFCDRN CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999900 631298932 /nfs/dbraw/zinc/29/89/32/631298932.db2.gz QLVBBIMAKZDNBU-LBPRGKRZSA-N 0 0 291.395 2.682 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033355 631314028 /nfs/dbraw/zinc/31/40/28/631314028.db2.gz RKRHPKDASBQJHK-LLVKDONJSA-N 0 0 289.206 2.931 20 10 CFCDRN COc1cc(CNc2ccc(N)cc2)cc2c1OCCO2 ZINC000841040394 631317465 /nfs/dbraw/zinc/31/74/65/631317465.db2.gz QIFWXHBGTXXHFX-UHFFFAOYSA-N 0 0 286.331 2.661 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCNC1 ZINC000841041604 631319849 /nfs/dbraw/zinc/31/98/49/631319849.db2.gz APNVQSAITGAKNI-JTQLQIEISA-N 0 0 275.179 2.541 20 10 CFCDRN CCO/C=C/C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841065494 631329542 /nfs/dbraw/zinc/32/95/42/631329542.db2.gz QKHNQTAXUKRSHX-VAWYXSNFSA-N 0 0 276.380 2.699 20 10 CFCDRN CC(C)(C)[C@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841086492 631335631 /nfs/dbraw/zinc/33/56/31/631335631.db2.gz AVWSJOLJZKXQHJ-NSHDSACASA-N 0 0 256.777 2.509 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H](CO)C1CCCC1 ZINC000810178790 631340263 /nfs/dbraw/zinc/34/02/63/631340263.db2.gz WCAOARRUIIHPMZ-GFCCVEGCSA-N 0 0 287.762 2.825 20 10 CFCDRN CC[C@H]([NH2+][C@H](CCOC)COC)c1ccc(F)cc1[O-] ZINC000810256925 631350408 /nfs/dbraw/zinc/35/04/08/631350408.db2.gz IUBJHXYEOMUCAI-OCCSQVGLSA-N 0 0 285.359 2.624 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000810259338 631351939 /nfs/dbraw/zinc/35/19/39/631351939.db2.gz HFRRDAPIOUURDS-LKFCYVNXSA-N 0 0 285.334 2.872 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCSC2)cc1F ZINC000810265880 631353081 /nfs/dbraw/zinc/35/30/81/631353081.db2.gz RJADNEGQFFUUMR-GFCCVEGCSA-N 0 0 296.411 2.651 20 10 CFCDRN COc1cccc(CNC(=O)C2(F)CCCCC2)c1O ZINC000810328713 631363277 /nfs/dbraw/zinc/36/32/77/631363277.db2.gz ZNRGRYVIAGVXHR-UHFFFAOYSA-N 0 0 281.327 2.689 20 10 CFCDRN CC(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841295800 631376177 /nfs/dbraw/zinc/37/61/77/631376177.db2.gz GQCNZEAZGWYVLT-UONOGXRCSA-N 0 0 291.395 2.982 20 10 CFCDRN Nc1ccc(NC(=O)NCc2nc(C3CC3)cs2)cc1 ZINC000841297979 631377173 /nfs/dbraw/zinc/37/71/73/631377173.db2.gz LWBFKHSILIVMGE-UHFFFAOYSA-N 0 0 288.376 2.924 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC000841297227 631377309 /nfs/dbraw/zinc/37/73/09/631377309.db2.gz NOWQACBUSCSBRR-VIFPVBQESA-N 0 0 269.295 2.826 20 10 CFCDRN CCCCc1cc(NC(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000841297243 631377330 /nfs/dbraw/zinc/37/73/30/631377330.db2.gz NSDCHMSGXDMNSJ-UHFFFAOYSA-N 0 0 273.340 2.979 20 10 CFCDRN COCC(C)(C)CCCNC(=O)Nc1ccc(N)cc1 ZINC000841298712 631377786 /nfs/dbraw/zinc/37/77/86/631377786.db2.gz DJTLEGGUPFMSMV-UHFFFAOYSA-N 0 0 279.384 2.843 20 10 CFCDRN Nc1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1 ZINC000841298806 631378132 /nfs/dbraw/zinc/37/81/32/631378132.db2.gz HIUPZORUJOSJGW-UHFFFAOYSA-N 0 0 269.295 2.968 20 10 CFCDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841298604 631378208 /nfs/dbraw/zinc/37/82/08/631378208.db2.gz BRTGATXBNKMAAH-WFASDCNBSA-N 0 0 291.395 2.842 20 10 CFCDRN CCO[C@@H](CCNC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841299930 631378371 /nfs/dbraw/zinc/37/83/71/631378371.db2.gz LXWGONGAICANNG-AWEZNQCLSA-N 0 0 279.384 2.842 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c(O)c1O ZINC000841461036 631409814 /nfs/dbraw/zinc/40/98/14/631409814.db2.gz NEKIQQQKNWRPLY-GARJFASQSA-N 0 0 263.337 2.523 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCCc2ccccc2)cc1 ZINC000841616972 631432632 /nfs/dbraw/zinc/43/26/32/631432632.db2.gz SCGCFCIZEFNPCJ-UHFFFAOYSA-N 0 0 297.402 2.743 20 10 CFCDRN CC(C)(C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841710040 631457281 /nfs/dbraw/zinc/45/72/81/631457281.db2.gz QJXIKFFWIOHMID-UHFFFAOYSA-N 0 0 263.385 2.547 20 10 CFCDRN Cc1ccc(CNC(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841717666 631458296 /nfs/dbraw/zinc/45/82/96/631458296.db2.gz MNFCKHYBUCVVAT-UHFFFAOYSA-N 0 0 297.402 2.928 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1[O-] ZINC000841744125 631463527 /nfs/dbraw/zinc/46/35/27/631463527.db2.gz FHQFTEJGFQSASS-PWSUYJOCSA-N 0 0 268.788 2.790 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758375 631467706 /nfs/dbraw/zinc/46/77/06/631467706.db2.gz SLWJYIADBHMPFF-MNOVXSKESA-N 0 0 271.788 2.961 20 10 CFCDRN C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(Cl)cc1[O-] ZINC000841757648 631468081 /nfs/dbraw/zinc/46/80/81/631468081.db2.gz OGNBKGBUXQFLIN-SNVBAGLBSA-N 0 0 269.772 2.859 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)C(=O)[O-])cc1F ZINC000841808863 631473426 /nfs/dbraw/zinc/47/34/26/631473426.db2.gz QJIMYZKZVTXDLW-RYUDHWBXSA-N 0 0 296.386 2.871 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000841895004 631490081 /nfs/dbraw/zinc/49/00/81/631490081.db2.gz LPEWWQLUPNXGMM-GFCCVEGCSA-N 0 0 297.349 2.546 20 10 CFCDRN C[C@@H](CC(C)(C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841956148 631496214 /nfs/dbraw/zinc/49/62/14/631496214.db2.gz WSIHLXYEEOEBAR-LBPRGKRZSA-N 0 0 277.412 2.935 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960047 631496500 /nfs/dbraw/zinc/49/65/00/631496500.db2.gz TVHWZAIARNGXQX-HZSPNIEDSA-N 0 0 289.423 2.887 20 10 CFCDRN CC1(C)C(NC(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000841959315 631496530 /nfs/dbraw/zinc/49/65/30/631496530.db2.gz WRUCBOULTSERMN-UHFFFAOYSA-N 0 0 275.396 2.545 20 10 CFCDRN CC[C@@H]1C[C@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841957001 631496683 /nfs/dbraw/zinc/49/66/83/631496683.db2.gz DCVLHNYXKJWJBP-SWLSCSKDSA-N 0 0 275.396 2.641 20 10 CFCDRN CC(C)C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958052 631496769 /nfs/dbraw/zinc/49/67/69/631496769.db2.gz NVKPIULRTPMIBI-OAHLLOKOSA-N 0 0 289.423 2.889 20 10 CFCDRN CCN(C(=O)NCCc1ccc(N)cc1)[C@H](C)C(C)C ZINC000841956767 631496795 /nfs/dbraw/zinc/49/67/95/631496795.db2.gz HIQQKHFRGKHJAI-CYBMUJFWSA-N 0 0 277.412 2.887 20 10 CFCDRN CC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841962767 631497346 /nfs/dbraw/zinc/49/73/46/631497346.db2.gz RLWUZRYNCGYRNJ-ZDUSSCGKSA-N 0 0 275.396 2.643 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC[C@H]2c2ccccc2)cc1 ZINC000841961201 631497363 /nfs/dbraw/zinc/49/73/63/631497363.db2.gz BNFLAQXCSSPJCS-KRWDZBQOSA-N 0 0 295.386 2.968 20 10 CFCDRN CC[C@H]1[C@@H](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841960173 631497630 /nfs/dbraw/zinc/49/76/30/631497630.db2.gz WUDDDCKAJJFIQQ-WFASDCNBSA-N 0 0 275.396 2.641 20 10 CFCDRN Cc1ncccc1COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000811156235 631525659 /nfs/dbraw/zinc/52/56/59/631525659.db2.gz JOTWTTBEZXECQO-FNORWQNLSA-N 0 0 285.299 2.558 20 10 CFCDRN OCc1ccc(NCc2cc(Cl)ccc2O)nc1 ZINC000811501720 631572418 /nfs/dbraw/zinc/57/24/18/631572418.db2.gz UNMMCENMMYUUIF-UHFFFAOYSA-N 0 0 264.712 2.545 20 10 CFCDRN CC(C)[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811516495 631575964 /nfs/dbraw/zinc/57/59/64/631575964.db2.gz XBHUTPACWXWMAJ-CYBMUJFWSA-N 0 0 275.751 2.681 20 10 CFCDRN COc1ccc(O)c(CNc2nnc(C(F)F)s2)c1 ZINC000811805678 631624735 /nfs/dbraw/zinc/62/47/35/631624735.db2.gz ZIWPLZLAJJMUAP-UHFFFAOYSA-N 0 0 287.291 2.802 20 10 CFCDRN Oc1ccc(CCNc2nc3ccccc3[nH]2)cc1O ZINC000811811033 631625999 /nfs/dbraw/zinc/62/59/99/631625999.db2.gz KIHISWZELVLRLF-UHFFFAOYSA-N 0 0 269.304 2.629 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(Cl)nn2)cc1F ZINC000811837250 631630241 /nfs/dbraw/zinc/63/02/41/631630241.db2.gz MZNNGCKWCMUWQS-UHFFFAOYSA-N 0 0 280.734 2.947 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000104815034 631662950 /nfs/dbraw/zinc/66/29/50/631662950.db2.gz JUYZOJRKPASURW-COPLHBTASA-N 0 0 292.379 2.950 20 10 CFCDRN COc1cccc(CNC(=O)/C=C/c2cccs2)c1O ZINC000155417443 650020693 /nfs/dbraw/zinc/02/06/93/650020693.db2.gz NVCKNQYABKRSSV-BQYQJAHWSA-N 0 0 289.356 2.792 20 10 CFCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@@H]1C1CC1 ZINC000812270042 631683879 /nfs/dbraw/zinc/68/38/79/631683879.db2.gz ZJIQWAZXRQDKBL-LLVKDONJSA-N 0 0 251.351 2.714 20 10 CFCDRN COCC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000812370835 631697000 /nfs/dbraw/zinc/69/70/00/631697000.db2.gz SXCSBAAZRFIJPT-UHFFFAOYSA-N 0 0 283.393 2.780 20 10 CFCDRN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cccc(O)c1O ZINC000812419710 631714285 /nfs/dbraw/zinc/71/42/85/631714285.db2.gz OYLDMCJWHHIMKU-NWDGAFQWSA-N 0 0 293.363 2.928 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCCCF)c1[O-] ZINC000812773691 631770177 /nfs/dbraw/zinc/77/01/77/631770177.db2.gz MSZVZKFGWLSXCU-UHFFFAOYSA-N 0 0 276.695 2.793 20 10 CFCDRN CCCC(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878462 631772157 /nfs/dbraw/zinc/77/21/57/631772157.db2.gz BVDJYHMHEYCAFP-ZDUSSCGKSA-N 0 0 277.364 2.865 20 10 CFCDRN O=C(NCCCCF)NCCCSc1nccs1 ZINC000813098716 631836930 /nfs/dbraw/zinc/83/69/30/631836930.db2.gz KOOKMLVNIOCMKT-UHFFFAOYSA-N 0 0 291.417 2.674 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843122901 631843920 /nfs/dbraw/zinc/84/39/20/631843920.db2.gz FVPOPAKDOXTNLU-HNNXBMFYSA-N 0 0 298.789 2.760 20 10 CFCDRN CN(Cc1ccccc1O)c1ncc2c(n1)CCCC2 ZINC000840281219 631865704 /nfs/dbraw/zinc/86/57/04/631865704.db2.gz VTZRTBVPOYGVIS-UHFFFAOYSA-N 0 0 269.348 2.697 20 10 CFCDRN C[C@H]1CC[C@H](CCc2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159011 631870324 /nfs/dbraw/zinc/87/03/24/631870324.db2.gz KLXMEIBRZNOIOQ-SMDDNHRTSA-N 0 0 287.363 2.743 20 10 CFCDRN C[C@H](OCC1CC1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159231 631870533 /nfs/dbraw/zinc/87/05/33/631870533.db2.gz NKEUXYNXWBASSD-JTQLQIEISA-N 0 0 273.336 2.730 20 10 CFCDRN CC(C)Cn1cc(-c2nc(Cc3ccc(N)cc3)no2)cn1 ZINC000843158640 631870693 /nfs/dbraw/zinc/87/06/93/631870693.db2.gz FGDCWYWZFJQCKG-UHFFFAOYSA-N 0 0 297.362 2.762 20 10 CFCDRN Nc1ccc(Cc2noc([C@H]3CC34CCOCC4)n2)cc1 ZINC000843159724 631870968 /nfs/dbraw/zinc/87/09/68/631870968.db2.gz AHUCBWVOSJLGFO-CYBMUJFWSA-N 0 0 285.347 2.527 20 10 CFCDRN CC[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843159488 631871304 /nfs/dbraw/zinc/87/13/04/631871304.db2.gz RBEJLRIYOPSKKQ-JSGCOSHPSA-N 0 0 287.363 2.915 20 10 CFCDRN CCO[C@H](Cc1nc(Cc2ccc(N)cc2)no1)C(C)C ZINC000843160241 631871312 /nfs/dbraw/zinc/87/13/12/631871312.db2.gz WVLAZRJWFPCNNM-CQSZACIVSA-N 0 0 289.379 2.846 20 10 CFCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cnccn1 ZINC000813334505 631905858 /nfs/dbraw/zinc/90/58/58/631905858.db2.gz NAOPWDCIDYCRFV-UHFFFAOYSA-N 0 0 295.342 2.978 20 10 CFCDRN CCOc1cncc(NCc2cc(C)c(C)cc2O)n1 ZINC000843302975 631922752 /nfs/dbraw/zinc/92/27/52/631922752.db2.gz CQULRTOELZNLFI-UHFFFAOYSA-N 0 0 273.336 2.810 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1(C(F)F)CCCC1 ZINC000813489242 631926339 /nfs/dbraw/zinc/92/63/39/631926339.db2.gz TUHZWHLQXAICDO-UHFFFAOYSA-N 0 0 299.317 2.582 20 10 CFCDRN CC[C@H]1CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000813646080 631946150 /nfs/dbraw/zinc/94/61/50/631946150.db2.gz FYDPAVLQWPERQX-AWEZNQCLSA-N 0 0 275.396 2.755 20 10 CFCDRN CCc1cccc2c1N(C(=O)Cc1ccc(N)cc1)CC2 ZINC000843412913 631946334 /nfs/dbraw/zinc/94/63/34/631946334.db2.gz FXGJFDXXJDLJAH-UHFFFAOYSA-N 0 0 280.371 2.963 20 10 CFCDRN CC[C@H](C)C[C@@H](NCc1cccc(C)c1O)C(=O)OC ZINC000843414743 631947372 /nfs/dbraw/zinc/94/73/72/631947372.db2.gz CAPNWZMGZWJWPA-SMDDNHRTSA-N 0 0 279.380 2.768 20 10 CFCDRN COCC(C)(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000813790792 631960278 /nfs/dbraw/zinc/96/02/78/631960278.db2.gz YIZLLYUBHNGENE-UHFFFAOYSA-N 0 0 275.751 2.947 20 10 CFCDRN CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000814376435 632057475 /nfs/dbraw/zinc/05/74/75/632057475.db2.gz BCZLJYAYEJFNBB-GDBMZVCRSA-N 0 0 290.407 2.574 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843938773 632079119 /nfs/dbraw/zinc/07/91/19/632079119.db2.gz JJHSYMDTKPTIHP-KQYOJSHESA-N 0 0 287.359 2.902 20 10 CFCDRN CCOc1ccc(N(C)Cc2snnc2C)cc1 ZINC000844299206 632161179 /nfs/dbraw/zinc/16/11/79/632161179.db2.gz QXXNYKBOVCASPN-UHFFFAOYSA-N 0 0 263.366 2.882 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)/C=C(/C)COC)cc1 ZINC000844339277 632173490 /nfs/dbraw/zinc/17/34/90/632173490.db2.gz IQMJNPUKBKBYLZ-KAMYIIQDSA-N 0 0 290.407 2.742 20 10 CFCDRN CCOc1nnc(CN(C)c2ccc(OC)cc2)s1 ZINC000844352861 632176440 /nfs/dbraw/zinc/17/64/40/632176440.db2.gz ALVZKNADVHQHRA-UHFFFAOYSA-N 0 0 279.365 2.582 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C(C)C)nn2)cc1 ZINC000844354374 632177524 /nfs/dbraw/zinc/17/75/24/632177524.db2.gz CAOKGDYHYYQOEB-UHFFFAOYSA-N 0 0 260.341 2.504 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CCCCO2)cc1 ZINC000844353190 632177706 /nfs/dbraw/zinc/17/77/06/632177706.db2.gz QLGZVUGHONEEQJ-OAHLLOKOSA-N 0 0 265.353 2.675 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000844355189 632177943 /nfs/dbraw/zinc/17/79/43/632177943.db2.gz MNFDEAKIDGMUHQ-UHFFFAOYSA-N 0 0 260.341 2.573 20 10 CFCDRN Cc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815062211 632194335 /nfs/dbraw/zinc/19/43/35/632194335.db2.gz PPLNAWJOFBNOSY-KGLIPLIRSA-N 0 0 262.397 2.670 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000815159623 632220078 /nfs/dbraw/zinc/22/00/78/632220078.db2.gz WPFDSWHJZJFDDO-UHFFFAOYSA-N 0 0 285.303 2.796 20 10 CFCDRN CCOc1ccc(CNc2cc(COC)ccn2)c(O)c1 ZINC000844708477 632287364 /nfs/dbraw/zinc/28/73/64/632287364.db2.gz RDXUZEAUEXXUJS-UHFFFAOYSA-N 0 0 288.347 2.944 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1c(C)cc(C)cc1O ZINC000815619136 632299974 /nfs/dbraw/zinc/29/99/74/632299974.db2.gz DMVRLACGRZZANY-LLVKDONJSA-N 0 0 275.352 2.924 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000815651998 632305949 /nfs/dbraw/zinc/30/59/49/632305949.db2.gz LJYCMTKXMFOHBJ-UFBFGSQYSA-N 0 0 273.323 2.871 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccccc2)cc1 ZINC000844853453 632322803 /nfs/dbraw/zinc/32/28/03/632322803.db2.gz XZTAEVWMCKUQOU-UHFFFAOYSA-N 0 0 298.386 2.904 20 10 CFCDRN C/C=C(/C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844855576 632323975 /nfs/dbraw/zinc/32/39/75/632323975.db2.gz YYEKEBHRXUYELB-MLPAPPSSSA-N 0 0 276.380 2.556 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1O ZINC000105649510 632325093 /nfs/dbraw/zinc/32/50/93/632325093.db2.gz UPWRGSRGWXLDOR-CABCVRRESA-N 0 0 297.354 2.821 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000844939008 632342479 /nfs/dbraw/zinc/34/24/79/632342479.db2.gz YBBBRXAVCGCWRA-AWEZNQCLSA-N 0 0 296.386 2.967 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC=CCC1 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DWGUZAWKFNRWLL-UHFFFAOYSA-N 0 0 290.388 2.804 20 10 CFCDRN C[C@@H]([NH2+]CCc1cscn1)c1ccc(F)cc1[O-] ZINC000108942282 633744942 /nfs/dbraw/zinc/74/49/42/633744942.db2.gz VIOGXXMOAWUKBV-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN CC(C)(C)n1nnnc1CSc1ncc(Cl)s1 ZINC000850000247 633786449 /nfs/dbraw/zinc/78/64/49/633786449.db2.gz NUOMELNGSNHSOY-UHFFFAOYSA-N 0 0 289.817 2.830 20 10 CFCDRN Cn1cc(CCSc2ncc(Cl)s2)cn1 ZINC000850000475 633786995 /nfs/dbraw/zinc/78/69/95/633786995.db2.gz WIAZFUNXNOYOGD-UHFFFAOYSA-N 0 0 259.787 2.865 20 10 CFCDRN COC(=O)[C@H](Sc1ncc(Cl)s1)C1CC1 ZINC000850000562 633787158 /nfs/dbraw/zinc/78/71/58/633787158.db2.gz ZKLPTRWDUMBSBO-SSDOTTSWSA-N 0 0 263.771 2.840 20 10 CFCDRN CN(C)C(=O)CCCSc1ncc(Cl)s1 ZINC000850000427 633787177 /nfs/dbraw/zinc/78/71/77/633787177.db2.gz UUJQOXIFLRVZRU-UHFFFAOYSA-N 0 0 264.803 2.757 20 10 CFCDRN CCOC(=O)CCSc1ncc(Cl)s1 ZINC000850000041 633787193 /nfs/dbraw/zinc/78/71/93/633787193.db2.gz HLVJYRDSZXEFRK-UHFFFAOYSA-N 0 0 251.760 2.842 20 10 CFCDRN CS(=O)(=O)CCCCSc1ncc(Cl)s1 ZINC000850000533 633787197 /nfs/dbraw/zinc/78/71/97/633787197.db2.gz YGXMGTARCORVMX-UHFFFAOYSA-N 0 0 285.843 2.713 20 10 CFCDRN CO[C@H](CSc1ncc(Cl)s1)[C@H]1CCOC1 ZINC000850002063 633788061 /nfs/dbraw/zinc/78/80/61/633788061.db2.gz RAZBKMPGMSNJGS-JGVFFNPUSA-N 0 0 279.814 2.940 20 10 CFCDRN CC(C)(F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850374335 633963393 /nfs/dbraw/zinc/96/33/93/633963393.db2.gz JDMLUAZHZLAMIS-UHFFFAOYSA-N 0 0 256.277 2.528 20 10 CFCDRN CC1(C)[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000850394085 633974363 /nfs/dbraw/zinc/97/43/63/633974363.db2.gz KOKXSFARRXAUCD-LLVKDONJSA-N 0 0 286.278 2.681 20 10 CFCDRN CON(C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850478739 634009844 /nfs/dbraw/zinc/00/98/44/634009844.db2.gz FRDBPFSZPZNPHR-QMMMGPOBSA-N 0 0 293.194 2.843 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850481735 634012538 /nfs/dbraw/zinc/01/25/38/634012538.db2.gz JJSLKMWESQZFMS-WPRPVWTQSA-N 0 0 271.307 2.889 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C=CCC2)c1 ZINC000850510051 634024246 /nfs/dbraw/zinc/02/42/46/634024246.db2.gz RAUZPKGVZBQADR-CMPLNLGQSA-N 0 0 261.321 2.548 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(F)cc1[O-] ZINC000850513054 634024562 /nfs/dbraw/zinc/02/45/62/634024562.db2.gz BYUIWLOGYRROAR-ZWNOBZJWSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(Cl)cc1[O-] ZINC000850516274 634027245 /nfs/dbraw/zinc/02/72/45/634027245.db2.gz UEYJITURIYUDAO-NXEZZACHSA-N 0 0 269.772 2.857 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1 ZINC000850537316 634042328 /nfs/dbraw/zinc/04/23/28/634042328.db2.gz SVNJIQIWWARGSN-YMTOWFKASA-N 0 0 299.317 2.875 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545274 634046625 /nfs/dbraw/zinc/04/66/25/634046625.db2.gz NZBDZWNSADTAHU-SWLSCSKDSA-N 0 0 281.371 2.981 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(F)cc(F)c1[O-] ZINC000850546232 634047643 /nfs/dbraw/zinc/04/76/43/634047643.db2.gz XVBZUULNCPWGTA-ONGXEEELSA-N 0 0 285.334 2.730 20 10 CFCDRN CC[C@@H](NCc1ncccn1)c1ccc(C)cc1O ZINC000850551126 634049685 /nfs/dbraw/zinc/04/96/85/634049685.db2.gz FEZJNTPYBNDTCH-CYBMUJFWSA-N 0 0 257.337 2.732 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2ncccn2)cc1 ZINC000850553440 634051755 /nfs/dbraw/zinc/05/17/55/634051755.db2.gz ZCXHEHNJGGAOMK-CYBMUJFWSA-N 0 0 270.380 2.784 20 10 CFCDRN COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000850711916 634064611 /nfs/dbraw/zinc/06/46/11/634064611.db2.gz SXZDYGDXSNFXIQ-DLBZAZTESA-N 0 0 296.370 2.697 20 10 CFCDRN CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@H]1c1cccnc1 ZINC000852872044 634852362 /nfs/dbraw/zinc/85/23/62/634852362.db2.gz ADGOARLKPYAGMU-KRWDZBQOSA-N 0 0 295.386 2.816 20 10 CFCDRN CCOc1cc(N(C)Cc2ccccc2O)nc(C)n1 ZINC000853461967 635006484 /nfs/dbraw/zinc/00/64/84/635006484.db2.gz FVPAMFSHYWNAAA-UHFFFAOYSA-N 0 0 273.336 2.526 20 10 CFCDRN C[C@H](Nc1cnc(F)cn1)c1ccc(N(C)C)cc1 ZINC000853484736 635013481 /nfs/dbraw/zinc/01/34/81/635013481.db2.gz VPIXCCUERMAAPZ-JTQLQIEISA-N 0 0 260.316 2.855 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)CC2CCC2)cc1 ZINC000111424951 635039149 /nfs/dbraw/zinc/03/91/49/635039149.db2.gz YHFLIVHDFYFJBT-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CO[C@@H](COc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 ZINC000853675171 635070938 /nfs/dbraw/zinc/07/09/38/635070938.db2.gz OPVXPDJFOSFKRZ-PBHICJAKSA-N 0 0 291.391 2.717 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3nnc(C)s3)C2)cc1 ZINC000853759086 635096818 /nfs/dbraw/zinc/09/68/18/635096818.db2.gz OUHGNNGHYUGJRX-LLVKDONJSA-N 0 0 290.392 2.546 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ccccn3)C2)cc1 ZINC000853759761 635098246 /nfs/dbraw/zinc/09/82/46/635098246.db2.gz ZLPYIGVYFAOYHK-CYBMUJFWSA-N 0 0 269.348 2.781 20 10 CFCDRN O=C(NCCCSc1nccs1)N1CC[C@H]2C[C@H]2C1 ZINC000853858796 635135093 /nfs/dbraw/zinc/13/50/93/635135093.db2.gz PJEOKPHWTSGKTB-QWRGUYRKSA-N 0 0 297.449 2.677 20 10 CFCDRN CO[C@@H](c1nc(Cc2ccc(N)cc2)no1)C1CCC1 ZINC000854133516 635221800 /nfs/dbraw/zinc/22/18/00/635221800.db2.gz DITLDHWMRJINLE-CQSZACIVSA-N 0 0 273.336 2.730 20 10 CFCDRN Cn1ccc(CNCc2ccc(N3CCCCC3)cc2)n1 ZINC000112344395 635336064 /nfs/dbraw/zinc/33/60/64/635336064.db2.gz PNASHBLPMMNONW-UHFFFAOYSA-N 0 0 284.407 2.700 20 10 CFCDRN CSC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000855023076 635444017 /nfs/dbraw/zinc/44/40/17/635444017.db2.gz QKUXMJDXCSHNMQ-UHFFFAOYSA-N 0 0 273.785 2.803 20 10 CFCDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)C1(CO)CC=CC1 ZINC000855049425 635450724 /nfs/dbraw/zinc/45/07/24/635450724.db2.gz WDYFVBTVJFCPPH-ZDUSSCGKSA-N 0 0 295.404 2.537 20 10 CFCDRN CC[C@@H](C)N(CC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855146649 635468546 /nfs/dbraw/zinc/46/85/46/635468546.db2.gz YQKFPVGDHVIWPE-GXMKHXEJSA-N 0 0 263.337 2.758 20 10 CFCDRN CCC(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855233010 635489981 /nfs/dbraw/zinc/48/99/81/635489981.db2.gz VNQRRFIDTQGASW-AWEZNQCLSA-N 0 0 290.407 2.826 20 10 CFCDRN CC[C@@H](C)CCNC(=O)c1ccc(C)c(O)c1O ZINC000855387299 635526893 /nfs/dbraw/zinc/52/68/93/635526893.db2.gz DGQNELHNQXVPBE-SECBINFHSA-N 0 0 251.326 2.572 20 10 CFCDRN CC[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000855880701 635680942 /nfs/dbraw/zinc/68/09/42/635680942.db2.gz RDIXYWREQZGQBS-MEMKZHQFSA-N 0 0 275.348 2.806 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000855946959 635695296 /nfs/dbraw/zinc/69/52/96/635695296.db2.gz YGEPUHZVJRIOPI-ZDUSSCGKSA-N 0 0 295.404 2.875 20 10 CFCDRN C[C@H](NC(=O)c1cccc(O)c1O)C1CCC(F)CC1 ZINC000856079899 635720412 /nfs/dbraw/zinc/72/04/12/635720412.db2.gz CGZVTUKHQPESQL-WHXUTIOJSA-N 0 0 281.327 2.744 20 10 CFCDRN CC(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000856122113 635731411 /nfs/dbraw/zinc/73/14/11/635731411.db2.gz CLPZVVAMCJIBIN-LWAXHKBTSA-N 0 0 275.348 2.662 20 10 CFCDRN CCS[C@@H](C(=O)NCc1cc(OC)ccc1O)C(C)C ZINC000114544429 635839036 /nfs/dbraw/zinc/83/90/36/635839036.db2.gz GSWHFBYWPFMRCK-CQSZACIVSA-N 0 0 297.420 2.795 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC2CCCCCC2)c1 ZINC000114582162 635848612 /nfs/dbraw/zinc/84/86/12/635848612.db2.gz RVMJRQVQPYDURN-UHFFFAOYSA-N 0 0 292.379 2.923 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccs2)c1 ZINC000157859099 650219865 /nfs/dbraw/zinc/21/98/65/650219865.db2.gz NNUHWNWAUVTTJH-SNVBAGLBSA-N 0 0 291.372 2.882 20 10 CFCDRN CC1CC(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000856907778 635880630 /nfs/dbraw/zinc/88/06/30/635880630.db2.gz AKWNPAMJLYWJNX-UHFFFAOYSA-N 0 0 289.423 2.940 20 10 CFCDRN COCC1(C(=O)NCCc2ccc(N)cc2)CCCCC1 ZINC000856998115 635903075 /nfs/dbraw/zinc/90/30/75/635903075.db2.gz KDIHIBGQIDEXKX-UHFFFAOYSA-N 0 0 290.407 2.524 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](C2CCC2)C1 ZINC000857332848 635967134 /nfs/dbraw/zinc/96/71/34/635967134.db2.gz IVXZHQIHZBLGGV-NSHDSACASA-N 0 0 293.338 2.889 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000857547477 635982965 /nfs/dbraw/zinc/98/29/65/635982965.db2.gz GJWLPRVLKDIDQB-UHFFFAOYSA-N 0 0 280.711 2.580 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccn1 ZINC000115640342 636026882 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/nfs/dbraw/zinc/24/24/58/636242458.db2.gz IWESQDFZDRSRKG-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN CC[C@H](NCc1cnn(CC)n1)c1ccc(N(C)C)cc1 ZINC000858443317 636242584 /nfs/dbraw/zinc/24/25/84/636242584.db2.gz JGXPOZPOUGIMDK-INIZCTEOSA-N 0 0 287.411 2.605 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858445492 636243112 /nfs/dbraw/zinc/24/31/12/636243112.db2.gz LQYZHSKNSOLAJB-NEPJUHHUSA-N 0 0 294.351 2.768 20 10 CFCDRN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858471475 636258456 /nfs/dbraw/zinc/25/84/56/636258456.db2.gz TXHHVLDFYKRFJN-JOYOIKCWSA-N 0 0 295.766 2.958 20 10 CFCDRN C[C@@H](Nc1cnn(CCF)c1)c1ccc(F)cc1O ZINC000858491951 636271915 /nfs/dbraw/zinc/27/19/15/636271915.db2.gz QTJRNLSCYULENE-SECBINFHSA-N 0 0 267.279 2.870 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858502911 636273925 /nfs/dbraw/zinc/27/39/25/636273925.db2.gz RLYKXSKLPSHDAD-FZZIBODNSA-N 0 0 280.324 2.519 20 10 CFCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000858505488 636276020 /nfs/dbraw/zinc/27/60/20/636276020.db2.gz LCZUUMDVWSNIAY-GWCFXTLKSA-N 0 0 293.338 2.834 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000858538502 636285956 /nfs/dbraw/zinc/28/59/56/636285956.db2.gz WPAUZKXDLDAOFB-XBFCOCLRSA-N 0 0 274.364 2.688 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159008710 650244534 /nfs/dbraw/zinc/24/45/34/650244534.db2.gz WCYOIEPVIDOZJI-UHFFFAOYSA-N 0 0 285.343 2.655 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)CC(F)F)c1ccc(F)cc1[O-] ZINC000858596816 636304288 /nfs/dbraw/zinc/30/42/88/636304288.db2.gz OYQIYIRTOXCRHQ-LBPRGKRZSA-N 0 0 290.329 2.769 20 10 CFCDRN CCCOCCOC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000859114240 636460572 /nfs/dbraw/zinc/46/05/72/636460572.db2.gz BUFDGRWAYLJYNO-ZDUSSCGKSA-N 0 0 294.395 2.966 20 10 CFCDRN COc1ccc(N(C)Cc2cc(Cl)n(C)n2)cc1F ZINC000859164396 636482464 /nfs/dbraw/zinc/48/24/64/636482464.db2.gz YAHBAARLMGEEDP-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN COCCN(C[C@H]1C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000859195941 636498539 /nfs/dbraw/zinc/49/85/39/636498539.db2.gz FSOGLFLQNFAZRN-CHWSQXEVSA-N 0 0 279.380 2.813 20 10 CFCDRN CN(Cc1noc(C2CCC2)n1)c1ccc2c(c1)OCO2 ZINC000859207413 636503541 /nfs/dbraw/zinc/50/35/41/636503541.db2.gz XZNBMEYWDYONFC-UHFFFAOYSA-N 0 0 287.319 2.702 20 10 CFCDRN CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000048644785 650274412 /nfs/dbraw/zinc/27/44/12/650274412.db2.gz CJPFTVNJXNUWER-UHFFFAOYSA-N 0 0 263.385 2.694 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)c(C)c1 ZINC000048657982 650274896 /nfs/dbraw/zinc/27/48/96/650274896.db2.gz BWJKYNUILWWZQL-SOFGYWHQSA-N 0 0 269.348 2.713 20 10 CFCDRN CCN(C)c1ccc(CN2CC[NH+](CCCF)CC2)cc1 ZINC000860008152 636759704 /nfs/dbraw/zinc/75/97/04/636759704.db2.gz PAPCORHKRDBNJT-UHFFFAOYSA-N 0 0 293.430 2.620 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC000081305654 636776241 /nfs/dbraw/zinc/77/62/41/636776241.db2.gz FSKVDVNAPIHBDA-UHFFFAOYSA-N 0 0 299.374 2.604 20 10 CFCDRN CC(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159897 650317008 /nfs/dbraw/zinc/31/70/08/650317008.db2.gz WFIORNDSJXVNNI-UHFFFAOYSA-N 0 0 261.365 2.933 20 10 CFCDRN C[C@H](c1ccco1)N(C)C(=O)c1cccc(O)c1O ZINC000188157703 650317142 /nfs/dbraw/zinc/31/71/42/650317142.db2.gz NQIIYZCXDFIEFL-SECBINFHSA-N 0 0 261.277 2.524 20 10 CFCDRN C[C@@H](c1ccco1)N(C)C(=O)c1cccc(O)c1O ZINC000188157678 650317366 /nfs/dbraw/zinc/31/73/66/650317366.db2.gz NQIIYZCXDFIEFL-VIFPVBQESA-N 0 0 261.277 2.524 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000861641865 637222561 /nfs/dbraw/zinc/22/25/61/637222561.db2.gz XUJBFXOIJWZKAR-CQSZACIVSA-N 0 0 287.407 2.691 20 10 CFCDRN O=C(NCc1cc(Br)ccc1O)C12CC(C1)C2 ZINC000861687185 637227283 /nfs/dbraw/zinc/22/72/83/637227283.db2.gz KEJWEWRVYNRTRK-UHFFFAOYSA-N 0 0 296.164 2.571 20 10 CFCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1N(C)C ZINC000188170428 650318022 /nfs/dbraw/zinc/31/80/22/650318022.db2.gz CMLPXOHAUJGITD-UHFFFAOYSA-N 0 0 286.331 2.725 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CC1(F)F ZINC000862024814 637266275 /nfs/dbraw/zinc/26/62/75/637266275.db2.gz HLDURPCNYLCSGE-AWEZNQCLSA-N 0 0 292.285 2.602 20 10 CFCDRN CN(C)c1cc(F)c(CN(C)C[C@H]2CCCO2)cc1F ZINC000862216430 637288072 /nfs/dbraw/zinc/28/80/72/637288072.db2.gz MOMMMBYVJQJCDB-GFCCVEGCSA-N 0 0 284.350 2.642 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000862213397 637288237 /nfs/dbraw/zinc/28/82/37/637288237.db2.gz XRVVMXNYKSQMQT-PHIMTYICSA-N 0 0 284.350 2.640 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC000862238835 637295578 /nfs/dbraw/zinc/29/55/78/637295578.db2.gz LTNGIQXVRSBYPC-LLVKDONJSA-N 0 0 284.350 2.642 20 10 CFCDRN C[C@@H]1OCCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC000862245122 637297074 /nfs/dbraw/zinc/29/70/74/637297074.db2.gz JMRBFHDDDYVHFE-QWRGUYRKSA-N 0 0 284.350 2.640 20 10 CFCDRN CCc1cccc(CNc2cnc(OC)c(OC)c2)c1O ZINC000862474472 637396219 /nfs/dbraw/zinc/39/62/19/637396219.db2.gz LZECUFVNMPZTIG-UHFFFAOYSA-N 0 0 288.347 2.979 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cnc3n2CCCCC3)c1 ZINC000862753788 637478403 /nfs/dbraw/zinc/47/84/03/637478403.db2.gz HOOUTAJXWYOABQ-UHFFFAOYSA-N 0 0 299.374 2.554 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3ccccc3O2)c1 ZINC000862754744 637479468 /nfs/dbraw/zinc/47/94/68/637479468.db2.gz IWWHYCYDXZSRAL-KRWDZBQOSA-N 0 0 297.354 2.711 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)/C=C/C2(C)CCOCC2)c1 ZINC000862755503 637479847 /nfs/dbraw/zinc/47/98/47/637479847.db2.gz UNSFYSHXZHFBMU-AATRIKPKSA-N 0 0 289.375 2.690 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000862754365 637479875 /nfs/dbraw/zinc/47/98/75/637479875.db2.gz BPHZTFSFWXMVBJ-DYEKYZERSA-N 0 0 259.349 2.753 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)c2cccnc2)c1 ZINC000862757764 637480474 /nfs/dbraw/zinc/48/04/74/637480474.db2.gz DMFNAPSZDDNUHP-GFCCVEGCSA-N 0 0 270.332 2.516 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C(C2CC2)C2CC2)c1 ZINC000862757717 637480991 /nfs/dbraw/zinc/48/09/91/637480991.db2.gz CTFCERTWRQBIIN-UHFFFAOYSA-N 0 0 259.349 2.753 20 10 CFCDRN Cc1csc([C@H](C)C(=O)NCc2cc(C)ccc2O)n1 ZINC000862756175 637481013 /nfs/dbraw/zinc/48/10/13/637481013.db2.gz SAYQSFWUPSBVTL-LLVKDONJSA-N 0 0 290.388 2.885 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000862756313 637481411 /nfs/dbraw/zinc/48/14/11/637481411.db2.gz VSGRYBILHXITJL-JTQLQIEISA-N 0 0 269.291 2.752 20 10 CFCDRN CCc1cnccc1C(=O)NCc1cc(C)ccc1O ZINC000862757969 637482371 /nfs/dbraw/zinc/48/23/71/637482371.db2.gz KGHOHDOJNCHPQW-UHFFFAOYSA-N 0 0 270.332 2.588 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CC[C@H]2CC[C@@H](C)O2)c1 ZINC000862759335 637482605 /nfs/dbraw/zinc/48/26/05/637482605.db2.gz BRFZNHJEAXROCQ-TZMCWYRMSA-N 0 0 277.364 2.665 20 10 CFCDRN CCOCCC1(C(=O)NCc2cc(C)ccc2O)CCC1 ZINC000862757998 637482648 /nfs/dbraw/zinc/48/26/48/637482648.db2.gz LHCKBPRVXFYPDI-UHFFFAOYSA-N 0 0 291.391 2.914 20 10 CFCDRN CCCCSCC(=O)NCc1cc(C)ccc1O ZINC000862760419 637483254 /nfs/dbraw/zinc/48/32/54/637483254.db2.gz SINACXMIDUHMPQ-UHFFFAOYSA-N 0 0 267.394 2.850 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)C(F)(F)F)c1 ZINC000862760239 637483298 /nfs/dbraw/zinc/48/32/98/637483298.db2.gz OKQKWEQDXQDDBB-MRVPVSSYSA-N 0 0 261.243 2.515 20 10 CFCDRN Cc1cc(C(=O)NCc2cc(C)ccc2O)c(C)n1C ZINC000862761601 637483395 /nfs/dbraw/zinc/48/33/95/637483395.db2.gz UOUQBWCMMSZFRJ-UHFFFAOYSA-N 0 0 272.348 2.586 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(O)cc1F ZINC000119492996 637680744 /nfs/dbraw/zinc/68/07/44/637680744.db2.gz CZLPKNCQTCMGGF-QHHAFSJGSA-N 0 0 289.262 2.594 20 10 CFCDRN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC(C)(C)O1 ZINC000119515778 637683408 /nfs/dbraw/zinc/68/34/08/637683408.db2.gz LYTFUYWUVGIFLU-LBPRGKRZSA-N 0 0 280.387 2.891 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000863937208 637817905 /nfs/dbraw/zinc/81/79/05/637817905.db2.gz NQZFUSPLHOTIFE-CHWSQXEVSA-N 0 0 271.316 2.714 20 10 CFCDRN Cc1cccc(CNc2ccccc2O[C@@H]2CC(=O)N2)c1O ZINC000864039839 637839429 /nfs/dbraw/zinc/83/94/29/637839429.db2.gz DJULSRXACYMONE-MRXNPFEDSA-N 0 0 298.342 2.538 20 10 CFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000189426752 650380825 /nfs/dbraw/zinc/38/08/25/650380825.db2.gz OVBATEYVURWQFR-UHFFFAOYSA-N 0 0 295.335 2.895 20 10 CFCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1c(C)noc1C ZINC000189536534 650387526 /nfs/dbraw/zinc/38/75/26/650387526.db2.gz JGIPOCYJESOGHQ-LLVKDONJSA-N 0 0 290.319 2.584 20 10 CFCDRN Nc1ccc(OCc2cn(C[C@@H]3CC[C@@H]4C[C@@H]4C3)nn2)cc1 ZINC000864648673 638058023 /nfs/dbraw/zinc/05/80/23/638058023.db2.gz ZLSIVWDHRUIAED-MCIONIFRSA-N 0 0 298.390 2.876 20 10 CFCDRN Cc1nocc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863231 638110702 /nfs/dbraw/zinc/11/07/02/638110702.db2.gz SOMKEIQINVLOIY-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN COC/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000864949003 638134027 /nfs/dbraw/zinc/13/40/27/638134027.db2.gz DNCBCCIWWJRMQS-SREVYHEPSA-N 0 0 290.407 2.692 20 10 CFCDRN Cc1ccn(C)c1C(=O)NCCCSc1nccs1 ZINC000189792554 650395766 /nfs/dbraw/zinc/39/57/66/650395766.db2.gz CZHKVFKSWDPUOO-UHFFFAOYSA-N 0 0 295.433 2.702 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865051846 638175371 /nfs/dbraw/zinc/17/53/71/638175371.db2.gz WNKMMVMQAZRZOM-VZZFWQQMSA-N 0 0 290.382 2.800 20 10 CFCDRN CCCCc1cc(NCCc2ccc(O)c(O)c2)ncn1 ZINC000865585768 638440523 /nfs/dbraw/zinc/44/05/23/638440523.db2.gz NMGXSBKTLKVUTM-UHFFFAOYSA-N 0 0 287.363 2.885 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2CSC2)cc1F ZINC000865636312 638479029 /nfs/dbraw/zinc/47/90/29/638479029.db2.gz LZDVGXXKRHYDFU-UHFFFAOYSA-N 0 0 296.411 2.651 20 10 CFCDRN CCOc1ccc(O)c(CNc2cncc(OC)c2)c1 ZINC000865658066 638493847 /nfs/dbraw/zinc/49/38/47/638493847.db2.gz GSNQLOQOKGZODD-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@H](C)O1 ZINC000865689451 638511354 /nfs/dbraw/zinc/51/13/54/638511354.db2.gz HJDPMWUKQNAECO-VHSKPIJISA-N 0 0 273.735 2.840 20 10 CFCDRN CCOc1ccc(O)c(CNc2cnn3c2CCCC3)c1 ZINC000865709792 638527980 /nfs/dbraw/zinc/52/79/80/638527980.db2.gz UHJVAQHCSFWXMN-UHFFFAOYSA-N 0 0 287.363 2.936 20 10 CFCDRN Oc1cccc2c1CN(c1nccnc1OC1CCC1)C2 ZINC000866117803 638745262 /nfs/dbraw/zinc/74/52/62/638745262.db2.gz RGHOZLDVOAUUCJ-UHFFFAOYSA-N 0 0 283.331 2.634 20 10 CFCDRN COc1cc(C)nc(N[C@@H](C)c2ccccc2O)n1 ZINC000866238886 638777365 /nfs/dbraw/zinc/77/73/65/638777365.db2.gz QUSRMRMHJCWTMU-JTQLQIEISA-N 0 0 259.309 2.672 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000866443270 638822087 /nfs/dbraw/zinc/82/20/87/638822087.db2.gz IWLXGGQKLYSZLV-SKNMHBRKSA-N 0 0 271.307 2.887 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](SC)C2)c1 ZINC000866488530 638829620 /nfs/dbraw/zinc/82/96/20/638829620.db2.gz QBBYTLSWARBEJK-DLOVCJGASA-N 0 0 295.404 2.723 20 10 CFCDRN CCC(C)(C)CCS(=O)(=O)N(C)Cc1ccccc1O ZINC000866834452 638877500 /nfs/dbraw/zinc/87/75/00/638877500.db2.gz LOIGVBHYVUZXIA-UHFFFAOYSA-N 0 0 299.436 2.980 20 10 CFCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2)cc1F ZINC000121721752 638888252 /nfs/dbraw/zinc/88/82/52/638888252.db2.gz QVTJAFPALMDTSG-UHFFFAOYSA-N 0 0 288.322 2.909 20 10 CFCDRN C[C@@H](NS(=O)(=O)CCC(C)(C)C)c1ccccc1O ZINC000867834063 638900245 /nfs/dbraw/zinc/90/02/45/638900245.db2.gz KKBOSEHWFOAQJM-LLVKDONJSA-N 0 0 285.409 2.809 20 10 CFCDRN C[C@@H](NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccccc1O ZINC000867834494 638900551 /nfs/dbraw/zinc/90/05/51/638900551.db2.gz JVSDUMAAKFPFLH-MCYUEQNJSA-N 0 0 295.404 2.561 20 10 CFCDRN Cc1csc(CNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000867992845 638912573 /nfs/dbraw/zinc/91/25/73/638912573.db2.gz UJFHKBXUIDUCJA-JTQLQIEISA-N 0 0 291.376 2.718 20 10 CFCDRN C[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868044735 638917937 /nfs/dbraw/zinc/91/79/37/638917937.db2.gz NEPIVMQUCUKKQM-NEPJUHHUSA-N 0 0 288.347 2.977 20 10 CFCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)n1 ZINC000868106132 638923270 /nfs/dbraw/zinc/92/32/70/638923270.db2.gz WUNNNOIPKGMQDR-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN CC1(F)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000868162468 638926842 /nfs/dbraw/zinc/92/68/42/638926842.db2.gz HSDULHVMPRNMLF-UHFFFAOYSA-N 0 0 251.305 2.625 20 10 CFCDRN CCC1(CNC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868345989 638939458 /nfs/dbraw/zinc/93/94/58/638939458.db2.gz VSIHEFKCRPKKNL-LLVKDONJSA-N 0 0 262.353 2.943 20 10 CFCDRN C[C@@H](NC(=O)N[C@H](C)C1CCOCC1)c1ccccc1O ZINC000868404088 638943276 /nfs/dbraw/zinc/94/32/76/638943276.db2.gz DJADXJYJFHLSGE-VXGBXAGGSA-N 0 0 292.379 2.568 20 10 CFCDRN COCCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868423072 638944299 /nfs/dbraw/zinc/94/42/99/638944299.db2.gz YCUGJWLBKLNYAC-LBPRGKRZSA-N 0 0 292.379 2.569 20 10 CFCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000868441616 638945934 /nfs/dbraw/zinc/94/59/34/638945934.db2.gz YCGQTPJMTFUXTB-LNSITVRQSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000868473070 638948507 /nfs/dbraw/zinc/94/85/07/638948507.db2.gz LVJVHAWSVUKQGU-YNEHKIRRSA-N 0 0 292.379 2.568 20 10 CFCDRN CC[C@H](CSC)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868477658 638948684 /nfs/dbraw/zinc/94/86/84/638948684.db2.gz VXVDEXRSPVIJNA-WDEREUQCSA-N 0 0 282.409 2.894 20 10 CFCDRN C[C@@H](NC(=O)NC1CC(F)(F)C1)c1ccccc1O ZINC000868541210 638954474 /nfs/dbraw/zinc/95/44/74/638954474.db2.gz QCJWVXOABWVWBA-MRVPVSSYSA-N 0 0 270.279 2.550 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CCSC1)c1ccccc1O ZINC000868557464 638955858 /nfs/dbraw/zinc/95/58/58/638955858.db2.gz IRWXIZGAHUVFDM-MNOVXSKESA-N 0 0 280.393 2.506 20 10 CFCDRN Cc1cccc(CCNC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000868559416 638956179 /nfs/dbraw/zinc/95/61/79/638956179.db2.gz WZBBHZOPGVUSKC-ZDUSSCGKSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CSC[C@@H]1C)c1ccccc1O ZINC000868601230 638960438 /nfs/dbraw/zinc/96/04/38/638960438.db2.gz LRHDVBFFKPRVMX-UMNHJUIQSA-N 0 0 280.393 2.504 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CSC[C@@H]1C)c1ccccc1O ZINC000868601228 638960529 /nfs/dbraw/zinc/96/05/29/638960529.db2.gz LRHDVBFFKPRVMX-NHCYSSNCSA-N 0 0 280.393 2.504 20 10 CFCDRN COC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCCC1 ZINC000868655902 638966302 /nfs/dbraw/zinc/96/63/02/638966302.db2.gz XRKCQRIDHPSXHB-LBPRGKRZSA-N 0 0 292.379 2.712 20 10 CFCDRN CO[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868681324 638968477 /nfs/dbraw/zinc/96/84/77/638968477.db2.gz GFBFMWDKPYFCQW-ZIBATOQPSA-N 0 0 292.379 2.566 20 10 CFCDRN CCC(C)(C)OCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868691931 638969570 /nfs/dbraw/zinc/96/95/70/638969570.db2.gz CTDYSVATJDQETA-GFCCVEGCSA-N 0 0 294.395 2.958 20 10 CFCDRN COC1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868696570 638970033 /nfs/dbraw/zinc/97/00/33/638970033.db2.gz VKHJWVSMWPHWIX-HIFPTAJRSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1O ZINC000868705586 638971235 /nfs/dbraw/zinc/97/12/35/638971235.db2.gz GAGZKMYMIYMLHG-YVECIDJPSA-N 0 0 292.379 2.566 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1O ZINC000868705582 638971288 /nfs/dbraw/zinc/97/12/88/638971288.db2.gz GAGZKMYMIYMLHG-MROQNXINSA-N 0 0 292.379 2.566 20 10 CFCDRN Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)cc(C)n1 ZINC000868715923 638972520 /nfs/dbraw/zinc/97/25/20/638972520.db2.gz VRLAHPQEGBVGTK-ZDUSSCGKSA-N 0 0 299.374 2.964 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1cscn1)c1ccccc1O ZINC000868767003 638977016 /nfs/dbraw/zinc/97/70/16/638977016.db2.gz CUOPGYXICCAKHX-ZJUUUORDSA-N 0 0 291.376 2.970 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1O ZINC000868990824 639004217 /nfs/dbraw/zinc/00/42/17/639004217.db2.gz MHXBATKAXOGFEC-FXBDTBDDSA-N 0 0 288.269 2.703 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc2cc[nH]c21 ZINC000122654944 639302237 /nfs/dbraw/zinc/30/22/37/639302237.db2.gz GYUODVWAZXZRMD-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC000869719778 639370178 /nfs/dbraw/zinc/37/01/78/639370178.db2.gz ZXULBFXCNBJFNC-KRWDZBQOSA-N 0 0 290.359 2.593 20 10 CFCDRN CCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000078358787 650493696 /nfs/dbraw/zinc/49/36/96/650493696.db2.gz IWQAOAABQUSISR-UHFFFAOYSA-N 0 0 293.386 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20 10 CFCDRN O=C(C[C@@H]1C=CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204453 641243770 /nfs/dbraw/zinc/24/37/70/641243770.db2.gz KBBRMLXOXFIVOE-GFCCVEGCSA-N 0 0 257.333 2.981 20 10 CFCDRN O=C(c1cc(=O)[nH]c(C2CC2)c1)N1Cc2cccc(O)c2C1 ZINC000871205255 641243857 /nfs/dbraw/zinc/24/38/57/641243857.db2.gz XNRKBSGYZXXAQY-UHFFFAOYSA-N 0 0 296.326 2.526 20 10 CFCDRN O=C(c1[nH]ccc1C1CC1)N1Cc2cccc(O)c2C1 ZINC000871205513 641244453 /nfs/dbraw/zinc/24/44/53/641244453.db2.gz GHKOHVXFPFIQIX-UHFFFAOYSA-N 0 0 268.316 2.754 20 10 CFCDRN Cc1oc(C(C)C)nc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205825 641244941 /nfs/dbraw/zinc/24/49/41/641244941.db2.gz ZJZCBVIFZWXBNX-UHFFFAOYSA-N 0 0 286.331 2.968 20 10 CFCDRN O=C(c1cc2c([nH]1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871206312 641245525 /nfs/dbraw/zinc/24/55/25/641245525.db2.gz ZGGJZWMAXUENPB-UHFFFAOYSA-N 0 0 282.343 2.755 20 10 CFCDRN CCOC(=O)CC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000871679182 641399373 /nfs/dbraw/zinc/39/93/73/641399373.db2.gz UXCVGSHOPVMTDD-LURJTMIESA-N 0 0 293.797 2.799 20 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289.379 2.992 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)C[C@](C)(O)C1CC1 ZINC000872212918 641705718 /nfs/dbraw/zinc/70/57/18/641705718.db2.gz ROQGDVOUNNVCOS-PBHICJAKSA-N 0 0 293.407 2.799 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872264173 641726211 /nfs/dbraw/zinc/72/62/11/641726211.db2.gz NWJIZLFVMQQUJQ-KGLIPLIRSA-N 0 0 285.746 2.986 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC1(C)C ZINC000124074856 641780038 /nfs/dbraw/zinc/78/00/38/641780038.db2.gz ZJFVFGJGRHHOKW-CQSZACIVSA-N 0 0 260.381 2.723 20 10 CFCDRN Cc1c(F)ncnc1NCc1ccc(N(C)C)c(F)c1 ZINC000872431564 641808817 /nfs/dbraw/zinc/80/88/17/641808817.db2.gz DHEWVFRIPDJNIC-UHFFFAOYSA-N 0 0 278.306 2.741 20 10 CFCDRN Oc1ccccc1CNc1ccccc1N1CCC(O)CC1 ZINC000124117386 641825699 /nfs/dbraw/zinc/82/56/99/641825699.db2.gz MZYISQVPXRFENV-UHFFFAOYSA-N 0 0 298.386 2.965 20 10 CFCDRN O=C(NCCC[C@@H]1C=CCC1)NCc1ccccc1O ZINC000873135301 642024469 /nfs/dbraw/zinc/02/44/69/642024469.db2.gz VEDGBNMJFODXLK-CYBMUJFWSA-N 0 0 274.364 2.938 20 10 CFCDRN CCOc1ccc(O)c(CNc2cnn(CC)c2C)c1 ZINC000873196760 642060626 /nfs/dbraw/zinc/06/06/26/642060626.db2.gz XMDQPCDZVOPFQY-UHFFFAOYSA-N 0 0 275.352 2.928 20 10 CFCDRN CCCOc1ccc(CNCc2nonc2C)cc1C ZINC000873197045 642061471 /nfs/dbraw/zinc/06/14/71/642061471.db2.gz XTVYJNXJVPJPSQ-UHFFFAOYSA-N 0 0 275.352 2.765 20 10 CFCDRN [NH3+][C@@H]1CCCCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000873216841 642071549 /nfs/dbraw/zinc/07/15/49/642071549.db2.gz ZACPOPHDDXFIIN-GFCCVEGCSA-N 0 0 268.788 2.749 20 10 CFCDRN CC[C@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000124554937 642222367 /nfs/dbraw/zinc/22/23/67/642222367.db2.gz VFJPXTGYGPIOJN-NSHDSACASA-N 0 0 255.745 2.656 20 10 CFCDRN CCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873927290 642307708 /nfs/dbraw/zinc/30/77/08/642307708.db2.gz YSGCNZGAUQCSGK-UHFFFAOYSA-N 0 0 262.313 2.721 20 10 CFCDRN Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000195171372 650740256 /nfs/dbraw/zinc/74/02/56/650740256.db2.gz AEWBKNWPAXPDTA-UHFFFAOYSA-N 0 0 295.386 2.799 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccoc1 ZINC000124854048 642345382 /nfs/dbraw/zinc/34/53/82/642345382.db2.gz RVKCFDPLNNCDOB-UHFFFAOYSA-N 0 0 272.348 2.513 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000874988331 642573660 /nfs/dbraw/zinc/57/36/60/642573660.db2.gz SRWXRTIVJVBGKX-FZMZJTMJSA-N 0 0 274.364 2.996 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccn1 ZINC000874999947 642575357 /nfs/dbraw/zinc/57/53/57/642575357.db2.gz JWBFCDUBPMGVEU-NSHDSACASA-N 0 0 283.331 2.574 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC=CC2)cc1 ZINC000875121000 642586703 /nfs/dbraw/zinc/58/67/03/642586703.db2.gz KWAIRHDAQRFJFM-UHFFFAOYSA-N 0 0 273.380 2.614 20 10 CFCDRN Cc1occc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875137675 642589041 /nfs/dbraw/zinc/58/90/41/642589041.db2.gz HVAPAKZPFXYRMX-UHFFFAOYSA-N 0 0 272.304 2.519 20 10 CFCDRN CCC[C@@H](CC)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875175302 642594214 /nfs/dbraw/zinc/59/42/14/642594214.db2.gz JVZJDKIWLJBILL-GFCCVEGCSA-N 0 0 262.353 2.996 20 10 CFCDRN Cc1cnccc1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000875424358 642620563 /nfs/dbraw/zinc/62/05/63/642620563.db2.gz JFBRHJLFDHMHEI-ZDUSSCGKSA-N 0 0 299.374 2.699 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccccn2)c1 ZINC000875710058 642671950 /nfs/dbraw/zinc/67/19/50/642671950.db2.gz TYRSOPDMASFPDB-CYBMUJFWSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@]1(CCNC(=O)N2Cc3cccc(O)c3C2)CC1(F)F ZINC000875741153 642676960 /nfs/dbraw/zinc/67/69/60/642676960.db2.gz XHPRJZBZSPZUDH-AWEZNQCLSA-N 0 0 296.317 2.853 20 10 CFCDRN CCSC1(CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875746347 642678758 /nfs/dbraw/zinc/67/87/58/642678758.db2.gz HVGBSCYSKHJXHK-UHFFFAOYSA-N 0 0 292.404 2.703 20 10 CFCDRN CON(C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000875880769 642706766 /nfs/dbraw/zinc/70/67/66/642706766.db2.gz NYODLWFIUISEQV-UHFFFAOYSA-N 0 0 287.363 2.797 20 10 CFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccns1 ZINC000875893403 642709955 /nfs/dbraw/zinc/70/99/55/642709955.db2.gz DTHWSMYUKFFSHL-SECBINFHSA-N 0 0 289.360 2.635 20 10 CFCDRN O=C(N[C@H]1CCCC2(CC2)C1)C1=CC(=O)CS1 ZINC000888693969 642754321 /nfs/dbraw/zinc/75/43/21/642754321.db2.gz MYNBFXVSYWQYTN-VIFPVBQESA-N 0 0 251.351 2.906 20 10 CFCDRN COCCCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125795311 642782297 /nfs/dbraw/zinc/78/22/97/642782297.db2.gz GXROEJULNVZWPG-UHFFFAOYSA-N 0 0 297.395 2.965 20 10 CFCDRN O=C(NCCCCC1CC1)N1Cc2cccc(O)c2C1 ZINC000876172487 642787569 /nfs/dbraw/zinc/78/75/69/642787569.db2.gz XCCLGXMGYVRZKD-UHFFFAOYSA-N 0 0 274.364 2.998 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1cccc(C)c1F ZINC000876313722 642820318 /nfs/dbraw/zinc/82/03/18/642820318.db2.gz VHAHDVCTMGKTFW-CMDGGOBGSA-N 0 0 287.338 2.934 20 10 CFCDRN CCc1cc(C)c(C(=O)NCc2cc(OC)ccc2O)o1 ZINC000125921885 642857403 /nfs/dbraw/zinc/85/74/03/642857403.db2.gz OFSBWRFDYGGJRH-UHFFFAOYSA-N 0 0 289.331 2.795 20 10 CFCDRN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000086755135 650797418 /nfs/dbraw/zinc/79/74/18/650797418.db2.gz NIHZDFONWDNAJI-CYBMUJFWSA-N 0 0 263.337 2.612 20 10 CFCDRN CCO[C@@H](C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000876528620 642906138 /nfs/dbraw/zinc/90/61/38/642906138.db2.gz SSHWUNDYFGCLDG-MRXNPFEDSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@H]1C[NH+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)S1 ZINC000876642940 642955442 /nfs/dbraw/zinc/95/54/42/642955442.db2.gz PPTOXYRKJYEDSG-IUCAKERBSA-N 0 0 273.348 2.996 20 10 CFCDRN [O-]c1c(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc(F)c1F ZINC000876689577 642974641 /nfs/dbraw/zinc/97/46/41/642974641.db2.gz GSGHCXFWIZCLPO-ZDUSSCGKSA-N 0 0 296.361 2.731 20 10 CFCDRN Cc1ccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876771019 643003257 /nfs/dbraw/zinc/00/32/57/643003257.db2.gz STBSSCMWXRXGOQ-ZWNOBZJWSA-N 0 0 289.297 2.852 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000876789766 643008676 /nfs/dbraw/zinc/00/86/76/643008676.db2.gz IUVZRDVPVRNUBP-NSHDSACASA-N 0 0 273.323 2.509 20 10 CFCDRN Cc1cc(C)n(CCC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000876881968 643048160 /nfs/dbraw/zinc/04/81/60/643048160.db2.gz VKHDPJDXFNZULZ-UHFFFAOYSA-N 0 0 295.333 2.664 20 10 CFCDRN Cc1ccc2c(c1)CCCN2C(=O)c1cccc(O)c1O ZINC000126215373 643052094 /nfs/dbraw/zinc/05/20/94/643052094.db2.gz HCDNCNXCSYQSNZ-UHFFFAOYSA-N 0 0 283.327 2.999 20 10 CFCDRN O=C(Nc1nc2ccccc2s1)c1cccc(O)c1O ZINC000126215128 643052368 /nfs/dbraw/zinc/05/23/68/643052368.db2.gz CJZNQTCGQCCRLJ-UHFFFAOYSA-N 0 0 286.312 2.960 20 10 CFCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1 ZINC000126238902 643059631 /nfs/dbraw/zinc/05/96/31/643059631.db2.gz HLOODGFBDDOPQR-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H](c2ccccn2)C2CCC2)cc1 ZINC000877010565 643103023 /nfs/dbraw/zinc/10/30/23/643103023.db2.gz DASWXIQNINMNMG-SFHVURJKSA-N 0 0 295.386 2.864 20 10 CFCDRN CC(C)n1ncc(C(=O)N(C)c2ccc(N)cc2)c1Cl ZINC000877074498 643136670 /nfs/dbraw/zinc/13/66/70/643136670.db2.gz MDJLWTLHCQYPPE-UHFFFAOYSA-N 0 0 292.770 2.976 20 10 CFCDRN CCO[C@@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1 ZINC000877076778 643138632 /nfs/dbraw/zinc/13/86/32/643138632.db2.gz QRAUHHDSAHUXPA-OAHLLOKOSA-N 0 0 276.380 2.827 20 10 CFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)oc2c1C(=O)CCC2 ZINC000877078368 643139394 /nfs/dbraw/zinc/13/93/94/643139394.db2.gz NTLNQLRTQGAASG-UHFFFAOYSA-N 0 0 298.342 2.966 20 10 CFCDRN Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877079190 643139687 /nfs/dbraw/zinc/13/96/87/643139687.db2.gz UMGKLSXJPMQTDD-CQSZACIVSA-N 0 0 293.313 2.802 20 10 CFCDRN Cc1cc2c(cc1C)O[C@H](C(=O)N(C)c1ccc(N)cc1)C2 ZINC000877077421 643139736 /nfs/dbraw/zinc/13/97/36/643139736.db2.gz HQZVWPPVGBFEID-KRWDZBQOSA-N 0 0 296.370 2.852 20 10 CFCDRN C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877095099 643150406 /nfs/dbraw/zinc/15/04/06/643150406.db2.gz WCWUJCGESQSKRU-UWVGGRQHSA-N 0 0 271.307 2.575 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H]1CCCO1 ZINC000877123058 643162631 /nfs/dbraw/zinc/16/26/31/643162631.db2.gz FIIIAKBPHWJTJE-VXGBXAGGSA-N 0 0 271.307 2.718 20 10 CFCDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877135471 643170947 /nfs/dbraw/zinc/17/09/47/643170947.db2.gz DNKKCXFFINQEIJ-DGCLKSJQSA-N 0 0 285.334 2.964 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(OCCO)c(C)c1 ZINC000877194677 643198384 /nfs/dbraw/zinc/19/83/84/643198384.db2.gz SBIRRZYONDFZNL-UHFFFAOYSA-N 0 0 287.359 2.992 20 10 CFCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877309130 643230558 /nfs/dbraw/zinc/23/05/58/643230558.db2.gz HCKIFWJVPQWUHE-MNOVXSKESA-N 0 0 285.334 2.965 20 10 CFCDRN Cc1ccc(CNc2cnn(C)c2C2CC2)c(O)c1 ZINC000877397967 643258982 /nfs/dbraw/zinc/25/89/82/643258982.db2.gz CESVHCVGMWNEKF-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877465253 643286262 /nfs/dbraw/zinc/28/62/62/643286262.db2.gz SCUCFSYOPRJKAY-GIPNMCIBSA-N 0 0 285.334 2.652 20 10 CFCDRN C/C=C/C[C@@H](NCc1ccc(C)cc1O)C(=O)OCC ZINC000877476638 643294375 /nfs/dbraw/zinc/29/43/75/643294375.db2.gz JPSJFNOPWRXKGJ-YVARQFDVSA-N 0 0 277.364 2.688 20 10 CFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC000877516798 643321043 /nfs/dbraw/zinc/32/10/43/643321043.db2.gz IJTXFJBRPOVUOI-FPTLTGCRSA-N 0 0 295.329 2.526 20 10 CFCDRN Cc1ccc(CN2CCOC[C@@H]2CC(F)F)c(O)c1 ZINC000877518611 643324469 /nfs/dbraw/zinc/32/44/69/643324469.db2.gz KPXWCWCJZOBMOO-LBPRGKRZSA-N 0 0 271.307 2.557 20 10 CFCDRN CCCN1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877521029 643325515 /nfs/dbraw/zinc/32/55/15/643325515.db2.gz OLCIUSMLBMWKND-LBPRGKRZSA-N 0 0 284.350 2.634 20 10 CFCDRN C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877528565 643332483 /nfs/dbraw/zinc/33/24/83/643332483.db2.gz DQWHWZYIYFWAPO-HNNXBMFYSA-N 0 0 285.334 2.797 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)c1ccccc1 ZINC000877535707 643339050 /nfs/dbraw/zinc/33/90/50/643339050.db2.gz RKQXGIZIHLHBAS-MEBBXXQBSA-N 0 0 293.313 2.882 20 10 CFCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877555623 643357204 /nfs/dbraw/zinc/35/72/04/643357204.db2.gz XVZSWNOKANXTPR-MRXNPFEDSA-N 0 0 299.361 2.901 20 10 CFCDRN Cc1ccc(CNc2cccc(CCO)c2)c(O)c1 ZINC000877574882 643373261 /nfs/dbraw/zinc/37/32/61/643373261.db2.gz YEXWIEVAACISFT-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877588551 643383093 /nfs/dbraw/zinc/38/30/93/643383093.db2.gz SCLHQXHDWCIVSX-VFZGTOFNSA-N 0 0 285.334 2.964 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](O)C(C)C ZINC000877590793 643385053 /nfs/dbraw/zinc/38/50/53/643385053.db2.gz HOYRIKSBSQHLRX-AAEUAGOBSA-N 0 0 273.323 2.556 20 10 CFCDRN COC1([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877590675 643385276 /nfs/dbraw/zinc/38/52/76/643385276.db2.gz DEDCOUWBPAVQCE-VIFPVBQESA-N 0 0 271.307 2.718 20 10 CFCDRN CC[C@H](NCc1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000877607741 643394312 /nfs/dbraw/zinc/39/43/12/643394312.db2.gz KJMBYRQDDYWZRT-ZDUSSCGKSA-N 0 0 279.380 2.911 20 10 CFCDRN Cc1cccc(O)c1C[NH2+][C@H](C)Cc1ccccn1 ZINC000877617959 643403394 /nfs/dbraw/zinc/40/33/94/643403394.db2.gz AVEDKUQXBDRRII-CYBMUJFWSA-N 0 0 256.349 2.816 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2Cc3cnn(C)c3C2)cc1 ZINC000877632631 643416753 /nfs/dbraw/zinc/41/67/53/643416753.db2.gz IASWCHJSSNBDLM-SNAWJCMRSA-N 0 0 282.391 2.515 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCCCCCNC(=O)CC1 ZINC000877684900 643453756 /nfs/dbraw/zinc/45/37/56/643453756.db2.gz CEWHSWKNFAGCRE-UHFFFAOYSA-N 0 0 290.407 2.583 20 10 CFCDRN Cc1c(CN2Cc3cccc(O)c3C2)ccnc1F ZINC000877703221 643469126 /nfs/dbraw/zinc/46/91/26/643469126.db2.gz WTDMQANGCGGFNM-UHFFFAOYSA-N 0 0 258.296 2.751 20 10 CFCDRN CC1(C)C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC000877718090 643482675 /nfs/dbraw/zinc/48/26/75/643482675.db2.gz WXNZLTCUWXUVKH-UHFFFAOYSA-N 0 0 270.170 2.997 20 10 CFCDRN CCOC(=O)[C@H](C)C1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000877831376 643597280 /nfs/dbraw/zinc/59/72/80/643597280.db2.gz XJIKWFHURMOZNO-SNVBAGLBSA-N 0 0 297.782 2.677 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1C[C@@H](OC)C1 ZINC000877944160 643656618 /nfs/dbraw/zinc/65/66/18/643656618.db2.gz MBCHDVODDGIZPC-JNSHFYNHSA-N 0 0 261.365 2.873 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)c(OC)c1 ZINC000878295219 643825604 /nfs/dbraw/zinc/82/56/04/643825604.db2.gz XDHIJKVQYPIXFW-NEPJUHHUSA-N 0 0 265.353 2.565 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878801525 644030875 /nfs/dbraw/zinc/03/08/75/644030875.db2.gz KNZRJEISAWIGJF-INIZCTEOSA-N 0 0 291.391 2.860 20 10 CFCDRN CCOC[C@H](O)CN(CC1CC1)c1ccc(OCC)cc1 ZINC000879116851 644149346 /nfs/dbraw/zinc/14/93/46/644149346.db2.gz BICGUQGQUNITLY-MRXNPFEDSA-N 0 0 293.407 2.699 20 10 CFCDRN CCOc1ccc(N(CC(=O)N2CCC2)CC2CC2)cc1 ZINC000879120009 644150440 /nfs/dbraw/zinc/15/04/40/644150440.db2.gz WKQFOZZMFZZCSJ-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN COC(=O)c1coc([C@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879650131 644364293 /nfs/dbraw/zinc/36/42/93/644364293.db2.gz KIEOODPZFPGLSN-ZJUUUORDSA-N 0 0 290.319 2.579 20 10 CFCDRN COC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1O ZINC000093441010 650939907 /nfs/dbraw/zinc/93/99/07/650939907.db2.gz JKSAZXRSDOKBKU-GFCCVEGCSA-N 0 0 283.755 2.573 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]1C ZINC000249271744 650956921 /nfs/dbraw/zinc/95/69/21/650956921.db2.gz BIJIRUMWPTWQMQ-GMTAPVOTSA-N 0 0 263.337 2.652 20 10 CFCDRN COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)nc1 ZINC000094762633 650963144 /nfs/dbraw/zinc/96/31/44/650963144.db2.gz RBGHYIIKHDXHHZ-UHFFFAOYSA-N 0 0 286.331 2.513 20 10 CFCDRN CC(C)SCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881283899 644943420 /nfs/dbraw/zinc/94/34/20/644943420.db2.gz KYIGTDCEKUPDDR-UHFFFAOYSA-N 0 0 292.408 2.581 20 10 CFCDRN CC1(C)CC(Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000881312169 644949190 /nfs/dbraw/zinc/94/91/90/644949190.db2.gz LELRDAKPWCGWLC-UHFFFAOYSA-N 0 0 286.379 2.876 20 10 CFCDRN C[C@@H](CC1CCC1)NC(=O)c1c(F)ccc(O)c1O ZINC000881369641 644963203 /nfs/dbraw/zinc/96/32/03/644963203.db2.gz KDAJINNGFDXGMS-QMMMGPOBSA-N 0 0 267.300 2.545 20 10 CFCDRN Cc1cc(Cn2cc(-c3cncs3)nn2)ccc1N(C)C ZINC000881379139 644963839 /nfs/dbraw/zinc/96/38/39/644963839.db2.gz ZRHPFHWQSMMNRR-UHFFFAOYSA-N 0 0 299.403 2.824 20 10 CFCDRN CC(=O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881378617 644964105 /nfs/dbraw/zinc/96/41/05/644964105.db2.gz FSDDOOITJFQJIL-UHFFFAOYSA-N 0 0 298.390 2.828 20 10 CFCDRN COc1cccc(CNc2ccc3c(n2)C(=O)CC3)c1O ZINC000881909854 645151907 /nfs/dbraw/zinc/15/19/07/645151907.db2.gz VJVRBPQFODXTJG-UHFFFAOYSA-N 0 0 284.315 2.537 20 10 CFCDRN COc1ccc(N(C)Cc2cnoc2C)c(OC)c1 ZINC000129385083 645174648 /nfs/dbraw/zinc/17/46/48/645174648.db2.gz MEDNMLXALIAPDX-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN Cc1cncnc1NCc1ccc(N2CC=CC2)cc1 ZINC000882008628 645175589 /nfs/dbraw/zinc/17/55/89/645175589.db2.gz WNQXNEUIQUSQCV-UHFFFAOYSA-N 0 0 266.348 2.773 20 10 CFCDRN COC(=O)c1cc(OCc2ccns2)ccc1N(C)C ZINC000882285814 645263235 /nfs/dbraw/zinc/26/32/35/645263235.db2.gz CCUFDRQTNGXQIZ-UHFFFAOYSA-N 0 0 292.360 2.575 20 10 CFCDRN CCn1nc(C)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1C ZINC000882967433 645532812 /nfs/dbraw/zinc/53/28/12/645532812.db2.gz GWPDOBXGJUPXHY-UHFFFAOYSA-N 0 0 295.333 2.793 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883000950 645555587 /nfs/dbraw/zinc/55/55/87/645555587.db2.gz QCHWWJZBCWTDPK-MRXNPFEDSA-N 0 0 293.313 2.668 20 10 CFCDRN C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883003426 645556761 /nfs/dbraw/zinc/55/67/61/645556761.db2.gz PHKOIIOZIUYEBP-INIZCTEOSA-N 0 0 293.313 2.668 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026170 645568074 /nfs/dbraw/zinc/56/80/74/645568074.db2.gz KUZCIJXUCJKONA-BXKDBHETSA-N 0 0 273.323 2.557 20 10 CFCDRN CC(C)[C@H](O)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883083404 645597231 /nfs/dbraw/zinc/59/72/31/645597231.db2.gz KWUPXDCXNMLTMS-AWEZNQCLSA-N 0 0 285.334 2.557 20 10 CFCDRN COc1cccc(CNC(=O)c2cccc(C)c2F)c1O ZINC000131043485 645616834 /nfs/dbraw/zinc/61/68/34/645616834.db2.gz ACDQWDZNSQFEPA-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)C(C)C ZINC000883146283 645624755 /nfs/dbraw/zinc/62/47/55/645624755.db2.gz HFGJMBZJASWPFX-STQMWFEESA-N 0 0 273.323 2.556 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883157833 645631271 /nfs/dbraw/zinc/63/12/71/645631271.db2.gz MARXVFBKZZORSX-ZANVPECISA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000883161942 645632242 /nfs/dbraw/zinc/63/22/42/645632242.db2.gz FZMHPJUOPATEIJ-HUUCEWRRSA-N 0 0 296.361 2.777 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000883202799 645661476 /nfs/dbraw/zinc/66/14/76/645661476.db2.gz KWBPWRSUTWJVAI-LJWDBELGSA-N 0 0 283.318 2.718 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCC2CCC2)cc1F ZINC000131241572 645676154 /nfs/dbraw/zinc/67/61/54/645676154.db2.gz NFMKWHOVISQGHF-UHFFFAOYSA-N 0 0 293.386 2.881 20 10 CFCDRN CCCCOC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000131427180 645723497 /nfs/dbraw/zinc/72/34/97/645723497.db2.gz VDVDAUWRYYQMDU-UHFFFAOYSA-N 0 0 269.316 2.614 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCC(C)(C)C)c1 ZINC000131480729 645730908 /nfs/dbraw/zinc/73/09/08/645730908.db2.gz HGYDTHULTUVSAN-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN CCOCc1cc(CN[C@H](C)C(F)F)ccc1OC ZINC000883406695 645802660 /nfs/dbraw/zinc/80/26/60/645802660.db2.gz YKOAJVKQYNYKGT-SNVBAGLBSA-N 0 0 273.323 2.975 20 10 CFCDRN CCCCOCCN(C)c1ccc(OC)cc1OC ZINC000131996043 645860287 /nfs/dbraw/zinc/86/02/87/645860287.db2.gz SUDQGRDGYFZAKB-UHFFFAOYSA-N 0 0 267.369 2.957 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132664269 645948378 /nfs/dbraw/zinc/94/83/78/645948378.db2.gz CIPPWTCJCATARA-VIFPVBQESA-N 0 0 270.170 2.997 20 10 CFCDRN CC1(C)CO[C@@H](CCC(=O)NCCc2ccc(N)cc2)C1 ZINC000884028402 646120057 /nfs/dbraw/zinc/12/00/57/646120057.db2.gz GEWXIDJQDBIEPX-HNNXBMFYSA-N 0 0 290.407 2.523 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H](F)C(F)(F)F ZINC000800186543 646178473 /nfs/dbraw/zinc/17/84/73/646178473.db2.gz FCNKQZVJAWJQOK-XCRNYIDWSA-N 0 0 294.200 2.555 20 10 CFCDRN Cc1cc(C)cc(C(=O)NCc2ccccc2O)c1 ZINC000133781018 646228130 /nfs/dbraw/zinc/22/81/30/646228130.db2.gz FPAFSIZSAVCQTK-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(OC(F)F)cc1 ZINC000133799187 646228716 /nfs/dbraw/zinc/22/87/16/646228716.db2.gz NMXGAUCBGRLZKD-UHFFFAOYSA-N 0 0 293.269 2.924 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccccc2O)c1[N+](=O)[O-] ZINC000133799002 646229529 /nfs/dbraw/zinc/22/95/29/646229529.db2.gz OVOKKTLQGXDUKD-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCCC1 ZINC000133919259 646255171 /nfs/dbraw/zinc/25/51/71/646255171.db2.gz KETKBIGHZGMYOU-UHFFFAOYSA-N 0 0 285.391 2.758 20 10 CFCDRN Cc1ccccc1CCC(=O)NCc1ccccc1O ZINC000134348041 646331826 /nfs/dbraw/zinc/33/18/26/646331826.db2.gz DLGQKQKCBLILEE-UHFFFAOYSA-N 0 0 269.344 2.950 20 10 CFCDRN C[C@@H](NS(=O)(=O)CCCC1CC1)c1ccccc1O ZINC000885343971 646666326 /nfs/dbraw/zinc/66/63/26/646666326.db2.gz SXQRJGGPLXWTRT-LLVKDONJSA-N 0 0 283.393 2.563 20 10 CFCDRN COc1ccc(O)c(CNc2cccc(CCCO)c2)c1 ZINC000136265446 646757645 /nfs/dbraw/zinc/75/76/45/646757645.db2.gz ADZRYBWNVFGPPN-UHFFFAOYSA-N 0 0 287.359 2.938 20 10 CFCDRN Cc1[nH]nc(NCc2cc(F)cc(F)c2O)c1C ZINC000886197897 646916571 /nfs/dbraw/zinc/91/65/71/646916571.db2.gz PSQTZVQBGUXPPL-UHFFFAOYSA-N 0 0 253.252 2.622 20 10 CFCDRN C[C@H]([NH2+]CCc1ccccn1)c1c([O-])cccc1F ZINC000886490116 647017399 /nfs/dbraw/zinc/01/73/99/647017399.db2.gz ZNUHZUCHYHKGTD-NSHDSACASA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1c([O-])cccc1F ZINC000886493458 647018835 /nfs/dbraw/zinc/01/88/35/647018835.db2.gz MTSACMIZFDETSB-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886493506 647018972 /nfs/dbraw/zinc/01/89/72/647018972.db2.gz ODTRICJAALZQBX-STQMWFEESA-N 0 0 297.370 2.768 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526647 647029829 /nfs/dbraw/zinc/02/98/29/647029829.db2.gz PGSSQVSZZUIBPR-YGRLFVJLSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526929 647030230 /nfs/dbraw/zinc/03/02/30/647030230.db2.gz VEZWQSILFGSYMW-ZIBATOQPSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1c([O-])cccc1F ZINC000886531083 647032392 /nfs/dbraw/zinc/03/23/92/647032392.db2.gz WJHKUPMYWQHZMA-NBLIUIFLSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c([O-])cccc1F ZINC000886540701 647037437 /nfs/dbraw/zinc/03/74/37/647037437.db2.gz JKWAPBFIKNEGAP-SRVKXCTJSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1c([O-])cccc1F ZINC000886549087 647042760 /nfs/dbraw/zinc/04/27/60/647042760.db2.gz BNFBNZVYIXBELK-WDEREUQCSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+]CCCOC1CCOCC1)c1c([O-])cccc1F ZINC000886549411 647043728 /nfs/dbraw/zinc/04/37/28/647043728.db2.gz HQUCYCXSVOXFLD-LBPRGKRZSA-N 0 0 297.370 2.768 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886555113 647045648 /nfs/dbraw/zinc/04/56/48/647045648.db2.gz LHRRKLORFIYQAO-LLVKDONJSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@H]([NH2+]CCCCCCO)c1c([O-])cccc1F ZINC000886561536 647047747 /nfs/dbraw/zinc/04/77/47/647047747.db2.gz AYRLBHCVIOHTFB-NSHDSACASA-N 0 0 255.333 2.735 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1c([O-])cccc1F ZINC000886561804 647047944 /nfs/dbraw/zinc/04/79/44/647047944.db2.gz JRHJPOAHKVXBQV-GHMZBOCLSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1c([O-])cccc1F ZINC000886591720 647057617 /nfs/dbraw/zinc/05/76/17/647057617.db2.gz AEKKSRPHNZQWMQ-BXKDBHETSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1c([O-])cccc1F ZINC000886594258 647058718 /nfs/dbraw/zinc/05/87/18/647058718.db2.gz IVMMXYMRUBVRIE-LOWVWBTDSA-N 0 0 267.344 2.733 20 10 CFCDRN CCOC(CC[NH2+][C@@H](C)c1c([O-])cccc1F)OCC ZINC000886597110 647060436 /nfs/dbraw/zinc/06/04/36/647060436.db2.gz WMRVYGGLEOXSHH-NSHDSACASA-N 0 0 285.359 2.971 20 10 CFCDRN COCC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886613708 647067928 /nfs/dbraw/zinc/06/79/28/647067928.db2.gz CCQWKIRPUCWRRN-SNVBAGLBSA-N 0 0 255.333 2.855 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886615277 647068931 /nfs/dbraw/zinc/06/89/31/647068931.db2.gz CEDJSUUHSMNZLJ-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN CCC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886616003 647068953 /nfs/dbraw/zinc/06/89/53/647068953.db2.gz SKMBVIYIMWZASV-MNOVXSKESA-N 0 0 255.333 2.997 20 10 CFCDRN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886617423 647071043 /nfs/dbraw/zinc/07/10/43/647071043.db2.gz NXCUGUVMZWRFSI-NHYWBVRUSA-N 0 0 296.386 2.685 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886632911 647079143 /nfs/dbraw/zinc/07/91/43/647079143.db2.gz JIGYBLFWTARZSX-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1c([O-])cccc1F ZINC000886632912 647079294 /nfs/dbraw/zinc/07/92/94/647079294.db2.gz JIGYBLFWTARZSX-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1c([O-])cccc1F ZINC000886634435 647079896 /nfs/dbraw/zinc/07/98/96/647079896.db2.gz DRTAVQLNWHMTEL-VHSXEESVSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1c([O-])cccc1F ZINC000886634433 647080185 /nfs/dbraw/zinc/08/01/85/647080185.db2.gz DRTAVQLNWHMTEL-NXEZZACHSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886636010 647080820 /nfs/dbraw/zinc/08/08/20/647080820.db2.gz DRECXDVMLRFAQJ-KCJUWKMLSA-N 0 0 275.270 2.606 20 10 CFCDRN C[C@@H]([NH2+]CC1CCC(O)CC1)c1c([O-])cccc1F ZINC000886638311 647081697 /nfs/dbraw/zinc/08/16/97/647081697.db2.gz QXTNEIWPZCQTCV-VOMCLLRMSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886650602 647089368 /nfs/dbraw/zinc/08/93/68/647089368.db2.gz ZMFCGFQZEINFOV-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1ccc([C@H](C)N[C@@H](CCO)C(F)(F)F)c(O)c1C ZINC000886802064 647144710 /nfs/dbraw/zinc/14/47/10/647144710.db2.gz YELKLTIGEKVGLZ-JQWIXIFHSA-N 0 0 291.313 2.973 20 10 CFCDRN O=C(C[C@@H]1CC=CCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000924245354 647947652 /nfs/dbraw/zinc/94/76/52/647947652.db2.gz FNYOZLFRECSISS-LLVKDONJSA-N 0 0 290.315 2.570 20 10 CFCDRN CCOCCOCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000927084641 648704048 /nfs/dbraw/zinc/70/40/48/648704048.db2.gz ASQBKEHRJODXRX-CQSZACIVSA-N 0 0 285.359 2.625 20 10 CFCDRN COC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000927095520 648709642 /nfs/dbraw/zinc/70/96/42/648709642.db2.gz BSUUSZKHFCJINO-NWDGAFQWSA-N 0 0 296.367 2.870 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CCS1 ZINC000927232943 648742181 /nfs/dbraw/zinc/74/21/81/648742181.db2.gz QGZCFIZOJYLQMD-ZYHUDNBSSA-N 0 0 292.404 2.702 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927413429 648771536 /nfs/dbraw/zinc/77/15/36/648771536.db2.gz PMNLAVIOGQOVSG-OOIFCOQQSA-N 0 0 287.359 2.663 20 10 CFCDRN CCC(CC)CNC(=O)NCc1cccc(OC)c1O ZINC000074348684 648807707 /nfs/dbraw/zinc/80/77/07/648807707.db2.gz YSFXDRBLKFWWRV-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCC(=O)NCc1c(O)cccc1F ZINC000928706535 648944527 /nfs/dbraw/zinc/94/45/27/648944527.db2.gz VYVFJCPOKVOKHT-XHDPSFHLSA-N 0 0 295.354 2.743 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1scnc1C1CC1 ZINC000928705992 648944622 /nfs/dbraw/zinc/94/46/22/648944622.db2.gz PXIZKVBXDVYHHJ-UHFFFAOYSA-N 0 0 292.335 2.795 20 10 CFCDRN CSCC1(CC(=O)NCc2c(O)cccc2F)CC1 ZINC000928706638 648945274 /nfs/dbraw/zinc/94/52/74/648945274.db2.gz SULQSEYUURMXOI-UHFFFAOYSA-N 0 0 283.368 2.681 20 10 CFCDRN CCn1c(C)cc(C(=O)NCc2c(O)cccc2F)c1C ZINC000928707817 648945481 /nfs/dbraw/zinc/94/54/81/648945481.db2.gz CGZUAXGIHXAJJI-UHFFFAOYSA-N 0 0 290.338 2.900 20 10 CFCDRN CC1(C)CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928707678 648945622 /nfs/dbraw/zinc/94/56/22/648945622.db2.gz GICYVCVWGSDRHZ-NSHDSACASA-N 0 0 265.328 2.974 20 10 CFCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928707754 648945644 /nfs/dbraw/zinc/94/56/44/648945644.db2.gz HTGWZOJMQIWSQV-NEPJUHHUSA-N 0 0 295.354 2.743 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccnn2C2CCC2)cc1 ZINC000929402228 649045506 /nfs/dbraw/zinc/04/55/06/649045506.db2.gz CCKOGCGTPPYSFA-UHFFFAOYSA-N 0 0 298.390 2.604 20 10 CFCDRN CCOc1ccc(N(C)Cc2noc3c2COCC3)cc1 ZINC000929695637 649099627 /nfs/dbraw/zinc/09/96/27/649099627.db2.gz HVXVUSJSPIUQRN-UHFFFAOYSA-N 0 0 288.347 2.782 20 10 CFCDRN Cc1cccc([C@H](O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000929975686 649158701 /nfs/dbraw/zinc/15/87/01/649158701.db2.gz IEZLSZBTYCOXGO-QGZVFWFLSA-N 0 0 271.360 2.866 20 10 CFCDRN COC/C(C)=C\CN1CCOc2cc(N(C)C)ccc21 ZINC000930125208 649189726 /nfs/dbraw/zinc/18/97/26/649189726.db2.gz BKZGBRWBGAMZLR-QPEQYQDCSA-N 0 0 276.380 2.544 20 10 CFCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2cn(C)cn2)c1 ZINC000930315346 649228598 /nfs/dbraw/zinc/22/85/98/649228598.db2.gz AKZHQRPPKBMYGN-AATRIKPKSA-N 0 0 269.348 2.713 20 10 CFCDRN CC(C)OCc1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000931553564 649453522 /nfs/dbraw/zinc/45/35/22/649453522.db2.gz FADRBPKQLXQKPM-NSHDSACASA-N 0 0 291.351 2.551 20 10 CFCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000931785770 649489136 /nfs/dbraw/zinc/48/91/36/649489136.db2.gz INFDEBKKZXSMBS-LURJTMIESA-N 0 0 296.676 2.796 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934691753 649816186 /nfs/dbraw/zinc/81/61/86/649816186.db2.gz MXRPMENLTLPQOK-MRXNPFEDSA-N 0 0 299.330 2.936 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(C2CC2)[nH]c1=O ZINC000934704690 649817780 /nfs/dbraw/zinc/81/77/80/649817780.db2.gz FKCSXVXNYOOSMG-UHFFFAOYSA-N 0 0 298.342 2.642 20 10 CFCDRN Nc1ncccc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001243476832 782224454 /nfs/dbraw/zinc/22/44/54/782224454.db2.gz FBVNGRRZQSTRNV-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN Cn1c(=O)cnc2ccc(-c3cnn(C(C)(C)C)c3)cc21 ZINC001243563686 782280475 /nfs/dbraw/zinc/28/04/75/782280475.db2.gz RRLFEXFSZFCYQW-UHFFFAOYSA-N 0 0 282.347 2.552 20 10 CFCDRN COCC[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077233 779006015 /nfs/dbraw/zinc/00/60/15/779006015.db2.gz DKVJOLNIMHWZMY-UHFFFAOYSA-N 0 0 264.152 2.777 20 10 CFCDRN CC1(C[N@@H+]2CCc3cccc(O)c3C2)CCOCC1 ZINC001208077486 769850268 /nfs/dbraw/zinc/85/02/68/769850268.db2.gz USBYLQVCFFLIFO-UHFFFAOYSA-N 0 0 261.365 2.567 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2c(O)cccc2Cl)c1 ZINC001167293932 770227080 /nfs/dbraw/zinc/22/70/80/770227080.db2.gz VKBBVJWQNJCBQI-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@]23C[C@@H]2CCCC3)cc1 ZINC000693220352 770397940 /nfs/dbraw/zinc/39/79/40/770397940.db2.gz ZPCTUXMKTCDULG-BBRMVZONSA-N 0 0 258.365 2.508 20 10 CFCDRN O=C(c1ccncc1)c1ccccc1NC1=CCOC1 ZINC001203398165 770460325 /nfs/dbraw/zinc/46/03/25/770460325.db2.gz VQJZJMCZEKDTHV-UHFFFAOYSA-N 0 0 266.300 2.639 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403570 770532126 /nfs/dbraw/zinc/53/21/26/770532126.db2.gz QYBPDVFQXHIZHN-YIGWZEFJSA-N 0 0 275.348 2.806 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2ccccc2C1 ZINC000588406370 770536750 /nfs/dbraw/zinc/53/67/50/770536750.db2.gz BXNRCKMNFHQZTN-VURMDHGXSA-N 0 0 281.311 2.653 20 10 CFCDRN CCc1cc(N(CCO)c2ccc(N)cc2)ccc1N ZINC001216038045 770656038 /nfs/dbraw/zinc/65/60/38/770656038.db2.gz ZZGYQSUPSNXTDR-UHFFFAOYSA-N 0 0 271.364 2.544 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccccc1 ZINC000588432675 770659254 /nfs/dbraw/zinc/65/92/54/770659254.db2.gz WEWWEQDHPRBZSM-CHOZFAJLSA-N 0 0 297.354 2.858 20 10 CFCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1C[C@@H]1F ZINC001143430422 770843055 /nfs/dbraw/zinc/84/30/55/770843055.db2.gz PKJIGVLRKXLZPN-LWYJJKHFSA-N 0 0 299.309 2.963 20 10 CFCDRN O=C(/C=C\c1ccc[nH]1)NCCCSc1nccs1 ZINC000588548705 773191683 /nfs/dbraw/zinc/19/16/83/773191683.db2.gz SONFHKPLTIVDDB-PLNGDYQASA-N 0 0 293.417 2.783 20 10 CFCDRN CC[C@H](C)C[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465970 775835378 /nfs/dbraw/zinc/83/53/78/775835378.db2.gz XUJIHWVVUZJJIX-YUMQZZPRSA-N 0 0 286.324 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777380127 /nfs/dbraw/zinc/38/01/27/777380127.db2.gz RKBJCQPIKPKRTA-CQSZACIVSA-N 0 0 269.772 2.783 20 10 CFCDRN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(Cl)c1[O-] ZINC001231912726 777381737 /nfs/dbraw/zinc/38/17/37/777381737.db2.gz UTXRCTCYPMRWPH-FZMZJTMJSA-N 0 0 280.799 2.572 20 10 CFCDRN Oc1cc2c(cc1O)CN(Cc1ccns1)CCC2 ZINC001232192452 777466534 /nfs/dbraw/zinc/46/65/34/777466534.db2.gz IOFGTTHFBWGMCL-UHFFFAOYSA-N 0 0 276.361 2.503 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@]1(C)O ZINC001232259458 777496288 /nfs/dbraw/zinc/49/62/88/777496288.db2.gz JGQZWEZFABYWOM-BONVTDFDSA-N 0 0 299.798 2.734 20 10 CFCDRN Oc1cc(O)c(CN2CC(F)(C3CC3)C2)cc1Cl ZINC001232259014 777496771 /nfs/dbraw/zinc/49/67/71/777496771.db2.gz GYYDIUZMTSSALW-UHFFFAOYSA-N 0 0 271.719 2.685 20 10 CFCDRN Oc1cc(O)c(CN2CCOCC23CCC3)cc1Cl ZINC001232262444 777497794 /nfs/dbraw/zinc/49/77/94/777497794.db2.gz HUOXULFTLYTKDY-UHFFFAOYSA-N 0 0 283.755 2.506 20 10 CFCDRN COc1cc(O)c(CN2CC(F)(F)C2)cc1Cl ZINC001232264989 777497860 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Oc1ccc(F)c(Cl)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234999406 778348480 /nfs/dbraw/zinc/34/84/80/778348480.db2.gz LOPXFBYFXJLXGP-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1C[C@@H]1F ZINC001126784150 778394253 /nfs/dbraw/zinc/39/42/53/778394253.db2.gz ZFDQWTIZVAWKBV-QWRGUYRKSA-N 0 0 296.305 2.693 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001142509064 778395614 /nfs/dbraw/zinc/39/56/14/778395614.db2.gz WAMRSVJYPKTAKA-IUCAKERBSA-N 0 0 263.234 2.552 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001142509037 778395918 /nfs/dbraw/zinc/39/59/18/778395918.db2.gz UVLHPHJPRGCERL-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCc2cccnc2C1 ZINC001142527244 778401876 /nfs/dbraw/zinc/40/18/76/778401876.db2.gz PQSVBEGQYCDJOV-UHFFFAOYSA-N 0 0 276.286 2.624 20 10 CFCDRN CCCC[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC[NH2+]1 ZINC001236137011 778710274 /nfs/dbraw/zinc/71/02/74/778710274.db2.gz JMVOQNVFWVVASO-GFCCVEGCSA-N 0 0 284.350 2.634 20 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C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@H]1O ZINC001237617144 779144012 /nfs/dbraw/zinc/14/40/12/779144012.db2.gz LGLRCHHHYRUYMP-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237624111 779147551 /nfs/dbraw/zinc/14/75/51/779147551.db2.gz YRBATHNQVOCXTA-CYBMUJFWSA-N 0 0 298.789 2.853 20 10 CFCDRN Cc1cc(O)c(CN2CCCCO2)cc1Br ZINC001237678128 779160005 /nfs/dbraw/zinc/16/00/05/779160005.db2.gz UPKYGVBBSXHBRL-UHFFFAOYSA-N 0 0 286.169 2.991 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001237690444 779162567 /nfs/dbraw/zinc/16/25/67/779162567.db2.gz XSYGBUGQVGUSCB-CQSZACIVSA-N 0 0 267.756 2.719 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001237807512 779184083 /nfs/dbraw/zinc/18/40/83/779184083.db2.gz KYFAAEPVMKWUOH-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@H]1O ZINC001237809012 779186083 /nfs/dbraw/zinc/18/60/83/779186083.db2.gz YNPCWTFKIXWGBK-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN CC[N@H+](CCC(=O)OC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941269 779210818 /nfs/dbraw/zinc/21/08/18/779210818.db2.gz UPAYGDWUPBKNAT-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237936355 779211441 /nfs/dbraw/zinc/21/14/41/779211441.db2.gz JARSPLRLMHXZOP-GFCCVEGCSA-N 0 0 298.789 2.855 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOC[C@@H]1C1CC1 ZINC001237940343 779211549 /nfs/dbraw/zinc/21/15/49/779211549.db2.gz JQUTTXHSZJFGGJ-CYBMUJFWSA-N 0 0 285.746 2.796 20 10 CFCDRN C[N@H+](Cc1cc(F)c(Cl)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC001237935215 779212095 /nfs/dbraw/zinc/21/20/95/779212095.db2.gz RODFNJQMGVCKCZ-XYPYZODXSA-N 0 0 287.762 2.920 20 10 CFCDRN CC[C@@H]1COCCN1Cc1cc(F)c(Cl)cc1O ZINC001237949447 779214900 /nfs/dbraw/zinc/21/49/00/779214900.db2.gz LZCDBRLGYDIOHP-SNVBAGLBSA-N 0 0 273.735 2.796 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC001238055779 779241049 /nfs/dbraw/zinc/24/10/49/779241049.db2.gz 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CFCDRN CNC(=O)c1cc(-c2ccc3ccn(C)c3c2)cnc1F ZINC001240577495 780268836 /nfs/dbraw/zinc/26/88/36/780268836.db2.gz WELFUYDAFAKWHH-UHFFFAOYSA-N 0 0 283.306 2.739 20 10 CFCDRN CC(C)(C)c1cccc(CN2CC(N3CC(F)C3)C2)c1O ZINC001143104224 780387686 /nfs/dbraw/zinc/38/76/86/780387686.db2.gz QWKKVGLRAWACAL-UHFFFAOYSA-N 0 0 292.398 2.528 20 10 CFCDRN COC(=O)c1cnc(-c2cccnc2C)c2ccn(C)c21 ZINC001240724050 780393301 /nfs/dbraw/zinc/39/33/01/780393301.db2.gz WPGUUJXSJVOSKM-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN CCO[C@H](C)n1cc(-c2cnc3ccn(C)c3c2)cn1 ZINC001240756794 780420509 /nfs/dbraw/zinc/42/05/09/780420509.db2.gz BCCZVOFHDFZVDP-LLVKDONJSA-N 0 0 270.336 2.992 20 10 CFCDRN COC(=O)c1cnc(-c2cncc(C)c2)c2ccn(C)c21 ZINC001240801684 780453902 /nfs/dbraw/zinc/45/39/02/780453902.db2.gz UWJLRKDMTUKSFA-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cc1cncc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001240803456 780455092 /nfs/dbraw/zinc/45/50/92/780455092.db2.gz IUKJXIBTSOUKSJ-UHFFFAOYSA-N 0 0 268.238 2.781 20 10 CFCDRN Cn1ccc(-c2ccc3nc(C(F)(F)F)cn3c2)cc1=O ZINC001240986811 780573931 /nfs/dbraw/zinc/57/39/31/780573931.db2.gz WEKQJYBFZVANLJ-UHFFFAOYSA-N 0 0 293.248 2.719 20 10 CFCDRN Cc1[nH]c2ncc(-c3ccn(C)c(=O)c3)cc2c1C ZINC001240991579 780577822 /nfs/dbraw/zinc/57/78/22/780577822.db2.gz MOANQOBPWUPDKC-UHFFFAOYSA-N 0 0 253.305 2.545 20 10 CFCDRN Cc1ncc(-c2ccn(C)c(=O)c2)c2ccccc12 ZINC001240998289 780581641 /nfs/dbraw/zinc/58/16/41/780581641.db2.gz QXVKIOVZAGAKOZ-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN O=C(/C=C\c1cccc(F)c1)NCc1ccccc1O ZINC000701168497 780772023 /nfs/dbraw/zinc/77/20/23/780772023.db2.gz BDYPSYWYLOLCRH-HJWRWDBZSA-N 0 0 271.291 2.861 20 10 CFCDRN CN(Cc1nc(C(C)(C)C)no1)c1ccc(N)cc1 ZINC000702092659 780878348 /nfs/dbraw/zinc/87/83/48/780878348.db2.gz KWPZYXQWJJELMV-UHFFFAOYSA-N 0 0 260.341 2.586 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CSCCS2)ccc(F)c1F ZINC000703276063 781001680 /nfs/dbraw/zinc/00/16/80/781001680.db2.gz PWRUHVRNUMBYMG-SECBINFHSA-N 0 0 291.388 2.609 20 10 CFCDRN C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703275032 781001764 /nfs/dbraw/zinc/00/17/64/781001764.db2.gz QFEBWNNCOKCOEA-XCBNKYQSSA-N 0 0 259.321 2.512 20 10 CFCDRN CC(C)(CCCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703254573 781004408 /nfs/dbraw/zinc/00/44/08/781004408.db2.gz BBAZQAZJEAXBCF-UHFFFAOYSA-N 0 0 273.323 2.559 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)ccc(F)c1F ZINC000703326579 781005720 /nfs/dbraw/zinc/00/57/20/781005720.db2.gz CYJGTDWQLPUZLE-QWRGUYRKSA-N 0 0 253.292 2.806 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703257718 781005741 /nfs/dbraw/zinc/00/57/41/781005741.db2.gz FDWWZIITKRKKEL-CLAHSXSESA-N 0 0 271.307 2.574 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC(F)(F)C2)ccc(F)c1F ZINC000703393769 781013653 /nfs/dbraw/zinc/01/36/53/781013653.db2.gz CSLZZFIYYWWPFQ-MRVPVSSYSA-N 0 0 263.234 2.948 20 10 CFCDRN CSc1ncc(-c2cnc3ccn(C)c3c2)cn1 ZINC001241630134 781031088 /nfs/dbraw/zinc/03/10/88/781031088.db2.gz MJQCSZKHFQIIBM-UHFFFAOYSA-N 0 0 256.334 2.752 20 10 CFCDRN CSc1ncc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001241631957 781033090 /nfs/dbraw/zinc/03/30/90/781033090.db2.gz RMBDGOWJKVRJMZ-UHFFFAOYSA-N 0 0 283.356 2.717 20 10 CFCDRN Cn1ccc2c1cccc2-c1cncc2c1CC(=O)N2 ZINC001241824494 781145679 /nfs/dbraw/zinc/14/56/79/781145679.db2.gz OJIBTMIKFAWSQW-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN CC(C)n1cc(-c2cccc3c2ccn3C)cnc1=O ZINC001241823987 781145698 /nfs/dbraw/zinc/14/56/98/781145698.db2.gz IGFXXLQJYUPNPZ-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN CCOC(=O)c1ncncc1-c1cccc2c1ccn2C ZINC001241824037 781145974 /nfs/dbraw/zinc/14/59/74/781145974.db2.gz IZMVXJVJDLOXPF-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN CCc1noc(C)c1C(=O)N(C)Cc1ccccc1O ZINC000706287139 781170776 /nfs/dbraw/zinc/17/07/76/781170776.db2.gz TVMSTAXAYOZTFZ-UHFFFAOYSA-N 0 0 274.320 2.523 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cnc(N)cc3C)cc2n1C ZINC001242085532 781271983 /nfs/dbraw/zinc/27/19/83/781271983.db2.gz VZKFVTRFRVKGOW-UHFFFAOYSA-N 0 0 295.342 2.918 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OCC ZINC000708393959 781271980 /nfs/dbraw/zinc/27/19/80/781271980.db2.gz MNNSAYBSRPWERM-GFCCVEGCSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393831 781272136 /nfs/dbraw/zinc/27/21/36/781272136.db2.gz JTNBCGLYBKKRSX-LOKDSWTASA-N 0 0 271.307 2.572 20 10 CFCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000708440613 781274456 /nfs/dbraw/zinc/27/44/56/781274456.db2.gz CXFYEWGLLGAMRS-STQMWFEESA-N 0 0 283.318 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000708453195 781275284 /nfs/dbraw/zinc/27/52/84/781275284.db2.gz FMLDXGDRYCNJRW-KBVBSXBZSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOCC1CCCC1 ZINC000708454308 781275397 /nfs/dbraw/zinc/27/53/97/781275397.db2.gz PELWHPIARRJUEF-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CCOCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708497228 781290781 /nfs/dbraw/zinc/29/07/81/781290781.db2.gz QBRGYRFIXGDVDC-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN C[C@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708487453 781290871 /nfs/dbraw/zinc/29/08/71/781290871.db2.gz XQLCJYNVCVWDRZ-SECBINFHSA-N 0 0 267.275 2.984 20 10 CFCDRN CO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1(C)C ZINC000708515940 781291448 /nfs/dbraw/zinc/29/14/48/781291448.db2.gz ALHPDIYEAQLECZ-RYUDHWBXSA-N 0 0 271.307 2.574 20 10 CFCDRN CC1(C)SC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708518052 781292595 /nfs/dbraw/zinc/29/25/95/781292595.db2.gz YVGMMUWPPHMRCK-SNVBAGLBSA-N 0 0 259.321 2.654 20 10 CFCDRN CCn1ccc(-c2ccc(OCC3CC3)nc2)cc1=O ZINC001242215056 781331568 /nfs/dbraw/zinc/33/15/68/781331568.db2.gz FEZQNEVHIIQXKF-UHFFFAOYSA-N 0 0 270.332 2.719 20 10 CFCDRN COCc1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000695014480 781367518 /nfs/dbraw/zinc/36/75/18/781367518.db2.gz NPFMQOXJSVIZCG-UHFFFAOYSA-N 0 0 263.366 2.508 20 10 CFCDRN CC(=O)c1ccc(-c2ccnc3c2ccn3C)cn1 ZINC001242402404 781468296 /nfs/dbraw/zinc/46/82/96/781468296.db2.gz ZJRGYMSGAHVUNS-UHFFFAOYSA-N 0 0 251.289 2.838 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cnc(C)c(N)c3)cc2n1C ZINC001242410418 781474777 /nfs/dbraw/zinc/47/47/77/781474777.db2.gz DFBSDFJOVQAYNL-UHFFFAOYSA-N 0 0 295.342 2.918 20 10 CFCDRN COc1ncc(-c2cnc3ccn(C)c3c2)cc1C ZINC001242432508 781497921 /nfs/dbraw/zinc/49/79/21/781497921.db2.gz UDAFSJIEQDQNQB-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN CCc1ncccc1-c1nnc(C)cc1-c1nccn1C ZINC001242522390 781563180 /nfs/dbraw/zinc/56/31/80/781563180.db2.gz ZDYAXTHLUVWVGH-UHFFFAOYSA-N 0 0 279.347 2.810 20 10 CFCDRN O=c1cc(-c2c[nH]c3ncccc23)ccn1CC1CC1 ZINC001242863793 781808583 /nfs/dbraw/zinc/80/85/83/781808583.db2.gz LAMQTZSIQUEQSL-UHFFFAOYSA-N 0 0 265.316 2.802 20 10 CFCDRN COc1ccc(-c2nc(C)nc3c2ccn3C)c(C)n1 ZINC001242927081 781848255 /nfs/dbraw/zinc/84/82/55/781848255.db2.gz SLACYBFWFWGGRC-UHFFFAOYSA-N 0 0 268.320 2.656 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn3ccccc23)cc1=O ZINC001242965139 781884777 /nfs/dbraw/zinc/88/47/77/781884777.db2.gz HCAWYWONJAEERS-UHFFFAOYSA-N 0 0 267.332 2.819 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000295113366 199351795 /nfs/dbraw/zinc/35/17/95/199351795.db2.gz XPFMHXBQDXDWKP-TVQRCGJNSA-N 0 0 255.333 2.731 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 ZINC000018215120 346241054 /nfs/dbraw/zinc/24/10/54/346241054.db2.gz TZLVPTBTRNYIJF-UHFFFAOYSA-N 0 0 297.402 2.749 20 10 CFCDRN CC(C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726634 346296328 /nfs/dbraw/zinc/29/63/28/346296328.db2.gz CURZBXYWDQTHGN-UHFFFAOYSA-N 0 0 263.385 2.598 20 10 CFCDRN Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2)oc1C ZINC000065770890 346740521 /nfs/dbraw/zinc/74/05/21/346740521.db2.gz BFKGCXGCDDBSHP-UHFFFAOYSA-N 0 0 288.351 2.679 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCCOCC ZINC000066096315 346747606 /nfs/dbraw/zinc/74/76/06/346747606.db2.gz GCGIJVSIAAPMQE-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN O=C(CSc1nccs1)N1CCCCCC1 ZINC000076404895 347138320 /nfs/dbraw/zinc/13/83/20/347138320.db2.gz VQMVIMLAUVIIKU-UHFFFAOYSA-N 0 0 256.396 2.638 20 10 CFCDRN COC(=O)CC[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000271815347 291022759 /nfs/dbraw/zinc/02/27/59/291022759.db2.gz MNWHSFFVNZZGKV-UHFFFAOYSA-N 0 0 285.771 2.819 20 10 CFCDRN CC1CC(NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000268056978 540094982 /nfs/dbraw/zinc/09/49/82/540094982.db2.gz RXCHBERSWMDAKF-UHFFFAOYSA-N 0 0 285.391 2.661 20 10 CFCDRN C[C@H]([NH2+]C1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273474335 299273667 /nfs/dbraw/zinc/27/36/67/299273667.db2.gz KLKPEVDFPURALE-VIFPVBQESA-N 0 0 282.365 2.847 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCO)C1CCCC1 ZINC000294802836 199190137 /nfs/dbraw/zinc/19/01/37/199190137.db2.gz DKZZPCHQPCJRHQ-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000297163870 200102275 /nfs/dbraw/zinc/10/22/75/200102275.db2.gz DAMHPPFHXILPBH-MNOVXSKESA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000297079931 200079656 /nfs/dbraw/zinc/07/96/56/200079656.db2.gz DCQWOHLDCUMMBK-UONOGXRCSA-N 0 0 285.391 2.613 20 10 CFCDRN COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000297250656 200125611 /nfs/dbraw/zinc/12/56/11/200125611.db2.gz JHFNWPLQGSBYTJ-NSHDSACASA-N 0 0 294.351 2.910 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000276904256 299303288 /nfs/dbraw/zinc/30/32/88/299303288.db2.gz JPQHIDLJFFRPNQ-GZMMTYOYSA-N 0 0 273.323 2.728 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000224543871 540735186 /nfs/dbraw/zinc/73/51/86/540735186.db2.gz NEQKHSACOHCNNL-KBPBESRZSA-N 0 0 280.799 2.762 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000187702284 299313789 /nfs/dbraw/zinc/31/37/89/299313789.db2.gz AZRFBKPUWGICFY-UWVGGRQHSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@@H](NCC(F)(F)CO)c1ccc2ccccc2c1O ZINC000184703859 296117353 /nfs/dbraw/zinc/11/73/53/296117353.db2.gz YQIALYKBQMTLBX-SNVBAGLBSA-N 0 0 281.302 2.824 20 10 CFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn[nH]c1 ZINC000676866777 541800151 /nfs/dbraw/zinc/80/01/51/541800151.db2.gz YJBPLHPHQMCTGJ-VZUCSPMQSA-N 0 0 298.371 2.742 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480144 296163000 /nfs/dbraw/zinc/16/30/00/296163000.db2.gz LXCYLJPESGOVOU-MNOVXSKESA-N 0 0 280.324 2.520 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273451800 299424519 /nfs/dbraw/zinc/42/45/19/299424519.db2.gz GEVXWJSGVLEDQX-QWRGUYRKSA-N 0 0 294.351 2.909 20 10 CFCDRN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000296350995 284305771 /nfs/dbraw/zinc/30/57/71/284305771.db2.gz IHLAMIMQNBXXKK-NHYWBVRUSA-N 0 0 296.386 2.685 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000062747411 373765465 /nfs/dbraw/zinc/76/54/65/373765465.db2.gz LJUUPMKTDVXCRG-YGRLFVJLSA-N 0 0 289.354 2.993 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnccc2C)nc1 ZINC000493080001 246480998 /nfs/dbraw/zinc/48/09/98/246480998.db2.gz DWLNSNCECKMHMM-ALCCZGGFSA-N 0 0 267.332 2.770 20 10 CFCDRN CCN(C(=O)/C=C\c1cncs1)c1ncccc1C ZINC000493728490 246685208 /nfs/dbraw/zinc/68/52/08/246685208.db2.gz RUXWMQLRFYWCTP-SREVYHEPSA-N 0 0 273.361 2.913 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2ccc(F)cc21 ZINC000493753669 246692112 /nfs/dbraw/zinc/69/21/12/246692112.db2.gz MNOKOUPKSLVLHL-ZZXKWVIFSA-N 0 0 268.291 2.823 20 10 CFCDRN CCN(CC)c1ccc(CN(C)Cc2cnccn2)cc1 ZINC000092591730 375128273 /nfs/dbraw/zinc/12/82/73/375128273.db2.gz GZRHYQIWJFKANL-UHFFFAOYSA-N 0 0 284.407 2.955 20 10 CFCDRN CN(C)C1(C[N@H+](C)Cc2cccc(Cl)c2[O-])CCC1 ZINC000097934097 375587835 /nfs/dbraw/zinc/58/78/35/375587835.db2.gz RVDGRYOOZPXJIJ-UHFFFAOYSA-N 0 0 282.815 2.962 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccnc1 ZINC000111593004 375856931 /nfs/dbraw/zinc/85/69/31/375856931.db2.gz DCDZTOLYPFEXPX-UHFFFAOYSA-N 0 0 284.359 2.769 20 10 CFCDRN Cn1cncc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001243066398 781966699 /nfs/dbraw/zinc/96/66/99/781966699.db2.gz DSFYKPGUNKILAG-UHFFFAOYSA-N 0 0 277.331 2.571 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000125143904 377121041 /nfs/dbraw/zinc/12/10/41/377121041.db2.gz NTOODMADOBRFAA-CYBMUJFWSA-N 0 0 251.395 2.946 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000124561486 377062311 /nfs/dbraw/zinc/06/23/11/377062311.db2.gz RVBGKHPLQYXVPZ-STQMWFEESA-N 0 0 267.756 2.799 20 10 CFCDRN CCOCC[N@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000124575367 377065229 /nfs/dbraw/zinc/06/52/29/377065229.db2.gz OMSFENCYKRPVSV-UHFFFAOYSA-N 0 0 257.761 2.904 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000126269941 377219009 /nfs/dbraw/zinc/21/90/09/377219009.db2.gz QGDHUQFGVXWHQZ-WCQYABFASA-N 0 0 275.348 2.893 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000126458637 377227636 /nfs/dbraw/zinc/22/76/36/377227636.db2.gz DONPDOWPLQHJRB-MRVPVSSYSA-N 0 0 289.253 2.512 20 10 CFCDRN CC[C@H](C)CN(CC)C(=O)c1cccc(O)c1O ZINC000126476412 377230761 /nfs/dbraw/zinc/23/07/61/377230761.db2.gz PMGSAMWTJXCZOB-JTQLQIEISA-N 0 0 251.326 2.606 20 10 CFCDRN COc1cc(N(C)CCCF)cc(OC)c1OC ZINC000133551161 377940459 /nfs/dbraw/zinc/94/04/59/377940459.db2.gz FQNFEXNFDPFQOT-UHFFFAOYSA-N 0 0 257.305 2.508 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000135270863 378108082 /nfs/dbraw/zinc/10/80/82/378108082.db2.gz VLHKXIZHYPEUNC-UHFFFAOYSA-N 0 0 265.328 2.966 20 10 CFCDRN Nc1ccc(CC(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000152196723 378402848 /nfs/dbraw/zinc/40/28/48/378402848.db2.gz FKROGRPKWREAMC-ZNMIVQPWSA-N 0 0 272.392 2.754 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCCc2cccc(O)c21 ZINC000155676334 378630709 /nfs/dbraw/zinc/63/07/09/378630709.db2.gz SFBPTPATHVSVCL-CMDGGOBGSA-N 0 0 280.327 2.780 20 10 CFCDRN CC(=O)c1cc(F)cc(Cn2cnc(C)c2C)c1O ZINC000177278816 380326076 /nfs/dbraw/zinc/32/60/76/380326076.db2.gz ZBHKVRRKQXMPEH-UHFFFAOYSA-N 0 0 262.284 2.596 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000178113778 380410887 /nfs/dbraw/zinc/41/08/87/380410887.db2.gz TXMMMTBYKZLCJP-GOSISDBHSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000178113792 380410991 /nfs/dbraw/zinc/41/09/91/380410991.db2.gz TXMMMTBYKZLCJP-SFHVURJKSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)n1 ZINC000178153231 380415524 /nfs/dbraw/zinc/41/55/24/380415524.db2.gz XFAJVCGHDFBMCF-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN CC(C)n1ccc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000178882114 380491541 /nfs/dbraw/zinc/49/15/41/380491541.db2.gz PHHHTPZQVJAPON-UHFFFAOYSA-N 0 0 273.336 2.829 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(OC)n2)c(OC)c1 ZINC000179001618 380500746 /nfs/dbraw/zinc/50/07/46/380500746.db2.gz IXZGJVMIYZPVEA-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)c(O)c1O ZINC000179415824 380541608 /nfs/dbraw/zinc/54/16/08/380541608.db2.gz GAOIKLBGUIVNSB-GFCCVEGCSA-N 0 0 287.315 2.807 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179749798 380576407 /nfs/dbraw/zinc/57/64/07/380576407.db2.gz BAWMWIDPAWWETD-LLVKDONJSA-N 0 0 255.745 2.656 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CC[NH+](CC2CC2)CC1 ZINC000179754082 380576763 /nfs/dbraw/zinc/57/67/63/380576763.db2.gz ASKVLHKXHJFWDN-UHFFFAOYSA-N 0 0 280.799 2.573 20 10 CFCDRN COC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180199276 380632592 /nfs/dbraw/zinc/63/25/92/380632592.db2.gz NLVXRQBHOUGLSL-NSHDSACASA-N 0 0 269.772 2.904 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000180011462 380609618 /nfs/dbraw/zinc/60/96/18/380609618.db2.gz MKBNWZYPCZLUIC-UHFFFAOYSA-N 0 0 297.782 2.631 20 10 CFCDRN CCOC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180158947 380626526 /nfs/dbraw/zinc/62/65/26/380626526.db2.gz BJFOCRIEHDGYNN-GFCCVEGCSA-N 0 0 267.344 2.780 20 10 CFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180584321 380679080 /nfs/dbraw/zinc/67/90/80/380679080.db2.gz JUNMNCUSBZLRJJ-WBIIUDBISA-N 0 0 275.348 2.616 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180976018 380719671 /nfs/dbraw/zinc/71/96/71/380719671.db2.gz SMACGFZTTJKCKA-SIPGATMPSA-N 0 0 263.337 2.662 20 10 CFCDRN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181040300 380728766 /nfs/dbraw/zinc/72/87/66/380728766.db2.gz OXYBIHZPAJYUDR-SBDFBNMLSA-N 0 0 275.348 2.901 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccncc1 ZINC000181131392 380745165 /nfs/dbraw/zinc/74/51/65/380745165.db2.gz KVPYNPHRMKGMAH-UHFFFAOYSA-N 0 0 269.348 2.547 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC12CCCCC2 ZINC000181307630 380773135 /nfs/dbraw/zinc/77/31/35/380773135.db2.gz DOIUTSZJUVJPMF-ZKKXHLJNSA-N 0 0 287.359 2.950 20 10 CFCDRN CCCOc1ccc(CNc2nncs2)c(O)c1 ZINC000181452692 380795867 /nfs/dbraw/zinc/79/58/67/380795867.db2.gz RGGQZNSEQVWODU-UHFFFAOYSA-N 0 0 265.338 2.645 20 10 CFCDRN CCCc1nnc(NCc2cc(C)c(C)cc2O)o1 ZINC000181686826 380864026 /nfs/dbraw/zinc/86/40/26/380864026.db2.gz LZQAWJZQQBYZEK-UHFFFAOYSA-N 0 0 261.325 2.957 20 10 CFCDRN COC(=O)c1cnc(S[C@H]2CCC[C@H]2OC)s1 ZINC000295409175 380834482 /nfs/dbraw/zinc/83/44/82/380834482.db2.gz XFUMERCZOVXAEM-SFYZADRCSA-N 0 0 273.379 2.589 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)CO1 ZINC000295433782 380853045 /nfs/dbraw/zinc/85/30/45/380853045.db2.gz TXKLSPZJNBAWIF-RKDXNWHRSA-N 0 0 273.735 2.794 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287526719 380856104 /nfs/dbraw/zinc/85/61/04/380856104.db2.gz OSVXZMKYRFIWQA-SRVKXCTJSA-N 0 0 267.344 2.855 20 10 CFCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000181831920 380907881 /nfs/dbraw/zinc/90/78/81/380907881.db2.gz SAJFFBNIPHPTSB-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN Cc1ccc(C(=O)N2CCCCCCC2)c(O)c1O ZINC000181827654 380908024 /nfs/dbraw/zinc/90/80/24/380908024.db2.gz JYKDTCGMHHZNIG-UHFFFAOYSA-N 0 0 263.337 2.813 20 10 CFCDRN COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000182064667 380980881 /nfs/dbraw/zinc/98/08/81/380980881.db2.gz GSFPBECAMGSXQX-LBPRGKRZSA-N 0 0 272.348 2.989 20 10 CFCDRN COc1cccc(CNCc2noc3c2CCCC3)c1O ZINC000288505179 381013906 /nfs/dbraw/zinc/01/39/06/381013906.db2.gz SJDDNTFICATVJP-UHFFFAOYSA-N 0 0 288.347 2.557 20 10 CFCDRN CC(F)(F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000289130934 381026238 /nfs/dbraw/zinc/02/62/38/381026238.db2.gz GFWPIIFHEBOVSM-UHFFFAOYSA-N 0 0 269.291 2.542 20 10 CFCDRN CSc1ccc(CSCC(=O)C(C)=O)cc1 ZINC000288035431 380996601 /nfs/dbraw/zinc/99/66/01/380996601.db2.gz ATJBOVNZMPKPAM-UHFFFAOYSA-N 0 0 254.376 2.800 20 10 CFCDRN Cc1csc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000295667704 381006194 /nfs/dbraw/zinc/00/61/94/381006194.db2.gz FQXFZNSYXWBRFP-JTQLQIEISA-N 0 0 291.372 2.829 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ocnc1C1CC1 ZINC000289361323 381033432 /nfs/dbraw/zinc/03/34/32/381033432.db2.gz YTOLSYBAVYDQEI-UHFFFAOYSA-N 0 0 272.304 2.530 20 10 CFCDRN Cc1ccc(C(=O)N2CCC3(CCCC3)C2)c(O)c1O ZINC000182526150 381107105 /nfs/dbraw/zinc/10/71/05/381107105.db2.gz CABLEBOHDHKOQN-UHFFFAOYSA-N 0 0 275.348 2.813 20 10 CFCDRN COc1ccc(N(CC2OCCO2)[C@H](C)C2CC2)cc1 ZINC000182653043 381128478 /nfs/dbraw/zinc/12/84/78/381128478.db2.gz LIPLIYYLGAUPAZ-GFCCVEGCSA-N 0 0 277.364 2.673 20 10 CFCDRN CCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183437085 381271168 /nfs/dbraw/zinc/27/11/68/381271168.db2.gz FRJJDNCMUSIHKZ-LLVKDONJSA-N 0 0 265.353 2.725 20 10 CFCDRN CC(C)[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183421000 381268753 /nfs/dbraw/zinc/26/87/53/381268753.db2.gz CROIFYXSKJGAIA-VXGBXAGGSA-N 0 0 279.380 2.827 20 10 CFCDRN CC[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291574 381249747 /nfs/dbraw/zinc/24/97/47/381249747.db2.gz PONMUHYMENEWMM-JSGCOSHPSA-N 0 0 277.364 2.556 20 10 CFCDRN CCOc1ccc(O)c(C[N@H+](C)CCc2ccncc2)c1 ZINC000183757965 381314944 /nfs/dbraw/zinc/31/49/44/381314944.db2.gz DKEDDWFXIYVDGZ-UHFFFAOYSA-N 0 0 286.375 2.860 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](O)[C@H]2C)c1O ZINC000296374073 381368290 /nfs/dbraw/zinc/36/82/90/381368290.db2.gz STACGRWTQBGMGH-YMTOWFKASA-N 0 0 297.782 2.593 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@H](C)[C@H]2C)c1O ZINC000184694260 381463320 /nfs/dbraw/zinc/46/33/20/381463320.db2.gz FTNALIUTKIMRFU-NXEZZACHSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(Cl)cc(CN2CCOCC23CCC3)c1O ZINC000184695955 381463393 /nfs/dbraw/zinc/46/33/93/381463393.db2.gz VUYOJDUHPOKPFO-UHFFFAOYSA-N 0 0 297.782 2.809 20 10 CFCDRN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000184701208 381463693 /nfs/dbraw/zinc/46/36/93/381463693.db2.gz PFNAGVVCXGATGN-JTQLQIEISA-N 0 0 285.771 2.523 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CC2 ZINC000297144848 381553630 /nfs/dbraw/zinc/55/36/30/381553630.db2.gz ZRLPZHHHYPYUFT-CABCVRRESA-N 0 0 295.386 2.643 20 10 CFCDRN CC[C@@H](C)Oc1cc(C(=O)NCc2ccc(N)cc2)ccn1 ZINC000297245607 381554862 /nfs/dbraw/zinc/55/48/62/381554862.db2.gz QFNKFCAIKZSHRQ-GFCCVEGCSA-N 0 0 299.374 2.771 20 10 CFCDRN CSC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611052 295611416 /nfs/dbraw/zinc/61/14/16/295611416.db2.gz VWPBJVLDJXVJBI-BDAKNGLRSA-N 0 0 270.354 2.703 20 10 CFCDRN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185438624 381632596 /nfs/dbraw/zinc/63/25/96/381632596.db2.gz UTSIAPFQFIGBPM-BFVZDQMLSA-N 0 0 255.333 2.589 20 10 CFCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298685356 381712179 /nfs/dbraw/zinc/71/21/79/381712179.db2.gz BHGBWCNSSMIEQK-UHFFFAOYSA-N 0 0 288.395 2.855 20 10 CFCDRN CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299067627 381812116 /nfs/dbraw/zinc/81/21/16/381812116.db2.gz UNMAPOPUONQBTI-UHFFFAOYSA-N 0 0 287.363 2.687 20 10 CFCDRN C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC000292865142 381872754 /nfs/dbraw/zinc/87/27/54/381872754.db2.gz VRSOUTMLYOPBFF-HNNXBMFYSA-N 0 0 280.799 2.573 20 10 CFCDRN Oc1ccccc1CN1CCOC[C@@H]1c1ccco1 ZINC000373126406 381932902 /nfs/dbraw/zinc/93/29/02/381932902.db2.gz UVPDULSFVKRZNL-CYBMUJFWSA-N 0 0 259.305 2.559 20 10 CFCDRN CSCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186960287 382058220 /nfs/dbraw/zinc/05/82/20/382058220.db2.gz RWGIMDXVFDGJOG-SOFGYWHQSA-N 0 0 295.404 2.761 20 10 CFCDRN CCC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000293575712 382181006 /nfs/dbraw/zinc/18/10/06/382181006.db2.gz DXYACKDNMUTSMP-CMPLNLGQSA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293571938 382181406 /nfs/dbraw/zinc/18/14/06/382181406.db2.gz IZXUCVJSASMZTQ-AWEZNQCLSA-N 0 0 299.729 2.775 20 10 CFCDRN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc(F)c1[O-] ZINC000376536028 382141008 /nfs/dbraw/zinc/14/10/08/382141008.db2.gz SKLTUMQUKGLERH-CQSZACIVSA-N 0 0 289.354 2.774 20 10 CFCDRN Nc1ccc(CC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000376694437 382165246 /nfs/dbraw/zinc/16/52/46/382165246.db2.gz HJGSEYORDVCYFC-UHFFFAOYSA-N 0 0 294.314 2.500 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncc(F)cn1 ZINC000301778805 382192978 /nfs/dbraw/zinc/19/29/78/382192978.db2.gz MKOMJQUUVSFQTI-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@@H]1[N@H+](Cc2cccc(F)c2[O-])CCC12CCOCC2 ZINC000363870659 382249285 /nfs/dbraw/zinc/24/92/85/382249285.db2.gz WNSSYJREYHQRTP-LBPRGKRZSA-N 0 0 279.355 2.922 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187729225 382258095 /nfs/dbraw/zinc/25/80/95/382258095.db2.gz XRSJLNKCMHSPCC-BREBYQMCSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(F)cc1[O-] ZINC000188036090 382330614 /nfs/dbraw/zinc/33/06/14/382330614.db2.gz HTJNDDJQPPZGNI-JTNHKYCSSA-N 0 0 267.344 2.733 20 10 CFCDRN Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1 ZINC000346600366 382431729 /nfs/dbraw/zinc/43/17/29/382431729.db2.gz GHMWCYVEQBZXLL-UHFFFAOYSA-N 0 0 291.358 2.955 20 10 CFCDRN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294094656 382412046 /nfs/dbraw/zinc/41/20/46/382412046.db2.gz ZWFKOSOPWZGCDG-LLVKDONJSA-N 0 0 298.814 2.688 20 10 CFCDRN Oc1ccc(F)cc1CN[C@@H]1COc2cccc(F)c21 ZINC000378632269 382495610 /nfs/dbraw/zinc/49/56/10/382495610.db2.gz LGTRLBZAHKJCQW-GFCCVEGCSA-N 0 0 277.270 2.894 20 10 CFCDRN Cc1ccc([N+](=O)[O-])c(N2CC=C(c3cccnc3)CC2)n1 ZINC000378613532 382491188 /nfs/dbraw/zinc/49/11/88/382491188.db2.gz ZKLAYGNKVMOWJU-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN CCN(C)C(=O)COc1ccc2c(c1)c(C)c(C)n2C ZINC000421197451 382509534 /nfs/dbraw/zinc/50/95/34/382509534.db2.gz KISXRYQTUPWYEK-UHFFFAOYSA-N 0 0 274.364 2.652 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCC(F)F ZINC000294545780 382516246 /nfs/dbraw/zinc/51/62/46/382516246.db2.gz DYPGKMIMOKLNDM-UHFFFAOYSA-N 0 0 283.677 2.556 20 10 CFCDRN CS[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295061138 382571551 /nfs/dbraw/zinc/57/15/51/382571551.db2.gz OISMVACOKYGSGC-SNVBAGLBSA-N 0 0 257.786 2.983 20 10 CFCDRN CC(C)=CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000190549219 382672958 /nfs/dbraw/zinc/67/29/58/382672958.db2.gz QBPKIPWOZZEBJZ-UHFFFAOYSA-N 0 0 261.369 2.518 20 10 CFCDRN COc1ccc(N2CCN(Cc3cncc(C)c3)CC2)cc1 ZINC000189757494 382639840 /nfs/dbraw/zinc/63/98/40/382639840.db2.gz VQQUGAPPMPGNRZ-UHFFFAOYSA-N 0 0 297.402 2.721 20 10 CFCDRN COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000237226568 382954036 /nfs/dbraw/zinc/95/40/36/382954036.db2.gz JDELSRBEAKSNSD-UHFFFAOYSA-N 0 0 298.386 2.829 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccnc2N(C)C)c1 ZINC000255012530 383474287 /nfs/dbraw/zinc/47/42/87/383474287.db2.gz IKHDOBWWTXVRSY-FPLPWBNLSA-N 0 0 296.374 2.527 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3cccc(F)c32)c1 ZINC000255549915 383484534 /nfs/dbraw/zinc/48/45/34/383484534.db2.gz LLUKWCOSOICKMI-WAYWQWQTSA-N 0 0 298.317 2.968 20 10 CFCDRN CCN(Cc1nc([C@@H](C)OC)no1)c1ccc(OC)cc1 ZINC000267010944 384278857 /nfs/dbraw/zinc/27/88/57/384278857.db2.gz MJMZMZRCGONOCA-LLVKDONJSA-N 0 0 291.351 2.812 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)CCCOC(C)C)c1O ZINC000267460333 384395774 /nfs/dbraw/zinc/39/57/74/384395774.db2.gz RLJVCCYVTNHOCD-UHFFFAOYSA-N 0 0 297.370 2.981 20 10 CFCDRN CCOc1ccc(N(CC)CC[C@H]2CCOC2=O)cc1 ZINC000268017695 384510850 /nfs/dbraw/zinc/51/08/50/384510850.db2.gz WETNQUNHJKBPJS-ZDUSSCGKSA-N 0 0 277.364 2.865 20 10 CFCDRN CCN(CCC1OCCCO1)c1ccc(OC)c(OC)c1 ZINC000267916472 384489009 /nfs/dbraw/zinc/48/90/09/384489009.db2.gz HSCIILLSGVMCAR-UHFFFAOYSA-N 0 0 295.379 2.683 20 10 CFCDRN COc1ccc(N(C)CCC2OCCCO2)cc1Cl ZINC000268162212 384550557 /nfs/dbraw/zinc/55/05/57/384550557.db2.gz JSDKGNXJEBDWSU-UHFFFAOYSA-N 0 0 285.771 2.938 20 10 CFCDRN COc1ccc(N(C[C@@H](O)COC(C)C)C(C)C)cc1F ZINC000269055767 384718927 /nfs/dbraw/zinc/71/89/27/384718927.db2.gz WRBJTEXPTBAJPO-CQSZACIVSA-N 0 0 299.386 2.835 20 10 CFCDRN Cc1cccc(C2(C(=O)NCCc3ccc(N)cc3)CC2)c1 ZINC000269146915 384729680 /nfs/dbraw/zinc/72/96/80/384729680.db2.gz GLOUZMZLNIZXEM-UHFFFAOYSA-N 0 0 294.398 2.968 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N2CCNCc3ccccc32)s1 ZINC000269170623 384732468 /nfs/dbraw/zinc/73/24/68/384732468.db2.gz IAYAAUQJFOADBX-VOTSOKGWSA-N 0 0 299.399 2.601 20 10 CFCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1ccc(N)cc1 ZINC000269256139 384741010 /nfs/dbraw/zinc/74/10/10/384741010.db2.gz OZGJUMTUBXYTHU-KRWDZBQOSA-N 0 0 280.371 2.923 20 10 CFCDRN CN(C)c1ccc(CN(c2ncc(F)cn2)C2CC2)cc1 ZINC000269533623 384780700 /nfs/dbraw/zinc/78/07/00/384780700.db2.gz ZGHOVCGKTHSBBX-UHFFFAOYSA-N 0 0 286.354 2.851 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCO ZINC000269737796 384856941 /nfs/dbraw/zinc/85/69/41/384856941.db2.gz XVWKRVKLIBAPFJ-SNVBAGLBSA-N 0 0 292.404 2.656 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1cccc(OC)c1 ZINC000270115362 384983567 /nfs/dbraw/zinc/98/35/67/384983567.db2.gz INHLZNNIAMHHSA-MDZDMXLPSA-N 0 0 299.374 2.803 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)cc2)nc1C ZINC000270735875 385209936 /nfs/dbraw/zinc/20/99/36/385209936.db2.gz WEKBBGIBLMHXEM-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN CCc1cccnc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000270812915 385235013 /nfs/dbraw/zinc/23/50/13/385235013.db2.gz DUWKERCSMDOOOU-UHFFFAOYSA-N 0 0 283.375 2.640 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C(F)F ZINC000282406822 385304043 /nfs/dbraw/zinc/30/40/43/385304043.db2.gz FQWNMUAVKPTCLE-UHFFFAOYSA-N 0 0 257.280 2.786 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1nccn2cnnc12 ZINC000282310599 385281179 /nfs/dbraw/zinc/28/11/79/385281179.db2.gz SIXNCEYTYYKSJE-UHFFFAOYSA-N 0 0 297.362 2.637 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282390055 385299830 /nfs/dbraw/zinc/29/98/30/385299830.db2.gz RCUUKPCZMPFTOP-OCCSQVGLSA-N 0 0 279.380 2.790 20 10 CFCDRN CCCN(Cc1nnc(C)s1)Cc1ccccc1O ZINC000271467214 385382531 /nfs/dbraw/zinc/38/25/31/385382531.db2.gz VHQOOEPIBUGHOQ-UHFFFAOYSA-N 0 0 277.393 2.964 20 10 CFCDRN COc1ccc(CNC(C)(C)c2nc(C)no2)cc1C ZINC000283944803 385516224 /nfs/dbraw/zinc/51/62/24/385516224.db2.gz JVVJOCVRGPDXAM-UHFFFAOYSA-N 0 0 275.352 2.720 20 10 CFCDRN CO[C@@H](C)c1nc(CNCc2cc(F)ccc2O)cs1 ZINC000272480863 385549262 /nfs/dbraw/zinc/54/92/62/385549262.db2.gz SQHZWJBWQZLEDU-VIFPVBQESA-N 0 0 296.367 2.985 20 10 CFCDRN CCOCCOC1CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000272398344 385527897 /nfs/dbraw/zinc/52/78/97/385527897.db2.gz IOVNOLMWJBAKSN-UHFFFAOYSA-N 0 0 299.798 2.591 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1[O-] ZINC000285680869 385557033 /nfs/dbraw/zinc/55/70/33/385557033.db2.gz NWDFHXHJQDDOIZ-DOMZBBRYSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1ccc(F)cc1[O-] ZINC000286031055 385559697 /nfs/dbraw/zinc/55/96/97/385559697.db2.gz JGDXLVQXLDQQMC-JXBWDGJFSA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(F)cc1[O-] ZINC000286190804 385569344 /nfs/dbraw/zinc/56/93/44/385569344.db2.gz RHJCJLPOTHBLNH-TZMCWYRMSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000286250821 385577916 /nfs/dbraw/zinc/57/79/16/385577916.db2.gz UIPPHDFIVRVIMG-MFKMUULPSA-N 0 0 255.333 2.997 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c(O)c1O ZINC000272804602 385619755 /nfs/dbraw/zinc/61/97/55/385619755.db2.gz ZCIXODIZRIMYKX-MWLCHTKSSA-N 0 0 263.337 2.667 20 10 CFCDRN C[C@H]([NH2+]C1CC(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273351675 385679426 /nfs/dbraw/zinc/67/94/26/385679426.db2.gz BSZBKRGWQKDQEG-KYHHOPLUSA-N 0 0 250.298 2.750 20 10 CFCDRN CC(C)OCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407607 385680491 /nfs/dbraw/zinc/68/04/91/385680491.db2.gz OUWZGRWCTRHQOD-LLVKDONJSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391880 385680743 /nfs/dbraw/zinc/68/07/43/385680743.db2.gz KVHRDXUVRDOQQP-RKDXNWHRSA-N 0 0 250.298 2.750 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391878 385680761 /nfs/dbraw/zinc/68/07/61/385680761.db2.gz KVHRDXUVRDOQQP-DTWKUNHWSA-N 0 0 250.298 2.750 20 10 CFCDRN COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273524602 385686658 /nfs/dbraw/zinc/68/66/58/385686658.db2.gz UYDXMPXVFZHEIT-LLVKDONJSA-N 0 0 294.351 2.768 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCSC)c1 ZINC000273553139 385688212 /nfs/dbraw/zinc/68/82/12/385688212.db2.gz GGXIXUSYKVOBGX-SNVBAGLBSA-N 0 0 283.393 2.583 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000273606682 385691230 /nfs/dbraw/zinc/69/12/30/385691230.db2.gz UHOFFLWYNFPWNJ-HZMBPMFUSA-N 0 0 282.340 2.622 20 10 CFCDRN CCc1nc(C)cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000286743247 385700510 /nfs/dbraw/zinc/70/05/10/385700510.db2.gz GJYTWFKJYAKNOO-JTQLQIEISA-N 0 0 287.363 2.802 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000276944167 386086834 /nfs/dbraw/zinc/08/68/34/386086834.db2.gz PYSSCLJBKCMRIB-YUMQZZPRSA-N 0 0 259.321 2.827 20 10 CFCDRN CC[C@H](C)N(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372447884 393450148 /nfs/dbraw/zinc/45/01/48/393450148.db2.gz UMLXMJPEYMPOKZ-LBPRGKRZSA-N 0 0 275.396 2.619 20 10 CFCDRN CN1CCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000372582964 393452644 /nfs/dbraw/zinc/45/26/44/393452644.db2.gz JFJGWXSFYLHVLL-UHFFFAOYSA-N 0 0 262.353 2.704 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCOC1 ZINC000374298943 393492666 /nfs/dbraw/zinc/49/26/66/393492666.db2.gz XXOIBRFQFWTFLE-CYBMUJFWSA-N 0 0 261.365 2.874 20 10 CFCDRN C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccccc1O ZINC000109771170 393879832 /nfs/dbraw/zinc/87/98/32/393879832.db2.gz WVPXDNSYPHVCKT-JTQLQIEISA-N 0 0 273.336 2.846 20 10 CFCDRN CCCC(O)(CCC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000119710446 393924004 /nfs/dbraw/zinc/92/40/04/393924004.db2.gz KUADQHWCSWICKY-UHFFFAOYSA-N 0 0 296.367 2.721 20 10 CFCDRN CCc1nc(CN(C)c2ccc(OC)c(Cl)c2)no1 ZINC000121860065 393961253 /nfs/dbraw/zinc/96/12/53/393961253.db2.gz VJMHMIJDRMFODM-UHFFFAOYSA-N 0 0 281.743 2.930 20 10 CFCDRN COC(=O)CCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121962804 393963310 /nfs/dbraw/zinc/96/33/10/393963310.db2.gz OGSMLTBOCUTKBX-UHFFFAOYSA-N 0 0 271.744 2.738 20 10 CFCDRN O=C(/C=C/c1cncc(O)c1)N1CCc2cc(F)ccc21 ZINC000492767039 394076196 /nfs/dbraw/zinc/07/61/96/394076196.db2.gz NAIMHSCFLHXZHM-DAFODLJHSA-N 0 0 284.290 2.529 20 10 CFCDRN CN(C(=O)C=Cc1c[nH]cn1)c1ccc2cc[nH]c2c1 ZINC000492866529 394085447 /nfs/dbraw/zinc/08/54/47/394085447.db2.gz QFJZSMQAGMYKIG-HWKANZROSA-N 0 0 266.304 2.567 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)nc1 ZINC000492960745 394109665 /nfs/dbraw/zinc/10/96/65/394109665.db2.gz XWXCPHJTLNHNSF-ALCCZGGFSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCOc2ccccc21 ZINC000493017691 394125724 /nfs/dbraw/zinc/12/57/24/394125724.db2.gz NQVYNWBMBHMZBX-AATRIKPKSA-N 0 0 272.329 2.582 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccc2C)nc1 ZINC000493080216 394142226 /nfs/dbraw/zinc/14/22/26/394142226.db2.gz DWLNSNCECKMHMM-FNORWQNLSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1c[nH]nc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000290549810 394231056 /nfs/dbraw/zinc/23/10/56/394231056.db2.gz WRCHFWXBFQCOKX-UHFFFAOYSA-N 0 0 284.407 2.949 20 10 CFCDRN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290654654 394232830 /nfs/dbraw/zinc/23/28/30/394232830.db2.gz ZHSKWHIMPWQKRS-RISCZKNCSA-N 0 0 282.815 2.818 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2cccc(F)n2)s1 ZINC000493480911 394254787 /nfs/dbraw/zinc/25/47/87/394254787.db2.gz GOVHZLGJXIEPPM-SREVYHEPSA-N 0 0 277.324 2.662 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1ccc2c(c1)OCO2 ZINC000493856454 394331337 /nfs/dbraw/zinc/33/13/37/394331337.db2.gz PFRBEPLFOXTOKY-HWKANZROSA-N 0 0 288.328 2.548 20 10 CFCDRN C[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)c2nccn21 ZINC000295272743 394298668 /nfs/dbraw/zinc/29/86/68/394298668.db2.gz SDGAPRUBTNRZLM-BXUZGUMPSA-N 0 0 288.370 2.884 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296502335 394309904 /nfs/dbraw/zinc/30/99/04/394309904.db2.gz PBWPKJLLTJDNOP-NOZJJQNGSA-N 0 0 280.324 2.519 20 10 CFCDRN COc1cccc(CNc2cccc3c2OCC3)c1O ZINC000527763222 394404915 /nfs/dbraw/zinc/40/49/15/394404915.db2.gz QPFPIKGLAIUHQU-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000527957274 394431953 /nfs/dbraw/zinc/43/19/53/394431953.db2.gz QXDKDDDEBUSWBS-IHRRRGAJSA-N 0 0 299.798 2.626 20 10 CFCDRN C[C@@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122407062 397601113 /nfs/dbraw/zinc/60/11/13/397601113.db2.gz GHRVMZRAHIQLHT-LBPRGKRZSA-N 0 0 291.391 2.973 20 10 CFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2CC2)CCCC1 ZINC000650989511 413262280 /nfs/dbraw/zinc/26/22/80/413262280.db2.gz IQFYHJVPYYQCHN-UHFFFAOYSA-N 0 0 298.386 2.807 20 10 CFCDRN Nc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000020185661 171048418 /nfs/dbraw/zinc/04/84/18/171048418.db2.gz PISNITWIXIKOLI-UHFFFAOYSA-N 0 0 274.751 2.781 20 10 CFCDRN CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000072048291 176310484 /nfs/dbraw/zinc/31/04/84/176310484.db2.gz ZPQZFCLKWQHNPN-UHFFFAOYSA-N 0 0 252.333 2.698 20 10 CFCDRN Cc1cccc2c1C(=O)N[C@@H](c1ccc3c(c1)CCN3C)N2 ZINC000130186611 292592891 /nfs/dbraw/zinc/59/28/91/292592891.db2.gz WREYBSRVKBOGRC-KRWDZBQOSA-N 0 0 293.370 2.841 20 10 CFCDRN COC(C)(C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348703332 226507017 /nfs/dbraw/zinc/50/70/17/226507017.db2.gz XOEKDKZMOAYSTH-UHFFFAOYSA-N 0 0 288.391 2.918 20 10 CFCDRN Nc1ccc(CCNC(=O)CCc2ccsc2)cc1 ZINC000152481462 261064459 /nfs/dbraw/zinc/06/44/59/261064459.db2.gz LYNZDBKJGHMLQX-UHFFFAOYSA-N 0 0 274.389 2.622 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(F)c1 ZINC000299326646 263239760 /nfs/dbraw/zinc/23/97/60/263239760.db2.gz DONJARVDODFUCB-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN C[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000299550900 263246946 /nfs/dbraw/zinc/24/69/46/263246946.db2.gz XKTPYEKWWVLZMQ-AAEUAGOBSA-N 0 0 262.353 2.770 20 10 CFCDRN O=C(C[C@@H]1CCCC1(F)F)NCCc1ccc(O)c(O)c1 ZINC000934940050 649859322 /nfs/dbraw/zinc/85/93/22/649859322.db2.gz ZJAOJOISPYZWCZ-NSHDSACASA-N 0 0 299.317 2.582 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2CC=CCC2)c1O ZINC000934939845 649859326 /nfs/dbraw/zinc/85/93/26/649859326.db2.gz DHXCXZGMCZEQEP-GFCCVEGCSA-N 0 0 275.348 2.763 20 10 CFCDRN CC(C)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000369389442 267238731 /nfs/dbraw/zinc/23/87/31/267238731.db2.gz PCQXDHQVIIHEHO-UHFFFAOYSA-N 0 0 258.365 2.634 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744923 276379725 /nfs/dbraw/zinc/37/97/25/276379725.db2.gz NIAJWIUCUCSRRX-AAEUAGOBSA-N 0 0 266.360 2.666 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C)c1O ZINC000070220489 277105987 /nfs/dbraw/zinc/10/59/87/277105987.db2.gz MXPYYDKBHYEUIA-VIFPVBQESA-N 0 0 283.368 2.671 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287576393 288042460 /nfs/dbraw/zinc/04/24/60/288042460.db2.gz HCOBUWNEJBYWGY-CABZTGNLSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc(Cl)c1[O-] ZINC000287726560 288078518 /nfs/dbraw/zinc/07/85/18/288078518.db2.gz OXMYPSIJDPEOOW-ZMDDKVTMSA-N 0 0 289.828 2.853 20 10 CFCDRN COC[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191222767 293006698 /nfs/dbraw/zinc/00/66/98/293006698.db2.gz OAJATYLLLQPTIQ-RKDXNWHRSA-N 0 0 259.296 2.604 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000293774098 294460133 /nfs/dbraw/zinc/46/01/33/294460133.db2.gz SLAAPKDJNJMFTK-PRHODGIISA-N 0 0 271.307 2.746 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@](C)(F)C2)cc1OC ZINC000294872718 295027137 /nfs/dbraw/zinc/02/71/37/295027137.db2.gz FEFOVGKYPAHKHN-AWEZNQCLSA-N 0 0 298.314 2.940 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCCc3ncccc32)c1 ZINC000493770734 302377799 /nfs/dbraw/zinc/37/77/99/302377799.db2.gz KPEHYACGYNBYQS-SREVYHEPSA-N 0 0 279.343 2.778 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C=C\c1cnc(C)s1 ZINC000255165871 326955036 /nfs/dbraw/zinc/95/50/36/326955036.db2.gz OAAPFNLVYUMELC-SREVYHEPSA-N 0 0 289.360 2.531 20 10 CFCDRN Cc1c(/C=C\C(=O)N2C[C@H](C)c3ccccc32)cnn1C ZINC000255385484 326968734 /nfs/dbraw/zinc/96/87/34/326968734.db2.gz KVVBEJUNRBDIAI-LAUAKBEESA-N 0 0 281.359 2.892 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2ccccc2C1 ZINC000255908489 327027747 /nfs/dbraw/zinc/02/77/47/327027747.db2.gz ZFSXZDCNXKGVHB-HJWRWDBZSA-N 0 0 293.370 2.573 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCc3ccccc32)c1 ZINC000159443222 327194906 /nfs/dbraw/zinc/19/49/06/327194906.db2.gz CUQQCSVPGRUTNP-VOTSOKGWSA-N 0 0 264.328 2.993 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCOc2ccccc21 ZINC000104249392 328777423 /nfs/dbraw/zinc/77/74/23/328777423.db2.gz FICFGGNGFMSIMH-AATRIKPKSA-N 0 0 284.290 2.660 20 10 CFCDRN CCn1ncc(CN[C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000527922210 330295933 /nfs/dbraw/zinc/29/59/33/330295933.db2.gz CUECXALKQSFDLP-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@@H]([NH2+]CC1COC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000528031800 330305313 /nfs/dbraw/zinc/30/53/13/330305313.db2.gz WEZZIONDTYIOOG-SSDOTTSWSA-N 0 0 276.163 2.996 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCCCc2ccccc21 ZINC000491166788 332160376 /nfs/dbraw/zinc/16/03/76/332160376.db2.gz HGWZCQIQNRAPJU-CMDGGOBGSA-N 0 0 279.343 2.859 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1OC ZINC000491263346 332175937 /nfs/dbraw/zinc/17/59/37/332175937.db2.gz YPAJRRVLTZIZBD-TWGQIWQCSA-N 0 0 298.342 2.775 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000491749384 332325775 /nfs/dbraw/zinc/32/57/75/332325775.db2.gz QSGPRZGZCLMEJD-XEHSLEBBSA-N 0 0 280.327 2.909 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C/c1cncc(F)c1 ZINC000491963391 332377450 /nfs/dbraw/zinc/37/74/50/332377450.db2.gz MIRBZWLFEHFIMK-AATRIKPKSA-N 0 0 271.295 2.600 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2cccc(F)c21 ZINC000492199542 332386911 /nfs/dbraw/zinc/38/69/11/332386911.db2.gz WPNXOLRROURGOB-VOTSOKGWSA-N 0 0 268.291 2.823 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)c1 ZINC000492802794 332414103 /nfs/dbraw/zinc/41/41/03/332414103.db2.gz FEPBVIBWCKAQJN-LFAOLKIESA-N 0 0 294.354 2.526 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCc2cc(F)ccc21 ZINC000492854164 332416086 /nfs/dbraw/zinc/41/60/86/332416086.db2.gz DFUQWNWXJXZLQM-DUXPYHPUSA-N 0 0 274.320 2.885 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(F)F ZINC000219500827 333151379 /nfs/dbraw/zinc/15/13/79/333151379.db2.gz PWUGVTDJBYOHSK-UHFFFAOYSA-N 0 0 282.334 2.900 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccnc1 ZINC000186499215 333162090 /nfs/dbraw/zinc/16/20/90/333162090.db2.gz ZOMDLINMLAZLEG-AATRIKPKSA-N 0 0 259.334 2.523 20 10 CFCDRN O=C(CC1(c2ccccc2)CC1)NCc1ccc(O)c(O)c1 ZINC000528865734 333462537 /nfs/dbraw/zinc/46/25/37/333462537.db2.gz UVWJOVCBQCNZCL-UHFFFAOYSA-N 0 0 297.354 2.836 20 10 CFCDRN COc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000529663695 333504673 /nfs/dbraw/zinc/50/46/73/333504673.db2.gz ZQCQCKIXRMTXLY-UHFFFAOYSA-N 0 0 292.766 2.782 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530242786 333529560 /nfs/dbraw/zinc/52/95/60/333529560.db2.gz DFPNXTPDGMBXFW-GFCCVEGCSA-N 0 0 284.762 2.559 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3cc(F)ccc32)c1 ZINC000130082106 333812173 /nfs/dbraw/zinc/81/21/73/333812173.db2.gz GEMQLLDSEMKKGW-GORDUTHDSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2cc(F)ccc2F)cnn1C ZINC000130735166 333868361 /nfs/dbraw/zinc/86/83/61/333868361.db2.gz HOFNCRLWBYKCGN-QPJJXVBHSA-N 0 0 291.301 2.683 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1C1CC1 ZINC000177511472 335373456 /nfs/dbraw/zinc/37/34/56/335373456.db2.gz PQDNMQJYZAFHCF-KBPBESRZSA-N 0 0 286.375 2.524 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnc(N2CCCC2)nc1 ZINC001243317190 782131792 /nfs/dbraw/zinc/13/17/92/782131792.db2.gz UVNOYVWKACAKRR-UHFFFAOYSA-N 0 0 279.347 2.631 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276900978 519814005 /nfs/dbraw/zinc/81/40/05/519814005.db2.gz IZPZVUKWSNJANC-SKDRFNHKSA-N 0 0 273.323 2.728 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000277172184 522211539 /nfs/dbraw/zinc/21/15/39/522211539.db2.gz DUZPACRLAONULG-CQSZACIVSA-N 0 0 278.396 2.732 20 10 CFCDRN CC(C)(C)C(=O)NCc1cccc(Br)c1O ZINC000277604021 518585635 /nfs/dbraw/zinc/58/56/35/518585635.db2.gz UNVVBBHZPOJEPC-UHFFFAOYSA-N 0 0 286.169 2.817 20 10 CFCDRN CC(C)(C)CCCC(=O)NCc1ccc(O)c(O)c1 ZINC000158921325 518638189 /nfs/dbraw/zinc/63/81/89/518638189.db2.gz QJQNXBVNLVGPQT-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN CC(C)(C)[C@@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000231075651 518917286 /nfs/dbraw/zinc/91/72/86/518917286.db2.gz VRDWSXGLDBLVDD-GFCCVEGCSA-N 0 0 271.788 2.932 20 10 CFCDRN CC(C)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236647985 519268732 /nfs/dbraw/zinc/26/87/32/519268732.db2.gz IKBJXEZZUBUNQF-AWEZNQCLSA-N 0 0 260.381 2.706 20 10 CFCDRN CC(C)N(CC1CCC1)C(=O)c1cccc(O)c1O ZINC000278132593 519641197 /nfs/dbraw/zinc/64/11/97/519641197.db2.gz MQBRYCAYUDIJAT-UHFFFAOYSA-N 0 0 263.337 2.749 20 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CCOc1cc(N(C)Cc2ccc(N(C)C)cc2)ncn1 ZINC000302245266 520749068 /nfs/dbraw/zinc/74/90/68/520749068.db2.gz RUFHITSTPMTKFV-UHFFFAOYSA-N 0 0 286.379 2.578 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](OC)C2CC2)cc1 ZINC000279352008 520902260 /nfs/dbraw/zinc/90/22/60/520902260.db2.gz QLPSXLVMWLODCP-MRXNPFEDSA-N 0 0 290.407 2.574 20 10 CFCDRN CCCC[C@@H](NCc1cccc(C)c1O)C(=O)OC ZINC000083482092 521101429 /nfs/dbraw/zinc/10/14/29/521101429.db2.gz MXDWHJOMCGRIOU-CYBMUJFWSA-N 0 0 265.353 2.522 20 10 CFCDRN CCN(CCOCC(F)F)c1ccc(OC)c(OC)c1 ZINC000276149947 521141429 /nfs/dbraw/zinc/14/14/29/521141429.db2.gz BSBGMOHPVOKAIS-UHFFFAOYSA-N 0 0 289.322 2.812 20 10 CFCDRN CCOc1ccc(O)c(CN[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000158039613 521155103 /nfs/dbraw/zinc/15/51/03/521155103.db2.gz YODOTDIKRRZPMN-NSHDSACASA-N 0 0 295.379 2.611 20 10 CFCDRN CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203182 521191284 /nfs/dbraw/zinc/19/12/84/521191284.db2.gz IVNGETYJKDBBNS-NSHDSACASA-N 0 0 298.333 2.783 20 10 CFCDRN CCOc1cccc(CN[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000158027020 521369290 /nfs/dbraw/zinc/36/92/90/521369290.db2.gz KRMDFYZIXMHZOR-NSHDSACASA-N 0 0 295.379 2.611 20 10 CFCDRN CCOc1cccc(CNc2cccnc2OC)c1O ZINC000037070673 521378651 /nfs/dbraw/zinc/37/86/51/521378651.db2.gz GQDQZYBULYTFQG-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CCCc1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000292385818 521598453 /nfs/dbraw/zinc/59/84/53/521598453.db2.gz DKHHMDSGQHLRMN-SECBINFHSA-N 0 0 293.392 2.945 20 10 CFCDRN CCCc1occc1C(=O)NCc1ccc(N)cc1 ZINC000297291605 521608155 /nfs/dbraw/zinc/60/81/55/521608155.db2.gz UXRUUDUPXIBVCV-UHFFFAOYSA-N 0 0 258.321 2.744 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000275720004 521627758 /nfs/dbraw/zinc/62/77/58/521627758.db2.gz NNTCWKFGAKZXOI-NSHDSACASA-N 0 0 295.379 2.645 20 10 CFCDRN CCOCCC1(CNC(=O)Cc2ccc(N)cc2)CCC1 ZINC000237039743 521683720 /nfs/dbraw/zinc/68/37/20/521683720.db2.gz RJIDIDYEANLNNV-UHFFFAOYSA-N 0 0 290.407 2.524 20 10 CFCDRN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278289110 521685278 /nfs/dbraw/zinc/68/52/78/521685278.db2.gz UOWZJPPMXZFESA-UHFFFAOYSA-N 0 0 280.324 2.683 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]1C ZINC000264494896 521688810 /nfs/dbraw/zinc/68/88/10/521688810.db2.gz FDMNBESWFWCWIQ-JSGCOSHPSA-N 0 0 276.380 2.970 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCOCC1 ZINC000366026250 521689252 /nfs/dbraw/zinc/68/92/52/521689252.db2.gz SZOOVCUEJWQVTR-AWEZNQCLSA-N 0 0 291.391 2.948 20 10 CFCDRN CCC1(CC)[C@H](NC(=O)Cc2ccc(N)cc2)C[C@@H]1OC ZINC000236635474 521696047 /nfs/dbraw/zinc/69/60/47/521696047.db2.gz KQDDAPMLXSIXPG-CABCVRRESA-N 0 0 290.407 2.521 20 10 CFCDRN CCS[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236914289 521730999 /nfs/dbraw/zinc/73/09/99/521730999.db2.gz JUUFEZKUVUNJCB-CABCVRRESA-N 0 0 292.448 2.992 20 10 CFCDRN CCNC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164160486 521738789 /nfs/dbraw/zinc/73/87/89/521738789.db2.gz PQZYCYXAVMOMSK-UHFFFAOYSA-N 0 0 258.412 2.669 20 10 CFCDRN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278887920 521820470 /nfs/dbraw/zinc/82/04/70/521820470.db2.gz PBSFXBSOJNIDMJ-VHSXEESVSA-N 0 0 282.340 2.833 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000278227358 521867190 /nfs/dbraw/zinc/86/71/90/521867190.db2.gz MEVMUENXHXSQRA-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278314570 521875268 /nfs/dbraw/zinc/87/52/68/521875268.db2.gz XEWNXYYKNISYIV-QWRGUYRKSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000278225534 521876296 /nfs/dbraw/zinc/87/62/96/521876296.db2.gz MCPODSSUNDRCHD-SNVBAGLBSA-N 0 0 294.351 2.929 20 10 CFCDRN COCC[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1O ZINC000291175724 521890018 /nfs/dbraw/zinc/89/00/18/521890018.db2.gz FDNPWSXHODFKSJ-CQSZACIVSA-N 0 0 299.798 2.591 20 10 CFCDRN CC[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159384 521915959 /nfs/dbraw/zinc/91/59/59/521915959.db2.gz NPNISKOMZRYTEJ-LLVKDONJSA-N 0 0 261.365 2.933 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2F)cc1 ZINC000229916819 522170401 /nfs/dbraw/zinc/17/04/01/522170401.db2.gz LZVDGGITMGRETN-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN CN(C)c1ccc(CN2CCOCC2)c(C(F)(F)F)c1 ZINC000280672050 522178920 /nfs/dbraw/zinc/17/89/20/522178920.db2.gz UWTPYPGQWBGJIY-UHFFFAOYSA-N 0 0 288.313 2.604 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC(C2CC2)C2CC2)cc1 ZINC000031728739 522192870 /nfs/dbraw/zinc/19/28/70/522192870.db2.gz FFSGNBXCANHWFG-UHFFFAOYSA-N 0 0 287.407 2.740 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCCCC(C)(F)F)cc1 ZINC000296143009 522194201 /nfs/dbraw/zinc/19/42/01/522194201.db2.gz CUUAKAHYQVKEGN-UHFFFAOYSA-N 0 0 299.365 2.987 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC=CO1 ZINC000194694482 522254689 /nfs/dbraw/zinc/25/46/89/522254689.db2.gz ADLDUQUIYFQVSV-AWEZNQCLSA-N 0 0 274.364 2.644 20 10 CFCDRN COc1cc(CCO)ccc1NCc1cc(C)ccc1O ZINC000289625388 522338409 /nfs/dbraw/zinc/33/84/09/522338409.db2.gz KEOOIMNFPLPQBI-UHFFFAOYSA-N 0 0 287.359 2.856 20 10 CFCDRN COc1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000230929781 522535172 /nfs/dbraw/zinc/53/51/72/522535172.db2.gz AFQCENVBOJPSGX-QWHCGFSZSA-N 0 0 297.782 2.808 20 10 CFCDRN CC[C@H](NCc1nncn1CC)c1ccc(N(C)C)cc1 ZINC000158419288 522673495 /nfs/dbraw/zinc/67/34/95/522673495.db2.gz NSOSHZKCVCFGSX-HNNXBMFYSA-N 0 0 287.411 2.605 20 10 CFCDRN COCC(C)(C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000290176597 522806296 /nfs/dbraw/zinc/80/62/96/522806296.db2.gz RMHWQDPUNPFKJP-UHFFFAOYSA-N 0 0 296.367 2.843 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)cc1[O-] ZINC000289947891 522845751 /nfs/dbraw/zinc/84/57/51/522845751.db2.gz WIGQXWALBSCCCJ-CYBMUJFWSA-N 0 0 263.316 2.538 20 10 CFCDRN COCc1cc(CN(C)Cc2ccc(N(C)C)cc2)no1 ZINC000291460820 522919701 /nfs/dbraw/zinc/91/97/01/522919701.db2.gz NMHCBKONALGNIJ-UHFFFAOYSA-N 0 0 289.379 2.519 20 10 CFCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccccc1O ZINC000274397168 523064847 /nfs/dbraw/zinc/06/48/47/523064847.db2.gz POXBVVWGEKKEJS-XJKSGUPXSA-N 0 0 291.391 2.994 20 10 CFCDRN CCn1c(C)cc(C(=O)NCCc2ccc(N)cc2)c1C ZINC000237204408 523133864 /nfs/dbraw/zinc/13/38/64/523133864.db2.gz DXFYJVDCAIEHTK-UHFFFAOYSA-N 0 0 285.391 2.680 20 10 CFCDRN COCc1nc(CNCc2c(O)cccc2Cl)cs1 ZINC000289983137 523198734 /nfs/dbraw/zinc/19/87/34/523198734.db2.gz ZWATZANSQOXALR-UHFFFAOYSA-N 0 0 298.795 2.938 20 10 CFCDRN CCn1cc(CCN(C)c2ccc(OC)cc2OC)cn1 ZINC000276258306 523364092 /nfs/dbraw/zinc/36/40/92/523364092.db2.gz ASFLYYNLPWFHBE-UHFFFAOYSA-N 0 0 289.379 2.599 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@](C)(O)c1ccccc1 ZINC000272740460 523378954 /nfs/dbraw/zinc/37/89/54/523378954.db2.gz LXXRORPRJQODQV-SFHVURJKSA-N 0 0 299.370 2.648 20 10 CFCDRN COC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000191649686 523526870 /nfs/dbraw/zinc/52/68/70/523526870.db2.gz BWGNQBKNHDZMNH-CYBMUJFWSA-N 0 0 290.407 2.669 20 10 CFCDRN CC[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291521 523549705 /nfs/dbraw/zinc/54/97/05/523549705.db2.gz PONMUHYMENEWMM-TZMCWYRMSA-N 0 0 277.364 2.556 20 10 CFCDRN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2[O-])C12CCC2 ZINC000368035010 523782108 /nfs/dbraw/zinc/78/21/08/523782108.db2.gz LGLFFVVVEJFCBL-NZVBXONLSA-N 0 0 279.355 2.825 20 10 CFCDRN CO[C@@](C)(C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000290886593 523790642 /nfs/dbraw/zinc/79/06/42/523790642.db2.gz CLZCVTDKERVAMC-QGZVFWFLSA-N 0 0 290.407 2.526 20 10 CFCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1O ZINC000192102757 523811352 /nfs/dbraw/zinc/81/13/52/523811352.db2.gz HYFABRQRMKLLDE-CYBMUJFWSA-N 0 0 279.380 2.944 20 10 CFCDRN CN1CCCc2cc(CNC(=O)CC3CCC3)ccc21 ZINC000079812281 523859025 /nfs/dbraw/zinc/85/90/25/523859025.db2.gz YGMFXNMPQDNMKA-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN CCc1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237168548 523916193 /nfs/dbraw/zinc/91/61/93/523916193.db2.gz XQSWCZIYXKUMSL-UHFFFAOYSA-N 0 0 282.387 2.733 20 10 CFCDRN COc1ccc(CCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237214040 523935351 /nfs/dbraw/zinc/93/53/51/523935351.db2.gz UTCOAZSCLIATTH-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN COc1ccc(COc2ccc(N(C)C)cc2)cn1 ZINC000289397700 524119316 /nfs/dbraw/zinc/11/93/16/524119316.db2.gz NLXUMABQNKEYSR-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000248084845 524217083 /nfs/dbraw/zinc/21/70/83/524217083.db2.gz JZIZIDMZYFKZEZ-UHFFFAOYSA-N 0 0 298.386 2.691 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000235391740 524307421 /nfs/dbraw/zinc/30/74/21/524307421.db2.gz SOPPITKGIFMNHD-IUODEOHRSA-N 0 0 260.381 2.896 20 10 CFCDRN Cc1cccc(C2(C(=O)NCc3ccc(O)c(O)c3)CC2)c1 ZINC000272273925 524328616 /nfs/dbraw/zinc/32/86/16/524328616.db2.gz DRJBNPPYQGNTEK-UHFFFAOYSA-N 0 0 297.354 2.754 20 10 CFCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000264329461 524333520 /nfs/dbraw/zinc/33/35/20/524333520.db2.gz SEJJIOUSVWKDLB-DOMZBBRYSA-N 0 0 275.396 2.740 20 10 CFCDRN Cc1cccc(CN(C)Cc2ncc(Cl)n2C)c1O ZINC000181142854 524380379 /nfs/dbraw/zinc/38/03/79/524380379.db2.gz QOOHOESOHLATQJ-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN Cc1cccc(CNC(=O)COc2ccc(N(C)C)cc2)c1 ZINC000277753736 524417989 /nfs/dbraw/zinc/41/79/89/524417989.db2.gz JQPDXZQSVSCJEQ-UHFFFAOYSA-N 0 0 298.386 2.756 20 10 CFCDRN Cc1cccc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000156962985 524519484 /nfs/dbraw/zinc/51/94/84/524519484.db2.gz YRWUZNZVJKBNDZ-UHFFFAOYSA-N 0 0 297.402 2.863 20 10 CFCDRN C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1O ZINC000299539518 524543627 /nfs/dbraw/zinc/54/36/27/524543627.db2.gz VCWUUKISIFTEFM-LBPRGKRZSA-N 0 0 288.347 2.806 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000280603020 524626277 /nfs/dbraw/zinc/62/62/77/524626277.db2.gz OEEKQAUJONEOHK-IINYFYTJSA-N 0 0 265.328 2.531 20 10 CFCDRN C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168167996 524685283 /nfs/dbraw/zinc/68/52/83/524685283.db2.gz RALBGVLPUGCILH-IWEMQMMOSA-N 0 0 296.219 2.556 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2nc(C)ns2)c1 ZINC000301967906 524773412 /nfs/dbraw/zinc/77/34/12/524773412.db2.gz XCTNMCRXKOUYJN-ZETCQYMHSA-N 0 0 265.338 2.734 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nnc(C)s2)c1 ZINC000274247169 524775285 /nfs/dbraw/zinc/77/52/85/524775285.db2.gz RSLZCOVXKCKGTL-DTWKUNHWSA-N 0 0 293.392 2.973 20 10 CFCDRN COc1cncc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000289997351 524921848 /nfs/dbraw/zinc/92/18/48/524921848.db2.gz RLXDLSJNDSXGTL-UHFFFAOYSA-N 0 0 299.374 2.555 20 10 CFCDRN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277201856 525288225 /nfs/dbraw/zinc/28/82/25/525288225.db2.gz VRRSWFSKYFUERM-ZETCQYMHSA-N 0 0 272.251 2.749 20 10 CFCDRN CSCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298414027 525368471 /nfs/dbraw/zinc/36/84/71/525368471.db2.gz XFKQUITUYHYTMT-UHFFFAOYSA-N 0 0 292.448 2.997 20 10 CFCDRN C[C@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1[O-] ZINC000062747670 525371376 /nfs/dbraw/zinc/37/13/76/525371376.db2.gz XNVLYDJNRPGYBQ-NSHDSACASA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000062747877 525415306 /nfs/dbraw/zinc/41/53/06/525415306.db2.gz QHZLJEVSXPIGDB-WDEREUQCSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000062748289 525481229 /nfs/dbraw/zinc/48/12/29/525481229.db2.gz KPRBBFGMAZHSBK-PWSUYJOCSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265935666 525484939 /nfs/dbraw/zinc/48/49/39/525484939.db2.gz POCLLXCEXIHICA-HIFRSBDPSA-N 0 0 285.391 2.518 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000062745803 525495855 /nfs/dbraw/zinc/49/58/55/525495855.db2.gz ZUDUZFNMJYSZHL-BZNIZROVSA-N 0 0 275.323 2.916 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273477853 525504519 /nfs/dbraw/zinc/50/45/19/525504519.db2.gz LHGUQSCQXYUVPS-UTUOFQBUSA-N 0 0 294.351 2.766 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)CSC ZINC000275169884 525514167 /nfs/dbraw/zinc/51/41/67/525514167.db2.gz KXWRSWXJGDCMMH-CYBMUJFWSA-N 0 0 281.421 2.562 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c[nH]c2nccnc12 ZINC000284292902 525530864 /nfs/dbraw/zinc/53/08/64/525530864.db2.gz UKOBLTLCBNRJBU-UHFFFAOYSA-N 0 0 280.331 2.529 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(F)c(F)c1[O-] ZINC000276964053 525613165 /nfs/dbraw/zinc/61/31/65/525613165.db2.gz SIHICZCQAACRRM-KWBADKCTSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000296306994 525620042 /nfs/dbraw/zinc/62/00/42/525620042.db2.gz GEGZWUWUSMVINU-KWQFWETISA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000230669828 525624850 /nfs/dbraw/zinc/62/48/50/525624850.db2.gz BCGGUGWTYJDBFB-DYQSUWPFSA-N 0 0 265.328 2.749 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000281228611 525626189 /nfs/dbraw/zinc/62/61/89/525626189.db2.gz UOTQNIXMLRZRAB-ZWNOBZJWSA-N 0 0 267.344 2.733 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066768272 525671663 /nfs/dbraw/zinc/67/16/63/525671663.db2.gz LZPLMTXWBKQWKO-JTQLQIEISA-N 0 0 284.400 2.507 20 10 CFCDRN C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(N(C)C)cc1 ZINC000302428062 525696589 /nfs/dbraw/zinc/69/65/89/525696589.db2.gz PAZDBMYYXCRTCF-SECBINFHSA-N 0 0 291.786 2.951 20 10 CFCDRN C[C@@H](O)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000276398109 525737075 /nfs/dbraw/zinc/73/70/75/525737075.db2.gz TVLSRFHWGCLMSU-UONOGXRCSA-N 0 0 299.370 2.863 20 10 CFCDRN C[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227956029 525757601 /nfs/dbraw/zinc/75/76/01/525757601.db2.gz FPGYPIJNSDWJNV-MRVPVSSYSA-N 0 0 278.179 2.950 20 10 CFCDRN Cc1ccc([C@H](C)N[C@H](C)c2ncn(C)n2)c(O)c1C ZINC000275726832 525944205 /nfs/dbraw/zinc/94/42/05/525944205.db2.gz ONLGKWJTQHKHTK-NWDGAFQWSA-N 0 0 274.368 2.549 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)CCCO1 ZINC000336224689 525974508 /nfs/dbraw/zinc/97/45/08/525974508.db2.gz DITYMUSWEYEYLM-QGZVFWFLSA-N 0 0 286.375 2.672 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@]1(C)C[C@H]1F ZINC000335116729 525974638 /nfs/dbraw/zinc/97/46/38/525974638.db2.gz MVHJOZJPUSUNKT-ZBFHGGJFSA-N 0 0 274.339 2.851 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)C[C@H]1F ZINC000335116722 525974734 /nfs/dbraw/zinc/97/47/34/525974734.db2.gz MVHJOZJPUSUNKT-GDBMZVCRSA-N 0 0 274.339 2.851 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)CCOC1 ZINC000336621961 525974876 /nfs/dbraw/zinc/97/48/76/525974876.db2.gz GZWJMKFBOVJONV-QGZVFWFLSA-N 0 0 286.375 2.530 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H](C)C(C)C)c1O ZINC000105650019 525975768 /nfs/dbraw/zinc/97/57/68/525975768.db2.gz OKRSXQMDSZXYDD-NSHDSACASA-N 0 0 265.353 2.699 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H]2CCCC2(C)C)c1O ZINC000079131221 525989195 /nfs/dbraw/zinc/98/91/95/525989195.db2.gz IOMVHRIWTPCKIP-CYBMUJFWSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC2(C)C)c1O ZINC000274913921 525999128 /nfs/dbraw/zinc/99/91/28/525999128.db2.gz HSXINYIPPSKOHE-GFCCVEGCSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)c1nnnn1C ZINC000189067973 526004285 /nfs/dbraw/zinc/00/42/85/526004285.db2.gz QLQDAHBVZMNSGD-SSDOTTSWSA-N 0 0 283.426 2.817 20 10 CFCDRN Cc1ccc(C(=O)N(CC(C)C)C2CC2)c(O)c1O ZINC000179416661 526069635 /nfs/dbraw/zinc/06/96/35/526069635.db2.gz ASWPGRJPQSYXRX-UHFFFAOYSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1cncc(CCC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000292032194 526189914 /nfs/dbraw/zinc/18/99/14/526189914.db2.gz QEFFZIADVMQDIJ-UHFFFAOYSA-N 0 0 297.402 2.705 20 10 CFCDRN Cc1ccc2nc(CNCc3ccc4c(c3)CCO4)cn2c1 ZINC000264234180 526249256 /nfs/dbraw/zinc/24/92/56/526249256.db2.gz CTZQIVIMTWHMDB-UHFFFAOYSA-N 0 0 293.370 2.867 20 10 CFCDRN Cc1cc(C(=O)NCCCCO)c(C)n1-c1ccccc1 ZINC000194993902 526266330 /nfs/dbraw/zinc/26/63/30/526266330.db2.gz AQFXERMHUOSZPA-UHFFFAOYSA-N 0 0 286.375 2.596 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000071299676 526323677 /nfs/dbraw/zinc/32/36/77/526323677.db2.gz UMSCAIAADXELCH-LLVKDONJSA-N 0 0 276.163 2.560 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000160222271 526328721 /nfs/dbraw/zinc/32/87/21/526328721.db2.gz JTAKNAGFTQEZMZ-KBPBESRZSA-N 0 0 265.328 2.675 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000224931101 526328927 /nfs/dbraw/zinc/32/89/27/526328927.db2.gz YSCVIHJIDSRPIE-JSGCOSHPSA-N 0 0 267.756 2.703 20 10 CFCDRN Oc1ccc(CCNc2ncnc3sccc32)cc1O ZINC000301074817 526342778 /nfs/dbraw/zinc/34/27/78/526342778.db2.gz YIAOLTHIZYNUQJ-UHFFFAOYSA-N 0 0 287.344 2.757 20 10 CFCDRN Cc1nnc(NCc2c(C)c3ccccc3n2C)n1C ZINC000279747547 526371772 /nfs/dbraw/zinc/37/17/72/526371772.db2.gz KVWWMMGSZJFBMV-UHFFFAOYSA-N 0 0 269.352 2.536 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000174513804 526635025 /nfs/dbraw/zinc/63/50/25/526635025.db2.gz RYQSHCZCWJCSSG-UHFFFAOYSA-N 0 0 259.349 2.687 20 10 CFCDRN Cc1nc(C)c(C(=O)CSc2nccs2)o1 ZINC000268988220 526689311 /nfs/dbraw/zinc/68/93/11/526689311.db2.gz DBWMXTLGVRWESQ-UHFFFAOYSA-N 0 0 254.336 2.723 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000174619810 526699648 /nfs/dbraw/zinc/69/96/48/526699648.db2.gz INLJWGBGURLGML-UHFFFAOYSA-N 0 0 299.374 2.822 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccc(C2CC2)n1 ZINC000296757464 526755417 /nfs/dbraw/zinc/75/54/17/526755417.db2.gz DXWLBKOBNGZWTQ-UHFFFAOYSA-N 0 0 283.331 2.986 20 10 CFCDRN Cc1nccnc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293613863 527451166 /nfs/dbraw/zinc/45/11/66/527451166.db2.gz KDTCMYDKPDODNR-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN Nc1ccc(CC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000315737310 527477632 /nfs/dbraw/zinc/47/76/32/527477632.db2.gz FWZRHINQAZSDET-UHFFFAOYSA-N 0 0 292.342 2.840 20 10 CFCDRN Nc1ccc(CC(=O)N[C@H]2CCCc3cc(N)ccc32)cc1 ZINC000263041514 527477680 /nfs/dbraw/zinc/47/76/80/527477680.db2.gz DRJCWCNHCBNELG-KRWDZBQOSA-N 0 0 295.386 2.587 20 10 CFCDRN Nc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000160347499 527491773 /nfs/dbraw/zinc/49/17/73/527491773.db2.gz RKBHPCWTPIJAAA-FOSCPWQOSA-N 0 0 272.348 2.603 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000291016072 527581530 /nfs/dbraw/zinc/58/15/30/527581530.db2.gz XJNNZQLUJHFCQH-CYBMUJFWSA-N 0 0 269.772 2.686 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC(F)(F)C1 ZINC000281922872 527613335 /nfs/dbraw/zinc/61/33/35/527613335.db2.gz VPUFKLCRXRXXEE-JRBALWBOSA-N 0 0 297.301 2.663 20 10 CFCDRN CC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)nc1 ZINC000753947132 574057663 /nfs/dbraw/zinc/05/76/63/574057663.db2.gz ZCEWYEGCZAXLAP-UHFFFAOYSA-N 0 0 299.330 2.654 20 10 CFCDRN Cc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)o1 ZINC000754040989 574064886 /nfs/dbraw/zinc/06/48/86/574064886.db2.gz HEPXNXIERZQGNV-UHFFFAOYSA-N 0 0 286.375 2.821 20 10 CFCDRN CC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000727839411 574068072 /nfs/dbraw/zinc/06/80/72/574068072.db2.gz AXKZXGVDKWJXJL-AWEZNQCLSA-N 0 0 275.396 2.837 20 10 CFCDRN CC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000727940824 574074691 /nfs/dbraw/zinc/07/46/91/574074691.db2.gz AIFRYQTWTFTPOA-CYBMUJFWSA-N 0 0 293.386 2.976 20 10 CFCDRN COc1cc(N(C)C[C@H]2C[C@H]2C)cc(OC)c1OC ZINC000754142431 574076808 /nfs/dbraw/zinc/07/68/08/574076808.db2.gz FXOMYLFGFVSUBK-GHMZBOCLSA-N 0 0 265.353 2.805 20 10 CFCDRN CCNC(=S)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000730595925 574089416 /nfs/dbraw/zinc/08/94/16/574089416.db2.gz CNJHEABVSIKMQN-UHFFFAOYSA-N 0 0 279.453 2.859 20 10 CFCDRN CC[C@H](C)NC(=S)N[C@@H](C)c1cc(OC)ccc1O ZINC000728791361 574110569 /nfs/dbraw/zinc/11/05/69/574110569.db2.gz BNWCXEWETVKQHZ-UWVGGRQHSA-N 0 0 282.409 2.724 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2cn[nH]c2)c1O ZINC000754660719 574111364 /nfs/dbraw/zinc/11/13/64/574111364.db2.gz UFWOAWDDEIQISK-UHFFFAOYSA-N 0 0 293.754 2.603 20 10 CFCDRN CCc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)s1 ZINC000731158911 574112025 /nfs/dbraw/zinc/11/20/25/574112025.db2.gz LLUNCOPCMVTBJA-GXDHUFHOSA-N 0 0 298.367 2.772 20 10 CFCDRN CCN(CC)c1ccc(CNc2cncc(OC)n2)cc1 ZINC000754834121 574123849 /nfs/dbraw/zinc/12/38/49/574123849.db2.gz GPANWKRKKUZWJF-UHFFFAOYSA-N 0 0 286.379 2.944 20 10 CFCDRN CC(C)c1ocnc1C(=O)N(C)Cc1ccccc1O ZINC000731877968 574132184 /nfs/dbraw/zinc/13/21/84/574132184.db2.gz VFMGUSFVTLGFLH-UHFFFAOYSA-N 0 0 274.320 2.776 20 10 CFCDRN COC(=O)c1ccc(COC(=O)C2=CC(=O)CS2)cc1 ZINC000731909653 574133349 /nfs/dbraw/zinc/13/33/49/574133349.db2.gz HUSXJBQMDQJZCA-UHFFFAOYSA-N 0 0 292.312 2.597 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2C=CCC2)c1 ZINC000728985445 574143540 /nfs/dbraw/zinc/14/35/40/574143540.db2.gz XTZYNLDAEDUZCX-NEPJUHHUSA-N 0 0 275.348 2.934 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737494726 574144709 /nfs/dbraw/zinc/14/47/09/574144709.db2.gz ZTWDPTGLSADRIU-HNNXBMFYSA-N 0 0 289.306 2.789 20 10 CFCDRN COc1ccccc1[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732265282 574148268 /nfs/dbraw/zinc/14/82/68/574148268.db2.gz SNJRLMDNAAFLIS-VIFPVBQESA-N 0 0 277.345 2.953 20 10 CFCDRN C[C@@H](c1ccncc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732273278 574148893 /nfs/dbraw/zinc/14/88/93/574148893.db2.gz OWSJHWUSZZZDAY-VIFPVBQESA-N 0 0 262.334 2.682 20 10 CFCDRN CCc1nc([C@H](C)NC(=O)C2=CC(=O)CS2)cs1 ZINC000732302220 574149480 /nfs/dbraw/zinc/14/94/80/574149480.db2.gz DORMCZDPFKUQHC-ZETCQYMHSA-N 0 0 282.390 2.964 20 10 CFCDRN CCCN(CCc1ccccn1)C(=O)C1=CC(=O)CS1 ZINC000732277071 574149551 /nfs/dbraw/zinc/14/95/51/574149551.db2.gz DJRVGXOGCKCZAH-UHFFFAOYSA-N 0 0 290.388 2.944 20 10 CFCDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)C1=CC(=O)CS1 ZINC000732286380 574149865 /nfs/dbraw/zinc/14/98/65/574149865.db2.gz SKFBUQVCMFKLMI-GFCCVEGCSA-N 0 0 289.356 2.934 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1C1CCC1 ZINC000732285990 574149923 /nfs/dbraw/zinc/14/99/23/574149923.db2.gz RALSEIYANKOVME-LLVKDONJSA-N 0 0 251.351 2.858 20 10 CFCDRN C[C@@H]1C[C@@H]1c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732280527 574149993 /nfs/dbraw/zinc/14/99/93/574149993.db2.gz KDVPLZAPJYANOP-SVRRBLITSA-N 0 0 263.322 2.553 20 10 CFCDRN Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000732279129 574150092 /nfs/dbraw/zinc/15/00/92/574150092.db2.gz YEQWNNKZYOIITN-UHFFFAOYSA-N 0 0 298.390 2.638 20 10 CFCDRN COc1ccc(CCC(=O)Nc2ccc(N)cc2)cc1F ZINC000746478683 574150771 /nfs/dbraw/zinc/15/07/71/574150771.db2.gz OAFBUQHDFWYMKQ-UHFFFAOYSA-N 0 0 288.322 2.988 20 10 CFCDRN C/C=C/C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000737844777 574153129 /nfs/dbraw/zinc/15/31/29/574153129.db2.gz SFWYRRVUKFFMLD-QPJJXVBHSA-N 0 0 264.344 2.864 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CC2)c1 ZINC000752020895 574154428 /nfs/dbraw/zinc/15/44/28/574154428.db2.gz VBRHPENJEIGBGI-SNVBAGLBSA-N 0 0 278.352 2.561 20 10 CFCDRN CN1CCCc2cc(CNc3cccnc3[N+](=O)[O-])ccc21 ZINC000746718787 574163871 /nfs/dbraw/zinc/16/38/71/574163871.db2.gz NEONROSLCPPMPZ-UHFFFAOYSA-N 0 0 298.346 2.984 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C2CC2)c1 ZINC000729052266 574165988 /nfs/dbraw/zinc/16/59/88/574165988.db2.gz VYNJOGBPKGRTLN-WDEREUQCSA-N 0 0 292.379 2.807 20 10 CFCDRN C[C@H](C(=O)NCc1ccccc1O)c1cccs1 ZINC000738514525 574172386 /nfs/dbraw/zinc/17/23/86/574172386.db2.gz XKGDICNWNOXSSP-JTQLQIEISA-N 0 0 261.346 2.874 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC2(C)C)cc1 ZINC000732825959 574174005 /nfs/dbraw/zinc/17/40/05/574174005.db2.gz DBMKJYMLRCUESN-CQSZACIVSA-N 0 0 289.423 2.940 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C)c1 ZINC000729279763 574195868 /nfs/dbraw/zinc/19/58/68/574195868.db2.gz BJKQDTHVJYSILO-SECBINFHSA-N 0 0 251.326 2.624 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC2(C)C)cc1F ZINC000747585747 574202436 /nfs/dbraw/zinc/20/24/36/574202436.db2.gz SNSVMDVGUSAQGF-UHFFFAOYSA-N 0 0 279.359 2.586 20 10 CFCDRN CCOC[C@H](O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000747681606 574206585 /nfs/dbraw/zinc/20/65/85/574206585.db2.gz CMRHCUPDKQWTNZ-OAHLLOKOSA-N 0 0 281.396 2.555 20 10 CFCDRN CCN(C)c1ccc(Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000747809262 574213848 /nfs/dbraw/zinc/21/38/48/574213848.db2.gz NGGXDCKRQJGSPL-UHFFFAOYSA-N 0 0 274.324 2.604 20 10 CFCDRN COC(=O)[C@H](CC1CCCCC1)NCc1ccccc1O ZINC000756147184 574213995 /nfs/dbraw/zinc/21/39/95/574213995.db2.gz NYYOMWKJXATEHH-HNNXBMFYSA-N 0 0 291.391 2.994 20 10 CFCDRN COC(=O)[C@@H](CC1CCCCC1)NCc1ccccc1O ZINC000756147186 574214100 /nfs/dbraw/zinc/21/41/00/574214100.db2.gz NYYOMWKJXATEHH-OAHLLOKOSA-N 0 0 291.391 2.994 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1[O-] ZINC000755166650 574214233 /nfs/dbraw/zinc/21/42/33/574214233.db2.gz AMDHDGVFNMHCDT-ZUZCIYMTSA-N 0 0 297.782 2.905 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)C[C@H](C)O2 ZINC000747890659 574218141 /nfs/dbraw/zinc/21/81/41/574218141.db2.gz BGWWGTRHJXBWAX-IYNGYCSASA-N 0 0 297.358 2.556 20 10 CFCDRN Cc1ccc(O)c(CNCc2cnn(-c3ccccc3)n2)c1 ZINC000733324901 574221855 /nfs/dbraw/zinc/22/18/55/574221855.db2.gz JHPQFLYZLFOOOP-UHFFFAOYSA-N 0 0 294.358 2.571 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000729529876 574223143 /nfs/dbraw/zinc/22/31/43/574223143.db2.gz LXLUPQJOHKZGQT-HNNXBMFYSA-N 0 0 267.328 2.738 20 10 CFCDRN CCN1C(=O)/C(=C/c2cnn3ccccc23)SC1=S ZINC000729641231 574225484 /nfs/dbraw/zinc/22/54/84/574225484.db2.gz FMHBFNVKBLIZRT-XFFZJAGNSA-N 0 0 289.385 2.555 20 10 CFCDRN CCOCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342445 574227328 /nfs/dbraw/zinc/22/73/28/574227328.db2.gz OZFNNGKUVCLAAK-VIFPVBQESA-N 0 0 259.296 2.748 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000756363088 574229802 /nfs/dbraw/zinc/22/98/02/574229802.db2.gz RMBPMKVMFUZPBO-AWEZNQCLSA-N 0 0 290.388 2.730 20 10 CFCDRN CCN1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756364334 574230043 /nfs/dbraw/zinc/23/00/43/574230043.db2.gz TXPDFDLMMOJRIK-JTQLQIEISA-N 0 0 284.350 2.805 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756381072 574231363 /nfs/dbraw/zinc/23/13/63/574231363.db2.gz JUDZMXNMNBAPDI-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN CCC[C@H](C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756384300 574231727 /nfs/dbraw/zinc/23/17/27/574231727.db2.gz AGLXTKZCHZYXCK-SWLSCSKDSA-N 0 0 291.391 2.991 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756401194 574234099 /nfs/dbraw/zinc/23/40/99/574234099.db2.gz VQNMVHPXGOTSHI-JTQLQIEISA-N 0 0 295.333 2.985 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756399525 574234159 /nfs/dbraw/zinc/23/41/59/574234159.db2.gz QOJFGKZLRRSDPT-MWLCHTKSSA-N 0 0 271.307 2.890 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)CCCNC(=O)[O-])cc1C(C)C ZINC000740087547 574235265 /nfs/dbraw/zinc/23/52/65/574235265.db2.gz DCBGDGHBANAKBL-UHFFFAOYSA-N 0 0 294.395 2.914 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)[O-])C2)cc1C(C)C ZINC000740089850 574235312 /nfs/dbraw/zinc/23/53/12/574235312.db2.gz ZDERZWZQZIRGOT-ZDUSSCGKSA-N 0 0 292.379 2.666 20 10 CFCDRN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756462927 574239312 /nfs/dbraw/zinc/23/93/12/574239312.db2.gz BJUMWXSGBOKVQK-IUCAKERBSA-N 0 0 259.296 2.604 20 10 CFCDRN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccn(C)n1 ZINC000756498317 574241725 /nfs/dbraw/zinc/24/17/25/574241725.db2.gz UZZFMQIOPDHRLH-CQSZACIVSA-N 0 0 290.386 2.866 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756545597 574245444 /nfs/dbraw/zinc/24/54/44/574245444.db2.gz NFNMUFNBJCOUIF-MWLCHTKSSA-N 0 0 282.334 2.558 20 10 CFCDRN O=C(NCc1ccccc1O)c1c(O)cccc1Cl ZINC000748346586 574247806 /nfs/dbraw/zinc/24/78/06/574247806.db2.gz NVZVQKCPNUGNPF-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccn(-c2ccccc2)n1 ZINC000748345113 574247932 /nfs/dbraw/zinc/24/79/32/574247932.db2.gz ITDQNTFTPMUQGA-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756573728 574249259 /nfs/dbraw/zinc/24/92/59/574249259.db2.gz BYSVSYSRZLRMIW-OTYXRUKQSA-N 0 0 273.323 2.872 20 10 CFCDRN CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756573730 574249531 /nfs/dbraw/zinc/24/95/31/574249531.db2.gz BYSVSYSRZLRMIW-XPTSAGLGSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756603313 574251748 /nfs/dbraw/zinc/25/17/48/574251748.db2.gz BCHJEDHORYFAPQ-NOZJJQNGSA-N 0 0 297.301 2.956 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756628560 574253111 /nfs/dbraw/zinc/25/31/11/574253111.db2.gz WHIQSXJOEUFGHQ-DMDPSCGWSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000748458816 574254057 /nfs/dbraw/zinc/25/40/57/574254057.db2.gz CUHPJSRYXSZNSR-UHFFFAOYSA-N 0 0 270.332 2.700 20 10 CFCDRN C[C@H](Cc1ccsc1)NC(=O)NCc1ccccc1O ZINC000748461353 574254097 /nfs/dbraw/zinc/25/40/97/574254097.db2.gz WHIYMILZZBKPLM-LLVKDONJSA-N 0 0 290.388 2.884 20 10 CFCDRN C[C@H](NCc1ccon1)c1cc(Cl)ccc1O ZINC000756637079 574254129 /nfs/dbraw/zinc/25/41/29/574254129.db2.gz LWOGUARDCDMGKQ-QMMMGPOBSA-N 0 0 252.701 2.884 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756644802 574254419 /nfs/dbraw/zinc/25/44/19/574254419.db2.gz BZGWTQYPZWEYJZ-AMJWSMQMSA-N 0 0 296.361 2.804 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756650236 574255367 /nfs/dbraw/zinc/25/53/67/574255367.db2.gz UUBRQAXFNCMYQW-QCZZGDTMSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc(F)cc(F)c1[O-] ZINC000756647231 574255393 /nfs/dbraw/zinc/25/53/93/574255393.db2.gz RPTTUWMCFQPSSM-XPTSAGLGSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000756661385 574256573 /nfs/dbraw/zinc/25/65/73/574256573.db2.gz RGRSOPVKXKFBMG-VXGBXAGGSA-N 0 0 293.338 2.626 20 10 CFCDRN CCCCC(=O)NCCCSc1nccs1 ZINC000733881007 574260170 /nfs/dbraw/zinc/26/01/70/574260170.db2.gz VLLMUZIETDLXGK-UHFFFAOYSA-N 0 0 258.412 2.932 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756763965 574261338 /nfs/dbraw/zinc/26/13/38/574261338.db2.gz CDYBGQMBXPRFEE-PSASIEDQSA-N 0 0 295.333 2.984 20 10 CFCDRN C[C@H]([NH2+]CCOC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000756838359 574266722 /nfs/dbraw/zinc/26/67/22/574266722.db2.gz MFPFKJYXKHXMDF-VIFPVBQESA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000740920128 574274139 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CCCN(C[C@H]1CCCCO1)C(=O)Cc1ccc(N)cc1 ZINC000237018470 618370023 /nfs/dbraw/zinc/37/00/23/618370023.db2.gz YXWYVCMHRCRQOZ-MRXNPFEDSA-N 0 0 290.407 2.619 20 10 CFCDRN COc1ccc(N2CC[C@H](N[C@@H](C)c3ncco3)C2)cc1 ZINC000926679052 618406926 /nfs/dbraw/zinc/40/69/26/618406926.db2.gz ADPCJFHMLNHSDW-STQMWFEESA-N 0 0 287.363 2.613 20 10 CFCDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1ccc(N)cc1 ZINC000927767513 618421478 /nfs/dbraw/zinc/42/14/78/618421478.db2.gz FQBVEAZPFUHAEW-UHFFFAOYSA-N 0 0 260.381 2.957 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(C)c2C)c1 ZINC000192541218 618431932 /nfs/dbraw/zinc/43/19/32/618431932.db2.gz BHPASRNFVAVHAC-SNVBAGLBSA-N 0 0 288.347 2.539 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC1CC1 ZINC000066096105 618447601 /nfs/dbraw/zinc/44/76/01/618447601.db2.gz QUZCQDXDCVSTOC-CYBMUJFWSA-N 0 0 291.391 2.946 20 10 CFCDRN CCOc1ccc(CN2c3ccccc3C[C@H]2CO)c(O)c1 ZINC000895245298 618495282 /nfs/dbraw/zinc/49/52/82/618495282.db2.gz YXVWQILJNCLZAT-HNNXBMFYSA-N 0 0 299.370 2.715 20 10 CFCDRN COCC1(C2CCC2)C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895251766 618498076 /nfs/dbraw/zinc/49/80/76/618498076.db2.gz NFSIQIHVSUWDMV-UHFFFAOYSA-N 0 0 297.345 2.919 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1C[C@H]1C1CC1 ZINC000895261167 618501567 /nfs/dbraw/zinc/50/15/67/618501567.db2.gz CPKQQQGQDWOWEW-RYUDHWBXSA-N 0 0 294.782 2.891 20 10 CFCDRN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1O ZINC000841296239 618569487 /nfs/dbraw/zinc/56/94/87/618569487.db2.gz RIQXQTYZQRETIZ-ZIAGYGMSSA-N 0 0 291.395 2.530 20 10 CFCDRN COCC1(C2CC2)C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895439520 618587617 /nfs/dbraw/zinc/58/76/17/618587617.db2.gz CRFFYHFHFXTMSH-UHFFFAOYSA-N 0 0 283.318 2.529 20 10 CFCDRN CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000077453271 618605614 /nfs/dbraw/zinc/60/56/14/618605614.db2.gz WDAXMNKIVLZXIR-JTQLQIEISA-N 0 0 278.179 2.950 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(O)ccc1Cl ZINC000236555663 618633339 /nfs/dbraw/zinc/63/33/39/618633339.db2.gz GCFLMXFIHDGYBR-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C)CC1(F)F ZINC000935944983 618713452 /nfs/dbraw/zinc/71/34/52/618713452.db2.gz GSZBBMKSDFVZNP-CYBMUJFWSA-N 0 0 290.306 2.539 20 10 CFCDRN CCCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000158969958 618755355 /nfs/dbraw/zinc/75/53/55/618755355.db2.gz NNTDOTYWZODYJI-UHFFFAOYSA-N 0 0 285.343 2.980 20 10 CFCDRN CCCc1nc(CN[C@H](C)c2cc(OC)ccc2O)no1 ZINC000182367762 625291081 /nfs/dbraw/zinc/29/10/81/625291081.db2.gz ULTXMMLALMMVDV-SNVBAGLBSA-N 0 0 291.351 2.587 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840895133 618769284 /nfs/dbraw/zinc/76/92/84/618769284.db2.gz XPAPSNWVXNDBNZ-SRVKXCTJSA-N 0 0 294.351 2.502 20 10 CFCDRN CC[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000182386851 625294774 /nfs/dbraw/zinc/29/47/74/625294774.db2.gz GBZUZWQPPLIJQY-GFCCVEGCSA-N 0 0 292.404 2.656 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)cc1 ZINC000183462369 618906035 /nfs/dbraw/zinc/90/60/35/618906035.db2.gz NMOHJTJTVCOXDI-JTQLQIEISA-N 0 0 289.306 2.598 20 10 CFCDRN CC(C)(CNC(=O)c1cccc(O)c1O)C1=CCCC1 ZINC000312251881 618914974 /nfs/dbraw/zinc/91/49/74/618914974.db2.gz DECXRKFWALBEET-UHFFFAOYSA-N 0 0 275.348 2.964 20 10 CFCDRN CC(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)ccc1C ZINC000194368322 618935205 /nfs/dbraw/zinc/93/52/05/618935205.db2.gz ZPBYSHRNAHLAMR-UHFFFAOYSA-N 0 0 299.326 2.539 20 10 CFCDRN COc1ccc(N(C)Cc2nccnc2C)cc1F ZINC000857038483 618950008 /nfs/dbraw/zinc/95/00/08/618950008.db2.gz VXBBZNNNQHMFSD-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN CC1(C)COC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000313018339 618971918 /nfs/dbraw/zinc/97/19/18/618971918.db2.gz HZPVSGULNLOQGB-NSHDSACASA-N 0 0 255.745 2.560 20 10 CFCDRN C[C@]12CCN(C(=O)C3=CC(=O)CS3)C[C@H]1C2(F)F ZINC000832401182 625319457 /nfs/dbraw/zinc/31/94/57/625319457.db2.gz RYXYEIZJCJNKCG-KOLCDFICSA-N 0 0 273.304 2.571 20 10 CFCDRN COc1cc(Cl)cc(C[NH2+]CC2(C)CC2)c1O ZINC000230935127 619168675 /nfs/dbraw/zinc/16/86/75/619168675.db2.gz UIJGWZUOEQSFGV-UHFFFAOYSA-N 0 0 255.745 2.944 20 10 CFCDRN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000840978057 619207216 /nfs/dbraw/zinc/20/72/16/619207216.db2.gz KZMURXFESCAXBV-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000840980292 619209796 /nfs/dbraw/zinc/20/97/96/619209796.db2.gz WVYKLYBWOXOCCT-CMPLNLGQSA-N 0 0 269.772 2.638 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCOCC1 ZINC000310375015 619276858 /nfs/dbraw/zinc/27/68/58/619276858.db2.gz ZHPOLIAHUNFQRR-LLVKDONJSA-N 0 0 255.745 2.704 20 10 CFCDRN COc1cc(C)cc(CNc2ccc(N(C)C)cn2)c1O ZINC000894344820 619342664 /nfs/dbraw/zinc/34/26/64/619342664.db2.gz BUBBMQRTNJUHMY-UHFFFAOYSA-N 0 0 287.363 2.782 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3nccs3)C2)cc1 ZINC000894484353 619398516 /nfs/dbraw/zinc/39/85/16/619398516.db2.gz GIHIMHQIYYKCCQ-LLVKDONJSA-N 0 0 275.377 2.843 20 10 CFCDRN C[C@H]1CCSCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894555887 619415046 /nfs/dbraw/zinc/41/50/46/619415046.db2.gz PGJWJRFXBHPBKY-VIFPVBQESA-N 0 0 273.348 2.998 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000894689764 619444523 /nfs/dbraw/zinc/44/45/23/619444523.db2.gz HXIKROFMUVVVLU-ZIAGYGMSSA-N 0 0 283.318 2.814 20 10 CFCDRN Nc1ccc(NC(=O)N2CCOC[C@@H]2CC2CCC2)cc1 ZINC000841299788 619545034 /nfs/dbraw/zinc/54/50/34/619545034.db2.gz OBDZMNFLMRBPQB-HNNXBMFYSA-N 0 0 289.379 2.692 20 10 CFCDRN Nc1ccc(NC(=O)N2CCOC[C@H](C3CCC3)C2)cc1 ZINC000841299675 619545043 /nfs/dbraw/zinc/54/50/43/619545043.db2.gz MHAKLNAHYAEJNG-CYBMUJFWSA-N 0 0 289.379 2.549 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](C)CO1 ZINC000895525866 619547173 /nfs/dbraw/zinc/54/71/73/619547173.db2.gz BXBOOGRXUZOBDR-CZUORRHYSA-N 0 0 290.407 2.526 20 10 CFCDRN CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000895577597 619558696 /nfs/dbraw/zinc/55/86/96/619558696.db2.gz OFRHIGAHLPJALK-GFCCVEGCSA-N 0 0 275.270 2.545 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000895593685 619565792 /nfs/dbraw/zinc/56/57/92/619565792.db2.gz XIRUDGDXHKLPOF-LBPRGKRZSA-N 0 0 295.766 2.579 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@]23CCCO3)ccc(F)c1F ZINC000895679705 619581361 /nfs/dbraw/zinc/58/13/61/619581361.db2.gz HHBXZYOVLSCXRC-DOMZBBRYSA-N 0 0 283.318 2.862 20 10 CFCDRN CCN(CC)c1ccc(CN2CCc3ncncc3C2)cc1 ZINC000895722841 619591249 /nfs/dbraw/zinc/59/12/49/619591249.db2.gz LMHSWJHTAQYOLK-UHFFFAOYSA-N 0 0 296.418 2.881 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779414 619605896 /nfs/dbraw/zinc/60/58/96/619605896.db2.gz NZDNICCPSBVLJB-DTORHVGOSA-N 0 0 287.787 2.980 20 10 CFCDRN CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895921981 619634796 /nfs/dbraw/zinc/63/47/96/619634796.db2.gz DUPPLWVDUGBDFF-LBPRGKRZSA-N 0 0 285.334 2.653 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc(F)c1F ZINC000896596056 619771218 /nfs/dbraw/zinc/77/12/18/619771218.db2.gz BUSNCNGSVVRKTM-CYBMUJFWSA-N 0 0 291.301 2.701 20 10 CFCDRN C[C@]1(Br)C[C@H]1C[NH2+]Cc1c([O-])cccc1F ZINC000896644819 619778210 /nfs/dbraw/zinc/77/82/10/619778210.db2.gz ZKHITANNLOYWPZ-UFBFGSQYSA-N 0 0 288.160 2.794 20 10 CFCDRN COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1c([O-])cccc1F ZINC000896637119 619780040 /nfs/dbraw/zinc/78/00/40/619780040.db2.gz HPJXGKGZADYCDW-LLVKDONJSA-N 0 0 297.370 2.989 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000896640714 619781465 /nfs/dbraw/zinc/78/14/65/619781465.db2.gz MYGIHYGBDDGTTP-UHFFFAOYSA-N 0 0 273.307 2.756 20 10 CFCDRN COc1cncc(C[NH2+]Cc2c([O-])cccc2F)c1C ZINC000896641197 619782210 /nfs/dbraw/zinc/78/22/10/619782210.db2.gz LZRVLSAIAINSBY-UHFFFAOYSA-N 0 0 276.311 2.533 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896855834 619844188 /nfs/dbraw/zinc/84/41/88/619844188.db2.gz XDQHCSVQUTYNEI-UHTWSYAYSA-N 0 0 279.767 2.726 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000897296565 619971839 /nfs/dbraw/zinc/97/18/39/619971839.db2.gz XWRPCQYRYYDRQG-PHIMTYICSA-N 0 0 292.335 2.848 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1cccnc1 ZINC000928704508 619994938 /nfs/dbraw/zinc/99/49/38/619994938.db2.gz AHWZVIHJPFOTMX-UHFFFAOYSA-N 0 0 288.322 2.520 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc(O)c(C)c2)c(O)c1O ZINC000182881010 625388850 /nfs/dbraw/zinc/38/88/50/625388850.db2.gz YNZFLDIRTLLGJA-UHFFFAOYSA-N 0 0 273.288 2.673 20 10 CFCDRN CN(C)c1ccc(CNC(=S)NC2(C)CCC2)cc1F ZINC000840726232 620032621 /nfs/dbraw/zinc/03/26/21/620032621.db2.gz FSQRILKTJADSLO-UHFFFAOYSA-N 0 0 295.427 2.798 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CC(C)C)c1 ZINC000728984071 620048088 /nfs/dbraw/zinc/04/80/88/620048088.db2.gz JTWIZMNDKOZYNW-JTQLQIEISA-N 0 0 251.326 2.624 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)CC(C)C)c(O)c1O ZINC000182888933 625392647 /nfs/dbraw/zinc/39/26/47/625392647.db2.gz PBFRUFAXWKZNEV-JTQLQIEISA-N 0 0 251.326 2.571 20 10 CFCDRN Cc1ccc(C(=O)NCC2(C3CC3)CCC2)c(O)c1O ZINC000182888799 625392993 /nfs/dbraw/zinc/39/29/93/625392993.db2.gz CGQAEDQUORPJHN-UHFFFAOYSA-N 0 0 275.348 2.716 20 10 CFCDRN CCC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996816 620109805 /nfs/dbraw/zinc/10/98/05/620109805.db2.gz BPAAPZONTFMZPN-ZKKXHLJNSA-N 0 0 276.380 2.609 20 10 CFCDRN C[C@H](N[C@@H](C)c1ccc(Cl)cc1O)c1ncnn1C ZINC000841751886 620217589 /nfs/dbraw/zinc/21/75/89/620217589.db2.gz LETPFLHWYOIXHD-IUCAKERBSA-N 0 0 280.759 2.586 20 10 CFCDRN CC1(C)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897972181 620306238 /nfs/dbraw/zinc/30/62/38/620306238.db2.gz LXANHHSTBQORFZ-LBPRGKRZSA-N 0 0 277.345 2.841 20 10 CFCDRN CC1(C)CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000898048922 620321580 /nfs/dbraw/zinc/32/15/80/620321580.db2.gz FSBZABQZGOHBNI-CYBMUJFWSA-N 0 0 294.351 2.738 20 10 CFCDRN Cc1nc(C[NH2+]Cc2cccc(Cl)c2[O-])[nH]c1C ZINC000898214376 620346354 /nfs/dbraw/zinc/34/63/54/620346354.db2.gz BGPKWXKKHBGDEG-UHFFFAOYSA-N 0 0 265.744 2.675 20 10 CFCDRN COc1ccc(N(CC[S@@](C)=O)[C@H](C)C2CC2)cc1 ZINC000787728116 620415742 /nfs/dbraw/zinc/41/57/42/620415742.db2.gz BSRTWKUQLAFVMA-CWTRNNRKSA-N 0 0 281.421 2.679 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(F)cc(F)c1[O-] ZINC000926936443 620427518 /nfs/dbraw/zinc/42/75/18/620427518.db2.gz KDTYKXPXSNJOSQ-KQXIARHKSA-N 0 0 295.329 2.912 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927015342 620439797 /nfs/dbraw/zinc/43/97/97/620439797.db2.gz AWZHFJAQSXHYPE-NHYWBVRUSA-N 0 0 294.351 2.910 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000927020053 620440565 /nfs/dbraw/zinc/44/05/65/620440565.db2.gz WEGDGJVFHJGCOJ-ZYHUDNBSSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1c([O-])cccc1F ZINC000927051358 620446131 /nfs/dbraw/zinc/44/61/31/620446131.db2.gz HSVXNMMIXYHGRW-MHWZDGSBSA-N 0 0 295.354 2.864 20 10 CFCDRN CN(C)c1cc(F)c(C[NH2+]C/C=C\Cl)cc1F ZINC000898428494 620461016 /nfs/dbraw/zinc/46/10/16/620461016.db2.gz IQFJSQYXUFXSOE-ARJAWSKDSA-N 0 0 260.715 2.873 20 10 CFCDRN C[C@]12CSC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000898420486 620461882 /nfs/dbraw/zinc/46/18/82/620461882.db2.gz TUPIRDBGLXETSW-YGRLFVJLSA-N 0 0 285.359 2.855 20 10 CFCDRN Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1O ZINC000179406062 620987868 /nfs/dbraw/zinc/98/78/68/620987868.db2.gz FPCKCVPCAPBHQM-NSHDSACASA-N 0 0 283.327 2.998 20 10 CFCDRN CCOc1ccc(CNc2cnc(C)cn2)c(O)c1 ZINC000902210736 620993491 /nfs/dbraw/zinc/99/34/91/620993491.db2.gz ZBXYTUVFEAIKQV-UHFFFAOYSA-N 0 0 259.309 2.501 20 10 CFCDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ncn1 ZINC000902196077 620995995 /nfs/dbraw/zinc/99/59/95/620995995.db2.gz OZOZXJZLNBMEBX-UHFFFAOYSA-N 0 0 278.306 2.741 20 10 CFCDRN CC(C)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000903066767 621239521 /nfs/dbraw/zinc/23/95/21/621239521.db2.gz XDTPZRUATWKFSX-QMTHXVAHSA-N 0 0 292.358 2.708 20 10 CFCDRN C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(F)cc1[O-] ZINC000903257849 621301653 /nfs/dbraw/zinc/30/16/53/621301653.db2.gz MDMZXNOAPCCMNS-LLVKDONJSA-N 0 0 279.355 2.877 20 10 CFCDRN COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000903332049 621341739 /nfs/dbraw/zinc/34/17/39/621341739.db2.gz PGGNZQUWTUXYJV-UWVGGRQHSA-N 0 0 255.333 2.995 20 10 CFCDRN COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903332048 621341971 /nfs/dbraw/zinc/34/19/71/621341971.db2.gz PGGNZQUWTUXYJV-NXEZZACHSA-N 0 0 255.333 2.995 20 10 CFCDRN COC(C)(C)[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903332051 621341996 /nfs/dbraw/zinc/34/19/96/621341996.db2.gz PGGNZQUWTUXYJV-ZJUUUORDSA-N 0 0 255.333 2.995 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(F)cc1[O-] ZINC000903393462 621352219 /nfs/dbraw/zinc/35/22/19/621352219.db2.gz NNPPPJVLVJAOPY-JIMOISOXSA-N 0 0 253.317 2.607 20 10 CFCDRN CCCCN(O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000904163444 621533793 /nfs/dbraw/zinc/53/37/93/621533793.db2.gz SKNMTESYPFKSOL-UHFFFAOYSA-N 0 0 291.395 2.988 20 10 CFCDRN CC(C)(C)c1coc(CNC(=O)Nc2ccc(N)cc2)n1 ZINC000904499983 621602415 /nfs/dbraw/zinc/60/24/15/621602415.db2.gz 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625611162 /nfs/dbraw/zinc/61/11/62/625611162.db2.gz JFGLNUVWHSZJPP-AORWBKJGSA-N 0 0 287.359 2.974 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCCOC(C)(C)C ZINC000822023125 623020128 /nfs/dbraw/zinc/02/01/28/623020128.db2.gz MMJSLSDTGIJLRI-UHFFFAOYSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCCCNC(=O)CN(C)c1ccc(OCC)cc1 ZINC000157314170 623028623 /nfs/dbraw/zinc/02/86/23/623028623.db2.gz GSVTWXNYTYNMHX-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN CN1C(=O)/C(=C/c2cc(F)cc(F)c2)SC1=S ZINC000157379903 623030431 /nfs/dbraw/zinc/03/04/31/623030431.db2.gz XHDUZZAGRPCYSL-WTKPLQERSA-N 0 0 271.313 2.796 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2cccnc2)cc1F ZINC000058515106 623051323 /nfs/dbraw/zinc/05/13/23/623051323.db2.gz DVWOYKOPQNWGAR-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN Cc1cc(CNCc2cc(Br)ccc2O)no1 ZINC000226036793 623053795 /nfs/dbraw/zinc/05/37/95/623053795.db2.gz PWSKCTSMBPKBCC-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822278437 623069185 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ZINC000063618014 623367547 /nfs/dbraw/zinc/36/75/47/623367547.db2.gz UAIGKWFTSFXHEU-UHFFFAOYSA-N 0 0 276.336 2.945 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCCCO2)cc1OC ZINC000063616806 623367845 /nfs/dbraw/zinc/36/78/45/623367845.db2.gz UIMWLWIQZZQLMJ-ZDUSSCGKSA-N 0 0 265.353 2.709 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)no2)cc1OC ZINC000063617075 623367887 /nfs/dbraw/zinc/36/78/87/623367887.db2.gz DCQGOWRZJOBPCV-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC12CC2 ZINC000823872584 623411651 /nfs/dbraw/zinc/41/16/51/623411651.db2.gz DXKVHOMIQNZUQS-OAHLLOKOSA-N 0 0 286.375 2.623 20 10 CFCDRN C[C@@H](NCc1ccccc1O)c1nc(C(C)(C)C)no1 ZINC000174662483 623467849 /nfs/dbraw/zinc/46/78/49/623467849.db2.gz FSTXLBOGWLWFQX-SNVBAGLBSA-N 0 0 275.352 2.924 20 10 CFCDRN C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000757649448 623492683 /nfs/dbraw/zinc/49/26/83/623492683.db2.gz VXMOXDRPXNRYAH-MRVPVSSYSA-N 0 0 291.269 2.949 20 10 CFCDRN CC[C@@H](NCc1cc(OC)c(OC)cc1O)C(F)F ZINC000824510149 623514189 /nfs/dbraw/zinc/51/41/89/623514189.db2.gz ROJVMWXLOWQLHT-SECBINFHSA-N 0 0 275.295 2.543 20 10 CFCDRN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000824635837 623536023 /nfs/dbraw/zinc/53/60/23/623536023.db2.gz JOKVYNOXXBRARW-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824702800 623548611 /nfs/dbraw/zinc/54/86/11/623548611.db2.gz QEVGCHQZNYNSDR-QMMMGPOBSA-N 0 0 275.751 2.824 20 10 CFCDRN CCCC1(CNC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000151759884 623563378 /nfs/dbraw/zinc/56/33/78/623563378.db2.gz XPTKONIYDGKHJQ-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000824800510 623568803 /nfs/dbraw/zinc/56/88/03/623568803.db2.gz YOOFOGOKCABOII-JTQLQIEISA-N 0 0 286.278 2.825 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000824815570 623571324 /nfs/dbraw/zinc/57/13/24/623571324.db2.gz TYTXBSHQDFHTAH-MFKMUULPSA-N 0 0 269.772 2.902 20 10 CFCDRN CCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)COC1 ZINC000825079412 623624375 /nfs/dbraw/zinc/62/43/75/623624375.db2.gz SENWOKWADGEDSG-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)O[C@@H]1CCOC1 ZINC000913878480 623632037 /nfs/dbraw/zinc/63/20/37/623632037.db2.gz UGUGMLRQVUZOBE-OAHLLOKOSA-N 0 0 292.379 2.500 20 10 CFCDRN CCOc1ccc(N(C)Cc2ncc(C)cn2)cc1 ZINC000760843182 623686460 /nfs/dbraw/zinc/68/64/60/623686460.db2.gz HVXOPZDAGCHBNT-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000825450544 623695755 /nfs/dbraw/zinc/69/57/55/623695755.db2.gz ICSAHAZSQHROEX-NWDGAFQWSA-N 0 0 283.799 2.947 20 10 CFCDRN CN(Cc1c(C2CC2)cnn1C)c1ccc2c(c1)OCO2 ZINC000825467912 623699372 /nfs/dbraw/zinc/69/93/72/623699372.db2.gz BDKPGJAKWDINSE-UHFFFAOYSA-N 0 0 285.347 2.663 20 10 CFCDRN Cc1ccc(CCNC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000152472253 623711763 /nfs/dbraw/zinc/71/17/63/623711763.db2.gz AWLOATINEVNVSE-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN C[C@]1(CC(=O)NCc2ccccc2O)CC1(Cl)Cl ZINC000825658610 623731773 /nfs/dbraw/zinc/73/17/73/623731773.db2.gz LFGGKPDIODAWBR-LBPRGKRZSA-N 0 0 288.174 2.982 20 10 CFCDRN CCC[C@@H](OC)C(=O)N(CCC)Cc1ccccc1O ZINC000825678623 623737734 /nfs/dbraw/zinc/73/77/34/623737734.db2.gz GVZNHQMIAKBDJT-OAHLLOKOSA-N 0 0 279.380 2.946 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1 ZINC000825840449 623759935 /nfs/dbraw/zinc/75/99/35/623759935.db2.gz TWXIFAWYWDXIAY-BXUZGUMPSA-N 0 0 277.364 2.699 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC(C)C)cc1Cl ZINC000826097138 623793405 /nfs/dbraw/zinc/79/34/05/623793405.db2.gz PTCILNFQMBXYIY-JTQLQIEISA-N 0 0 285.771 2.784 20 10 CFCDRN Cc1noc(CN(C)Cc2cc(Cl)c(C)cc2O)n1 ZINC000826539537 623808173 /nfs/dbraw/zinc/80/81/73/623808173.db2.gz VKRVTVQUHWMENJ-UHFFFAOYSA-N 0 0 281.743 2.677 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N2CCCCC2)cc1 ZINC000914459958 623868760 /nfs/dbraw/zinc/86/87/60/623868760.db2.gz DJBFTBNBXCAGFQ-UHFFFAOYSA-N 0 0 275.396 2.790 20 10 CFCDRN 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289.375 2.775 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccccc1O ZINC000827923283 624128745 /nfs/dbraw/zinc/12/87/45/624128745.db2.gz NUNQSKVMSDOKGX-TZMCWYRMSA-N 0 0 297.354 2.821 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccccc1O ZINC000827923709 624128844 /nfs/dbraw/zinc/12/88/44/624128844.db2.gz XUUYWKSEPATISQ-VXNVDRBHSA-N 0 0 274.147 2.763 20 10 CFCDRN C[C@@H](NC(=O)CCC1CCOCC1)c1ccccc1O ZINC000827937037 624131548 /nfs/dbraw/zinc/13/15/48/624131548.db2.gz ITVWAHPTXWGTGW-GFCCVEGCSA-N 0 0 277.364 2.776 20 10 CFCDRN Cc1cncc(CCC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827946709 624134815 /nfs/dbraw/zinc/13/48/15/624134815.db2.gz PQERCHQUASGDST-CYBMUJFWSA-N 0 0 284.359 2.906 20 10 CFCDRN C[C@@H](NC(=O)CSC(F)F)c1ccccc1O ZINC000827952355 624137164 /nfs/dbraw/zinc/13/71/64/624137164.db2.gz PBYXIHTXGQYJSA-SSDOTTSWSA-N 0 0 261.293 2.525 20 10 CFCDRN C[C@H](NC(=O)c1cnc2n1CCCCC2)c1ccccc1O ZINC000827960113 624139643 /nfs/dbraw/zinc/13/96/43/624139643.db2.gz JISCXMPWYSZNLF-LBPRGKRZSA-N 0 0 299.374 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271.320 2.671 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC3(C2)CCCC3)cc1 ZINC000778254265 628292706 /nfs/dbraw/zinc/29/27/06/628292706.db2.gz VUOHVJXNFQDVFU-UHFFFAOYSA-N 0 0 287.407 2.838 20 10 CFCDRN CC1(C)C[C@H](NC(=O)C2=CC(=O)CS2)C(C)(C)O1 ZINC000778517656 628312154 /nfs/dbraw/zinc/31/21/54/628312154.db2.gz MBOSJANHGIMRQA-JTQLQIEISA-N 0 0 269.366 2.530 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2cnccc21 ZINC000778928801 628340452 /nfs/dbraw/zinc/34/04/52/628340452.db2.gz BQBMYJHRMKYVJZ-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN C[S@@](=O)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000779042727 628348423 /nfs/dbraw/zinc/34/84/23/628348423.db2.gz JATFPWZPXGVBDL-LJQANCHMSA-N 0 0 279.336 2.881 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779079859 628350369 /nfs/dbraw/zinc/35/03/69/628350369.db2.gz PTNOKBLRQMXPJW-JQWIXIFHSA-N 0 0 294.351 2.909 20 10 CFCDRN CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779219076 628360893 /nfs/dbraw/zinc/36/08/93/628360893.db2.gz 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/nfs/dbraw/zinc/84/36/88/628843688.db2.gz WYCREWMKLVEIMW-MEDUHNTESA-N 0 0 292.331 2.506 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000784894035 628849592 /nfs/dbraw/zinc/84/95/92/628849592.db2.gz QFRSYPAMOOLUKN-ZFWWWQNUSA-N 0 0 290.407 2.747 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCC(C)(C)O1)c1ccc(N(C)C)cc1 ZINC000784892601 628849706 /nfs/dbraw/zinc/84/97/06/628849706.db2.gz FMIIDGMSCHKQFF-DOMZBBRYSA-N 0 0 290.407 2.887 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1c(F)ccc(O)c1O ZINC000839807782 628869323 /nfs/dbraw/zinc/86/93/23/628869323.db2.gz UCNZRWJLZZFXTP-QWRGUYRKSA-N 0 0 293.338 2.793 20 10 CFCDRN Cn1c(=O)ccc2ccc(NCc3ccccc3O)cc21 ZINC000785538161 628892221 /nfs/dbraw/zinc/89/22/21/628892221.db2.gz YBQJRYLYNROKAJ-UHFFFAOYSA-N 0 0 280.327 2.856 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]c(=O)c2ccccc12 ZINC000787131309 628995354 /nfs/dbraw/zinc/99/53/54/628995354.db2.gz MOEBWVKVXNAIJI-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN COc1cccc(CNC(=O)Cc2ccsc2C)c1O ZINC000787132221 628995596 /nfs/dbraw/zinc/99/55/96/628995596.db2.gz WWCGXAWZVBCBIO-UHFFFAOYSA-N 0 0 291.372 2.630 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2Cc3cccnc3C2)c1O ZINC000787669974 629025008 /nfs/dbraw/zinc/02/50/08/629025008.db2.gz MLKSHZLMCZNPQU-UHFFFAOYSA-N 0 0 286.306 2.645 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000788265783 629054660 /nfs/dbraw/zinc/05/46/60/629054660.db2.gz IIDFRZAYVTYFLM-UHFFFAOYSA-N 0 0 283.677 2.556 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(Cl)cn2)c(OC)c1 ZINC000788485565 629073968 /nfs/dbraw/zinc/07/39/68/629073968.db2.gz NKNBTGIGEBRWMA-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000788574800 629083302 /nfs/dbraw/zinc/08/33/02/629083302.db2.gz AWRBRHABFJBOKK-FNORWQNLSA-N 0 0 290.319 2.627 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2ncnn2C)cc1 ZINC000788984791 629113847 /nfs/dbraw/zinc/11/38/47/629113847.db2.gz UBDKAWMOLNPMCI-CHWSQXEVSA-N 0 0 287.411 2.683 20 10 CFCDRN CCCCC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000789575099 629167435 /nfs/dbraw/zinc/16/74/35/629167435.db2.gz IUFXCRXCSOZBBI-MRXNPFEDSA-N 0 0 292.423 2.964 20 10 CFCDRN CCCn1ncnc1CN1CCCc2cc(OC)ccc21 ZINC000790267525 629223954 /nfs/dbraw/zinc/22/39/54/629223954.db2.gz UCWVPRLFMIJFMG-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN O=C(NC1(C(F)F)CCCC1)C1=CC(=O)CS1 ZINC000854491275 635315263 /nfs/dbraw/zinc/31/52/63/635315263.db2.gz DGPPALPZRCVLTE-UHFFFAOYSA-N 0 0 261.293 2.761 20 10 CFCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cccc(O)c2O)o1 ZINC000790554482 629247360 /nfs/dbraw/zinc/24/73/60/629247360.db2.gz OCGAYKCULJYIRJ-BXKDBHETSA-N 0 0 287.315 2.744 20 10 CFCDRN O=C(N[C@H]1CSc2ccccc21)c1cccc(O)c1O ZINC000790739531 629259400 /nfs/dbraw/zinc/25/94/00/629259400.db2.gz DBTOVQJPMBSLFN-NSHDSACASA-N 0 0 287.340 2.675 20 10 CFCDRN Cc1c(NC(=O)c2cccc(O)c2O)cnn1CC(C)C ZINC000790911311 629271135 /nfs/dbraw/zinc/27/11/35/629271135.db2.gz GDGFPLRUTTXYHJ-UHFFFAOYSA-N 0 0 289.335 2.511 20 10 CFCDRN CS[C@@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000790926878 629271845 /nfs/dbraw/zinc/27/18/45/629271845.db2.gz QXTRPJISAKXSMA-NSHDSACASA-N 0 0 283.393 2.605 20 10 CFCDRN Cc1c(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cnn1C ZINC000790938881 629272885 /nfs/dbraw/zinc/27/28/85/629272885.db2.gz OPFZWNDUMRHVOJ-UHFFFAOYSA-N 0 0 297.761 2.859 20 10 CFCDRN C[C@H](Cn1ccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790949277 629273482 /nfs/dbraw/zinc/27/34/82/629273482.db2.gz FWJVGTNRTDRBFZ-SECBINFHSA-N 0 0 283.734 2.560 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790949837 629273609 /nfs/dbraw/zinc/27/36/09/629273609.db2.gz PMSWXSSICMODCV-OLZOCXBDSA-N 0 0 298.789 2.901 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962497 629275113 /nfs/dbraw/zinc/27/51/13/629275113.db2.gz NKFFKGYOSTXLBH-SECBINFHSA-N 0 0 275.751 2.681 20 10 CFCDRN Cn1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790974363 629276159 /nfs/dbraw/zinc/27/61/59/629276159.db2.gz SPDNJKLHYSCARU-UHFFFAOYSA-N 0 0 268.719 2.813 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccncc1 ZINC000790976900 629276502 /nfs/dbraw/zinc/27/65/02/629276502.db2.gz OYUYPDCTIPKNMA-UHFFFAOYSA-N 0 0 280.730 2.912 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c[nH]c2cccnc12 ZINC000791205859 629292831 /nfs/dbraw/zinc/29/28/31/629292831.db2.gz RSQOCJXHJAKDQQ-UHFFFAOYSA-N 0 0 281.315 2.541 20 10 CFCDRN Cc1ccnc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000791414482 629311683 /nfs/dbraw/zinc/31/16/83/629311683.db2.gz HNKOCEBWZYQGEC-HWKANZROSA-N 0 0 285.299 2.558 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C)CC(F)F)cc1 ZINC000835026713 629323875 /nfs/dbraw/zinc/32/38/75/629323875.db2.gz FNUQWXOUMVBBTG-SNAWJCMRSA-N 0 0 254.324 2.963 20 10 CFCDRN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000835026432 629324398 /nfs/dbraw/zinc/32/43/98/629324398.db2.gz WAKBGXUAFRYYFP-XEVLESSRSA-N 0 0 274.408 2.875 20 10 CFCDRN CC(C)OC(=O)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055088 629358318 /nfs/dbraw/zinc/35/83/18/629358318.db2.gz QPNFJEPLWJVRTN-AFNCTOJWSA-N 0 0 290.407 2.696 20 10 CFCDRN CCC1C[NH+](Cc2cccc(Br)c2[O-])C1 ZINC000835075530 629372871 /nfs/dbraw/zinc/37/28/71/629372871.db2.gz VSJPMZQPFIOVBT-UHFFFAOYSA-N 0 0 270.170 2.997 20 10 CFCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000835088610 629388773 /nfs/dbraw/zinc/38/87/73/629388773.db2.gz XIQUCUHYSGPDAP-IUCAKERBSA-N 0 0 273.735 2.842 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCCCCF ZINC000792039098 629391415 /nfs/dbraw/zinc/39/14/15/629391415.db2.gz DIRWZZJHPUBCJH-ALCCZGGFSA-N 0 0 268.284 2.794 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CCO)CC1 ZINC000792162097 629404281 /nfs/dbraw/zinc/40/42/81/629404281.db2.gz CXCSCLKQJPMGSD-UHFFFAOYSA-N 0 0 287.762 2.779 20 10 CFCDRN CC[C@]1(CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180326 629407148 /nfs/dbraw/zinc/40/71/48/629407148.db2.gz QILYWPBQHUJCII-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CCN1CN(Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000792195024 629408456 /nfs/dbraw/zinc/40/84/56/629408456.db2.gz CPMJLDCUFMKSRW-UHFFFAOYSA-N 0 0 296.370 2.681 20 10 CFCDRN CC[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCOC1 ZINC000792193760 629408635 /nfs/dbraw/zinc/40/86/35/629408635.db2.gz ZOJLFKOTVZZTCQ-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ncccn2)cc1 ZINC000792246300 629414518 /nfs/dbraw/zinc/41/45/18/629414518.db2.gz AGKYGDVDVCUNFQ-UHFFFAOYSA-N 0 0 257.337 2.902 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000792834302 629456707 /nfs/dbraw/zinc/45/67/07/629456707.db2.gz GGXQGEARPQSRMI-DGCLKSJQSA-N 0 0 292.379 2.779 20 10 CFCDRN CC(C)(NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000793255193 629515358 /nfs/dbraw/zinc/51/53/58/629515358.db2.gz NJFMGXSWRDUZHZ-UHFFFAOYSA-N 0 0 284.350 2.657 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000793275716 629518000 /nfs/dbraw/zinc/51/80/00/629518000.db2.gz YDMRCIULKFEGGW-NWDGAFQWSA-N 0 0 292.379 2.636 20 10 CFCDRN CCCN(CCC)c1ccc(CN[C@H](C)C(=O)OC)cc1 ZINC000793360931 629530810 /nfs/dbraw/zinc/53/08/10/629530810.db2.gz IAPLBGDOCDAOPW-CQSZACIVSA-N 0 0 292.423 2.964 20 10 CFCDRN Cc1cc(C)c(O)c(CN(C)Cc2nncn2C(C)C)c1 ZINC000793811249 629597371 /nfs/dbraw/zinc/59/73/71/629597371.db2.gz TXDYFPQSFNDFLQ-UHFFFAOYSA-N 0 0 288.395 2.813 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ncccc2Cl)cc1 ZINC000794210413 629622566 /nfs/dbraw/zinc/62/25/66/629622566.db2.gz HZPXNADTKSEOJK-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN CCc1cccc(CC(=O)NCc2ccc(OC)cc2O)c1 ZINC000794376154 629641358 /nfs/dbraw/zinc/64/13/58/629641358.db2.gz BIGZMGRVYIESRW-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN COc1ccc(CNC(=O)c2cc3ccccc3[nH]2)c(O)c1 ZINC000794382580 629642071 /nfs/dbraw/zinc/64/20/71/629642071.db2.gz CWULAJXUJWSEOD-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(CNC(=O)/C=C\c2ccsc2)c(O)c1 ZINC000794383299 629642238 /nfs/dbraw/zinc/64/22/38/629642238.db2.gz KWAZHSOQQTULQB-DJWKRKHSSA-N 0 0 289.356 2.792 20 10 CFCDRN COc1ccc(CNC(=O)C2=CCCCCC2)c(O)c1 ZINC000794380394 629642294 /nfs/dbraw/zinc/64/22/94/629642294.db2.gz BKVVXAOMGWIIJA-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN COc1ccc(CNC(=O)CCc2ccccc2C)c(O)c1 ZINC000794387760 629642600 /nfs/dbraw/zinc/64/26/00/629642600.db2.gz LOOADJNJZDLHQK-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794390414 629642615 /nfs/dbraw/zinc/64/26/15/629642615.db2.gz JHDNQTFQNJMTHR-MNOVXSKESA-N 0 0 265.353 2.699 20 10 CFCDRN CCc1ccc(CC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794390530 629643008 /nfs/dbraw/zinc/64/30/08/629643008.db2.gz KRPIGRURDRMPRW-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN CN(C)c1ccc(CN2C[C@@H](CO)Cc3ccccc32)cc1 ZINC000794581054 629663957 /nfs/dbraw/zinc/66/39/57/629663957.db2.gz XTPXLNXDEJFLCO-INIZCTEOSA-N 0 0 296.414 2.924 20 10 CFCDRN COc1ccc(CNc2nc3ccccc3c(=O)[nH]2)c(O)c1 ZINC000795286077 629756933 /nfs/dbraw/zinc/75/69/33/629756933.db2.gz YZPIUHBXWCQKSB-UHFFFAOYSA-N 0 0 297.314 2.662 20 10 CFCDRN COc1ccc(CNc2cc(C(C)C)ncn2)c(O)c1 ZINC000795283562 629756963 /nfs/dbraw/zinc/75/69/63/629756963.db2.gz BSOSZCNTSJKLLG-UHFFFAOYSA-N 0 0 273.336 2.926 20 10 CFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccsc1 ZINC000795352762 629765175 /nfs/dbraw/zinc/76/51/75/629765175.db2.gz JULBCVGPNZMYLN-UHFFFAOYSA-N 0 0 283.374 2.817 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C=CCC1 ZINC000852507645 634764722 /nfs/dbraw/zinc/76/47/22/634764722.db2.gz FFTKOFLDMFNONF-CQSZACIVSA-N 0 0 273.380 2.579 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(C)n2)cc1F ZINC000796440741 629918525 /nfs/dbraw/zinc/91/85/25/629918525.db2.gz BZBGMBSYAVHLHB-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796758801 629961253 /nfs/dbraw/zinc/96/12/53/629961253.db2.gz GFQBTIHVKFYUOI-DOMZBBRYSA-N 0 0 297.370 2.625 20 10 CFCDRN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(F)cc1[O-] ZINC000796760143 629961888 /nfs/dbraw/zinc/96/18/88/629961888.db2.gz LDEMKWDZWBELBD-ZFWWWQNUSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000796772975 629963834 /nfs/dbraw/zinc/96/38/34/629963834.db2.gz VQVSSTOPHMEGMM-UKRRQHHQSA-N 0 0 297.370 2.768 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2=CCCC2)c1 ZINC000852633139 634792917 /nfs/dbraw/zinc/79/29/17/634792917.db2.gz BRAOXNSXJPIAGG-LLVKDONJSA-N 0 0 290.363 2.871 20 10 CFCDRN COc1cccc(O)c1CNc1ccc(N2CCC2=O)cc1 ZINC000798502649 630196320 /nfs/dbraw/zinc/19/63/20/630196320.db2.gz USQZVUOWRMVMSE-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN CN(C)CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000798502057 630196648 /nfs/dbraw/zinc/19/66/48/630196648.db2.gz LRWZEWVKAHATDQ-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2C)c(O)c1 ZINC000798511248 630197920 /nfs/dbraw/zinc/19/79/20/630197920.db2.gz JIHXRUNIHDNUIT-NEPJUHHUSA-N 0 0 292.379 2.636 20 10 CFCDRN CN1C(=O)/C(=C/c2cncnc2)c2cc(Cl)ccc21 ZINC000799501469 630316240 /nfs/dbraw/zinc/31/62/40/630316240.db2.gz DXPNWYKRHTYXOE-UUILKARUSA-N 0 0 271.707 2.647 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(F)(F)F ZINC000839918150 630400801 /nfs/dbraw/zinc/40/08/01/630400801.db2.gz JZSMGUBHBWRQDD-JTQLQIEISA-N 0 0 288.313 2.671 20 10 CFCDRN COC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919989 630403367 /nfs/dbraw/zinc/40/33/67/630403367.db2.gz YZCVRVLJHXKTJY-ZDUSSCGKSA-N 0 0 292.423 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(F)F ZINC000839922466 630408794 /nfs/dbraw/zinc/40/87/94/630408794.db2.gz VHGJUCPYKQIRLP-LLVKDONJSA-N 0 0 284.350 2.763 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OCC ZINC000801545974 630456685 /nfs/dbraw/zinc/45/66/85/630456685.db2.gz TZMCEOZEUWRVQC-GDBMZVCRSA-N 0 0 291.391 2.946 20 10 CFCDRN CO[C@@H](COC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000801859217 630480830 /nfs/dbraw/zinc/48/08/30/630480830.db2.gz YJGXXWPTTOAROJ-AWEZNQCLSA-N 0 0 288.299 2.642 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H](C)C(=O)[O-] ZINC000852738096 634818712 /nfs/dbraw/zinc/81/87/12/634818712.db2.gz ZGIKXHLZPXQGTB-MRVPVSSYSA-N 0 0 299.754 2.543 20 10 CFCDRN Cc1oc(C(C)C)nc1C(=O)NCc1ccccc1O ZINC000802776889 630545208 /nfs/dbraw/zinc/54/52/08/630545208.db2.gz BNESTNORDCCWND-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1sccc1Cl ZINC000802784224 630546400 /nfs/dbraw/zinc/54/64/00/630546400.db2.gz LFNTXFOEXACQIZ-UHFFFAOYSA-N 0 0 283.736 2.743 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC000803090143 630583651 /nfs/dbraw/zinc/58/36/51/630583651.db2.gz VHYPDPDUKKCMHZ-SECBINFHSA-N 0 0 291.372 2.829 20 10 CFCDRN CSc1cnc(N[C@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC000804605806 630764074 /nfs/dbraw/zinc/76/40/74/630764074.db2.gz XVVHYKKHQXAZCL-SECBINFHSA-N 0 0 291.376 2.653 20 10 CFCDRN CC[C@@H]([NH2+]CC1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000806141952 630773576 /nfs/dbraw/zinc/77/35/76/630773576.db2.gz MSEPHLBUANJVHE-GFCCVEGCSA-N 0 0 269.772 2.859 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@@H]2COCCO2)s1 ZINC000806590956 630819241 /nfs/dbraw/zinc/81/92/41/630819241.db2.gz UKJOQFNOXPVUAW-VIFPVBQESA-N 0 0 273.423 2.948 20 10 CFCDRN CSc1cccc(NC(=O)NCc2ccccc2O)n1 ZINC000806782351 630835352 /nfs/dbraw/zinc/83/53/52/630835352.db2.gz KHNUZZQLSBJMMS-UHFFFAOYSA-N 0 0 289.360 2.831 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1F ZINC000806870118 630843204 /nfs/dbraw/zinc/84/32/04/630843204.db2.gz NMPWUBQZDHIGMP-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN CC/C=C\CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000836574382 630852764 /nfs/dbraw/zinc/85/27/64/630852764.db2.gz XMNMPQAFGDURCM-PLNGDYQASA-N 0 0 287.407 2.834 20 10 CFCDRN COc1cc(F)c(NC(=O)C2=CC(=O)CS2)cc1OC ZINC000807702333 630904622 /nfs/dbraw/zinc/90/46/22/630904622.db2.gz SEXFRXZDQSEYDH-UHFFFAOYSA-N 0 0 297.307 2.862 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC=C(c2ccncc2)C1 ZINC000807746288 630907332 /nfs/dbraw/zinc/90/73/32/630907332.db2.gz JZYBORATOTTXKX-UHFFFAOYSA-N 0 0 286.356 2.778 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000041365512 649990364 /nfs/dbraw/zinc/99/03/64/649990364.db2.gz SBJVJFGUDNUSFQ-UHFFFAOYSA-N 0 0 281.359 2.612 20 10 CFCDRN CC(=O)C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000808017876 630942480 /nfs/dbraw/zinc/94/24/80/630942480.db2.gz DWHJIJSKYPILDD-UHFFFAOYSA-N 0 0 279.292 2.731 20 10 CFCDRN CC(=O)C(=O)CSc1nnc(C)n1[C@H]1CCC[C@H](C)C1 ZINC000808029737 630943362 /nfs/dbraw/zinc/94/33/62/630943362.db2.gz SMCYVWOTYLALRZ-CABZTGNLSA-N 0 0 295.408 2.588 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)C1CC1 ZINC000808095749 630949942 /nfs/dbraw/zinc/94/99/42/630949942.db2.gz QZEUMSVLSSFVCP-SNVBAGLBSA-N 0 0 268.353 2.540 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)CCC1 ZINC000808094720 630950099 /nfs/dbraw/zinc/95/00/99/630950099.db2.gz YRGDVKQJMJZDMW-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccoc1 ZINC000808094923 630950307 /nfs/dbraw/zinc/95/03/07/630950307.db2.gz KEHIGFDCCFKSEX-UHFFFAOYSA-N 0 0 294.347 2.720 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)C1CC1 ZINC000808095748 630950329 /nfs/dbraw/zinc/95/03/29/630950329.db2.gz QZEUMSVLSSFVCP-JTQLQIEISA-N 0 0 268.353 2.540 20 10 CFCDRN CCOc1ccc(CN[C@H](C)C(F)(F)F)c(O)c1 ZINC000808436013 630992234 /nfs/dbraw/zinc/99/22/34/630992234.db2.gz HTGUUZMYONCNBX-MRVPVSSYSA-N 0 0 263.259 2.831 20 10 CFCDRN Nc1ccc(CNC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000837303179 630993457 /nfs/dbraw/zinc/99/34/57/630993457.db2.gz XLTUGDLFDHTKSO-UHFFFAOYSA-N 0 0 296.370 2.988 20 10 CFCDRN CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC000837302661 630993473 /nfs/dbraw/zinc/99/34/73/630993473.db2.gz BNABMAZDNVWGPO-HNNXBMFYSA-N 0 0 276.380 2.623 20 10 CFCDRN CC[C@H](C)[C@H](C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808485680 631001608 /nfs/dbraw/zinc/00/16/08/631001608.db2.gz UPNOANWUGZPDDM-NHYWBVRUSA-N 0 0 276.332 2.518 20 10 CFCDRN CCCCC1CCC(C(=O)OCC(=O)C(C)=O)CC1 ZINC000808494905 631003137 /nfs/dbraw/zinc/00/31/37/631003137.db2.gz KPKQVXOFDJEZKB-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000837378683 631016486 /nfs/dbraw/zinc/01/64/86/631016486.db2.gz CXZAPBBRBFWEJU-NVXWUHKLSA-N 0 0 289.423 2.986 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000837378688 631017558 /nfs/dbraw/zinc/01/75/58/631017558.db2.gz CXZAPBBRBFWEJU-WBVHZDCISA-N 0 0 289.423 2.986 20 10 CFCDRN CCn1ncnc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808719659 631035003 /nfs/dbraw/zinc/03/50/03/631035003.db2.gz YVCJZQWSTZPJSE-JTQLQIEISA-N 0 0 294.786 2.816 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)C1CCC1 ZINC000837521006 631054008 /nfs/dbraw/zinc/05/40/08/631054008.db2.gz RMQBAUSDYBOVBB-GHMZBOCLSA-N 0 0 277.364 2.581 20 10 CFCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)C1CCCCC1 ZINC000837647864 631096549 /nfs/dbraw/zinc/09/65/49/631096549.db2.gz LJLSLOJHKJMHIE-SNVBAGLBSA-N 0 0 292.331 2.793 20 10 CFCDRN C[C@H]1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837928785 631152614 /nfs/dbraw/zinc/15/26/14/631152614.db2.gz JOAKGZMYPMKDBN-MGPLVRAMSA-N 0 0 292.331 2.650 20 10 CFCDRN CCCCCN1CC(=O)N[C@@H]1c1ccc(N(C)C)cc1C ZINC000840819780 631231600 /nfs/dbraw/zinc/23/16/00/631231600.db2.gz NXPPPVIPIZEDFO-KRWDZBQOSA-N 0 0 289.423 2.682 20 10 CFCDRN COCC[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000840836265 631236096 /nfs/dbraw/zinc/23/60/96/631236096.db2.gz XAYDJCGHBGEAAB-NXEZZACHSA-N 0 0 273.323 2.994 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000840836267 631236623 /nfs/dbraw/zinc/23/66/23/631236623.db2.gz XAYDJCGHBGEAAB-VHSXEESVSA-N 0 0 273.323 2.994 20 10 CFCDRN Cc1cc(O)c(C[NH2+]C2CCN(C)CC2)c(Cl)c1 ZINC000840871887 631247126 /nfs/dbraw/zinc/24/71/26/631247126.db2.gz HBLARQONABGRGW-UHFFFAOYSA-N 0 0 268.788 2.538 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@@H](O)C(C)C ZINC000840881227 631249630 /nfs/dbraw/zinc/24/96/30/631249630.db2.gz GMAMUVQNDQKTMM-DGFSRKRXSA-N 0 0 269.360 2.977 20 10 CFCDRN CCc1nnc(NCc2c(O)cc(C)cc2Cl)o1 ZINC000840886184 631251054 /nfs/dbraw/zinc/25/10/54/631251054.db2.gz QWZZYCWLKVYJSS-UHFFFAOYSA-N 0 0 267.716 2.912 20 10 CFCDRN Cc1cc(O)c(CNc2nnc(C(C)(C)O)o2)c(Cl)c1 ZINC000840885634 631251185 /nfs/dbraw/zinc/25/11/85/631251185.db2.gz YTOPEZQOHJJEJI-UHFFFAOYSA-N 0 0 297.742 2.577 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2cnn(C)c2)c(Cl)c1 ZINC000840909589 631261756 /nfs/dbraw/zinc/26/17/56/631261756.db2.gz JKHNDYMPXGYTGB-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN CCn1cc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000840935739 631269036 /nfs/dbraw/zinc/26/90/36/631269036.db2.gz BZYKWTFLGQWCAZ-UHFFFAOYSA-N 0 0 258.369 2.890 20 10 CFCDRN CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809717024 631269909 /nfs/dbraw/zinc/26/99/09/631269909.db2.gz BUTYOVKYCYATQP-QMMMGPOBSA-N 0 0 261.724 2.651 20 10 CFCDRN CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809717023 631270084 /nfs/dbraw/zinc/27/00/84/631270084.db2.gz BUTYOVKYCYATQP-MRVPVSSYSA-N 0 0 261.724 2.651 20 10 CFCDRN Cc1noc([C@@H](C)NCc2c(O)cc(C)cc2Cl)n1 ZINC000840941760 631274239 /nfs/dbraw/zinc/27/42/39/631274239.db2.gz KQILAXJRMZEVBL-MRVPVSSYSA-N 0 0 281.743 2.896 20 10 CFCDRN CCn1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000840955876 631282876 /nfs/dbraw/zinc/28/28/76/631282876.db2.gz ZGCQSIZZLJKJQO-UHFFFAOYSA-N 0 0 283.734 2.691 20 10 CFCDRN CCOC(=O)c1cc(NCc2ccccc2O)cn1C ZINC000809756082 631282831 /nfs/dbraw/zinc/28/28/31/631282831.db2.gz PBIFWZAYGWCVCR-UHFFFAOYSA-N 0 0 274.320 2.520 20 10 CFCDRN CN1c2ccccc2N(Cc2ccccc2O)CCC1=O ZINC000809786069 631289452 /nfs/dbraw/zinc/28/94/52/631289452.db2.gz NYBRVNJBGCNNDU-UHFFFAOYSA-N 0 0 282.343 2.765 20 10 CFCDRN O=C1OCc2ccc(NCc3ccccc3O)cc21 ZINC000809788719 631290017 /nfs/dbraw/zinc/29/00/17/631290017.db2.gz NMWWQCDDDXCSHO-UHFFFAOYSA-N 0 0 255.273 2.675 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840980142 631293832 /nfs/dbraw/zinc/29/38/32/631293832.db2.gz WKHUBTNTYROKRF-MWLCHTKSSA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)CCc1nnc(N(C)Cc2ccccc2O)n1C ZINC000809832784 631294434 /nfs/dbraw/zinc/29/44/34/631294434.db2.gz SPXYFRNWGCUMMU-UHFFFAOYSA-N 0 0 288.395 2.746 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000840999038 631297822 /nfs/dbraw/zinc/29/78/22/631297822.db2.gz MSBLXDBPECBPLF-CYBMUJFWSA-N 0 0 278.396 2.685 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCSC2)cc1 ZINC000809966245 631306425 /nfs/dbraw/zinc/30/64/25/631306425.db2.gz WCZZLVJLZBUWTI-AWEZNQCLSA-N 0 0 292.448 2.854 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2SCCCS2)cc1 ZINC000841017108 631306915 /nfs/dbraw/zinc/30/69/15/631306915.db2.gz ADMMEOMJCLKTEG-UHFFFAOYSA-N 0 0 296.461 2.565 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036313 631315109 /nfs/dbraw/zinc/31/51/09/631315109.db2.gz RIRMJERGMPWWMZ-SNVBAGLBSA-N 0 0 275.179 2.541 20 10 CFCDRN CCc1nn(C)c(CC)c1CNc1ccc(N)cc1 ZINC000841040518 631317574 /nfs/dbraw/zinc/31/75/74/631317574.db2.gz RYZQPKPBFIYQQM-UHFFFAOYSA-N 0 0 258.369 2.739 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000810256563 631351098 /nfs/dbraw/zinc/35/10/98/631351098.db2.gz BTHKVRCTFFNZKS-IWSPIJDZSA-N 0 0 259.296 2.744 20 10 CFCDRN CC(C)[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296031 631376167 /nfs/dbraw/zinc/37/61/67/631376167.db2.gz MUEZPMHBIXDBHF-UONOGXRCSA-N 0 0 277.368 2.594 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000841297565 631376835 /nfs/dbraw/zinc/37/68/35/631376835.db2.gz GBLUBCVLTCPLNI-BBWFWOEESA-N 0 0 293.370 2.976 20 10 CFCDRN Nc1ccc(NC(=O)N2CCOC3(CCCCC3)C2)cc1 ZINC000841297365 631377284 /nfs/dbraw/zinc/37/72/84/631377284.db2.gz PLOCVOVGCDUFTR-UHFFFAOYSA-N 0 0 289.379 2.836 20 10 CFCDRN COCCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000841298818 631377988 /nfs/dbraw/zinc/37/79/88/631377988.db2.gz RQLGTUZOUMFCQB-UHFFFAOYSA-N 0 0 291.395 2.987 20 10 CFCDRN CCc1noc(CC)c1CNC(=O)Nc1ccc(N)cc1 ZINC000841300160 631379022 /nfs/dbraw/zinc/37/90/22/631379022.db2.gz PJDTYYZMYVUVQX-UHFFFAOYSA-N 0 0 288.351 2.703 20 10 CFCDRN O=C(NCCCSc1nccs1)OCCCF ZINC000841487642 631416172 /nfs/dbraw/zinc/41/61/72/631416172.db2.gz ZQGBZHVGQDUMAG-UHFFFAOYSA-N 0 0 278.374 2.711 20 10 CFCDRN CC(=O)N(C)c1ccc(NCc2cc(C)ccc2O)cn1 ZINC000841505271 631418071 /nfs/dbraw/zinc/41/80/71/631418071.db2.gz IWGYCQVYEZUQJY-UHFFFAOYSA-N 0 0 285.347 2.690 20 10 CFCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841716516 631457512 /nfs/dbraw/zinc/45/75/12/631457512.db2.gz RLOQQZRNDHSCKE-HZSPNIEDSA-N 0 0 289.423 2.939 20 10 CFCDRN C[C@H]([NH2+]CCc1cncn1C)c1ccc(Cl)cc1[O-] ZINC000841751800 631465427 /nfs/dbraw/zinc/46/54/27/631465427.db2.gz KILFAGRPFLHCCD-JTQLQIEISA-N 0 0 279.771 2.672 20 10 CFCDRN CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756376 631467186 /nfs/dbraw/zinc/46/71/86/631467186.db2.gz XBUIFFARHRTIET-ONGXEEELSA-N 0 0 289.828 2.810 20 10 CFCDRN CC1(CNC(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000841795137 631472725 /nfs/dbraw/zinc/47/27/25/631472725.db2.gz HBFXIWGZMHQZHS-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN C[C@@H]1CCC[C@@H](C)C1NC(=O)NCCc1ccc(N)cc1 ZINC000841849761 631479967 /nfs/dbraw/zinc/47/99/67/631479967.db2.gz KQUGFSPIGHZTJK-CHWSQXEVSA-N 0 0 289.423 2.935 20 10 CFCDRN CC1(C)CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841856199 631482342 /nfs/dbraw/zinc/48/23/42/631482342.db2.gz LLPQDZOAZZLSRG-AWEZNQCLSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@H](CCC1CC1)NC(=O)NCCc1ccc(N)cc1 ZINC000841879595 631485900 /nfs/dbraw/zinc/48/59/00/631485900.db2.gz HOKQIJNDBLRMRP-GFCCVEGCSA-N 0 0 275.396 2.689 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC3(C2)CCCCC3)cc1 ZINC000841955617 631495724 /nfs/dbraw/zinc/49/57/24/631495724.db2.gz ICQQAZZNHUHYAV-UHFFFAOYSA-N 0 0 287.407 2.787 20 10 CFCDRN CCCN(CC1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841962789 631497352 /nfs/dbraw/zinc/49/73/52/631497352.db2.gz SMGDKWBYMIEMMN-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN c1c(COc2ccc(N3CCCC3)cc2)nnn1CC1CC1 ZINC000842034023 631508184 /nfs/dbraw/zinc/50/81/84/631508184.db2.gz NQCSRHATFRRZAG-UHFFFAOYSA-N 0 0 298.390 2.867 20 10 CFCDRN CC[C@H](CN(C)c1ccc(OC)c(OC)c1)OC ZINC000842149748 631553711 /nfs/dbraw/zinc/55/37/11/631553711.db2.gz OWSQLYRBPGOHCF-GFCCVEGCSA-N 0 0 253.342 2.565 20 10 CFCDRN OCc1ccc(NCc2c(O)cccc2Cl)nc1 ZINC000811501188 631572927 /nfs/dbraw/zinc/57/29/27/631572927.db2.gz GHLFGATVSTWDQZ-UHFFFAOYSA-N 0 0 264.712 2.545 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)[C@@H](C)O ZINC000842264969 631573180 /nfs/dbraw/zinc/57/31/80/631573180.db2.gz PFRHXSSYEQOQOL-UKRRQHHQSA-N 0 0 293.407 2.928 20 10 CFCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCC1(F)F ZINC000811600161 631582411 /nfs/dbraw/zinc/58/24/11/631582411.db2.gz GFNRFPWBYXKBIO-ZETCQYMHSA-N 0 0 261.293 2.571 20 10 CFCDRN COc1cc(NCc2c(O)ccc3c2CCCC3)ncn1 ZINC000811808407 631625580 /nfs/dbraw/zinc/62/55/80/631625580.db2.gz ICROKLKWQZWZQN-UHFFFAOYSA-N 0 0 285.347 2.682 20 10 CFCDRN Oc1ccc(CCNc2ncccc2Cl)cc1O ZINC000811811002 631625826 /nfs/dbraw/zinc/62/58/26/631625826.db2.gz KBQMXYUGJJFIPP-UHFFFAOYSA-N 0 0 264.712 2.801 20 10 CFCDRN CCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840239873 631641005 /nfs/dbraw/zinc/64/10/05/631641005.db2.gz DPOXRJSAKKCXLC-ZDUSSCGKSA-N 0 0 277.412 2.701 20 10 CFCDRN CCC(=O)Nc1ccccc1C(=O)NCc1ccccc1O ZINC000812489897 631726210 /nfs/dbraw/zinc/72/62/10/631726210.db2.gz JENSWRPFHWDKKI-UHFFFAOYSA-N 0 0 298.342 2.671 20 10 CFCDRN C=Cc1ccc(CCNC(=O)c2cccc(O)c2O)cc1 ZINC000812595696 631738963 /nfs/dbraw/zinc/73/89/63/631738963.db2.gz MJVGICZNDFDKOI-UHFFFAOYSA-N 0 0 283.327 2.713 20 10 CFCDRN Cc1cc(C(=O)N2CC(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000812650320 631752286 /nfs/dbraw/zinc/75/22/86/631752286.db2.gz DQZMNXSECOTBKU-UHFFFAOYSA-N 0 0 295.386 2.971 20 10 CFCDRN COc1cccc(CNC(=O)c2c(C)cccc2C)c1O ZINC000155615774 650027059 /nfs/dbraw/zinc/02/70/59/650027059.db2.gz PWXCFTBQOOOCOJ-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000842887576 631774992 /nfs/dbraw/zinc/77/49/92/631774992.db2.gz ZLXFYSHVTUJEPT-GXFFZTMASA-N 0 0 294.370 2.581 20 10 CFCDRN COCC1(CN(C)c2ccc(OC)c(OC)c2)CCC1 ZINC000812824478 631791543 /nfs/dbraw/zinc/79/15/43/631791543.db2.gz QRGAYOOVWVJIFH-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN O=C(NCCCCF)NCc1ccc(N2CC=CC2)cc1 ZINC000812888996 631802145 /nfs/dbraw/zinc/80/21/45/631802145.db2.gz LPYHVKYYAXTQRO-UHFFFAOYSA-N 0 0 291.370 2.612 20 10 CFCDRN C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])[C@@H]1C[NH3+] ZINC000843052010 631816774 /nfs/dbraw/zinc/81/67/74/631816774.db2.gz OCFAFTWUKPTAQD-GXFFZTMASA-N 0 0 268.788 2.605 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc2c(cn1)CCCC2 ZINC000813014372 631817303 /nfs/dbraw/zinc/81/73/03/631817303.db2.gz VYTOENFKOUGZAR-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN CCCN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CC[NH2+]C1 ZINC000843052938 631817447 /nfs/dbraw/zinc/81/74/47/631817447.db2.gz PKRXSDYLGYHWBG-JTQLQIEISA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843122904 631843367 /nfs/dbraw/zinc/84/33/67/631843367.db2.gz FVPOPAKDOXTNLU-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN COc1cccc(CN2CCNc3ccccc32)c1O ZINC000843125168 631844059 /nfs/dbraw/zinc/84/40/59/631844059.db2.gz YVNNGQBEMVOAFJ-UHFFFAOYSA-N 0 0 270.332 2.833 20 10 CFCDRN CCCn1cc(-c2nc(Cc3ccc(N)cc3)no2)cn1 ZINC000843158463 631869729 /nfs/dbraw/zinc/86/97/29/631869729.db2.gz DBFCNHAMBHGXNW-UHFFFAOYSA-N 0 0 283.335 2.516 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3CC3(Cl)Cl)n2)cc1 ZINC000843159333 631870403 /nfs/dbraw/zinc/87/04/03/631870403.db2.gz PGRGJCLWHPVBPS-VIFPVBQESA-N 0 0 284.146 2.904 20 10 CFCDRN CC[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843159489 631871514 /nfs/dbraw/zinc/87/15/14/631871514.db2.gz RBEJLRIYOPSKKQ-OCCSQVGLSA-N 0 0 287.363 2.915 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccnn2CC(C)C)SC1=S ZINC000843262599 631913304 /nfs/dbraw/zinc/91/33/04/631913304.db2.gz CMDVLUHIHCBKCQ-XFFZJAGNSA-N 0 0 295.433 2.760 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC1CC1 ZINC000813513768 631927955 /nfs/dbraw/zinc/92/79/55/631927955.db2.gz SAKALSHCOQTHPM-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@H](NC(=O)c1cccc(CO)c1)c1ccc(N(C)C)cc1 ZINC000813525385 631929897 /nfs/dbraw/zinc/92/98/97/631929897.db2.gz RLMLEEDFKJJKHE-ZDUSSCGKSA-N 0 0 298.386 2.736 20 10 CFCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1ccc(N(C)C)cc1 ZINC000843422117 631951462 /nfs/dbraw/zinc/95/14/62/631951462.db2.gz CFWSZOBVUPAMQV-OAHLLOKOSA-N 0 0 292.423 2.820 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1=CCCC1 ZINC000156049657 650042017 /nfs/dbraw/zinc/04/20/17/650042017.db2.gz FLMHLVFKAFNQKP-UHFFFAOYSA-N 0 0 258.365 2.788 20 10 CFCDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1cccnc1 ZINC000843492805 631967653 /nfs/dbraw/zinc/96/76/53/631967653.db2.gz HJCSKIRHLZJFCP-CYBMUJFWSA-N 0 0 283.375 2.816 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)c(O)c1O ZINC000813858857 631968514 /nfs/dbraw/zinc/96/85/14/631968514.db2.gz CSSCYYNFACLPQC-IINYFYTJSA-N 0 0 299.326 2.658 20 10 CFCDRN CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179615 632025306 /nfs/dbraw/zinc/02/53/06/632025306.db2.gz WIUOVNMIKMROLB-JTQLQIEISA-N 0 0 270.716 2.938 20 10 CFCDRN Cc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)o1 ZINC000814285228 632049281 /nfs/dbraw/zinc/04/92/81/632049281.db2.gz PZSTWMZHXALOKI-UXBLZVDNSA-N 0 0 265.359 2.952 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2(F)CC2)cc1F ZINC000843794283 632056946 /nfs/dbraw/zinc/05/69/46/632056946.db2.gz HKVJFIIQXFFNON-UHFFFAOYSA-N 0 0 282.334 2.790 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843938772 632079617 /nfs/dbraw/zinc/07/96/17/632079617.db2.gz JJHSYMDTKPTIHP-AJKRIUKHSA-N 0 0 287.359 2.902 20 10 CFCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC2(CCCC2)O1 ZINC000844154378 632129049 /nfs/dbraw/zinc/12/90/49/632129049.db2.gz ZXMKHJVALWQWQE-JTQLQIEISA-N 0 0 281.377 2.627 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCC2CCCCC2)cc1 ZINC000844353704 632178011 /nfs/dbraw/zinc/17/80/11/632178011.db2.gz WJXAHBUDWVZHQW-UHFFFAOYSA-N 0 0 290.407 2.828 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1F ZINC000844356432 632178540 /nfs/dbraw/zinc/17/85/40/632178540.db2.gz IIQMDLZGORZYKG-UONOGXRCSA-N 0 0 290.382 2.944 20 10 CFCDRN Cc1cc(C[NH+]2CCC(O)(C(F)F)CC2)ccc1N(C)C ZINC000815095164 632200191 /nfs/dbraw/zinc/20/01/91/632200191.db2.gz AMUGPGAVEZZHGD-UHFFFAOYSA-N 0 0 298.377 2.653 20 10 CFCDRN Cc1nccnc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000815153660 632219103 /nfs/dbraw/zinc/21/91/03/632219103.db2.gz VGUIIEBTZYSHAN-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN C[C@@H]1CC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000815222397 632233032 /nfs/dbraw/zinc/23/30/32/632233032.db2.gz OVWXTRZEWNESLU-ZOZIERIHSA-N 0 0 262.305 2.843 20 10 CFCDRN COCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815552587 632287759 /nfs/dbraw/zinc/28/77/59/632287759.db2.gz FNFJKDGYESZZEU-QMMMGPOBSA-N 0 0 263.259 2.708 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC000815835060 632325302 /nfs/dbraw/zinc/32/53/02/632325302.db2.gz JCYJGTJJHLLGIA-BDAKNGLRSA-N 0 0 287.306 2.869 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CC3CCC2CC3)c1O ZINC000815834491 632325326 /nfs/dbraw/zinc/32/53/26/632325326.db2.gz LIMYJEQESOGARD-YIZWMMSDSA-N 0 0 289.375 2.843 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]c(C(F)(F)F)c1 ZINC000815833774 632325561 /nfs/dbraw/zinc/32/55/61/632325561.db2.gz CZPVSSLRPWIHBJ-UHFFFAOYSA-N 0 0 284.237 2.669 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NCC1CCC1 ZINC000844888128 632329418 /nfs/dbraw/zinc/32/94/18/632329418.db2.gz AQISMLDTCKKJKU-UHFFFAOYSA-N 0 0 268.744 2.645 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844939672 632342983 /nfs/dbraw/zinc/34/29/83/632342983.db2.gz PKLQQLITYDSBRD-ONEGZZNKSA-N 0 0 288.391 2.562 20 10 CFCDRN CSC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845005733 632355335 /nfs/dbraw/zinc/35/53/35/632355335.db2.gz ONNNUHJTAKOSCX-QMMMGPOBSA-N 0 0 288.800 2.596 20 10 CFCDRN CC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845021595 632358915 /nfs/dbraw/zinc/35/89/15/632358915.db2.gz HEDXKVHGRGHJFA-UHFFFAOYSA-N 0 0 268.744 2.645 20 10 CFCDRN C[C@H](NC(=O)N1CCCCCO1)c1ccc(N(C)C)cc1 ZINC000845126262 632371708 /nfs/dbraw/zinc/37/17/08/632371708.db2.gz ZJUKSRYKMCULMD-ZDUSSCGKSA-N 0 0 291.395 2.941 20 10 CFCDRN C[C@@H](NC(=O)N1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC000845126156 632371940 /nfs/dbraw/zinc/37/19/40/632371940.db2.gz XBUCEUFPRNXEAD-TZMCWYRMSA-N 0 0 293.386 2.957 20 10 CFCDRN C[C@H]1CC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845191548 632381892 /nfs/dbraw/zinc/38/18/92/632381892.db2.gz JHSGETBUWRUXLY-GZMMTYOYSA-N 0 0 268.744 2.643 20 10 CFCDRN CC(C)[C@@H]1C[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845255830 632396153 /nfs/dbraw/zinc/39/61/53/632396153.db2.gz DPIKUVOIELWIFA-NWDGAFQWSA-N 0 0 282.771 2.889 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000816532639 632479177 /nfs/dbraw/zinc/47/91/77/632479177.db2.gz PPMULNDUACRWDN-GFCCVEGCSA-N 0 0 285.702 2.601 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000816532640 632479203 /nfs/dbraw/zinc/47/92/03/632479203.db2.gz PPMULNDUACRWDN-LBPRGKRZSA-N 0 0 285.702 2.601 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000816548080 632481435 /nfs/dbraw/zinc/48/14/35/632481435.db2.gz TVAFEOXJUXQZGV-UHFFFAOYSA-N 0 0 295.741 2.967 20 10 CFCDRN Oc1ccc(F)c(CNCc2ccc3c(c2)CCO3)c1F ZINC000816545361 632481473 /nfs/dbraw/zinc/48/14/73/632481473.db2.gz NOPNJHIEBDSURN-UHFFFAOYSA-N 0 0 291.297 2.895 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOc1cccnc1 ZINC000816549881 632482156 /nfs/dbraw/zinc/48/21/56/632482156.db2.gz BCOPWBRLNICAII-UHFFFAOYSA-N 0 0 296.729 2.748 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)c(O)c1 ZINC000816550084 632482174 /nfs/dbraw/zinc/48/21/74/632482174.db2.gz IARBBWYMBRROQE-KOHJWAIASA-N 0 0 289.375 2.843 20 10 CFCDRN COC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816554351 632483004 /nfs/dbraw/zinc/48/30/04/632483004.db2.gz WGQBLWRKXYTMGQ-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOC(F)(F)F ZINC000816589542 632490305 /nfs/dbraw/zinc/49/03/05/632490305.db2.gz BGCXMTMTIQSPBP-UHFFFAOYSA-N 0 0 287.640 2.811 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000816594643 632491962 /nfs/dbraw/zinc/49/19/62/632491962.db2.gz KRKOZHXHOSHFSD-SECBINFHSA-N 0 0 285.746 2.653 20 10 CFCDRN CC(C)[C@](C)(CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816615727 632495931 /nfs/dbraw/zinc/49/59/31/632495931.db2.gz DGJJPJYBNWKRTR-ZDUSSCGKSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000816648507 632504084 /nfs/dbraw/zinc/50/40/84/632504084.db2.gz LLYSBOWKEJKTSL-CHWSQXEVSA-N 0 0 278.371 2.503 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1O ZINC000845834356 632577479 /nfs/dbraw/zinc/57/74/79/632577479.db2.gz SMBOYPJEVDRRGI-MBNYWOFBSA-N 0 0 287.359 2.619 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CC[C@H](C)CC2)c1O ZINC000845833198 632577731 /nfs/dbraw/zinc/57/77/31/632577731.db2.gz KEIKMLIYAALHTC-HAQNSBGRSA-N 0 0 277.364 2.843 20 10 CFCDRN CCCC(C)(C)C(=O)NCc1cc(OC)ccc1O ZINC000845835162 632577808 /nfs/dbraw/zinc/57/78/08/632577808.db2.gz ZVZYTNJBWJXMJJ-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000845911861 632597256 /nfs/dbraw/zinc/59/72/56/632597256.db2.gz PAUZDOINJYSKBF-STQMWFEESA-N 0 0 298.452 2.922 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845996633 632610083 /nfs/dbraw/zinc/61/00/83/632610083.db2.gz RFQAJJJDRIVBIT-VIFPVBQESA-N 0 0 291.800 2.654 20 10 CFCDRN Cn1c(Cl)cnc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000817347063 632610735 /nfs/dbraw/zinc/61/07/35/632610735.db2.gz ZWTFUNANECJYHU-WQLSENKSSA-N 0 0 299.761 2.907 20 10 CFCDRN C[C@@H](CO)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000846058202 632626552 /nfs/dbraw/zinc/62/65/52/632626552.db2.gz NTFZCYMDRRNTRF-NSHDSACASA-N 0 0 283.799 2.886 20 10 CFCDRN CCc1ccncc1NCc1cc(OC)ccc1O ZINC000846072527 632629625 /nfs/dbraw/zinc/62/96/25/632629625.db2.gz XDLMALPZKTYUFX-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CC1(F)F ZINC000817433613 632633041 /nfs/dbraw/zinc/63/30/41/632633041.db2.gz UMKIRLRNYVRKQI-AWEZNQCLSA-N 0 0 282.334 2.723 20 10 CFCDRN COc1cccc([C@@H](C)Nc2c(C)nn(C)c2C)c1O ZINC000846160439 632649416 /nfs/dbraw/zinc/64/94/16/632649416.db2.gz TZBPZCIHZIAZNE-SECBINFHSA-N 0 0 275.352 2.924 20 10 CFCDRN COc1cccc([C@H](C)N[C@H](C)c2nnc(C)s2)c1O ZINC000846166563 632652407 /nfs/dbraw/zinc/65/24/07/632652407.db2.gz ZKKMZYXWKSZUHT-DTWKUNHWSA-N 0 0 293.392 2.973 20 10 CFCDRN COc1cccc([C@@H](C)NC2(C(F)F)CC2)c1O ZINC000846168242 632652422 /nfs/dbraw/zinc/65/24/22/632652422.db2.gz RNJGATOBRPSZMU-MRVPVSSYSA-N 0 0 257.280 2.849 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F ZINC000817516755 632655711 /nfs/dbraw/zinc/65/57/11/632655711.db2.gz CTNANZKGDIXGLG-OAHLLOKOSA-N 0 0 294.345 2.948 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000846185787 632656473 /nfs/dbraw/zinc/65/64/73/632656473.db2.gz XOMCMTYRZBHNQM-MISXGVKJSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000846205009 632659702 /nfs/dbraw/zinc/65/97/02/632659702.db2.gz LYJNWLHVPVTMKI-RISCZKNCSA-N 0 0 261.365 2.784 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000846206428 632660039 /nfs/dbraw/zinc/66/00/39/632660039.db2.gz YRUDVNQITKORTE-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000846204722 632660161 /nfs/dbraw/zinc/66/01/61/632660161.db2.gz AZOOAZGFSINRFA-LLVKDONJSA-N 0 0 296.798 2.627 20 10 CFCDRN C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(F)cc(F)c1[O-] ZINC000846211641 632661768 /nfs/dbraw/zinc/66/17/68/632661768.db2.gz XTHMDIIEUUIQET-SNVBAGLBSA-N 0 0 285.334 2.874 20 10 CFCDRN Cc1cc(C[N@@H+](CC(=O)[O-])CC(C)C)ccc1N(C)C ZINC000846264919 632678156 /nfs/dbraw/zinc/67/81/56/632678156.db2.gz UGSKRLCDIACYEH-UHFFFAOYSA-N 0 0 278.396 2.604 20 10 CFCDRN C[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCC1=O ZINC000846473116 632715241 /nfs/dbraw/zinc/71/52/41/632715241.db2.gz ISXBHJFDZNBWLU-VHSXEESVSA-N 0 0 295.766 2.667 20 10 CFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CCOCC1 ZINC000846474713 632716193 /nfs/dbraw/zinc/71/61/93/632716193.db2.gz ANVVKUQZMLDPTL-SNVBAGLBSA-N 0 0 297.782 2.725 20 10 CFCDRN CO[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475321 632716555 /nfs/dbraw/zinc/71/65/55/632716555.db2.gz BYWZMPKWAVYWCK-TZMCWYRMSA-N 0 0 297.782 2.867 20 10 CFCDRN CC[C@H](SC)C(=O)NCc1cc(Cl)ccc1O ZINC000846476690 632717279 /nfs/dbraw/zinc/71/72/79/632717279.db2.gz OMKLTVAZCSNZNM-NSHDSACASA-N 0 0 273.785 2.803 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477932 632717958 /nfs/dbraw/zinc/71/79/58/632717958.db2.gz XUQXVQSTUYKYBZ-QMMMGPOBSA-N 0 0 273.785 2.661 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846664843 632768723 /nfs/dbraw/zinc/76/87/23/632768723.db2.gz PCSZLSRMXIMSNG-LLVKDONJSA-N 0 0 273.304 2.715 20 10 CFCDRN CCc1cc(C)c(C(=O)NCCc2ccc(N)cc2)o1 ZINC000846664790 632768774 /nfs/dbraw/zinc/76/87/74/632768774.db2.gz CNPQOXXRAMAQEP-UHFFFAOYSA-N 0 0 272.348 2.705 20 10 CFCDRN C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000817982247 632778648 /nfs/dbraw/zinc/77/86/48/632778648.db2.gz PZIPBSSQURXICC-LKFCYVNXSA-N 0 0 284.350 2.839 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C(C)=O)no1 ZINC000846770878 632792439 /nfs/dbraw/zinc/79/24/39/632792439.db2.gz FEXWNWUMZKXAOK-UHFFFAOYSA-N 0 0 286.331 2.839 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000818230741 632816676 /nfs/dbraw/zinc/81/66/76/632816676.db2.gz RVVRDRWSHVNQSQ-SNVBAGLBSA-N 0 0 268.700 2.596 20 10 CFCDRN Nc1ccc(Cc2nc(C(=O)N[C@H]3CC34CC4)cs2)cc1 ZINC000818287274 632822869 /nfs/dbraw/zinc/82/28/69/632822869.db2.gz URZHVERDZIJURW-ZDUSSCGKSA-N 0 0 299.399 2.598 20 10 CFCDRN Nc1ccc(CCNC(=O)CCCC2CCOCC2)cc1 ZINC000818544878 632863438 /nfs/dbraw/zinc/86/34/38/632863438.db2.gz VDWXNSJAKLZPPB-UHFFFAOYSA-N 0 0 290.407 2.524 20 10 CFCDRN CC(C)(CC[NH2+]Cc1c(O)cccc1Cl)C(=O)[O-] ZINC000818629146 632882917 /nfs/dbraw/zinc/88/29/17/632882917.db2.gz STGILJZWLZFLJA-UHFFFAOYSA-N 0 0 271.744 2.636 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1O ZINC000818630446 632884381 /nfs/dbraw/zinc/88/43/81/632884381.db2.gz FPSUQHGRCHGFAJ-CYBMUJFWSA-N 0 0 265.353 2.537 20 10 CFCDRN CCOc1ccc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c(O)c1 ZINC000818630651 632884436 /nfs/dbraw/zinc/88/44/36/632884436.db2.gz VVAMWMSHOVYUSV-CYBMUJFWSA-N 0 0 295.379 2.627 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)[O-] ZINC000818630645 632884580 /nfs/dbraw/zinc/88/45/80/632884580.db2.gz UVUJKJFKXHASJG-JTQLQIEISA-N 0 0 285.771 2.882 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)CO)cc1 ZINC000847303412 632970250 /nfs/dbraw/zinc/97/02/50/632970250.db2.gz AWTLJLBMDOHDOZ-UHFFFAOYSA-N 0 0 292.423 2.510 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@](C)(CC)CO)cc1 ZINC000847356928 632977415 /nfs/dbraw/zinc/97/74/15/632977415.db2.gz KNFXUZFNEYJYLR-KRWDZBQOSA-N 0 0 292.423 2.558 20 10 CFCDRN CC(C)C[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167595 632994180 /nfs/dbraw/zinc/99/41/80/632994180.db2.gz FPZAHVFNEAEPNE-GFCCVEGCSA-N 0 0 290.363 2.591 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccn(C(C)(C)C)n1 ZINC000847570522 633002931 /nfs/dbraw/zinc/00/29/31/633002931.db2.gz QJZDXQRJLQRKIZ-UHFFFAOYSA-N 0 0 287.363 2.616 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCCO1 ZINC000819382841 633141797 /nfs/dbraw/zinc/14/17/97/633141797.db2.gz QNJMWBZWQBWTJX-FJVVXJACSA-N 0 0 289.375 2.866 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C)c1O ZINC000819399479 633148956 /nfs/dbraw/zinc/14/89/56/633148956.db2.gz VMPRGGJURBAIHQ-WCQYABFASA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cccnn1 ZINC000840384720 633164525 /nfs/dbraw/zinc/16/45/25/633164525.db2.gz OHHLQGXUFFAFNE-CYBMUJFWSA-N 0 0 270.380 2.894 20 10 CFCDRN Cc1cc(C)c(O)c(CN2Cc3ccccc3NC(=O)C2)c1 ZINC000848499532 633267153 /nfs/dbraw/zinc/26/71/53/633267153.db2.gz NJBLMJIFQYPOFV-UHFFFAOYSA-N 0 0 296.370 2.963 20 10 CFCDRN COC[C@H](CC(C)(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000848594750 633297858 /nfs/dbraw/zinc/29/78/58/633297858.db2.gz OWLSFJANPSCHFZ-ZDUSSCGKSA-N 0 0 279.384 2.842 20 10 CFCDRN CC(C)[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848639727 633305974 /nfs/dbraw/zinc/30/59/74/633305974.db2.gz KJHOOOYIXGKMON-KJPDOMRESA-N 0 0 290.407 2.712 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848638612 633306041 /nfs/dbraw/zinc/30/60/41/633306041.db2.gz AARYUVWBNJSBRD-SNAWJCMRSA-N 0 0 288.391 2.705 20 10 CFCDRN CCc1cccc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC000848883490 633359698 /nfs/dbraw/zinc/35/96/98/633359698.db2.gz FTMFGIRSYBONKT-UHFFFAOYSA-N 0 0 279.380 2.728 20 10 CFCDRN CCc1cccc(CN2CCC[C@@H]2c2ncon2)c1O ZINC000848884619 633360162 /nfs/dbraw/zinc/36/01/62/633360162.db2.gz IWVZOCIHKUWIOD-CYBMUJFWSA-N 0 0 273.336 2.675 20 10 CFCDRN CCc1cccc(CN(C)Cc2ncc(Cl)n2C)c1O ZINC000848900363 633388316 /nfs/dbraw/zinc/38/83/16/633388316.db2.gz FTFNZDUAPKCUAY-UHFFFAOYSA-N 0 0 293.798 2.974 20 10 CFCDRN CCc1cccc(CNC(C)(C)c2nc(C)no2)c1O ZINC000848911697 633397148 /nfs/dbraw/zinc/39/71/48/633397148.db2.gz YCMOGALUDTZTHM-UHFFFAOYSA-N 0 0 275.352 2.671 20 10 CFCDRN CCc1cccc(CNc2ccc3c(c2)nnn3C)c1O ZINC000848918822 633401976 /nfs/dbraw/zinc/40/19/76/633401976.db2.gz AGMCVILRDVNEDY-UHFFFAOYSA-N 0 0 282.347 2.848 20 10 CFCDRN CCc1cccc(CN2Cc3ccccc3NC(=O)C2)c1O ZINC000848925503 633408873 /nfs/dbraw/zinc/40/88/73/633408873.db2.gz FMSBZIPHTWGTBB-UHFFFAOYSA-N 0 0 296.370 2.909 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000848926431 633409753 /nfs/dbraw/zinc/40/97/53/633409753.db2.gz XHMMHYDTTKJGLR-SNVBAGLBSA-N 0 0 292.358 2.776 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CCC1 ZINC000849028691 633469308 /nfs/dbraw/zinc/46/93/08/633469308.db2.gz WAIXWWCGSWXZSD-UHFFFAOYSA-N 0 0 288.178 2.865 20 10 CFCDRN C[C@H](Sc1ncc(Cl)s1)c1nncn1C ZINC000850000254 633786521 /nfs/dbraw/zinc/78/65/21/633786521.db2.gz NZGUNNTXYGZRDH-YFKPBYRVSA-N 0 0 260.775 2.778 20 10 CFCDRN C[C@@H]1CN(CCSc2ncc(Cl)s2)CCO1 ZINC000850000233 633786642 /nfs/dbraw/zinc/78/66/42/633786642.db2.gz NJKIZMOPBYKYSA-MRVPVSSYSA-N 0 0 278.830 2.609 20 10 CFCDRN CCCS(=O)(=O)CCSc1ncc(Cl)s1 ZINC000849999820 633786976 /nfs/dbraw/zinc/78/69/76/633786976.db2.gz ZCMKFTOKKQFQEJ-UHFFFAOYSA-N 0 0 285.843 2.713 20 10 CFCDRN CC(C)n1ccnc1CNCc1ccc(N(C)C)c(F)c1 ZINC000850099699 633841250 /nfs/dbraw/zinc/84/12/50/633841250.db2.gz UMJGUKVKGZSDBY-UHFFFAOYSA-N 0 0 290.386 2.959 20 10 CFCDRN CCOc1ccc(O)c(CNc2cccc(OC)n2)c1 ZINC000850339547 633945467 /nfs/dbraw/zinc/94/54/67/633945467.db2.gz AAINDCALMBWRFX-UHFFFAOYSA-N 0 0 274.320 2.807 20 10 CFCDRN CC1(C)[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000850394086 633974505 /nfs/dbraw/zinc/97/45/05/633974505.db2.gz KOKXSFARRXAUCD-NSHDSACASA-N 0 0 286.278 2.681 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000850429520 633989324 /nfs/dbraw/zinc/98/93/24/633989324.db2.gz GCYLDAKGDVSXIT-ZDUSSCGKSA-N 0 0 262.309 2.723 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(F)cc1[O-] ZINC000850503469 634021421 /nfs/dbraw/zinc/02/14/21/634021421.db2.gz XDVOKWOAIKPNFP-MNIFOHHSSA-N 0 0 299.411 2.872 20 10 CFCDRN C[C@@H]([NH2+]C/C=C/CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506779 634023135 /nfs/dbraw/zinc/02/31/35/634023135.db2.gz BSVDEECWWNTZMS-UFUPEUMYSA-N 0 0 276.163 2.898 20 10 CFCDRN CCCC[C@H](COC)NC(=O)NCc1cc(C)ccc1O ZINC000858233205 636159781 /nfs/dbraw/zinc/15/97/81/636159781.db2.gz IJUCHMPZLBCDFM-CQSZACIVSA-N 0 0 294.395 2.705 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@](C)(C(F)F)O1 ZINC000852778859 634832863 /nfs/dbraw/zinc/83/28/63/634832863.db2.gz XGZSTHNBWMSEJK-MLGOLLRUSA-N 0 0 298.377 2.997 20 10 CFCDRN Cc1noc(CSc2nccs2)c1[N+](=O)[O-] ZINC000853016477 634876526 /nfs/dbraw/zinc/87/65/26/634876526.db2.gz FTVASGZHEPONJZ-UHFFFAOYSA-N 0 0 257.296 2.640 20 10 CFCDRN COc1ccc(N2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000853215495 634936631 /nfs/dbraw/zinc/93/66/31/634936631.db2.gz SJUPHGZPKGHELM-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@]2(C)CC2(C)C)cc1 ZINC000853244847 634949372 /nfs/dbraw/zinc/94/93/72/634949372.db2.gz PYROSNTZEXVLAM-MRXNPFEDSA-N 0 0 275.396 2.740 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ccc(F)cn3)C2)cc1 ZINC000853760106 635097683 /nfs/dbraw/zinc/09/76/83/635097683.db2.gz ICYSSMONERCNGS-ZDUSSCGKSA-N 0 0 287.338 2.920 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc1 ZINC000854271620 635278714 /nfs/dbraw/zinc/27/87/14/635278714.db2.gz NNMBLLOSEANTLS-HUUCEWRRSA-N 0 0 290.407 2.572 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000854323652 635289979 /nfs/dbraw/zinc/28/99/79/635289979.db2.gz DGYHQRRWFRHXSO-FICVDOATSA-N 0 0 272.392 2.757 20 10 CFCDRN CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000854324746 635290121 /nfs/dbraw/zinc/29/01/21/635290121.db2.gz NZHMRDMDDDUFCK-INIZCTEOSA-N 0 0 290.407 2.526 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(SC)o2)c1O ZINC000112393656 635344950 /nfs/dbraw/zinc/34/49/50/635344950.db2.gz LZLKXDXOOSZLNH-UHFFFAOYSA-N 0 0 293.344 2.646 20 10 CFCDRN Cc1cc(C(=O)N2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000854805704 635397502 /nfs/dbraw/zinc/39/75/02/635397502.db2.gz VFFPRXCIMYEUAZ-UHFFFAOYSA-N 0 0 288.322 2.663 20 10 CFCDRN Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c(O)c1O ZINC000854898178 635417535 /nfs/dbraw/zinc/41/75/35/635417535.db2.gz RJIDIBFPGYHSRH-JTQLQIEISA-N 0 0 263.337 2.809 20 10 CFCDRN CCN(C(=O)C1=CC(=O)CS1)[C@@H](C)C(=O)OC(C)(C)C ZINC000855190958 635482180 /nfs/dbraw/zinc/48/21/80/635482180.db2.gz RHPCAQGOEAMOBT-VIFPVBQESA-N 0 0 299.392 2.646 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C(C)C)C2)cc1 ZINC000855231666 635489997 /nfs/dbraw/zinc/48/99/97/635489997.db2.gz NEJJXYHAXIOWSG-ZIAGYGMSSA-N 0 0 290.407 2.682 20 10 CFCDRN CCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229993 635490345 /nfs/dbraw/zinc/49/03/45/635490345.db2.gz BPYYQENRBUGFPS-ZDUSSCGKSA-N 0 0 276.380 2.580 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)C(C)=C(C)C)C2)cc1 ZINC000855230725 635490432 /nfs/dbraw/zinc/49/04/32/635490432.db2.gz IQTHBPSHAFLEOE-AWEZNQCLSA-N 0 0 288.391 2.746 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](CCF)C1 ZINC000855827550 635662615 /nfs/dbraw/zinc/66/26/15/635662615.db2.gz UYRBETLDRJKLCS-RYWCDNDXSA-N 0 0 293.338 2.709 20 10 CFCDRN CC(C)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000856191519 635751399 /nfs/dbraw/zinc/75/13/99/635751399.db2.gz HUZNGXZKAJWMGI-GQCTYLIASA-N 0 0 275.348 2.806 20 10 CFCDRN Cc1cc(C(=O)NOCC2CCC2)c(C)n1-c1ccccn1 ZINC000856346094 635788334 /nfs/dbraw/zinc/78/83/34/635788334.db2.gz OTOYAQJOMTVWTQ-UHFFFAOYSA-N 0 0 299.374 2.951 20 10 CFCDRN C/C=C/C=C/C(=O)NCCCSc1nccs1 ZINC000114374721 635833276 /nfs/dbraw/zinc/83/32/76/635833276.db2.gz DHOQOGAGQXGXHG-WJPDYIDTSA-N 0 0 268.407 2.874 20 10 CFCDRN CCc1ccc(C(=O)NCc2cc(OC)ccc2O)s1 ZINC000114543213 635838984 /nfs/dbraw/zinc/83/89/84/635838984.db2.gz KQGAINKHJSUWQM-UHFFFAOYSA-N 0 0 291.372 2.955 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000114542363 635839023 /nfs/dbraw/zinc/83/90/23/635839023.db2.gz CLVURBYUWQAJKH-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc(Cl)c1[O-] ZINC000857084643 635927496 /nfs/dbraw/zinc/92/74/96/635927496.db2.gz ZTFGKJWGVKQNNI-BXUZGUMPSA-N 0 0 296.798 2.707 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccnc1 ZINC000115281880 635982721 /nfs/dbraw/zinc/98/27/21/635982721.db2.gz LMOUWWNDOISKHP-UHFFFAOYSA-N 0 0 297.402 2.705 20 10 CFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000857547733 635983372 /nfs/dbraw/zinc/98/33/72/635983372.db2.gz RJBSNYVZVXMFLV-SNVBAGLBSA-N 0 0 290.750 2.861 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)no1 ZINC000115640426 636029374 /nfs/dbraw/zinc/02/93/74/636029374.db2.gz HXGMKZHWYVILCT-UHFFFAOYSA-N 0 0 288.351 2.679 20 10 CFCDRN O=C(CSc1nccs1)Nc1ccccc1 ZINC000047238640 650228989 /nfs/dbraw/zinc/22/89/89/650228989.db2.gz UJELMLIFDDZBBQ-UHFFFAOYSA-N 0 0 250.348 2.874 20 10 CFCDRN Cc1ccc(O)c(CN2Cc3ccccc3N(C)C(=O)C2)c1 ZINC000857880937 636045941 /nfs/dbraw/zinc/04/59/41/636045941.db2.gz PPQIPYUYBHIMDS-UHFFFAOYSA-N 0 0 296.370 2.679 20 10 CFCDRN CCc1cc(CNCc2cc(F)c(N(C)C)cc2F)on1 ZINC000858144175 636137757 /nfs/dbraw/zinc/13/77/57/636137757.db2.gz IPXWGNHJRQLQSQ-UHFFFAOYSA-N 0 0 295.333 2.871 20 10 CFCDRN CN(C)c1cc(F)c(CNc2ccc(CO)cn2)cc1F ZINC000858165261 636146114 /nfs/dbraw/zinc/14/61/14/636146114.db2.gz QMTCAIYVSGBJAO-UHFFFAOYSA-N 0 0 293.317 2.530 20 10 CFCDRN Oc1cccc(Br)c1CNC(CF)CF ZINC000858171492 636147494 /nfs/dbraw/zinc/14/74/94/636147494.db2.gz WULHZNVWALLLDK-UHFFFAOYSA-N 0 0 280.112 2.552 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)C2CCC2)c1 ZINC000858323993 636190103 /nfs/dbraw/zinc/19/01/03/636190103.db2.gz KPLZOFPDEAVFRT-LLVKDONJSA-N 0 0 262.353 2.688 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000858330948 636191962 /nfs/dbraw/zinc/19/19/62/636191962.db2.gz LPYLUVHIBSCMDU-DTORHVGOSA-N 0 0 273.735 2.699 20 10 CFCDRN CCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000047595897 650238433 /nfs/dbraw/zinc/23/84/33/650238433.db2.gz KXWQQUYSUSFBNA-UHFFFAOYSA-N 0 0 275.396 2.886 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](C)C2)c1 ZINC000858416306 636227482 /nfs/dbraw/zinc/22/74/82/636227482.db2.gz YRYNHGVDMHAIAX-YPMHNXCESA-N 0 0 276.380 2.936 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858445495 636243319 /nfs/dbraw/zinc/24/33/19/636243319.db2.gz LQYZHSKNSOLAJB-VXGBXAGGSA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858445494 636243645 /nfs/dbraw/zinc/24/36/45/636243645.db2.gz LQYZHSKNSOLAJB-RYUDHWBXSA-N 0 0 294.351 2.768 20 10 CFCDRN C[C@H]1CCC[C@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000158951077 650242765 /nfs/dbraw/zinc/24/27/65/650242765.db2.gz XGHKKFBGMVCTSQ-RYUDHWBXSA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2[nH]ccc21 ZINC000159078332 650246390 /nfs/dbraw/zinc/24/63/90/650246390.db2.gz HXFYTCMKYZGKTM-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC=CC1 ZINC000858719470 636331919 /nfs/dbraw/zinc/33/19/19/636331919.db2.gz NLSXMLTVGZCIRH-UHFFFAOYSA-N 0 0 287.407 2.826 20 10 CFCDRN Cc1cc(CN=c2nc[nH]n2C)c(C)n1-c1cccc(C)c1 ZINC000858801243 636347975 /nfs/dbraw/zinc/34/79/75/636347975.db2.gz ZYFILMYPQRWFPA-UHFFFAOYSA-N 0 0 295.390 2.565 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858889742 636373180 /nfs/dbraw/zinc/37/31/80/636373180.db2.gz LKNRNTVDWPIINR-FVCICTRLSA-N 0 0 288.391 2.936 20 10 CFCDRN C[C@H](NC(=O)OCCF)c1ccc(N(C)C)cc1 ZINC000859114480 636462085 /nfs/dbraw/zinc/46/20/85/636462085.db2.gz GUOFGCJNJBLNEX-JTQLQIEISA-N 0 0 254.305 2.509 20 10 CFCDRN CCOc1cccc(CCC(=O)NCc2ccc(N)cc2)c1 ZINC000859593121 636615372 /nfs/dbraw/zinc/61/53/72/636615372.db2.gz AQYTUQHVYVAMQS-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN O=C(Nc1ccccc1-n1cccn1)c1cccc(O)c1O ZINC000188176571 650318354 /nfs/dbraw/zinc/31/83/54/650318354.db2.gz PTLIJYGSMQDNFM-UHFFFAOYSA-N 0 0 295.298 2.536 20 10 CFCDRN CC/C(C)=C/C(=O)NCc1ccc2cccnc2c1O ZINC000862025967 637266109 /nfs/dbraw/zinc/26/61/09/637266109.db2.gz CXRASKLKWDCXER-PKNBQFBNSA-N 0 0 270.332 2.913 20 10 CFCDRN O=C(/C=C/C1CC1)NCc1ccc2cccnc2c1O ZINC000862027881 637266673 /nfs/dbraw/zinc/26/66/73/637266673.db2.gz IJEAYUAYRPQYCW-VMPITWQZSA-N 0 0 268.316 2.523 20 10 CFCDRN CCO[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C ZINC000862130109 637278911 /nfs/dbraw/zinc/27/89/11/637278911.db2.gz CKJUHDZWWJYKJF-ZDUSSCGKSA-N 0 0 285.771 2.723 20 10 CFCDRN Oc1cccc(Br)c1CN1CCSCC1 ZINC000862216449 637288095 /nfs/dbraw/zinc/28/80/95/637288095.db2.gz XBRGKCNXDYQRBB-UHFFFAOYSA-N 0 0 288.210 2.704 20 10 CFCDRN CN(C)c1cc(F)c(CN2CCOC[C@H]2C2CC2)cc1F ZINC000862249119 637298890 /nfs/dbraw/zinc/29/88/90/637298890.db2.gz WYPGHKSRBMVTQP-INIZCTEOSA-N 0 0 296.361 2.642 20 10 CFCDRN Cc1ccccc1C1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000188365557 650325321 /nfs/dbraw/zinc/32/53/21/650325321.db2.gz SGCWVCVTDOTCAV-UHFFFAOYSA-N 0 0 297.354 2.868 20 10 CFCDRN Cc1cccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1O ZINC000862365835 637337883 /nfs/dbraw/zinc/33/78/83/637337883.db2.gz XRWFZKUCIFSXHD-ZDUSSCGKSA-N 0 0 299.296 2.827 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)c1O ZINC000862437488 637377264 /nfs/dbraw/zinc/37/72/64/637377264.db2.gz GOAAFDIPJBBCHW-AOOOYVTPSA-N 0 0 299.317 2.770 20 10 CFCDRN COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862465118 637392070 /nfs/dbraw/zinc/39/20/70/637392070.db2.gz DMFMMKQGPJGCQL-NSHDSACASA-N 0 0 299.729 2.536 20 10 CFCDRN CCc1cccc(CNc2cnn(CCF)c2)c1O ZINC000862483530 637399463 /nfs/dbraw/zinc/39/94/63/637399463.db2.gz PNCARJCJLHTOIT-UHFFFAOYSA-N 0 0 263.316 2.733 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC23CC3)c1 ZINC000862753832 637478536 /nfs/dbraw/zinc/47/85/36/637478536.db2.gz ILAHLTQPQJBNRO-CYBMUJFWSA-N 0 0 259.349 2.897 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2c(C3CCC3)cnn2C)c1 ZINC000862754468 637479576 /nfs/dbraw/zinc/47/95/76/637479576.db2.gz YRELVDJLRLNVRZ-UHFFFAOYSA-N 0 0 299.374 2.632 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)CCCC2CCOCC2)c1 ZINC000862755777 637479727 /nfs/dbraw/zinc/47/97/27/637479727.db2.gz KQFOSBJLMGDWFV-UHFFFAOYSA-N 0 0 291.391 2.914 20 10 CFCDRN CCNc1nc(C(=O)NCc2cc(C)ccc2O)cs1 ZINC000862755337 637479833 /nfs/dbraw/zinc/47/98/33/637479833.db2.gz RNNJRKIGHPHQBP-UHFFFAOYSA-N 0 0 291.376 2.519 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H](O)CC(C)(C)C)c1 ZINC000862755862 637479941 /nfs/dbraw/zinc/47/99/41/637479941.db2.gz LOLFCSAQWBCXAA-ZDUSSCGKSA-N 0 0 279.380 2.504 20 10 CFCDRN CCOC1(C(=O)NCc2cc(C)ccc2O)CCCC1 ZINC000862756546 637480674 /nfs/dbraw/zinc/48/06/74/637480674.db2.gz ZZJUAGCEOCTFJJ-UHFFFAOYSA-N 0 0 277.364 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ncc(C)cc2C)c1 ZINC000862756998 637480915 /nfs/dbraw/zinc/48/09/15/637480915.db2.gz CQMWSYQPJCZKFL-UHFFFAOYSA-N 0 0 270.332 2.642 20 10 CFCDRN CCc1ccnc(C(=O)NCc2cc(C)ccc2O)c1 ZINC000862757233 637480937 /nfs/dbraw/zinc/48/09/37/637480937.db2.gz MJFDIPNYWONNTQ-UHFFFAOYSA-N 0 0 270.332 2.588 20 10 CFCDRN Cc1noc(Cl)c1CC(=O)NCc1cc(C)ccc1O ZINC000862758714 637481956 /nfs/dbraw/zinc/48/19/56/637481956.db2.gz IEVGVKQUJSJRPA-UHFFFAOYSA-N 0 0 294.738 2.509 20 10 CFCDRN COC1CCC(CC(=O)NCc2cc(C)ccc2O)CC1 ZINC000862757826 637482116 /nfs/dbraw/zinc/48/21/16/637482116.db2.gz FQTOJTAYWZLIDC-UHFFFAOYSA-N 0 0 291.391 2.912 20 10 CFCDRN C[C@H]1CC(F)(F)CCN1C(=O)C1=CC(=O)CS1 ZINC000863012004 637537527 /nfs/dbraw/zinc/53/75/27/637537527.db2.gz SVVHQLGMCYCOIT-ZETCQYMHSA-N 0 0 261.293 2.714 20 10 CFCDRN CC(C)c1c[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000863365176 637643078 /nfs/dbraw/zinc/64/30/78/637643078.db2.gz AXRPVIGYFVQUQF-UHFFFAOYSA-N 0 0 292.360 2.919 20 10 CFCDRN CN(CCOCCOc1ccccc1)c1ccc(N)cc1 ZINC000863557392 637694784 /nfs/dbraw/zinc/69/47/84/637694784.db2.gz NXQOKLNXLLDKPX-UHFFFAOYSA-N 0 0 286.375 2.801 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000863655410 637728016 /nfs/dbraw/zinc/72/80/16/637728016.db2.gz DJHCVACRFCOUKM-KIGUWFBYSA-N 0 0 287.363 2.770 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000863655412 637728808 /nfs/dbraw/zinc/72/88/08/637728808.db2.gz DJHCVACRFCOUKM-ZVXAKGHKSA-N 0 0 287.363 2.770 20 10 CFCDRN Cc1ccc(O)c(CNc2ccccc2O[C@H]2CC(=O)N2)c1 ZINC000864040476 637839158 /nfs/dbraw/zinc/83/91/58/637839158.db2.gz SUGSQHOIHNFQPP-KRWDZBQOSA-N 0 0 298.342 2.538 20 10 CFCDRN Cc1cccc(CNc2ccccc2O[C@H]2CC(=O)N2)c1O ZINC000864039837 637839204 /nfs/dbraw/zinc/83/92/04/637839204.db2.gz DJULSRXACYMONE-INIZCTEOSA-N 0 0 298.342 2.538 20 10 CFCDRN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000864049397 637843513 /nfs/dbraw/zinc/84/35/13/637843513.db2.gz HJEHBYPBRBOSHO-GASCZTMLSA-N 0 0 283.318 2.529 20 10 CFCDRN CCN1C(=O)/C(=C/c2oc(C)nc2C)SC1=S ZINC000864087240 637866973 /nfs/dbraw/zinc/86/69/73/637866973.db2.gz PSMWTUQLQPXHJO-UITAMQMPSA-N 0 0 268.363 2.513 20 10 CFCDRN Cc1cc(CNC(N)=O)c(C)n1-c1cccc(C)c1 ZINC000864404697 637963749 /nfs/dbraw/zinc/96/37/49/637963749.db2.gz LWNKRAUAWNDENU-UHFFFAOYSA-N 0 0 257.337 2.571 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573444 638030908 /nfs/dbraw/zinc/03/09/08/638030908.db2.gz LXYJHSPANCXWIQ-IPOQPSJVSA-N 0 0 272.392 2.661 20 10 CFCDRN C[C@@H]1CC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864638447 638054800 /nfs/dbraw/zinc/05/48/00/638054800.db2.gz FDJFYSUPGKWYCH-BXUZGUMPSA-N 0 0 272.352 2.800 20 10 CFCDRN CC[C@H]1COCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000120423262 638217816 /nfs/dbraw/zinc/21/78/16/638217816.db2.gz AUJCWTUNRCEWQD-ZDUSSCGKSA-N 0 0 266.360 2.503 20 10 CFCDRN CCCn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)nn1 ZINC000865226784 638228685 /nfs/dbraw/zinc/22/86/85/638228685.db2.gz XCKUAYYAOZSNKK-XNTDXEJSSA-N 0 0 294.358 2.522 20 10 CFCDRN COC(=O)c1cnc(SCOCC(C)C)s1 ZINC000865368828 638289099 /nfs/dbraw/zinc/28/90/99/638289099.db2.gz DQNCRYRYPXUSOJ-UHFFFAOYSA-N 0 0 261.368 2.652 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1 ZINC000120532229 638313387 /nfs/dbraw/zinc/31/33/87/638313387.db2.gz QPAPHDHUCZEPAX-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN CN1C(=O)c2ccccc2N[C@H]1c1cc(F)ccc1O ZINC000077472128 650427077 /nfs/dbraw/zinc/42/70/77/650427077.db2.gz ISENIDIUMMZQKS-CQSZACIVSA-N 0 0 272.279 2.728 20 10 CFCDRN CCOc1cccc(CNc2cnn3c2CCCC3)c1O ZINC000865709186 638528196 /nfs/dbraw/zinc/52/81/96/638528196.db2.gz DFEWWSNHDFOZHB-UHFFFAOYSA-N 0 0 287.363 2.936 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000865872984 638631847 /nfs/dbraw/zinc/63/18/47/638631847.db2.gz YFSZBVOHMYQKBQ-AWEZNQCLSA-N 0 0 287.363 2.612 20 10 CFCDRN C[C@@H](NC(=O)OCC(F)(F)F)c1ccccc1O ZINC000866161357 638760778 /nfs/dbraw/zinc/76/07/78/638760778.db2.gz NZFKAFOPFLNAOX-SSDOTTSWSA-N 0 0 263.215 2.742 20 10 CFCDRN CCOc1cc(N[C@@H](C)c2ccccc2O)ncn1 ZINC000866236380 638776655 /nfs/dbraw/zinc/77/66/55/638776655.db2.gz AGMPKSRMHZLKGA-JTQLQIEISA-N 0 0 259.309 2.754 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866415415 638817734 /nfs/dbraw/zinc/81/77/34/638817734.db2.gz UKPVMSYTLMWAQM-MNOVXSKESA-N 0 0 282.340 2.502 20 10 CFCDRN CC[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(F)cc1[O-] ZINC000866447324 638823846 /nfs/dbraw/zinc/82/38/46/638823846.db2.gz ZFXDIDBLYKBWMK-YXTWCTHCSA-N 0 0 291.366 2.995 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H](O)C(F)(F)F ZINC000866464828 638825864 /nfs/dbraw/zinc/82/58/64/638825864.db2.gz YZVBBELONLDSJN-WGDKSQQYSA-N 0 0 299.239 2.633 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)o2)c1 ZINC000866477944 638827541 /nfs/dbraw/zinc/82/75/41/638827541.db2.gz GHYPAMPXAZZEFQ-NSHDSACASA-N 0 0 289.331 2.931 20 10 CFCDRN COC(C)(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866504259 638831409 /nfs/dbraw/zinc/83/14/09/638831409.db2.gz CIXBVDQBQRUKTR-JTQLQIEISA-N 0 0 282.340 2.766 20 10 CFCDRN CCn1cc(C(=O)N(C)Cc2ccccc2O)c(C2CC2)n1 ZINC000866597185 638851174 /nfs/dbraw/zinc/85/11/74/638851174.db2.gz PAXYAKOCFDOCEN-UHFFFAOYSA-N 0 0 299.374 2.758 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1[nH]cnc1C(C)(C)C ZINC000866597361 638851687 /nfs/dbraw/zinc/85/16/87/638851687.db2.gz RHPJZCZNUFGCFU-UHFFFAOYSA-N 0 0 287.363 2.685 20 10 CFCDRN Cc1ccc(CCNC(=O)N[C@H](C)c2ccccc2O)o1 ZINC000868051463 638918971 /nfs/dbraw/zinc/91/89/71/638918971.db2.gz FVCFPZSQCDHDLE-GFCCVEGCSA-N 0 0 288.347 2.897 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000868163347 638926792 /nfs/dbraw/zinc/92/67/92/638926792.db2.gz NWCHEOYXEPHELH-CABCVRRESA-N 0 0 289.379 2.738 20 10 CFCDRN COCCCCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868176295 638928101 /nfs/dbraw/zinc/92/81/01/638928101.db2.gz ORKKNQXYKCPART-GFCCVEGCSA-N 0 0 280.368 2.569 20 10 CFCDRN CSC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868277793 638934183 /nfs/dbraw/zinc/93/41/83/638934183.db2.gz UJJDIBNFZIHVFK-ZJUUUORDSA-N 0 0 268.382 2.504 20 10 CFCDRN CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868476460 638948380 /nfs/dbraw/zinc/94/83/80/638948380.db2.gz LABSIHOFUMINKM-ZOWXZIJZSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000868473068 638948408 /nfs/dbraw/zinc/94/84/08/638948408.db2.gz LVJVHAWSVUKQGU-UPJWGTAASA-N 0 0 292.379 2.568 20 10 CFCDRN CCSCCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868581791 638958609 /nfs/dbraw/zinc/95/86/09/638958609.db2.gz UMSBEVMPGWITAV-LLVKDONJSA-N 0 0 282.409 2.896 20 10 CFCDRN COCC1(CNC(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000868581045 638958667 /nfs/dbraw/zinc/95/86/67/638958667.db2.gz JBACTCFCQBPLNY-LBPRGKRZSA-N 0 0 292.379 2.569 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)C(F)(F)F)c1ccccc1O 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C[C@H](NC(=O)NCC[C@H]1CCSC1)c1ccccc1O ZINC000868825585 638982968 /nfs/dbraw/zinc/98/29/68/638982968.db2.gz ZTHNPFJNAAWJKB-RYUDHWBXSA-N 0 0 294.420 2.896 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)F ZINC000868837516 638984577 /nfs/dbraw/zinc/98/45/77/638984577.db2.gz AETYVNVDPMZCKK-UHFFFAOYSA-N 0 0 281.375 2.608 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2cccnc2)C1 ZINC000869043973 639013080 /nfs/dbraw/zinc/01/30/80/639013080.db2.gz KFAQVTUXDYWCLS-LBPRGKRZSA-N 0 0 288.372 2.869 20 10 CFCDRN CCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000869146778 639044139 /nfs/dbraw/zinc/04/41/39/639044139.db2.gz LPJJJZLUBFOQRA-UHFFFAOYSA-N 0 0 293.754 2.500 20 10 CFCDRN CCOC1CC2(C[C@H]2C(=O)NCc2cc(C)ccc2O)C1 ZINC000869409620 639215405 /nfs/dbraw/zinc/21/54/05/639215405.db2.gz BUKRWLGUISEBRN-UUCFBXCCSA-N 0 0 289.375 2.522 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC(O)C1 ZINC000191155321 650481421 /nfs/dbraw/zinc/48/14/21/650481421.db2.gz QPHXEVYOPUFJID-UHFFFAOYSA-N 0 0 290.190 2.902 20 10 CFCDRN CC1(C)CCC[C@@](O)(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000870015969 639499601 /nfs/dbraw/zinc/49/96/01/639499601.db2.gz IGTNFUIJHFFOSR-HNNXBMFYSA-N 0 0 297.420 2.905 20 10 CFCDRN O=C(NCCCc1cccc(F)c1)c1cccc(O)c1O ZINC000193062019 650620294 /nfs/dbraw/zinc/62/02/94/650620294.db2.gz PZWVMFCPRCZKNJ-UHFFFAOYSA-N 0 0 289.306 2.600 20 10 CFCDRN Cc1cc(Cl)ncc1NC(=O)c1cccc(O)c1O ZINC000193138194 650626617 /nfs/dbraw/zinc/62/66/17/650626617.db2.gz PITYNJHNVJTBJU-UHFFFAOYSA-N 0 0 278.695 2.707 20 10 CFCDRN CN(CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000080012060 650636235 /nfs/dbraw/zinc/63/62/35/650636235.db2.gz GEOAPFHLWOADDI-UHFFFAOYSA-N 0 0 287.407 2.838 20 10 CFCDRN Cc1nc(CCC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871202391 641241466 /nfs/dbraw/zinc/24/14/66/641241466.db2.gz GJCUDZOYUSVBRW-UHFFFAOYSA-N 0 0 288.372 2.632 20 10 CFCDRN CCOCCC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871202593 641241880 /nfs/dbraw/zinc/24/18/80/641241880.db2.gz BVXSIGUJUQFUMI-UHFFFAOYSA-N 0 0 289.375 2.831 20 10 CFCDRN CCO[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871202674 641241884 /nfs/dbraw/zinc/24/18/84/641241884.db2.gz DOMRHEXUUSBJMV-HNNXBMFYSA-N 0 0 277.364 2.686 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203580 641243138 /nfs/dbraw/zinc/24/31/38/641243138.db2.gz CKEGTWHXJUDDGD-UHFFFAOYSA-N 0 0 284.315 2.722 20 10 CFCDRN Cc1[nH]nc(C(C)C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202968 641243155 /nfs/dbraw/zinc/24/31/55/641243155.db2.gz IFBJXBHZSWBBGJ-UHFFFAOYSA-N 0 0 285.347 2.703 20 10 CFCDRN Cc1noc(C2CC2)c1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205094 641243687 /nfs/dbraw/zinc/24/36/87/641243687.db2.gz WBCBJEQTYGFOKD-UHFFFAOYSA-N 0 0 284.315 2.722 20 10 CFCDRN CCOc1nc(C)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205267 641243813 /nfs/dbraw/zinc/24/38/13/641243813.db2.gz XVZPOFFQSGLYRA-UHFFFAOYSA-N 0 0 298.342 2.650 20 10 CFCDRN O=C([C@@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000871204189 641244044 /nfs/dbraw/zinc/24/40/44/641244044.db2.gz ASEYNEMDCBLBEO-SECBINFHSA-N 0 0 267.275 2.670 20 10 CFCDRN 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CFCDRN Cc1cc(N2Cc3cccc(O)c3C2)c2cnn(C)c2n1 ZINC000872622557 641879201 /nfs/dbraw/zinc/87/92/01/641879201.db2.gz GZBUNFFAIUYSSF-UHFFFAOYSA-N 0 0 280.331 2.503 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Cc2ccsc2)cc1F ZINC000194892505 650732583 /nfs/dbraw/zinc/73/25/83/650732583.db2.gz SKHNIYDQCVWCMA-UHFFFAOYSA-N 0 0 292.379 2.812 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)n1C ZINC000195090650 650738392 /nfs/dbraw/zinc/73/83/92/650738392.db2.gz IISKQCHIKSJGBN-UHFFFAOYSA-N 0 0 297.402 2.646 20 10 CFCDRN CCN(CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873978512 642314861 /nfs/dbraw/zinc/31/48/61/642314861.db2.gz JBHIJHRITTWPDQ-UHFFFAOYSA-N 0 0 276.340 2.967 20 10 CFCDRN CC1(C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874340326 642370890 /nfs/dbraw/zinc/37/08/90/642370890.db2.gz OYTNNSVSWDQPNA-UHFFFAOYSA-N 0 0 274.324 2.864 20 10 CFCDRN CSC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000124977997 642377302 /nfs/dbraw/zinc/37/73/02/642377302.db2.gz PVSBNBZXLWDOOX-QMMMGPOBSA-N 0 0 290.226 2.996 20 10 CFCDRN 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C/C=C\CNC(=O)NCCCSc1nccs1 ZINC000875375250 642615908 /nfs/dbraw/zinc/61/59/08/642615908.db2.gz YTKUKWQJSRGOIM-IHWYPQMZSA-N 0 0 271.411 2.501 20 10 CFCDRN O=C(N[C@@H]1CC2CCC1CC2)N1Cc2cccc(O)c2C1 ZINC000875392123 642617074 /nfs/dbraw/zinc/61/70/74/642617074.db2.gz BZRUHWVERFMEON-KOHJWAIASA-N 0 0 286.375 2.996 20 10 CFCDRN O=C(N[C@H]1CC2CCC1CC2)N1Cc2cccc(O)c2C1 ZINC000875392124 642617206 /nfs/dbraw/zinc/61/72/06/642617206.db2.gz BZRUHWVERFMEON-QOZQQMKHSA-N 0 0 286.375 2.996 20 10 CFCDRN O=C(NC1CCC(F)(F)CC1)N1Cc2cccc(O)c2C1 ZINC000875433751 642622176 /nfs/dbraw/zinc/62/21/76/642622176.db2.gz WCUOLEGXMRXYEB-UHFFFAOYSA-N 0 0 296.317 2.995 20 10 CFCDRN CC1(C)CC(CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875520269 642634907 /nfs/dbraw/zinc/63/49/07/642634907.db2.gz PZCVBIQGUKZRNE-UHFFFAOYSA-N 0 0 274.364 2.854 20 10 CFCDRN O=C(NC[C@@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875641188 642657684 /nfs/dbraw/zinc/65/76/84/642657684.db2.gz FKQHUSBPXZQQEG-NSHDSACASA-N 0 0 296.317 2.853 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875660622 642661458 /nfs/dbraw/zinc/66/14/58/642661458.db2.gz KVUCGJROGPPSFQ-ZBFHGGJFSA-N 0 0 274.364 2.852 20 10 CFCDRN C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccn1 ZINC000875710855 642673142 /nfs/dbraw/zinc/67/31/42/642673142.db2.gz RREYFQCENZWMSE-CHWSQXEVSA-N 0 0 299.374 2.951 20 10 CFCDRN CCC[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)OCC ZINC000875781592 642688665 /nfs/dbraw/zinc/68/86/65/642688665.db2.gz DVKDFFPDTKMBFK-ZDUSSCGKSA-N 0 0 292.379 2.623 20 10 CFCDRN O=C(NCC[C@H]1CCSC1)N1Cc2cccc(O)c2C1 ZINC000875935536 642720234 /nfs/dbraw/zinc/72/02/34/642720234.db2.gz PHJVKRYKSHUNTE-NSHDSACASA-N 0 0 292.404 2.561 20 10 CFCDRN O=C(NCC[C@H]1CCCS1)N1Cc2cccc(O)c2C1 ZINC000876047603 642759371 /nfs/dbraw/zinc/75/93/71/642759371.db2.gz GZGFMPDKZGNDTF-GFCCVEGCSA-N 0 0 292.404 2.703 20 10 CFCDRN O=C(NCC[C@@H]1CCCS1)N1Cc2cccc(O)c2C1 ZINC000876047604 642759421 /nfs/dbraw/zinc/75/94/21/642759421.db2.gz GZGFMPDKZGNDTF-LBPRGKRZSA-N 0 0 292.404 2.703 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000876527364 642905500 /nfs/dbraw/zinc/90/55/00/642905500.db2.gz BHUQVWLIFFLLSL-LSDHHAIUSA-N 0 0 286.400 2.793 20 10 CFCDRN [O-]c1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876619566 642947900 /nfs/dbraw/zinc/94/79/00/642947900.db2.gz BIRNFDVZMQSQLM-CYBMUJFWSA-N 0 0 296.361 2.731 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc(F)c1F ZINC000876741789 642989117 /nfs/dbraw/zinc/98/91/17/642989117.db2.gz SPFRSLLXGACOIA-UHFFFAOYSA-N 0 0 293.317 2.773 20 10 CFCDRN [O-]c1c(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc(F)c1F ZINC000876759406 642998724 /nfs/dbraw/zinc/99/87/24/642998724.db2.gz PUBINJPNRAAQGM-GFCCVEGCSA-N 0 0 296.361 2.588 20 10 CFCDRN Cc1ccc(CNc2ccc(CC(=O)N(C)C)cc2)c(O)c1 ZINC000876821207 643026104 /nfs/dbraw/zinc/02/61/04/643026104.db2.gz CLNCTCOPCZKDBT-UHFFFAOYSA-N 0 0 298.386 2.943 20 10 CFCDRN Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876916257 643063523 /nfs/dbraw/zinc/06/35/23/643063523.db2.gz PMTOMVPZXVPRFS-SNVBAGLBSA-N 0 0 295.333 2.601 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2COc3ccccc3C2)ccc(F)c1F ZINC000876975793 643089119 /nfs/dbraw/zinc/08/91/19/643089119.db2.gz KVLQXZSZSPGABO-LBPRGKRZSA-N 0 0 291.297 2.764 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]2CCO[C@H]21 ZINC000877058319 643125552 /nfs/dbraw/zinc/12/55/52/643125552.db2.gz AFVXDAOUOJKUJS-CUOATXAZSA-N 0 0 283.318 2.574 20 10 CFCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877073252 643135113 /nfs/dbraw/zinc/13/51/13/643135113.db2.gz GSTQSFWJWYAYOF-JTQLQIEISA-N 0 0 278.302 2.786 20 10 CFCDRN CN(C(=O)c1cnn(CC2CCCC2)c1)c1ccc(N)cc1 ZINC000877074507 643136339 /nfs/dbraw/zinc/13/63/39/643136339.db2.gz MMKAHGPRCLATNI-UHFFFAOYSA-N 0 0 298.390 2.932 20 10 CFCDRN CN(C(=O)[C@@H]1COC[C@@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877075101 643137661 /nfs/dbraw/zinc/13/76/61/643137661.db2.gz ZJEYVAHCUUCGFK-IAGOWNOFSA-N 0 0 296.370 2.662 20 10 CFCDRN CCO[C@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1 ZINC000877076777 643138060 /nfs/dbraw/zinc/13/80/60/643138060.db2.gz QRAUHHDSAHUXPA-HNNXBMFYSA-N 0 0 276.380 2.827 20 10 CFCDRN CN(C(=O)c1ccc2c(n1)CCCC2)c1ccc(N)cc1 ZINC000877076253 643138175 /nfs/dbraw/zinc/13/81/75/643138175.db2.gz PAGPOEQNKGTCAL-UHFFFAOYSA-N 0 0 281.359 2.819 20 10 CFCDRN Cc1[nH]nc(C(C)C)c1C(=O)N(C)c1ccc(N)cc1 ZINC000877076236 643138576 /nfs/dbraw/zinc/13/85/76/643138576.db2.gz OWCXWCJSKQURDW-UHFFFAOYSA-N 0 0 272.352 2.700 20 10 CFCDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)c1cccnc1 ZINC000877077294 643138733 /nfs/dbraw/zinc/13/87/33/643138733.db2.gz BSXUAELZCDUAJM-GFCCVEGCSA-N 0 0 269.348 2.820 20 10 CFCDRN CC(=O)c1c(C)[nH]c(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000877078861 643139085 /nfs/dbraw/zinc/13/90/85/643139085.db2.gz HYWLWJNBUMJQJP-UHFFFAOYSA-N 0 0 285.347 2.693 20 10 CFCDRN C[C@H]1CC[C@@H](CCC(=O)N(C)c2ccc(N)cc2)O1 ZINC000877077821 643139447 /nfs/dbraw/zinc/13/94/47/643139447.db2.gz VRONEKJKXJZUFI-FZMZJTMJSA-N 0 0 262.353 2.579 20 10 CFCDRN CCc1nc(C)c(C(=O)N(C)c2ccc(N)cc2)s1 ZINC000877078210 643139500 /nfs/dbraw/zinc/13/95/00/643139500.db2.gz IEJFFIHXFUILKQ-UHFFFAOYSA-N 0 0 275.377 2.873 20 10 CFCDRN Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877079189 643139660 /nfs/dbraw/zinc/13/96/60/643139660.db2.gz UMGKLSXJPMQTDD-AWEZNQCLSA-N 0 0 293.313 2.802 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc(F)c1F ZINC000877083566 643142750 /nfs/dbraw/zinc/14/27/50/643142750.db2.gz AEZUXIWRXAKMKW-CYZMBNFOSA-N 0 0 283.318 2.718 20 10 CFCDRN O=C(NCc1ccc(F)c(Cl)c1)c1cccc(O)c1O ZINC000126385126 643188962 /nfs/dbraw/zinc/18/89/62/643188962.db2.gz FNHJSQNMODUSLH-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN Cc1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000126388878 643188984 /nfs/dbraw/zinc/18/89/84/643188984.db2.gz JUCQTUIAOMSHMF-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN CC1CCC(CNC(=O)c2cccc(O)c2O)CC1 ZINC000126406404 643206071 /nfs/dbraw/zinc/20/60/71/643206071.db2.gz ZGQFOEVQWYGIJL-UHFFFAOYSA-N 0 0 263.337 2.654 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000126453943 643230599 /nfs/dbraw/zinc/23/05/99/643230599.db2.gz FHWKVVJYHLPHLW-JQWIXIFHSA-N 0 0 261.321 2.503 20 10 CFCDRN COc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1 ZINC000126466341 643234230 /nfs/dbraw/zinc/23/42/30/643234230.db2.gz ZSZJQOXMCCFTCJ-JTQLQIEISA-N 0 0 287.315 2.597 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCC[C@@H]1CCO1 ZINC000877372923 643249295 /nfs/dbraw/zinc/24/92/95/643249295.db2.gz KCTMUDDZYLQBKO-CQSZACIVSA-N 0 0 276.380 2.521 20 10 CFCDRN CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000126538114 643289679 /nfs/dbraw/zinc/28/96/79/643289679.db2.gz ZMFUFRNGIJMQCE-SNVBAGLBSA-N 0 0 263.337 2.606 20 10 CFCDRN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487170 643302240 /nfs/dbraw/zinc/30/22/40/643302240.db2.gz VVGTVYBPSRTVRB-JQWIXIFHSA-N 0 0 285.334 2.796 20 10 CFCDRN Cc1cccc(O)c1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000877505767 643315355 /nfs/dbraw/zinc/31/53/55/643315355.db2.gz YFWJECFDISVWSG-UHFFFAOYSA-N 0 0 287.334 2.543 20 10 CFCDRN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877521237 643325792 /nfs/dbraw/zinc/32/57/92/643325792.db2.gz TWAKJAJUSJICMX-HNNXBMFYSA-N 0 0 290.407 2.581 20 10 CFCDRN Cc1ccc(CN2C[C@@H](CO)Cc3ccccc32)c(O)c1 ZINC000877544333 643346168 /nfs/dbraw/zinc/34/61/68/643346168.db2.gz VWLRTJAPGFEVMB-AWEZNQCLSA-N 0 0 283.371 2.872 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H](CO)c2ccccc21 ZINC000877550417 643350652 /nfs/dbraw/zinc/35/06/52/643350652.db2.gz PGAZVPOUSHWQAG-ZDUSSCGKSA-N 0 0 269.344 2.797 20 10 CFCDRN Cc1ccc(CN[C@H](C(=O)OC(C)C)C(C)C)c(O)c1 ZINC000877567591 643366578 /nfs/dbraw/zinc/36/65/78/643366578.db2.gz YPRAVBSNSOVGQH-HNNXBMFYSA-N 0 0 279.380 2.766 20 10 CFCDRN CC1(C)C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877578205 643375736 /nfs/dbraw/zinc/37/57/36/643375736.db2.gz YQGFKLMINUXGPM-JTQLQIEISA-N 0 0 285.334 2.965 20 10 CFCDRN COC1([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877590674 643384751 /nfs/dbraw/zinc/38/47/51/643384751.db2.gz DEDCOUWBPAVQCE-SECBINFHSA-N 0 0 271.307 2.718 20 10 CFCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)C(C)C ZINC000877590794 643385047 /nfs/dbraw/zinc/38/50/47/643385047.db2.gz HOYRIKSBSQHLRX-DGCLKSJQSA-N 0 0 273.323 2.556 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CCOCC2)cc1 ZINC000877609115 643396121 /nfs/dbraw/zinc/39/61/21/643396121.db2.gz HTEKUZXKJAKFAR-INIZCTEOSA-N 0 0 279.380 2.573 20 10 CFCDRN Cc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000877617678 643404271 /nfs/dbraw/zinc/40/42/71/643404271.db2.gz ZPOVHELGHQFHJE-HNNXBMFYSA-N 0 0 298.386 2.567 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)ccc(F)c1F ZINC000877629799 643413907 /nfs/dbraw/zinc/41/39/07/643413907.db2.gz VZPXVVXDERXVPK-ZIAGYGMSSA-N 0 0 291.297 2.938 20 10 CFCDRN Cc1ccc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c(O)c1 ZINC000877648233 643430012 /nfs/dbraw/zinc/43/00/12/643430012.db2.gz MRSOZBVOHJZIAZ-UHFFFAOYSA-N 0 0 287.363 2.530 20 10 CFCDRN Cc1cccc(O)c1CNc1cncc(N(C)C)c1 ZINC000877667085 643443058 /nfs/dbraw/zinc/44/30/58/643443058.db2.gz CTEANZXVQAMACM-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN Oc1cccc2c1CN(Cc1cnc(C3CC3)nc1)C2 ZINC000877702756 643467323 /nfs/dbraw/zinc/46/73/23/643467323.db2.gz GLIQZXGGNLIIQX-UHFFFAOYSA-N 0 0 267.332 2.575 20 10 CFCDRN COc1cc2c(cc1CN1Cc3cccc(O)c3C1)OCO2 ZINC000877703021 643468348 /nfs/dbraw/zinc/46/83/48/643468348.db2.gz OTQNCLMSNLCVAT-UHFFFAOYSA-N 0 0 299.326 2.645 20 10 CFCDRN COCCc1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877702984 643468767 /nfs/dbraw/zinc/46/87/67/643468767.db2.gz NDHGKHDLZOHYQT-UHFFFAOYSA-N 0 0 290.388 2.553 20 10 CFCDRN COC(=O)C[C@](C)([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000877706119 643471996 /nfs/dbraw/zinc/47/19/96/643471996.db2.gz AFNANSCJSVVCCD-HNNXBMFYSA-N 0 0 297.782 2.867 20 10 CFCDRN CCOc1ccc(O)c(CN2CC(OC(C)(C)C)C2)c1 ZINC000877771939 643551303 /nfs/dbraw/zinc/55/13/03/643551303.db2.gz GTPNABDWCZGDBY-UHFFFAOYSA-N 0 0 279.380 2.790 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)ccc(F)c1F ZINC000877805482 643566922 /nfs/dbraw/zinc/56/69/22/643566922.db2.gz JXHPILSBOKNTAA-GAFUQQFSSA-N 0 0 283.318 2.718 20 10 CFCDRN COc1cccc2c1O[C@@H](c1cc(C)c(C)cc1O)NC2=O ZINC000877843137 643606666 /nfs/dbraw/zinc/60/66/66/643606666.db2.gz NOSFFNDGWIPIHN-KRWDZBQOSA-N 0 0 299.326 2.839 20 10 CFCDRN COc1cccc([C@@H]2Nc3ccc(C)cc3C(=O)N2)c1O ZINC000877860891 643609652 /nfs/dbraw/zinc/60/96/52/643609652.db2.gz CARQCUQQVQTEFB-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(C3CC3)o2)cc1 ZINC000877974774 643674981 /nfs/dbraw/zinc/67/49/81/643674981.db2.gz CVTBBCZYLSBSNY-UHFFFAOYSA-N 0 0 299.374 2.890 20 10 CFCDRN CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000126928652 643763779 /nfs/dbraw/zinc/76/37/79/643763779.db2.gz NELZDEWRHYMUFU-UHFFFAOYSA-N 0 0 285.771 2.819 20 10 CFCDRN Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)nc1 ZINC000126954356 643775923 /nfs/dbraw/zinc/77/59/23/643775923.db2.gz NDRVHJSAUWFNIB-UHFFFAOYSA-N 0 0 255.365 2.746 20 10 CFCDRN COc1ccc(N(C)Cc2ccns2)c(OC)c1 ZINC000878294754 643825700 /nfs/dbraw/zinc/82/57/00/643825700.db2.gz OJOWZWNPFYIFMT-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN CCOc1ccc(N(Cc2ncnn2C)CC2CC2)cc1 ZINC000879116948 644149507 /nfs/dbraw/zinc/14/95/07/644149507.db2.gz FAKFTZOHLLWVCX-UHFFFAOYSA-N 0 0 286.379 2.630 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(OC)c(O)c1 ZINC000127697423 644246729 /nfs/dbraw/zinc/24/67/29/644246729.db2.gz RIUDZCNNIYRMQU-UHFFFAOYSA-N 0 0 285.343 2.972 20 10 CFCDRN C[C@@H](NCc1nnc(C2CC2)o1)c1ccccc1O ZINC000879648936 644362349 /nfs/dbraw/zinc/36/23/49/644362349.db2.gz GUYPNZYRLAEZGI-SECBINFHSA-N 0 0 259.309 2.503 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000092086230 650915305 /nfs/dbraw/zinc/91/53/05/650915305.db2.gz SENAVUVOCSJWGQ-AOOOYVTPSA-N 0 0 265.328 2.822 20 10 CFCDRN CCn1ncc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC000880101793 644532650 /nfs/dbraw/zinc/53/26/50/644532650.db2.gz QARAANVZHWMGKH-NSHDSACASA-N 0 0 288.351 2.800 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCSC(C)(C)C2)c(O)c1O ZINC000888802863 644581643 /nfs/dbraw/zinc/58/16/43/644581643.db2.gz LUJBGFLKQXRODC-JTQLQIEISA-N 0 0 295.404 2.810 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000128591402 644817946 /nfs/dbraw/zinc/81/79/46/644817946.db2.gz FCPYXVKFTTYBNE-GFCCVEGCSA-N 0 0 275.396 2.740 20 10 CFCDRN CCN(C)c1ccc(Cn2cc(CSC)nn2)cc1 ZINC000881313808 644949926 /nfs/dbraw/zinc/94/99/26/644949926.db2.gz UKUQUHKABLGVSB-UHFFFAOYSA-N 0 0 276.409 2.646 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440475 644975387 /nfs/dbraw/zinc/97/53/87/644975387.db2.gz CQASDTDFHBVMPT-COPLHBTASA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)c1ccccc1O ZINC000881440477 644975635 /nfs/dbraw/zinc/97/56/35/644975635.db2.gz CQASDTDFHBVMPT-JTNHKYCSSA-N 0 0 299.374 2.659 20 10 CFCDRN Cc1cncnc1NCc1ccc2c(c1)CCCN2C ZINC000881867714 645144501 /nfs/dbraw/zinc/14/45/01/645144501.db2.gz UOXDBMNVZKLLQR-UHFFFAOYSA-N 0 0 268.364 2.780 20 10 CFCDRN COc1cccc(CNc2nnc(C(C)(C)C)o2)c1O ZINC000881909422 645151846 /nfs/dbraw/zinc/15/18/46/645151846.db2.gz KMYSSWXPDGKZAJ-UHFFFAOYSA-N 0 0 277.324 2.693 20 10 CFCDRN C[C@@H](Nc1ncc(C=O)cn1)c1ccc(N(C)C)cc1 ZINC000882202648 645242520 /nfs/dbraw/zinc/24/25/20/645242520.db2.gz FPWAYZKMTAIRDR-LLVKDONJSA-N 0 0 270.336 2.528 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000129689718 645345936 /nfs/dbraw/zinc/34/59/36/645345936.db2.gz PCAAHIBPNLQRKM-CQSZACIVSA-N 0 0 297.402 2.958 20 10 CFCDRN CC(C)(C)c1nnc(N2Cc3cccc(O)c3C2)o1 ZINC000882689987 645410944 /nfs/dbraw/zinc/41/09/44/645410944.db2.gz HPNGWJVRNDQZRK-UHFFFAOYSA-N 0 0 259.309 2.593 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC(F)CC2)cc1OC ZINC000882806410 645464976 /nfs/dbraw/zinc/46/49/76/645464976.db2.gz YVBJESJACUNQLS-UHFFFAOYSA-N 0 0 284.287 2.550 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]2CCCO[C@H]21 ZINC000883018403 645565270 /nfs/dbraw/zinc/56/52/70/645565270.db2.gz BIQFDXDARYXDCO-KCPJHIHWSA-N 0 0 297.345 2.964 20 10 CFCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883018451 645565472 /nfs/dbraw/zinc/56/54/72/645565472.db2.gz CQSVORGSZGSTEM-VIFPVBQESA-N 0 0 273.323 2.964 20 10 CFCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026171 645568487 /nfs/dbraw/zinc/56/84/87/645568487.db2.gz KUZCIJXUCJKONA-CABZTGNLSA-N 0 0 273.323 2.557 20 10 CFCDRN CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026053 645568670 /nfs/dbraw/zinc/56/86/70/645568670.db2.gz HCDBDQKNGXXTRM-LLVKDONJSA-N 0 0 287.350 2.805 20 10 CFCDRN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029564 645571126 /nfs/dbraw/zinc/57/11/26/645571126.db2.gz YMCJLFZRPBVTJY-JTQLQIEISA-N 0 0 278.302 2.786 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000883048569 645582543 /nfs/dbraw/zinc/58/25/43/645582543.db2.gz RCNHERCBRXAEHP-GFCCVEGCSA-N 0 0 279.290 2.561 20 10 CFCDRN COCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000883139306 645622346 /nfs/dbraw/zinc/62/23/46/645622346.db2.gz IMYYIROWJUGQOA-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN COC1([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883146401 645624471 /nfs/dbraw/zinc/62/44/71/645624471.db2.gz LVKJIDKKTAXSRM-VIFPVBQESA-N 0 0 271.307 2.718 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(F)cc1[O-] ZINC000883319494 645737665 /nfs/dbraw/zinc/73/76/65/645737665.db2.gz DQAXYSUBRIATOT-SUHUHFCYSA-N 0 0 267.344 2.997 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883388555 645785756 /nfs/dbraw/zinc/78/57/56/645785756.db2.gz XKUCQBWEIAGHGC-UHFFFAOYSA-N 0 0 283.318 2.719 20 10 CFCDRN COc1ccc(N2CCC(N[C@@H](C)C(F)F)CC2)cc1 ZINC000883398994 645795554 /nfs/dbraw/zinc/79/55/54/645795554.db2.gz AFSRNAZFICOLSZ-NSHDSACASA-N 0 0 284.350 2.907 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCCCSc1nccs1 ZINC000132748145 645960505 /nfs/dbraw/zinc/96/05/05/645960505.db2.gz HXVCPJYGQKPKHT-SNVBAGLBSA-N 0 0 288.438 2.557 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@]2(C)CC2(C)C)c(O)c1 ZINC000883818641 645986691 /nfs/dbraw/zinc/98/66/91/645986691.db2.gz ZJFJVKGOCLFAQD-INIZCTEOSA-N 0 0 292.379 2.636 20 10 CFCDRN C=C/C=C/CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000883826043 645988650 /nfs/dbraw/zinc/98/86/50/645988650.db2.gz ZAHLNOFOHDYKNK-FYJFLYSWSA-N 0 0 290.363 2.893 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1(C)CC(F)(F)C1 ZINC000883867195 646011329 /nfs/dbraw/zinc/01/13/29/646011329.db2.gz DMWFWGNVOMOIEO-UHFFFAOYSA-N 0 0 298.333 2.969 20 10 CFCDRN CC[C@@H](CSC)NC(=O)Nc1ccc(N)cc1 ZINC000133111048 646031008 /nfs/dbraw/zinc/03/10/08/646031008.db2.gz IOUHBTCJHJPDMP-JTQLQIEISA-N 0 0 253.371 2.532 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC2CC2)c1 ZINC000133214262 646058525 /nfs/dbraw/zinc/05/85/25/646058525.db2.gz HYACYKKUDVBCPA-NSHDSACASA-N 0 0 292.379 2.951 20 10 CFCDRN CCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000883998236 646082682 /nfs/dbraw/zinc/08/26/82/646082682.db2.gz ABDNRBNZLBCLQZ-UHFFFAOYSA-N 0 0 299.422 2.529 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890212361 646093068 /nfs/dbraw/zinc/09/30/68/646093068.db2.gz HXRWMHTUYDMVMR-VIFPVBQESA-N 0 0 294.401 2.615 20 10 CFCDRN O=C(NCCCSc1nccs1)c1ccncc1F ZINC000133472427 646096573 /nfs/dbraw/zinc/09/65/73/646096573.db2.gz FFYMTDVCQYXICK-UHFFFAOYSA-N 0 0 297.380 2.589 20 10 CFCDRN CC(C)c1scnc1C(=O)NCCc1ccc(N)cc1 ZINC000884028204 646120078 /nfs/dbraw/zinc/12/00/78/646120078.db2.gz AGIJAMSETQLAQM-UHFFFAOYSA-N 0 0 289.404 2.821 20 10 CFCDRN Oc1ccccc1CNc1ncnc2ccccc21 ZINC000133739544 646218293 /nfs/dbraw/zinc/21/82/93/646218293.db2.gz USEWZVISQYMKQL-UHFFFAOYSA-N 0 0 251.289 2.948 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc(F)cc1 ZINC000133743878 646218367 /nfs/dbraw/zinc/21/83/67/646218367.db2.gz RRIAFJMLFNVGRD-UHFFFAOYSA-N 0 0 260.268 2.853 20 10 CFCDRN CC(=O)c1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000133746300 646219647 /nfs/dbraw/zinc/21/96/47/646219647.db2.gz GULMVULQQFQOGS-UHFFFAOYSA-N 0 0 284.315 2.917 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1Cc2ccccc2S1 ZINC000133763226 646224183 /nfs/dbraw/zinc/22/41/83/646224183.db2.gz BTKYMYHNAJBMOI-OAHLLOKOSA-N 0 0 285.368 2.725 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000133795962 646229056 /nfs/dbraw/zinc/22/90/56/646229056.db2.gz QSCLBWXVMUZIGO-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN CCn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C1CC1 ZINC000884441615 646360319 /nfs/dbraw/zinc/36/03/19/646360319.db2.gz MEIPYOVTKFAQTO-UHFFFAOYSA-N 0 0 284.363 2.639 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1cccc(OC)c1O ZINC000134978762 646422783 /nfs/dbraw/zinc/42/27/83/646422783.db2.gz LXOOGLSOTZFBLH-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3ncc(C)o3)C2)cc1 ZINC000884535824 646429917 /nfs/dbraw/zinc/42/99/17/646429917.db2.gz MJWNFOPFCXZIJL-ZDUSSCGKSA-N 0 0 287.363 2.930 20 10 CFCDRN COCCOC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000884968098 646572605 /nfs/dbraw/zinc/57/26/05/646572605.db2.gz OTEFMHOIUZUSRH-UHFFFAOYSA-N 0 0 292.379 2.500 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@@H]1C[C@]12CCOC2 ZINC000885946002 646778203 /nfs/dbraw/zinc/77/82/03/646778203.db2.gz BEUXCHROHCFHJH-YOEHRIQHSA-N 0 0 273.376 2.874 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1OC ZINC000885965855 646788210 /nfs/dbraw/zinc/78/82/10/646788210.db2.gz WPIKPVUNJSVOII-MLGOLLRUSA-N 0 0 277.364 2.567 20 10 CFCDRN Oc1ccccc1CNc1cccc(-n2ccnn2)c1 ZINC000136831433 646869880 /nfs/dbraw/zinc/86/98/80/646869880.db2.gz KHQLFFABUXKRRW-UHFFFAOYSA-N 0 0 266.304 2.585 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886520461 647027131 /nfs/dbraw/zinc/02/71/31/647027131.db2.gz FNQJUENUOAUNQS-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886525998 647029297 /nfs/dbraw/zinc/02/92/97/647029297.db2.gz CJHMGNAPDFCDDC-CWSCBRNRSA-N 0 0 255.333 2.589 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526189 647029860 /nfs/dbraw/zinc/02/98/60/647029860.db2.gz HCTAEGBIHUNUEZ-QMTHXVAHSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886528205 647031070 /nfs/dbraw/zinc/03/10/70/647031070.db2.gz INBXJFQCGSGORO-TZMCWYRMSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1c([O-])cccc1F ZINC000886532520 647033474 /nfs/dbraw/zinc/03/34/74/647033474.db2.gz KNCFNYZRTULTTG-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1c([O-])cccc1F ZINC000886537352 647035787 /nfs/dbraw/zinc/03/57/87/647035787.db2.gz YPLHRQQXPVCYQU-NLTNOIMHSA-N 0 0 267.344 2.876 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886538418 647036953 /nfs/dbraw/zinc/03/69/53/647036953.db2.gz HMFGAWXBLWCZPX-MNOVXSKESA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1c([O-])cccc1F ZINC000886543771 647040933 /nfs/dbraw/zinc/04/09/33/647040933.db2.gz VDYYDDXNYHOUHJ-NSHDSACASA-N 0 0 269.360 2.981 20 10 CFCDRN CCn1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886546903 647041753 /nfs/dbraw/zinc/04/17/53/647041753.db2.gz AFGAZZWRAKBQGK-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886550332 647043716 /nfs/dbraw/zinc/04/37/16/647043716.db2.gz XOYIVWZUXALGIL-GHMZBOCLSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1c([O-])cccc1F ZINC000886552982 647044379 /nfs/dbraw/zinc/04/43/79/647044379.db2.gz ADYKQSDEPPKWMC-QWRGUYRKSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886617640 647070903 /nfs/dbraw/zinc/07/09/03/647070903.db2.gz UVESKKPDHHKNIN-CABZTGNLSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H](NCc1nn(C)cc1Cl)c1c(O)cccc1F ZINC000886618937 647071808 /nfs/dbraw/zinc/07/18/08/647071808.db2.gz OZEFSDWPARRGSX-QMMMGPOBSA-N 0 0 283.734 2.769 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886620963 647072587 /nfs/dbraw/zinc/07/25/87/647072587.db2.gz XPRDBAVWPMDSMK-YHAQOWFVSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c([O-])cccc1F ZINC000886623393 647073262 /nfs/dbraw/zinc/07/32/62/647073262.db2.gz CNVRWLCNYPWVMN-MXWKQRLJSA-N 0 0 253.317 2.749 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886623487 647073569 /nfs/dbraw/zinc/07/35/69/647073569.db2.gz FIPMMEXYNFILFJ-MXWKQRLJSA-N 0 0 253.317 2.749 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886625451 647074159 /nfs/dbraw/zinc/07/41/59/647074159.db2.gz RMLBWKNWZCPLGF-WDEREUQCSA-N 0 0 255.333 2.855 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1c([O-])cccc1F ZINC000886636351 647080806 /nfs/dbraw/zinc/08/08/06/647080806.db2.gz MCKCGIIHUKHASI-LCCANLFKSA-N 0 0 299.411 2.872 20 10 CFCDRN COc1ccnc(CN[C@@H](C)c2c(O)cccc2F)c1F ZINC000886637767 647081435 /nfs/dbraw/zinc/08/14/35/647081435.db2.gz DZKUSLFEWXJRBM-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN C[C@@H](Nc1cnn(CCF)c1)c1c(O)cccc1F ZINC000886642063 647084170 /nfs/dbraw/zinc/08/41/70/647084170.db2.gz ZIMVXSMXZZRIRI-SECBINFHSA-N 0 0 267.279 2.870 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886644459 647084555 /nfs/dbraw/zinc/08/45/55/647084555.db2.gz DCQGWKBCLZDGEQ-QWRGUYRKSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1c([O-])cccc1F ZINC000886643471 647084624 /nfs/dbraw/zinc/08/46/24/647084624.db2.gz WCWISENODGJHFI-QSJCVTFJSA-N 0 0 267.344 2.994 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886650034 647088295 /nfs/dbraw/zinc/08/82/95/647088295.db2.gz NWBGHBICPLKBCY-GMTAPVOTSA-N 0 0 255.333 2.731 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886649583 647088726 /nfs/dbraw/zinc/08/87/26/647088726.db2.gz DQDXFVKKFZHYMV-GMTAPVOTSA-N 0 0 253.317 2.607 20 10 CFCDRN Cc1ccc(O)c([C@@H](C)N[C@H](CCO)C(F)(F)F)c1 ZINC000886801543 647144046 /nfs/dbraw/zinc/14/40/46/647144046.db2.gz OROVNNCIRLWDAE-BXKDBHETSA-N 0 0 277.286 2.665 20 10 CFCDRN CCN1C(=O)/C(=C\c2cc(C)co2)SC1=S ZINC000887273821 647258152 /nfs/dbraw/zinc/25/81/52/647258152.db2.gz BWSJBIICGAAWAG-WEVVVXLNSA-N 0 0 253.348 2.809 20 10 CFCDRN CCn1cc(CN2CCCCc3cc(OC)ccc32)nn1 ZINC000887546528 647354167 /nfs/dbraw/zinc/35/41/67/647354167.db2.gz UXVLWMNCHJRMPI-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCC(F)(F)C(F)F)c1 ZINC000223738732 647388889 /nfs/dbraw/zinc/38/88/89/647388889.db2.gz XJOUHUDEURXKNG-SSDOTTSWSA-N 0 0 281.249 2.952 20 10 CFCDRN CCn1nc(C)c([C@H](C)NCc2ccc(N(C)C)cc2)n1 ZINC000924575212 647998579 /nfs/dbraw/zinc/99/85/79/647998579.db2.gz SMSYXPQOMYPKTQ-LBPRGKRZSA-N 0 0 287.411 2.523 20 10 CFCDRN CCn1nc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2)n1 ZINC000924575211 647998673 /nfs/dbraw/zinc/99/86/73/647998673.db2.gz SMSYXPQOMYPKTQ-GFCCVEGCSA-N 0 0 287.411 2.523 20 10 CFCDRN Cc1cnc(CNC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000926769565 648608633 /nfs/dbraw/zinc/60/86/33/648608633.db2.gz KPSDWQSUQYUMFX-UHFFFAOYSA-N 0 0 297.358 2.629 20 10 CFCDRN Cc1cc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nn1C ZINC000926912578 648655073 /nfs/dbraw/zinc/65/50/73/648655073.db2.gz XMYCPMDOMPOTGS-SNVBAGLBSA-N 0 0 295.333 2.606 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(F)cc1[O-] ZINC000926934790 648663430 /nfs/dbraw/zinc/66/34/30/648663430.db2.gz AXIKKXRQWNGCMU-FMSGJZPZSA-N 0 0 277.339 2.773 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927107447 648714036 /nfs/dbraw/zinc/71/40/36/648714036.db2.gz FLCUOYKNGQWYDA-SNVBAGLBSA-N 0 0 289.354 2.993 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927444903 648780313 /nfs/dbraw/zinc/78/03/13/648780313.db2.gz ZOSWIPXHHGJHGQ-IGJNKPTASA-N 0 0 287.359 2.808 20 10 CFCDRN COC1CCC(CC(=O)NCc2c(O)cccc2F)CC1 ZINC000928705172 648943903 /nfs/dbraw/zinc/94/39/03/648943903.db2.gz GRUGIAISCOQWIL-UHFFFAOYSA-N 0 0 295.354 2.743 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928705906 648944539 /nfs/dbraw/zinc/94/45/39/648944539.db2.gz MLWYJPQTXGKOAL-QWRGUYRKSA-N 0 0 265.328 2.974 20 10 CFCDRN COCCC1(C(=O)NCc2c(O)cccc2F)CCCC1 ZINC000928705801 648944552 /nfs/dbraw/zinc/94/45/52/648944552.db2.gz MZSQBJHDPBOWHQ-UHFFFAOYSA-N 0 0 295.354 2.744 20 10 CFCDRN CC(C)(C)/C=C/C(=O)NCc1c(O)cccc1F ZINC000928706579 648944667 /nfs/dbraw/zinc/94/46/67/648944667.db2.gz XPZXCBFYSARRTE-BQYQJAHWSA-N 0 0 251.301 2.750 20 10 CFCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1c(O)cccc1F ZINC000928706097 648944782 /nfs/dbraw/zinc/94/47/82/648944782.db2.gz QCLCDVGXTJJCSX-GFCCVEGCSA-N 0 0 297.370 2.989 20 10 CFCDRN CCCC[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928707155 648945559 /nfs/dbraw/zinc/94/55/59/648945559.db2.gz BHRVDKPAMAZAPQ-JTQLQIEISA-N 0 0 253.317 2.974 20 10 CFCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1c(O)cccc1F ZINC000928708271 648945628 /nfs/dbraw/zinc/94/56/28/648945628.db2.gz JLKNUGROWLBNJY-VXGBXAGGSA-N 0 0 297.370 2.725 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@]12C[C@H]1CCCC2 ZINC000928710979 648946583 /nfs/dbraw/zinc/94/65/83/648946583.db2.gz YVBQXILAXMQWDS-MEBBXXQBSA-N 0 0 263.312 2.728 20 10 CFCDRN CCS[C@@H](C(=O)NCc1c(O)cccc1F)C(C)C ZINC000928711823 648946788 /nfs/dbraw/zinc/94/67/88/648946788.db2.gz LLOFYQNJEWHDFO-CYBMUJFWSA-N 0 0 285.384 2.925 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1 ZINC000929531003 649067298 /nfs/dbraw/zinc/06/72/98/649067298.db2.gz FYXMPKMBNRIKDV-RHSMWYFYSA-N 0 0 272.392 2.901 20 10 CFCDRN COc1ccc(N(C)Cc2nn(C)cc2C)cc1F ZINC000929824126 649130907 /nfs/dbraw/zinc/13/09/07/649130907.db2.gz CZFGYLUAGGLAQW-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CCOC2)cc1Cl ZINC000929827555 649132583 /nfs/dbraw/zinc/13/25/83/649132583.db2.gz DCCILNMPVYOGPS-GFCCVEGCSA-N 0 0 285.771 2.590 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CCOC2)cc1Cl ZINC000929827557 649132856 /nfs/dbraw/zinc/13/28/56/649132856.db2.gz DCCILNMPVYOGPS-LBPRGKRZSA-N 0 0 285.771 2.590 20 10 CFCDRN Cc1nnsc1[C@@H](C)N(C)Cc1ccccc1O ZINC000929976832 649159561 /nfs/dbraw/zinc/15/95/61/649159561.db2.gz QMJOMJVBYNUSTF-SNVBAGLBSA-N 0 0 263.366 2.745 20 10 CFCDRN CCc1onc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000930093930 649183078 /nfs/dbraw/zinc/18/30/78/649183078.db2.gz OUQHLKYLWIMBKA-UHFFFAOYSA-N 0 0 274.320 2.911 20 10 CFCDRN O=C(Nc1cnc(C2CC2)nc1)N1Cc2cccc(O)c2C1 ZINC000930202687 649206123 /nfs/dbraw/zinc/20/61/23/649206123.db2.gz NXKCGIYJACXNBB-UHFFFAOYSA-N 0 0 296.330 2.607 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1cnc(C)o1)CCC2 ZINC000930722221 649314614 /nfs/dbraw/zinc/31/46/14/649314614.db2.gz NHBWTRMVUKTKLQ-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN COc1ccc(N(C)Cc2nc(COC(C)C)no2)cc1 ZINC000930841622 649334375 /nfs/dbraw/zinc/33/43/75/649334375.db2.gz MUEVREJNYPCHKY-UHFFFAOYSA-N 0 0 291.351 2.640 20 10 CFCDRN Cn1cc(NC(=O)N2Cc3cccc(O)c3C2)c(C2CC2)n1 ZINC000931508806 649443898 /nfs/dbraw/zinc/44/38/98/649443898.db2.gz HJTYBDQGDVYNDH-UHFFFAOYSA-N 0 0 298.346 2.551 20 10 CFCDRN CC1=C(C(=O)N(C)Cc2ccccc2O)CCN1C(C)C ZINC000934704892 649818164 /nfs/dbraw/zinc/81/81/64/649818164.db2.gz JUMIWESYTAYWMC-UHFFFAOYSA-N 0 0 288.391 2.739 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000098121027 651070176 /nfs/dbraw/zinc/07/01/76/651070176.db2.gz KLOYTMWOXSRUSU-QWHCGFSZSA-N 0 0 277.412 2.986 20 10 CFCDRN Oc1cccc(Cl)c1CNCc1cn2ccccc2n1 ZINC000113314556 651191200 /nfs/dbraw/zinc/19/12/00/651191200.db2.gz LHKJWWFVEOIPEZ-UHFFFAOYSA-N 0 0 287.750 2.983 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCCC1 ZINC000115281604 651257989 /nfs/dbraw/zinc/25/79/89/651257989.db2.gz SLRAUJPFMSWSGY-UHFFFAOYSA-N 0 0 260.381 2.867 20 10 CFCDRN CC(F)(F)CNCc1c(O)cccc1Br ZINC000706825189 781204538 /nfs/dbraw/zinc/20/45/38/781204538.db2.gz QFXKOQZLSBOYBE-UHFFFAOYSA-N 0 0 280.112 2.900 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC(C2CCC2)CC1 ZINC000692985896 770018066 /nfs/dbraw/zinc/01/80/66/770018066.db2.gz LDGBJECPQQPLBV-UHFFFAOYSA-N 0 0 275.348 2.750 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000177674924 770328232 /nfs/dbraw/zinc/32/82/32/770328232.db2.gz OXHWWDQSQGBESH-JKSUJKDBSA-N 0 0 272.392 2.757 20 10 CFCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)CCCC1=O ZINC001140337841 770526008 /nfs/dbraw/zinc/52/60/08/770526008.db2.gz IZKOGNVBCZTHAR-JTQLQIEISA-N 0 0 267.756 2.847 20 10 CFCDRN Cc1ccccc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406030 770536970 /nfs/dbraw/zinc/53/69/70/770536970.db2.gz KVCUFGYVRPGMRN-CLFYSBASSA-N 0 0 297.354 2.778 20 10 CFCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140582793 770958945 /nfs/dbraw/zinc/95/89/45/770958945.db2.gz MZIWWOAGPINMRZ-ZUZCIYMTSA-N 0 0 283.318 2.671 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813337 775113582 /nfs/dbraw/zinc/11/35/82/775113582.db2.gz ALVOYZHHOJTGAO-MFKMUULPSA-N 0 0 267.756 2.656 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293895898 775730699 /nfs/dbraw/zinc/73/06/99/775730699.db2.gz DZGHURLWNHOLKT-NSHDSACASA-N 0 0 269.772 2.640 20 10 CFCDRN COc1cc(NCc2c(C)c3ccccc3n2C)[nH]n1 ZINC001203143643 775770814 /nfs/dbraw/zinc/77/08/14/775770814.db2.gz AGHGEKQIICNCEG-UHFFFAOYSA-N 0 0 270.336 2.831 20 10 CFCDRN CCCCC[C@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464285 775833186 /nfs/dbraw/zinc/83/31/86/775833186.db2.gz GLHNZSGLTIRZQT-ZETCQYMHSA-N 0 0 272.297 2.562 20 10 CFCDRN CCC(CC)[C@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465310 775834870 /nfs/dbraw/zinc/83/48/70/775834870.db2.gz SOAICYJYXAALJP-QMMMGPOBSA-N 0 0 286.324 2.808 20 10 CFCDRN C[C@H]1C[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)CC(C)(C)C1 ZINC001226466017 775835069 /nfs/dbraw/zinc/83/50/69/775835069.db2.gz ZFRODSBHONTCGF-JGVFFNPUSA-N 0 0 298.335 2.808 20 10 CFCDRN Cc1cccnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000692582807 775898204 /nfs/dbraw/zinc/89/82/04/775898204.db2.gz CCLHSLQOYAFEAP-UHFFFAOYSA-N 0 0 275.329 2.776 20 10 CFCDRN C[C@@H](CON)OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227493467 776214850 /nfs/dbraw/zinc/21/48/50/776214850.db2.gz ZLNGCGXVORTMDM-ZRQYBVSLSA-N 0 0 288.307 2.860 20 10 CFCDRN Cc1c([C@H](C)Oc2ccc(N(C)C)cc2)cnn1C ZINC001227940989 776335901 /nfs/dbraw/zinc/33/59/01/776335901.db2.gz QCXYHNQWDIKXRK-LBPRGKRZSA-N 0 0 259.353 2.935 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231446225 777220982 /nfs/dbraw/zinc/22/09/82/777220982.db2.gz FTIBYQCZRIXYDC-UHFFFAOYSA-N 0 0 289.306 2.862 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C[C@@H]1C ZINC001231446405 777221298 /nfs/dbraw/zinc/22/12/98/777221298.db2.gz IPFOIKIKIJRSNP-NEPJUHHUSA-N 0 0 277.364 2.958 20 10 CFCDRN CC[N@H+](Cc1ccccn1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455471 777223921 /nfs/dbraw/zinc/22/39/21/777223921.db2.gz PDIRFDJMSKQJGP-UHFFFAOYSA-N 0 0 286.331 2.508 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC001231561309 777259821 /nfs/dbraw/zinc/25/98/21/777259821.db2.gz RXDQYCXOYHODOY-CHWSQXEVSA-N 0 0 275.348 2.712 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001231561680 777260524 /nfs/dbraw/zinc/26/05/24/777260524.db2.gz YHIOKRPVXDRWIN-YPMHNXCESA-N 0 0 275.348 2.712 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCc3ccccc3CC2)c1 ZINC001231564424 777261270 /nfs/dbraw/zinc/26/12/70/777261270.db2.gz QDQIZGYQKADDHZ-UHFFFAOYSA-N 0 0 297.354 2.691 20 10 CFCDRN C[N@H+](CCc1cccs1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565527 777261485 /nfs/dbraw/zinc/26/14/85/777261485.db2.gz ZWIMLOONEJIWLU-UHFFFAOYSA-N 0 0 291.372 2.826 20 10 CFCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590362 777271310 /nfs/dbraw/zinc/27/13/10/777271310.db2.gz VUPYEMLEWHONPR-TZMCWYRMSA-N 0 0 271.360 2.891 20 10 CFCDRN CN1CC2(C1)CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231590503 777272087 /nfs/dbraw/zinc/27/20/87/777272087.db2.gz FDWINJIPBHKDDE-UHFFFAOYSA-N 0 0 282.387 2.683 20 10 CFCDRN COc1cc(C[N@H+](C)Cc2ccccc2F)c(O)cc1O ZINC001231636081 777287603 /nfs/dbraw/zinc/28/76/03/777287603.db2.gz QGHJKDUMKRFMEB-UHFFFAOYSA-N 0 0 291.322 2.878 20 10 CFCDRN Cc1cc(C)c(CN2CCC[C@H](F)C(=O)C2)c(O)c1 ZINC001231843274 777347160 /nfs/dbraw/zinc/34/71/60/777347160.db2.gz UJGGBPKQQAFPGM-ZDUSSCGKSA-N 0 0 265.328 2.512 20 10 CFCDRN Cc1ncc2n1CCN(Cc1c(C)cc(C)cc1O)C2 ZINC001231844539 777347532 /nfs/dbraw/zinc/34/75/32/777347532.db2.gz MFDZOCNOZNJDQL-UHFFFAOYSA-N 0 0 271.364 2.530 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCO[C@@H](C(C)C)C1 ZINC001231855055 777352125 /nfs/dbraw/zinc/35/21/25/777352125.db2.gz PYNUFOOXKFFZIY-QGZVFWFLSA-N 0 0 292.423 2.618 20 10 CFCDRN Cc1cc(O)c(CN2CCCC(=O)CC2)cc1Cl ZINC001231867958 777357607 /nfs/dbraw/zinc/35/76/07/777357607.db2.gz OLXCRBRQNXZJFN-UHFFFAOYSA-N 0 0 267.756 2.909 20 10 CFCDRN CO[C@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H]1F ZINC001231869268 777358770 /nfs/dbraw/zinc/35/87/70/777358770.db2.gz OGZPBHDCKDWEGK-AAEUAGOBSA-N 0 0 273.735 2.523 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2(CSC2)C1 ZINC001231914887 777382483 /nfs/dbraw/zinc/38/24/83/777382483.db2.gz UYZJDNXUCWFJDT-UHFFFAOYSA-N 0 0 255.770 2.594 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001231910879 777380745 /nfs/dbraw/zinc/38/07/45/777380745.db2.gz VEOZLZKYJMBCGB-UHFFFAOYSA-N 0 0 267.756 2.658 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001231909780 777380986 /nfs/dbraw/zinc/38/09/86/777380986.db2.gz PHAULHVFZODBCJ-CQSZACIVSA-N 0 0 287.762 2.732 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC001231912725 777381670 /nfs/dbraw/zinc/38/16/70/777381670.db2.gz UTXRCTCYPMRWPH-BXUZGUMPSA-N 0 0 280.799 2.572 20 10 CFCDRN CC[N@H+](C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231913501 777382655 /nfs/dbraw/zinc/38/26/55/777382655.db2.gz KQFCAAWMUQSKQJ-UHFFFAOYSA-N 0 0 282.815 2.962 20 10 CFCDRN CCC(CO)(CO)Nc1ccc(-n2c(C)ccc2C)cc1 ZINC001167970285 777434327 /nfs/dbraw/zinc/43/43/27/777434327.db2.gz LQVKTWRZSFFWIT-UHFFFAOYSA-N 0 0 288.391 2.639 20 10 CFCDRN C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232258671 777496697 /nfs/dbraw/zinc/49/66/97/777496697.db2.gz CKVSPPCJJHOIEW-HNNXBMFYSA-N 0 0 299.798 2.736 20 10 CFCDRN COc1cc(O)c(CN2CC[C@@H](F)C2)cc1Cl ZINC001232264303 777497917 /nfs/dbraw/zinc/49/79/17/777497917.db2.gz HOAZDRYLROWBPY-SECBINFHSA-N 0 0 259.708 2.598 20 10 CFCDRN CCCOC1CN(Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232264883 777498134 /nfs/dbraw/zinc/49/81/34/777498134.db2.gz NWRWQTKYLYZTQS-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)cc1Cl ZINC001232266404 777499397 /nfs/dbraw/zinc/49/93/97/777499397.db2.gz NQJSZSCQCHLMEN-GWCFXTLKSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC001232266746 777500256 /nfs/dbraw/zinc/50/02/56/777500256.db2.gz XTXZFVXEUCXALH-NXEZZACHSA-N 0 0 285.771 2.663 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1CCC1 ZINC001232268735 777501212 /nfs/dbraw/zinc/50/12/12/777501212.db2.gz QPACKUCAAPYBCV-UHFFFAOYSA-N 0 0 255.745 2.983 20 10 CFCDRN Oc1cc(O)c(CCNc2ccc3c(c2)CCC3)cc1O ZINC001168005288 777576224 /nfs/dbraw/zinc/57/62/24/777576224.db2.gz DOMZZICEWAHLJU-UHFFFAOYSA-N 0 0 285.343 2.947 20 10 CFCDRN Cc1cc2ccnc(NCCc3cc(O)c(O)cc3O)c2[nH]1 ZINC001168005561 777576350 /nfs/dbraw/zinc/57/63/50/777576350.db2.gz FABVNQFZHIUWJG-UHFFFAOYSA-N 0 0 299.330 2.643 20 10 CFCDRN COc1c(C)cccc1NCCc1cc(O)c(O)cc1O ZINC001168014677 777643678 /nfs/dbraw/zinc/64/36/78/777643678.db2.gz YSNRZWBGWMDDAW-UHFFFAOYSA-N 0 0 289.331 2.775 20 10 CFCDRN Oc1cc(CN2CCCC[C@H]2C(F)(F)F)cc(O)c1O ZINC001233012064 777764823 /nfs/dbraw/zinc/76/48/23/777764823.db2.gz IPEOPIRHOZFJQO-NSHDSACASA-N 0 0 291.269 2.720 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H](F)CC2)ccc(F)c1F ZINC001233074241 777787857 /nfs/dbraw/zinc/78/78/57/777787857.db2.gz LTCZYMJKOPHQAR-JTQLQIEISA-N 0 0 259.271 2.994 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc(F)c1F ZINC001233074368 777787883 /nfs/dbraw/zinc/78/78/83/777787883.db2.gz OKOXZWLFZJDPEV-ZWNOBZJWSA-N 0 0 283.318 2.671 20 10 CFCDRN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233077993 777788816 /nfs/dbraw/zinc/78/88/16/777788816.db2.gz ZZEIZDVCLKGTDZ-SCDSUCTJSA-N 0 0 297.345 2.917 20 10 CFCDRN [O-]c1c(C[NH+]2CC(c3cccnc3)C2)ccc(F)c1F ZINC001233078170 777789400 /nfs/dbraw/zinc/78/94/00/777789400.db2.gz JQRZEHVGFQVUFG-UHFFFAOYSA-N 0 0 276.286 2.665 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCCO3)ccc(F)c1F ZINC001233076877 777789926 /nfs/dbraw/zinc/78/99/26/777789926.db2.gz WSCLKNHKXSUSKZ-HNNXBMFYSA-N 0 0 283.318 2.815 20 10 CFCDRN COC(=O)[C@@H]1CCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284575 777866123 /nfs/dbraw/zinc/86/61/23/777866123.db2.gz ZROZOJAGJSCGBU-AWEZNQCLSA-N 0 0 291.391 2.827 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC[C@H]2C(C)=O)c1O ZINC001233291351 777868723 /nfs/dbraw/zinc/86/87/23/777868723.db2.gz XFRXBRNNPHZDGT-LBPRGKRZSA-N 0 0 283.755 2.608 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001233287898 777869063 /nfs/dbraw/zinc/86/90/63/777869063.db2.gz MFGYTKNWJGBSIR-BMIGLBTASA-N 0 0 299.798 2.647 20 10 CFCDRN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335036 777893505 /nfs/dbraw/zinc/89/35/05/777893505.db2.gz FHUUYZGUZKEUBK-AOOOYVTPSA-N 0 0 253.292 2.758 20 10 CFCDRN Cc1nc2c(s1)CN(Cc1c(O)ccc(F)c1F)CC2 ZINC001233334778 777893600 /nfs/dbraw/zinc/89/36/00/777893600.db2.gz SSJTVJWDSXENEF-UHFFFAOYSA-N 0 0 296.342 2.994 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001233334707 777895027 /nfs/dbraw/zinc/89/50/27/777895027.db2.gz QNCIRPFDKWZSAO-VIFPVBQESA-N 0 0 259.271 2.852 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001233335869 777895585 /nfs/dbraw/zinc/89/55/85/777895585.db2.gz PFJUGJHOIPLKNS-MRVPVSSYSA-N 0 0 289.322 2.700 20 10 CFCDRN Cc1cnc2c(c1)CN(Cc1c(O)ccc(F)c1F)CC2 ZINC001233336421 777897770 /nfs/dbraw/zinc/89/77/70/777897770.db2.gz KZHFPYWZDRUFTR-UHFFFAOYSA-N 0 0 290.313 2.932 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(CO)CC2)cccc1C(F)(F)F ZINC001233416348 777942890 /nfs/dbraw/zinc/94/28/90/777942890.db2.gz FKZWMTRYFIMANO-UHFFFAOYSA-N 0 0 289.297 2.615 20 10 CFCDRN O=C1CCN(Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233416126 777943041 /nfs/dbraw/zinc/94/30/41/777943041.db2.gz WWUKGNDWFQVKAM-UHFFFAOYSA-N 0 0 273.254 2.576 20 10 CFCDRN CN1CC[C@H]([N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418786 777943230 /nfs/dbraw/zinc/94/32/30/777943230.db2.gz WMYVCDLANXUSOG-NSHDSACASA-N 0 0 288.313 2.547 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC3(COC3)C2)cccc1C(F)(F)F ZINC001233416834 777943464 /nfs/dbraw/zinc/94/34/64/777943464.db2.gz YELNKUBGPBSBED-UHFFFAOYSA-N 0 0 287.281 2.633 20 10 CFCDRN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233416415 777944196 /nfs/dbraw/zinc/94/41/96/777944196.db2.gz HIBGUMSCENUDIK-SECBINFHSA-N 0 0 275.270 2.632 20 10 CFCDRN CC(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1O ZINC001233419728 777946088 /nfs/dbraw/zinc/94/60/88/777946088.db2.gz KFWWPSKEJPPXPO-LBPRGKRZSA-N 0 0 287.281 2.964 20 10 CFCDRN Oc1c(CN2CCOC3(CC3)C2)cccc1C(F)(F)F ZINC001233419255 777946259 /nfs/dbraw/zinc/94/62/59/777946259.db2.gz PWPAVIDSLMGKRG-UHFFFAOYSA-N 0 0 287.281 2.776 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCOC[C@H]1F ZINC001233495356 777969149 /nfs/dbraw/zinc/96/91/49/777969149.db2.gz FICCWSMBVLTQIW-QMTHXVAHSA-N 0 0 298.310 2.586 20 10 CFCDRN CCN1CCc2cc(O[C@H]3C[C@@](C)(C(=O)OC)C3)ccc21 ZINC001233601458 778008646 /nfs/dbraw/zinc/00/86/46/778008646.db2.gz JVTYNSPHUDIRAU-KDYLLFBJSA-N 0 0 289.375 2.790 20 10 CFCDRN C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C1CCC1 ZINC001233949381 778120163 /nfs/dbraw/zinc/12/01/63/778120163.db2.gz FWKHZBBCNDPRJU-QMMMGPOBSA-N 0 0 260.293 2.608 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1OCCOC1CCCC1 ZINC001234477043 778234439 /nfs/dbraw/zinc/23/44/39/778234439.db2.gz QRKMWJQKQQQASS-UHFFFAOYSA-N 0 0 280.320 2.638 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@H+](CCO)Cc1cccs1 ZINC001142520686 778399189 /nfs/dbraw/zinc/39/91/89/778399189.db2.gz NTJAADONNQUIGI-UHFFFAOYSA-N 0 0 299.342 2.726 20 10 CFCDRN Oc1cc(F)c(F)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001142534415 778403858 /nfs/dbraw/zinc/40/38/58/778403858.db2.gz IONDTXUBUGIQBY-CYBMUJFWSA-N 0 0 291.301 2.798 20 10 CFCDRN C[C@@H]1CC[N@@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235298776 778448446 /nfs/dbraw/zinc/44/84/46/778448446.db2.gz TXQNDDXLWHRLDV-SSDOTTSWSA-N 0 0 274.133 2.888 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC001235474912 778502209 /nfs/dbraw/zinc/50/22/09/778502209.db2.gz JEIKUDOYLHOWCV-ZDUSSCGKSA-N 0 0 286.778 2.615 20 10 CFCDRN CC(C)(C)c1ccc(CN2CC(N3CC(F)C3)C2)c(O)c1 ZINC001235676925 778534555 /nfs/dbraw/zinc/53/45/55/778534555.db2.gz XKDTWEUSLKPYGN-UHFFFAOYSA-N 0 0 292.398 2.528 20 10 CFCDRN Oc1cccc(F)c1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235858670 778583371 /nfs/dbraw/zinc/58/33/71/778583371.db2.gz IJNJYSOFALTQSE-INIZCTEOSA-N 0 0 286.350 2.678 20 10 CFCDRN [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001235981518 778638677 /nfs/dbraw/zinc/63/86/77/778638677.db2.gz WOFBMOATJJGPGP-NOZJJQNGSA-N 0 0 287.190 2.622 20 10 CFCDRN CCC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC001236178716 778726761 /nfs/dbraw/zinc/72/67/61/778726761.db2.gz KDVKZSDGVFNKMB-LBPRGKRZSA-N 0 0 286.778 2.759 20 10 CFCDRN Cc1cccc(CN2CCO[C@H](CC(F)(F)F)C2)c1O ZINC000698222256 778767744 /nfs/dbraw/zinc/76/77/44/778767744.db2.gz SBEQAHXEBVLDFG-GFCCVEGCSA-N 0 0 289.297 2.854 20 10 CFCDRN Cc1nc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)o1 ZINC001236595909 778890194 /nfs/dbraw/zinc/89/01/94/778890194.db2.gz ZQHOXTHDSAULRJ-UHFFFAOYSA-N 0 0 258.321 2.555 20 10 CFCDRN CC[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001120584615 778929664 /nfs/dbraw/zinc/92/96/64/778929664.db2.gz OVQXXZRMFGXINX-CQSZACIVSA-N 0 0 261.369 2.743 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC001236791555 778936554 /nfs/dbraw/zinc/93/65/54/778936554.db2.gz IQHMDMKFJZHZJZ-SFHVURJKSA-N 0 0 298.386 2.923 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236791743 778937326 /nfs/dbraw/zinc/93/73/26/778937326.db2.gz JNRDULUBGWYTQP-QGZVFWFLSA-N 0 0 289.375 2.626 20 10 CFCDRN CCc1ccc(CN2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001236792292 778938437 /nfs/dbraw/zinc/93/84/37/778938437.db2.gz NULXDPWPRJSZFB-KRWDZBQOSA-N 0 0 298.386 2.923 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001236792825 778939365 /nfs/dbraw/zinc/93/93/65/778939365.db2.gz RUIIFCPSLBYQKD-GOEBONIOSA-N 0 0 261.365 2.565 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1(C)COC1 ZINC001236798053 778941207 /nfs/dbraw/zinc/94/12/07/778941207.db2.gz FWFYETNYCUPZIC-UHFFFAOYSA-N 0 0 276.163 2.920 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1Cl ZINC001236800534 778942704 /nfs/dbraw/zinc/94/27/04/778942704.db2.gz ACRFVUNOVSSWEO-NSHDSACASA-N 0 0 299.798 2.649 20 10 CFCDRN COc1cc(O)c(CN2CC(F)(C3CC3)C2)c(Cl)c1 ZINC001236798421 778943217 /nfs/dbraw/zinc/94/32/17/778943217.db2.gz ODVLHCNHXSGQJQ-UHFFFAOYSA-N 0 0 285.746 2.988 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1Cl ZINC001236801486 778944870 /nfs/dbraw/zinc/94/48/70/778944870.db2.gz JXEAJPVWJLPAGS-MEBBXXQBSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001236810844 778948694 /nfs/dbraw/zinc/94/86/94/778948694.db2.gz KDBFMQODUPUAJT-CQSZACIVSA-N 0 0 283.318 2.940 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001236827926 778956079 /nfs/dbraw/zinc/95/60/79/778956079.db2.gz WVOVZQADPFHFDL-SJKOYZFVSA-N 0 0 271.360 2.748 20 10 CFCDRN Oc1cc2ccccc2cc1CN1CC2(C1)CCCO2 ZINC001236827175 778957106 /nfs/dbraw/zinc/95/71/06/778957106.db2.gz QQBBBXJIUHVPGL-UHFFFAOYSA-N 0 0 269.344 2.910 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]1OC ZINC001120707877 778960423 /nfs/dbraw/zinc/96/04/23/778960423.db2.gz PGLSUAFTHDFHJD-GOEBONIOSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]1OC ZINC001120707878 778960506 /nfs/dbraw/zinc/96/05/06/778960506.db2.gz PGLSUAFTHDFHJD-HOCLYGCPSA-N 0 0 291.391 2.946 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(O)c1 ZINC001237045223 778997035 /nfs/dbraw/zinc/99/70/35/778997035.db2.gz ZCJOGYWQAPVEKX-CYBMUJFWSA-N 0 0 277.364 2.592 20 10 CFCDRN CC(C)c1ccc(CN2CC[C@](O)(CF)[C@@H](F)C2)c(O)c1 ZINC001237044918 778997716 /nfs/dbraw/zinc/99/77/16/778997716.db2.gz FSTBXOFPBTWWPO-HOTGVXAUSA-N 0 0 299.361 2.760 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001237048905 778998562 /nfs/dbraw/zinc/99/85/62/778998562.db2.gz ZQCIBBQGQHZBGA-OAHLLOKOSA-N 0 0 263.381 2.862 20 10 CFCDRN CCOc1ccc(CN2CC3(C2)CCCCO3)c(O)c1 ZINC001237049803 778999765 /nfs/dbraw/zinc/99/97/65/778999765.db2.gz JYEWPACYLDRDFW-UHFFFAOYSA-N 0 0 277.364 2.546 20 10 CFCDRN OC[C@@H]1C[C@@H](F)CN1Cc1c(O)ccc(Cl)c1Cl ZINC001237077414 779007369 /nfs/dbraw/zinc/00/73/69/779007369.db2.gz HMKNZVFHYLCKGV-SFYZADRCSA-N 0 0 294.153 2.604 20 10 CFCDRN O=C1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1F ZINC001237085235 779008597 /nfs/dbraw/zinc/00/85/97/779008597.db2.gz VUCIHJKKVWFYEF-SECBINFHSA-N 0 0 292.137 2.812 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237116583 779015857 /nfs/dbraw/zinc/01/58/57/779015857.db2.gz KOGRAZDNPZZOSK-DTORHVGOSA-N 0 0 297.223 2.783 20 10 CFCDRN C[N@H+](CCc1cccnc1)Cc1ccc(F)c(F)c1[O-] ZINC001233076947 779018172 /nfs/dbraw/zinc/01/81/72/779018172.db2.gz AFKKCCMEKHYYSE-UHFFFAOYSA-N 0 0 278.302 2.740 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698929145 779103893 /nfs/dbraw/zinc/10/38/93/779103893.db2.gz PAFYMRWDOPWBNC-YMTOWFKASA-N 0 0 289.297 2.776 20 10 CFCDRN CN(Cc1cc2ccccn2n1)Cc1ccccc1O ZINC001237450569 779110333 /nfs/dbraw/zinc/11/03/33/779110333.db2.gz UNVOOFLLUYJKDX-UHFFFAOYSA-N 0 0 267.332 2.672 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001237484350 779117701 /nfs/dbraw/zinc/11/77/01/779117701.db2.gz CSDZPDVMQVEVGV-INIZCTEOSA-N 0 0 263.381 2.684 20 10 CFCDRN Cc1cccc(O)c1CN(Cc1cocn1)Cc1cocn1 ZINC001237491889 779120167 /nfs/dbraw/zinc/12/01/67/779120167.db2.gz MVJDYDJJLROONV-UHFFFAOYSA-N 0 0 299.330 2.879 20 10 CFCDRN COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237618746 779145658 /nfs/dbraw/zinc/14/56/58/779145658.db2.gz ILCCWFRZUFAVGU-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]12 ZINC001237624637 779146845 /nfs/dbraw/zinc/14/68/45/779146845.db2.gz XDIZCUKCXHZURR-BXKDBHETSA-N 0 0 297.757 2.986 20 10 CFCDRN CC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1O ZINC001237685938 779161331 /nfs/dbraw/zinc/16/13/31/779161331.db2.gz DKGVXDJVGUAKNC-ZDUSSCGKSA-N 0 0 267.756 2.907 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC(=O)C2)c1O ZINC001237687337 779161639 /nfs/dbraw/zinc/16/16/39/779161639.db2.gz XMVCQNAASNFCME-UHFFFAOYSA-N 0 0 253.729 2.519 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]12 ZINC001237800332 779181442 /nfs/dbraw/zinc/18/14/42/779181442.db2.gz JMQRQTGLBCPSST-JOYOIKCWSA-N 0 0 297.757 2.986 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001237800377 779181940 /nfs/dbraw/zinc/18/19/40/779181940.db2.gz YGPFYGHWMJELPE-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@H]1CO ZINC001237808965 779184800 /nfs/dbraw/zinc/18/48/00/779184800.db2.gz XGJKGBCCBFSBQI-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN C[N@H+](Cc1cc(F)c(Cl)cc1[O-])CC1(C)COC1 ZINC001237935160 779209456 /nfs/dbraw/zinc/20/94/56/779209456.db2.gz AJZVJBZSOYBFJP-UHFFFAOYSA-N 0 0 273.735 2.653 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC2(C1)CCCO2 ZINC001237935690 779210920 /nfs/dbraw/zinc/21/09/20/779210920.db2.gz XMXMSMNPKTWMEP-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN CC(=O)C1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237937721 779211163 /nfs/dbraw/zinc/21/11/63/779211163.db2.gz UGVYYRPOHAJLAZ-UHFFFAOYSA-N 0 0 285.746 2.986 20 10 CFCDRN CC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941605 779213409 /nfs/dbraw/zinc/21/34/09/779213409.db2.gz ZDZRDTYJBLRYLH-SECBINFHSA-N 0 0 271.719 2.596 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237950557 779214616 /nfs/dbraw/zinc/21/46/16/779214616.db2.gz WQIZKIPXXUQSEI-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN Cc1cc(F)cc(CN2CCc3ncccc3C2)c1O ZINC001238062355 779242150 /nfs/dbraw/zinc/24/21/50/779242150.db2.gz PCXBJHAECZFSLS-UHFFFAOYSA-N 0 0 272.323 2.793 20 10 CFCDRN CCN(Cc1ccccc1O)Cc1cc(OC)cnc1F ZINC001238124681 779259290 /nfs/dbraw/zinc/25/92/90/779259290.db2.gz ZSCKYHKEMVTDIV-UHFFFAOYSA-N 0 0 290.338 2.957 20 10 CFCDRN COc1ccc(CN(C)Cc2ccccc2O)c(F)c1O ZINC001238362539 779299739 /nfs/dbraw/zinc/29/97/39/779299739.db2.gz GTPJXIWXWMPODA-UHFFFAOYSA-N 0 0 291.322 2.878 20 10 CFCDRN CC(C)Oc1cnc(F)c(-c2ncnc3c2ccn3C)c1 ZINC001238876720 779411776 /nfs/dbraw/zinc/41/17/76/779411776.db2.gz POHYUIXJWAPGMQ-UHFFFAOYSA-N 0 0 286.310 2.957 20 10 CFCDRN CCN(Cc1cc(F)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236007673 779430216 /nfs/dbraw/zinc/43/02/16/779430216.db2.gz AHRURKQUZFGSEY-LBPRGKRZSA-N 0 0 286.778 2.759 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnn(Cc2ccncc2)c1 ZINC001239051468 779453088 /nfs/dbraw/zinc/45/30/88/779453088.db2.gz RVGCDDMUOCUYGA-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN O=C(c1cccnc1-c1cnoc1)N1CCc2ccccc21 ZINC001239172004 779465483 /nfs/dbraw/zinc/46/54/83/779465483.db2.gz OHWZRJBGKKDDJP-UHFFFAOYSA-N 0 0 291.310 2.940 20 10 CFCDRN COCCn1ccc(-c2cn(C)c3ccccc23)cc1=O ZINC001239541116 779618608 /nfs/dbraw/zinc/61/86/08/779618608.db2.gz DOCOWSDGPXCIJH-UHFFFAOYSA-N 0 0 282.343 2.653 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC(=O)[C@@H](C)C2)c1O ZINC001237680641 779705874 /nfs/dbraw/zinc/70/58/74/779705874.db2.gz FHBZRXNTBZACNV-JTQLQIEISA-N 0 0 267.756 2.765 20 10 CFCDRN CC(=O)Nc1ccccc1-c1ncnc2c1ccn2C ZINC001239776881 779765856 /nfs/dbraw/zinc/76/58/56/779765856.db2.gz HOABPTRNRRKMGY-UHFFFAOYSA-N 0 0 266.304 2.594 20 10 CFCDRN Cc1ccncc1-c1cc(=O)n(C)c2ccccc12 ZINC001239977231 779894260 /nfs/dbraw/zinc/89/42/60/779894260.db2.gz RFFLWLZDYDSLFB-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CCCn1cc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001240135709 779959534 /nfs/dbraw/zinc/95/95/34/779959534.db2.gz PQEVPUUNZMAKAD-UHFFFAOYSA-N 0 0 267.332 2.812 20 10 CFCDRN Cc1nn(C)c(C)c1-c1cc(=O)n(C)c2ccccc12 ZINC001240148117 779970063 /nfs/dbraw/zinc/97/00/63/779970063.db2.gz XRAZTWYYEQNDBG-UHFFFAOYSA-N 0 0 267.332 2.556 20 10 CFCDRN COc1cc(Cl)ccc1-c1noc(-c2csnn2)n1 ZINC001212362737 779995437 /nfs/dbraw/zinc/99/54/37/779995437.db2.gz YSHLLFCCRXYUTG-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN FC(F)(F)c1cncc(-c2noc(-c3csnn3)n2)c1 ZINC001212364570 779998844 /nfs/dbraw/zinc/99/88/44/779998844.db2.gz UFKVVHJZSHVTRA-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN FC(F)(F)c1ccnc(-c2noc(-c3csnn3)n2)c1 ZINC001212364552 779998896 /nfs/dbraw/zinc/99/88/96/779998896.db2.gz SVAACNSXBNFUIB-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN Oc1ccccc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001203555456 780029161 /nfs/dbraw/zinc/02/91/61/780029161.db2.gz AAKJNYDVGAPYGA-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN CCn1ccc(-c2cnn(CCC(C)C)c2)cc1=O ZINC001240421129 780153772 /nfs/dbraw/zinc/15/37/72/780153772.db2.gz UIMWDFGBIFZVNO-UHFFFAOYSA-N 0 0 259.353 2.778 20 10 CFCDRN Cc1nc(C(C)(C)NCc2ccc3c(c2)CCCO3)no1 ZINC000921696988 780175787 /nfs/dbraw/zinc/17/57/87/780175787.db2.gz FAJGOXGSXINUON-UHFFFAOYSA-N 0 0 287.363 2.728 20 10 CFCDRN Cc1n[nH]cc1-c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001240522249 780228954 /nfs/dbraw/zinc/22/89/54/780228954.db2.gz CZWIQXOLINOFHZ-UHFFFAOYSA-N 0 0 283.306 2.734 20 10 CFCDRN COc1cc(-c2ccc3ccc(=O)n(C)c3c2)cnc1OC ZINC001240623478 780301682 /nfs/dbraw/zinc/30/16/82/780301682.db2.gz HTZKPOSGHYGTBJ-UHFFFAOYSA-N 0 0 296.326 2.618 20 10 CFCDRN CC(C)Oc1ccc(-c2ccc3ncc(=O)n(C)c3c2)cn1 ZINC001240811438 780462209 /nfs/dbraw/zinc/46/22/09/780462209.db2.gz XLEJHKNEPJMHHB-UHFFFAOYSA-N 0 0 295.342 2.783 20 10 CFCDRN COc1cccc2ncc(-c3ccn(C)c(=O)c3)cc21 ZINC001240991119 780577809 /nfs/dbraw/zinc/57/78/09/780577809.db2.gz AVCCVIWWZUDVRU-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN CCSC1(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000700836828 780728865 /nfs/dbraw/zinc/72/88/65/780728865.db2.gz MQKKVVMDELZZCG-UHFFFAOYSA-N 0 0 265.382 2.676 20 10 CFCDRN COc1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241346234 780800429 /nfs/dbraw/zinc/80/04/29/780800429.db2.gz WKLMBKLBPHTCMP-UHFFFAOYSA-N 0 0 267.332 2.779 20 10 CFCDRN CN(C)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241351883 780804231 /nfs/dbraw/zinc/80/42/31/780804231.db2.gz HPJQUNOYPITZCX-UHFFFAOYSA-N 0 0 280.375 2.836 20 10 CFCDRN Cn1ncc2cccc(-c3ccn(CC4CC4)c(=O)c3)c21 ZINC001241458199 780912367 /nfs/dbraw/zinc/91/23/67/780912367.db2.gz GUXHCEPPOPGAEI-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN [O-]c1c(C[NH2+]CCC(F)(F)F)ccc(F)c1F ZINC000703233003 781000359 /nfs/dbraw/zinc/00/03/59/781000359.db2.gz ILZDQFUBTKCTJB-UHFFFAOYSA-N 0 0 255.186 2.712 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CS1 ZINC000703284160 781002914 /nfs/dbraw/zinc/00/29/14/781002914.db2.gz CGTWNNZZXHPTBT-IONNQARKSA-N 0 0 259.321 2.654 20 10 CFCDRN CO[C@H]([C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703257730 781005357 /nfs/dbraw/zinc/00/53/57/781005357.db2.gz FDWWZIITKRKKEL-XLKFXECMSA-N 0 0 271.307 2.574 20 10 CFCDRN [O-]c1c(C[NH+]2CCC(F)(F)CC2)ccc(F)c1F ZINC000703519976 781018252 /nfs/dbraw/zinc/01/82/52/781018252.db2.gz XWMDGCONHVCNPQ-UHFFFAOYSA-N 0 0 263.234 2.902 20 10 CFCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCOC1 ZINC000703518033 781018434 /nfs/dbraw/zinc/01/84/34/781018434.db2.gz ONIBFMFAWWFGEH-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN COC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703529406 781025753 /nfs/dbraw/zinc/02/57/53/781025753.db2.gz IZEKOPXNMOOKET-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN CSc1ncc(-c2nccc3c2ccn3C)cn1 ZINC001241626155 781028796 /nfs/dbraw/zinc/02/87/96/781028796.db2.gz QVBXBPDOMOXYGH-UHFFFAOYSA-N 0 0 256.334 2.752 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnn(C2CCC2)c1 ZINC001241720052 781093350 /nfs/dbraw/zinc/09/33/50/781093350.db2.gz KPVNZUBHWOZYFO-UHFFFAOYSA-N 0 0 297.362 2.666 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000704296136 781095879 /nfs/dbraw/zinc/09/58/79/781095879.db2.gz ATHVZWCNWCADNW-OLZOCXBDSA-N 0 0 277.393 2.771 20 10 CFCDRN [O-]c1cccc(F)c1C[N@H+](CCO)Cc1cccs1 ZINC001137837314 781137602 /nfs/dbraw/zinc/13/76/02/781137602.db2.gz AXACUISPAZOADG-UHFFFAOYSA-N 0 0 281.352 2.587 20 10 CFCDRN [O-]c1cccc(F)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC001137838782 781164131 /nfs/dbraw/zinc/16/41/31/781164131.db2.gz KLIZPRPEPNMNSC-UHFFFAOYSA-N 0 0 279.355 2.924 20 10 CFCDRN CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])s2)cc1 ZINC000706238928 781168126 /nfs/dbraw/zinc/16/81/26/781168126.db2.gz JMRLQFXYLXVPFZ-UHFFFAOYSA-N 0 0 290.388 2.802 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]CC1=CCOCC1 ZINC000706858475 781206059 /nfs/dbraw/zinc/20/60/59/781206059.db2.gz YLGFIKFTTAVEKC-UHFFFAOYSA-N 0 0 298.180 2.591 20 10 CFCDRN CNc1ccc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001242071250 781264000 /nfs/dbraw/zinc/26/40/00/781264000.db2.gz OJZCZRNRVZPEOQ-UHFFFAOYSA-N 0 0 257.337 2.608 20 10 CFCDRN Cc1conc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000708223424 781267633 /nfs/dbraw/zinc/26/76/33/781267633.db2.gz ZDVZLGHHSITTGQ-LBPRGKRZSA-N 0 0 259.353 2.900 20 10 CFCDRN COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC(C)C ZINC000708413027 781273222 /nfs/dbraw/zinc/27/32/22/781273222.db2.gz KUIYWWSBRGXHGZ-UHFFFAOYSA-N 0 0 273.323 2.775 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000708440610 781275251 /nfs/dbraw/zinc/27/52/51/781275251.db2.gz CXFYEWGLLGAMRS-QWHCGFSZSA-N 0 0 283.318 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000708455598 781275420 /nfs/dbraw/zinc/27/54/20/781275420.db2.gz WSLXVHIODJZWBK-VIFPVBQESA-N 0 0 263.234 2.948 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000708695686 781276939 /nfs/dbraw/zinc/27/69/39/781276939.db2.gz PMPIKDFYQPAAEM-WVSHTKLVSA-N 0 0 255.745 2.560 20 10 CFCDRN Cc1noc(C)c1-c1cc(=O)n(C)c2ccccc12 ZINC001242110064 781284312 /nfs/dbraw/zinc/28/43/12/781284312.db2.gz XGMJLDISZDQYHJ-UHFFFAOYSA-N 0 0 254.289 2.810 20 10 CFCDRN CC(C)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000709028899 781288220 /nfs/dbraw/zinc/28/82/20/781288220.db2.gz ISNIJDIJMWPQRH-CQSZACIVSA-N 0 0 269.772 2.902 20 10 CFCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708487454 781290618 /nfs/dbraw/zinc/29/06/18/781290618.db2.gz XQLCJYNVCVWDRZ-VIFPVBQESA-N 0 0 267.275 2.984 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000708501099 781291325 /nfs/dbraw/zinc/29/13/25/781291325.db2.gz AXSURBXLDWLPNJ-GFCCVEGCSA-N 0 0 271.307 2.719 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000708505036 781291696 /nfs/dbraw/zinc/29/16/96/781291696.db2.gz WRAFJJNOFYEFKL-VIFPVBQESA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000708534884 781292300 /nfs/dbraw/zinc/29/23/00/781292300.db2.gz GARGREMHPJTTQQ-VHSXEESVSA-N 0 0 271.307 2.575 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535649 781293103 /nfs/dbraw/zinc/29/31/03/781293103.db2.gz OQUOBIWXCYNZFC-ZDUSSCGKSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000709338885 781309907 /nfs/dbraw/zinc/30/99/07/781309907.db2.gz DKOBUPBMKBEPTO-GFCCVEGCSA-N 0 0 289.253 2.512 20 10 CFCDRN CCn1ccc(-c2ccc(OC(F)F)nc2)cc1=O ZINC001242421466 781488116 /nfs/dbraw/zinc/48/81/16/781488116.db2.gz MLTZRBHGRZYFMM-UHFFFAOYSA-N 0 0 266.247 2.532 20 10 CFCDRN Nc1cncc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001242501250 781548799 /nfs/dbraw/zinc/54/87/99/781548799.db2.gz LVMVGWWYJXDJAG-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN CC(C)Cn1ccc(-c2cncc(N(C)C)c2)cc1=O ZINC001242528421 781569987 /nfs/dbraw/zinc/56/99/87/781569987.db2.gz OEXZMWLKAIBOKG-UHFFFAOYSA-N 0 0 271.364 2.632 20 10 CFCDRN CCn1ccc(-c2ccc(OC(F)(F)F)nc2)cc1=O ZINC001242779268 781757539 /nfs/dbraw/zinc/75/75/39/781757539.db2.gz HJUXTZPUUIELQW-UHFFFAOYSA-N 0 0 284.237 2.829 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC001120072138 781906208 /nfs/dbraw/zinc/90/62/08/781906208.db2.gz RLFLYVWXKHXXGO-ZDUSSCGKSA-N 0 0 283.318 2.862 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C\c1cccnc1)CC2 ZINC000299736780 334929963 /nfs/dbraw/zinc/92/99/63/334929963.db2.gz GFJTZVJOIMQUEC-FPLPWBNLSA-N 0 0 264.328 2.993 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccn1C ZINC000070899963 346915927 /nfs/dbraw/zinc/91/59/27/346915927.db2.gz DGSODHWAEISDSC-UHFFFAOYSA-N 0 0 285.391 2.753 20 10 CFCDRN Cc1noc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028330224 346274956 /nfs/dbraw/zinc/27/49/56/346274956.db2.gz UAJCYFLVBYJEKF-UHFFFAOYSA-N 0 0 299.374 2.822 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H]2CCCC[C@H]12 ZINC000193158840 290780682 /nfs/dbraw/zinc/78/06/82/290780682.db2.gz IAZJHZVAALKZGK-LOWVWBTDSA-N 0 0 275.348 2.749 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)no1 ZINC000058515108 346645726 /nfs/dbraw/zinc/64/57/26/346645726.db2.gz QFOHXYJSRFYBOH-UHFFFAOYSA-N 0 0 292.314 2.510 20 10 CFCDRN CN(C)c1ccc(CNc2ncccc2[N+](=O)[O-])cc1F ZINC000058545436 346646207 /nfs/dbraw/zinc/64/62/07/346646207.db2.gz URJYTZYECGADKQ-UHFFFAOYSA-N 0 0 290.298 2.807 20 10 CFCDRN Cc1nnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000077225006 347177023 /nfs/dbraw/zinc/17/70/23/347177023.db2.gz ZMGQBLMIBVVHBY-UHFFFAOYSA-N 0 0 262.382 2.833 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccncc3F)ccc21 ZINC000078099154 347228244 /nfs/dbraw/zinc/22/82/44/347228244.db2.gz ANUQFBVAWDZYMO-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224876944 539671410 /nfs/dbraw/zinc/67/14/10/539671410.db2.gz XWJFMDAHWFVGSC-NSHDSACASA-N 0 0 271.788 2.934 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000296980405 540139554 /nfs/dbraw/zinc/13/95/54/540139554.db2.gz FGNCKUAXBUPLEB-KBPBESRZSA-N 0 0 287.407 2.837 20 10 CFCDRN CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293742689 198754666 /nfs/dbraw/zinc/75/46/66/198754666.db2.gz XJRADMFTZLWUFS-AMIZOPFISA-N 0 0 275.751 2.681 20 10 CFCDRN CCC1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000296646177 199957035 /nfs/dbraw/zinc/95/70/35/199957035.db2.gz YLWYYYCZDVTDPG-SECBINFHSA-N 0 0 250.298 2.894 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297335039 200152817 /nfs/dbraw/zinc/15/28/17/200152817.db2.gz OFKOJUIMUFPKFH-QMMMGPOBSA-N 0 0 274.267 2.996 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CC2(CCC2)c2ccccc21 ZINC000493526093 283725024 /nfs/dbraw/zinc/72/50/24/283725024.db2.gz VPZDPIRSQMNHDM-VOTSOKGWSA-N 0 0 291.354 2.958 20 10 CFCDRN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000237392106 291322302 /nfs/dbraw/zinc/32/23/02/291322302.db2.gz JNSYRJIYYOSGLV-ZUZCIYMTSA-N 0 0 268.316 2.772 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000276976614 299368193 /nfs/dbraw/zinc/36/81/93/299368193.db2.gz VDSVLNBZPDUDFU-AXTRIDKLSA-N 0 0 271.307 2.625 20 10 CFCDRN C[C@@H]([NH2+]C1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273474333 296115385 /nfs/dbraw/zinc/11/53/85/296115385.db2.gz KLKPEVDFPURALE-SECBINFHSA-N 0 0 282.365 2.847 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276199441 296116550 /nfs/dbraw/zinc/11/65/50/296116550.db2.gz NIFYAFCRZDPUDU-SECBINFHSA-N 0 0 272.339 2.661 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000276863542 296129062 /nfs/dbraw/zinc/12/90/62/296129062.db2.gz CYPGRWSNRQYYNQ-ZJUUUORDSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)c(F)c1[O-] ZINC000364791419 299393512 /nfs/dbraw/zinc/39/35/12/299393512.db2.gz OFXWRUDTXFNUQV-XABDRZNLSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000296107762 296165949 /nfs/dbraw/zinc/16/59/49/296165949.db2.gz ZGVFSWZCXGTIRV-PRJMDXOYSA-N 0 0 276.163 2.873 20 10 CFCDRN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000296350990 284307259 /nfs/dbraw/zinc/30/72/59/284307259.db2.gz IHLAMIMQNBXXKK-ABAIWWIYSA-N 0 0 296.386 2.685 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)cn2C)cc1 ZINC000027132945 372335606 /nfs/dbraw/zinc/33/56/06/372335606.db2.gz PAYUEWSQXQNETI-UHFFFAOYSA-N 0 0 291.782 2.675 20 10 CFCDRN CCn1cc(N[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000035780519 372552621 /nfs/dbraw/zinc/55/26/21/372552621.db2.gz FNJKBRHDUYAVSU-SNVBAGLBSA-N 0 0 261.325 2.790 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccnc1 ZINC000104402543 375781749 /nfs/dbraw/zinc/78/17/49/375781749.db2.gz PRSANROFJBRIDS-AATRIKPKSA-N 0 0 271.295 2.682 20 10 CFCDRN C[C@H]([NH2+]CC1CCOCC1)c1ccc(F)cc1[O-] ZINC000111159063 375833412 /nfs/dbraw/zinc/83/34/12/375833412.db2.gz PKEHXHVGHJBABI-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]1C1CC1 ZINC000529510417 383714284 /nfs/dbraw/zinc/71/42/84/383714284.db2.gz BGYQWXQQNJFCTG-MCCGJVOXSA-N 0 0 279.767 2.954 20 10 CFCDRN C[C@@H]1[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]1C1CC1 ZINC000529510420 383714344 /nfs/dbraw/zinc/71/43/44/383714344.db2.gz BGYQWXQQNJFCTG-PCTYZZJISA-N 0 0 279.767 2.954 20 10 CFCDRN CC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccccc1O ZINC000121098278 376761823 /nfs/dbraw/zinc/76/18/23/376761823.db2.gz YHBAUMXDRNKJTB-CQSZACIVSA-N 0 0 259.353 2.638 20 10 CFCDRN COCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000124591554 377067510 /nfs/dbraw/zinc/06/75/10/377067510.db2.gz ZHCXXSIBCSRJPQ-UHFFFAOYSA-N 0 0 269.772 2.904 20 10 CFCDRN CC[C@H](CCO)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124859996 377097014 /nfs/dbraw/zinc/09/70/14/377097014.db2.gz RJOQSRDFXQWTLD-SNVBAGLBSA-N 0 0 257.761 2.544 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H](c2ccccc2)C1 ZINC000126376777 377223601 /nfs/dbraw/zinc/22/36/01/377223601.db2.gz KEJJLOLHEQTWGR-ZDUSSCGKSA-N 0 0 283.327 2.728 20 10 CFCDRN C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126005500 377206883 /nfs/dbraw/zinc/20/68/83/377206883.db2.gz WLLVKDNQMXSBSI-GUYCJALGSA-N 0 0 297.402 2.630 20 10 CFCDRN CN(C)c1ccc(CN2CCOCC2(C)C)cc1F ZINC000130875442 377623903 /nfs/dbraw/zinc/62/39/03/377623903.db2.gz PPNJUDPQFGQIQK-UHFFFAOYSA-N 0 0 266.360 2.503 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)c2cccs2)c1O ZINC000131035049 377647894 /nfs/dbraw/zinc/64/78/94/377647894.db2.gz MQNZERUREFFLDF-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1=CCCCCC1 ZINC000131840458 377765114 /nfs/dbraw/zinc/76/51/14/377765114.db2.gz SAZNALJLQXBGJN-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN COc1ccc(N(CC(OC)OC)[C@@H](C)C2CC2)cc1 ZINC000136793193 378211158 /nfs/dbraw/zinc/21/11/58/378211158.db2.gz FGAAOTTUTSDLHR-LBPRGKRZSA-N 0 0 279.380 2.919 20 10 CFCDRN C[C@@H](NCc1nncn1C)c1ccc(N2CCCCC2)cc1 ZINC000152340681 378410131 /nfs/dbraw/zinc/41/01/31/378410131.db2.gz WFSOUIWEROAWAZ-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN CCC(C)(C)OC1CN(Cc2cc(F)ccc2O)C1 ZINC000529642425 383740539 /nfs/dbraw/zinc/74/05/39/383740539.db2.gz ROPLALLEXXJLGL-UHFFFAOYSA-N 0 0 267.344 2.921 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCC2(C)CCC2)cc1 ZINC000176417426 380229276 /nfs/dbraw/zinc/22/92/76/380229276.db2.gz SYRQKLNQJONIKM-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN COc1ccc(N(C)CC2CCOCC2)cc1F ZINC000177065639 380300437 /nfs/dbraw/zinc/30/04/37/380300437.db2.gz WSVOSWJWGABRHD-UHFFFAOYSA-N 0 0 253.317 2.697 20 10 CFCDRN C[C@@H](COCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000178607524 380469618 /nfs/dbraw/zinc/46/96/18/380469618.db2.gz JVHVNWJMIFGYLW-AWEZNQCLSA-N 0 0 298.386 2.533 20 10 CFCDRN C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1O ZINC000179888613 380591240 /nfs/dbraw/zinc/59/12/40/380591240.db2.gz QHUGKQLEXQYMQO-UHFFFAOYSA-N 0 0 289.306 2.892 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000180014823 380608455 /nfs/dbraw/zinc/60/84/55/380608455.db2.gz KEEOGOCTKDAUFE-GFCCVEGCSA-N 0 0 297.782 2.631 20 10 CFCDRN COCCN(Cc1cc(F)ccc1O)CC(F)(F)F ZINC000180009695 380608920 /nfs/dbraw/zinc/60/89/20/380608920.db2.gz BPJJSAISOQHIOF-UHFFFAOYSA-N 0 0 281.249 2.542 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000180723179 380693337 /nfs/dbraw/zinc/69/33/37/380693337.db2.gz QEMBTYZBRVCRBP-OAHLLOKOSA-N 0 0 279.380 2.648 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC=CCC1 ZINC000180983644 380721368 /nfs/dbraw/zinc/72/13/68/380721368.db2.gz MVESNEJMFOVCHF-XOVSCCBYSA-N 0 0 273.332 2.584 20 10 CFCDRN CC[C@H](CSC)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181310672 380773217 /nfs/dbraw/zinc/77/32/17/380773217.db2.gz FUSDRPDACBKWNQ-WAFBPQNNSA-N 0 0 295.404 2.711 20 10 CFCDRN COC(=O)c1cnc(SCCc2cccnc2)s1 ZINC000295370273 380814799 /nfs/dbraw/zinc/81/47/99/380814799.db2.gz SHFCFSRYUUUQPW-UHFFFAOYSA-N 0 0 280.374 2.660 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000287417222 380828114 /nfs/dbraw/zinc/82/81/14/380828114.db2.gz JYQIOQKCMUPRFQ-JKOKRWQUSA-N 0 0 267.344 2.733 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(CC(C)C)o2)c1 ZINC000181772376 380890645 /nfs/dbraw/zinc/89/06/45/380890645.db2.gz FHSDNXAZJDDXQI-UHFFFAOYSA-N 0 0 261.325 2.894 20 10 CFCDRN CCCOc1ccc(CNc2nnc(OC)s2)c(O)c1 ZINC000287648109 380898125 /nfs/dbraw/zinc/89/81/25/380898125.db2.gz JVCOTIBOEVOLEG-UHFFFAOYSA-N 0 0 295.364 2.653 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCOC1CCC1 ZINC000287954755 380980625 /nfs/dbraw/zinc/98/06/25/380980625.db2.gz YILKPHPXKKVEJG-UHFFFAOYSA-N 0 0 276.380 2.521 20 10 CFCDRN c1cc(CNCc2noc3c2CCCC3)cc2c1OCC2 ZINC000288404774 381012063 /nfs/dbraw/zinc/01/20/63/381012063.db2.gz IIRZZIVOCJDKAW-UHFFFAOYSA-N 0 0 284.359 2.778 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H]2CCNC(=O)CC2)cc1 ZINC000295720826 381035610 /nfs/dbraw/zinc/03/56/10/381035610.db2.gz UDOIBZWCDKNTKY-CQSZACIVSA-N 0 0 290.407 2.828 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000295838005 381107560 /nfs/dbraw/zinc/10/75/60/381107560.db2.gz AIPWVNLXOZUNIV-ZJUUUORDSA-N 0 0 255.333 2.731 20 10 CFCDRN CC[C@H](c1ccccc1O)N1CCn2c(nnc2C2CC2)C1 ZINC000368815999 381140463 /nfs/dbraw/zinc/14/04/63/381140463.db2.gz IGWSSMZPSXLUJQ-CQSZACIVSA-N 0 0 298.390 2.828 20 10 CFCDRN CNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295933655 381166432 /nfs/dbraw/zinc/16/64/32/381166432.db2.gz KNGKWNYRTYMUAC-HNNXBMFYSA-N 0 0 296.370 2.529 20 10 CFCDRN CS[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182851983 381170941 /nfs/dbraw/zinc/17/09/41/381170941.db2.gz MLAAHMPJDNOZEI-NSHDSACASA-N 0 0 295.404 2.764 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(CO)cc2)c(OC)c1 ZINC000182927500 381184013 /nfs/dbraw/zinc/18/40/13/381184013.db2.gz PIWAPSOBZMFOES-UHFFFAOYSA-N 0 0 287.359 2.833 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c(O)c1O ZINC000182964950 381191535 /nfs/dbraw/zinc/19/15/35/381191535.db2.gz VJUOADXRHMLUPQ-ONGXEEELSA-N 0 0 263.337 2.524 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)CC2 ZINC000295999219 381205621 /nfs/dbraw/zinc/20/56/21/381205621.db2.gz OFOQGMYATCLYGD-HOCLYGCPSA-N 0 0 287.334 2.842 20 10 CFCDRN CO[C@@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183104108 381216111 /nfs/dbraw/zinc/21/61/11/381216111.db2.gz BXYCRJYIWRPWKC-AWEZNQCLSA-N 0 0 290.407 2.718 20 10 CFCDRN C[C@H]1CC(C(=O)NCc2ccc(O)c(O)c2)C[C@H](C)C1 ZINC000182838167 381169163 /nfs/dbraw/zinc/16/91/63/381169163.db2.gz FYLQGFZHOWTUFK-GHMZBOCLSA-N 0 0 277.364 2.786 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@](C)(F)C2)cc1 ZINC000296121728 381265027 /nfs/dbraw/zinc/26/50/27/381265027.db2.gz BKQUJZLASWMLSA-MRXNPFEDSA-N 0 0 293.386 2.786 20 10 CFCDRN C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000296468234 381410086 /nfs/dbraw/zinc/41/00/86/381410086.db2.gz NPWRATKSOTVVDJ-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN COC1(C(=O)N(C)Cc2ccccc2O)CCCCC1 ZINC000184313191 381399915 /nfs/dbraw/zinc/39/99/15/381399915.db2.gz DASPMGDEUXAHSP-UHFFFAOYSA-N 0 0 277.364 2.700 20 10 CFCDRN CC[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000296541759 381441374 /nfs/dbraw/zinc/44/13/74/381441374.db2.gz RALNKBNDWGSNBX-HNNXBMFYSA-N 0 0 299.422 2.989 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000184821120 381483225 /nfs/dbraw/zinc/48/32/25/381483225.db2.gz KJDYAVBCJUMIKG-HUUCEWRRSA-N 0 0 260.381 2.661 20 10 CFCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000184991138 381507578 /nfs/dbraw/zinc/50/75/78/381507578.db2.gz XXBKCKHVERJEHL-CSKARUKUSA-N 0 0 263.337 2.706 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC000296839980 381544978 /nfs/dbraw/zinc/54/49/78/381544978.db2.gz BUIZVHBPIICWKK-LLVKDONJSA-N 0 0 266.410 2.807 20 10 CFCDRN CCCN(Cc1cc(COC)on1)Cc1ccccc1O ZINC000297929055 381575185 /nfs/dbraw/zinc/57/51/85/381575185.db2.gz UKZZXYQPHAMCGS-UHFFFAOYSA-N 0 0 290.363 2.939 20 10 CFCDRN Cc1cc(C)c(OCC(=O)NCc2ccc(N)cc2)c(C)c1 ZINC000297150544 381553149 /nfs/dbraw/zinc/55/31/49/381553149.db2.gz IWCNWTJSKCCTFK-UHFFFAOYSA-N 0 0 298.386 2.889 20 10 CFCDRN Cc1cccc(OCCC(=O)NCc2ccc(N)cc2)c1C ZINC000297188868 381553378 /nfs/dbraw/zinc/55/33/78/381553378.db2.gz LPPCDFBBOAQSKO-UHFFFAOYSA-N 0 0 298.386 2.971 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC1 ZINC000298308108 381583298 /nfs/dbraw/zinc/58/32/98/381583298.db2.gz CBDQJGAVEYLANP-UHFFFAOYSA-N 0 0 260.381 2.900 20 10 CFCDRN O=C(N[C@H]1CC12CCCCC2)c1c(F)ccc(O)c1O ZINC000297596318 381567723 /nfs/dbraw/zinc/56/77/23/381567723.db2.gz UOCFCZJQMQQLHU-NSHDSACASA-N 0 0 279.311 2.690 20 10 CFCDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000298415879 381616941 /nfs/dbraw/zinc/61/69/41/381616941.db2.gz PKWLYXFJKDNNPZ-FZMZJTMJSA-N 0 0 283.375 2.875 20 10 CFCDRN Cc1cccc(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1O ZINC000371469080 381635071 /nfs/dbraw/zinc/63/50/71/381635071.db2.gz CYEXEZWVCCBBIA-BMFZPTHFSA-N 0 0 275.392 2.946 20 10 CFCDRN CN1CCc2cc(CNc3cnc4c(c3)COCC4)ccc21 ZINC000371490473 381642866 /nfs/dbraw/zinc/64/28/66/381642866.db2.gz XCGYBHPXTXHNLS-UHFFFAOYSA-N 0 0 295.386 2.759 20 10 CFCDRN Oc1ccc(F)cc1CNc1cccc2c1OCC[C@H]2O ZINC000185578857 381670129 /nfs/dbraw/zinc/67/01/29/381670129.db2.gz YODPIKQFWVJKJN-OAHLLOKOSA-N 0 0 289.306 2.959 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CF ZINC000355597456 381785683 /nfs/dbraw/zinc/78/56/83/381785683.db2.gz IATRBBMGRDNTHY-SNVBAGLBSA-N 0 0 277.343 2.644 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC=CCC1 ZINC000299326119 381895970 /nfs/dbraw/zinc/89/59/70/381895970.db2.gz PYLKAOCNAAPGJS-CYBMUJFWSA-N 0 0 274.364 2.890 20 10 CFCDRN Cc1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)no1 ZINC000373123000 381933249 /nfs/dbraw/zinc/93/32/49/381933249.db2.gz HLHXQRWFGQRSJP-LBPRGKRZSA-N 0 0 291.326 2.602 20 10 CFCDRN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000186562902 381948004 /nfs/dbraw/zinc/94/80/04/381948004.db2.gz GQBHWWOCHVBZQS-GXFFZTMASA-N 0 0 279.311 2.899 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186747161 382001702 /nfs/dbraw/zinc/00/17/02/382001702.db2.gz SJHQBVWIEZVDEM-PLQHRBFRSA-N 0 0 291.391 2.827 20 10 CFCDRN CN1CCc2cc(CNC(=O)CCc3ccccc3)ccc21 ZINC000373487091 382016086 /nfs/dbraw/zinc/01/60/86/382016086.db2.gz YPSZYOHWQQZWAJ-UHFFFAOYSA-N 0 0 294.398 2.928 20 10 CFCDRN Cc1ccc(O)c(CNc2cnc3c(c2)COCC3)c1 ZINC000375056622 382067483 /nfs/dbraw/zinc/06/74/83/382067483.db2.gz YCAGYUVLYNYOAT-UHFFFAOYSA-N 0 0 270.332 2.780 20 10 CFCDRN COc1cccc(C[N@@H+]2CCC[C@]3(CCCCO3)C2)c1O ZINC000376029675 382117502 /nfs/dbraw/zinc/11/75/02/382117502.db2.gz PKUDYPRBSZJTIN-QGZVFWFLSA-N 0 0 291.391 2.936 20 10 CFCDRN Cc1nc([C@H]2CCCCN2Cc2cccc(F)c2O)no1 ZINC000376163992 382123104 /nfs/dbraw/zinc/12/31/04/382123104.db2.gz DOBPQZABUDWLCZ-CYBMUJFWSA-N 0 0 291.326 2.950 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1F ZINC000375354776 382082170 /nfs/dbraw/zinc/08/21/70/382082170.db2.gz HFOMKSUZOADGGJ-OAHLLOKOSA-N 0 0 288.370 2.952 20 10 CFCDRN CCOc1cccc(CN2CCC[C@H]2c2ncc[nH]2)c1O ZINC000375353600 382082346 /nfs/dbraw/zinc/08/23/46/382082346.db2.gz CGMFZNWDAOZNGU-ZDUSSCGKSA-N 0 0 287.363 2.851 20 10 CFCDRN COCC1=CC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000187613936 382226836 /nfs/dbraw/zinc/22/68/36/382226836.db2.gz NFMDWMMBGJUGRE-UHFFFAOYSA-N 0 0 267.756 2.824 20 10 CFCDRN C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293680016 382230536 /nfs/dbraw/zinc/23/05/36/382230536.db2.gz RIBNDTANSFXWOG-XPTSAGLGSA-N 0 0 298.789 2.757 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000293688193 382233156 /nfs/dbraw/zinc/23/31/56/382233156.db2.gz SBUPKRDPHQIZPO-ZDUSSCGKSA-N 0 0 299.729 2.909 20 10 CFCDRN Fc1cnc(NCCCSc2nccs2)nc1 ZINC000301776858 382192805 /nfs/dbraw/zinc/19/28/05/382192805.db2.gz LRENPFDSZILODB-UHFFFAOYSA-N 0 0 270.358 2.667 20 10 CFCDRN Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1N(C)C ZINC000293797641 382283011 /nfs/dbraw/zinc/28/30/11/382283011.db2.gz NAOXYXWIDUGENQ-UHFFFAOYSA-N 0 0 274.408 2.816 20 10 CFCDRN CCOc1cncc(N2CC=C(c3cnccc3C)CC2)n1 ZINC000363814341 382248185 /nfs/dbraw/zinc/24/81/85/382248185.db2.gz GJMLOHLOFUAISJ-UHFFFAOYSA-N 0 0 296.374 2.872 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187732469 382260186 /nfs/dbraw/zinc/26/01/86/382260186.db2.gz MDRQGMCQQIKJFR-CWSCBRNRSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(F)c(F)c1[O-] ZINC000187741405 382261605 /nfs/dbraw/zinc/26/16/05/382261605.db2.gz MDEYQUOBSVKOBY-SECBINFHSA-N 0 0 273.323 2.730 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccccc1O ZINC000293751092 382262451 /nfs/dbraw/zinc/26/24/51/382262451.db2.gz RISQHFIQLPBZQZ-TZMCWYRMSA-N 0 0 250.386 2.631 20 10 CFCDRN CSC[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000187783229 382267606 /nfs/dbraw/zinc/26/76/06/382267606.db2.gz PDYJYYOCRMVNSK-GFCCVEGCSA-N 0 0 294.445 2.903 20 10 CFCDRN CCc1nocc1CN(C)Cc1cc(F)ccc1O ZINC000293763310 382269233 /nfs/dbraw/zinc/26/92/33/382269233.db2.gz XZEYWSJQNUFJRP-UHFFFAOYSA-N 0 0 264.300 2.714 20 10 CFCDRN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293893991 382326163 /nfs/dbraw/zinc/32/61/63/382326163.db2.gz DWMZXSOLEXJFRQ-LKFCYVNXSA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)[C@]1(CO)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000294149808 382434622 /nfs/dbraw/zinc/43/46/22/382434622.db2.gz VHQGYOFJBQTNSC-MRXNPFEDSA-N 0 0 281.371 2.762 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188569089 382436995 /nfs/dbraw/zinc/43/69/95/382436995.db2.gz JKDYWSYCBYUYFH-RAIGVLPGSA-N 0 0 267.756 2.703 20 10 CFCDRN C[N@H+](CCCn1ccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294061508 382399432 /nfs/dbraw/zinc/39/94/32/382399432.db2.gz XVACBOBLXYECEX-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1nc(C)cs1 ZINC000188425191 382411308 /nfs/dbraw/zinc/41/13/08/382411308.db2.gz PCESGLPOKUAHOR-SNVBAGLBSA-N 0 0 292.360 2.744 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000378538099 382479463 /nfs/dbraw/zinc/47/94/63/382479463.db2.gz ZZKJCYBEOINOKU-FZMZJTMJSA-N 0 0 280.799 2.572 20 10 CFCDRN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294576921 382516842 /nfs/dbraw/zinc/51/68/42/382516842.db2.gz GTIFHVUKAQOJTG-YUMQZZPRSA-N 0 0 261.724 2.698 20 10 CFCDRN O=C(NCCC1CCCC1)c1c(F)ccc(O)c1O ZINC000294941079 382544909 /nfs/dbraw/zinc/54/49/09/382544909.db2.gz VGWBKJMNBXJUAL-UHFFFAOYSA-N 0 0 267.300 2.547 20 10 CFCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295249686 382598762 /nfs/dbraw/zinc/59/87/62/382598762.db2.gz GSJGZRDFWCDTJU-KGLIPLIRSA-N 0 0 291.391 2.973 20 10 CFCDRN O[C@H](COc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC000189420123 382606632 /nfs/dbraw/zinc/60/66/32/382606632.db2.gz LJLDQSCMXHSQIC-LBPRGKRZSA-N 0 0 289.297 2.979 20 10 CFCDRN COC(=O)c1cnc(SC[C@@H]2CCC(C)(C)O2)s1 ZINC000295289325 382608949 /nfs/dbraw/zinc/60/89/49/382608949.db2.gz LGIAUESWPJVSBH-QMMMGPOBSA-N 0 0 287.406 2.979 20 10 CFCDRN COC(=O)c1cnc(SCOC2CCCC2)s1 ZINC000295301472 382611177 /nfs/dbraw/zinc/61/11/77/382611177.db2.gz MGPJFHAQXPXFAX-UHFFFAOYSA-N 0 0 273.379 2.939 20 10 CFCDRN CC[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190104494 382653548 /nfs/dbraw/zinc/65/35/48/382653548.db2.gz JBBRRJGLUSQWHX-GHMZBOCLSA-N 0 0 265.353 2.581 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1CCCC1 ZINC000190860902 382682923 /nfs/dbraw/zinc/68/29/23/382682923.db2.gz DOCUFRUBMZTBFI-HNNXBMFYSA-N 0 0 263.381 2.765 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2cccn2C)cc1 ZINC000193556866 382720988 /nfs/dbraw/zinc/72/09/88/382720988.db2.gz ADEULGDBXPOCBJ-GOSISDBHSA-N 0 0 299.418 2.665 20 10 CFCDRN Cc1ccc(OCCN(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000237181060 382952922 /nfs/dbraw/zinc/95/29/22/382952922.db2.gz NYOXFAVTSFBYML-UHFFFAOYSA-N 0 0 298.386 2.657 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000248480620 383249243 /nfs/dbraw/zinc/24/92/43/383249243.db2.gz ATLVMPVEZNDCAB-FFFUXKDYSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(F)ccc1O ZINC000248526213 383253883 /nfs/dbraw/zinc/25/38/83/383253883.db2.gz UWJTVBDWXBNCNB-PVRXDPTQSA-N 0 0 279.355 2.995 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249161832 383333355 /nfs/dbraw/zinc/33/33/55/383333355.db2.gz JKDYWSYCBYUYFH-UHTWSYAYSA-N 0 0 267.756 2.703 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1nc(C)cc(C)n1 ZINC000480509668 383417465 /nfs/dbraw/zinc/41/74/65/383417465.db2.gz MZNWWBINXOSOMK-UHFFFAOYSA-N 0 0 280.375 2.928 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1 ZINC000264953805 383806325 /nfs/dbraw/zinc/80/63/25/383806325.db2.gz XBHAAPDVGYGEFC-INIZCTEOSA-N 0 0 296.370 2.545 20 10 CFCDRN COc1cncc(NCc2c(C)c3ccccc3n2C)n1 ZINC000572949362 383843915 /nfs/dbraw/zinc/84/39/15/383843915.db2.gz QUCPLNYZBGSODL-UHFFFAOYSA-N 0 0 282.347 2.897 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCS2)cc1 ZINC000266565843 384200561 /nfs/dbraw/zinc/20/05/61/384200561.db2.gz KIEZJMBGVPDEFZ-AWEZNQCLSA-N 0 0 278.421 2.607 20 10 CFCDRN Cc1cccnc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000267358638 384366135 /nfs/dbraw/zinc/36/61/35/384366135.db2.gz NLKDWGICZCZSFJ-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2(C)CCC2)cc1 ZINC000267478897 384401436 /nfs/dbraw/zinc/40/14/36/384401436.db2.gz SUYGCJMTMWANES-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN CCCN(CCC)C(=O)c1ccc(C)c(O)c1O ZINC000267566122 384416350 /nfs/dbraw/zinc/41/63/50/384416350.db2.gz HMICEKHASZNGAU-UHFFFAOYSA-N 0 0 251.326 2.668 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000267693054 384444556 /nfs/dbraw/zinc/44/45/56/384444556.db2.gz IDFLRXYKZJWTSS-HUUCEWRRSA-N 0 0 299.418 2.860 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000268075513 384525050 /nfs/dbraw/zinc/52/50/50/384525050.db2.gz AACSHDGMYFLNIP-HZPDHXFCSA-N 0 0 290.407 2.669 20 10 CFCDRN COc1ccc(N(C)CCCc2nc(C)no2)cc1F ZINC000268734142 384652088 /nfs/dbraw/zinc/65/20/88/384652088.db2.gz NXWDFIUYMFJURB-UHFFFAOYSA-N 0 0 279.315 2.595 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCO1 ZINC000269349349 384750302 /nfs/dbraw/zinc/75/03/02/384750302.db2.gz MHGMEIQOXMXFKK-MRXNPFEDSA-N 0 0 290.407 2.670 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCO1 ZINC000270006260 384939118 /nfs/dbraw/zinc/93/91/18/384939118.db2.gz CQYZVELMYWBPOO-MRXNPFEDSA-N 0 0 290.407 2.669 20 10 CFCDRN CN(C)c1cccc(CCC(=O)NCc2ccccc2O)c1 ZINC000281439607 385196360 /nfs/dbraw/zinc/19/63/60/385196360.db2.gz FDKCQSZGRCRSAR-UHFFFAOYSA-N 0 0 298.386 2.707 20 10 CFCDRN C[C@H](Sc1ncc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000281813032 385204456 /nfs/dbraw/zinc/20/44/56/385204456.db2.gz GZQVYPSLGHMFHW-LURJTMIESA-N 0 0 290.366 2.874 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOCC ZINC000282700406 385373555 /nfs/dbraw/zinc/37/35/55/385373555.db2.gz FULPQWYLNXQEJM-UHFFFAOYSA-N 0 0 294.395 2.740 20 10 CFCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)[O-])cc1 ZINC000283763243 385496862 /nfs/dbraw/zinc/49/68/62/385496862.db2.gz AVKSNTKZDLBHHJ-UHFFFAOYSA-N 0 0 298.386 2.887 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)n(C)n1 ZINC000284062023 385529966 /nfs/dbraw/zinc/52/99/66/385529966.db2.gz MSNHYCRPEKCOTM-CYBMUJFWSA-N 0 0 273.380 2.902 20 10 CFCDRN CCCCN(CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272407033 385530454 /nfs/dbraw/zinc/53/04/54/385530454.db2.gz IMLHRZRGGRIBCU-VQHVLOKHSA-N 0 0 263.337 2.760 20 10 CFCDRN CCOc1cccc(CNC(C)(C)c2nc(C)no2)c1O ZINC000284132571 385538817 /nfs/dbraw/zinc/53/88/17/385538817.db2.gz UNLVTDWOXBZSSJ-UHFFFAOYSA-N 0 0 291.351 2.507 20 10 CFCDRN CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1 ZINC000272401077 385528216 /nfs/dbraw/zinc/52/82/16/385528216.db2.gz HWGDTXCHLAZLLP-FNORWQNLSA-N 0 0 261.321 2.560 20 10 CFCDRN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)cc1[O-] ZINC000285742347 385556965 /nfs/dbraw/zinc/55/69/65/385556965.db2.gz RENSEASQRBZUPL-CYBMUJFWSA-N 0 0 268.376 2.912 20 10 CFCDRN CC[C@@H](C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000285721106 385557053 /nfs/dbraw/zinc/55/70/53/385557053.db2.gz FPSWVPMYASGRIK-NEPJUHHUSA-N 0 0 279.380 2.971 20 10 CFCDRN CC[C@@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000285721132 385557168 /nfs/dbraw/zinc/55/71/68/385557168.db2.gz FPSWVPMYASGRIK-VXGBXAGGSA-N 0 0 279.380 2.971 20 10 CFCDRN CC[C@H]([NH2+]CCCOCCOC)c1ccc(F)cc1[O-] ZINC000285863336 385557686 /nfs/dbraw/zinc/55/76/86/385557686.db2.gz YOIAPIGAEIIIFP-AWEZNQCLSA-N 0 0 285.359 2.625 20 10 CFCDRN CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(F)cc1[O-] ZINC000285906238 385558413 /nfs/dbraw/zinc/55/84/13/385558413.db2.gz CYGVNLMLWRJTBG-SMDDNHRTSA-N 0 0 296.386 2.877 20 10 CFCDRN CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286069184 385559480 /nfs/dbraw/zinc/55/94/80/385559480.db2.gz LTQYPBISXPLINA-HIFRSBDPSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@@H]([NH2+]CCSCCCO)c1ccc(F)cc1[O-] ZINC000286186105 385568744 /nfs/dbraw/zinc/56/87/44/385568744.db2.gz RAEUIZJXAXZNFB-CYBMUJFWSA-N 0 0 287.400 2.688 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286191196 385569437 /nfs/dbraw/zinc/56/94/37/385569437.db2.gz QUUOQMFYFBJZAC-FLBZCCBISA-N 0 0 267.344 2.899 20 10 CFCDRN CC[C@@H]([NH2+]C1CCOCC1)c1ccc(F)cc1[O-] ZINC000286361120 385598428 /nfs/dbraw/zinc/59/84/28/385598428.db2.gz ZGDALEKAMWYSLI-CYBMUJFWSA-N 0 0 253.317 2.751 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)Cc2cccnc2)cc1F ZINC000272863823 385635667 /nfs/dbraw/zinc/63/56/67/385635667.db2.gz VGZRQSDUNIPXIZ-UHFFFAOYSA-N 0 0 273.355 2.919 20 10 CFCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272767901 385609088 /nfs/dbraw/zinc/60/90/88/385609088.db2.gz GZOIIWFDDMZBGZ-XJKSGUPXSA-N 0 0 291.391 2.850 20 10 CFCDRN CC1([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)OCCO1 ZINC000273184541 385673483 /nfs/dbraw/zinc/67/34/83/385673483.db2.gz OUBKQVBJJPHIAI-CYBMUJFWSA-N 0 0 295.354 2.506 20 10 CFCDRN CCn1cnnc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000273371017 385678400 /nfs/dbraw/zinc/67/84/00/385678400.db2.gz GFEHAHQRRQMENO-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273480029 385684719 /nfs/dbraw/zinc/68/47/19/385684719.db2.gz LVDZBYDJRGWPTG-CKYFFXLPSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000273554482 385687417 /nfs/dbraw/zinc/68/74/17/385687417.db2.gz GOWZWLAEUFTVJP-NHYWBVRUSA-N 0 0 298.427 2.619 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000273547898 385687700 /nfs/dbraw/zinc/68/77/00/385687700.db2.gz ZUQODAMHPMPXIH-TVQRCGJNSA-N 0 0 263.337 2.628 20 10 CFCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000273641245 385692899 /nfs/dbraw/zinc/69/28/99/385692899.db2.gz UNZDNTZOJVXKFB-UHFFFAOYSA-N 0 0 285.347 2.546 20 10 CFCDRN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C)c(O)c1O ZINC000272963754 385669014 /nfs/dbraw/zinc/66/90/14/385669014.db2.gz JWTHXWKGGCADOE-MNOVXSKESA-N 0 0 263.337 2.809 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCS2)cc1 ZINC000273018607 385670472 /nfs/dbraw/zinc/67/04/72/385670472.db2.gz YWEBKGDONSSABZ-HNNXBMFYSA-N 0 0 292.448 2.997 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000186153536 285240647 /nfs/dbraw/zinc/24/06/47/285240647.db2.gz HXXZSBDLPFOHFO-TVQRCGJNSA-N 0 0 253.317 2.607 20 10 CFCDRN CCc1ncnc(NCc2cc(OC)ccc2O)c1F ZINC000301893488 393480036 /nfs/dbraw/zinc/48/00/36/393480036.db2.gz AORKKSBEYXRPGH-UHFFFAOYSA-N 0 0 277.299 2.504 20 10 CFCDRN Cc1cccc(OCCC(=O)NCCc2ccc(N)cc2)c1 ZINC000237701066 393793541 /nfs/dbraw/zinc/79/35/41/393793541.db2.gz BALJVKDAHACIMT-UHFFFAOYSA-N 0 0 298.386 2.705 20 10 CFCDRN CCOC[C@@H](O)CN(c1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000121196143 393951390 /nfs/dbraw/zinc/95/13/90/393951390.db2.gz VNMUKHXPLXUVGJ-BBRMVZONSA-N 0 0 293.407 2.698 20 10 CFCDRN CN(CCOC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000121299396 393953512 /nfs/dbraw/zinc/95/35/12/393953512.db2.gz GZNLEQMVBASNKJ-UHFFFAOYSA-N 0 0 251.326 2.667 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nccc(C)n1 ZINC000348663889 393955275 /nfs/dbraw/zinc/95/52/75/393955275.db2.gz GKQORRJDJMPVTR-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCOC1 ZINC000348671804 393956539 /nfs/dbraw/zinc/95/65/39/393956539.db2.gz ZAMIZAPCVCWQPK-ZDUSSCGKSA-N 0 0 286.375 2.530 20 10 CFCDRN COc1ccc(N(C)CCn2cccn2)cc1Cl ZINC000121860612 393961598 /nfs/dbraw/zinc/96/15/98/393961598.db2.gz DUSWNFJBGBBYEC-UHFFFAOYSA-N 0 0 265.744 2.682 20 10 CFCDRN COc1ccc(N(C)CC(=O)NC(C)(C)C)cc1Cl ZINC000121891573 393962129 /nfs/dbraw/zinc/96/21/29/393962129.db2.gz PQPLNUHIVJHQLZ-UHFFFAOYSA-N 0 0 284.787 2.700 20 10 CFCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnccn1 ZINC000122442417 393968616 /nfs/dbraw/zinc/96/86/16/393968616.db2.gz NURHZJMLAFPERG-LLVKDONJSA-N 0 0 274.343 2.533 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2ncccc2F)cn1 ZINC000492499901 394069494 /nfs/dbraw/zinc/06/94/94/394069494.db2.gz HJLGVZBKMOWCDZ-BQYQJAHWSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(Cl)nn2)cn1 ZINC000492511247 394069948 /nfs/dbraw/zinc/06/99/48/394069948.db2.gz XLGRNLISUKGAGQ-VMPITWQZSA-N 0 0 288.738 2.510 20 10 CFCDRN COc1cncc(/C=C\C(=O)N(C)c2ccc(F)cc2)c1 ZINC000492521090 394070338 /nfs/dbraw/zinc/07/03/38/394070338.db2.gz OWTVQTWZAVWPNK-BAQGIRSFSA-N 0 0 286.306 2.906 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2c1cccc2F ZINC000492596059 394072590 /nfs/dbraw/zinc/07/25/90/394072590.db2.gz WSHNJMKIKILICN-PLNGDYQASA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](CO)c2ccccc21 ZINC000492807340 394077178 /nfs/dbraw/zinc/07/71/78/394077178.db2.gz MCOPUIFJGRATQY-IDTUSYRASA-N 0 0 294.354 2.526 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C(=O)C=Cc1c[nH]cn1 ZINC000492816141 394077314 /nfs/dbraw/zinc/07/73/14/394077314.db2.gz ZFIGIDHGPBGHIC-YVMONPNESA-N 0 0 297.358 2.801 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCO ZINC000282008473 394108710 /nfs/dbraw/zinc/10/87/10/394108710.db2.gz SLPJPLSLAWCBHY-UHFFFAOYSA-N 0 0 292.404 2.610 20 10 CFCDRN CN1CCc2cc(CNc3cncc(Cl)n3)ccc21 ZINC000364413636 394210281 /nfs/dbraw/zinc/21/02/81/394210281.db2.gz HFOFLIZERQBMAU-UHFFFAOYSA-N 0 0 274.755 2.734 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(C)cn1 ZINC000493365058 394223393 /nfs/dbraw/zinc/22/33/93/394223393.db2.gz HIJWOIGFLRFIII-FNORWQNLSA-N 0 0 273.361 2.831 20 10 CFCDRN CCN(C(=O)/C=C\c1cncs1)c1ccncc1 ZINC000493580423 394282440 /nfs/dbraw/zinc/28/24/40/394282440.db2.gz CGTXGRAWEDFUKS-ARJAWSKDSA-N 0 0 259.334 2.604 20 10 CFCDRN CN1CCc2cc(CNC(=O)CSC(C)(C)C)ccc21 ZINC000372247324 394308498 /nfs/dbraw/zinc/30/84/98/394308498.db2.gz MBEAKHBEQJTTMJ-UHFFFAOYSA-N 0 0 292.448 2.827 20 10 CFCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccnc1 ZINC000171501886 335067577 /nfs/dbraw/zinc/06/75/77/335067577.db2.gz DHXZELIAKNSJJG-BQYQJAHWSA-N 0 0 253.305 2.543 20 10 CFCDRN CCNC(=O)COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164432 395192285 /nfs/dbraw/zinc/19/22/85/395192285.db2.gz VGNLBWQOGNEVBA-UHFFFAOYSA-N 0 0 286.375 2.572 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cnns1 ZINC000296305494 286388862 /nfs/dbraw/zinc/38/88/62/286388862.db2.gz NAYMTWBJIWHCOE-UHFFFAOYSA-N 0 0 275.377 2.890 20 10 CFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)C)CCCC1 ZINC000651061263 413287138 /nfs/dbraw/zinc/28/71/38/413287138.db2.gz QGKDIPSQIRXOMD-UHFFFAOYSA-N 0 0 286.375 2.617 20 10 CFCDRN CCn1ccc(-c2cnc(SC)c(C)c2)cc1=O ZINC001243158270 782020240 /nfs/dbraw/zinc/02/02/40/782020240.db2.gz LFNNVPWNHDQMEV-UHFFFAOYSA-N 0 0 260.362 2.961 20 10 CFCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)CCC2 ZINC000034936942 171896570 /nfs/dbraw/zinc/89/65/70/171896570.db2.gz WLLBTDDZQNPRRD-UHFFFAOYSA-N 0 0 289.356 2.682 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2scnc2C)cn1 ZINC000492739338 262234161 /nfs/dbraw/zinc/23/41/61/262234161.db2.gz IDHCHPXZERZYRY-ALCCZGGFSA-N 0 0 289.360 2.531 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@]1(c2ccccc2)CCCO1 ZINC000934935331 649858065 /nfs/dbraw/zinc/85/80/65/649858065.db2.gz IGWDMKRAWQXMCV-SFHVURJKSA-N 0 0 297.354 2.714 20 10 CFCDRN O=[N+]([O-])c1ccccc1C=CCN1CCCc2n[nH]cc21 ZINC000356381742 266105368 /nfs/dbraw/zinc/10/53/68/266105368.db2.gz ATMNAWTVCAAKRH-UTCJRWHESA-N 0 0 284.319 2.784 20 10 CFCDRN Cc1cccc(CNc2cccc3c2OCC(=O)N3)c1O ZINC000367958603 267130259 /nfs/dbraw/zinc/13/02/59/267130259.db2.gz DVNZVKJDJUQMDB-UHFFFAOYSA-N 0 0 284.315 2.644 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CC2)CC1 ZINC000368021778 267136464 /nfs/dbraw/zinc/13/64/64/267136464.db2.gz SSAQHTSHAYZJHV-DUXPYHPUSA-N 0 0 273.332 2.514 20 10 CFCDRN CC[C@H](Nc1cnccc1-n1ccnn1)c1ccccc1O ZINC000368035471 267138886 /nfs/dbraw/zinc/13/88/86/267138886.db2.gz GEENMOYSXZBUGM-ZDUSSCGKSA-N 0 0 295.346 2.931 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCC[C@H]21 ZINC000370492277 267322807 /nfs/dbraw/zinc/32/28/07/267322807.db2.gz PUGHLASQWUYGIS-CMPLNLGQSA-N 0 0 261.321 2.503 20 10 CFCDRN C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372446398 267566554 /nfs/dbraw/zinc/56/65/54/267566554.db2.gz LJSWYAYDTSPBOS-ZDUSSCGKSA-N 0 0 287.407 2.620 20 10 CFCDRN CC1(C)CC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000827714767 782041550 /nfs/dbraw/zinc/04/15/50/782041550.db2.gz XYCMFKGLDLTOGY-JTQLQIEISA-N 0 0 263.337 2.540 20 10 CFCDRN COc1ccc(N2CCCN(c3ncc(C)cn3)CC2)cc1 ZINC000301835880 277908898 /nfs/dbraw/zinc/90/88/98/277908898.db2.gz UTPOZDLGYGVNQT-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN COc1ccc(N2CCN(c3ncc(C)s3)CC2)cc1 ZINC000302860973 277909300 /nfs/dbraw/zinc/90/93/00/277909300.db2.gz UWXPMLHZJBCBHW-UHFFFAOYSA-N 0 0 289.404 2.787 20 10 CFCDRN CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1cccc(Cl)c1[O-] ZINC000287783611 288035842 /nfs/dbraw/zinc/03/58/42/288035842.db2.gz SHQDYUMVWQPMFN-LBPRGKRZSA-N 0 0 298.770 2.537 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(F)cc1[O-] ZINC000273496055 278383832 /nfs/dbraw/zinc/38/38/32/278383832.db2.gz PBLFQZZTJISEJK-RNCFNFMXSA-N 0 0 275.327 2.983 20 10 CFCDRN CC[C@H]([NH2+]CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000286867690 288042171 /nfs/dbraw/zinc/04/21/71/288042171.db2.gz HCAHMAVFSMYHJQ-JTQLQIEISA-N 0 0 264.152 2.732 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1[O-] ZINC000368098930 288072644 /nfs/dbraw/zinc/07/26/44/288072644.db2.gz DAWCDNUWLARPFE-YPMHNXCESA-N 0 0 289.354 2.853 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000287338087 280979190 /nfs/dbraw/zinc/97/91/90/280979190.db2.gz GFHWXZKQYFQKSR-UBHSHLNASA-N 0 0 267.344 2.731 20 10 CFCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1c(F)cccc1F ZINC000493145938 281280431 /nfs/dbraw/zinc/28/04/31/281280431.db2.gz BXPOXXHGLHMIIM-VOTSOKGWSA-N 0 0 276.286 2.980 20 10 CFCDRN Cc1csc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000273432161 293032248 /nfs/dbraw/zinc/03/22/48/293032248.db2.gz VWJYVFPOOAMMGK-SECBINFHSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cncs2)c2ccccc2O1 ZINC000493162272 300093677 /nfs/dbraw/zinc/09/36/77/300093677.db2.gz STBNVUJBVMMEBA-ZADCQDASSA-N 0 0 286.356 2.970 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C(C)(C)C2)c(O)c1O ZINC000274287238 301514100 /nfs/dbraw/zinc/51/41/00/301514100.db2.gz ZZANWUNYUOPJTM-LLVKDONJSA-N 0 0 277.364 2.914 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(CC(C)C)c2)n1 ZINC001240876246 782090815 /nfs/dbraw/zinc/09/08/15/782090815.db2.gz QCWJPYBUZMMJPZ-UHFFFAOYSA-N 0 0 269.352 2.796 20 10 CFCDRN c1[nH]c2ncccc2c1C1=CCN(c2cccnn2)CC1 ZINC000557476561 327008038 /nfs/dbraw/zinc/00/80/38/327008038.db2.gz BTQBFFWQQAWFOD-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2c1cc(F)cc2F ZINC000255918882 327029507 /nfs/dbraw/zinc/02/95/07/327029507.db2.gz CEUZAMDEHPQDDR-ARJAWSKDSA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1O ZINC000375073970 329000136 /nfs/dbraw/zinc/00/01/36/329000136.db2.gz IVIJCRQZBJTVCH-UHFFFAOYSA-N 0 0 287.334 2.543 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491059554 332143832 /nfs/dbraw/zinc/14/38/32/332143832.db2.gz CJBPXUJDRFDJTA-UTCJRWHESA-N 0 0 295.298 2.592 20 10 CFCDRN O=C(/C=C/c1cnccn1)N(CC(F)F)c1ccccc1 ZINC000492042008 332380214 /nfs/dbraw/zinc/38/02/14/332380214.db2.gz DUSGVCGOPUIPLD-VOTSOKGWSA-N 0 0 289.285 2.788 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccccc1F ZINC000492247298 332389048 /nfs/dbraw/zinc/38/90/48/332389048.db2.gz GSFNNGBTPLEMLJ-KTKRTIGZSA-N 0 0 287.338 2.934 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)cn1 ZINC000492393524 332395471 /nfs/dbraw/zinc/39/54/71/332395471.db2.gz QLBSKIBYJFCLMN-CMDGGOBGSA-N 0 0 264.328 2.993 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2ncccc21 ZINC000492415642 332396424 /nfs/dbraw/zinc/39/64/24/332396424.db2.gz LBLHEUYSXZWCRL-URWSZGRFSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCOc3nc(C)ccc32)cn1 ZINC000492471891 332399054 /nfs/dbraw/zinc/39/90/54/332399054.db2.gz KJYNUNGTCPEXGB-SOFGYWHQSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)cn1 ZINC000492853775 332416167 /nfs/dbraw/zinc/41/61/67/332416167.db2.gz OTCQWGHJEVFXHN-HVHJFMEUSA-N 0 0 294.354 2.526 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C/c1cccnc1)CC2 ZINC000193333357 333247923 /nfs/dbraw/zinc/24/79/23/333247923.db2.gz GFJTZVJOIMQUEC-BQYQJAHWSA-N 0 0 264.328 2.993 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528827020 333460690 /nfs/dbraw/zinc/46/06/90/333460690.db2.gz QLZXRLUZKMNWNE-CYBMUJFWSA-N 0 0 291.391 2.944 20 10 CFCDRN CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc(F)cc1 ZINC000541398994 333775834 /nfs/dbraw/zinc/77/58/34/333775834.db2.gz ZSBFQNCKOFGPJJ-UHFFFAOYSA-N 0 0 296.305 2.887 20 10 CFCDRN CC(C)(C)c1cnc(SCC(=O)N2CCC2)s1 ZINC000268297807 519075175 /nfs/dbraw/zinc/07/51/75/519075175.db2.gz GDVVWMPWVOEBKS-UHFFFAOYSA-N 0 0 270.423 2.765 20 10 CFCDRN CCC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236788709 521204494 /nfs/dbraw/zinc/20/44/94/521204494.db2.gz LJYBWAJHGPJDCU-AWEZNQCLSA-N 0 0 260.381 2.850 20 10 CFCDRN CCCN(CC(C)C)C(=O)c1cccc(O)c1O ZINC000279554290 521583245 /nfs/dbraw/zinc/58/32/45/521583245.db2.gz MYARHSYBVSKCBO-UHFFFAOYSA-N 0 0 251.326 2.606 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000218350075 518278225 /nfs/dbraw/zinc/27/82/25/518278225.db2.gz VFBAMTPUIHBTBJ-VHSXEESVSA-N 0 0 297.782 2.857 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000162862942 518279289 /nfs/dbraw/zinc/27/92/89/518279289.db2.gz TUWBGIKKTOUZIP-MWLCHTKSSA-N 0 0 297.782 2.763 20 10 CFCDRN C/C=C(/C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156346320 518477555 /nfs/dbraw/zinc/47/75/55/518477555.db2.gz CMJMDEKOOVWNNU-JYOAFUTRSA-N 0 0 259.349 2.853 20 10 CFCDRN C/C=C(/CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000191007654 518480089 /nfs/dbraw/zinc/48/00/89/518480089.db2.gz AZAHDLZIEFZIMA-OQTVPUDGSA-N 0 0 263.337 2.501 20 10 CFCDRN CC(C)(C)SCC(=O)NCc1ccccc1O ZINC000072051907 518905103 /nfs/dbraw/zinc/90/51/03/518905103.db2.gz GRUGRJBCIQXGSM-UHFFFAOYSA-N 0 0 253.367 2.540 20 10 CFCDRN CC(C)(C)c1cnc(S[C@@H]2CCOC2=O)s1 ZINC000164381670 519078680 /nfs/dbraw/zinc/07/86/80/519078680.db2.gz OWHRIGQHNXCJAT-SSDOTTSWSA-N 0 0 257.380 2.848 20 10 CFCDRN CC(C)(C)c1nc(C(=O)NCc2ccc(N)cc2)cs1 ZINC000297259067 519092850 /nfs/dbraw/zinc/09/28/50/519092850.db2.gz RKDSYUKACHSSMK-UHFFFAOYSA-N 0 0 289.404 2.953 20 10 CFCDRN CC(C)(C)n1ncnc1CSc1nccs1 ZINC000282114420 519180093 /nfs/dbraw/zinc/18/00/93/519180093.db2.gz AOSNOPMIMRKYSW-UHFFFAOYSA-N 0 0 254.384 2.782 20 10 CFCDRN CC(C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000098076271 519454246 /nfs/dbraw/zinc/45/42/46/519454246.db2.gz NCPNWEIDMNDOPZ-CQSZACIVSA-N 0 0 277.364 2.556 20 10 CFCDRN CC(C)C(C)(C)CNC(=O)NCc1ccccc1O ZINC000275398195 519542976 /nfs/dbraw/zinc/54/29/76/519542976.db2.gz DOFBTEMVNCXLPW-UHFFFAOYSA-N 0 0 264.369 2.874 20 10 CFCDRN CC(C)C1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000297247669 519554040 /nfs/dbraw/zinc/55/40/40/519554040.db2.gz OFSAFYNKZVORET-UHFFFAOYSA-N 0 0 293.386 2.880 20 10 CFCDRN CC(C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173206010 519582358 /nfs/dbraw/zinc/58/23/58/519582358.db2.gz IWLQXADFIXOYNM-UHFFFAOYSA-N 0 0 262.353 2.524 20 10 CFCDRN CC(C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000158713512 519629527 /nfs/dbraw/zinc/62/95/27/519629527.db2.gz QJKIHINBEPPTRW-UHFFFAOYSA-N 0 0 258.705 2.794 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2csnn2)cc1 ZINC000192037071 519780380 /nfs/dbraw/zinc/78/03/80/519780380.db2.gz IKBKISNWQDTVSC-UHFFFAOYSA-N 0 0 263.366 2.962 20 10 CFCDRN CC(C)SCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000287494982 519787588 /nfs/dbraw/zinc/78/75/88/519787588.db2.gz VOMKUDZXVYZREP-UHFFFAOYSA-N 0 0 295.452 2.693 20 10 CFCDRN CC(C)n1cccc1C(=O)NCc1ccccc1O ZINC000161403571 520014457 /nfs/dbraw/zinc/01/44/57/520014457.db2.gz MEKPKMPISVOCTC-UHFFFAOYSA-N 0 0 258.321 2.705 20 10 CFCDRN CCOCc1nc([C@@H](C)N[C@@H](C)c2ccccc2O)no1 ZINC000290020800 520219864 /nfs/dbraw/zinc/21/98/64/520219864.db2.gz CGRXUADNORXDCD-WDEREUQCSA-N 0 0 291.351 2.724 20 10 CFCDRN CC1(C)CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182526491 520292805 /nfs/dbraw/zinc/29/28/05/520292805.db2.gz YJMSLMZJYRWNSZ-UHFFFAOYSA-N 0 0 277.364 2.930 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(C)cn1 ZINC000282587744 520547642 /nfs/dbraw/zinc/54/76/42/520547642.db2.gz WQZIYCOSZHZDLL-UHFFFAOYSA-N 0 0 287.363 2.568 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1nonc1C ZINC000282477017 520548947 /nfs/dbraw/zinc/54/89/47/520548947.db2.gz LFRIUUTZRVKATB-UHFFFAOYSA-N 0 0 289.335 2.526 20 10 CFCDRN CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])COC1 ZINC000083523115 520732448 /nfs/dbraw/zinc/73/24/48/520732448.db2.gz JHHDRIQRNHZNTI-UHFFFAOYSA-N 0 0 276.163 2.825 20 10 CFCDRN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279977806 520860263 /nfs/dbraw/zinc/86/02/63/520860263.db2.gz DKNWNQGFMTWSDP-VXGBXAGGSA-N 0 0 295.383 2.681 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC2)cc1F ZINC000066906929 520897141 /nfs/dbraw/zinc/89/71/41/520897141.db2.gz JWLNEAKGEHEHCK-UHFFFAOYSA-N 0 0 293.386 2.977 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Cc2cccnc2)cc1 ZINC000264637196 520897450 /nfs/dbraw/zinc/89/74/50/520897450.db2.gz LOCWXYGCWBWRFM-UHFFFAOYSA-N 0 0 297.402 2.787 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)cc1F ZINC000277009317 520908344 /nfs/dbraw/zinc/90/83/44/520908344.db2.gz MLFJHLGHEHOVLR-OAHLLOKOSA-N 0 0 296.386 2.871 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc3ncccn3n2)cc1 ZINC000191142045 520910904 /nfs/dbraw/zinc/91/09/04/520910904.db2.gz CYDZZUYNICLBJA-UHFFFAOYSA-N 0 0 296.378 2.583 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc(C)n(C)n2)cc1 ZINC000291829898 520911811 /nfs/dbraw/zinc/91/18/11/520911811.db2.gz CZXBKVIEZAAJCG-UHFFFAOYSA-N 0 0 273.384 2.582 20 10 CFCDRN CCCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000048904981 520937694 /nfs/dbraw/zinc/93/76/94/520937694.db2.gz GDGMAIJUJOCJOL-UHFFFAOYSA-N 0 0 296.436 2.506 20 10 CFCDRN CCOc1ccc(O)c(CN(CCO)c2ccccc2)c1 ZINC000191971471 521142990 /nfs/dbraw/zinc/14/29/90/521142990.db2.gz FAINERINMDNANY-UHFFFAOYSA-N 0 0 287.359 2.790 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H](C)OC ZINC000272849808 521318397 /nfs/dbraw/zinc/31/83/97/521318397.db2.gz QAMZJRUVMYZIBM-CQSZACIVSA-N 0 0 292.423 2.916 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC(C)C ZINC000263743507 521319499 /nfs/dbraw/zinc/31/94/99/521319499.db2.gz VPEBARJGXYKTEV-UHFFFAOYSA-N 0 0 298.452 2.560 20 10 CFCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)OC ZINC000291135721 521342914 /nfs/dbraw/zinc/34/29/14/521342914.db2.gz XASREMQFTPXYAV-SNVBAGLBSA-N 0 0 257.761 2.902 20 10 CFCDRN CCOc1cccc(CNc2ccc(N(C)C)nc2)c1O ZINC000036989032 521378782 /nfs/dbraw/zinc/37/87/82/521378782.db2.gz ZLTQELAOCTZUCY-UHFFFAOYSA-N 0 0 287.363 2.864 20 10 CFCDRN CCOC(=O)c1cnccc1N(C)Cc1ccccc1O ZINC000280675173 521577385 /nfs/dbraw/zinc/57/73/85/521577385.db2.gz HVBLUTNAYVUZAC-UHFFFAOYSA-N 0 0 286.331 2.600 20 10 CFCDRN CCCn1c(C)nnc1CN(C)c1ccc(OC)c(F)c1 ZINC000161223946 521622497 /nfs/dbraw/zinc/62/24/97/521622497.db2.gz JGNUXDLYASKSMX-UHFFFAOYSA-N 0 0 292.358 2.781 20 10 CFCDRN CCCn1c(C)nnc1CSc1nccs1 ZINC000119320216 521628078 /nfs/dbraw/zinc/62/80/78/521628078.db2.gz JKRSCUIJSWPFLO-UHFFFAOYSA-N 0 0 254.384 2.745 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C(C)(F)F ZINC000293456617 521687433 /nfs/dbraw/zinc/68/74/33/521687433.db2.gz SKDNOOOIYOWBPZ-UHFFFAOYSA-N 0 0 257.280 2.786 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCSC ZINC000066096544 521687836 /nfs/dbraw/zinc/68/78/36/521687836.db2.gz RSCNHDPOBLJLQY-UHFFFAOYSA-N 0 0 267.394 2.884 20 10 CFCDRN CCC1(CC)[C@@H](NC(=O)Cc2ccc(N)cc2)C[C@@H]1OC ZINC000236633098 521692853 /nfs/dbraw/zinc/69/28/53/521692853.db2.gz KQDDAPMLXSIXPG-GJZGRUSLSA-N 0 0 290.407 2.521 20 10 CFCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236633127 521700358 /nfs/dbraw/zinc/70/03/58/521700358.db2.gz KQDDAPMLXSIXPG-LSDHHAIUSA-N 0 0 290.407 2.521 20 10 CFCDRN CCC1(CNC(=O)Cc2ccc(N)cc2)CCCC1 ZINC000226376224 521704562 /nfs/dbraw/zinc/70/45/62/521704562.db2.gz KRPRPECNQGXOKI-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN CCS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236885240 521724694 /nfs/dbraw/zinc/72/46/94/521724694.db2.gz JUUFEZKUVUNJCB-HUUCEWRRSA-N 0 0 292.448 2.992 20 10 CFCDRN CCS[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000226382140 521725354 /nfs/dbraw/zinc/72/53/54/521725354.db2.gz CMTVHSABFNPFOO-UONOGXRCSA-N 0 0 278.421 2.602 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278261270 521870768 /nfs/dbraw/zinc/87/07/68/521870768.db2.gz QMNGJDFEDMZAAD-UHFFFAOYSA-N 0 0 292.335 2.685 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278236327 521873410 /nfs/dbraw/zinc/87/34/10/521873410.db2.gz NKCVXSGCJUHCOV-VHSXEESVSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278238716 521875908 /nfs/dbraw/zinc/87/59/08/521875908.db2.gz NQGQPIXHCOXPFK-MNOVXSKESA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278884609 521878808 /nfs/dbraw/zinc/87/88/08/521878808.db2.gz OPBMVFNIVUIUKF-CMPLNLGQSA-N 0 0 294.351 2.977 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCSC2)c1 ZINC000279879655 522137310 /nfs/dbraw/zinc/13/73/10/522137310.db2.gz GBFDCNSDGJRFQA-GHMZBOCLSA-N 0 0 295.404 2.583 20 10 CFCDRN CN(C)c1ccc(CN(Cc2c[nH]cn2)C2CC2)cc1 ZINC000280525037 522173190 /nfs/dbraw/zinc/17/31/90/522173190.db2.gz RLHSBRIAWGGPSA-UHFFFAOYSA-N 0 0 270.380 2.640 20 10 CFCDRN CCc1nc(C)c(C(=O)N(C)Cc2ccccc2O)o1 ZINC000293479201 522184564 /nfs/dbraw/zinc/18/45/64/522184564.db2.gz UTMJTTPSYIGZHZ-UHFFFAOYSA-N 0 0 274.320 2.523 20 10 CFCDRN CN(C)c1ccc(CNCC(F)(F)F)cc1F ZINC000276466161 522205314 /nfs/dbraw/zinc/20/53/14/522205314.db2.gz MCNCIKYTYLPQLD-UHFFFAOYSA-N 0 0 250.239 2.544 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCC1 ZINC000173194311 522252673 /nfs/dbraw/zinc/25/26/73/522252673.db2.gz WJHDHSBGJPIRHL-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000262602054 522313237 /nfs/dbraw/zinc/31/32/37/522313237.db2.gz DCDBYUYKXKENMX-QGZVFWFLSA-N 0 0 282.387 2.949 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073870304 522355896 /nfs/dbraw/zinc/35/58/96/522355896.db2.gz JSJQWOJMKYUUEG-MNOVXSKESA-N 0 0 280.368 2.635 20 10 CFCDRN COc1cc(N(C)Cc2cscn2)cc(OC)c1OC ZINC000131067280 522622509 /nfs/dbraw/zinc/62/25/09/522622509.db2.gz MYXUKUDCGPIOCO-UHFFFAOYSA-N 0 0 294.376 2.805 20 10 CFCDRN CN(CC1CCCCC1)C(=O)Cc1ccc(N)cc1 ZINC000037818840 522653713 /nfs/dbraw/zinc/65/37/13/522653713.db2.gz IIJIVAIRUYBUDN-UHFFFAOYSA-N 0 0 260.381 2.850 20 10 CFCDRN CCc1nn(C)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000271444010 522702725 /nfs/dbraw/zinc/70/27/25/522702725.db2.gz QOFFMEDHASZQQY-UHFFFAOYSA-N 0 0 276.359 2.800 20 10 CFCDRN CCc1nnc(CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000273020498 522738869 /nfs/dbraw/zinc/73/88/69/522738869.db2.gz BVUSYBKUSPMQOD-VIFPVBQESA-N 0 0 293.392 2.666 20 10 CFCDRN COC[C@H](NCc1ccc2c(c1)CCO2)c1ccco1 ZINC000080239100 522750531 /nfs/dbraw/zinc/75/05/31/522750531.db2.gz FASLHXPGBXKQRW-AWEZNQCLSA-N 0 0 273.332 2.692 20 10 CFCDRN CC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000292335068 522817500 /nfs/dbraw/zinc/81/75/00/522817500.db2.gz KCAJJBDOBRQANO-HNNXBMFYSA-N 0 0 286.375 2.595 20 10 CFCDRN CC[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000299386488 522836479 /nfs/dbraw/zinc/83/64/79/522836479.db2.gz ZJSCFWNFHFGQFO-HNNXBMFYSA-N 0 0 278.396 2.574 20 10 CFCDRN COCC1(CSc2ncc(C(=O)OC)s2)CCC1 ZINC000295407532 522906896 /nfs/dbraw/zinc/90/68/96/522906896.db2.gz XAHOHKOTZMZVPX-UHFFFAOYSA-N 0 0 287.406 2.839 20 10 CFCDRN CCc1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000184146702 522969016 /nfs/dbraw/zinc/96/90/16/522969016.db2.gz MIZMUKJJUWFGMM-MRVPVSSYSA-N 0 0 279.365 2.555 20 10 CFCDRN CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037027248 523036817 /nfs/dbraw/zinc/03/68/17/523036817.db2.gz MNKFGGQVVRCXIX-ZFWWWQNUSA-N 0 0 260.381 2.896 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C(C1CC1)C1CC1 ZINC000134202642 523379304 /nfs/dbraw/zinc/37/93/04/523379304.db2.gz HLLVJQDSWJKHNP-UHFFFAOYSA-N 0 0 259.349 2.787 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCS1 ZINC000272979901 523382162 /nfs/dbraw/zinc/38/21/62/523382162.db2.gz UKXXARPCVSJAPW-ZDUSSCGKSA-N 0 0 265.378 2.636 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2cccnc21 ZINC000192757285 523385638 /nfs/dbraw/zinc/38/56/38/523385638.db2.gz PWSQLXYLCLKDMC-HNNXBMFYSA-N 0 0 296.370 2.866 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@H](C)[S@@]1=O ZINC000289565027 523447998 /nfs/dbraw/zinc/44/79/98/523447998.db2.gz JEOSECFWKBMGMO-XBHMSOGKSA-N 0 0 295.448 2.740 20 10 CFCDRN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295285 523614502 /nfs/dbraw/zinc/61/45/02/523614502.db2.gz CCSQPAWMYRSVGZ-CMPLNLGQSA-N 0 0 294.351 2.929 20 10 CFCDRN CO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298806258 523837333 /nfs/dbraw/zinc/83/73/33/523837333.db2.gz ICRPFVGASOFFPE-CYBMUJFWSA-N 0 0 278.396 2.525 20 10 CFCDRN COC(=O)[C@H](C)[N@H+](Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000191645511 523878182 /nfs/dbraw/zinc/87/81/82/523878182.db2.gz NMUUMHWBOIXTBX-JTQLQIEISA-N 0 0 297.782 2.962 20 10 CFCDRN CN1CC[C@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000164225786 523990844 /nfs/dbraw/zinc/99/08/44/523990844.db2.gz NDCFFYDSGPGDQK-QMMMGPOBSA-N 0 0 270.423 2.763 20 10 CFCDRN C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181040315 524183464 /nfs/dbraw/zinc/18/34/64/524183464.db2.gz OXYBIHZPAJYUDR-JONLBCGYSA-N 0 0 275.348 2.901 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCO)cc1 ZINC000194983506 524217737 /nfs/dbraw/zinc/21/77/37/524217737.db2.gz HCIFDAZVIDXQPZ-UHFFFAOYSA-N 0 0 286.375 2.596 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265996521 524252107 /nfs/dbraw/zinc/25/21/07/524252107.db2.gz ZWUPBGDOSLZCCO-AWEZNQCLSA-N 0 0 285.391 2.614 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)CC(F)(F)F)cc1F ZINC000189545504 524352676 /nfs/dbraw/zinc/35/26/76/524352676.db2.gz SPTIRCBYLMQDPG-SECBINFHSA-N 0 0 281.249 2.584 20 10 CFCDRN COc1ccc(N(C)Cc2nonc2C)cc1Cl ZINC000268220999 524354938 /nfs/dbraw/zinc/35/49/38/524354938.db2.gz WGBHIRCDCKDZOR-UHFFFAOYSA-N 0 0 267.716 2.676 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)C)cc1F ZINC000279843020 524355152 /nfs/dbraw/zinc/35/51/52/524355152.db2.gz AMOWKOHZZSYBBU-UHFFFAOYSA-N 0 0 278.331 2.643 20 10 CFCDRN COc1ccc(N(C)Cc2nc([C@@H](C)OC)no2)cc1F ZINC000121717664 524355431 /nfs/dbraw/zinc/35/54/31/524355431.db2.gz MZQCFSIKBXVDKY-SECBINFHSA-N 0 0 295.314 2.561 20 10 CFCDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(N(C)C)cc1 ZINC000277956322 524357354 /nfs/dbraw/zinc/35/73/54/524357354.db2.gz WKGXSJVQEMVUAL-OKILXGFUSA-N 0 0 290.407 2.921 20 10 CFCDRN COc1ccc(N(CCCO)Cc2ccco2)cc1F ZINC000265742056 524367355 /nfs/dbraw/zinc/36/73/55/524367355.db2.gz CFJXXPBFUFUXFO-UHFFFAOYSA-N 0 0 279.311 2.816 20 10 CFCDRN C[C@H]1CC[C@H](CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122314779 524400884 /nfs/dbraw/zinc/40/08/84/524400884.db2.gz ARZGBVXSNXPZCL-AAEUAGOBSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)C(C)C)CC2)cc1 ZINC000171881882 524417279 /nfs/dbraw/zinc/41/72/79/524417279.db2.gz LLXFJNGKNIFJRO-CQSZACIVSA-N 0 0 290.407 2.636 20 10 CFCDRN Cc1cc(C)nc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000299052859 524589171 /nfs/dbraw/zinc/58/91/71/524589171.db2.gz HSOLRQLRIFAWOC-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN COc1ccc(O)c(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000180760136 524732289 /nfs/dbraw/zinc/73/22/89/524732289.db2.gz FMSLKYVVTXIRIZ-UHFFFAOYSA-N 0 0 287.315 2.766 20 10 CFCDRN Cc1cc(CNCc2c(O)cccc2Cl)on1 ZINC000083552451 524759522 /nfs/dbraw/zinc/75/95/22/524759522.db2.gz ITRCAYRMUFHZSK-UHFFFAOYSA-N 0 0 252.701 2.632 20 10 CFCDRN C[C@H]1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000273088670 524777526 /nfs/dbraw/zinc/77/75/26/524777526.db2.gz SERYRZOGUQGNDZ-RYUDHWBXSA-N 0 0 294.351 2.595 20 10 CFCDRN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289972911 525138260 /nfs/dbraw/zinc/13/82/60/525138260.db2.gz ZMUAEYBAUMSUBD-MNOVXSKESA-N 0 0 269.772 2.808 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000298640914 525152500 /nfs/dbraw/zinc/15/25/00/525152500.db2.gz IJCTVTVMBHWTMQ-GFCCVEGCSA-N 0 0 285.347 2.690 20 10 CFCDRN Cc1ccccc1NCCC(=O)NCCc1ccc(N)cc1 ZINC000269149370 525268537 /nfs/dbraw/zinc/26/85/37/525268537.db2.gz NCQYMLPZMUWXGB-UHFFFAOYSA-N 0 0 297.402 2.738 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000301284653 525280551 /nfs/dbraw/zinc/28/05/51/525280551.db2.gz LKHDCHXRAAOSCI-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273558627 525412772 /nfs/dbraw/zinc/41/27/72/525412772.db2.gz HOXYNCUDRHIBSR-WDMOLILDSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@H](NCc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000158040536 525427778 /nfs/dbraw/zinc/42/77/78/525427778.db2.gz LEQZPKGFDCURIG-VIFPVBQESA-N 0 0 285.771 2.865 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748404 525497804 /nfs/dbraw/zinc/49/78/04/525497804.db2.gz MHJBMRYLLQLMTF-LLVKDONJSA-N 0 0 277.343 2.846 20 10 CFCDRN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1[O-] ZINC000273554481 525509336 /nfs/dbraw/zinc/50/93/36/525509336.db2.gz GOWZWLAEUFTVJP-IAQYHMDHSA-N 0 0 298.427 2.619 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cc(F)ncc1F ZINC000291382884 525530255 /nfs/dbraw/zinc/53/02/55/525530255.db2.gz BICWYBNZSLFMPH-UHFFFAOYSA-N 0 0 276.286 2.931 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1cnn(C)c1 ZINC000276883677 525530764 /nfs/dbraw/zinc/53/07/64/525530764.db2.gz GLAHPHFDXODQHI-IUCAKERBSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274747319 525541427 /nfs/dbraw/zinc/54/14/27/525541427.db2.gz GTHGXZKEWNOELN-HZMBPMFUSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274747322 525593624 /nfs/dbraw/zinc/59/36/24/525593624.db2.gz GTHGXZKEWNOELN-IINYFYTJSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1[O-] ZINC000219062365 525619392 /nfs/dbraw/zinc/61/93/92/525619392.db2.gz YOOGRSSQQCBWEX-CQDKDKBSSA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881351 525621093 /nfs/dbraw/zinc/62/10/93/525621093.db2.gz GDBRDPLWDDEMNB-LEWSCRJBSA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000178617124 525649892 /nfs/dbraw/zinc/64/98/92/525649892.db2.gz KNNOCSDZHRHLJN-NWDGAFQWSA-N 0 0 293.386 2.832 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000273611010 525660569 /nfs/dbraw/zinc/66/05/69/525660569.db2.gz VVGYAQHCEYXGHN-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(F)cc1[O-] ZINC000281228607 525666870 /nfs/dbraw/zinc/66/68/70/525666870.db2.gz UOTQNIXMLRZRAB-MFKMUULPSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000237607113 525731755 /nfs/dbraw/zinc/73/17/55/525731755.db2.gz JNSYRJIYYOSGLV-MEBBXXQBSA-N 0 0 268.316 2.772 20 10 CFCDRN Cc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])cc1 ZINC000277087022 525775933 /nfs/dbraw/zinc/77/59/33/525775933.db2.gz XEFKTTJCUJWDFX-QGZVFWFLSA-N 0 0 298.386 2.977 20 10 CFCDRN C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192588325 525782187 /nfs/dbraw/zinc/78/21/87/525782187.db2.gz BBMXCJLUDLLPHA-BQBZGAKWSA-N 0 0 264.152 2.730 20 10 CFCDRN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000062747618 525901328 /nfs/dbraw/zinc/90/13/28/525901328.db2.gz IJOYCFFOAMLDJD-VHSXEESVSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@H](OCc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000077258397 525919423 /nfs/dbraw/zinc/91/94/23/525919423.db2.gz XAVOKMXSOZXEOR-AWEZNQCLSA-N 0 0 299.370 2.956 20 10 CFCDRN COc1cccc(CNC(=O)C(C)(C)C(C)C)c1O ZINC000275964990 525963674 /nfs/dbraw/zinc/96/36/74/525963674.db2.gz IABWCNXEYFRYNA-UHFFFAOYSA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])cc1 ZINC000277087018 525968982 /nfs/dbraw/zinc/96/89/82/525968982.db2.gz XEFKTTJCUJWDFX-KRWDZBQOSA-N 0 0 298.386 2.977 20 10 CFCDRN COc1cccc(CNc2sccc2[N+](=O)[O-])c1O ZINC000301986061 526047386 /nfs/dbraw/zinc/04/73/86/526047386.db2.gz JWIWNUWWCXIJJL-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN Cc1cncc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000079811189 526183297 /nfs/dbraw/zinc/18/32/97/526183297.db2.gz ALKBXGYKTJXAAN-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Cc1csc(C(C)(C)NC(=O)Cc2ccc(N)cc2)n1 ZINC000237803536 526320273 /nfs/dbraw/zinc/32/02/73/526320273.db2.gz IQBPQFXWZHSECJ-UHFFFAOYSA-N 0 0 289.404 2.628 20 10 CFCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC000291327307 526352956 /nfs/dbraw/zinc/35/29/56/526352956.db2.gz FDVKGCIUIBAMAB-UHFFFAOYSA-N 0 0 274.368 2.585 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccccn1 ZINC000075504072 526636161 /nfs/dbraw/zinc/63/61/61/526636161.db2.gz ALAXYNBDUNVFEU-UHFFFAOYSA-N 0 0 297.358 2.988 20 10 CFCDRN O=C(NCc1ccccc1O)NC1CCC2(CC2)CC1 ZINC000277679699 526753819 /nfs/dbraw/zinc/75/38/19/526753819.db2.gz FMIMFGMGFDWHKI-UHFFFAOYSA-N 0 0 274.364 2.914 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000266554385 526755306 /nfs/dbraw/zinc/75/53/06/526755306.db2.gz MVLDUEZGIFGNBX-LPHOPBHVSA-N 0 0 293.366 2.913 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCc2cccnc21 ZINC000277534688 526755526 /nfs/dbraw/zinc/75/55/26/526755526.db2.gz AGCHTOBNYDTYBN-AWEZNQCLSA-N 0 0 282.343 2.524 20 10 CFCDRN Cc1nc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000268435909 526999118 /nfs/dbraw/zinc/99/91/18/526999118.db2.gz CBESNDRAYMWKEA-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000301367305 527367077 /nfs/dbraw/zinc/36/70/77/527367077.db2.gz RIMXCWMTNGNODJ-UHFFFAOYSA-N 0 0 296.330 2.978 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000295104163 527451217 /nfs/dbraw/zinc/45/12/17/527451217.db2.gz WMLKINXQMQSMGN-VIFPVBQESA-N 0 0 293.317 2.662 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087765617 527475349 /nfs/dbraw/zinc/47/53/49/527475349.db2.gz PFBFYBOHEHKXMR-HIFRSBDPSA-N 0 0 258.365 2.602 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000161063318 527478354 /nfs/dbraw/zinc/47/83/54/527478354.db2.gz JGNJFTYLBUQTQB-HZPDHXFCSA-N 0 0 272.392 2.896 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000263041515 527478627 /nfs/dbraw/zinc/47/86/27/527478627.db2.gz DRJCWCNHCBNELG-QGZVFWFLSA-N 0 0 295.386 2.587 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000237923942 527478670 /nfs/dbraw/zinc/47/86/70/527478670.db2.gz XRFDRQYXAMOPRD-UHFFFAOYSA-N 0 0 292.342 2.840 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(C1)CCCC2 ZINC000366686548 527611949 /nfs/dbraw/zinc/61/19/49/527611949.db2.gz MQEJQOCJBNDQPM-GQCTYLIASA-N 0 0 273.332 2.514 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1cnc2ccccc2n1 ZINC000493121765 535939555 /nfs/dbraw/zinc/93/95/55/535939555.db2.gz AOFMFMDQFVPHRY-SREVYHEPSA-N 0 0 296.355 2.763 20 10 CFCDRN Cc1ncc(-c2ccn(Cc3cccnc3)c(=O)c2)s1 ZINC001243380759 782171977 /nfs/dbraw/zinc/17/19/77/782171977.db2.gz FOXRXCQRELGXTC-UHFFFAOYSA-N 0 0 283.356 2.724 20 10 CFCDRN Cc1ccc(CC(=O)NCCCSc2nccs2)o1 ZINC000754023537 574064368 /nfs/dbraw/zinc/06/43/68/574064368.db2.gz CMJHKCTUZCNOMI-UHFFFAOYSA-N 0 0 296.417 2.886 20 10 CFCDRN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000753574363 574064563 /nfs/dbraw/zinc/06/45/63/574064563.db2.gz CXDQJZWVLNWXCY-SDBXPKJASA-N 0 0 273.735 2.842 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCSC)c1 ZINC000736675317 574064624 /nfs/dbraw/zinc/06/46/24/574064624.db2.gz ZZMHDMIPPBKRQE-JTQLQIEISA-N 0 0 283.393 2.721 20 10 CFCDRN O=C(NCc1ccccc1O)c1cnc(-c2ccccc2)[nH]1 ZINC000736672797 574065026 /nfs/dbraw/zinc/06/50/26/574065026.db2.gz PIXXSOHENDVMMY-UHFFFAOYSA-N 0 0 293.326 2.712 20 10 CFCDRN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)Cc1ccccc1O ZINC000736715161 574067956 /nfs/dbraw/zinc/06/79/56/574067956.db2.gz OBPNRNOTGNOEIL-SNVBAGLBSA-N 0 0 275.304 2.876 20 10 CFCDRN COc1cc(N(C)C[C@@H]2C[C@H]2C)cc(OC)c1OC ZINC000754142432 574076785 /nfs/dbraw/zinc/07/67/85/574076785.db2.gz FXOMYLFGFVSUBK-MNOVXSKESA-N 0 0 265.353 2.805 20 10 CFCDRN CC(C)(C)OC1CC(CC(=O)NCc2ccccc2O)C1 ZINC000754210426 574082741 /nfs/dbraw/zinc/08/27/41/574082741.db2.gz ZSKJBXZBGBJXDK-UHFFFAOYSA-N 0 0 291.391 2.992 20 10 CFCDRN CC[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2O1 ZINC000742001681 574089671 /nfs/dbraw/zinc/08/96/71/574089671.db2.gz XNMLDRQAGDYNBT-MYSGNRETSA-N 0 0 297.358 2.638 20 10 CFCDRN Cc1nc(C)c(COC(=O)c2ccc(C)c(O)c2O)s1 ZINC000744910525 574093102 /nfs/dbraw/zinc/09/31/02/574093102.db2.gz QXOPMGFSWCOPAH-UHFFFAOYSA-N 0 0 293.344 2.837 20 10 CFCDRN CCN1C(=O)/C(=C\c2cccnc2C)SC1=S ZINC000728785585 574109583 /nfs/dbraw/zinc/10/95/83/574109583.db2.gz LPXCQFAGFACTHJ-JXMROGBWSA-N 0 0 264.375 2.611 20 10 CFCDRN CCO[C@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1(C)C ZINC000754905147 574127567 /nfs/dbraw/zinc/12/75/67/574127567.db2.gz CWQLMUJSFIQFEY-NEPJUHHUSA-N 0 0 283.393 2.729 20 10 CFCDRN O=C(Nc1nc2ccccc2[nH]1)C1=CC(=O)CS1 ZINC000731861845 574130899 /nfs/dbraw/zinc/13/08/99/574130899.db2.gz QLGROBFTAPMVSY-UHFFFAOYSA-N 0 0 259.290 2.582 20 10 CFCDRN Cc1ccccc1OCCNC(=O)C1=CC(=O)CS1 ZINC000731870281 574131400 /nfs/dbraw/zinc/13/14/00/574131400.db2.gz KQVGVNNFSLGZPP-UHFFFAOYSA-N 0 0 277.345 2.571 20 10 CFCDRN O=C(NCCCOc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731873051 574131896 /nfs/dbraw/zinc/13/18/96/574131896.db2.gz VSILSUHWIZIVCB-UHFFFAOYSA-N 0 0 295.335 2.792 20 10 CFCDRN O=C(NCc1cnn(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC000731866405 574132433 /nfs/dbraw/zinc/13/24/33/574132433.db2.gz HRLKPPQNWYFENA-UHFFFAOYSA-N 0 0 299.355 2.569 20 10 CFCDRN O=C(NCCc1cccc(F)c1)C1=CC(=O)CS1 ZINC000731866595 574132468 /nfs/dbraw/zinc/13/24/68/574132468.db2.gz XCSDDCRAIMFDRX-UHFFFAOYSA-N 0 0 265.309 2.565 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000731898389 574133599 /nfs/dbraw/zinc/13/35/99/574133599.db2.gz KBFGUJZBOPMHLN-SSDOTTSWSA-N 0 0 279.283 2.868 20 10 CFCDRN O=C(OCc1ccc(Cl)nc1)C1=CC(=O)CS1 ZINC000731910660 574133640 /nfs/dbraw/zinc/13/36/40/574133640.db2.gz 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/nfs/dbraw/zinc/14/43/87/574144387.db2.gz ROGZXMWRIRHBJR-UHFFFAOYSA-N 0 0 288.347 2.676 20 10 CFCDRN Cc1nc(NC(=O)C2=CC(=O)CS2)sc1C ZINC000732262522 574147797 /nfs/dbraw/zinc/14/77/97/574147797.db2.gz BOTIZITWYBWJPW-UHFFFAOYSA-N 0 0 254.336 2.779 20 10 CFCDRN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)C1=CC(=O)CS1 ZINC000732278417 574147874 /nfs/dbraw/zinc/14/78/74/574147874.db2.gz MDZAACWCRLSVOE-RYUDHWBXSA-N 0 0 277.320 2.879 20 10 CFCDRN CC(C)[C@@H](C)N(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000746403817 574147946 /nfs/dbraw/zinc/14/79/46/574147946.db2.gz LBSYKFGVXXJKGH-GFCCVEGCSA-N 0 0 260.381 2.847 20 10 CFCDRN Cc1ccc(CNC(=O)C2=CC(=O)CS2)cc1F ZINC000732259190 574148289 /nfs/dbraw/zinc/14/82/89/574148289.db2.gz NXYVIQOJGYSBTF-UHFFFAOYSA-N 0 0 265.309 2.831 20 10 CFCDRN Cc1cc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)no1 ZINC000732268950 574148528 /nfs/dbraw/zinc/14/85/28/574148528.db2.gz UHGAIZMPYLTLRH-NSHDSACASA-N 0 0 278.333 2.727 20 10 CFCDRN CC(=O)Nc1cc(NC(=O)C2=CC(=O)CS2)ccc1C ZINC000732271963 574148868 /nfs/dbraw/zinc/14/88/68/574148868.db2.gz BILKGXNWPTWTMS-UHFFFAOYSA-N 0 0 290.344 2.973 20 10 CFCDRN CCCCc1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732278980 574149840 /nfs/dbraw/zinc/14/98/40/574149840.db2.gz HSHSDYWXLKOWCY-UHFFFAOYSA-N 0 0 265.338 2.772 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)C1=CC(=O)CS1 ZINC000732278786 574149876 /nfs/dbraw/zinc/14/98/76/574149876.db2.gz BQMFAWMMKIGLDE-UHFFFAOYSA-N 0 0 275.329 2.665 20 10 CFCDRN Cc1cccc2c1CCN2C(=O)C1=CC(=O)CS1 ZINC000732279198 574149884 /nfs/dbraw/zinc/14/98/84/574149884.db2.gz KKAPZDAKBSRHBA-UHFFFAOYSA-N 0 0 259.330 2.965 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCC(F)(F)F ZINC000746492232 574151410 /nfs/dbraw/zinc/15/14/10/574151410.db2.gz GGOFOHDYWZELOT-UHFFFAOYSA-N 0 0 274.286 2.904 20 10 CFCDRN CCN(CC(=O)N1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000746664138 574161392 /nfs/dbraw/zinc/16/13/92/574161392.db2.gz XSFMWPDOSGWACB-AWEZNQCLSA-N 0 0 290.407 2.923 20 10 CFCDRN O=C(NC/C=C\c1ccccc1)C1=CC(=O)CS1 ZINC000733000128 574182705 /nfs/dbraw/zinc/18/27/05/574182705.db2.gz NTRUIDPVTCHJPS-DAXSKMNVSA-N 0 0 259.330 2.897 20 10 CFCDRN Cc1cc(F)ccc1CCNC(=O)C1=CC(=O)CS1 ZINC000755860951 574193121 /nfs/dbraw/zinc/19/31/21/574193121.db2.gz ZRJUSKPCXZAPJM-UHFFFAOYSA-N 0 0 279.336 2.874 20 10 CFCDRN Cc1ccc(NC(=O)NCc2ccccc2O)c(C)n1 ZINC000755856112 574193421 /nfs/dbraw/zinc/19/34/21/574193421.db2.gz LJIXHPBOAGJOMC-UHFFFAOYSA-N 0 0 271.320 2.726 20 10 CFCDRN CCCCCNC(=O)CN(CC)c1ccc(OC)cc1 ZINC000747681514 574206485 /nfs/dbraw/zinc/20/64/85/574206485.db2.gz AKHQJQDXFOTJSD-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN COc1cccc(CNC(=S)Nc2ccc(C)cc2)n1 ZINC000748044529 574226731 /nfs/dbraw/zinc/22/67/31/574226731.db2.gz DTUZCERORBWYOH-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2ccco2)c1 ZINC000756370395 574230474 /nfs/dbraw/zinc/23/04/74/574230474.db2.gz GSHLBIONQQYZRD-LLVKDONJSA-N 0 0 289.331 2.665 20 10 CFCDRN C[C@]1(C(=O)[O-])CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756390253 574232739 /nfs/dbraw/zinc/23/27/39/574232739.db2.gz TYVWGCAKIMPLBZ-WBVHZDCISA-N 0 0 289.375 2.745 20 10 CFCDRN C[C@@H]([NH2+]CCc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756394198 574233212 /nfs/dbraw/zinc/23/32/12/574233212.db2.gz CKMBNHZQORNNFG-LLVKDONJSA-N 0 0 287.319 2.589 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccccc1O ZINC000748159286 574233465 /nfs/dbraw/zinc/23/34/65/574233465.db2.gz VHHBEEGPTHNDQG-YPMHNXCESA-N 0 0 278.421 2.935 20 10 CFCDRN COc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000756398075 574233690 /nfs/dbraw/zinc/23/36/90/574233690.db2.gz BKNAFZPQMOISFP-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN Cc1nccn1CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756432598 574236781 /nfs/dbraw/zinc/23/67/81/574236781.db2.gz JRYZWOSUYNKVLA-NSHDSACASA-N 0 0 277.343 2.777 20 10 CFCDRN C[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000756469244 574239417 /nfs/dbraw/zinc/23/94/17/574239417.db2.gz HVDURURXDNJYHL-SSDOTTSWSA-N 0 0 299.239 2.900 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483884 574240712 /nfs/dbraw/zinc/24/07/12/574240712.db2.gz YYJOXTGLJZEAQV-NXEZZACHSA-N 0 0 264.325 2.997 20 10 CFCDRN C[N@H+](CC(=O)[O-])Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739631311 574241317 /nfs/dbraw/zinc/24/13/17/574241317.db2.gz AXAVDNFQSUYUAK-UHFFFAOYSA-N 0 0 289.331 2.534 20 10 CFCDRN COc1ccc(N(C)Cc2nccc(C)n2)cc1F ZINC000756549992 574244170 /nfs/dbraw/zinc/24/41/70/574244170.db2.gz WTGSUCQPPSWCRC-UHFFFAOYSA-N 0 0 261.300 2.569 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756545591 574245650 /nfs/dbraw/zinc/24/56/50/574245650.db2.gz NFNMUFNBJCOUIF-GXSJLCMTSA-N 0 0 282.334 2.558 20 10 CFCDRN Cc1sc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000748346097 574247669 /nfs/dbraw/zinc/24/76/69/574247669.db2.gz MPEYLNYPGRBPQS-UHFFFAOYSA-N 0 0 292.316 2.600 20 10 CFCDRN C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccccc1O ZINC000748347140 574247885 /nfs/dbraw/zinc/24/78/85/574247885.db2.gz XAZPZVJPJHACIN-NSHDSACASA-N 0 0 289.306 2.615 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756611536 574251827 /nfs/dbraw/zinc/25/18/27/574251827.db2.gz WDEHKVNLBWJBDT-TVQRCGJNSA-N 0 0 273.323 2.728 20 10 CFCDRN O=C([O-])N1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000740512605 574252202 /nfs/dbraw/zinc/25/22/02/574252202.db2.gz OIHNWFWAJLPSAE-JTQLQIEISA-N 0 0 298.770 2.525 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc2c(c1)CCO2 ZINC000748444934 574252618 /nfs/dbraw/zinc/25/26/18/574252618.db2.gz XKZMFTICAOTONI-UHFFFAOYSA-N 0 0 284.315 2.649 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc(F)ccc1F ZINC000748438591 574252824 /nfs/dbraw/zinc/25/28/24/574252824.db2.gz MIASXGLCEFLKEN-UHFFFAOYSA-N 0 0 278.258 2.992 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000756628033 574253281 /nfs/dbraw/zinc/25/32/81/574253281.db2.gz KHEXOHGQFIVLSL-NWDGAFQWSA-N 0 0 266.360 2.524 20 10 CFCDRN O=C(NCCCc1ccccc1)NCc1ccccc1O ZINC000748462265 574253821 /nfs/dbraw/zinc/25/38/21/574253821.db2.gz DREVSNXMTJCUNJ-UHFFFAOYSA-N 0 0 284.359 2.824 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756644307 574254683 /nfs/dbraw/zinc/25/46/83/574254683.db2.gz FBBIXTVWSUXQKN-IINYFYTJSA-N 0 0 280.324 2.520 20 10 CFCDRN Cc1noc(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756683175 574257713 /nfs/dbraw/zinc/25/77/13/574257713.db2.gz GICXUTPAPNIFBJ-QMMMGPOBSA-N 0 0 297.305 2.645 20 10 CFCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756747021 574260648 /nfs/dbraw/zinc/26/06/48/574260648.db2.gz LGPSZGCLMYYJNJ-LLVKDONJSA-N 0 0 294.351 2.768 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000756770135 574261542 /nfs/dbraw/zinc/26/15/42/574261542.db2.gz SNUJTRILLZVOLU-VZJVUDMVSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756784966 574262820 /nfs/dbraw/zinc/26/28/20/574262820.db2.gz RDEOFAAYMQDVCW-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741083195 574281057 /nfs/dbraw/zinc/28/10/57/574281057.db2.gz MFOPZDCVIOGDBB-NWDGAFQWSA-N 0 0 293.386 2.832 20 10 CFCDRN CC[C@H](C)NC(=S)NCc1ccc(N(C)C)cc1C ZINC000734383048 574285807 /nfs/dbraw/zinc/28/58/07/574285807.db2.gz AMQRCXQTUXNHHN-LBPRGKRZSA-N 0 0 279.453 2.824 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2[nH]ccc21 ZINC000734484171 574288319 /nfs/dbraw/zinc/28/83/19/574288319.db2.gz ZHLHYIKWMICYIO-UHFFFAOYSA-N 0 0 281.363 2.944 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C1CC1 ZINC000734519544 574290131 /nfs/dbraw/zinc/29/01/31/574290131.db2.gz WKTIXTTYGKFFRM-LBPRGKRZSA-N 0 0 275.396 2.659 20 10 CFCDRN C[C@H](CNC(=O)NCc1ccccc1O)C(C)(C)C ZINC000734663248 574297203 /nfs/dbraw/zinc/29/72/03/574297203.db2.gz KPMWIYBSSIPJLT-LLVKDONJSA-N 0 0 264.369 2.874 20 10 CFCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000734687275 574297616 /nfs/dbraw/zinc/29/76/16/574297616.db2.gz RSMFUVBXUCFNBF-UHFFFAOYSA-N 0 0 275.396 2.755 20 10 CFCDRN CCCOC(=O)[C@@H](C)N1CCCc2cc(OC)ccc21 ZINC000741774532 574301824 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574313235 /nfs/dbraw/zinc/31/32/35/574313235.db2.gz XNMLDRQAGDYNBT-CKXPSTMWSA-N 0 0 297.358 2.638 20 10 CFCDRN Cc1ccncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000742045586 574314234 /nfs/dbraw/zinc/31/42/34/574314234.db2.gz CUCQKACFBQTGGK-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000743311117 574358040 /nfs/dbraw/zinc/35/80/40/574358040.db2.gz CZBDRCGARSPPLG-MRVPVSSYSA-N 0 0 261.243 2.549 20 10 CFCDRN O=C(Nc1c(O)cccc1F)C1=CC(=O)CS1 ZINC000743416101 574362984 /nfs/dbraw/zinc/36/29/84/574362984.db2.gz NWYMVPXMDQZBPH-UHFFFAOYSA-N 0 0 253.254 2.551 20 10 CFCDRN O=C(c1cocn1)N(Cc1ccco1)Cc1ccccc1O ZINC000743429343 574363966 /nfs/dbraw/zinc/36/39/66/574363966.db2.gz LBFQENHROCXFAE-UHFFFAOYSA-N 0 0 298.298 2.816 20 10 CFCDRN O=C(c1cn[nH]c1)N(Cc1ccco1)Cc1ccccc1O ZINC000743428157 574364103 /nfs/dbraw/zinc/36/41/03/574364103.db2.gz MSFRBUGWDJBMHZ-UHFFFAOYSA-N 0 0 297.314 2.551 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1O ZINC000743719842 574371242 /nfs/dbraw/zinc/37/12/42/574371242.db2.gz WULARCUXVDQPOP-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN C[C@@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301152 574373806 /nfs/dbraw/zinc/37/38/06/574373806.db2.gz AQTIATBYMHXNIA-NEPJUHHUSA-N 0 0 292.342 2.991 20 10 CFCDRN CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751306543 574374082 /nfs/dbraw/zinc/37/40/82/574374082.db2.gz ACKBGMSZEHAYQK-UHFFFAOYSA-N 0 0 266.304 2.745 20 10 CFCDRN C/C=C(\C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751361849 574375405 /nfs/dbraw/zinc/37/54/05/574375405.db2.gz RGPYBUSOWNZPLR-QJIMOZNHSA-N 0 0 288.391 2.667 20 10 CFCDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000752816365 574395462 /nfs/dbraw/zinc/39/54/62/574395462.db2.gz SIVCBFLQYDMWBY-MFKMUULPSA-N 0 0 283.393 2.635 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)ccc1O ZINC000753567699 574404731 /nfs/dbraw/zinc/40/47/31/574404731.db2.gz HOCYSTQVODBWOR-ZDUSSCGKSA-N 0 0 297.782 2.867 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000753589684 574405592 /nfs/dbraw/zinc/40/55/92/574405592.db2.gz LLBSXWLJGSEDKE-SECBINFHSA-N 0 0 273.735 2.701 20 10 CFCDRN C[C@@H]([NH2+]CCC(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000818046315 597238662 /nfs/dbraw/zinc/23/86/62/597238662.db2.gz ROYCLCWNFJFQNQ-CYBMUJFWSA-N 0 0 276.380 2.802 20 10 CFCDRN CCN(C)c1ccc([C@H](C)[NH2+]CCCC(=O)[O-])cc1 ZINC000818193622 597247869 /nfs/dbraw/zinc/24/78/69/597247869.db2.gz FTZYLKRQZJIEAG-LBPRGKRZSA-N 0 0 264.369 2.658 20 10 CFCDRN CC[C@H]([NH2+]CCCCC(=O)[O-])c1ccccc1O ZINC000820285362 597808895 /nfs/dbraw/zinc/80/88/95/597808895.db2.gz ZPNOTYLMEFXHBN-LBPRGKRZSA-N 0 0 251.326 2.688 20 10 CFCDRN O=C([O-])c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000821552291 598213059 /nfs/dbraw/zinc/21/30/59/598213059.db2.gz GJRBURZZLYDQER-UHFFFAOYSA-N 0 0 275.279 2.519 20 10 CFCDRN CCOc1ccc(C[NH2+]C(CC)(CC)CC(=O)[O-])c(O)c1 ZINC000830075337 601261842 /nfs/dbraw/zinc/26/18/42/601261842.db2.gz OOMJUMXXXJASCC-UHFFFAOYSA-N 0 0 295.379 2.914 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000832900222 601819768 /nfs/dbraw/zinc/81/97/68/601819768.db2.gz TYPBJZXIXOQMSL-IUODEOHRSA-N 0 0 291.391 2.977 20 10 CFCDRN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000833827833 605682041 /nfs/dbraw/zinc/68/20/41/605682041.db2.gz BCEGMNXVRYNVFQ-NXEZZACHSA-N 0 0 298.770 2.524 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC1(C)C ZINC000935945442 649963885 /nfs/dbraw/zinc/96/38/85/649963885.db2.gz XGRUXVYCTVEKEB-LLVKDONJSA-N 0 0 282.380 2.930 20 10 CFCDRN Cc1cccc(CNc2cccc(-c3nn[nH]n3)c2C)c1O ZINC000826298412 609486490 /nfs/dbraw/zinc/48/64/90/609486490.db2.gz RGWOLHMRJFYWRX-UHFFFAOYSA-N 0 0 295.346 2.801 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759355 617837188 /nfs/dbraw/zinc/83/71/88/617837188.db2.gz AFVUQUBPVTWYBE-QMMMGPOBSA-N 0 0 273.785 2.803 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)O1 ZINC000890759476 617837473 /nfs/dbraw/zinc/83/74/73/617837473.db2.gz CWERMZYAMVKSQJ-ZYHUDNBSSA-N 0 0 283.755 2.619 20 10 CFCDRN CC[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2O)CCO1 ZINC000890759990 617839214 /nfs/dbraw/zinc/83/92/14/617839214.db2.gz YCRGJVURIIORFP-PWSUYJOCSA-N 0 0 297.782 2.867 20 10 CFCDRN Cn1ccc(C=C2SC(NC3CCCCC3)=NC2=O)c1 ZINC000160176613 617606257 /nfs/dbraw/zinc/60/62/57/617606257.db2.gz NKTRUOKYMNNAAB-UKTHLTGXSA-N 0 0 289.404 2.918 20 10 CFCDRN CN(Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000121249829 617608003 /nfs/dbraw/zinc/60/80/03/617608003.db2.gz IOFOOJYDIDVPLD-UHFFFAOYSA-N 0 0 286.287 2.960 20 10 CFCDRN O=C1Nc2ccccc2/C1=C\c1nccn1CC(F)(F)F ZINC000255373805 617688892 /nfs/dbraw/zinc/68/88/92/617688892.db2.gz AFPSXUWDFURBNE-JXMROGBWSA-N 0 0 293.248 2.938 20 10 CFCDRN CCN(Cc1ccc(OC)c(OC)c1O)CC(F)(F)F ZINC000891699548 617716403 /nfs/dbraw/zinc/71/64/03/617716403.db2.gz KHJAMRRJKLDIFO-UHFFFAOYSA-N 0 0 293.285 2.794 20 10 CFCDRN Cn1cc(NCc2cccc(Br)c2O)cn1 ZINC000042411926 620755407 /nfs/dbraw/zinc/75/54/07/620755407.db2.gz UZLYNBJLEZRPCX-UHFFFAOYSA-N 0 0 282.141 2.500 20 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CFCDRN O=C(NCCCSc1nccs1)[C@]12C[C@H]1CCC2 ZINC000932683497 617935847 /nfs/dbraw/zinc/93/58/47/617935847.db2.gz PSIPMPTUQGGCTR-ZWNOBZJWSA-N 0 0 282.434 2.932 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C2CC2)c1 ZINC000175831778 617987264 /nfs/dbraw/zinc/98/72/64/617987264.db2.gz FLGXSLUXTHQEQE-ZJUUUORDSA-N 0 0 263.337 2.624 20 10 CFCDRN CCc1ccc(C(=O)NCCc2ccc(N)cc2)s1 ZINC000043639650 618020070 /nfs/dbraw/zinc/02/00/70/618020070.db2.gz KGTRAGKUPFDZPG-UHFFFAOYSA-N 0 0 274.389 2.865 20 10 CFCDRN COc1ccc(N2CCC(Nc3cc(C)cnn3)CC2)cc1 ZINC000892269055 618068034 /nfs/dbraw/zinc/06/80/34/618068034.db2.gz JVLAJTIJDFSCRA-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN CCc1ncc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000049175721 618078920 /nfs/dbraw/zinc/07/89/20/618078920.db2.gz NXQNKGXEGBULRJ-UHFFFAOYSA-N 0 0 276.361 2.683 20 10 CFCDRN Cc1ccc(F)c(C=C2SC(=S)NC2=O)c1 ZINC000255520766 618085634 /nfs/dbraw/zinc/08/56/34/618085634.db2.gz GYSCHFFGNUZYSE-WEVVVXLNSA-N 0 0 253.323 2.623 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000934705360 618110306 /nfs/dbraw/zinc/11/03/06/618110306.db2.gz XRRGYLUUVOCDKG-BBRMVZONSA-N 0 0 291.391 2.802 20 10 CFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(F)(F)F ZINC000120290995 618110471 /nfs/dbraw/zinc/11/04/71/618110471.db2.gz FVSXVWHNTOXSHL-UHFFFAOYSA-N 0 0 298.220 2.970 20 10 CFCDRN CC(C)[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000934705361 618110472 /nfs/dbraw/zinc/11/04/72/618110472.db2.gz XRRGYLUUVOCDKG-CJNGLKHVSA-N 0 0 291.391 2.802 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cncc(Cl)c1 ZINC000307955902 618161558 /nfs/dbraw/zinc/16/15/58/618161558.db2.gz RFLUCOYEXLWSIP-UHFFFAOYSA-N 0 0 276.723 2.713 20 10 CFCDRN COc1ccc(CN2CCc3cc(OC)ccc32)o1 ZINC000891405759 618188761 /nfs/dbraw/zinc/18/87/61/618188761.db2.gz FZZIVEREUDONJD-UHFFFAOYSA-N 0 0 259.305 2.860 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC(C)C ZINC000840871313 618193163 /nfs/dbraw/zinc/19/31/63/618193163.db2.gz YHVLXFCKGSLYNA-ZDUSSCGKSA-N 0 0 293.480 2.865 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C ZINC000052851255 618201795 /nfs/dbraw/zinc/20/17/95/618201795.db2.gz ZSNIXGNGXAYKKD-DOMZBBRYSA-N 0 0 260.381 2.757 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC000176959500 618247402 /nfs/dbraw/zinc/24/74/02/618247402.db2.gz JJEBVKXICCYOEN-QWHCGFSZSA-N 0 0 276.355 2.554 20 10 CFCDRN Cc1noc(C)c1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893961572 618248126 /nfs/dbraw/zinc/24/81/26/618248126.db2.gz CJZSQALHHHUITF-UHFFFAOYSA-N 0 0 282.290 2.907 20 10 CFCDRN COc1ccc(F)cc1C(=O)Nc1ccc(N)cc1 ZINC000237171395 618250558 /nfs/dbraw/zinc/25/05/58/618250558.db2.gz RGJPJSUHEPYORX-UHFFFAOYSA-N 0 0 260.268 2.669 20 10 CFCDRN CCC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C)C1 ZINC000895077201 618265601 /nfs/dbraw/zinc/26/56/01/618265601.db2.gz CBXTUKUWYCSGRV-ZDUSSCGKSA-N 0 0 284.350 2.587 20 10 CFCDRN CCC(C)(CC)NC(=O)c1ccc(C)c(O)c1O ZINC000179496837 618279210 /nfs/dbraw/zinc/27/92/10/618279210.db2.gz LCRSPLGFXRKZJU-UHFFFAOYSA-N 0 0 251.326 2.715 20 10 CFCDRN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894058738 618297193 /nfs/dbraw/zinc/29/71/93/618297193.db2.gz WQTYMIXSRZSZJU-LBPRGKRZSA-N 0 0 298.377 2.834 20 10 CFCDRN CC(C)CO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894095986 618322073 /nfs/dbraw/zinc/32/20/73/618322073.db2.gz SUNCCGCTTLJDGZ-CYBMUJFWSA-N 0 0 285.334 2.917 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2cccnc2)cc1 ZINC000248116063 618349324 /nfs/dbraw/zinc/34/93/24/618349324.db2.gz LNQYHGGKOLRXAX-UHFFFAOYSA-N 0 0 297.402 2.739 20 10 CFCDRN CCC[C@](C)(NCc1cc(C)cc(OC)c1O)C(=O)OC ZINC000894137396 618382778 /nfs/dbraw/zinc/38/27/78/618382778.db2.gz OWMJZKZYHAKBEU-INIZCTEOSA-N 0 0 295.379 2.531 20 10 CFCDRN O=C(OCc1ccc(Cl)nc1)c1cccc(O)c1O ZINC000776282105 618430399 /nfs/dbraw/zinc/43/03/99/618430399.db2.gz OKNSRZFONDZALZ-UHFFFAOYSA-N 0 0 279.679 2.503 20 10 CFCDRN CCC(O)(CC)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877659355 618455606 /nfs/dbraw/zinc/45/56/06/618455606.db2.gz QAGZQVOFTLQPEE-UHFFFAOYSA-N 0 0 273.323 2.653 20 10 CFCDRN OC[C@H]1Cc2ccccc2N1Cc1cccc(Cl)c1O ZINC000895241103 618492965 /nfs/dbraw/zinc/49/29/65/618492965.db2.gz BWDJLUXEIRUFET-CYBMUJFWSA-N 0 0 289.762 2.969 20 10 CFCDRN CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000895437476 618585649 /nfs/dbraw/zinc/58/56/49/618585649.db2.gz LYYMWDDXSWGHLE-HUUCEWRRSA-N 0 0 279.380 2.526 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(C)C ZINC000840881772 618630803 /nfs/dbraw/zinc/63/08/03/618630803.db2.gz JEZHOIXYPBCKLV-RIEGTJTDSA-N 0 0 296.367 2.747 20 10 CFCDRN Oc1ccc(Br)cc1CNCc1cscn1 ZINC000163761413 618680915 /nfs/dbraw/zinc/68/09/15/618680915.db2.gz ZODJTVZJXIWECK-UHFFFAOYSA-N 0 0 299.193 2.901 20 10 CFCDRN Cn1cc(NCc2cc(Br)ccc2O)cn1 ZINC000163832123 618681550 /nfs/dbraw/zinc/68/15/50/618681550.db2.gz CGPASCMEGWKXTL-UHFFFAOYSA-N 0 0 282.141 2.500 20 10 CFCDRN CN(Cc1nnsc1Cl)Cc1ccccc1O ZINC000109773592 618686764 /nfs/dbraw/zinc/68/67/64/618686764.db2.gz QMKQJVZTPVFCMV-UHFFFAOYSA-N 0 0 269.757 2.529 20 10 CFCDRN O=C(/C=C\c1ccccc1)NCc1ccccc1O ZINC000311258945 618698962 /nfs/dbraw/zinc/69/89/62/618698962.db2.gz RALPIIOGKDMBGT-KHPPLWFESA-N 0 0 253.301 2.722 20 10 CFCDRN Cc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1C ZINC000053137364 618711601 /nfs/dbraw/zinc/71/16/01/618711601.db2.gz ZCPSYFOMSRWYDN-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN COc1cc(CN2CCc3ncsc3C2)c(O)cc1C ZINC000783545104 618716781 /nfs/dbraw/zinc/71/67/81/618716781.db2.gz MUDPIEXPHBZYHK-UHFFFAOYSA-N 0 0 290.388 2.724 20 10 CFCDRN COc1cccc(CNc2cccc(-c3nc[nH]n3)c2)c1O ZINC000168747266 618718400 /nfs/dbraw/zinc/71/84/00/618718400.db2.gz KICPFTZDEFMNTC-UHFFFAOYSA-N 0 0 296.330 2.798 20 10 CFCDRN CC(C)CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000169511973 618722928 /nfs/dbraw/zinc/72/29/28/618722928.db2.gz ARDWPGKUNNUACS-XQRVVYSFSA-N 0 0 250.294 2.700 20 10 CFCDRN CN(C)c1ccc(CN(C)Cn2ncsc2=S)cc1 ZINC000024449215 618757393 /nfs/dbraw/zinc/75/73/93/618757393.db2.gz OLRFHBMJRKPMLR-UHFFFAOYSA-N 0 0 294.449 2.830 20 10 CFCDRN CC[C@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840895315 618779507 /nfs/dbraw/zinc/77/95/07/618779507.db2.gz JTSOGCMBXOYMQS-ZDUSSCGKSA-N 0 0 257.761 2.605 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2noc(C(C)C)n2)c1 ZINC000182389531 625294635 /nfs/dbraw/zinc/29/46/35/625294635.db2.gz VWBPQORRZDGVKE-JTQLQIEISA-N 0 0 291.351 2.758 20 10 CFCDRN CC(C)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000180632121 618865766 /nfs/dbraw/zinc/86/57/66/618865766.db2.gz RCZTUMSFRBEGFL-XBXARRHUSA-N 0 0 275.348 2.758 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185433837 625725355 /nfs/dbraw/zinc/72/53/55/625725355.db2.gz CIYFYGMJPNKJBW-YGRLFVJLSA-N 0 0 255.333 2.589 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csnc2C)c1 ZINC000182264279 618892756 /nfs/dbraw/zinc/89/27/56/618892756.db2.gz LAEWLIMYBQINAE-QMMMGPOBSA-N 0 0 292.360 2.657 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(F)cc1[O-] ZINC000313059305 618973585 /nfs/dbraw/zinc/97/35/85/618973585.db2.gz DXFJUKSWCONQRK-NOZJJQNGSA-N 0 0 253.317 2.607 20 10 CFCDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCCC2)c1[O-] ZINC000199914712 618978126 /nfs/dbraw/zinc/97/81/26/618978126.db2.gz IPIGTZWSVCLGPW-UHFFFAOYSA-N 0 0 297.354 2.925 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CSC)c1 ZINC000077799403 619027343 /nfs/dbraw/zinc/02/73/43/619027343.db2.gz ACKRZIDFDGVRFA-UWVGGRQHSA-N 0 0 298.408 2.513 20 10 CFCDRN C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310138618 619082136 /nfs/dbraw/zinc/08/21/36/619082136.db2.gz BSILSYBKRSSFHH-RDDDGLTNSA-N 0 0 275.179 2.621 20 10 CFCDRN Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(O)c1O ZINC000182506107 625319678 /nfs/dbraw/zinc/31/96/78/625319678.db2.gz AQIXZTGUKNMLQO-GFCCVEGCSA-N 0 0 297.354 2.993 20 10 CFCDRN COc1ccc(NC(=S)NCc2ncccc2C)cc1 ZINC000243482970 625319920 /nfs/dbraw/zinc/31/99/20/625319920.db2.gz NPQOPBQFHWYTJA-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN Cc1scc(C(=O)NCc2ccc(O)c(O)c2)c1C ZINC000182522038 625322244 /nfs/dbraw/zinc/32/22/44/625322244.db2.gz ZIDDMKYHUUGSHL-UHFFFAOYSA-N 0 0 277.345 2.706 20 10 CFCDRN COc1ccc(CN[C@@H](C)C(=O)OC2CCCC2)cc1C ZINC000748098822 619335085 /nfs/dbraw/zinc/33/50/85/619335085.db2.gz OLAVESQUHPMSMV-ZDUSSCGKSA-N 0 0 291.391 2.968 20 10 CFCDRN COc1cc(C)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000894351960 619345789 /nfs/dbraw/zinc/34/57/89/619345789.db2.gz MYXKHGOOAJUUDB-ZDUSSCGKSA-N 0 0 287.363 2.600 20 10 CFCDRN COCCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000048667195 619366825 /nfs/dbraw/zinc/36/68/25/619366825.db2.gz YLSOHYWUZRDORB-UHFFFAOYSA-N 0 0 292.404 2.922 20 10 CFCDRN COc1cc(C)cc(CNc2cnn(C)c2C2CC2)c1O ZINC000894478325 619396608 /nfs/dbraw/zinc/39/66/08/619396608.db2.gz XDRRALUXAKWSST-UHFFFAOYSA-N 0 0 287.363 2.932 20 10 CFCDRN CC(=O)OC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000894514869 619406937 /nfs/dbraw/zinc/40/69/37/619406937.db2.gz PSOVSHIMVNLXAG-SSDOTTSWSA-N 0 0 292.162 2.740 20 10 CFCDRN O=C(CCC(=O)c1ccccc1)NCc1ccccc1O ZINC000748354849 619408515 /nfs/dbraw/zinc/40/85/15/619408515.db2.gz NYLNGMZJACSOND-UHFFFAOYSA-N 0 0 283.327 2.672 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000894890223 619499761 /nfs/dbraw/zinc/49/97/61/619499761.db2.gz ZWRBXPASHLJVEH-NWANDNLSSA-N 0 0 297.345 2.796 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000894915319 619512379 /nfs/dbraw/zinc/51/23/79/619512379.db2.gz RIKCEEGZKGDQTL-GFCCVEGCSA-N 0 0 287.350 2.899 20 10 CFCDRN CCc1c[nH]c2ncnc(N3Cc4cccc(O)c4C3)c12 ZINC000894990583 619521919 /nfs/dbraw/zinc/52/19/19/619521919.db2.gz GBFMYOAARSLJPJ-UHFFFAOYSA-N 0 0 280.331 2.746 20 10 CFCDRN CC(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895482167 619541176 /nfs/dbraw/zinc/54/11/76/619541176.db2.gz XDDJUMGBXKSMJU-UHFFFAOYSA-N 0 0 265.334 2.698 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000895539880 619550428 /nfs/dbraw/zinc/55/04/28/619550428.db2.gz KISVVNVOSGXZHD-JLIMDTESSA-N 0 0 273.735 2.699 20 10 CFCDRN CCc1cccc(CNC2(c3ncccn3)CCC2)c1O ZINC000895623246 619570451 /nfs/dbraw/zinc/57/04/51/619570451.db2.gz QGUOGDRHTZCMGQ-UHFFFAOYSA-N 0 0 283.375 2.914 20 10 CFCDRN CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895670088 619582356 /nfs/dbraw/zinc/58/23/56/619582356.db2.gz BPUGJQYWHLUVEJ-GFCCVEGCSA-N 0 0 268.788 2.538 20 10 CFCDRN Oc1cccc2c1CN(Cc1cnn(CC3CCC3)c1)C2 ZINC000895785767 619606560 /nfs/dbraw/zinc/60/65/60/619606560.db2.gz SRRVMIWEOUWNMC-UHFFFAOYSA-N 0 0 283.375 2.905 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844718 619618158 /nfs/dbraw/zinc/61/81/58/619618158.db2.gz OGWMYMMJSAINHV-YGRLFVJLSA-N 0 0 283.318 2.671 20 10 CFCDRN Oc1cccc(F)c1CNc1cc(N2CCCC2)ncn1 ZINC000895832883 619619206 /nfs/dbraw/zinc/61/92/06/619619206.db2.gz PLRLHQHYGFJILE-UHFFFAOYSA-N 0 0 288.326 2.534 20 10 CFCDRN CCCC1(CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182608474 625360290 /nfs/dbraw/zinc/36/02/90/625360290.db2.gz IZXSSWQMSPTXRG-UHFFFAOYSA-N 0 0 263.337 2.716 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2F)[C@H]1C ZINC000896636667 619779829 /nfs/dbraw/zinc/77/98/29/619779829.db2.gz FABZYXUFIGJLMJ-COPLHBTASA-N 0 0 295.354 2.599 20 10 CFCDRN CCOC(=O)CC(C)(C)C[NH2+]Cc1c([O-])cccc1F ZINC000896640186 619781506 /nfs/dbraw/zinc/78/15/06/619781506.db2.gz ZVOCLGTWJCDTJK-UHFFFAOYSA-N 0 0 283.343 2.600 20 10 CFCDRN COCc1ccc(C[NH2+]Cc2c([O-])cccc2F)o1 ZINC000896642019 619782184 /nfs/dbraw/zinc/78/21/84/619782184.db2.gz WARIOONHRZTXQT-UHFFFAOYSA-N 0 0 265.284 2.561 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCn2cccc2C1 ZINC000896761160 619808260 /nfs/dbraw/zinc/80/82/60/619808260.db2.gz PXZOBHKZMGDBKM-UHFFFAOYSA-N 0 0 262.740 2.863 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCn2cccc2C1 ZINC000896760484 619808879 /nfs/dbraw/zinc/80/88/79/619808879.db2.gz AUCIZEOVGZATNG-UHFFFAOYSA-N 0 0 269.392 2.878 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(F)cc1[O-] ZINC000796962179 619958335 /nfs/dbraw/zinc/95/83/35/619958335.db2.gz PSLUYLQJPFEIJJ-ONGXEEELSA-N 0 0 277.286 2.588 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccn(C)n1 ZINC000840720337 619978542 /nfs/dbraw/zinc/97/85/42/619978542.db2.gz MYNPQDNLXPQNGV-ZDUSSCGKSA-N 0 0 284.407 2.653 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2cccc(O)c2)c(O)c1O ZINC000182836007 625385654 /nfs/dbraw/zinc/38/56/54/625385654.db2.gz BXIIOMWLQFUAIL-SNVBAGLBSA-N 0 0 287.315 2.603 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000928705376 619995692 /nfs/dbraw/zinc/99/56/92/619995692.db2.gz IBSIWTVSXUVVEY-GMTAPVOTSA-N 0 0 263.312 2.584 20 10 CFCDRN [O-]c1c(C[NH2+]C2([C@H]3CCCCO3)CC2)ccc(F)c1F ZINC000897387089 620089483 /nfs/dbraw/zinc/08/94/83/620089483.db2.gz FHSVTXAPPLQERN-GFCCVEGCSA-N 0 0 283.318 2.862 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841744225 620185728 /nfs/dbraw/zinc/18/57/28/620185728.db2.gz GGSKYDHNFYRBGD-PWSUYJOCSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000237390041 620215647 /nfs/dbraw/zinc/21/56/47/620215647.db2.gz GFRZLLBYKGCAAG-KOLCDFICSA-N 0 0 250.298 2.579 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000786733593 620259740 /nfs/dbraw/zinc/25/97/40/620259740.db2.gz DFKVLTHGWYGPQW-JTQLQIEISA-N 0 0 276.258 2.532 20 10 CFCDRN Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000148730244 620268388 /nfs/dbraw/zinc/26/83/88/620268388.db2.gz JCSLWQSSXWLMOB-VQHVLOKHSA-N 0 0 297.354 2.778 20 10 CFCDRN C[C@@H]1CC2(CC([NH2+]Cc3cc(F)cc(F)c3[O-])C2)CO1 ZINC000897773698 620279462 /nfs/dbraw/zinc/27/94/62/620279462.db2.gz LKZGFVGIUXBECN-DQSQBROSSA-N 0 0 283.318 2.718 20 10 CFCDRN CCOc1ccc(C[NH2+][C@H](CCO)C2CCCC2)c(O)c1 ZINC000897884985 620297666 /nfs/dbraw/zinc/29/76/66/620297666.db2.gz BNRIAYWDHREYDF-MRXNPFEDSA-N 0 0 293.407 2.822 20 10 CFCDRN Cc1ccc(CNc2ccnn2[C@H]2CCCOC2)c(O)c1 ZINC000898089542 620331189 /nfs/dbraw/zinc/33/11/89/620331189.db2.gz UNUSFUKDCDQUAH-AWEZNQCLSA-N 0 0 287.363 2.861 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cncs1 ZINC000898180233 620347484 /nfs/dbraw/zinc/34/74/84/620347484.db2.gz VTOFQJAEZKVEKT-VIFPVBQESA-N 0 0 289.360 2.635 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000926936725 620427856 /nfs/dbraw/zinc/42/78/56/620427856.db2.gz MGCDEOHQCLEBMT-BARDWOONSA-N 0 0 273.376 2.942 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000927020050 620440485 /nfs/dbraw/zinc/44/04/85/620440485.db2.gz WEGDGJVFHJGCOJ-PWSUYJOCSA-N 0 0 255.333 2.733 20 10 CFCDRN CC(C)Cn1ccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000899181648 620528329 /nfs/dbraw/zinc/52/83/29/620528329.db2.gz JCCQQJDHAIPHEK-GFCCVEGCSA-N 0 0 287.363 2.736 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CF)C2)cc1 ZINC000899205330 620531528 /nfs/dbraw/zinc/53/15/28/620531528.db2.gz MFPRNJKSFMKDRQ-SNVBAGLBSA-N 0 0 292.314 2.671 20 10 CFCDRN CCN1C(=O)/C(=C\c2cnn(C3CCC3)c2)SC1=S ZINC000899331806 620546496 /nfs/dbraw/zinc/54/64/96/620546496.db2.gz CAGCZWJMLDEJOT-IZZDOVSWSA-N 0 0 293.417 2.829 20 10 CFCDRN CCn1cnc(/C=C2/c3cccc4c3N(CCC4)C2=O)c1 ZINC000899385288 620557107 /nfs/dbraw/zinc/55/71/07/620557107.db2.gz SKDCNASKWAKJKW-DHDCSXOGSA-N 0 0 279.343 2.736 20 10 CFCDRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000179388689 620859184 /nfs/dbraw/zinc/85/91/84/620859184.db2.gz VXKFVLSWMBJNIP-UHFFFAOYSA-N 0 0 285.343 2.987 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C/c1cn(C)cn1)CCC2 ZINC000901757278 620909598 /nfs/dbraw/zinc/90/95/98/620909598.db2.gz IARHXBNWLUPAMA-CMDGGOBGSA-N 0 0 281.359 2.721 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000901757279 620909700 /nfs/dbraw/zinc/90/97/00/620909700.db2.gz IARHXBNWLUPAMA-HJWRWDBZSA-N 0 0 281.359 2.721 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927300236 620993035 /nfs/dbraw/zinc/99/30/35/620993035.db2.gz XFDDLOHSJSNTNE-WBMJQRKESA-N 0 0 285.368 2.867 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)cc2C)cn1 ZINC000902210844 620993444 /nfs/dbraw/zinc/99/34/44/620993444.db2.gz KWGNCXBHWLNSLA-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000071141905 625464353 /nfs/dbraw/zinc/46/43/53/625464353.db2.gz PBWLXKAGJIDLTN-SECBINFHSA-N 0 0 289.206 2.740 20 10 CFCDRN CC[C@H]([NH2+]Cc1csc(N)n1)c1ccc(F)cc1[O-] ZINC000902499063 621105190 /nfs/dbraw/zinc/10/51/90/621105190.db2.gz KLEOEHAQQDJANW-NSHDSACASA-N 0 0 281.356 2.811 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1[O-] ZINC000903198583 621282864 /nfs/dbraw/zinc/28/28/64/621282864.db2.gz MPHBHVBUYCFCOU-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000903254659 621300640 /nfs/dbraw/zinc/30/06/40/621300640.db2.gz SYZRZJSSDKKTIZ-ZPPKWKGLSA-N 0 0 296.798 2.740 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000903402688 621369063 /nfs/dbraw/zinc/36/90/63/621369063.db2.gz GDCBHQQTZXDVHP-LBPRGKRZSA-N 0 0 289.350 2.917 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1 ZINC000903881102 621463252 /nfs/dbraw/zinc/46/32/52/621463252.db2.gz DRIUMEMUPGXOIM-ABZNLYFFSA-N 0 0 299.399 2.961 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1 ZINC000903881104 621463429 /nfs/dbraw/zinc/46/34/29/621463429.db2.gz DRIUMEMUPGXOIM-KRZKBDHCSA-N 0 0 299.399 2.961 20 10 CFCDRN CSCC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000904500804 621602678 /nfs/dbraw/zinc/60/26/78/621602678.db2.gz QPSDCZFTEYVYPV-UHFFFAOYSA-N 0 0 253.371 2.532 20 10 CFCDRN C[C@]1(c2nc(Cc3ccc(N)cc3)no2)C=CCC1 ZINC000904503448 621602807 /nfs/dbraw/zinc/60/28/07/621602807.db2.gz HMRVBWQFKQTDPT-HNNXBMFYSA-N 0 0 255.321 2.850 20 10 CFCDRN CCC(CC)NC(=O)N(C)Cc1ccccc1O ZINC000042955471 621616602 /nfs/dbraw/zinc/61/66/02/621616602.db2.gz UKEUOEJXHRRQOP-UHFFFAOYSA-N 0 0 250.342 2.722 20 10 CFCDRN CCc1ncnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1F ZINC000183598408 625519459 /nfs/dbraw/zinc/51/94/59/625519459.db2.gz OCINYOGVGZEIRP-SECBINFHSA-N 0 0 291.326 2.632 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cn(C)cn1)c1ccncc1 ZINC000906099533 621928687 /nfs/dbraw/zinc/92/86/87/621928687.db2.gz OSUJEGLXTTYDHI-AATRIKPKSA-N 0 0 284.363 2.662 20 10 CFCDRN NC(=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000149160278 621992239 /nfs/dbraw/zinc/99/22/39/621992239.db2.gz BSCKWCUKYNBOST-UHFFFAOYSA-N 0 0 276.723 2.757 20 10 CFCDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000832890241 625536262 /nfs/dbraw/zinc/53/62/62/625536262.db2.gz VUHBZPJTIFAWOC-AAEUAGOBSA-N 0 0 273.357 2.987 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC=CCCC1 ZINC000907057099 622081249 /nfs/dbraw/zinc/08/12/49/622081249.db2.gz MZTYVIDCUZNKST-AWEZNQCLSA-N 0 0 289.375 2.893 20 10 CFCDRN CCC[C@@H](C)S(=O)(=O)NCc1cccc(Cl)c1O ZINC000908327292 622220136 /nfs/dbraw/zinc/22/01/36/622220136.db2.gz GTSMDRBEEMBPQA-SECBINFHSA-N 0 0 291.800 2.654 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]CCC2(C)OCCO2)c(O)c1 ZINC000183889658 625554591 /nfs/dbraw/zinc/55/45/91/625554591.db2.gz BUAXSTFNHJDWOZ-GFCCVEGCSA-N 0 0 265.353 2.504 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H](c1ccccc1)C1CC1 ZINC000910949795 622488659 /nfs/dbraw/zinc/48/86/59/622488659.db2.gz PXRGIRHQLHEONK-KRWDZBQOSA-N 0 0 297.354 2.908 20 10 CFCDRN CCCCS[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910951712 622489301 /nfs/dbraw/zinc/48/93/01/622489301.db2.gz MBKVTRWBVKTUTB-SNVBAGLBSA-N 0 0 283.393 2.636 20 10 CFCDRN CCC[C@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910953526 622489357 /nfs/dbraw/zinc/48/93/57/622489357.db2.gz DKVMZZVUKPYMSM-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN Cc1oc(C)c(C(=O)NCc2ccc(O)cc2O)c1C ZINC000910958843 622489681 /nfs/dbraw/zinc/48/96/81/622489681.db2.gz XHHMQBLOCUAKGH-UHFFFAOYSA-N 0 0 275.304 2.546 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)cc2O)s1 ZINC000910955833 622489920 /nfs/dbraw/zinc/48/99/20/622489920.db2.gz GQSJOAZXHFLJFD-UHFFFAOYSA-N 0 0 291.372 2.635 20 10 CFCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910944453 622491650 /nfs/dbraw/zinc/49/16/50/622491650.db2.gz MKMJXYNTUDUEOA-JKSUJKDBSA-N 0 0 297.354 2.826 20 10 CFCDRN CC[C@H](C)CCC(=O)NCc1ccc(O)cc1O ZINC000910945992 622491942 /nfs/dbraw/zinc/49/19/42/622491942.db2.gz HAFPYTYCMCZLGJ-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)nc1C1CCC1 ZINC000840396045 622550088 /nfs/dbraw/zinc/55/00/88/622550088.db2.gz OFOMGOQXYCEWSY-UHFFFAOYSA-N 0 0 299.374 2.665 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000911760750 622551636 /nfs/dbraw/zinc/55/16/36/622551636.db2.gz GJLKPBYJAWBXGH-LBPRGKRZSA-N 0 0 275.396 2.740 20 10 CFCDRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820198038 622626126 /nfs/dbraw/zinc/62/61/26/622626126.db2.gz VVHJJVBCGBKOCZ-ZJUUUORDSA-N 0 0 274.324 2.720 20 10 CFCDRN CC1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820385338 622660392 /nfs/dbraw/zinc/66/03/92/622660392.db2.gz IYOABGPEYXVHCG-UHFFFAOYSA-N 0 0 274.324 2.721 20 10 CFCDRN CCOc1ccc(N(C)Cc2nc(CC)no2)cc1 ZINC000150733757 622719247 /nfs/dbraw/zinc/71/92/47/622719247.db2.gz WDHFSCAZJUMULU-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000820938739 622799931 /nfs/dbraw/zinc/79/99/31/622799931.db2.gz DSBPUFZLFLOWKH-PWSUYJOCSA-N 0 0 292.331 2.650 20 10 CFCDRN CC[C@H](C)N(OC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821035940 622827486 /nfs/dbraw/zinc/82/74/86/622827486.db2.gz AQOWISINJATINH-VIFPVBQESA-N 0 0 278.312 2.651 20 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20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000821842287 622990676 /nfs/dbraw/zinc/99/06/76/622990676.db2.gz JXRFNSNHUPZROY-ZSHCYNCHSA-N 0 0 284.403 2.949 20 10 CFCDRN C[C@H](C1CC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647239 623007752 /nfs/dbraw/zinc/00/77/52/623007752.db2.gz VKSUBJPWHFUANB-LLVKDONJSA-N 0 0 293.386 2.832 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000166374672 623010191 /nfs/dbraw/zinc/01/01/91/623010191.db2.gz POFAEGQBBMYAKN-UHFFFAOYSA-N 0 0 273.307 2.926 20 10 CFCDRN CCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058483283 623049849 /nfs/dbraw/zinc/04/98/49/623049849.db2.gz IELACWKZNIWHGF-UHFFFAOYSA-N 0 0 275.396 2.668 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000157748994 623056079 /nfs/dbraw/zinc/05/60/79/623056079.db2.gz AQBWSYMNYJANGV-MDZLAQPJSA-N 0 0 266.360 2.665 20 10 CFCDRN CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCS1 ZINC000157700676 623056400 /nfs/dbraw/zinc/05/64/00/623056400.db2.gz NEKALJUGNWLVQM-GFCCVEGCSA-N 0 0 265.382 2.628 20 10 CFCDRN CCc1cccc(N(C)C(=O)/C=C/c2cn(C)cn2)c1 ZINC000822321644 623081078 /nfs/dbraw/zinc/08/10/78/623081078.db2.gz CHWWRBVSLHWTGY-CMDGGOBGSA-N 0 0 269.348 2.659 20 10 CFCDRN COCCOCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168749992 623102567 /nfs/dbraw/zinc/10/25/67/623102567.db2.gz PIFUYRUEEUIVLB-GFCCVEGCSA-N 0 0 285.359 2.625 20 10 CFCDRN CCOC(=O)CN(CCSCC)Cc1ccccc1O ZINC000822511522 623118229 /nfs/dbraw/zinc/11/82/29/623118229.db2.gz HGVDXIWYCRGHHO-UHFFFAOYSA-N 0 0 297.420 2.510 20 10 CFCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822520979 623120706 /nfs/dbraw/zinc/12/07/06/623120706.db2.gz UTXRCTCYPMRWPH-SMDDNHRTSA-N 0 0 280.799 2.572 20 10 CFCDRN CCC1(CNC(=O)c2cccc(O)c2O)CCCC1 ZINC000229413347 623203075 /nfs/dbraw/zinc/20/30/75/623203075.db2.gz IOCILVWQKYPARC-UHFFFAOYSA-N 0 0 263.337 2.798 20 10 CFCDRN CC1(C)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822922623 623203888 /nfs/dbraw/zinc/20/38/88/623203888.db2.gz PVVHKXFRCHYDOV-NSHDSACASA-N 0 0 274.324 2.767 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC2(F)F)cc1 ZINC000822954012 623209393 /nfs/dbraw/zinc/20/93/93/623209393.db2.gz IQYVJYAFKLWDAH-SNVBAGLBSA-N 0 0 296.277 2.767 20 10 CFCDRN Cc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000229596041 623214244 /nfs/dbraw/zinc/21/42/44/623214244.db2.gz AXPVSUKJNSEFRY-LBPRGKRZSA-N 0 0 259.353 2.900 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCC2CCCC2)c1 ZINC000172068822 623257692 /nfs/dbraw/zinc/25/76/92/623257692.db2.gz JAQJECOYNIUTFJ-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1O ZINC000823203975 623261640 /nfs/dbraw/zinc/26/16/40/623261640.db2.gz SWHHRMFJPLENRM-AWEZNQCLSA-N 0 0 292.379 2.635 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C(C)C)c1 ZINC000172161292 623266128 /nfs/dbraw/zinc/26/61/28/623266128.db2.gz WZAGSOQGLKQPPM-WDEREUQCSA-N 0 0 265.353 2.870 20 10 CFCDRN Cc1cc(CCNC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000062576722 623279515 /nfs/dbraw/zinc/27/95/15/623279515.db2.gz IZCJKOILAVIQRP-UHFFFAOYSA-N 0 0 285.391 2.908 20 10 CFCDRN CCS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000062577269 623279697 /nfs/dbraw/zinc/27/96/97/623279697.db2.gz ZLRFUWFXSSJRLG-UHFFFAOYSA-N 0 0 292.404 2.533 20 10 CFCDRN COc1ccc(N2CC[C@H](CNC(=O)CC(C)C)C2)cc1 ZINC000062574827 623280454 /nfs/dbraw/zinc/28/04/54/623280454.db2.gz ZMPRMXYBTQBEQD-CQSZACIVSA-N 0 0 290.407 2.684 20 10 CFCDRN CC(C)[C@@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC000172500155 623283061 /nfs/dbraw/zinc/28/30/61/623283061.db2.gz WQIVXECVODOZNP-LBPRGKRZSA-N 0 0 264.369 2.826 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCF ZINC000840478572 623293959 /nfs/dbraw/zinc/29/39/59/623293959.db2.gz HVAVHYYISRXZPP-ZDUSSCGKSA-N 0 0 295.402 2.651 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000823452449 623323049 /nfs/dbraw/zinc/32/30/49/623323049.db2.gz KOUZDJZSPOTCQH-AAEUAGOBSA-N 0 0 286.335 2.625 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000231390106 623344194 /nfs/dbraw/zinc/34/41/94/623344194.db2.gz LHDPJRKOOIAKBX-NSHDSACASA-N 0 0 271.788 2.934 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)on2)cc1OC ZINC000063616916 623367536 /nfs/dbraw/zinc/36/75/36/623367536.db2.gz XXKYEYKGKVSPQR-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN CN(C)c1ccc(CNCc2ccncc2F)cc1F ZINC000823736990 623388437 /nfs/dbraw/zinc/38/84/37/623388437.db2.gz RCDOXZUDIRYDEN-UHFFFAOYSA-N 0 0 277.318 2.716 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000824142940 623459276 /nfs/dbraw/zinc/45/92/76/623459276.db2.gz PXZVQMIZQIKIPE-NQBHXWOUSA-N 0 0 286.335 2.767 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC2(C3CCC3)CC2)cc1 ZINC000824213031 623469806 /nfs/dbraw/zinc/46/98/06/623469806.db2.gz GLKQQUCDBZNUDH-UHFFFAOYSA-N 0 0 286.335 2.912 20 10 CFCDRN CCCN(CC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC000824474690 623511734 /nfs/dbraw/zinc/51/17/34/623511734.db2.gz RDVCVYSRKWEYDQ-UHFFFAOYSA-N 0 0 285.771 2.739 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC=CCC1 ZINC000925388033 623520159 /nfs/dbraw/zinc/52/01/59/623520159.db2.gz JOQLROYFNVAGFG-CSKARUKUSA-N 0 0 273.332 2.726 20 10 CFCDRN CCOC(=O)CN(Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000824586429 623528653 /nfs/dbraw/zinc/52/86/53/623528653.db2.gz AKNGFBQRGBWRGY-UHFFFAOYSA-N 0 0 297.782 2.882 20 10 CFCDRN Cc1cc(O)c(CN2CCOC[C@H]2C)cc1Cl ZINC000824594062 623529645 /nfs/dbraw/zinc/52/96/45/623529645.db2.gz XHWRDHAWHZSPEA-SNVBAGLBSA-N 0 0 255.745 2.575 20 10 CFCDRN C[C@@H](CCCCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824653640 623539969 /nfs/dbraw/zinc/53/99/69/623539969.db2.gz DKETXRMHEYIDRU-VIFPVBQESA-N 0 0 275.751 2.825 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000824669106 623542856 /nfs/dbraw/zinc/54/28/56/623542856.db2.gz FMUXGBWGXKUTTH-MCIONIFRSA-N 0 0 290.382 2.944 20 10 CFCDRN CN(Cc1cc[nH]n1)Cc1ccc(Br)cc1O ZINC000824777765 623563227 /nfs/dbraw/zinc/56/32/27/623563227.db2.gz OWYIGTUYUVQPFR-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795279 623567865 /nfs/dbraw/zinc/56/78/65/623567865.db2.gz SIZACJSKNFCEKV-UHFFFAOYSA-N 0 0 287.762 2.902 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C)CC[C@H](C)O)cc1Cl ZINC000824828435 623573600 /nfs/dbraw/zinc/57/36/00/623573600.db2.gz BHIHJWZMCXYGAS-JTQLQIEISA-N 0 0 257.761 2.557 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCc2n[nH]cc2[C@@H]1C)c1ccccc1O ZINC000913764062 623581031 /nfs/dbraw/zinc/58/10/31/623581031.db2.gz ZMLORCKDXGDLQK-WOPDTQHZSA-N 0 0 299.374 2.659 20 10 CFCDRN CCC(C)(C)C(=O)C(=O)N[C@@H](C)c1ccccc1O ZINC000913763676 623581608 /nfs/dbraw/zinc/58/16/08/623581608.db2.gz NWCCWXZPETZFHA-JTQLQIEISA-N 0 0 263.337 2.575 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2coc(C(C)(C)C)n2)c1 ZINC000824904720 623586196 /nfs/dbraw/zinc/58/61/96/623586196.db2.gz XIMHNEVOSCHOQU-UHFFFAOYSA-N 0 0 288.347 2.916 20 10 CFCDRN Cc1cc(CNCc2cc(Cl)c(C)cc2O)no1 ZINC000825143344 623638933 /nfs/dbraw/zinc/63/89/33/623638933.db2.gz GMAQXLKJSWSVRZ-UHFFFAOYSA-N 0 0 266.728 2.940 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@]23C[C@H]2CCC3)cc1 ZINC000913927126 623652035 /nfs/dbraw/zinc/65/20/35/623652035.db2.gz VOXUHSRVCORUEA-PBHICJAKSA-N 0 0 287.407 2.742 20 10 CFCDRN COc1ccc(CNCc2ncccc2OC)cc1C ZINC000825249407 623658924 /nfs/dbraw/zinc/65/89/24/623658924.db2.gz GJURYDXVXLVFTA-UHFFFAOYSA-N 0 0 272.348 2.697 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1Cl ZINC000825450546 623696350 /nfs/dbraw/zinc/69/63/50/623696350.db2.gz ICSAHAZSQHROEX-RYUDHWBXSA-N 0 0 283.799 2.947 20 10 CFCDRN Nc1ccc(CCNC(=O)c2cccc3c2CCC3)cc1 ZINC000152485627 623714699 /nfs/dbraw/zinc/71/46/99/623714699.db2.gz LIAQIMKBBRDJFQ-UHFFFAOYSA-N 0 0 280.371 2.730 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000825601636 623721423 /nfs/dbraw/zinc/72/14/23/623721423.db2.gz AOEMBJYVHNHUBU-RBSFLKMASA-N 0 0 287.407 2.740 20 10 CFCDRN C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(F)F ZINC000825602039 623721738 /nfs/dbraw/zinc/72/17/38/623721738.db2.gz GVWGRWQKRDLBGU-LLVKDONJSA-N 0 0 299.365 2.843 20 10 CFCDRN Cc1cc(O)c(C[N@H+](CCO)C2CCC2)cc1Cl ZINC000825634078 623727594 /nfs/dbraw/zinc/72/75/94/623727594.db2.gz IBKATKNHLGIIPG-UHFFFAOYSA-N 0 0 269.772 2.701 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H](O)CC(F)(F)C2)cc1Cl ZINC000825658257 623731777 /nfs/dbraw/zinc/73/17/77/623731777.db2.gz NPIQGFBBAVYJDB-SNVBAGLBSA-N 0 0 291.725 2.556 20 10 CFCDRN CCN(CCC(F)(F)F)C(=O)c1c(F)ccc(O)c1O ZINC000825658686 623732521 /nfs/dbraw/zinc/73/25/21/623732521.db2.gz MSMRPOXNACXRDB-UHFFFAOYSA-N 0 0 295.232 2.651 20 10 CFCDRN Cc1cc(O)c(CN2CCn3cnnc3[C@@H]2C)cc1Cl ZINC000825685609 623740148 /nfs/dbraw/zinc/74/01/48/623740148.db2.gz GMWUEZYDWJFBBR-JTQLQIEISA-N 0 0 292.770 2.522 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000825736802 623749244 /nfs/dbraw/zinc/74/92/44/623749244.db2.gz JVEZYGMYAHLPDO-OPQQBVKSSA-N 0 0 263.337 2.624 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(CCO)nc2)cc1Cl ZINC000825939671 623772122 /nfs/dbraw/zinc/77/21/22/623772122.db2.gz GBGKPGRRJDIOJZ-UHFFFAOYSA-N 0 0 292.766 2.896 20 10 CFCDRN Oc1cc(Br)ccc1CNC(CF)CF ZINC000826029855 623785058 /nfs/dbraw/zinc/78/50/58/623785058.db2.gz KWJDKLGIWRMLJR-UHFFFAOYSA-N 0 0 280.112 2.552 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000914516553 623890360 /nfs/dbraw/zinc/89/03/60/623890360.db2.gz LNWOOQYYKVLRBR-DAXSKMNVSA-N 0 0 291.301 2.765 20 10 CFCDRN Cc1nnc(CN(C)C/C=C/c2ccc(N(C)C)cc2)o1 ZINC000827038841 623928681 /nfs/dbraw/zinc/92/86/81/623928681.db2.gz AQAIZDVRBAEQOY-AATRIKPKSA-N 0 0 286.379 2.589 20 10 CFCDRN COc1ccc(CC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC000827167972 623957692 /nfs/dbraw/zinc/95/76/92/623957692.db2.gz VNPYUIUKHAUTFT-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c1 ZINC000827166299 623957756 /nfs/dbraw/zinc/95/77/56/623957756.db2.gz GXLSHILFBSYNKN-PWNZVWSESA-N 0 0 273.376 2.999 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cccc3c2CCOC3)c1 ZINC000827167200 623957759 /nfs/dbraw/zinc/95/77/59/623957759.db2.gz OQRSGBLMPRCHKD-UHFFFAOYSA-N 0 0 297.354 2.703 20 10 CFCDRN O=C(CCCF)NCc1cccc(Br)c1O ZINC000834476042 625689806 /nfs/dbraw/zinc/68/98/06/625689806.db2.gz LPUYYDWVUMRQHA-UHFFFAOYSA-N 0 0 290.132 2.521 20 10 CFCDRN COc1cccc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)c1O ZINC000827303608 623983808 /nfs/dbraw/zinc/98/38/08/623983808.db2.gz LKRWSQAQAHNNKS-ZBEGNZNMSA-N 0 0 277.364 2.843 20 10 CFCDRN CCCCC[C@H](O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000827303770 623985304 /nfs/dbraw/zinc/98/53/04/623985304.db2.gz NKEXRYFHAXZQLP-NHYWBVRUSA-N 0 0 295.379 2.519 20 10 CFCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(O)c(O)c1 ZINC000827316687 623986362 /nfs/dbraw/zinc/98/63/62/623986362.db2.gz HHALLAVBXBNLDJ-SECBINFHSA-N 0 0 291.269 2.693 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000827366106 623993535 /nfs/dbraw/zinc/99/35/35/623993535.db2.gz REJQXAULAWJOFI-NEPJUHHUSA-N 0 0 285.746 2.578 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000827366108 623993598 /nfs/dbraw/zinc/99/35/98/623993598.db2.gz REJQXAULAWJOFI-RYUDHWBXSA-N 0 0 285.746 2.578 20 10 CFCDRN Cc1cncc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000827383212 623996761 /nfs/dbraw/zinc/99/67/61/623996761.db2.gz CAHWHJISVIVUJX-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN C[C@H]1C[C@@H]1c1nnc2ccc(NCc3ccccc3O)nn21 ZINC000827505812 624019292 /nfs/dbraw/zinc/01/92/92/624019292.db2.gz AMVKHNMWTFPFJV-JQWIXIFHSA-N 0 0 295.346 2.565 20 10 CFCDRN C[C@H](O)C1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000827580809 624037323 /nfs/dbraw/zinc/03/73/23/624037323.db2.gz WIMVEHJRYBBXJD-ZETCQYMHSA-N 0 0 276.163 2.702 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@]2(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000827591516 624040734 /nfs/dbraw/zinc/04/07/34/624040734.db2.gz RSWPQJHUUGMJNJ-AWEZNQCLSA-N 0 0 280.324 2.587 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H](c1ccccn1)C1CC1 ZINC000915518476 624074429 /nfs/dbraw/zinc/07/44/29/624074429.db2.gz VQSOVIAXIJMUSV-MRXNPFEDSA-N 0 0 297.358 2.738 20 10 CFCDRN COc1cccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1O ZINC000153670707 624088709 /nfs/dbraw/zinc/08/87/09/624088709.db2.gz JFQJVJAZMJOYSJ-INIZCTEOSA-N 0 0 298.342 2.906 20 10 CFCDRN COc1ccc(N2CCN(Cc3ccc(C)nc3)CC2)cc1 ZINC000153693528 624095994 /nfs/dbraw/zinc/09/59/94/624095994.db2.gz DSYPTOLFKMYJQE-UHFFFAOYSA-N 0 0 297.402 2.721 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1(CO)CCC1 ZINC000827904275 624125882 /nfs/dbraw/zinc/12/58/82/624125882.db2.gz YTDVJCQUKNRFQM-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](C)CO2)cc1 ZINC000888282523 624126191 /nfs/dbraw/zinc/12/61/91/624126191.db2.gz BEZCBZXDRVXRET-BBRMVZONSA-N 0 0 290.407 2.574 20 10 CFCDRN CCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1C ZINC000827930895 624129941 /nfs/dbraw/zinc/12/99/41/624129941.db2.gz UBYOQFJPCUPQHT-SNVBAGLBSA-N 0 0 287.363 2.716 20 10 CFCDRN C[C@@H](NC(=O)CCc1cscn1)c1ccccc1O ZINC000827930596 624130162 /nfs/dbraw/zinc/13/01/62/624130162.db2.gz MAVBVPFUDWOESB-SNVBAGLBSA-N 0 0 276.361 2.659 20 10 CFCDRN COC(=O)CC(C)(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940897 624133335 /nfs/dbraw/zinc/13/33/35/624133335.db2.gz KDZOAJOBAVRNLC-LLVKDONJSA-N 0 0 293.363 2.549 20 10 CFCDRN Cc1nc(C(=O)N[C@H](C)c2ccccc2O)c(C)s1 ZINC000827941169 624133374 /nfs/dbraw/zinc/13/33/74/624133374.db2.gz OMPQLWBTTJGMHB-MRVPVSSYSA-N 0 0 276.361 2.957 20 10 CFCDRN CCc1ccnc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827941731 624133835 /nfs/dbraw/zinc/13/38/35/624133835.db2.gz XHRLUGMJRVUVEF-LLVKDONJSA-N 0 0 270.332 2.841 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000827946694 624134914 /nfs/dbraw/zinc/13/49/14/624134914.db2.gz OWSNIQHQVPOBSC-MFKMUULPSA-N 0 0 263.337 2.527 20 10 CFCDRN CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827956346 624137833 /nfs/dbraw/zinc/13/78/33/624137833.db2.gz KMXWLIHXVLBVQA-MRVPVSSYSA-N 0 0 293.754 2.822 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1ccccc1O ZINC000827956462 624138149 /nfs/dbraw/zinc/13/81/49/624138149.db2.gz MHASHBNANBBIQR-FWDPORAESA-N 0 0 298.180 2.743 20 10 CFCDRN CSC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827955506 624138159 /nfs/dbraw/zinc/13/81/59/624138159.db2.gz ANIQFTLXOCULNM-SECBINFHSA-N 0 0 253.367 2.711 20 10 CFCDRN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)c1ccccc1O ZINC000827956302 624138219 /nfs/dbraw/zinc/13/82/19/624138219.db2.gz JLQZVVPUFKOQMK-SNVBAGLBSA-N 0 0 286.331 2.678 20 10 CFCDRN C[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)c1ccccc1O ZINC000827955888 624138269 /nfs/dbraw/zinc/13/82/69/624138269.db2.gz GAEVETSPMKRUQZ-PXAZEXFGSA-N 0 0 291.391 2.901 20 10 CFCDRN C[C@H](NC(=O)c1[nH]cnc1C(C)(C)C)c1ccccc1O ZINC000827960104 624139384 /nfs/dbraw/zinc/13/93/84/624139384.db2.gz JBZWYZXXFUVWBI-JTQLQIEISA-N 0 0 287.363 2.904 20 10 CFCDRN Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)c1ccccc1O)C2 ZINC000827960548 624140453 /nfs/dbraw/zinc/14/04/53/624140453.db2.gz QVJQGPAPPDVYGL-LRDDRELGSA-N 0 0 297.354 2.882 20 10 CFCDRN C[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1ccccc1O ZINC000827960606 624140665 /nfs/dbraw/zinc/14/06/65/624140665.db2.gz RTRNPKMVFHEWGY-NEPJUHHUSA-N 0 0 299.374 2.662 20 10 CFCDRN CO[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000827960543 624140767 /nfs/dbraw/zinc/14/07/67/624140767.db2.gz QTKBNRKDDIVUON-KWQFWETISA-N 0 0 291.269 2.537 20 10 CFCDRN C[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1ccccc1O ZINC000827964324 624141484 /nfs/dbraw/zinc/14/14/84/624141484.db2.gz KXTDNXFLRAJDOW-NSHDSACASA-N 0 0 299.374 2.971 20 10 CFCDRN CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964791 624141603 /nfs/dbraw/zinc/14/16/03/624141603.db2.gz VQDIEXJGENDWJJ-GUYCJALGSA-N 0 0 299.370 2.827 20 10 CFCDRN CCCc1cc(C(=O)N[C@@H](C)c2ccccc2O)no1 ZINC000827964807 624141637 /nfs/dbraw/zinc/14/16/37/624141637.db2.gz WEMXENPJDUQJNF-JTQLQIEISA-N 0 0 274.320 2.824 20 10 CFCDRN C[C@H](NC(=O)CCc1ccoc1)c1ccccc1O ZINC000827973612 624144235 /nfs/dbraw/zinc/14/42/35/624144235.db2.gz UXTCJFXVDYXMAD-NSHDSACASA-N 0 0 259.305 2.795 20 10 CFCDRN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982523 624146088 /nfs/dbraw/zinc/14/60/88/624146088.db2.gz XJCMUVOIRJZPNO-NSHDSACASA-N 0 0 287.363 2.740 20 10 CFCDRN Cc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000828071702 624165109 /nfs/dbraw/zinc/16/51/09/624165109.db2.gz VLSBNOWIESJOEY-MRXNPFEDSA-N 0 0 296.370 2.760 20 10 CFCDRN C[C@H]1CC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000828183766 624195099 /nfs/dbraw/zinc/19/50/99/624195099.db2.gz HLCUTLDLEBEQCR-QFYYESIMSA-N 0 0 293.338 2.889 20 10 CFCDRN CCO[C@@H]1C[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000916148516 624226439 /nfs/dbraw/zinc/22/64/39/624226439.db2.gz WMXDYELBDUIUSI-JKSUJKDBSA-N 0 0 290.407 2.526 20 10 CFCDRN CC1=C(C(=O)N[C@@H](C)c2ccccc2O)CCN1C(C)C ZINC000828538934 624265099 /nfs/dbraw/zinc/26/50/99/624265099.db2.gz FGKHNKLYKWHJEF-LBPRGKRZSA-N 0 0 288.391 2.958 20 10 CFCDRN C[C@H](NC(=O)CSC(F)F)c1ccc(N(C)C)cc1 ZINC000828861939 624315529 /nfs/dbraw/zinc/31/55/29/624315529.db2.gz RPOUKWSJQBGVJR-VIFPVBQESA-N 0 0 288.363 2.886 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CC=CCC1 ZINC000828884506 624320897 /nfs/dbraw/zinc/32/08/97/624320897.db2.gz DOGBLRGHRIXXJO-SJCJKPOMSA-N 0 0 289.375 2.891 20 10 CFCDRN C[C@@H]1CCC[C@H](C2CN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000829119596 624377592 /nfs/dbraw/zinc/37/75/92/624377592.db2.gz OQECZDPMAHKWHH-NEPJUHHUSA-N 0 0 289.375 2.996 20 10 CFCDRN COC(=O)c1cnc(SC2CCSCC2)s1 ZINC000917779092 624384191 /nfs/dbraw/zinc/38/41/91/624384191.db2.gz XWUATWUFGDCCHD-UHFFFAOYSA-N 0 0 275.420 2.917 20 10 CFCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cnn(C)c2)c1 ZINC000917829317 624389441 /nfs/dbraw/zinc/38/94/41/624389441.db2.gz HFFSDOJRESWLDR-FPLPWBNLSA-N 0 0 269.348 2.713 20 10 CFCDRN COc1cc(-c2nc3c(cccc3F)[nH]2)cc(O)c1O ZINC000154743246 624445329 /nfs/dbraw/zinc/44/53/29/624445329.db2.gz YTYOXAVBAAKGKC-UHFFFAOYSA-N 0 0 274.251 2.789 20 10 CFCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000918681722 624462376 /nfs/dbraw/zinc/46/23/76/624462376.db2.gz LSKHYKKDYHDLFF-JTQLQIEISA-N 0 0 280.343 2.909 20 10 CFCDRN CC[C@H](C)C(=O)CSc1ncc(C(=O)OC)s1 ZINC000829677984 624505530 /nfs/dbraw/zinc/50/55/30/624505530.db2.gz USITZAVEILETGA-ZETCQYMHSA-N 0 0 273.379 2.637 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000829846016 624565229 /nfs/dbraw/zinc/56/52/29/624565229.db2.gz RKRNKVPSDIYARS-RYUDHWBXSA-N 0 0 293.388 2.818 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000829846019 624565529 /nfs/dbraw/zinc/56/55/29/624565529.db2.gz RKRNKVPSDIYARS-VXGBXAGGSA-N 0 0 293.388 2.818 20 10 CFCDRN CCC(CC)CNC(=O)NCc1c(O)cccc1F ZINC000919598217 624590656 /nfs/dbraw/zinc/59/06/56/624590656.db2.gz UEIIOXCJJKUFIQ-UHFFFAOYSA-N 0 0 268.332 2.767 20 10 CFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)[C@@H]1CCCO1 ZINC000830140402 624640505 /nfs/dbraw/zinc/64/05/05/624640505.db2.gz CBFRJZCCXZVLJB-WFASDCNBSA-N 0 0 277.364 2.556 20 10 CFCDRN O=C(C[C@H]1CCCC1(F)F)NCc1c(O)cccc1F ZINC000830179570 624658660 /nfs/dbraw/zinc/65/86/60/624658660.db2.gz ASZQBEPAKSHTIP-SECBINFHSA-N 0 0 287.281 2.973 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000830179920 624658681 /nfs/dbraw/zinc/65/86/81/624658681.db2.gz DROQFKJVZIRITG-NHYWBVRUSA-N 0 0 295.354 2.599 20 10 CFCDRN CC(C)[C@H]1C[C@@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000830179921 624659537 /nfs/dbraw/zinc/65/95/37/624659537.db2.gz DROQFKJVZIRITG-XHDPSFHLSA-N 0 0 295.354 2.599 20 10 CFCDRN O=C(CC[C@H]1CC1(Cl)Cl)NCc1ccccc1O ZINC000830526224 624772052 /nfs/dbraw/zinc/77/20/52/624772052.db2.gz GHBMACHLYAJSEZ-JTQLQIEISA-N 0 0 288.174 2.982 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000830559728 624780277 /nfs/dbraw/zinc/78/02/77/624780277.db2.gz UJONNKRYCBRKTO-CHWSQXEVSA-N 0 0 289.375 2.930 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000830580034 624783311 /nfs/dbraw/zinc/78/33/11/624783311.db2.gz OEKHQGXCGJZZAE-JIMOISOXSA-N 0 0 262.309 2.579 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCCCC2(F)F)c(O)c1 ZINC000831032989 624954753 /nfs/dbraw/zinc/95/47/53/624954753.db2.gz NUIGVENBNSSKBZ-LBPRGKRZSA-N 0 0 299.317 2.843 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(O)cc1 ZINC000180162487 625001016 /nfs/dbraw/zinc/00/10/16/625001016.db2.gz WEMBYEPLNFOPBV-DHZHZOJOSA-N 0 0 283.327 2.770 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C)c1 ZINC000170878461 625006565 /nfs/dbraw/zinc/00/65/65/625006565.db2.gz JHRQKIZDUUKGLB-JTQLQIEISA-N 0 0 280.368 2.807 20 10 CFCDRN C[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180590905 625029407 /nfs/dbraw/zinc/02/94/07/625029407.db2.gz LFTYGKCIYQJWOQ-IOCXFXADSA-N 0 0 261.321 2.512 20 10 CFCDRN C[C@@H](c1cccnc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718605 625035688 /nfs/dbraw/zinc/03/56/88/625035688.db2.gz CYVVAXLAZDOVPD-WMADIVHISA-N 0 0 298.342 2.726 20 10 CFCDRN Cc1ncccc1CN(C)c1ccc2c(c1)OCO2 ZINC000180759495 625038047 /nfs/dbraw/zinc/03/80/47/625038047.db2.gz LWWDSLWLZDWEFP-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN Cc1ccccc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180888455 625046525 /nfs/dbraw/zinc/04/65/25/625046525.db2.gz KVCUFGYVRPGMRN-VQHVLOKHSA-N 0 0 297.354 2.778 20 10 CFCDRN Cc1occc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180971202 625053240 /nfs/dbraw/zinc/05/32/40/625053240.db2.gz VHAHDLGFABTWQP-GQCTYLIASA-N 0 0 287.315 2.671 20 10 CFCDRN CCOc1ccc(N(C)CCCS(=O)(=O)C(C)C)cc1 ZINC000121400460 625056419 /nfs/dbraw/zinc/05/64/19/625056419.db2.gz WOYVBDDSQMSWSX-UHFFFAOYSA-N 0 0 299.436 2.735 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCC(C)(C)C)ccc21 ZINC000069725785 625212454 /nfs/dbraw/zinc/21/24/54/625212454.db2.gz GIMPUJUUSNBESO-UHFFFAOYSA-N 0 0 289.423 2.914 20 10 CFCDRN CC1(C2CC2)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000832214811 625244912 /nfs/dbraw/zinc/24/49/12/625244912.db2.gz LSUVXUNXFYBHSM-UHFFFAOYSA-N 0 0 293.338 2.889 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(F)cc1[O-] ZINC000185460077 625729561 /nfs/dbraw/zinc/72/95/61/625729561.db2.gz WRUHKPJGLRFOHH-FUPATZSFSA-N 0 0 251.301 2.502 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000185523273 625734211 /nfs/dbraw/zinc/73/42/11/625734211.db2.gz ZIJGYRYOIKOCIW-CHWSQXEVSA-N 0 0 297.370 2.625 20 10 CFCDRN CN(C)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000082609143 625758511 /nfs/dbraw/zinc/75/85/11/625758511.db2.gz RXAQLJAHBYZSFW-UHFFFAOYSA-N 0 0 250.342 2.777 20 10 CFCDRN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCS1 ZINC000834662269 625765921 /nfs/dbraw/zinc/76/59/21/625765921.db2.gz ZYNZKDBCGOQVIO-FTXDBJGXSA-N 0 0 293.388 2.511 20 10 CFCDRN COc1cccc(NCc2ccc(N(C)C)cc2)n1 ZINC000083422296 625845955 /nfs/dbraw/zinc/84/59/55/625845955.db2.gz GQGDHKJVFWTJPI-UHFFFAOYSA-N 0 0 257.337 2.768 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834876729 625906557 /nfs/dbraw/zinc/90/65/57/625906557.db2.gz LVKLSZLQSGWMET-NXEZZACHSA-N 0 0 282.340 2.501 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000834895301 625912891 /nfs/dbraw/zinc/91/28/91/625912891.db2.gz ASYXNKGRZYNQSC-ABAIWWIYSA-N 0 0 291.370 2.937 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000834905186 625917328 /nfs/dbraw/zinc/91/73/28/625917328.db2.gz RVLYEVUZKUQFAO-FTGAXOIBSA-N 0 0 294.351 2.765 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000834905905 625917859 /nfs/dbraw/zinc/91/78/59/625917859.db2.gz LZVWGYYILKOGPG-VDDIYKPWSA-N 0 0 255.745 2.610 20 10 CFCDRN COc1cccnc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834906951 625919257 /nfs/dbraw/zinc/91/92/57/625919257.db2.gz UXPQZQJMQQMLDD-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816590929 625945723 /nfs/dbraw/zinc/94/57/23/625945723.db2.gz PBBWRBOJXICUMH-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(N)cc1 ZINC000851633496 634465725 /nfs/dbraw/zinc/46/57/25/634465725.db2.gz LLNRWGREXFCQEG-UHFFFAOYSA-N 0 0 270.336 2.522 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(C)c2C)c1 ZINC000186368862 626038028 /nfs/dbraw/zinc/03/80/28/626038028.db2.gz DZUJBUUGDDIDLL-SECBINFHSA-N 0 0 261.325 2.616 20 10 CFCDRN CCC(C)(CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186405121 626043108 /nfs/dbraw/zinc/04/31/08/626043108.db2.gz FSWJHEIFWUCGMX-LLVKDONJSA-N 0 0 279.380 2.971 20 10 CFCDRN CCO[C@H](CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773011243 626095384 /nfs/dbraw/zinc/09/53/84/626095384.db2.gz DWBGBNGOMBDHCP-SWLSCSKDSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1nc2n(n1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921821093 626147187 /nfs/dbraw/zinc/14/71/87/626147187.db2.gz NGQLSZDLESLQLD-HNNXBMFYSA-N 0 0 298.390 2.536 20 10 CFCDRN C[C@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000922111997 626210197 /nfs/dbraw/zinc/21/01/97/626210197.db2.gz BTHRYKCNKGGYMX-VHSXEESVSA-N 0 0 266.316 2.519 20 10 CFCDRN CC(C)(/C=C\Cl)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000922648452 626332021 /nfs/dbraw/zinc/33/20/21/626332021.db2.gz KBGJABZBUZWAJO-WAYWQWQTSA-N 0 0 270.716 2.921 20 10 CFCDRN CN(C)c1ccc(/C=C\CNc2nnc(C3CC3)n2C)cc1 ZINC000922662445 626335093 /nfs/dbraw/zinc/33/50/93/626335093.db2.gz KZXAVWMSNHYFNR-PLNGDYQASA-N 0 0 297.406 2.884 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000922843366 626378341 /nfs/dbraw/zinc/37/83/41/626378341.db2.gz QQKHWEVFJHXPHW-KOLCDFICSA-N 0 0 282.365 2.674 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CCC2)cc1OC ZINC000851735042 634499683 /nfs/dbraw/zinc/49/96/83/634499683.db2.gz NWUKVIHERYIHAP-INIZCTEOSA-N 0 0 279.380 2.955 20 10 CFCDRN CCc1onc(C)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922981806 626439217 /nfs/dbraw/zinc/43/92/17/626439217.db2.gz LBYAKZJOJHBFKP-UHFFFAOYSA-N 0 0 282.290 2.819 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923032189 626444644 /nfs/dbraw/zinc/44/46/44/626444644.db2.gz VGCPNCSTKOYQSS-BJOHPYRUSA-N 0 0 297.757 2.986 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC1CCC(F)CC1 ZINC000923044503 626446540 /nfs/dbraw/zinc/44/65/40/626446540.db2.gz MQWQKDXWPSNSKN-UHFFFAOYSA-N 0 0 298.333 2.859 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923253806 626459489 /nfs/dbraw/zinc/45/94/89/626459489.db2.gz KXRWFNBTDXLNTJ-WFASDCNBSA-N 0 0 290.407 2.604 20 10 CFCDRN CCC[C@@H](CNC(=O)NCc1c(O)cccc1F)OCC ZINC000923395835 626470584 /nfs/dbraw/zinc/47/05/84/626470584.db2.gz PQXRTNQEYMODGR-NSHDSACASA-N 0 0 298.358 2.536 20 10 CFCDRN CC(C)CC1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000187182260 626478206 /nfs/dbraw/zinc/47/82/06/626478206.db2.gz XGSJSGGWPPGJHX-UHFFFAOYSA-N 0 0 263.337 2.654 20 10 CFCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCC1 ZINC000838156292 626487468 /nfs/dbraw/zinc/48/74/68/626487468.db2.gz DNGCLVSEMCXAGC-UHFFFAOYSA-N 0 0 292.331 2.650 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cnc(-c2ccco2)s1 ZINC000788101109 626492578 /nfs/dbraw/zinc/49/25/78/626492578.db2.gz ZWJCFXAPQTZRHR-XBXARRHUSA-N 0 0 294.382 2.892 20 10 CFCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000838514086 626499976 /nfs/dbraw/zinc/49/99/76/626499976.db2.gz FHYRQJLAUYEXGC-UWVGGRQHSA-N 0 0 285.438 2.675 20 10 CFCDRN Cc1cc(CNCc2ccc(N(C)C)cc2C)no1 ZINC000838951024 626515253 /nfs/dbraw/zinc/51/52/53/626515253.db2.gz POFAJHGWESFBBB-UHFFFAOYSA-N 0 0 259.353 2.647 20 10 CFCDRN COc1cccc(O)c1CN1CC(OC)(c2ccccc2)C1 ZINC000839100395 626524726 /nfs/dbraw/zinc/52/47/26/626524726.db2.gz VXKSJPSYWSMDMW-UHFFFAOYSA-N 0 0 299.370 2.758 20 10 CFCDRN CCOC1(C)CN(Cc2cc(Cl)ccc2O)C1 ZINC000839142300 626528670 /nfs/dbraw/zinc/52/86/70/626528670.db2.gz HFCAZZAHBLXJCJ-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187672 626530176 /nfs/dbraw/zinc/53/01/76/626530176.db2.gz LSWPMOVCDBZPEV-SKDRFNHKSA-N 0 0 285.746 2.796 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886532568 626539497 /nfs/dbraw/zinc/53/94/97/626539497.db2.gz LFEDQSVAKBZVSC-CMPLNLGQSA-N 0 0 255.333 2.853 20 10 CFCDRN O=C(NC1CCC(OC(F)F)CC1)C1=CC(=O)CS1 ZINC000839789324 626555586 /nfs/dbraw/zinc/55/55/86/626555586.db2.gz YIKJFPQQUJRDDD-UHFFFAOYSA-N 0 0 291.319 2.734 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757636046 626556955 /nfs/dbraw/zinc/55/69/55/626556955.db2.gz FCDGSNMDNQGBOM-SDDRHHMPSA-N 0 0 294.351 2.766 20 10 CFCDRN CN(C)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1 ZINC000757718035 626560524 /nfs/dbraw/zinc/56/05/24/626560524.db2.gz MSLBYHXYWDORED-UHFFFAOYSA-N 0 0 290.407 2.923 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CC(C)(C)c3ccccc32)cn1 ZINC000757772566 626562529 /nfs/dbraw/zinc/56/25/29/626562529.db2.gz OVGDPRQMDIQALQ-CMDGGOBGSA-N 0 0 281.359 2.758 20 10 CFCDRN COCCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000759097668 626628417 /nfs/dbraw/zinc/62/84/17/626628417.db2.gz WPRYKHPVVWFGIJ-UHFFFAOYSA-N 0 0 292.423 2.740 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000759563813 626672162 /nfs/dbraw/zinc/67/21/62/626672162.db2.gz ZABXMTNQMABLAU-VHSXEESVSA-N 0 0 285.438 2.581 20 10 CFCDRN CC[C@]1(C)NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761582013 626848458 /nfs/dbraw/zinc/84/84/58/626848458.db2.gz YWMDQFJAVHBKQH-ZBEGNZNMSA-N 0 0 289.379 2.534 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCSC1 ZINC000762104096 626891323 /nfs/dbraw/zinc/89/13/23/626891323.db2.gz VSGFFRPKOLQBDZ-AWEZNQCLSA-N 0 0 292.448 2.854 20 10 CFCDRN Cn1ccnc1-c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762115784 626892708 /nfs/dbraw/zinc/89/27/08/626892708.db2.gz UJGDPBWBZDFHLC-UHFFFAOYSA-N 0 0 291.314 2.928 20 10 CFCDRN O=C(N[C@H](C1CC1)C1CCC1)C1=CC(=O)CS1 ZINC000839794218 626903147 /nfs/dbraw/zinc/90/31/47/626903147.db2.gz ZTOIZTZWWLVOKH-LBPRGKRZSA-N 0 0 251.351 2.762 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C=C2CCCC2)c1 ZINC000762807192 626939827 /nfs/dbraw/zinc/93/98/27/626939827.db2.gz WHAWBTIYNBOVSJ-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN CON(C)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000763261061 626974310 /nfs/dbraw/zinc/97/43/10/626974310.db2.gz PEZQAGOQDJCTDZ-UHFFFAOYSA-N 0 0 274.411 2.553 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC(F)(F)C2)cc1 ZINC000763283234 626976368 /nfs/dbraw/zinc/97/63/68/626976368.db2.gz HZNPJEASILXPEJ-GFCCVEGCSA-N 0 0 297.349 2.740 20 10 CFCDRN COc1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000763507701 626993259 /nfs/dbraw/zinc/99/32/59/626993259.db2.gz UIQOKFGJPUFAMD-UHFFFAOYSA-N 0 0 275.327 2.907 20 10 CFCDRN Cc1c[nH]nc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000763788577 627013144 /nfs/dbraw/zinc/01/31/44/627013144.db2.gz RFJZGNOFIZONPK-UHFFFAOYSA-N 0 0 295.346 2.773 20 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277.364 2.604 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780457475 628466144 /nfs/dbraw/zinc/46/61/44/628466144.db2.gz BBEBFEQLEIUVJD-FVQBIDKESA-N 0 0 289.375 2.556 20 10 CFCDRN COCC[C@H](NC(=O)C1=CC(=O)CS1)c1ccco1 ZINC000780809373 628498809 /nfs/dbraw/zinc/49/88/09/628498809.db2.gz RYSSCDBLKQWLPN-JTQLQIEISA-N 0 0 281.333 2.554 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(C(F)F)CC2)c(O)c1O ZINC000780983781 628510508 /nfs/dbraw/zinc/51/05/08/628510508.db2.gz PYXWRNCONCHLCO-UHFFFAOYSA-N 0 0 285.290 2.524 20 10 CFCDRN CC/C(C)=C(\C)C(=O)NCc1cccc(OC)c1O ZINC000780983234 628510825 /nfs/dbraw/zinc/51/08/25/628510825.db2.gz CAJBZXNLBKWRBZ-ZHACJKMWSA-N 0 0 263.337 2.763 20 10 CFCDRN Cc1ccc(C(=O)Nc2c(C)cccc2O)c(O)c1O ZINC000781012903 628512748 /nfs/dbraw/zinc/51/27/48/628512748.db2.gz AZIIAVVLKAJZCM-UHFFFAOYSA-N 0 0 273.288 2.673 20 10 CFCDRN CC1(C)CC(CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000781846959 628586163 /nfs/dbraw/zinc/58/61/63/628586163.db2.gz YVJAJCQONIEWHV-GQCTYLIASA-N 0 0 275.348 2.663 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000782015739 628597069 /nfs/dbraw/zinc/59/70/69/628597069.db2.gz VNFYADYSSLWGTE-GFCCVEGCSA-N 0 0 277.364 2.583 20 10 CFCDRN O=C(Nc1ccc(O)cc1F)C1=CC(=O)CS1 ZINC000782853624 628660639 /nfs/dbraw/zinc/66/06/39/628660639.db2.gz GSCSOQOMIFPNMT-UHFFFAOYSA-N 0 0 253.254 2.551 20 10 CFCDRN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cc(F)cc(F)c1[O-] ZINC000783313500 628700048 /nfs/dbraw/zinc/70/00/48/628700048.db2.gz BDUASWOZASHNHK-SNVBAGLBSA-N 0 0 284.350 2.805 20 10 CFCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O ZINC000783524238 628716915 /nfs/dbraw/zinc/71/69/15/628716915.db2.gz OLNVUQJKAXPOJN-NSHDSACASA-N 0 0 297.358 2.756 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCOC(F)F)CCC2 ZINC000852172466 634680018 /nfs/dbraw/zinc/68/00/18/634680018.db2.gz JSFRRIHVXXETGD-UHFFFAOYSA-N 0 0 287.306 2.696 20 10 CFCDRN CC(C)CC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784062841 628770658 /nfs/dbraw/zinc/77/06/58/628770658.db2.gz YDLZJRIWSHVSIL-UHFFFAOYSA-N 0 0 294.347 2.896 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC000784438674 628817251 /nfs/dbraw/zinc/81/72/51/628817251.db2.gz RJQFKHIQVNEEAS-JSGCOSHPSA-N 0 0 277.364 2.556 20 10 CFCDRN C[C@H](CC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784788206 628842242 /nfs/dbraw/zinc/84/22/42/628842242.db2.gz RDKWFEMDWIBVBS-SNVBAGLBSA-N 0 0 294.347 2.896 20 10 CFCDRN c1csc(SC2CCC3(CC2)OCCO3)n1 ZINC000785034955 628861113 /nfs/dbraw/zinc/86/11/13/628861113.db2.gz GKNVZBPBTOEGEI-UHFFFAOYSA-N 0 0 257.380 2.921 20 10 CFCDRN CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000785607771 628898413 /nfs/dbraw/zinc/89/84/13/628898413.db2.gz SUCGJBHOHNWIPN-UHFFFAOYSA-N 0 0 294.351 2.595 20 10 CFCDRN CN(C)c1ccc(CN2CCN(C)c3ncccc32)cc1 ZINC000785765230 628912142 /nfs/dbraw/zinc/91/21/42/628912142.db2.gz GCGRYVJPRNUVES-UHFFFAOYSA-N 0 0 282.391 2.604 20 10 CFCDRN CN(Cc1ccccc1O)c1ccnc2ccncc21 ZINC000786793088 628979522 /nfs/dbraw/zinc/97/95/22/628979522.db2.gz MOBQQZWOFHOWLX-UHFFFAOYSA-N 0 0 265.316 2.972 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2CCCO2)cc1OC ZINC000787187102 628997884 /nfs/dbraw/zinc/99/78/84/628997884.db2.gz NVTNPEGIKMFUTA-ZDUSSCGKSA-N 0 0 265.353 2.709 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)O2)c1 ZINC000787443929 629013711 /nfs/dbraw/zinc/01/37/11/629013711.db2.gz DJDXHIAJLKDNLU-YGRLFVJLSA-N 0 0 293.363 2.536 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(C)(C)O2)c1 ZINC000787443923 629013713 /nfs/dbraw/zinc/01/37/13/629013713.db2.gz DJDXHIAJLKDNLU-HZMBPMFUSA-N 0 0 293.363 2.536 20 10 CFCDRN Cc1cccnc1C(F)(F)C(=O)NCc1ccccc1O ZINC000787447451 629013733 /nfs/dbraw/zinc/01/37/33/629013733.db2.gz ZXEPMIDDZZVEIL-UHFFFAOYSA-N 0 0 292.285 2.504 20 10 CFCDRN Cc1cc(C(=O)OC[C@H](C)O)c(C)n1-c1ccccc1C ZINC000787563981 629018495 /nfs/dbraw/zinc/01/84/95/629018495.db2.gz NBMLWHAUGLXOLA-ZDUSSCGKSA-N 0 0 287.359 2.940 20 10 CFCDRN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000788269057 629052988 /nfs/dbraw/zinc/05/29/88/629052988.db2.gz KYEHQXDYOCOJTD-XCBNKYQSSA-N 0 0 276.163 2.654 20 10 CFCDRN C[C@H]([NH2+]CCOCC(F)F)c1cc(F)cc(F)c1[O-] ZINC000788259714 629053936 /nfs/dbraw/zinc/05/39/36/629053936.db2.gz OQTQVQMIDDTRGG-ZETCQYMHSA-N 0 0 281.249 2.603 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(-c3cnn(C)c3)nn2)c1 ZINC000788404525 629063815 /nfs/dbraw/zinc/06/38/15/629063815.db2.gz VIPWPDOWYUZDKK-UHFFFAOYSA-N 0 0 295.346 2.503 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]1C ZINC000805866279 629065049 /nfs/dbraw/zinc/06/50/49/629065049.db2.gz JIDXDBQFPOAQJW-XHDPSFHLSA-N 0 0 275.396 2.659 20 10 CFCDRN CCn1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1=O ZINC000789753151 629185563 /nfs/dbraw/zinc/18/55/63/629185563.db2.gz ZZKLUTTVXSEYCE-UHFFFAOYSA-N 0 0 292.766 2.517 20 10 CFCDRN Oc1cccc(Cl)c1CN1C[C@@H](O)Cc2ccccc21 ZINC000789761446 629185923 /nfs/dbraw/zinc/18/59/23/629185923.db2.gz FUQUTRXPOFFBCA-LBPRGKRZSA-N 0 0 289.762 2.969 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C(C)(C)C(=O)[O-])cc1F ZINC000789897630 629195460 /nfs/dbraw/zinc/19/54/60/629195460.db2.gz MLKJQRJATPGHOV-UHFFFAOYSA-N 0 0 282.359 2.625 20 10 CFCDRN CS(=O)(=O)c1ccc(CSc2nccs2)cc1 ZINC000789915856 629196433 /nfs/dbraw/zinc/19/64/33/629196433.db2.gz VOEZUIBKGHRNHO-UHFFFAOYSA-N 0 0 285.415 2.839 20 10 CFCDRN CN(Cc1ccccc1F)C(=O)c1c(F)ccc(O)c1O ZINC000789958391 629199519 /nfs/dbraw/zinc/19/95/19/629199519.db2.gz DZNYOUJNHRUFFH-UHFFFAOYSA-N 0 0 293.269 2.648 20 10 CFCDRN CCCCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000789954073 629199596 /nfs/dbraw/zinc/19/95/96/629199596.db2.gz BJFYSWFJWVAJBK-SECBINFHSA-N 0 0 269.316 2.936 20 10 CFCDRN Cc1ccc(CN(C)C(=O)c2c(F)ccc(O)c2O)s1 ZINC000789970778 629200846 /nfs/dbraw/zinc/20/08/46/629200846.db2.gz IJJKAQOLQQQSIP-UHFFFAOYSA-N 0 0 295.335 2.879 20 10 CFCDRN O=C1CCN1c1cccc(NCc2ccccc2O)c1 ZINC000790486552 629242795 /nfs/dbraw/zinc/24/27/95/629242795.db2.gz QHCIVNWXZHTDRY-UHFFFAOYSA-N 0 0 268.316 2.741 20 10 CFCDRN Cc1ccc(C(=O)OCCCC2CCOCC2)c(O)c1O ZINC000790651311 629254660 /nfs/dbraw/zinc/25/46/60/629254660.db2.gz VBQVCBZDMUQCPM-UHFFFAOYSA-N 0 0 294.347 2.770 20 10 CFCDRN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(O)c1O ZINC000790792527 629262855 /nfs/dbraw/zinc/26/28/55/629262855.db2.gz FTFDESLLCXEEHY-GRYCIOLGSA-N 0 0 275.348 2.796 20 10 CFCDRN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(O)c1O ZINC000790792531 629262988 /nfs/dbraw/zinc/26/29/88/629262988.db2.gz FTFDESLLCXEEHY-QJPTWQEYSA-N 0 0 275.348 2.796 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1Cc1ccccc1 ZINC000790842737 629269107 /nfs/dbraw/zinc/26/91/07/629269107.db2.gz JFUDJFOVQMKCKU-ZDUSSCGKSA-N 0 0 283.327 2.555 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000790949834 629273734 /nfs/dbraw/zinc/27/37/34/629273734.db2.gz PMSWXSSICMODCV-CHWSQXEVSA-N 0 0 298.789 2.901 20 10 CFCDRN C[C@@H](Cc1cnccn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962170 629274779 /nfs/dbraw/zinc/27/47/79/629274779.db2.gz HLBFGAWFXDWSIY-VIFPVBQESA-N 0 0 295.745 2.696 20 10 CFCDRN CO[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790970349 629275251 /nfs/dbraw/zinc/27/52/51/629275251.db2.gz GJGBFFLNIFJGJN-GFCCVEGCSA-N 0 0 275.751 2.945 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c(O)c1O ZINC000791056544 629284245 /nfs/dbraw/zinc/28/42/45/629284245.db2.gz FZUDAJYNTOYUGU-UHFFFAOYSA-N 0 0 297.314 2.843 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCOCC2(C)C)cc1 ZINC000835024909 629319989 /nfs/dbraw/zinc/31/99/89/629319989.db2.gz ASXPARDHIARFCY-AATRIKPKSA-N 0 0 274.408 2.877 20 10 CFCDRN Cc1cnc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000835060968 629364322 /nfs/dbraw/zinc/36/43/22/629364322.db2.gz HJJYGIVJNIFNAU-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN CC1(F)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000792029685 629390550 /nfs/dbraw/zinc/39/05/50/629390550.db2.gz YQTOWBRWVLTTSF-UHFFFAOYSA-N 0 0 291.370 2.540 20 10 CFCDRN C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792059730 629394549 /nfs/dbraw/zinc/39/45/49/629394549.db2.gz ULPCIZOEYOKZBM-GHMZBOCLSA-N 0 0 279.359 2.584 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc(C)n1 ZINC000792096579 629397005 /nfs/dbraw/zinc/39/70/05/629397005.db2.gz IRLLRCOLLHNIDG-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN Cc1noc([C@H](C)NCc2cc(Cl)cc(C)c2O)n1 ZINC000792176760 629406705 /nfs/dbraw/zinc/40/67/05/629406705.db2.gz LFKRYWWWHRXBJQ-QMMMGPOBSA-N 0 0 281.743 2.896 20 10 CFCDRN CN(C)c1ccc(CN(Cc2ncccn2)C2CC2)cc1 ZINC000792205924 629411145 /nfs/dbraw/zinc/41/11/45/629411145.db2.gz BKPOEJKOQQZWNW-UHFFFAOYSA-N 0 0 282.391 2.707 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)c(O)c1 ZINC000792778051 629451555 /nfs/dbraw/zinc/45/15/55/629451555.db2.gz SRIBQCILHCOFSG-FZMZJTMJSA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C2CC2)O1 ZINC000793217077 629507088 /nfs/dbraw/zinc/50/70/88/629507088.db2.gz CLAHYJWMRIHKKJ-SJKOYZFVSA-N 0 0 292.398 2.891 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ncccc1O ZINC000793256241 629515689 /nfs/dbraw/zinc/51/56/89/629515689.db2.gz LLLRRBUMSHREMO-UHFFFAOYSA-N 0 0 282.702 2.575 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1(O)CCC1 ZINC000793620079 629580228 /nfs/dbraw/zinc/58/02/28/629580228.db2.gz KMHCNHFLRHDCFI-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000793655508 629582672 /nfs/dbraw/zinc/58/26/72/629582672.db2.gz HBWISNGJTRJPGE-HNNXBMFYSA-N 0 0 285.318 2.830 20 10 CFCDRN CC[C@@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccccc1O ZINC000793658302 629583502 /nfs/dbraw/zinc/58/35/02/629583502.db2.gz RLOQRYHMHWCGKO-HIFRSBDPSA-N 0 0 293.407 2.928 20 10 CFCDRN C[C@@H]1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000794261201 629628159 /nfs/dbraw/zinc/62/81/59/629628159.db2.gz TUKSIOYGBXLGQX-QGSKFPASSA-N 0 0 275.348 2.663 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2CCC[C@@H]2C)c(O)c1 ZINC000794378073 629641345 /nfs/dbraw/zinc/64/13/45/629641345.db2.gz OXVDCCDLDBKEOB-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN CCOc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1 ZINC000794375315 629641391 /nfs/dbraw/zinc/64/13/91/629641391.db2.gz RHZLAPZIYIBXSV-UHFFFAOYSA-N 0 0 274.368 2.963 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc(Cl)c2)c(O)c1 ZINC000794383500 629642050 /nfs/dbraw/zinc/64/20/50/629642050.db2.gz QAHGHYSJQUOCRS-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](C)C(C)(C)C)c(O)c1 ZINC000794382096 629642084 /nfs/dbraw/zinc/64/20/84/629642084.db2.gz XPHUQSPHBISLOI-SNVBAGLBSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H](F)c2ccccc2)c(O)c1 ZINC000794379367 629642207 /nfs/dbraw/zinc/64/22/07/629642207.db2.gz MTPQCQGTKBWUAI-HNNXBMFYSA-N 0 0 289.306 2.728 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C)cc2C)c(O)c1 ZINC000794388976 629642849 /nfs/dbraw/zinc/64/28/49/629642849.db2.gz FBNQAUGZTHDERL-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(F)ccc2C)c(O)c1 ZINC000794388517 629642951 /nfs/dbraw/zinc/64/29/51/629642951.db2.gz XJJJAXCNEROACB-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN CC(F)(F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000808458178 629684825 /nfs/dbraw/zinc/68/48/25/629684825.db2.gz AEIIWTOZDZPJFC-UHFFFAOYSA-N 0 0 282.334 2.948 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccnc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794835602 629692543 /nfs/dbraw/zinc/69/25/43/629692543.db2.gz MGWRPVJRNJLXLT-SECBINFHSA-N 0 0 291.282 2.685 20 10 CFCDRN COc1ccc(CNc2cncc(SC)n2)c(O)c1 ZINC000795284166 629757192 /nfs/dbraw/zinc/75/71/92/629757192.db2.gz JCGMCDLRCCWXRC-UHFFFAOYSA-N 0 0 277.349 2.525 20 10 CFCDRN COc1ccc(CNc2nc(C)nc(C)c2C)c(O)c1 ZINC000795284878 629757284 /nfs/dbraw/zinc/75/72/84/629757284.db2.gz MKHSRGXHFBYOCJ-UHFFFAOYSA-N 0 0 273.336 2.728 20 10 CFCDRN CCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000795831009 629838417 /nfs/dbraw/zinc/83/84/17/629838417.db2.gz YHYOTSAXRKBVHW-UHFFFAOYSA-N 0 0 289.354 2.712 20 10 CFCDRN CCCCOCCN(C)c1ccc2c(c1)OCO2 ZINC000121421541 629866429 /nfs/dbraw/zinc/86/64/29/629866429.db2.gz NILZSEDNVUTZKE-UHFFFAOYSA-N 0 0 251.326 2.668 20 10 CFCDRN COC[C@H](O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796505882 629926990 /nfs/dbraw/zinc/92/69/90/629926990.db2.gz ULALNPATGZZINY-OAHLLOKOSA-N 0 0 281.396 2.555 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000796696054 629952067 /nfs/dbraw/zinc/95/20/67/629952067.db2.gz QUGATFBMDNUFPB-LSDHHAIUSA-N 0 0 280.387 2.912 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1ccc(F)cc1[O-] ZINC000796702321 629952989 /nfs/dbraw/zinc/95/29/89/629952989.db2.gz LZHBHPVXYUUFQB-DZGCQCFKSA-N 0 0 299.386 2.606 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1ccc(F)cc1[O-] ZINC000796722633 629954992 /nfs/dbraw/zinc/95/49/92/629954992.db2.gz GYGTVDKMVGPZMV-GXTWGEPZSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+]C1(COC)CC1)c1ccc(F)cc1[O-] ZINC000796890898 629985217 /nfs/dbraw/zinc/98/52/17/629985217.db2.gz PSYIRBWTPBSNFE-LBPRGKRZSA-N 0 0 253.317 2.751 20 10 CFCDRN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796934981 629991042 /nfs/dbraw/zinc/99/10/42/629991042.db2.gz KTUMMRDPEMUBGT-SQWLQELKSA-N 0 0 297.370 2.766 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000797065612 630011978 /nfs/dbraw/zinc/01/19/78/630011978.db2.gz MOGZGKNIORCXCZ-KWBADKCTSA-N 0 0 295.404 2.581 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000797129618 630022706 /nfs/dbraw/zinc/02/27/06/630022706.db2.gz OKNQHUYIXXZIRN-GBIKHYSHSA-N 0 0 263.337 2.628 20 10 CFCDRN CC(C)CN(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000797440822 630066703 /nfs/dbraw/zinc/06/67/03/630066703.db2.gz BIJCYTMASGLTCV-UHFFFAOYSA-N 0 0 277.412 2.892 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)(CC)OC ZINC000797714305 630098111 /nfs/dbraw/zinc/09/81/11/630098111.db2.gz GWCRPYAQZNDTMU-KRWDZBQOSA-N 0 0 292.423 2.916 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852595246 634789011 /nfs/dbraw/zinc/78/90/11/634789011.db2.gz HNAWBOQDGJPRFM-HNNXBMFYSA-N 0 0 275.396 2.740 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)NCCF)cc2)CC1 ZINC000798062589 630146007 /nfs/dbraw/zinc/14/60/07/630146007.db2.gz BFNMDBWVRRWVQX-UHFFFAOYSA-N 0 0 293.386 2.692 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000798104948 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ZINC000806564622 630812748 /nfs/dbraw/zinc/81/27/48/630812748.db2.gz FAOJEEDKLDWPLO-KTAJNNJTSA-N 0 0 278.280 2.522 20 10 CFCDRN COC(=O)C1(CSc2nccs2)CCCC1 ZINC000806587840 630818448 /nfs/dbraw/zinc/81/84/48/630818448.db2.gz LFMYZCHRBSMQIG-UHFFFAOYSA-N 0 0 257.380 2.969 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000836591007 630855022 /nfs/dbraw/zinc/85/50/22/630855022.db2.gz UELKRELTHBGFRL-TUAOUCFPSA-N 0 0 292.379 2.807 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C ZINC000807259869 630871545 /nfs/dbraw/zinc/87/15/45/630871545.db2.gz FSAAYRACWDMCRE-IUODEOHRSA-N 0 0 275.396 2.693 20 10 CFCDRN O=C(NC12CCC(CC1)CC2)c1cccc(O)c1O ZINC000836880513 630906686 /nfs/dbraw/zinc/90/66/86/630906686.db2.gz DAZVMPQFASGWEC-UHFFFAOYSA-N 0 0 261.321 2.550 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)C(C)C ZINC000808096298 630950373 /nfs/dbraw/zinc/95/03/73/630950373.db2.gz GHIUQTKEPRPKDR-NSHDSACASA-N 0 0 270.369 2.786 20 10 CFCDRN CN(C)c1ccc(CNc2cccc3c2CNC3=O)cc1F 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Cc1cc(CNCc2c(O)cc(C)cc2Cl)no1 ZINC000840883529 631251059 /nfs/dbraw/zinc/25/10/59/631251059.db2.gz DZCYMLHGWUAOJD-UHFFFAOYSA-N 0 0 266.728 2.940 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1c(C)cnn1C ZINC000809636188 631252724 /nfs/dbraw/zinc/25/27/24/631252724.db2.gz SYMPFNYOHKAJGW-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN CC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840910962 631256419 /nfs/dbraw/zinc/25/64/19/631256419.db2.gz YNPXAFGFIRPYEE-NSHDSACASA-N 0 0 269.772 2.965 20 10 CFCDRN O=C1NCc2c1cccc2NCc1cccc(Cl)c1O ZINC000809722257 631271586 /nfs/dbraw/zinc/27/15/86/631271586.db2.gz QUNDCVXHXPWCNX-UHFFFAOYSA-N 0 0 288.734 2.901 20 10 CFCDRN COCCCOC1CN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000840952468 631278871 /nfs/dbraw/zinc/27/88/71/631278871.db2.gz AKXSXEDXXWFILF-UHFFFAOYSA-N 0 0 299.798 2.591 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H](C3CCC3)C2)cc1F ZINC000840955407 631282827 /nfs/dbraw/zinc/28/28/27/631282827.db2.gz URGMFYXAUIRQCL-QGZVFWFLSA-N 0 0 292.398 2.893 20 10 CFCDRN Cc1cc(Cl)cc(CNc2ccc(CCO)nc2)c1O ZINC000809780488 631288150 /nfs/dbraw/zinc/28/81/50/631288150.db2.gz YRHQTIGFYWIXJU-UHFFFAOYSA-N 0 0 292.766 2.896 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840976044 631290972 /nfs/dbraw/zinc/29/09/72/631290972.db2.gz BCUOSKFPHGKGQK-JOYOIKCWSA-N 0 0 287.762 2.825 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000840995475 631295994 /nfs/dbraw/zinc/29/59/94/631295994.db2.gz PDYSIVBCWUCORD-CYBMUJFWSA-N 0 0 294.370 2.578 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C(C)C)c1O ZINC000840998153 631298113 /nfs/dbraw/zinc/29/81/13/631298113.db2.gz NYYQRNRGQOAISL-UHFFFAOYSA-N 0 0 271.744 2.649 20 10 CFCDRN C[C@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000840999546 631299487 /nfs/dbraw/zinc/29/94/87/631299487.db2.gz YTKWIRIDTDQRHZ-CQSZACIVSA-N 0 0 290.407 2.829 20 10 CFCDRN CCOc1ccc(CNc2ccc(OC)c(N)c2)c(O)c1 ZINC000841040711 631317134 /nfs/dbraw/zinc/31/71/34/631317134.db2.gz RGVXMPRLZRZNFB-UHFFFAOYSA-N 0 0 288.347 2.994 20 10 CFCDRN CC(C)(C)[C@H](CN)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841087352 631335055 /nfs/dbraw/zinc/33/50/55/631335055.db2.gz KZQHABTXIHQGIH-NSHDSACASA-N 0 0 274.767 2.648 20 10 CFCDRN CC[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000810260441 631352046 /nfs/dbraw/zinc/35/20/46/631352046.db2.gz KSOMOEWHHQBYBX-SCZZXKLOSA-N 0 0 259.296 2.746 20 10 CFCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000841296569 631377316 /nfs/dbraw/zinc/37/73/16/631377316.db2.gz GCBPSJCFGFJMCD-JTQLQIEISA-N 0 0 275.274 2.977 20 10 CFCDRN CCCc1ncc(CNC(=O)Nc2ccc(N)cc2)o1 ZINC000841297593 631377356 /nfs/dbraw/zinc/37/73/56/631377356.db2.gz GZKLTXQGDWFQHG-UHFFFAOYSA-N 0 0 274.324 2.531 20 10 CFCDRN Nc1ccc(NC(=O)NCc2ccc3c(n2)CCCC3)cc1 ZINC000841296522 631377450 /nfs/dbraw/zinc/37/74/50/631377450.db2.gz FRPIHWUDNAUUNQ-UHFFFAOYSA-N 0 0 296.374 2.864 20 10 CFCDRN Nc1ccc(NC(=O)NCCC[C@H]2CCCCO2)cc1 ZINC000841295966 631377455 /nfs/dbraw/zinc/37/74/55/631377455.db2.gz LFNFABRKJBYVSD-CQSZACIVSA-N 0 0 277.368 2.740 20 10 CFCDRN C[C@@H](O)CN(C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841296583 631377457 /nfs/dbraw/zinc/37/74/57/631377457.db2.gz VXQGUMGDPXPZHD-GFCCVEGCSA-N 0 0 291.395 2.816 20 10 CFCDRN CCC1(CC)[C@@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1OC ZINC000841298267 631377467 /nfs/dbraw/zinc/37/74/67/631377467.db2.gz OYCRCOAKBPCWPK-KBPBESRZSA-N 0 0 291.395 2.984 20 10 CFCDRN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841298416 631377473 /nfs/dbraw/zinc/37/74/73/631377473.db2.gz OYCRCOAKBPCWPK-UONOGXRCSA-N 0 0 291.395 2.984 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1=CCC1 ZINC000841346974 631392377 /nfs/dbraw/zinc/39/23/77/631392377.db2.gz JCKZNIPYNKKWHX-CYBMUJFWSA-N 0 0 272.392 2.828 20 10 CFCDRN CCO/C=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347752 631392571 /nfs/dbraw/zinc/39/25/71/631392571.db2.gz XJUFNTPNGXFTQE-ATWMFIQVSA-N 0 0 290.407 2.658 20 10 CFCDRN CC(C)(C(=O)NCc1ccccc1O)C1CCC(O)CC1 ZINC000841404917 631400719 /nfs/dbraw/zinc/40/07/19/631400719.db2.gz MQCLMZVCVBVKPY-UHFFFAOYSA-N 0 0 291.391 2.586 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OCCCF)cc1 ZINC000841476318 631412925 /nfs/dbraw/zinc/41/29/25/631412925.db2.gz WSIALFMXHKPFSE-UHFFFAOYSA-N 0 0 268.332 2.681 20 10 CFCDRN Nc1ccc(CCNC(=O)NC2CCCCCC2)cc1 ZINC000841615856 631431855 /nfs/dbraw/zinc/43/18/55/631431855.db2.gz BFFUMKSBTUYHCF-UHFFFAOYSA-N 0 0 275.396 2.833 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CSC2CCC2)cc1 ZINC000840209744 631443620 /nfs/dbraw/zinc/44/36/20/631443620.db2.gz ASFOECVFORAIOQ-UHFFFAOYSA-N 0 0 292.448 2.997 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)c2ccco2)s1 ZINC000840210130 631447673 /nfs/dbraw/zinc/44/76/73/631447673.db2.gz OSVSMMPZZBNLQP-SSDOTTSWSA-N 0 0 297.357 2.886 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841751863 631465480 /nfs/dbraw/zinc/46/54/80/631465480.db2.gz KZEFAMYDQIZGTD-UMNHJUIQSA-N 0 0 269.772 2.857 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(Cl)c1[O-] ZINC000841760030 631467959 /nfs/dbraw/zinc/46/79/59/631467959.db2.gz ROUKHCFWYNYMNA-IUPBHXKESA-N 0 0 269.772 3.000 20 10 CFCDRN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841757950 631468359 /nfs/dbraw/zinc/46/83/59/631468359.db2.gz JGOKHOJMYDAGOW-AAEUAGOBSA-N 0 0 299.798 2.892 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1C ZINC000841804185 631473349 /nfs/dbraw/zinc/47/33/49/631473349.db2.gz OIFYUZVNKMQSOK-GDBMZVCRSA-N 0 0 277.364 2.737 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000841810968 631474550 /nfs/dbraw/zinc/47/45/50/631474550.db2.gz CQRZDSZNHGWHLX-HUUCEWRRSA-N 0 0 288.391 2.652 20 10 CFCDRN CC(C)C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841958050 631496395 /nfs/dbraw/zinc/49/63/95/631496395.db2.gz NVKPIULRTPMIBI-HNNXBMFYSA-N 0 0 289.423 2.889 20 10 CFCDRN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC(C)(C)C1 ZINC000841958610 631496564 /nfs/dbraw/zinc/49/65/64/631496564.db2.gz GNOQZOFOKLCLLQ-CYBMUJFWSA-N 0 0 289.423 2.889 20 10 CFCDRN CCC(C)(CC)NC(=O)NCCc1ccc(N)cc1 ZINC000841956709 631496835 /nfs/dbraw/zinc/49/68/35/631496835.db2.gz FCBUGRYPAXBCGG-UHFFFAOYSA-N 0 0 263.385 2.689 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000841961202 631497168 /nfs/dbraw/zinc/49/71/68/631497168.db2.gz BNFLAQXCSSPJCS-QGZVFWFLSA-N 0 0 295.386 2.968 20 10 CFCDRN CC[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841963174 631497636 /nfs/dbraw/zinc/49/76/36/631497636.db2.gz YDRGFUQKABYITD-HNNXBMFYSA-N 0 0 275.396 2.785 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCCCCCC2)cc1 ZINC000841961980 631497641 /nfs/dbraw/zinc/49/76/41/631497641.db2.gz JEJSZXXPRZBBRK-UHFFFAOYSA-N 0 0 275.396 2.787 20 10 CFCDRN COc1ncccc1COc1ccc(N(C)C)cc1 ZINC000842043459 631511023 /nfs/dbraw/zinc/51/10/23/631511023.db2.gz KKKJHGBLFWQKLA-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)[C@H](C)O ZINC000842264970 631573978 /nfs/dbraw/zinc/57/39/78/631573978.db2.gz PFRHXSSYEQOQOL-ZFWWWQNUSA-N 0 0 293.407 2.928 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC(OC2CCC2)CC1 ZINC000842266832 631574039 /nfs/dbraw/zinc/57/40/39/631574039.db2.gz PXJOCFKGZGUQDU-UHFFFAOYSA-N 0 0 281.377 2.627 20 10 CFCDRN COc1ccc(O)c(CNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000811806410 631625182 /nfs/dbraw/zinc/62/51/82/631625182.db2.gz VMUBAPNWAAVGTG-UHFFFAOYSA-N 0 0 289.291 2.503 20 10 CFCDRN CN(C)c1ccnc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000811808708 631625888 /nfs/dbraw/zinc/62/58/88/631625888.db2.gz PGMCYNJKGCXFTR-UHFFFAOYSA-N 0 0 298.390 2.739 20 10 CFCDRN COc1cnc(NCc2c(O)ccc(Cl)c2F)nc1 ZINC000811837334 631630301 /nfs/dbraw/zinc/63/03/01/631630301.db2.gz GBOGUFFHSIFEGA-UHFFFAOYSA-N 0 0 283.690 2.595 20 10 CFCDRN NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1F ZINC000812346280 631694196 /nfs/dbraw/zinc/69/41/96/631694196.db2.gz MBGMYBJKBDUCLC-UHFFFAOYSA-N 0 0 294.713 2.896 20 10 CFCDRN COc1ccccc1CN(OC)C(=O)C1=CC(=O)CS1 ZINC000812365857 631696204 /nfs/dbraw/zinc/69/62/04/631696204.db2.gz KXEAUESPZKOGPT-UHFFFAOYSA-N 0 0 293.344 2.666 20 10 CFCDRN CCCc1nsc(N(C)Cc2ccccc2O)n1 ZINC000812462430 631722504 /nfs/dbraw/zinc/72/25/04/631722504.db2.gz VFORKLVZKWCAKK-UHFFFAOYSA-N 0 0 263.366 2.833 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3C[C@H]3C)C2)cc1 ZINC000842881808 631772270 /nfs/dbraw/zinc/77/22/70/631772270.db2.gz SJBAGCXCYZJJPU-WWGRRREGSA-N 0 0 289.375 2.721 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)C3(F)CC3)C2)cc1 ZINC000842876361 631772294 /nfs/dbraw/zinc/77/22/94/631772294.db2.gz XKJIFIBQNYTTRZ-LBPRGKRZSA-N 0 0 293.338 2.567 20 10 CFCDRN COCC1(CN(C)c2ccc3c(c2)OCO3)CCC1 ZINC000812831316 631792596 /nfs/dbraw/zinc/79/25/96/631792596.db2.gz RHYKHIJKDPQGJB-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN C[C@H]1CC2(CN1C(=O)Nc1ccc(N)cc1)CCOCC2 ZINC000843043573 631811233 /nfs/dbraw/zinc/81/12/33/631811233.db2.gz YTYIYQFHMVBYPC-LBPRGKRZSA-N 0 0 289.379 2.692 20 10 CFCDRN C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1C[NH3+] ZINC000843052510 631816409 /nfs/dbraw/zinc/81/64/09/631816409.db2.gz VFGSJDPDDVUWPL-RNCFNFMXSA-N 0 0 286.778 2.744 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000155929842 650037221 /nfs/dbraw/zinc/03/72/21/650037221.db2.gz DYZGSVFYBRQWBR-SNVBAGLBSA-N 0 0 288.347 2.759 20 10 CFCDRN C[C@H]1C[C@H](c2noc(Cc3ccc(N)cc3)n2)CCO1 ZINC000843195137 631896407 /nfs/dbraw/zinc/89/64/07/631896407.db2.gz YPCVVTBMXFCMPQ-CMPLNLGQSA-N 0 0 273.336 2.525 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(N)cc2)CCc2ccccc21 ZINC000843257594 631913222 /nfs/dbraw/zinc/91/32/22/631913222.db2.gz ROQTUFXOALYFIS-SFHVURJKSA-N 0 0 280.371 2.789 20 10 CFCDRN CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1O ZINC000813374756 631915024 /nfs/dbraw/zinc/91/50/24/631915024.db2.gz JLBGLHDLJSJXSU-UHFFFAOYSA-N 0 0 298.386 2.951 20 10 CFCDRN CC[C@H](C)C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000843415955 631947541 /nfs/dbraw/zinc/94/75/41/631947541.db2.gz NKTPAVVNGMZKGM-XJKSGUPXSA-N 0 0 292.423 2.820 20 10 CFCDRN CC[C@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000843431769 631957221 /nfs/dbraw/zinc/95/72/21/631957221.db2.gz ZEULYATZUYXNSH-LBPRGKRZSA-N 0 0 283.343 2.741 20 10 CFCDRN Cc1ccccc1C1(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000843508297 631969873 /nfs/dbraw/zinc/96/98/73/631969873.db2.gz QSEIAOBSWYBATB-UHFFFAOYSA-N 0 0 280.371 2.925 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(C(F)F)CCCC1 ZINC000813887433 631973248 /nfs/dbraw/zinc/97/32/48/631973248.db2.gz JIPBLBUBEADRBM-GQCTYLIASA-N 0 0 297.301 2.805 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC3(CCC3)C2)cc1 ZINC000843520377 631974438 /nfs/dbraw/zinc/97/44/38/631974438.db2.gz YLQJMUVNLNEFTB-UHFFFAOYSA-N 0 0 272.392 2.949 20 10 CFCDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1C1CCC1 ZINC000814185954 632027378 /nfs/dbraw/zinc/02/73/78/632027378.db2.gz RQVLJASOWHMZDE-UXBLZVDNSA-N 0 0 294.376 2.974 20 10 CFCDRN O=C1/C(=C\c2ccccn2)SC(=S)N1C1CCC1 ZINC000814185564 632027503 /nfs/dbraw/zinc/02/75/03/632027503.db2.gz JWLMVOFFCMGIQK-DHZHZOJOSA-N 0 0 276.386 2.835 20 10 CFCDRN Cc1noc(C)c1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000814284471 632049467 /nfs/dbraw/zinc/04/94/67/632049467.db2.gz IFBILPIQZYFJDL-YHYXMXQVSA-N 0 0 280.374 2.655 20 10 CFCDRN COc1ccncc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000814298436 632050069 /nfs/dbraw/zinc/05/00/69/632050069.db2.gz SSWCTVLAZWPBHM-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C1 ZINC000843820404 632062556 /nfs/dbraw/zinc/06/25/56/632062556.db2.gz UELDOBVGJOOYSP-LBPRGKRZSA-N 0 0 275.348 2.500 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\C1CCCC1 ZINC000843852117 632067990 /nfs/dbraw/zinc/06/79/90/632067990.db2.gz ULPCJIGQPZASRJ-ZVTBTPLYSA-N 0 0 289.375 2.891 20 10 CFCDRN COc1ccc(CNC(=O)C2CC3(CCC3)C2)c(O)c1 ZINC000843874116 632069839 /nfs/dbraw/zinc/06/98/39/632069839.db2.gz DSYALFVTHIVJBG-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C1 ZINC000843880525 632070849 /nfs/dbraw/zinc/07/08/49/632070849.db2.gz QXQPXYBZWIJZPZ-CYBMUJFWSA-N 0 0 289.375 2.890 20 10 CFCDRN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(N)cc2)n1 ZINC000844162491 632130824 /nfs/dbraw/zinc/13/08/24/632130824.db2.gz FHXWGHKGFLXGBN-GFCCVEGCSA-N 0 0 272.352 2.672 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cc2n(n1)CCCC2 ZINC000844307017 632163985 /nfs/dbraw/zinc/16/39/85/632163985.db2.gz ZCDSXNCKNBGKHB-UHFFFAOYSA-N 0 0 283.375 2.791 20 10 CFCDRN C[C@H](NCc1cc2n(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000844323100 632169751 /nfs/dbraw/zinc/16/97/51/632169751.db2.gz UANVIWBWAGBZJO-ZDUSSCGKSA-N 0 0 284.407 2.746 20 10 CFCDRN COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000844352881 632176771 /nfs/dbraw/zinc/17/67/71/632176771.db2.gz BIDXTHSKVDCEPZ-BBRMVZONSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1 ZINC000844353149 632178178 /nfs/dbraw/zinc/17/81/78/632178178.db2.gz PFJRHEOAEJELAK-UHFFFAOYSA-N 0 0 278.396 2.684 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000844353467 632178187 /nfs/dbraw/zinc/17/81/87/632178187.db2.gz OWWKUWUDMUVMID-KBPBESRZSA-N 0 0 290.407 2.921 20 10 CFCDRN Cc1cnccc1Sc1ncc([N+](=O)[O-])s1 ZINC000814974668 632182860 /nfs/dbraw/zinc/18/28/60/632182860.db2.gz YNUYHWAGJNJFTJ-UHFFFAOYSA-N 0 0 253.308 2.906 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cc1F ZINC000815151759 632217988 /nfs/dbraw/zinc/21/79/88/632217988.db2.gz SLHDLNUIHMALGF-FVCICTRLSA-N 0 0 290.382 2.944 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC2(C)C)cc1 ZINC000844853961 632323138 /nfs/dbraw/zinc/32/31/38/632323138.db2.gz HYOBSTSXFBJSLS-HNNXBMFYSA-N 0 0 290.407 2.636 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H](F)C(C)C)cc1 ZINC000844856863 632323933 /nfs/dbraw/zinc/32/39/33/632323933.db2.gz WHJPZQYAFHQEPI-HNNXBMFYSA-N 0 0 296.386 2.584 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C=C2CCC2)cc1 ZINC000844855252 632324025 /nfs/dbraw/zinc/32/40/25/632324025.db2.gz SNFYLZGARVRKOO-UHFFFAOYSA-N 0 0 288.391 2.700 20 10 CFCDRN CC/C(C)=C/C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844856374 632324058 /nfs/dbraw/zinc/32/40/58/632324058.db2.gz IMWVCMPTUOLWNZ-BUHFOSPRSA-N 0 0 290.407 2.946 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C(C)(F)F)c1 ZINC000815835061 632325417 /nfs/dbraw/zinc/32/54/17/632325417.db2.gz JCYJGTJJHLLGIA-DTWKUNHWSA-N 0 0 287.306 2.869 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(C)c(C)c2)c1O ZINC000105652853 632326047 /nfs/dbraw/zinc/32/60/47/632326047.db2.gz JVULSPNWNWBBCW-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccccc1O)C(C)(C)C ZINC000844939286 632342472 /nfs/dbraw/zinc/34/24/72/632342472.db2.gz NEZJYVFOEKPIIJ-SNVBAGLBSA-N 0 0 250.342 2.626 20 10 CFCDRN CS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000844939640 632342955 /nfs/dbraw/zinc/34/29/55/632342955.db2.gz PEWVGOBAGZVNLU-TZMCWYRMSA-N 0 0 294.420 2.866 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000816029231 632359066 /nfs/dbraw/zinc/35/90/66/632359066.db2.gz YSCLHQDFUAVAJE-AKENFEQQSA-N 0 0 289.375 2.581 20 10 CFCDRN c1csc(SCc2cc3n(n2)CCCC3)n1 ZINC000845307104 632407635 /nfs/dbraw/zinc/40/76/35/632407635.db2.gz WARMJVUSQFRIML-UHFFFAOYSA-N 0 0 251.380 2.968 20 10 CFCDRN CCOC(=O)CN(C)Cc1ccc2ccccc2c1O ZINC000816484736 632468860 /nfs/dbraw/zinc/46/88/60/632468860.db2.gz MVMZVPGNPINTIC-UHFFFAOYSA-N 0 0 273.332 2.540 20 10 CFCDRN C[C@@H]1COCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816514264 632475902 /nfs/dbraw/zinc/47/59/02/632475902.db2.gz RKTRNFICLHRGHX-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816574473 632488279 /nfs/dbraw/zinc/48/82/79/632488279.db2.gz IZYYIHSDFIIXOD-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN COc1ccc(N(C)CCN(C)c2ccc(F)cn2)cc1 ZINC000845670294 632513621 /nfs/dbraw/zinc/51/36/21/632513621.db2.gz QSQHRMBZNOBJQM-UHFFFAOYSA-N 0 0 289.354 2.802 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000845833406 632577497 /nfs/dbraw/zinc/57/74/97/632577497.db2.gz KZJFORMBLGFOKY-CABCVRRESA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](C)O ZINC000817298416 632598921 /nfs/dbraw/zinc/59/89/21/632598921.db2.gz LEGMJYKEOGHHBY-GXTWGEPZSA-N 0 0 263.381 2.711 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCc3cnn(C)n3)cc12 ZINC000817380224 632617851 /nfs/dbraw/zinc/61/78/51/632617851.db2.gz QBAXGVDFPAIVRF-UHFFFAOYSA-N 0 0 270.336 2.503 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc(C)n1 ZINC000817409434 632622743 /nfs/dbraw/zinc/62/27/43/632622743.db2.gz BTKKBKZFGXUEPS-UHFFFAOYSA-N 0 0 287.319 2.602 20 10 CFCDRN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817412108 632624221 /nfs/dbraw/zinc/62/42/21/632624221.db2.gz CZCPZPAHNAZUOX-NXEZZACHSA-N 0 0 287.762 2.635 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817413819 632625265 /nfs/dbraw/zinc/62/52/65/632625265.db2.gz ARCDWIYTHFGYHT-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[N@@H+]1C ZINC000817417128 632627659 /nfs/dbraw/zinc/62/76/59/632627659.db2.gz DQTVFPJPCILFIK-NSHDSACASA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846104685 632632098 /nfs/dbraw/zinc/63/20/98/632632098.db2.gz KGVBERDEJKBBHH-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN COCc1ccnc(NCc2cc(OC)ccc2O)c1 ZINC000846117122 632638324 /nfs/dbraw/zinc/63/83/24/632638324.db2.gz KYASTWQKMRCUMW-UHFFFAOYSA-N 0 0 274.320 2.554 20 10 CFCDRN COCc1ccnc(NCc2cccc(OC)c2O)c1 ZINC000846117898 632639516 /nfs/dbraw/zinc/63/95/16/632639516.db2.gz RCWCLOILEBTTBO-UHFFFAOYSA-N 0 0 274.320 2.554 20 10 CFCDRN COc1ccc(N[C@H](C)c2cccc(OC)c2O)cn1 ZINC000846160499 632650013 /nfs/dbraw/zinc/65/00/13/632650013.db2.gz XJNPYCRRBPMSLC-SNVBAGLBSA-N 0 0 274.320 2.978 20 10 CFCDRN CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000846207503 632660832 /nfs/dbraw/zinc/66/08/32/632660832.db2.gz CJXTWIANMXKJPN-GHMZBOCLSA-N 0 0 296.798 2.565 20 10 CFCDRN C[C@H]([NH2+]CCC1(CO)CCC1)c1cc(F)cc(F)c1[O-] ZINC000846211639 632662128 /nfs/dbraw/zinc/66/21/28/632662128.db2.gz XTHMDIIEUUIQET-JTQLQIEISA-N 0 0 285.334 2.874 20 10 CFCDRN CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(F)cc1[O-] ZINC000846214877 632663411 /nfs/dbraw/zinc/66/34/11/632663411.db2.gz XAWKFAUZNGBASA-GOEBONIOSA-N 0 0 297.370 2.504 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000817586007 632671643 /nfs/dbraw/zinc/67/16/43/632671643.db2.gz KVGSISUTXUVKPM-NTZNESFSSA-N 0 0 294.351 2.909 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000846274941 632681134 /nfs/dbraw/zinc/68/11/34/632681134.db2.gz OOKSPCCJHCZEPW-OAHLLOKOSA-N 0 0 276.380 2.582 20 10 CFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C2CCCC2)C1 ZINC000817766034 632709297 /nfs/dbraw/zinc/70/92/97/632709297.db2.gz LNAIVPDHILGYBU-LLVKDONJSA-N 0 0 293.338 2.889 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000846471787 632714337 /nfs/dbraw/zinc/71/43/37/632714337.db2.gz AQWCBFZFIAHFGE-UHFFFAOYSA-N 0 0 293.754 2.822 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474187 632715851 /nfs/dbraw/zinc/71/58/51/632715851.db2.gz RYHDSFCMNZQAJM-LBPRGKRZSA-N 0 0 283.755 2.619 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475316 632716297 /nfs/dbraw/zinc/71/62/97/632716297.db2.gz BYWZMPKWAVYWCK-GXTWGEPZSA-N 0 0 297.782 2.867 20 10 CFCDRN CC[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846474247 632716330 /nfs/dbraw/zinc/71/63/30/632716330.db2.gz SNBWNOQYXFQXPO-GXFFZTMASA-N 0 0 297.782 2.867 20 10 CFCDRN CC(C)[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846475826 632716630 /nfs/dbraw/zinc/71/66/30/632716630.db2.gz KQYTZHCJCACNEE-VIFPVBQESA-N 0 0 255.745 2.954 20 10 CFCDRN CC(C)n1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846475274 632716645 /nfs/dbraw/zinc/71/66/45/632716645.db2.gz FCUSPGGYQIQAKD-UHFFFAOYSA-N 0 0 293.754 2.753 20 10 CFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CCOCC1 ZINC000846474712 632716744 /nfs/dbraw/zinc/71/67/44/632716744.db2.gz ANVVKUQZMLDPTL-JTQLQIEISA-N 0 0 297.782 2.725 20 10 CFCDRN COC[C@H](C)[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476376 632717391 /nfs/dbraw/zinc/71/73/91/632717391.db2.gz KVHAWAUZILISJA-UWVGGRQHSA-N 0 0 285.771 2.580 20 10 CFCDRN CC[C@@H]([NH2+]CCN)c1cc(Cl)cc(Cl)c1[O-] ZINC000817936739 632741749 /nfs/dbraw/zinc/74/17/49/632741749.db2.gz QSPYHEAKDNSEFR-SNVBAGLBSA-N 0 0 263.168 2.698 20 10 CFCDRN C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817944384 632747530 /nfs/dbraw/zinc/74/75/30/632747530.db2.gz AHAZHTUQVHQGIG-SFYZADRCSA-N 0 0 275.179 2.712 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955375 632754893 /nfs/dbraw/zinc/75/48/93/632754893.db2.gz XBOAGQHCJRKOJU-ABAIWWIYSA-N 0 0 274.339 2.882 20 10 CFCDRN C[C@]1(CCNC(=O)C2=CC(=O)CS2)C[C@@]1(F)Cl ZINC000846657226 632766969 /nfs/dbraw/zinc/76/69/69/632766969.db2.gz AAIOQCIUPHQPNF-QWRGUYRKSA-N 0 0 277.748 2.888 20 10 CFCDRN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000846689705 632775382 /nfs/dbraw/zinc/77/53/82/632775382.db2.gz CBKZLXBQMXNUOR-DLBZAZTESA-N 0 0 280.371 2.792 20 10 CFCDRN COCCOCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846752656 632785678 /nfs/dbraw/zinc/78/56/78/632785678.db2.gz VFMMBYUAIGZHFG-UHFFFAOYSA-N 0 0 292.404 2.909 20 10 CFCDRN CCN1C[C@@H](CN(C)c2ccc(OC(C)C)cc2)OC1=O ZINC000846874141 632828598 /nfs/dbraw/zinc/82/85/98/632828598.db2.gz HLSFPFKOXVDKEN-OAHLLOKOSA-N 0 0 292.379 2.751 20 10 CFCDRN CCc1nc(C)c(C(=O)NCCc2ccc(N)cc2)s1 ZINC000818546111 632863267 /nfs/dbraw/zinc/86/32/67/632863267.db2.gz PQRGPCGJKTUQEQ-UHFFFAOYSA-N 0 0 289.404 2.569 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000818544966 632863456 /nfs/dbraw/zinc/86/34/56/632863456.db2.gz YQBAPLDZWRNIOU-UHFFFAOYSA-N 0 0 281.359 2.514 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCC2 ZINC000818987811 632924009 /nfs/dbraw/zinc/92/40/09/632924009.db2.gz XMYAOMCXVFYCCH-FNORWQNLSA-N 0 0 296.326 2.633 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1(C)CC=CC1 ZINC000847318459 632971709 /nfs/dbraw/zinc/97/17/09/632971709.db2.gz JMRHFGFPMVCTOL-UHFFFAOYSA-N 0 0 287.407 2.969 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)(CC)CO ZINC000847399813 632983001 /nfs/dbraw/zinc/98/30/01/632983001.db2.gz VIYOGVMXUMRQAT-QGZVFWFLSA-N 0 0 292.423 2.510 20 10 CFCDRN C[Si](C)(C)CCCC(=O)NCc1ccc(O)c(O)c1 ZINC000847591361 633006558 /nfs/dbraw/zinc/00/65/58/633006558.db2.gz UFQXFXSESXXVBR-UHFFFAOYSA-N 0 0 281.428 2.832 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C)c1O ZINC000819399480 633149046 /nfs/dbraw/zinc/14/90/46/633149046.db2.gz VMPRGGJURBAIHQ-YPMHNXCESA-N 0 0 277.364 2.843 20 10 CFCDRN CCCCOc1ccccc1NC[C@@H](O)Cn1cccn1 ZINC000819419418 633155974 /nfs/dbraw/zinc/15/59/74/633155974.db2.gz CLMMJABXRUNRKM-CQSZACIVSA-N 0 0 289.379 2.535 20 10 CFCDRN C[C@H](NC(=O)/C=C\[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000819501777 633187761 /nfs/dbraw/zinc/18/77/61/633187761.db2.gz KWGLPAOOEQHSKR-IJMCGSSZSA-N 0 0 288.391 2.665 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000848394995 633248194 /nfs/dbraw/zinc/24/81/94/633248194.db2.gz PVFSOMGDNCTSSW-KRWDZBQOSA-N 0 0 296.370 2.589 20 10 CFCDRN C[C@H](O)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000848928642 633412244 /nfs/dbraw/zinc/41/22/44/633412244.db2.gz JLKMVUZPXGMJSB-QMMMGPOBSA-N 0 0 273.735 2.530 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCNC3=O)cc1 ZINC000849346897 633624764 /nfs/dbraw/zinc/62/47/64/633624764.db2.gz HJNQZOKVACLHSC-UHFFFAOYSA-N 0 0 295.386 2.651 20 10 CFCDRN CC[C@@H](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849360154 633627979 /nfs/dbraw/zinc/62/79/79/633627979.db2.gz YKPLNBKYMYRBJF-GFCCVEGCSA-N 0 0 290.363 2.593 20 10 CFCDRN O=C1CCCN1CCCSc1ncc(Cl)s1 ZINC000849998838 633786596 /nfs/dbraw/zinc/78/65/96/633786596.db2.gz JLHKGENJUIMCTR-UHFFFAOYSA-N 0 0 276.814 2.901 20 10 CFCDRN CC(C)(CSc1ncc(Cl)s1)CS(C)(=O)=O ZINC000850000016 633786771 /nfs/dbraw/zinc/78/67/71/633786771.db2.gz GWAPBPXPHZPOMI-UHFFFAOYSA-N 0 0 299.870 2.959 20 10 CFCDRN O=C1O[C@@H](CSc2ncc(Cl)s2)CC12CC2 ZINC000850000557 633787186 /nfs/dbraw/zinc/78/71/86/633787186.db2.gz ZCWLLRUNHCBMSQ-ZCFIWIBFSA-N 0 0 275.782 2.984 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CO1 ZINC000850342389 633946507 /nfs/dbraw/zinc/94/65/07/633946507.db2.gz QZBUGMJQVMYVLO-QMMMGPOBSA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850369187 633958315 /nfs/dbraw/zinc/95/83/15/633958315.db2.gz GJPQHONJSAYINP-VIFPVBQESA-N 0 0 285.746 2.986 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000850429518 633989376 /nfs/dbraw/zinc/98/93/76/633989376.db2.gz GCYLDAKGDVSXIT-CYBMUJFWSA-N 0 0 262.309 2.723 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccc(F)cc1[O-] ZINC000850485589 634014890 /nfs/dbraw/zinc/01/48/90/634014890.db2.gz LSZDPCGTFMPBMH-GXTWGEPZSA-N 0 0 285.359 2.624 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(F)cc1[O-] ZINC000850490202 634015584 /nfs/dbraw/zinc/01/55/84/634015584.db2.gz WXWRXPRFMALSHJ-KBPBESRZSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]C/C=C/CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509803 634023430 /nfs/dbraw/zinc/02/34/30/634023430.db2.gz SVIRFUVVTYRJKN-SGJFDWMWSA-N 0 0 276.163 2.898 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(F)cc1[O-] ZINC000850513052 634025085 /nfs/dbraw/zinc/02/50/85/634025085.db2.gz BYUIWLOGYRROAR-GXFFZTMASA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850526206 634034564 /nfs/dbraw/zinc/03/45/64/634034564.db2.gz UEFOXHKUDRESKP-MNOVXSKESA-N 0 0 292.335 2.663 20 10 CFCDRN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(F)cc1[O-] ZINC000850534193 634040332 /nfs/dbraw/zinc/04/03/32/634040332.db2.gz GPXTYUYXQLCQSV-JTQLQIEISA-N 0 0 289.354 2.993 20 10 CFCDRN COc1cc(NCC=Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000858230591 636160002 /nfs/dbraw/zinc/16/00/02/636160002.db2.gz DDIBKHYKKFWIMO-SNAWJCMRSA-N 0 0 272.352 2.610 20 10 CFCDRN Cc1cc(C)c([C@@H](C)NCc2ncccn2)c(O)c1 ZINC000850551635 634050135 /nfs/dbraw/zinc/05/01/35/634050135.db2.gz IQTYHUAYYZCRLX-GFCCVEGCSA-N 0 0 257.337 2.650 20 10 CFCDRN CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850554801 634052605 /nfs/dbraw/zinc/05/26/05/634052605.db2.gz LANODNAWNKQFRT-ZYHUDNBSSA-N 0 0 284.350 2.805 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc12 ZINC000851094424 634219214 /nfs/dbraw/zinc/21/92/14/634219214.db2.gz ZSYCWMWMJKFNAT-FOLVSLTJSA-N 0 0 285.343 2.593 20 10 CFCDRN CCCCCc1cc(C(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000852789998 634837080 /nfs/dbraw/zinc/83/70/80/634837080.db2.gz ISLKVVXHCMUCDF-UHFFFAOYSA-N 0 0 272.352 2.977 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)nn2)c1 ZINC000853269852 634956417 /nfs/dbraw/zinc/95/64/17/634956417.db2.gz ZJOHEOVJCQQTLG-JTQLQIEISA-N 0 0 259.309 2.672 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cnc(F)cn1 ZINC000853343120 634976623 /nfs/dbraw/zinc/97/66/23/634976623.db2.gz XFRYQWSLTYYBIV-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccccn1 ZINC000854264295 635276027 /nfs/dbraw/zinc/27/60/27/635276027.db2.gz ZFFJBENETRRUMQ-CYBMUJFWSA-N 0 0 299.374 2.732 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000854271364 635277486 /nfs/dbraw/zinc/27/74/86/635277486.db2.gz DTMYKIVCNMPDCC-CJNGLKHVSA-N 0 0 290.407 2.574 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1 ZINC000854270248 635277536 /nfs/dbraw/zinc/27/75/36/635277536.db2.gz IGHFPYQPXPKYSH-UHFFFAOYSA-N 0 0 258.365 2.559 20 10 CFCDRN C[C@@H]1CCC(C)(C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854898015 635417658 /nfs/dbraw/zinc/41/76/58/635417658.db2.gz MYQSIBDXNMDSDM-OKPNEXGHSA-N 0 0 275.348 2.901 20 10 CFCDRN CCC(F)(F)C(=O)NCc1cc(Cl)ccc1O ZINC000855023287 635444384 /nfs/dbraw/zinc/44/43/84/635444384.db2.gz XQSKQRMNNLKSHH-UHFFFAOYSA-N 0 0 263.671 2.707 20 10 CFCDRN C/C=C(/CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223296 635489155 /nfs/dbraw/zinc/48/91/55/635489155.db2.gz FDYCFMFECVECGU-HNFXJGKRSA-N 0 0 288.391 2.746 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC3CC3)C2)cc1 ZINC000855231781 635489841 /nfs/dbraw/zinc/48/98/41/635489841.db2.gz NUXAXCCLKJLMAL-CQSZACIVSA-N 0 0 288.391 2.580 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)C=C3CCC3)C2)cc1 ZINC000855234293 635489864 /nfs/dbraw/zinc/48/98/64/635489864.db2.gz WTYHNYPAMLACJQ-AWEZNQCLSA-N 0 0 286.375 2.500 20 10 CFCDRN CCC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231333 635490277 /nfs/dbraw/zinc/49/02/77/635490277.db2.gz LAZBNGACJFHIJZ-KBPBESRZSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)C3CCCC3)C2)cc1 ZINC000855234502 635491085 /nfs/dbraw/zinc/49/10/85/635491085.db2.gz BOCJHMOLGCBLMT-CQSZACIVSA-N 0 0 288.391 2.580 20 10 CFCDRN 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2.741 20 10 CFCDRN COC(=O)c1coc([C@H](C)Sc2nccs2)n1 ZINC000865353397 638278812 /nfs/dbraw/zinc/27/88/12/638278812.db2.gz ZTYFLHHTALTKGX-LURJTMIESA-N 0 0 270.335 2.771 20 10 CFCDRN COC(=O)c1cc(OCC(=O)C(C)(C)C)ccc1N(C)C ZINC000865394867 638305647 /nfs/dbraw/zinc/30/56/47/638305647.db2.gz CXLWWLGYBQGJRS-UHFFFAOYSA-N 0 0 293.363 2.533 20 10 CFCDRN CC(C)n1ncnc1CNCc1ccc2c(c1)CCCN2C ZINC000865437307 638333917 /nfs/dbraw/zinc/33/39/17/638333917.db2.gz GRJJSGQHMSSODF-UHFFFAOYSA-N 0 0 299.422 2.531 20 10 CFCDRN Cc1ccn(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000190201683 650418950 /nfs/dbraw/zinc/41/89/50/650418950.db2.gz PAVHKUIJJFLTOP-UHFFFAOYSA-N 0 0 298.386 2.848 20 10 CFCDRN CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000077453275 650426092 /nfs/dbraw/zinc/42/60/92/650426092.db2.gz WDAXMNKIVLZXIR-SNVBAGLBSA-N 0 0 278.179 2.950 20 10 CFCDRN CC(C)COc1cncc(N2Cc3cccc(O)c3C2)n1 ZINC000866116861 638744929 /nfs/dbraw/zinc/74/49/29/638744929.db2.gz CTSREMDTDHDPIO-UHFFFAOYSA-N 0 0 285.347 2.737 20 10 CFCDRN Cc1nc2c(c(N3Cc4cccc(O)c4C3)n1)CCCC2 ZINC000866117220 638745214 /nfs/dbraw/zinc/74/52/14/638745214.db2.gz ILCKPNCFSFSCAA-UHFFFAOYSA-N 0 0 281.359 2.890 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000866416085 638817543 /nfs/dbraw/zinc/81/75/43/638817543.db2.gz MIAIACVHNWXWNZ-BBBLOLIVSA-N 0 0 289.297 2.833 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccnn1CC1CCC1 ZINC000866596379 638851124 /nfs/dbraw/zinc/85/11/24/638851124.db2.gz FSUUGJUJMVFHGC-UHFFFAOYSA-N 0 0 299.374 2.661 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000866612660 638854256 /nfs/dbraw/zinc/85/42/56/638854256.db2.gz AYXNIGJGPLONMX-RKDXNWHRSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccnn1C ZINC000866613709 638854752 /nfs/dbraw/zinc/85/47/52/638854752.db2.gz JGZZVJBSKDCPAH-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000866634631 638858383 /nfs/dbraw/zinc/85/83/83/638858383.db2.gz 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IQHNOCSUQCZEFP-DMDPSCGWSA-N 0 0 262.353 2.941 20 10 CFCDRN CCCC[C@H](COC)NC(=O)N[C@H](C)c1ccccc1O ZINC000868276584 638933893 /nfs/dbraw/zinc/93/38/93/638933893.db2.gz FMRQKJQLKJIGAT-CHWSQXEVSA-N 0 0 294.395 2.958 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000868473069 638948497 /nfs/dbraw/zinc/94/84/97/638948497.db2.gz LVJVHAWSVUKQGU-XQQFMLRXSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCCOC1)c1ccccc1O ZINC000868486796 638949400 /nfs/dbraw/zinc/94/94/00/638949400.db2.gz JTYNYRBYDVDZCJ-YNEHKIRRSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)NCC1CC(F)(F)C1)c1ccccc1O ZINC000868638451 638964135 /nfs/dbraw/zinc/96/41/35/638964135.db2.gz WGFWSSHOHWPLFO-SECBINFHSA-N 0 0 284.306 2.798 20 10 CFCDRN CC[C@@](C)(CNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868668871 638967420 /nfs/dbraw/zinc/96/74/20/638967420.db2.gz PWBYIOJVTYUHDK-NHYWBVRUSA-N 0 0 280.368 2.568 20 10 CFCDRN Cc1ccncc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868676803 638968144 /nfs/dbraw/zinc/96/81/44/638968144.db2.gz UBNLCIIWVRDVBG-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN Cc1cccnc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868672824 638968305 /nfs/dbraw/zinc/96/83/05/638968305.db2.gz NTKMQPSKRRXZBV-CYBMUJFWSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@H](NC(=O)NC1CC(C)(C)C1)c1ccccc1O ZINC000868789956 638979748 /nfs/dbraw/zinc/97/97/48/638979748.db2.gz MBCYFOUSIQJIBC-JTQLQIEISA-N 0 0 262.353 2.941 20 10 CFCDRN CCC[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)OCC ZINC000868800974 638980866 /nfs/dbraw/zinc/98/08/66/638980866.db2.gz RSFXGYVAJZXJED-OLZOCXBDSA-N 0 0 294.395 2.958 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCC(C)(C)F)ccc21 ZINC000868837684 638984446 /nfs/dbraw/zinc/98/44/46/638984446.db2.gz IIKZMDZJOURELX-UHFFFAOYSA-N 0 0 293.386 2.616 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1CCCC12CC2 ZINC000868845396 638985450 /nfs/dbraw/zinc/98/54/50/638985450.db2.gz VDZPLSVIZVMEMJ-ZDUSSCGKSA-N 0 0 260.337 2.524 20 10 CFCDRN C[C@@H]1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000122520873 639182066 /nfs/dbraw/zinc/18/20/66/639182066.db2.gz PBVZVTDMLBEYSU-DGCLKSJQSA-N 0 0 277.364 2.583 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(-n3nccn3)cc2)cc1 ZINC000122704242 639345329 /nfs/dbraw/zinc/34/53/29/639345329.db2.gz KVBUTUDTYBWPSW-UHFFFAOYSA-N 0 0 293.374 2.945 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCC12CC2 ZINC000869749112 639379824 /nfs/dbraw/zinc/37/98/24/639379824.db2.gz QDDCFNVLFBNIAA-KXQLTZBTSA-N 0 0 273.332 2.560 20 10 CFCDRN COC(=O)c1ccc2c(c1)CCN2Cc1ccccc1O ZINC000191505271 650506022 /nfs/dbraw/zinc/50/60/22/650506022.db2.gz XCELLYDGWVUTHB-UHFFFAOYSA-N 0 0 283.327 2.742 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ncc([N+](=O)[O-])s2)c1 ZINC000192450712 650562498 /nfs/dbraw/zinc/56/24/98/650562498.db2.gz SBXRZAFZUBAOLG-ZETCQYMHSA-N 0 0 295.320 2.939 20 10 CFCDRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1F ZINC000192690198 650586424 /nfs/dbraw/zinc/58/64/24/650586424.db2.gz IXMQPASMZMIQBH-UXBLZVDNSA-N 0 0 283.349 2.665 20 10 CFCDRN O=C(Nc1ccc2ncsc2c1)c1cccc(O)c1O ZINC000192985735 650614017 /nfs/dbraw/zinc/61/40/17/650614017.db2.gz QHVOZNFQKAMJTO-UHFFFAOYSA-N 0 0 286.312 2.960 20 10 CFCDRN O=C(Nc1cccc(OCCF)c1)c1cccc(O)c1O ZINC000193133817 650625603 /nfs/dbraw/zinc/62/56/03/650625603.db2.gz NTFBBWHNKPBQRX-UHFFFAOYSA-N 0 0 291.278 2.698 20 10 CFCDRN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)C1=CC(=O)CS1 ZINC000871120870 641211470 /nfs/dbraw/zinc/21/14/70/641211470.db2.gz WEOIHXLEJHMSHS-DGCLKSJQSA-N 0 0 281.377 2.531 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000080130106 650645653 /nfs/dbraw/zinc/64/56/53/650645653.db2.gz KWCACHQIWUREDB-UHFFFAOYSA-N 0 0 292.316 2.634 20 10 CFCDRN COc1ccccc1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871200133 641240742 /nfs/dbraw/zinc/24/07/42/641240742.db2.gz ZCDOCQRBHCMRER-UHFFFAOYSA-N 0 0 297.354 2.876 20 10 CFCDRN Cc1cccc(C)c1NCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202202 641241576 /nfs/dbraw/zinc/24/15/76/641241576.db2.gz ACBUUCHPNOQQLH-UHFFFAOYSA-N 0 0 296.370 2.963 20 10 CFCDRN CC1(C)C(C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC000871202470 641241873 /nfs/dbraw/zinc/24/18/73/641241873.db2.gz IEMJHICDGJNDJU-UHFFFAOYSA-N 0 0 259.349 2.917 20 10 CFCDRN O=C([C@H]1OCCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871202611 641242158 /nfs/dbraw/zinc/24/21/58/641242158.db2.gz CLFUXYIWCAQWBR-KRWDZBQOSA-N 0 0 295.338 2.548 20 10 CFCDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203672 641242822 /nfs/dbraw/zinc/24/28/22/641242822.db2.gz PSHBIKCBIZULLX-JTQLQIEISA-N 0 0 299.374 2.768 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203078 641243194 /nfs/dbraw/zinc/24/31/94/641243194.db2.gz RNUXCGMCBDRJOS-BLLLJJGKSA-N 0 0 289.375 2.830 20 10 CFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccncc1 ZINC000871202862 641243239 /nfs/dbraw/zinc/24/32/39/641243239.db2.gz HMONJYBZIOXCID-GFCCVEGCSA-N 0 0 282.343 2.823 20 10 CFCDRN CCc1cncc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871203748 641243365 /nfs/dbraw/zinc/24/33/65/641243365.db2.gz FUSONMJFDLTEFA-UHFFFAOYSA-N 0 0 268.316 2.506 20 10 CFCDRN CO[C@@H]1CCC[C@@H](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871205146 641244045 /nfs/dbraw/zinc/24/40/45/641244045.db2.gz OYHKXQNPMNSSBM-TZMCWYRMSA-N 0 0 289.375 2.830 20 10 CFCDRN O=C([C@H]1CCCCCC(=O)C1)N1Cc2cccc(O)c2C1 ZINC000871204951 641244057 /nfs/dbraw/zinc/24/40/57/641244057.db2.gz MJOSFUXHMLODDZ-LBPRGKRZSA-N 0 0 287.359 2.774 20 10 CFCDRN Cc1cccc(COCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871206814 641246419 /nfs/dbraw/zinc/24/64/19/641246419.db2.gz FOKOGDLNDJRAFO-UHFFFAOYSA-N 0 0 297.354 2.760 20 10 CFCDRN O=C(NC1(CO)CCCCCCC1)C1=CC(=O)CS1 ZINC000871403287 641312841 /nfs/dbraw/zinc/31/28/41/641312841.db2.gz HODICVXCRYEHKM-UHFFFAOYSA-N 0 0 283.393 2.659 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C3(C4CC4)CC3)ccc21 ZINC000888578248 641328719 /nfs/dbraw/zinc/32/87/19/641328719.db2.gz KBCUAMQXPAVURQ-UHFFFAOYSA-N 0 0 284.403 2.875 20 10 CFCDRN CN(C)c1ccc(OCc2nc(CC3CC3)no2)cc1 ZINC000871745101 641434676 /nfs/dbraw/zinc/43/46/76/641434676.db2.gz IPZPVQMXHTYYDJ-UHFFFAOYSA-N 0 0 273.336 2.667 20 10 CFCDRN CN(Cc1ccccc1O)c1cc(N)ccc1[N+](=O)[O-] ZINC000193489323 650661615 /nfs/dbraw/zinc/66/16/15/650661615.db2.gz YMGBVEOGKCLUMM-UHFFFAOYSA-N 0 0 273.292 2.519 20 10 CFCDRN CC(C)Nc1ccccc1NCC(=O)NCC1CCC1 ZINC000871845884 641479274 /nfs/dbraw/zinc/47/92/74/641479274.db2.gz LULSNNPSEODHQE-UHFFFAOYSA-N 0 0 275.396 2.835 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000871879290 641496327 /nfs/dbraw/zinc/49/63/27/641496327.db2.gz CNFVJHUJBWFGID-DFBGVHRSSA-N 0 0 289.375 2.601 20 10 CFCDRN O=C([O-])C1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000871881703 641497326 /nfs/dbraw/zinc/49/73/26/641497326.db2.gz FTXZOHUBMHWCRB-UHFFFAOYSA-N 0 0 288.391 2.630 20 10 CFCDRN Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)ccc1N(C)C ZINC000872161519 641681946 /nfs/dbraw/zinc/68/19/46/641681946.db2.gz UYZLTMKJBOZJMV-CXAGYDPISA-N 0 0 290.407 2.604 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872212921 641705372 /nfs/dbraw/zinc/70/53/72/641705372.db2.gz ROQGDVOUNNVCOS-YOEHRIQHSA-N 0 0 293.407 2.799 20 10 CFCDRN CC(C)CCO[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000019385563 641706304 /nfs/dbraw/zinc/70/63/04/641706304.db2.gz VWZLTZAGWIWUOD-NSHDSACASA-N 0 0 250.342 2.659 20 10 CFCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000124319365 641961019 /nfs/dbraw/zinc/96/10/19/641961019.db2.gz DLYMGMYYOAUIFE-MRVPVSSYSA-N 0 0 270.716 2.938 20 10 CFCDRN O=C(NCCC[C@H]1C=CCC1)NCc1ccccc1O ZINC000873135303 642024609 /nfs/dbraw/zinc/02/46/09/642024609.db2.gz VEDGBNMJFODXLK-ZDUSSCGKSA-N 0 0 274.364 2.938 20 10 CFCDRN CC(C)OC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000873166579 642044700 /nfs/dbraw/zinc/04/47/00/642044700.db2.gz GQLHECOPIXGSRN-UHFFFAOYSA-N 0 0 294.351 2.738 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC12CCC2 ZINC000873265589 642109303 /nfs/dbraw/zinc/10/93/03/642109303.db2.gz OHUJKQXCBJDOSJ-GFCCVEGCSA-N 0 0 280.755 2.787 20 10 CFCDRN Cc1ccc(C(=O)OC[C@@H]2C[C@H]3CCC[C@H]3O2)c(O)c1O ZINC000873355415 642149945 /nfs/dbraw/zinc/14/99/45/642149945.db2.gz IWTQFKQHJLHNPG-NTZNESFSSA-N 0 0 292.331 2.521 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000124596859 642271428 /nfs/dbraw/zinc/27/14/28/642271428.db2.gz NFVMOYCHGLWKFS-NSHDSACASA-N 0 0 268.788 2.572 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCOCC(F)(F)F ZINC000124681374 642300634 /nfs/dbraw/zinc/30/06/34/642300634.db2.gz VCMHVXKIHVZIQQ-UHFFFAOYSA-N 0 0 283.677 2.714 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC(C2CC2)C2CC2)cc1 ZINC000873913560 642307296 /nfs/dbraw/zinc/30/72/96/642307296.db2.gz XACGHNCQNLCNFM-UHFFFAOYSA-N 0 0 286.335 2.767 20 10 CFCDRN Nc1ccc(CC(=O)NCCCc2ccccc2)cc1 ZINC000020185737 642315349 /nfs/dbraw/zinc/31/53/49/642315349.db2.gz GZPPLPUOECKHQU-UHFFFAOYSA-N 0 0 268.360 2.560 20 10 CFCDRN Nc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000020296649 642352288 /nfs/dbraw/zinc/35/22/88/642352288.db2.gz DDTLBKTVWCGFRC-UHFFFAOYSA-N 0 0 282.343 2.775 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000195328997 650746880 /nfs/dbraw/zinc/74/68/80/650746880.db2.gz JBHCDBPIBBJDRI-KPKJPENVSA-N 0 0 296.370 2.788 20 10 CFCDRN C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(N)cc2)C1 ZINC000020508391 642419417 /nfs/dbraw/zinc/41/94/17/642419417.db2.gz UKGPLFKHTBGONY-BXUZGUMPSA-N 0 0 262.353 2.803 20 10 CFCDRN Cc1nc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000125335633 642598674 /nfs/dbraw/zinc/59/86/74/642598674.db2.gz YIFAXXVMTIYRNM-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN CC(C)C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875413830 642619520 /nfs/dbraw/zinc/61/95/20/642619520.db2.gz VNLFESSKCGLMRB-LLVKDONJSA-N 0 0 262.353 2.852 20 10 CFCDRN Cc1ccnc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000875623063 642653571 /nfs/dbraw/zinc/65/35/71/642653571.db2.gz RFNKDUCBCLCJRK-LBPRGKRZSA-N 0 0 285.347 2.656 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000085976818 650792838 /nfs/dbraw/zinc/79/28/38/650792838.db2.gz DSVIBOAPIOQPGF-YUELXQCFSA-N 0 0 263.381 2.984 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc2c(cnn2C)c1 ZINC000876513990 642901043 /nfs/dbraw/zinc/90/10/43/642901043.db2.gz LLDUGBHPTADBTF-UHFFFAOYSA-N 0 0 294.358 2.540 20 10 CFCDRN Cc1ccc(CN(C)Cc2nccn2C(F)F)c(O)c1 ZINC000876585036 642934352 /nfs/dbraw/zinc/93/43/52/642934352.db2.gz WYTBGOKLGNINBD-UHFFFAOYSA-N 0 0 281.306 2.924 20 10 CFCDRN [O-]c1c(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876619567 642948379 /nfs/dbraw/zinc/94/83/79/642948379.db2.gz BIRNFDVZMQSQLM-ZDUSSCGKSA-N 0 0 296.361 2.731 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000876747393 642991940 /nfs/dbraw/zinc/99/19/40/642991940.db2.gz BYNZAGJWVVBCSY-JTQLQIEISA-N 0 0 273.348 2.998 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000876769998 643001801 /nfs/dbraw/zinc/00/18/01/643001801.db2.gz GBRNDGTUBBGYKJ-MFKMUULPSA-N 0 0 289.297 2.852 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc(F)c1F ZINC000876804899 643015950 /nfs/dbraw/zinc/01/59/50/643015950.db2.gz VTLDWOBYARUIMQ-DGCLKSJQSA-N 0 0 283.318 2.671 20 10 CFCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)c(C)c1 ZINC000126187862 643028112 /nfs/dbraw/zinc/02/81/12/643028112.db2.gz VWANSNICRSLJFY-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN Cc1ccc(CNc2cnn(CC(F)F)c2)c(O)c1 ZINC000876877985 643046417 /nfs/dbraw/zinc/04/64/17/643046417.db2.gz MZARUEMBLTXEMS-UHFFFAOYSA-N 0 0 267.279 2.774 20 10 CFCDRN Cc1cc(F)ccc1NC(=O)c1cccc(O)c1O ZINC000126229940 643057094 /nfs/dbraw/zinc/05/70/94/643057094.db2.gz DWPLJFZKBDVRPA-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN CN(C)c1ccc(CNCc2cc(C3CC3)no2)cc1 ZINC000876905874 643060012 /nfs/dbraw/zinc/06/00/12/643060012.db2.gz LSHQHAVOMHETOK-UHFFFAOYSA-N 0 0 271.364 2.908 20 10 CFCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)C1(F)F ZINC000876992603 643096837 /nfs/dbraw/zinc/09/68/37/643096837.db2.gz WPQXMRWRIOMSBD-GHMZBOCLSA-N 0 0 282.334 2.561 20 10 CFCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000126298687 643108948 /nfs/dbraw/zinc/10/89/48/643108948.db2.gz NKYPBOQCKCXCTO-PWSUYJOCSA-N 0 0 263.337 2.796 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000126299148 643110409 /nfs/dbraw/zinc/11/04/09/643110409.db2.gz NKYPBOQCKCXCTO-ZYHUDNBSSA-N 0 0 263.337 2.796 20 10 CFCDRN Cc1nccn1CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877057767 643125544 /nfs/dbraw/zinc/12/55/44/643125544.db2.gz NRIVYAMETLWCGM-UHFFFAOYSA-N 0 0 295.333 2.745 20 10 CFCDRN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064920 643130524 /nfs/dbraw/zinc/13/05/24/643130524.db2.gz GFEYFLWJCBMIOL-ONGXEEELSA-N 0 0 273.323 2.557 20 10 CFCDRN CN(C(=O)c1ccnc(C2CC2)c1)c1ccc(N)cc1 ZINC000877076204 643138567 /nfs/dbraw/zinc/13/85/67/643138567.db2.gz NYCJDNUVYRPVSH-UHFFFAOYSA-N 0 0 267.332 2.818 20 10 CFCDRN Cc1cc(C)n([C@H](C)CC(=O)N(C)c2ccc(N)cc2)n1 ZINC000877077947 643139561 /nfs/dbraw/zinc/13/95/61/643139561.db2.gz WYKZCYABLWPBMS-CYBMUJFWSA-N 0 0 286.379 2.696 20 10 CFCDRN COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877080645 643140604 /nfs/dbraw/zinc/14/06/04/643140604.db2.gz LJCBCFCADJEHLD-LLVKDONJSA-N 0 0 283.274 2.741 20 10 CFCDRN Cc1noc(C)c1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877092763 643148730 /nfs/dbraw/zinc/14/87/30/643148730.db2.gz JSMRYQKLPNLIIQ-UHFFFAOYSA-N 0 0 296.317 2.998 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877095104 643150546 /nfs/dbraw/zinc/15/05/46/643150546.db2.gz WCWUJCGESQSKRU-ZJUUUORDSA-N 0 0 271.307 2.575 20 10 CFCDRN COCCOc1ccc(NCc2ccc(C)cc2O)cn1 ZINC000877114909 643157695 /nfs/dbraw/zinc/15/76/95/643157695.db2.gz BOLOPYHFNNYYGS-UHFFFAOYSA-N 0 0 288.347 2.733 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000877167106 643185358 /nfs/dbraw/zinc/18/53/58/643185358.db2.gz NCVBFAMRPFNEPS-GXFFZTMASA-N 0 0 285.334 2.653 20 10 CFCDRN CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126457008 643231766 /nfs/dbraw/zinc/23/17/66/643231766.db2.gz LRWSELMQAHPTBV-NXEZZACHSA-N 0 0 251.326 2.652 20 10 CFCDRN Cc1cc(F)ccc1CCNC(=O)c1cccc(O)c1O ZINC000126486040 643251320 /nfs/dbraw/zinc/25/13/20/643251320.db2.gz YOPQLQLGJHYHOM-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN Cc1ccc(CN2C[C@H](O)Cc3ccccc32)c(O)c1 ZINC000877484664 643300164 /nfs/dbraw/zinc/30/01/64/643300164.db2.gz FNGZWXJGUHWNSZ-OAHLLOKOSA-N 0 0 269.344 2.624 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571124 643370090 /nfs/dbraw/zinc/37/00/90/643370090.db2.gz WSFLWOCVTGOYSQ-LDYMZIIASA-N 0 0 279.290 2.663 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571123 643370314 /nfs/dbraw/zinc/37/03/14/643370314.db2.gz WSFLWOCVTGOYSQ-KWQFWETISA-N 0 0 279.290 2.663 20 10 CFCDRN COC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877577107 643374554 /nfs/dbraw/zinc/37/45/54/643374554.db2.gz UKGZWWKIECXJGL-LLVKDONJSA-N 0 0 285.334 2.919 20 10 CFCDRN Cc1cc(Cl)cc(CN2Cc3cnn(C)c3C2)c1O ZINC000877633053 643417712 /nfs/dbraw/zinc/41/77/12/643417712.db2.gz XPCVJCQCKNDRNM-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)O1 ZINC000877682906 643451164 /nfs/dbraw/zinc/45/11/64/643451164.db2.gz QWLKSTXVFMHDLT-DNSOKLHBSA-N 0 0 273.735 2.840 20 10 CFCDRN Cc1c(Cl)c(CN2Cc3cccc(O)c3C2)nn1C ZINC000877703046 643468890 /nfs/dbraw/zinc/46/88/90/643468890.db2.gz PGKQYALVGDFVDP-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN CC1(C)C[C@H](O)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877751321 643527333 /nfs/dbraw/zinc/52/73/33/643527333.db2.gz BJVBLJZNMXCIDF-VIFPVBQESA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(F)ccc1O)N2 ZINC000877861060 643610242 /nfs/dbraw/zinc/61/02/42/643610242.db2.gz FLBAYSOQAVKFHX-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN CCOc1cccc([C@H]2Nc3cc(C)ccc3C(=O)N2)c1O ZINC000877863094 643611584 /nfs/dbraw/zinc/61/15/84/643611584.db2.gz DPJRJCAIHPFSAP-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCc3ncnn32)cc1Cl ZINC000878186192 643783873 /nfs/dbraw/zinc/78/38/73/643783873.db2.gz GYVSBWTZAUPTTN-NSHDSACASA-N 0 0 292.770 2.564 20 10 CFCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccs1 ZINC000126972143 643798757 /nfs/dbraw/zinc/79/87/57/643798757.db2.gz VRNLVRWYBKUBQA-UHFFFAOYSA-N 0 0 288.416 2.967 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cccc(O)c1 ZINC000127690437 644245912 /nfs/dbraw/zinc/24/59/12/644245912.db2.gz IDSNNGGQNGCMGG-UHFFFAOYSA-N 0 0 255.317 2.964 20 10 CFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCC1 ZINC000128122635 644494951 /nfs/dbraw/zinc/49/49/51/644494951.db2.gz UGEASEWBERMKCI-LLVKDONJSA-N 0 0 262.353 2.722 20 10 CFCDRN CC1(C)C[C@@H](NC(=O)C2=CC(=O)CS2)CCS1 ZINC000888799178 644521753 /nfs/dbraw/zinc/52/17/53/644521753.db2.gz XKYRRRSZBZORJF-QMMMGPOBSA-N 0 0 271.407 2.858 20 10 CFCDRN CC(C)=CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881212607 644932616 /nfs/dbraw/zinc/93/26/16/644932616.db2.gz HKDHVEQMCCGXFY-UHFFFAOYSA-N 0 0 272.352 2.796 20 10 CFCDRN Nc1ccc(OCc2cn(CCC3CCC3)nn2)cc1 ZINC000881325731 644954262 /nfs/dbraw/zinc/95/42/62/644954262.db2.gz JBGCEPAKRCHMTO-UHFFFAOYSA-N 0 0 272.352 2.630 20 10 CFCDRN Cc1ncnc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000881865798 645144260 /nfs/dbraw/zinc/14/42/60/645144260.db2.gz AKMNRJKHIMIKSI-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251645487 650991771 /nfs/dbraw/zinc/99/17/71/650991771.db2.gz GDOKJUIHVSOZLY-QPUJVOFHSA-N 0 0 289.206 2.868 20 10 CFCDRN C[C@H](NS(=O)(=O)CC1(C)CCC1)c1ccccc1O ZINC000882502759 645347320 /nfs/dbraw/zinc/34/73/20/645347320.db2.gz PSDGIZZRAQXUGC-NSHDSACASA-N 0 0 283.393 2.563 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ncnc(C)c3C)C2)cc1 ZINC000882578119 645374751 /nfs/dbraw/zinc/37/47/51/645374751.db2.gz NNIZGENYSUXIQD-CQSZACIVSA-N 0 0 298.390 2.793 20 10 CFCDRN CN1CCc2cc([C@@H]3NC(=O)c4ccccc4N3C)ccc21 ZINC000130145677 645458569 /nfs/dbraw/zinc/45/85/69/645458569.db2.gz WONHUMFCKWQOMP-QGZVFWFLSA-N 0 0 293.370 2.557 20 10 CFCDRN CC(C)c1cc(NS(=O)(=O)N(C)C(C)C)ccc1O ZINC000882798784 645460550 /nfs/dbraw/zinc/46/05/50/645460550.db2.gz DJENTCDXZUHKBY-UHFFFAOYSA-N 0 0 286.397 2.513 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000883027151 645569148 /nfs/dbraw/zinc/56/91/48/645569148.db2.gz QFJYOBQFSQACKE-AWEZNQCLSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC[C@H]1O ZINC000883027402 645569202 /nfs/dbraw/zinc/56/92/02/645569202.db2.gz AEMUYWJQGPVSLF-HIFRSBDPSA-N 0 0 285.334 2.701 20 10 CFCDRN COCCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000883042845 645578928 /nfs/dbraw/zinc/57/89/28/645578928.db2.gz MJGUTMBGSIHQBO-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C2CCC2)c1 ZINC000130858366 645584070 /nfs/dbraw/zinc/58/40/70/645584070.db2.gz DIRWSBNIACVWAI-WDEREUQCSA-N 0 0 292.379 2.950 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000883150146 645627936 /nfs/dbraw/zinc/62/79/36/645627936.db2.gz XJQCFVBIEZYICE-WCQYABFASA-N 0 0 253.292 2.949 20 10 CFCDRN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883166115 645634563 /nfs/dbraw/zinc/63/45/63/645634563.db2.gz SMQGHTIJOUHXPL-ZDUSSCGKSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000131156740 645638803 /nfs/dbraw/zinc/63/88/03/645638803.db2.gz UXZZLOURBGITGN-AAEUAGOBSA-N 0 0 257.333 2.985 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000883184990 645647256 /nfs/dbraw/zinc/64/72/56/645647256.db2.gz LANAMYCVJUUGIO-JTQLQIEISA-N 0 0 271.307 2.577 20 10 CFCDRN CC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132002577 645863087 /nfs/dbraw/zinc/86/30/87/645863087.db2.gz UTWSQZTXNRFUNV-GFCCVEGCSA-N 0 0 255.745 2.656 20 10 CFCDRN CC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132002781 645863358 /nfs/dbraw/zinc/86/33/58/645863358.db2.gz UTWSQZTXNRFUNV-LBPRGKRZSA-N 0 0 255.745 2.656 20 10 CFCDRN CC1(C)C[C@@]1(C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000883893976 646027506 /nfs/dbraw/zinc/02/75/06/646027506.db2.gz VQJYVLHSKLQBQC-INIZCTEOSA-N 0 0 274.364 2.854 20 10 CFCDRN CC1(C)CC[C@H](CC(=O)Nc2ccc(N)cc2)OC1 ZINC000884009080 646094031 /nfs/dbraw/zinc/09/40/31/646094031.db2.gz KWZNDEVNIOURTP-CYBMUJFWSA-N 0 0 262.353 2.803 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccc(C)c2F)c1 ZINC000133459445 646095470 /nfs/dbraw/zinc/09/54/70/646095470.db2.gz YAKIZZLFPQBAST-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN CC1(C)CO[C@H](CCC(=O)NCCc2ccc(N)cc2)C1 ZINC000884028403 646119733 /nfs/dbraw/zinc/11/97/33/646119733.db2.gz GEWXIDJQDBIEPX-OAHLLOKOSA-N 0 0 290.407 2.523 20 10 CFCDRN CCOc1ccccc1C(=O)NCc1ccccc1O ZINC000133781801 646227700 /nfs/dbraw/zinc/22/77/00/646227700.db2.gz SSRLDPMWZQYART-UHFFFAOYSA-N 0 0 271.316 2.721 20 10 CFCDRN CN(C(=O)c1cnc(CC2CC2)s1)c1ccc(N)cc1 ZINC000884441211 646359403 /nfs/dbraw/zinc/35/94/03/646359403.db2.gz CAUOARGRNXELTI-UHFFFAOYSA-N 0 0 287.388 2.954 20 10 CFCDRN CN(C(=O)C[C@H]1CCC(C)(C)CO1)c1ccc(N)cc1 ZINC000884441631 646360560 /nfs/dbraw/zinc/36/05/60/646360560.db2.gz MJLZRWLMVUJVQT-CQSZACIVSA-N 0 0 276.380 2.827 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000884559790 646450347 /nfs/dbraw/zinc/45/03/47/646450347.db2.gz DYWWAJSIUUPBML-UHFFFAOYSA-N 0 0 287.363 2.556 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886017224 646818800 /nfs/dbraw/zinc/81/88/00/646818800.db2.gz VASFYAJZOKYHBW-BBRMVZONSA-N 0 0 261.365 2.948 20 10 CFCDRN CN(C)c1ccc(C=CCNc2n[nH]c3c2COCC3)cc1 ZINC000886204858 646920367 /nfs/dbraw/zinc/92/03/67/646920367.db2.gz SJSFGLBYFBGQIG-ARJAWSKDSA-N 0 0 298.390 2.674 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1c([O-])cccc1F ZINC000886495263 647019224 /nfs/dbraw/zinc/01/92/24/647019224.db2.gz PPBONTCWZYULEX-LLVKDONJSA-N 0 0 278.371 2.809 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1c([O-])cccc1F ZINC000886524145 647029075 /nfs/dbraw/zinc/02/90/75/647029075.db2.gz DUDAJFSRWPLMIR-YPMHNXCESA-N 0 0 278.371 2.666 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526399 647029699 /nfs/dbraw/zinc/02/96/99/647029699.db2.gz LPLSSTRDJNQQGI-IINYFYTJSA-N 0 0 255.333 2.733 20 10 CFCDRN CCc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886526423 647029896 /nfs/dbraw/zinc/02/98/96/647029896.db2.gz LZSITEVZDBRGQS-SECBINFHSA-N 0 0 263.316 2.668 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1c([O-])cccc1F ZINC000886528546 647031247 /nfs/dbraw/zinc/03/12/47/647031247.db2.gz NXPFEWAAVUHOFT-MNOVXSKESA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886530928 647031687 /nfs/dbraw/zinc/03/16/87/647031687.db2.gz STICBSCEAGYEOJ-GWCFXTLKSA-N 0 0 279.311 2.817 20 10 CFCDRN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886530974 647032505 /nfs/dbraw/zinc/03/25/05/647032505.db2.gz UONTUNBTNKEWEZ-QWHCGFSZSA-N 0 0 297.370 2.625 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1c([O-])cccc1F ZINC000886534974 647035025 /nfs/dbraw/zinc/03/50/25/647035025.db2.gz SBOAADUHUGXHSQ-VXGBXAGGSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1c([O-])cccc1F ZINC000886538145 647036060 /nfs/dbraw/zinc/03/60/60/647036060.db2.gz CEZWMLGPOPASPI-QMTHXVAHSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886561925 647048015 /nfs/dbraw/zinc/04/80/15/647048015.db2.gz MPXIITVEWLUPOX-NEPJUHHUSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886587652 647055790 /nfs/dbraw/zinc/05/57/90/647055790.db2.gz CEUDMIZQLRGJEA-MNOVXSKESA-N 0 0 253.317 2.609 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886594958 647059199 /nfs/dbraw/zinc/05/91/99/647059199.db2.gz XPDJUUCYOXKODF-MJKAUQOVSA-N 0 0 253.317 2.509 20 10 CFCDRN C[C@H]([NH2+]CCOC(F)(F)F)c1c([O-])cccc1F ZINC000886598535 647061420 /nfs/dbraw/zinc/06/14/20/647061420.db2.gz COXRJWPXMCWKQZ-ZETCQYMHSA-N 0 0 267.222 2.718 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1c([O-])cccc1F ZINC000886605236 647063184 /nfs/dbraw/zinc/06/31/84/647063184.db2.gz MDMZXCFJLRHTNK-CMPLNLGQSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1c([O-])cccc1F ZINC000886606817 647064185 /nfs/dbraw/zinc/06/41/85/647064185.db2.gz GWBURRXMQNRNIU-NSHDSACASA-N 0 0 289.354 2.915 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1c([O-])cccc1F ZINC000886608809 647064846 /nfs/dbraw/zinc/06/48/46/647064846.db2.gz GFVZPBMSOYHHGR-ATZCPNFKSA-N 0 0 255.358 2.933 20 10 CFCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886614090 647068102 /nfs/dbraw/zinc/06/81/02/647068102.db2.gz MZVQJAXYDUIUGZ-RYUDHWBXSA-N 0 0 296.386 2.734 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1c([O-])cccc1F ZINC000886617594 647070378 /nfs/dbraw/zinc/07/03/78/647070378.db2.gz UACJUMOZRSZCBA-JTQLQIEISA-N 0 0 255.333 2.591 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886628701 647076108 /nfs/dbraw/zinc/07/61/08/647076108.db2.gz ZXWWKUQDVNQVHU-NWDGAFQWSA-N 0 0 297.370 2.766 20 10 CFCDRN COC1([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886628700 647076504 /nfs/dbraw/zinc/07/65/04/647076504.db2.gz ZXWWKUQDVNQVHU-NEPJUHHUSA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886632909 647078923 /nfs/dbraw/zinc/07/89/23/647078923.db2.gz JIGYBLFWTARZSX-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886632910 647078982 /nfs/dbraw/zinc/07/89/82/647078982.db2.gz JIGYBLFWTARZSX-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+]CC1SCCS1)c1c([O-])cccc1F ZINC000886640459 647083077 /nfs/dbraw/zinc/08/30/77/647083077.db2.gz ZVMCJWHKVBPVRP-QMMMGPOBSA-N 0 0 273.398 2.988 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c([O-])cccc1F ZINC000886650599 647089480 /nfs/dbraw/zinc/08/94/80/647089480.db2.gz ZMFCGFQZEINFOV-GHMZBOCLSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000886670089 647100978 /nfs/dbraw/zinc/10/09/78/647100978.db2.gz JCBRAYPMDSGJMD-NFAWXSAZSA-N 0 0 297.370 2.502 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000886961557 647183146 /nfs/dbraw/zinc/18/31/46/647183146.db2.gz TURFPXQQHXGFAU-AWEZNQCLSA-N 0 0 289.379 2.740 20 10 CFCDRN CO[C@@H](C)c1nsc(NCc2ccccc2O)n1 ZINC000302386962 647406113 /nfs/dbraw/zinc/40/61/13/647406113.db2.gz FKJGLRLUXIMJSK-QMMMGPOBSA-N 0 0 265.338 2.563 20 10 CFCDRN COC(C)(C)[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000925525267 648199363 /nfs/dbraw/zinc/19/93/63/648199363.db2.gz GXTBAESHGUINGQ-QWRGUYRKSA-N 0 0 280.368 2.566 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCS1 ZINC000926140933 648415570 /nfs/dbraw/zinc/41/55/70/648415570.db2.gz CHYPQZVDBDWWDP-JOYOIKCWSA-N 0 0 265.382 2.674 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(F)cc1[O-] ZINC000927062574 648693537 /nfs/dbraw/zinc/69/35/37/648693537.db2.gz YVBUBWZFYVWABA-LHAJWOIZSA-N 0 0 295.354 2.864 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CCS1 ZINC000927228550 648741695 /nfs/dbraw/zinc/74/16/95/648741695.db2.gz PUWSVSDTUPILMP-VHSXEESVSA-N 0 0 298.383 2.615 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](c2ccccn2)C2CC2)c(O)c1O ZINC000928611003 648932902 /nfs/dbraw/zinc/93/29/02/648932902.db2.gz DCURHGIZBMNUCS-CQSZACIVSA-N 0 0 298.342 2.682 20 10 CFCDRN C[C@H]1CC/C(=C\C(=O)NCc2c(O)cccc2F)C1 ZINC000928705499 648944618 /nfs/dbraw/zinc/94/46/18/648944618.db2.gz KPVDPLXTZWQIKK-NGPGYTDTSA-N 0 0 263.312 2.894 20 10 CFCDRN CCC1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC000928705285 648944737 /nfs/dbraw/zinc/94/47/37/648944737.db2.gz ISQGTOMWVGSLLY-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1(F)CCCCC1 ZINC000928706013 648945005 /nfs/dbraw/zinc/94/50/05/648945005.db2.gz NPJFMEACSZEIFK-UHFFFAOYSA-N 0 0 269.291 2.820 20 10 CFCDRN CCC(CC)CC(=O)NCc1c(O)cccc1F ZINC000928706273 648945016 /nfs/dbraw/zinc/94/50/16/648945016.db2.gz UFAZRONPHMLUEK-UHFFFAOYSA-N 0 0 253.317 2.974 20 10 CFCDRN C[C@H](Cc1ccco1)C(=O)NCc1c(O)cccc1F ZINC000928708278 648945520 /nfs/dbraw/zinc/94/55/20/648945520.db2.gz BSZJJALUQBXLCE-SNVBAGLBSA-N 0 0 277.295 2.619 20 10 CFCDRN CCC1=C(C(=O)NCc2c(O)cccc2F)CCCO1 ZINC000928709234 648946093 /nfs/dbraw/zinc/94/60/93/648946093.db2.gz ZMKPEGTWFRIGKJ-UHFFFAOYSA-N 0 0 279.311 2.622 20 10 CFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000928712687 648946773 /nfs/dbraw/zinc/94/67/73/648946773.db2.gz UIDUSVAMFDMIOM-JTQLQIEISA-N 0 0 277.295 2.934 20 10 CFCDRN COC/C(C)=C/CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000929708542 649102659 /nfs/dbraw/zinc/10/26/59/649102659.db2.gz WOCKSRNZIFFICK-KPKJPENVSA-N 0 0 295.379 2.741 20 10 CFCDRN CCN(C/C(C)=C/C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000929896696 649146001 /nfs/dbraw/zinc/14/60/01/649146001.db2.gz GCWAJHDNKTZYNR-FMIVXFBMSA-N 0 0 293.363 2.649 20 10 CFCDRN COC(=O)C1(NCc2ccc(OC)c(C)c2)CCCC1 ZINC000930104716 649185047 /nfs/dbraw/zinc/18/50/47/649185047.db2.gz DIHRGXVCVFRGNI-UHFFFAOYSA-N 0 0 277.364 2.579 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C/c2cn(C)cn2)c1C ZINC000930317477 649229677 /nfs/dbraw/zinc/22/96/77/649229677.db2.gz APJHNLXCXGAQCE-CMDGGOBGSA-N 0 0 269.348 2.713 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@]34C[C@H]3CCC4)ccc21 ZINC000931152222 649388149 /nfs/dbraw/zinc/38/81/49/649388149.db2.gz LEOFHJZNEOJUSA-CRAIPNDOSA-N 0 0 284.403 2.875 20 10 CFCDRN CC(C)n1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000931244880 649396386 /nfs/dbraw/zinc/39/63/86/649396386.db2.gz ZYGWIYMHAYBRRI-UHFFFAOYSA-N 0 0 286.335 2.717 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CCCCc3ccccc32)c1 ZINC000931905700 649507263 /nfs/dbraw/zinc/50/72/63/649507263.db2.gz OFTWIVWUMSMTAE-MDZDMXLPSA-N 0 0 281.359 2.803 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2C2CC2)c1 ZINC000934536129 649798487 /nfs/dbraw/zinc/79/84/87/649798487.db2.gz CXFHLMVZRDWSPI-UHFFFAOYSA-N 0 0 286.335 2.554 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000098074444 651067159 /nfs/dbraw/zinc/06/71/59/651067159.db2.gz QYIGCPWYRPOZNJ-UHFFFAOYSA-N 0 0 291.734 2.724 20 10 CFCDRN Cc1cc(C)cc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000098074495 651067161 /nfs/dbraw/zinc/06/71/61/651067161.db2.gz FZZXESSTEUEKBA-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN C[C@H]1[NH2+]CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000379453457 782267859 /nfs/dbraw/zinc/26/78/59/782267859.db2.gz LCIUDEHYHTXEMB-RKDXNWHRSA-N 0 0 289.206 2.881 20 10 CFCDRN Cc1ccnc(F)c1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001243555032 782277324 /nfs/dbraw/zinc/27/73/24/782277324.db2.gz ZXAXFHVKEHIPMY-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN Cc1cc(Br)cc(CN2CCCC(=O)C2)c1O ZINC001233110226 777797238 /nfs/dbraw/zinc/79/72/38/777797238.db2.gz GSVBDTWZKOWJJI-UHFFFAOYSA-N 0 0 298.180 2.628 20 10 CFCDRN CC(C)Oc1ncccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001236102531 778695053 /nfs/dbraw/zinc/69/50/53/778695053.db2.gz LPWRUUVWAWBBPI-UHFFFAOYSA-N 0 0 295.342 2.783 20 10 CFCDRN COc1cncc(-c2nccc3c2ccn3C)c1C ZINC001236370596 778795664 /nfs/dbraw/zinc/79/56/64/778795664.db2.gz HOPHHGOQGGONLE-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237493103 779691206 /nfs/dbraw/zinc/69/12/06/779691206.db2.gz VLDMSEPQKLANTO-OAHLLOKOSA-N 0 0 275.392 2.949 20 10 CFCDRN Oc1ccc(F)cc1CN1CCc2nc(Cl)ncc2C1 ZINC001140054910 770105084 /nfs/dbraw/zinc/10/50/84/770105084.db2.gz ADTMVYIMXVJWSE-UHFFFAOYSA-N 0 0 293.729 2.533 20 10 CFCDRN CCn1cc(NCc2c(O)cccc2Br)cn1 ZINC000706818063 770521384 /nfs/dbraw/zinc/52/13/84/770521384.db2.gz DGQZNWVDLDSGQQ-UHFFFAOYSA-N 0 0 296.168 2.983 20 10 CFCDRN COCc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588404310 770532864 /nfs/dbraw/zinc/53/28/64/770532864.db2.gz JDDKHLUZERDFDR-VURMDHGXSA-N 0 0 299.326 2.896 20 10 CFCDRN Cc1cccnc1/C=C\C(=O)N(C)Cc1ccccc1O ZINC000588455639 770740443 /nfs/dbraw/zinc/74/04/43/770740443.db2.gz QSMZWKXIYMECSS-KTKRTIGZSA-N 0 0 282.343 2.767 20 10 CFCDRN CC[NH+](CC)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583680 770965030 /nfs/dbraw/zinc/96/50/30/770965030.db2.gz QQDCBUGJBLPJOT-LBPRGKRZSA-N 0 0 284.350 2.587 20 10 CFCDRN C/C=C\C[C@@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000588582205 775164843 /nfs/dbraw/zinc/16/48/43/775164843.db2.gz ZTJADIZZTMAYRJ-XADBCAIWSA-N 0 0 273.735 2.601 20 10 CFCDRN CCN(CC)c1ccc(CN2CC3(C2)CCCO3)c(O)c1 ZINC001140850539 775564156 /nfs/dbraw/zinc/56/41/56/775564156.db2.gz OORIDQMWFUMJDO-UHFFFAOYSA-N 0 0 290.407 2.603 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC(F)CC2)c1O ZINC000689883753 775974538 /nfs/dbraw/zinc/97/45/38/775974538.db2.gz HCYGJPNIWPQNCK-UHFFFAOYSA-N 0 0 269.291 2.668 20 10 CFCDRN CCOC(=O)[C@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227939346 776334922 /nfs/dbraw/zinc/33/49/22/776334922.db2.gz SXKMPZDUXVWJRV-NSHDSACASA-N 0 0 291.269 2.625 20 10 CFCDRN CN(C)c1ccc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1 ZINC001227939562 776335313 /nfs/dbraw/zinc/33/53/13/776335313.db2.gz ZPFCQPOLNXPKTK-OAHLLOKOSA-N 0 0 287.319 2.544 20 10 CFCDRN O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CCO3)cccc21 ZINC001228072798 776385159 /nfs/dbraw/zinc/38/51/59/776385159.db2.gz FRJOMOAJHNRURO-NSHDSACASA-N 0 0 294.306 2.630 20 10 CFCDRN CC(=O)N1CCN(c2ccc(O[C@H](C)C3CC3)cc2)CC1 ZINC001228204232 776421182 /nfs/dbraw/zinc/42/11/82/776421182.db2.gz IVMVGFHAAJOUDW-CYBMUJFWSA-N 0 0 288.391 2.532 20 10 CFCDRN COCC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685672 776617296 /nfs/dbraw/zinc/61/72/96/776617296.db2.gz SHNDASAXUAGORT-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN CCc1nc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cs1 ZINC000237060407 776953668 /nfs/dbraw/zinc/95/36/68/776953668.db2.gz JSQDPQILEUZDKK-SNVBAGLBSA-N 0 0 289.404 2.708 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ZINC000761334726 778919933 /nfs/dbraw/zinc/91/99/33/778919933.db2.gz IURYPEBVCRVFNS-UHFFFAOYSA-N 0 0 286.278 2.968 20 10 CFCDRN CCc1ccc(C[N@H+](CC(=O)OC)C2CCCC2)c(O)c1 ZINC001236791309 778936377 /nfs/dbraw/zinc/93/63/77/778936377.db2.gz GJBHLIYFKDBKBM-UHFFFAOYSA-N 0 0 291.391 2.872 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC001236794156 778938535 /nfs/dbraw/zinc/93/85/35/778938535.db2.gz QGBILEZTPCQUBJ-SECBINFHSA-N 0 0 276.163 2.656 20 10 CFCDRN COc1cc(O)c(CN2CCCC(=O)[C@H](C)C2)c(Cl)c1 ZINC001236799088 778942594 /nfs/dbraw/zinc/94/25/94/778942594.db2.gz RCTXLAUQIKLDCM-SNVBAGLBSA-N 0 0 297.782 2.855 20 10 CFCDRN COc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1Cl ZINC001236803346 778944693 /nfs/dbraw/zinc/94/46/93/778944693.db2.gz SGIQFVYIPBREHH-JTQLQIEISA-N 0 0 285.771 2.523 20 10 CFCDRN COc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c([O-])c1Cl ZINC001236803348 778945586 /nfs/dbraw/zinc/94/55/86/778945586.db2.gz SGIQFVYIPBREHH-SNVBAGLBSA-N 0 0 285.771 2.523 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1Cl ZINC001236801487 778945753 /nfs/dbraw/zinc/94/57/53/778945753.db2.gz JXEAJPVWJLPAGS-ZUZCIYMTSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(O)c(CN(C)CC(F)F)c(Cl)c1 ZINC001236805386 778947423 /nfs/dbraw/zinc/94/74/23/778947423.db2.gz FDMPUVZNFVKYRV-UHFFFAOYSA-N 0 0 265.687 2.751 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001236808956 778948347 /nfs/dbraw/zinc/94/83/47/778948347.db2.gz SFTMCCCIKYUCQE-KRWDZBQOSA-N 0 0 291.391 2.854 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001236810477 778948365 /nfs/dbraw/zinc/94/83/65/778948365.db2.gz HQDBBBCPSXWYRP-NSHDSACASA-N 0 0 253.317 2.643 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236809648 778948975 /nfs/dbraw/zinc/94/89/75/778948975.db2.gz ZJIJYYNFLJOSQZ-CABCVRRESA-N 0 0 285.334 2.981 20 10 CFCDRN CCOC1CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237077002 779005741 /nfs/dbraw/zinc/00/57/41/779005741.db2.gz BJRIGRGGZXVEIX-UHFFFAOYSA-N 0 0 276.163 2.920 20 10 CFCDRN CC(C)c1ccc(CN2Cc3cncnc3C2)c(O)c1 ZINC001237045431 778997851 /nfs/dbraw/zinc/99/78/51/778997851.db2.gz KOWWOVPWKRZGLN-UHFFFAOYSA-N 0 0 269.348 2.821 20 10 CFCDRN CC(C)c1ccc(CN2CC3(C2)CCCO3)c(O)c1 ZINC001237046006 778999214 /nfs/dbraw/zinc/99/92/14/778999214.db2.gz PACWRWYKSXABFI-UHFFFAOYSA-N 0 0 261.365 2.880 20 10 CFCDRN CCOc1ccc(CN2C[C@@H](F)C[C@H]2CF)c(O)c1 ZINC001237051003 779000046 /nfs/dbraw/zinc/00/00/46/779000046.db2.gz ZLBFMFFHDZPAKA-RYUDHWBXSA-N 0 0 271.307 2.673 20 10 CFCDRN C[C@H]1COCCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237076898 779005111 /nfs/dbraw/zinc/00/51/11/779005111.db2.gz AGHFGZFQZZRYLK-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC001237078338 779006553 /nfs/dbraw/zinc/00/65/53/779006553.db2.gz PVKBHPPYOSDYNS-MWLCHTKSSA-N 0 0 294.153 2.604 20 10 CFCDRN C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)CCO1 ZINC001237078565 779007058 /nfs/dbraw/zinc/00/70/58/779007058.db2.gz USFHRCUZGKTGQT-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078377 779007437 /nfs/dbraw/zinc/00/74/37/779007437.db2.gz QKAJONSYWCKEGZ-BDAKNGLRSA-N 0 0 290.190 2.902 20 10 CFCDRN OC[C@@H]1C[C@H](F)CN1Cc1c(O)ccc(Cl)c1Cl ZINC001237077415 779007644 /nfs/dbraw/zinc/00/76/44/779007644.db2.gz HMKNZVFHYLCKGV-YUMQZZPRSA-N 0 0 294.153 2.604 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077726 779007736 /nfs/dbraw/zinc/00/77/36/779007736.db2.gz JYWJFCZURLQGDQ-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(CCO2)C1 ZINC001237084644 779009100 /nfs/dbraw/zinc/00/91/00/779009100.db2.gz MTVBIVGMLLVXKZ-UHFFFAOYSA-N 0 0 274.147 2.674 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN(C1CC1)C1COC1 ZINC001237123050 779019074 /nfs/dbraw/zinc/01/90/74/779019074.db2.gz BGOHDFUMDHHARK-UHFFFAOYSA-N 0 0 271.719 2.548 20 10 CFCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237125069 779020469 /nfs/dbraw/zinc/02/04/69/779020469.db2.gz WPTZOCVKAMPCNJ-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415928 779040754 /nfs/dbraw/zinc/04/07/54/779040754.db2.gz ONNKTEWPCBWQND-ONGXEEELSA-N 0 0 289.297 2.756 20 10 CFCDRN C[C@@H]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950241 779110016 /nfs/dbraw/zinc/11/00/16/779110016.db2.gz SXHGHQGTLNHYCP-RKDXNWHRSA-N 0 0 260.293 2.608 20 10 CFCDRN Oc1cccc(Cl)c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000698953950 779110625 /nfs/dbraw/zinc/11/06/25/779110625.db2.gz SYVNGCMVTDFMHN-NSHDSACASA-N 0 0 295.688 2.809 20 10 CFCDRN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(C)cccc3O)C[C@@H]21 ZINC001237488214 779119241 /nfs/dbraw/zinc/11/92/41/779119241.db2.gz KBWNLYYCEXJTLN-UKPHBRMFSA-N 0 0 275.392 2.948 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001237491280 779119362 /nfs/dbraw/zinc/11/93/62/779119362.db2.gz JOVDIRJBBLUYQM-GAFUQQFSSA-N 0 0 287.281 2.605 20 10 CFCDRN Cc1cccc(O)c1CN(C)CC(=O)OCc1ccccc1 ZINC001237493630 779120509 /nfs/dbraw/zinc/12/05/09/779120509.db2.gz CSVFJUQMUOQJGG-UHFFFAOYSA-N 0 0 299.370 2.876 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCOCC1 ZINC001237618819 779145629 /nfs/dbraw/zinc/14/56/29/779145629.db2.gz JGUUBQDMTHWMBI-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237622467 779146246 /nfs/dbraw/zinc/14/62/46/779146246.db2.gz SDQSCIGSFOICLZ-XTWCZFFVSA-N 0 0 285.746 2.651 20 10 CFCDRN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622603 779147555 /nfs/dbraw/zinc/14/75/55/779147555.db2.gz VGASCDIKHLAZTF-LDYMZIIASA-N 0 0 273.735 2.530 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@@H](F)[C@H](F)C2)c1O ZINC001237680668 779159612 /nfs/dbraw/zinc/15/96/12/779159612.db2.gz GRQAKCAMKHOHEM-GHMZBOCLSA-N 0 0 261.699 2.846 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])C[C@H](C)[N@H+]1C ZINC001237800351 779182328 /nfs/dbraw/zinc/18/23/28/779182328.db2.gz YBZHWAJGJBFYDB-AOOOYVTPSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001237933653 779210138 /nfs/dbraw/zinc/21/01/38/779210138.db2.gz FJCFQTYAVPHAJY-YMTOWFKASA-N 0 0 287.762 2.778 20 10 CFCDRN CCOC(=O)CN(CC)Cc1cc(F)c(Cl)cc1O ZINC001237940817 779211733 /nfs/dbraw/zinc/21/17/33/779211733.db2.gz NXPHNAWPBJYYEF-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN CC(=O)[C@@H]1CCCN1Cc1cc(F)c(Cl)cc1O ZINC001237940764 779212005 /nfs/dbraw/zinc/21/20/05/779212005.db2.gz CYGXZBNNVKKRMJ-LBPRGKRZSA-N 0 0 271.719 2.738 20 10 CFCDRN CC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941606 779213301 /nfs/dbraw/zinc/21/33/01/779213301.db2.gz ZDZRDTYJBLRYLH-VIFPVBQESA-N 0 0 271.719 2.596 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC[C@H]1CO ZINC001237946401 779215143 /nfs/dbraw/zinc/21/51/43/779215143.db2.gz LDKLRXDVCJCZHT-JTQLQIEISA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)[C@H](C)CO1 ZINC001237949215 779215194 /nfs/dbraw/zinc/21/51/94/779215194.db2.gz ITUVHLFBHLCPJY-RKDXNWHRSA-N 0 0 273.735 2.794 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001238057815 779240631 /nfs/dbraw/zinc/24/06/31/779240631.db2.gz NVDKBYAEKBCRBO-LRDDRELGSA-N 0 0 281.371 2.823 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC001238058999 779241067 /nfs/dbraw/zinc/24/10/67/779241067.db2.gz XCKPSPDDOUFGPC-HNNXBMFYSA-N 0 0 267.344 2.577 20 10 CFCDRN Cc1cc(F)cc(CN2CCC(=O)[C@@H](C)CC2)c1O ZINC001238060149 779242389 /nfs/dbraw/zinc/24/23/89/779242389.db2.gz FYAHXXBNJSLKDA-JTQLQIEISA-N 0 0 265.328 2.641 20 10 CFCDRN Cc1cc(F)cc(CN2CCCCC23COC3)c1O ZINC001238061935 779242451 /nfs/dbraw/zinc/24/24/51/779242451.db2.gz LYULPVLXCNKMEL-UHFFFAOYSA-N 0 0 265.328 2.595 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001236063582 779457248 /nfs/dbraw/zinc/45/72/48/779457248.db2.gz WTMFDPLYCOGYKK-UHFFFAOYSA-N 0 0 287.190 2.635 20 10 CFCDRN CNc1ccc(-c2ccnc3c2ccn3C)c(F)n1 ZINC001239429015 779562272 /nfs/dbraw/zinc/56/22/72/779562272.db2.gz MWWJPXUPAIIEMK-UHFFFAOYSA-N 0 0 256.284 2.816 20 10 CFCDRN C[C@@H]1COCCN1Cc1cc(Cl)c(Cl)cc1O ZINC001236793282 779637458 /nfs/dbraw/zinc/63/74/58/779637458.db2.gz JVLAWFPHAXEMDP-MRVPVSSYSA-N 0 0 276.163 2.920 20 10 CFCDRN COc1ccc(C[NH+]2CCC(F)CC2)c([O-])c1Cl ZINC001236801256 779640577 /nfs/dbraw/zinc/64/05/77/779640577.db2.gz IOMHQNMBYAHDKC-UHFFFAOYSA-N 0 0 273.735 2.988 20 10 CFCDRN CO[C@H](C)C1C[NH+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941602 779724967 /nfs/dbraw/zinc/72/49/67/779724967.db2.gz ZBIJDKTXLMMKSV-MRVPVSSYSA-N 0 0 273.735 2.651 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000386423340 779924250 /nfs/dbraw/zinc/92/42/50/779924250.db2.gz PPQUMPGKOJDGSS-UHFFFAOYSA-N 0 0 297.402 2.536 20 10 CFCDRN Fc1cc(-c2noc(-c3csnn3)n2)cc(F)c1F ZINC001212362114 779993153 /nfs/dbraw/zinc/99/31/53/779993153.db2.gz NLQJKDJEPGTPBL-UHFFFAOYSA-N 0 0 284.222 2.672 20 10 CFCDRN Cc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001240226408 780014419 /nfs/dbraw/zinc/01/44/19/780014419.db2.gz FTQWDMAXXMJNNA-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN Cc1nn(C)cc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001240303919 780060486 /nfs/dbraw/zinc/06/04/86/780060486.db2.gz UEAJQTJPRIBNTJ-UHFFFAOYSA-N 0 0 297.333 2.745 20 10 CFCDRN Cc1snnc1-c1nc(-c2cnc(C)c(C)c2)no1 ZINC001212405358 780095257 /nfs/dbraw/zinc/09/52/57/780095257.db2.gz QAPUFWXOQRVEEG-UHFFFAOYSA-N 0 0 273.321 2.575 20 10 CFCDRN Cc1n[nH]cc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001240522605 780230194 /nfs/dbraw/zinc/23/01/94/780230194.db2.gz KVMGUTHUCDLQCP-UHFFFAOYSA-N 0 0 283.306 2.734 20 10 CFCDRN CN(C)c1nccnc1-c1ccc2ccn(C)c2c1 ZINC001240571069 780263712 /nfs/dbraw/zinc/26/37/12/780263712.db2.gz SRFRIYUUPOTGRN-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CCNC(=O)c1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240574681 780265757 /nfs/dbraw/zinc/26/57/57/780265757.db2.gz XRQIKHKJHMKQGX-UHFFFAOYSA-N 0 0 279.343 2.990 20 10 CFCDRN COc1ncnc(C)c1-c1ccc2ccn(C)c2c1 ZINC001240574625 780266136 /nfs/dbraw/zinc/26/61/36/780266136.db2.gz UWCTZIDGUOZZBW-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnc(C3CC3)nc2)n1 ZINC001240682445 780354075 /nfs/dbraw/zinc/35/40/75/780354075.db2.gz CAFPSNBAUUVITJ-UHFFFAOYSA-N 0 0 265.320 2.611 20 10 CFCDRN O=c1cc(-c2cnc(C3CC3)nc2)ccn1CC1CC1 ZINC001240687382 780360950 /nfs/dbraw/zinc/36/09/50/780360950.db2.gz QSBMQGVEBNWYQV-UHFFFAOYSA-N 0 0 267.332 2.593 20 10 CFCDRN Oc1c(F)cc(F)cc1Nc1c(F)cncc1F ZINC001212477384 780391479 /nfs/dbraw/zinc/39/14/79/780391479.db2.gz BZPVVSAYJJJGHB-UHFFFAOYSA-N 0 0 258.174 2.509 20 10 CFCDRN CCO[C@H](C)n1cc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001240757804 780420824 /nfs/dbraw/zinc/42/08/24/780420824.db2.gz CHQGDINNADHDTR-GFCCVEGCSA-N 0 0 297.358 2.957 20 10 CFCDRN COc1c(C)ccc(F)c1N(CCO)c1ccc(N)cc1 ZINC001214534779 780457928 /nfs/dbraw/zinc/45/79/28/780457928.db2.gz RZAPVDAGXOHLPV-UHFFFAOYSA-N 0 0 290.338 2.855 20 10 CFCDRN Cc1cc(C)c(CNC(=O)CCC(F)(F)F)c(O)c1 ZINC001143146844 780529607 /nfs/dbraw/zinc/52/96/07/780529607.db2.gz GXGPTZCJASAJCU-UHFFFAOYSA-N 0 0 275.270 2.968 20 10 CFCDRN Cn1ccc(-c2cnc3ccc(F)cc3c2)cc1=O ZINC001240989277 780576533 /nfs/dbraw/zinc/57/65/33/780576533.db2.gz WJXGISDTBLQBOD-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN CC(C)Sc1ccc(-c2ccn(C)c(=O)c2)cn1 ZINC001240991224 780577690 /nfs/dbraw/zinc/57/76/90/780577690.db2.gz DQYZNRKIZUZBQP-UHFFFAOYSA-N 0 0 260.362 2.948 20 10 CFCDRN Nc1ccccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001241075532 780627847 /nfs/dbraw/zinc/62/78/47/780627847.db2.gz LKURGRSSALNBTN-UHFFFAOYSA-N 0 0 277.327 2.541 20 10 CFCDRN CSc1cc(C)c(C(=O)NCc2ccc(O)cc2O)o1 ZINC001162278787 780656141 /nfs/dbraw/zinc/65/61/41/780656141.db2.gz MQQHZWPPSIUNNB-UHFFFAOYSA-N 0 0 293.344 2.651 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCO[C@@H](CCF)C1 ZINC000700591442 780702762 /nfs/dbraw/zinc/70/27/62/780702762.db2.gz MZWXUJIUMXJHTF-NSHDSACASA-N 0 0 273.735 2.606 20 10 CFCDRN [O-]c1c(C[NH2+]CCN2CCCCCC2)ccc(F)c1F ZINC000700787072 780720099 /nfs/dbraw/zinc/72/00/99/780720099.db2.gz DULTXLYBJSYZKL-UHFFFAOYSA-N 0 0 284.350 2.636 20 10 CFCDRN COc1ncncc1C1=CCN(c2ccccc2)CC1 ZINC001241354534 780805258 /nfs/dbraw/zinc/80/52/58/780805258.db2.gz DLOWGEFBEWJRNM-UHFFFAOYSA-N 0 0 267.332 2.779 20 10 CFCDRN COc1ncc(C)cc1-c1nnc(C)cc1-c1nccn1C ZINC001241363204 780813866 /nfs/dbraw/zinc/81/38/66/780813866.db2.gz UUMCEDMUPREVKU-UHFFFAOYSA-N 0 0 295.346 2.565 20 10 CFCDRN COc1ncc(-c2cc(=O)n(C)c3ccccc23)s1 ZINC001241415630 780861171 /nfs/dbraw/zinc/86/11/71/780861171.db2.gz AGWMLEIYVQBIKV-UHFFFAOYSA-N 0 0 272.329 2.671 20 10 CFCDRN Cc1nc([C@H]2CCC[N@H+](Cc3c([O-])cccc3F)C2)no1 ZINC001137832080 780877919 /nfs/dbraw/zinc/87/79/19/780877919.db2.gz ZZGICMRQWPKNLI-NSHDSACASA-N 0 0 291.326 2.602 20 10 CFCDRN CC[C@@H](CSC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703278136 781001694 /nfs/dbraw/zinc/00/16/94/781001694.db2.gz ZQFOMWRVMGEADL-VIFPVBQESA-N 0 0 261.337 2.902 20 10 CFCDRN CC1(C)SC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703256659 781005085 /nfs/dbraw/zinc/00/50/85/781005085.db2.gz AYPRVUAFWFZTGZ-VIFPVBQESA-N 0 0 259.321 2.654 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO1 ZINC000703541326 781027198 /nfs/dbraw/zinc/02/71/98/781027198.db2.gz NFUOQMRJLOJQHW-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN COC[C@H]1CCCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703560499 781035861 /nfs/dbraw/zinc/03/58/61/781035861.db2.gz ALXUUNOERMFJBR-NSHDSACASA-N 0 0 285.334 2.919 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703592920 781036213 /nfs/dbraw/zinc/03/62/13/781036213.db2.gz JVKFDWMGDSPMOQ-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN CCOCC[N@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC000703614726 781039415 /nfs/dbraw/zinc/03/94/15/781039415.db2.gz BZJLAOAKMUHBNC-UHFFFAOYSA-N 0 0 259.296 2.529 20 10 CFCDRN CCOc1ccc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001241708072 781087720 /nfs/dbraw/zinc/08/77/20/781087720.db2.gz ZBYDMFIZBFYPPV-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn(C2CCC2)c1 ZINC001241720246 781092900 /nfs/dbraw/zinc/09/29/00/781092900.db2.gz QBPUHCCTWLKKFR-UHFFFAOYSA-N 0 0 253.309 2.557 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2cnn(C3CCC3)c2)nn1 ZINC001241721044 781093694 /nfs/dbraw/zinc/09/36/94/781093694.db2.gz MVPWSXUUVJNYCI-UHFFFAOYSA-N 0 0 294.362 2.774 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cnn(-c2ccccc2)c1 ZINC001241754098 781111709 /nfs/dbraw/zinc/11/17/09/781111709.db2.gz RLCFTHDNQUQGOO-UHFFFAOYSA-N 0 0 275.315 2.821 20 10 CFCDRN C[C@@H](CC(=O)N(C)c1ccc(N)cc1)C(F)(F)F ZINC000705436527 781139892 /nfs/dbraw/zinc/13/98/92/781139892.db2.gz AUYBYSKRVGOCHN-QMMMGPOBSA-N 0 0 260.259 2.820 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001137837896 781140697 /nfs/dbraw/zinc/14/06/97/781140697.db2.gz YHWNPJXEKBJTED-ZDUSSCGKSA-N 0 0 272.323 2.916 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccccc1O)C(F)(F)F ZINC000705559257 781141647 /nfs/dbraw/zinc/14/16/47/781141647.db2.gz OOVMAKJNPPNMEI-QMMMGPOBSA-N 0 0 261.243 2.597 20 10 CFCDRN COC(=O)c1nc(-c2cccc3c2ccn3C)cnc1C ZINC001241819801 781143008 /nfs/dbraw/zinc/14/30/08/781143008.db2.gz CIUHSWMIBYENHU-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cc1ncc(CNCc2c(O)cccc2Br)o1 ZINC000706804266 781203848 /nfs/dbraw/zinc/20/38/48/781203848.db2.gz HIKILRVRRAOCGF-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN CC[C@@](C)(C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708392012 781271361 /nfs/dbraw/zinc/27/13/61/781271361.db2.gz YYTJHGFRJKAUTB-ZDUSSCGKSA-N 0 0 259.296 2.575 20 10 CFCDRN CC1CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708394177 781271999 /nfs/dbraw/zinc/27/19/99/781271999.db2.gz QZEYCYZWKWVVKB-UHFFFAOYSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1cc(C)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000708481067 781272090 /nfs/dbraw/zinc/27/20/90/781272090.db2.gz NWZNTVFSHXNUGM-UHFFFAOYSA-N 0 0 278.302 2.972 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCSCC1 ZINC000708465041 781276549 /nfs/dbraw/zinc/27/65/49/781276549.db2.gz AUUQMLRXSAHWGS-UHFFFAOYSA-N 0 0 273.348 2.903 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000709018445 781286470 /nfs/dbraw/zinc/28/64/70/781286470.db2.gz ASBHWJHTKZITSN-AWEZNQCLSA-N 0 0 269.772 2.902 20 10 CFCDRN CCC[C@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOC1 ZINC000708497732 781291252 /nfs/dbraw/zinc/29/12/52/781291252.db2.gz UHSAMXHPWQYBKR-AWEZNQCLSA-N 0 0 271.307 2.719 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000708495484 781291485 /nfs/dbraw/zinc/29/14/85/781291485.db2.gz CIHYBDLPGAWNLO-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN CC(F)(F)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708496806 781291547 /nfs/dbraw/zinc/29/15/47/781291547.db2.gz NCULZVULYJYCKD-UHFFFAOYSA-N 0 0 251.223 2.805 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000708535187 781293133 /nfs/dbraw/zinc/29/31/33/781293133.db2.gz JEVAFCYRBBJSEC-CQSZACIVSA-N 0 0 285.334 2.701 20 10 CFCDRN CCOCC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535111 781293157 /nfs/dbraw/zinc/29/31/57/781293157.db2.gz IEZCEZHUPSXIQB-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN Nc1ccc(NC(=O)N2CC[C@H](c3nccs3)C2)cc1 ZINC000710539946 781317204 /nfs/dbraw/zinc/31/72/04/781317204.db2.gz PTJUJCUHPVXGEK-JTQLQIEISA-N 0 0 288.376 2.747 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000709850955 781320678 /nfs/dbraw/zinc/32/06/78/781320678.db2.gz JAQIGBIRXUCVQW-SNVBAGLBSA-N 0 0 277.698 2.559 20 10 CFCDRN CC(=O)c1ccc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001242402288 781468608 /nfs/dbraw/zinc/46/86/08/781468608.db2.gz WUHMFVROCVNWMC-UHFFFAOYSA-N 0 0 270.332 2.769 20 10 CFCDRN CN(C)c1ccc(CNCc2nccn2C2CC2)cc1 ZINC000711797896 781472127 /nfs/dbraw/zinc/47/21/27/781472127.db2.gz DHBTUHRJMPTMKH-UHFFFAOYSA-N 0 0 270.380 2.574 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1c[nH]c2ncccc12 ZINC001242859882 781804289 /nfs/dbraw/zinc/80/42/89/781804289.db2.gz LVZZGJTXILQOOX-UHFFFAOYSA-N 0 0 293.330 2.621 20 10 CFCDRN CC(C)CCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000068461171 346854310 /nfs/dbraw/zinc/85/43/10/346854310.db2.gz YRQXXGNWTDSTTD-UHFFFAOYSA-N 0 0 298.452 2.560 20 10 CFCDRN CCC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000069913532 346904077 /nfs/dbraw/zinc/90/40/77/346904077.db2.gz PBJUELJCVJDWQY-LLVKDONJSA-N 0 0 266.360 2.944 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273366842 282281822 /nfs/dbraw/zinc/28/18/22/282281822.db2.gz BRRKILWCVQLENA-MEBBXXQBSA-N 0 0 296.367 2.748 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2=CCCCC2)ccc1[N+](=O)[O-] ZINC000295035533 199312903 /nfs/dbraw/zinc/31/29/03/199312903.db2.gz DOKWNDBPJXGLBR-UHFFFAOYSA-N 0 0 292.335 2.899 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC(F)(F)C1 ZINC000335727650 282295192 /nfs/dbraw/zinc/29/51/92/282295192.db2.gz AHEOJQYGLWXADL-UHFFFAOYSA-N 0 0 296.317 2.523 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCS1 ZINC000075159597 347058475 /nfs/dbraw/zinc/05/84/75/347058475.db2.gz GIFPURZMQMGHKR-OAHLLOKOSA-N 0 0 291.416 2.783 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CCCO2)cc1 ZINC000046321256 346425775 /nfs/dbraw/zinc/42/57/75/346425775.db2.gz UBCZLHGXZVZKDX-MRXNPFEDSA-N 0 0 290.407 2.670 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000046769402 346433098 /nfs/dbraw/zinc/43/30/98/346433098.db2.gz ANCVTVFFULFKQA-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN CCOC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000053139564 346538705 /nfs/dbraw/zinc/53/87/05/346538705.db2.gz FFEGYSSMZVTXQZ-UHFFFAOYSA-N 0 0 290.407 2.672 20 10 CFCDRN CCO[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000066484260 346764117 /nfs/dbraw/zinc/76/41/17/346764117.db2.gz BEUQVBDLQSWJSE-ZDUSSCGKSA-N 0 0 278.396 2.526 20 10 CFCDRN CCSCC[C@@H](C)NC(=O)NCc1ccccc1O ZINC000076787310 347153716 /nfs/dbraw/zinc/15/37/16/347153716.db2.gz SWYOVFJRVGORMP-LLVKDONJSA-N 0 0 282.409 2.723 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000078626598 347265645 /nfs/dbraw/zinc/26/56/45/347265645.db2.gz UMWTVBUDCDDDJZ-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN COc1ccc(O)c(CNc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000078663656 347268982 /nfs/dbraw/zinc/26/89/82/347268982.db2.gz ZDYXSVLFIAAYJU-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000294509170 199066950 /nfs/dbraw/zinc/06/69/50/199066950.db2.gz BYUXGQSCLUZCND-NOZJJQNGSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000294774731 199176567 /nfs/dbraw/zinc/17/65/67/199176567.db2.gz TXWNJCRJPQTOEQ-NSHDSACASA-N 0 0 287.762 2.825 20 10 CFCDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273586182 299283630 /nfs/dbraw/zinc/28/36/30/299283630.db2.gz NWDBCGWKBOKSSE-NSHDSACASA-N 0 0 294.351 2.646 20 10 CFCDRN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(O)c1O ZINC000187100283 291160270 /nfs/dbraw/zinc/16/02/70/291160270.db2.gz BFSVGSOHRQQEHW-LOWVWBTDSA-N 0 0 275.348 2.891 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(F)cc1[O-] ZINC000297163875 200102039 /nfs/dbraw/zinc/10/20/39/200102039.db2.gz DAMHPPFHXILPBH-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000281197525 299349920 /nfs/dbraw/zinc/34/99/20/299349920.db2.gz RSUWFEDPVFZTNF-GXSJLCMTSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+]Cc1nccs1)c1ccc(F)c(F)c1[O-] ZINC000191211885 296136420 /nfs/dbraw/zinc/13/64/20/296136420.db2.gz ILLYMUISWSFZEC-SSDOTTSWSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1 ZINC000273489176 296149734 /nfs/dbraw/zinc/14/97/34/296149734.db2.gz NTVYNNIXHUUBSB-RWSFTLGLSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187752970 299428187 /nfs/dbraw/zinc/42/81/87/299428187.db2.gz DRIQUCWTNRYQPQ-VWYCJHECSA-N 0 0 296.361 2.946 20 10 CFCDRN CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000061037899 373711844 /nfs/dbraw/zinc/71/18/44/373711844.db2.gz YDHZMPVNBDLCNK-UHFFFAOYSA-N 0 0 272.348 2.852 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC(C)C ZINC000063683482 373812541 /nfs/dbraw/zinc/81/25/41/373812541.db2.gz QFIZDVATSZVSKK-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN COCCN(Cc1cc(C)ccc1O)CC(F)(F)F ZINC000092645901 375133349 /nfs/dbraw/zinc/13/33/49/375133349.db2.gz JDDNIRZDCUJVSF-UHFFFAOYSA-N 0 0 277.286 2.711 20 10 CFCDRN Cn1cnnc1[C@@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000093809920 375313232 /nfs/dbraw/zinc/31/32/32/375313232.db2.gz MJLAUOSNQXWMEQ-LBPRGKRZSA-N 0 0 292.770 2.511 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H]1C1CC1 ZINC000529510422 383714261 /nfs/dbraw/zinc/71/42/61/383714261.db2.gz BGYQWXQQNJFCTG-ULCPSODYSA-N 0 0 279.767 2.954 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000193130455 296253949 /nfs/dbraw/zinc/25/39/49/296253949.db2.gz FYVBZUPMVKFQGP-DGCLKSJQSA-N 0 0 293.388 2.598 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(Cl)nn2)c1 ZINC000128914805 377362165 /nfs/dbraw/zinc/36/21/65/377362165.db2.gz ZQDUPCUUEIPQQX-ZZXKWVIFSA-N 0 0 288.738 2.510 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccnc1 ZINC000130450484 377561084 /nfs/dbraw/zinc/56/10/84/377561084.db2.gz LGIIEOXNUNFHEY-UHFFFAOYSA-N 0 0 269.348 2.547 20 10 CFCDRN CSC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000133474186 377932823 /nfs/dbraw/zinc/93/28/23/377932823.db2.gz PNUUFSGTONWNDY-GFCCVEGCSA-N 0 0 295.452 2.646 20 10 CFCDRN C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134240930 377994769 /nfs/dbraw/zinc/99/47/69/377994769.db2.gz XFQJVMBZVWMOPK-RDDDGLTNSA-N 0 0 276.163 2.966 20 10 CFCDRN COc1cccc(CNC(=O)c2oc(C)cc2C)c1O ZINC000175258496 380030702 /nfs/dbraw/zinc/03/07/02/380030702.db2.gz BJOOKNRVUBSVGG-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529669716 383745042 /nfs/dbraw/zinc/74/50/42/383745042.db2.gz OELJTQRNQGXBBR-XHSYRHOGSA-N 0 0 269.772 2.947 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@H](C)c2ccccn2)c(O)c1O ZINC000177676962 380365326 /nfs/dbraw/zinc/36/53/26/380365326.db2.gz RWVOOYBFSJEOAS-LLVKDONJSA-N 0 0 286.331 2.634 20 10 CFCDRN CCOC[C@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000529667410 383745262 /nfs/dbraw/zinc/74/52/62/383745262.db2.gz VFWYSIDUIBFLGQ-GFCCVEGCSA-N 0 0 299.798 2.591 20 10 CFCDRN Cc1ccc([C@H]2COCCN2Cc2ccccc2O)o1 ZINC000179576416 380561505 /nfs/dbraw/zinc/56/15/05/380561505.db2.gz UUUPXJPGDADOPC-CQSZACIVSA-N 0 0 273.332 2.867 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCS1 ZINC000180312600 380644934 /nfs/dbraw/zinc/64/49/34/380644934.db2.gz IXKGNQGVURNZJA-ZDUSSCGKSA-N 0 0 267.394 2.728 20 10 CFCDRN CC[C@@H](CSC)NC(=O)N(C)Cc1ccccc1O ZINC000179974694 380605222 /nfs/dbraw/zinc/60/52/22/380605222.db2.gz TUAOFMAWNDQOHV-LBPRGKRZSA-N 0 0 282.409 2.675 20 10 CFCDRN CCC[C@](C)(NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000180036049 380613363 /nfs/dbraw/zinc/61/33/63/380613363.db2.gz GYXIOJUXHGTYPH-INIZCTEOSA-N 0 0 278.396 2.574 20 10 CFCDRN Cc1cccc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000180479124 380666596 /nfs/dbraw/zinc/66/65/96/380666596.db2.gz WGMGFFDHSJYSMC-UHFFFAOYSA-N 0 0 279.380 2.864 20 10 CFCDRN C[C@@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180584282 380679186 /nfs/dbraw/zinc/67/91/86/380679186.db2.gz JUNMNCUSBZLRJJ-FVSXHXCTSA-N 0 0 275.348 2.616 20 10 CFCDRN CCOC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180622351 380682718 /nfs/dbraw/zinc/68/27/18/380682718.db2.gz YGYUOLDRMQENRZ-LLVKDONJSA-N 0 0 269.772 2.904 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000180616114 380682826 /nfs/dbraw/zinc/68/28/26/380682826.db2.gz BGFKITLEQVQWSM-AWEZNQCLSA-N 0 0 267.756 2.658 20 10 CFCDRN CC[C@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180769612 380697931 /nfs/dbraw/zinc/69/79/31/380697931.db2.gz ZIOITHVTLZVEEX-IOCXFXADSA-N 0 0 263.337 2.616 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C1CCC1 ZINC000181033894 380728063 /nfs/dbraw/zinc/72/80/63/380728063.db2.gz IZJOLEYKXVNCNB-KGXGESDWSA-N 0 0 287.359 2.902 20 10 CFCDRN CC[C@H]([NH2+]CCOCC(F)F)c1ccc(F)cc1[O-] ZINC000287315800 380802867 /nfs/dbraw/zinc/80/28/67/380802867.db2.gz FGBPHVNRZPNTLN-NSHDSACASA-N 0 0 277.286 2.854 20 10 CFCDRN CC(C)(C)c1cnc(SCc2cn[nH]n2)s1 ZINC000287400645 380822929 /nfs/dbraw/zinc/82/29/29/380822929.db2.gz BOGANGRVHHNUTH-UHFFFAOYSA-N 0 0 254.384 2.851 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc(Cl)c1[O-] ZINC000287768554 380931442 /nfs/dbraw/zinc/93/14/42/380931442.db2.gz RJSBFIDNVVUOSK-GXFFZTMASA-N 0 0 294.786 2.767 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000287713593 380918479 /nfs/dbraw/zinc/91/84/79/380918479.db2.gz XTJCBNRHSDCXKK-LEWSCRJBSA-N 0 0 267.344 2.997 20 10 CFCDRN CN(C)c1ccc(CN(Cc2cnns2)C2CC2)cc1 ZINC000295620965 380979108 /nfs/dbraw/zinc/97/91/08/380979108.db2.gz WHLOUGULIXDFSP-UHFFFAOYSA-N 0 0 288.420 2.769 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)C1 ZINC000295557385 380938862 /nfs/dbraw/zinc/93/88/62/380938862.db2.gz VGDNTEBFFQVOJK-ZJUUUORDSA-N 0 0 281.327 2.745 20 10 CFCDRN CN1CCc2cc(CNC(=O)[C@H]3CC=CCC3)ccc21 ZINC000368421501 381018671 /nfs/dbraw/zinc/01/86/71/381018671.db2.gz DMRGRRNCNODGCQ-AWEZNQCLSA-N 0 0 270.376 2.651 20 10 CFCDRN Cc1sccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295663375 381003475 /nfs/dbraw/zinc/00/34/75/381003475.db2.gz FHQXSDSSHPCUFA-VIFPVBQESA-N 0 0 291.372 2.829 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2C2CCC2)c(O)c1O ZINC000182324651 381064351 /nfs/dbraw/zinc/06/43/51/381064351.db2.gz CBYOVBGTYMSPSM-ZDUSSCGKSA-N 0 0 275.348 2.811 20 10 CFCDRN CC(C)C[C@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182538944 381109504 /nfs/dbraw/zinc/10/95/04/381109504.db2.gz BQQXJRKVGKBJTR-NSHDSACASA-N 0 0 265.353 2.786 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295787371 381076552 /nfs/dbraw/zinc/07/65/52/381076552.db2.gz RFTMITHWKRVITI-MRVWCRGKSA-N 0 0 291.391 2.971 20 10 CFCDRN CC(C)OCCCC(=O)N(C)Cc1ccccc1O ZINC000183550508 381285344 /nfs/dbraw/zinc/28/53/44/381285344.db2.gz BJPJIFZZOZNGNK-UHFFFAOYSA-N 0 0 265.353 2.556 20 10 CFCDRN CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000296313075 381342745 /nfs/dbraw/zinc/34/27/45/381342745.db2.gz GMTLETKTLGNUMZ-CYBMUJFWSA-N 0 0 269.360 2.981 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000296321530 381346383 /nfs/dbraw/zinc/34/63/83/381346383.db2.gz GUQKYQJAXAUHDE-GVXVVHGQSA-N 0 0 291.313 2.977 20 10 CFCDRN Oc1ccccc1CNc1cccc2c1OCC[C@H]2O ZINC000184093825 381369394 /nfs/dbraw/zinc/36/93/94/381369394.db2.gz NVRFPNHPZNHRQR-OAHLLOKOSA-N 0 0 271.316 2.820 20 10 CFCDRN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000185122230 381541793 /nfs/dbraw/zinc/54/17/93/381541793.db2.gz MLUSSKOYHZEIFV-PZDALLCQSA-N 0 0 287.334 2.840 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CC2 ZINC000297144860 381553415 /nfs/dbraw/zinc/55/34/15/381553415.db2.gz ZRLPZHHHYPYUFT-HUUCEWRRSA-N 0 0 295.386 2.643 20 10 CFCDRN O=C(N[C@@H]1CC12CCCCC2)c1c(F)ccc(O)c1O ZINC000297596314 381567127 /nfs/dbraw/zinc/56/71/27/381567127.db2.gz UOCFCZJQMQQLHU-LLVKDONJSA-N 0 0 279.311 2.690 20 10 CFCDRN CCN(CCO)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000298351198 381588969 /nfs/dbraw/zinc/58/89/69/381588969.db2.gz SBKPUUJRJRYHMC-UHFFFAOYSA-N 0 0 286.375 2.549 20 10 CFCDRN Clc1ccc(C2=CCN(c3cnccn3)CC2)cn1 ZINC000371434008 381625955 /nfs/dbraw/zinc/62/59/55/381625955.db2.gz OLFCFGKBBAWQTL-UHFFFAOYSA-N 0 0 272.739 2.819 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185438607 381632401 /nfs/dbraw/zinc/63/24/01/381632401.db2.gz UTSIAPFQFIGBPM-PKFCDNJMSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(F)c(F)c1[O-] ZINC000372980046 381902699 /nfs/dbraw/zinc/90/26/99/381902699.db2.gz MYWAFJJJIJDQAG-SCZZXKLOSA-N 0 0 293.317 2.602 20 10 CFCDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186747122 382002747 /nfs/dbraw/zinc/00/27/47/382002747.db2.gz SJHQBVWIEZVDEM-XTQGRXLLSA-N 0 0 291.391 2.827 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC2(C1)CCCCC2 ZINC000187135610 382109394 /nfs/dbraw/zinc/10/93/94/382109394.db2.gz WVVXGEKCGFNCFU-UHFFFAOYSA-N 0 0 275.348 2.894 20 10 CFCDRN CS[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000187106149 382100531 /nfs/dbraw/zinc/10/05/31/382100531.db2.gz XOLRGMVGRUVXNQ-NXEZZACHSA-N 0 0 281.377 2.502 20 10 CFCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000301632029 382182373 /nfs/dbraw/zinc/18/23/73/382182373.db2.gz CVKLWPLCMSMLCY-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H](C)CO ZINC000293650209 382215237 /nfs/dbraw/zinc/21/52/37/382215237.db2.gz MXGBLYFSFORORT-JTQLQIEISA-N 0 0 257.761 2.557 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293799911 382284783 /nfs/dbraw/zinc/28/47/83/382284783.db2.gz BXXJYHQTSJHMBB-UHFFFAOYSA-N 0 0 297.761 2.825 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000377282379 382247738 /nfs/dbraw/zinc/24/77/38/382247738.db2.gz FAFHBHROYJNCRT-QGZVFWFLSA-N 0 0 299.422 2.571 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOCC1 ZINC000293721296 382249051 /nfs/dbraw/zinc/24/90/51/382249051.db2.gz VPGBOXKJHPJFLX-JTQLQIEISA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)c(F)c1[O-] ZINC000187752985 382262768 /nfs/dbraw/zinc/26/27/68/382262768.db2.gz DRIQUCWTNRYQPQ-DCAQKATOSA-N 0 0 296.361 2.946 20 10 CFCDRN CCOc1ccc(O)c(C[N@H+](C)Cc2conc2CC)c1 ZINC000293750996 382262713 /nfs/dbraw/zinc/26/27/13/382262713.db2.gz WWNRSCIVGNEXCY-UHFFFAOYSA-N 0 0 290.363 2.973 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000364801146 382354793 /nfs/dbraw/zinc/35/47/93/382354793.db2.gz XMCYGHRWNWQPDR-PMEZXALUSA-N 0 0 283.318 2.889 20 10 CFCDRN C[C@@H](C1CC1)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188300303 382387544 /nfs/dbraw/zinc/38/75/44/382387544.db2.gz BFAQOAUUHFZLIY-VIFPVBQESA-N 0 0 261.321 2.501 20 10 CFCDRN C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)c2nccn21 ZINC000294138380 382430091 /nfs/dbraw/zinc/43/00/91/382430091.db2.gz PAYMOPHZMJYQDL-WFASDCNBSA-N 0 0 270.380 2.745 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000294148548 382434735 /nfs/dbraw/zinc/43/47/35/382434735.db2.gz HWLRJGJKRSWWPD-UHFFFAOYSA-N 0 0 298.789 2.901 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@@H](CO)c3ccccc32)c1 ZINC000294094556 382412402 /nfs/dbraw/zinc/41/24/02/382412402.db2.gz ZVGYMAORVQQHTG-AWEZNQCLSA-N 0 0 269.344 2.797 20 10 CFCDRN CCCO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000188447530 382415044 /nfs/dbraw/zinc/41/50/44/382415044.db2.gz IEEBVUCFUQDOII-GFCCVEGCSA-N 0 0 293.363 2.519 20 10 CFCDRN CC[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188483070 382421725 /nfs/dbraw/zinc/42/17/25/382421725.db2.gz RWQGSKDDHOHJRZ-GFCCVEGCSA-N 0 0 276.380 2.914 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378371894 382449709 /nfs/dbraw/zinc/44/97/09/382449709.db2.gz AIBBFVNHBRACCI-CFVMTHIKSA-N 0 0 261.365 2.638 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000294223467 382466899 /nfs/dbraw/zinc/46/68/99/382466899.db2.gz LZZYSVKYFMOKOC-ZIAGYGMSSA-N 0 0 298.789 2.901 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378499547 382474049 /nfs/dbraw/zinc/47/40/49/382474049.db2.gz UIRRXSDFLAKPSO-GLQYFDAESA-N 0 0 279.355 2.777 20 10 CFCDRN COc1ccncc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000294488429 382513519 /nfs/dbraw/zinc/51/35/19/382513519.db2.gz XSNQJVCLNVMKQW-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000294926684 382544858 /nfs/dbraw/zinc/54/48/58/382544858.db2.gz HEMRPABFSFJHPT-SNVBAGLBSA-N 0 0 275.327 2.523 20 10 CFCDRN CO[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000294858073 382533704 /nfs/dbraw/zinc/53/37/04/382533704.db2.gz OAYMRVOUHPOFLK-KRWDZBQOSA-N 0 0 299.370 2.608 20 10 CFCDRN CC[C@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294861245 382533729 /nfs/dbraw/zinc/53/37/29/382533729.db2.gz GZGQVTYVOXOISC-OAHLLOKOSA-N 0 0 281.327 2.889 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2CCCO2)cc1F ZINC000189545388 382622470 /nfs/dbraw/zinc/62/24/70/382622470.db2.gz HUZFESJUCBUUAE-LBPRGKRZSA-N 0 0 253.317 2.840 20 10 CFCDRN CCC(C)(C)CNC(=O)NCc1cccc(OC)c1O ZINC000190757018 382679715 /nfs/dbraw/zinc/67/97/15/382679715.db2.gz ANTDFVHTWXSJKS-UHFFFAOYSA-N 0 0 280.368 2.636 20 10 CFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000237093139 382950016 /nfs/dbraw/zinc/95/00/16/382950016.db2.gz LUEAPBRQQBDEBB-KRWDZBQOSA-N 0 0 298.386 2.757 20 10 CFCDRN Nc1ccc(CC(=O)NCCOC2CCCCCC2)cc1 ZINC000238113139 382978746 /nfs/dbraw/zinc/97/87/46/382978746.db2.gz UQYTYARHVAUYCN-UHFFFAOYSA-N 0 0 290.407 2.667 20 10 CFCDRN CCn1cc(-c2n[nH]cc2C(=O)N(C)c2ccccc2)cn1 ZINC000426587622 383407130 /nfs/dbraw/zinc/40/71/30/383407130.db2.gz KQPRBVMJUUTXGR-UHFFFAOYSA-N 0 0 295.346 2.570 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCCc3ccc(F)cc32)cnn1C ZINC000255381920 383481332 /nfs/dbraw/zinc/48/13/32/383481332.db2.gz SENHOCUVVKKKHR-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1cccnc1 ZINC000255415170 383482164 /nfs/dbraw/zinc/48/21/64/383482164.db2.gz QZUXYPVWWFUFLX-SREVYHEPSA-N 0 0 273.361 2.913 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530242789 383769199 /nfs/dbraw/zinc/76/91/99/383769199.db2.gz DFPNXTPDGMBXFW-LBPRGKRZSA-N 0 0 284.762 2.559 20 10 CFCDRN O=C(NCC[C@@H]1CC=CCC1)c1c(F)ccc(O)c1O ZINC000530275751 383769699 /nfs/dbraw/zinc/76/96/99/383769699.db2.gz XDQHFHGKVVEGTF-SNVBAGLBSA-N 0 0 279.311 2.713 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cocc2C)c1 ZINC000528863311 383664290 /nfs/dbraw/zinc/66/42/90/383664290.db2.gz UXXNTGADOAXXQR-SNVBAGLBSA-N 0 0 275.304 2.793 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1 ZINC000264953806 383806664 /nfs/dbraw/zinc/80/66/64/383806664.db2.gz XBHAAPDVGYGEFC-MRXNPFEDSA-N 0 0 296.370 2.545 20 10 CFCDRN Cc1nsc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000266425558 384172869 /nfs/dbraw/zinc/17/28/69/384172869.db2.gz SQGPZHSJZSAZJX-UHFFFAOYSA-N 0 0 266.345 2.664 20 10 CFCDRN Cc1nc(CCCC(=O)NCc2ccccc2O)cs1 ZINC000267363230 384368408 /nfs/dbraw/zinc/36/84/08/384368408.db2.gz AMIQOVBMCQAMNZ-UHFFFAOYSA-N 0 0 290.388 2.796 20 10 CFCDRN Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2O)s1 ZINC000267526939 384407553 /nfs/dbraw/zinc/40/75/53/384407553.db2.gz JCUSEQQFWJVNPM-SNVBAGLBSA-N 0 0 291.376 2.718 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1C ZINC000268850648 384676010 /nfs/dbraw/zinc/67/60/10/384676010.db2.gz POADJFHGZMRVAF-AWEZNQCLSA-N 0 0 271.364 2.899 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000269332926 384749166 /nfs/dbraw/zinc/74/91/66/384749166.db2.gz CQQCYTSTZLYQFU-SECBINFHSA-N 0 0 290.190 2.903 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000269332928 384749226 /nfs/dbraw/zinc/74/92/26/384749226.db2.gz CQQCYTSTZLYQFU-VIFPVBQESA-N 0 0 290.190 2.903 20 10 CFCDRN CC[C@@H](C)OCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000269694744 384840022 /nfs/dbraw/zinc/84/00/22/384840022.db2.gz GXJKGGZKAKHKOQ-CQSZACIVSA-N 0 0 292.423 2.916 20 10 CFCDRN CC1=CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000270322299 385054442 /nfs/dbraw/zinc/05/44/42/385054442.db2.gz KKGSZIWDDFESHS-UHFFFAOYSA-N 0 0 297.402 2.924 20 10 CFCDRN CCOc1ccc(O)c(C[N@H+](C)CCCSC)c1 ZINC000281117780 385184810 /nfs/dbraw/zinc/18/48/10/385184810.db2.gz BVZIGCAVFNHXOA-UHFFFAOYSA-N 0 0 269.410 2.976 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CCOCC3)cc2)nc1C ZINC000270679566 385187511 /nfs/dbraw/zinc/18/75/11/385187511.db2.gz HOIYLGQIOOYATI-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN O=C(NC[C@H]1CCCC(F)(F)C1)c1cccc(O)c1O ZINC000282295984 385275508 /nfs/dbraw/zinc/27/55/08/385275508.db2.gz RZQRVERIGRSXRP-VIFPVBQESA-N 0 0 285.290 2.653 20 10 CFCDRN CCCCN(Cc1noc(C)n1)Cc1ccccc1O ZINC000282519653 385333105 /nfs/dbraw/zinc/33/31/05/385333105.db2.gz SZSWNCPDIVXXHN-UHFFFAOYSA-N 0 0 275.352 2.886 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCO1 ZINC000282546709 385338808 /nfs/dbraw/zinc/33/88/08/385338808.db2.gz RYNIXFOEOQXFLJ-OAHLLOKOSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCc1occc1C(=O)NCc1ccccc1O ZINC000282584211 385347005 /nfs/dbraw/zinc/34/70/05/385347005.db2.gz CMPVGWHOUNOIFW-UHFFFAOYSA-N 0 0 259.305 2.868 20 10 CFCDRN CCc1nnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271479879 385383776 /nfs/dbraw/zinc/38/37/76/385383776.db2.gz JMDSUHOELUQUET-RYUDHWBXSA-N 0 0 287.411 2.845 20 10 CFCDRN CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271479878 385384048 /nfs/dbraw/zinc/38/40/48/385384048.db2.gz JMDSUHOELUQUET-NWDGAFQWSA-N 0 0 287.411 2.845 20 10 CFCDRN CCCC[N@H+](CCc1ccnn1C)Cc1ccccc1O ZINC000282950014 385414558 /nfs/dbraw/zinc/41/45/58/385414558.db2.gz DAUKZCCLIWKIJQ-UHFFFAOYSA-N 0 0 287.407 2.971 20 10 CFCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(F)c1O ZINC000272323206 385509979 /nfs/dbraw/zinc/50/99/79/385509979.db2.gz UROHCMWSCMSURP-JTQLQIEISA-N 0 0 283.343 2.693 20 10 CFCDRN CCC1(C(=O)N(C)Cc2ccccc2O)CCOCC1 ZINC000272325236 385510685 /nfs/dbraw/zinc/51/06/85/385510685.db2.gz LETRIMPBWOWHGI-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN CCOC1(C(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000283892899 385511652 /nfs/dbraw/zinc/51/16/52/385511652.db2.gz OFVMGVSEYJYKAL-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000272256697 385489816 /nfs/dbraw/zinc/48/98/16/385489816.db2.gz JLNBURPVTGYOLP-UHFFFAOYSA-N 0 0 275.327 2.634 20 10 CFCDRN COc1cc(CCO)ccc1NCc1cccc(C)c1O ZINC000284088126 385533332 /nfs/dbraw/zinc/53/33/32/385533332.db2.gz NVLZGPOZYLGUET-UHFFFAOYSA-N 0 0 287.359 2.856 20 10 CFCDRN CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(F)cc1[O-] ZINC000286242178 385576255 /nfs/dbraw/zinc/57/62/55/385576255.db2.gz UBERUQWOSXZNDC-CYBMUJFWSA-N 0 0 294.370 2.618 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc[nH]c1C1CC1 ZINC000284687896 385549843 /nfs/dbraw/zinc/54/98/43/385549843.db2.gz CJDYPWUHHMYPBS-UHFFFAOYSA-N 0 0 270.332 2.870 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC=C(F)C2)c1O ZINC000272493182 385551200 /nfs/dbraw/zinc/55/12/00/385551200.db2.gz NDKBGCJPSYVVQV-UHFFFAOYSA-N 0 0 267.275 2.793 20 10 CFCDRN C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000272492137 385551929 /nfs/dbraw/zinc/55/19/29/385551929.db2.gz DXRVIPGVYURWLV-RKDXNWHRSA-N 0 0 290.190 2.902 20 10 CFCDRN COc1cccc(CNC(=O)c2c(C)coc2C)c1O ZINC000285431089 385555626 /nfs/dbraw/zinc/55/56/26/385555626.db2.gz XSCXYRSYHWFLAX-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN Cc1coc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000285764005 385556990 /nfs/dbraw/zinc/55/69/90/385556990.db2.gz IYGRYOJNRCFJSU-JTQLQIEISA-N 0 0 289.331 2.669 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000285994595 385558522 /nfs/dbraw/zinc/55/85/22/385558522.db2.gz HDVOKTOTWVWBKW-ZIAGYGMSSA-N 0 0 294.370 2.581 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(F)cc1[O-] ZINC000286121507 385561706 /nfs/dbraw/zinc/56/17/06/385561706.db2.gz OCZRZOSXHDYYCU-WCQYABFASA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1ccc(F)cc1[O-] ZINC000286193436 385569223 /nfs/dbraw/zinc/56/92/23/385569223.db2.gz QXBNNHPVSNQOKO-KGLIPLIRSA-N 0 0 267.344 2.997 20 10 CFCDRN CCC(C)(C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000272724095 385597207 /nfs/dbraw/zinc/59/72/07/385597207.db2.gz IBRRACBXNJWCLA-UHFFFAOYSA-N 0 0 251.326 2.667 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1[O-] ZINC000286370942 385601250 /nfs/dbraw/zinc/60/12/50/385601250.db2.gz ZOQXXKYEDJYHDU-SUHUHFCYSA-N 0 0 265.328 2.509 20 10 CFCDRN Cc1ccc(C(=O)N(C)CC(C)(C)C)c(O)c1O ZINC000272875186 385638822 /nfs/dbraw/zinc/63/88/22/385638822.db2.gz WUYVSQULZLNWRH-UHFFFAOYSA-N 0 0 251.326 2.524 20 10 CFCDRN CCN(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000286603784 385663320 /nfs/dbraw/zinc/66/33/20/385663320.db2.gz LJPXPCJFQUDOHT-UHFFFAOYSA-N 0 0 275.396 2.789 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000273412738 385681546 /nfs/dbraw/zinc/68/15/46/385681546.db2.gz PZNGZERJEVGNJZ-JTQLQIEISA-N 0 0 275.304 2.623 20 10 CFCDRN CS[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273516759 385685497 /nfs/dbraw/zinc/68/54/97/385685497.db2.gz SQHRWIZYSMBPQZ-RKDXNWHRSA-N 0 0 270.354 2.703 20 10 CFCDRN COC(=O)COc1ccc(N(C)CCC(F)(F)F)cc1 ZINC000273061187 385670476 /nfs/dbraw/zinc/67/04/76/385670476.db2.gz HTDCFXZYLSBZMI-UHFFFAOYSA-N 0 0 291.269 2.627 20 10 CFCDRN CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(F)cc1[O-] ZINC000287121709 385785541 /nfs/dbraw/zinc/78/55/41/385785541.db2.gz RECYEQRUGURAFK-CQSZACIVSA-N 0 0 265.328 2.919 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000276937532 386084658 /nfs/dbraw/zinc/08/46/58/386084658.db2.gz PDUZNQWGIGVRNY-JOYOIKCWSA-N 0 0 273.323 2.992 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000372397401 393448325 /nfs/dbraw/zinc/44/83/25/393448325.db2.gz DGHXRAJXZAKDFM-NUEKZKHPSA-N 0 0 275.392 2.946 20 10 CFCDRN COc1cccc(CN2C[C@H](OC)Cc3ccccc32)c1O ZINC000374375976 393495651 /nfs/dbraw/zinc/49/56/51/393495651.db2.gz AZCRVXKMBXJPAS-OAHLLOKOSA-N 0 0 299.370 2.979 20 10 CFCDRN COc1cccc(CNC(=O)CC2=CCCCC2)c1O ZINC000106916203 393868632 /nfs/dbraw/zinc/86/86/32/393868632.db2.gz WEQBBCMTQXHEBT-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)c3cn[nH]c3)cc2)CC1 ZINC000108295985 393873809 /nfs/dbraw/zinc/87/38/09/393873809.db2.gz FYFHBFPJSVZSNL-UHFFFAOYSA-N 0 0 298.390 2.576 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cncnc1C ZINC000120564433 393935692 /nfs/dbraw/zinc/93/56/92/393935692.db2.gz RRWBZTJTRGMLHK-UHFFFAOYSA-N 0 0 285.347 2.543 20 10 CFCDRN CC(C)c1nnc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000121241390 393952479 /nfs/dbraw/zinc/95/24/79/393952479.db2.gz GILKBJQBEMBISG-UHFFFAOYSA-N 0 0 275.308 2.558 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000491167374 394046414 /nfs/dbraw/zinc/04/64/14/394046414.db2.gz JGDLUMXVKRFTDI-FPLPWBNLSA-N 0 0 279.343 2.778 20 10 CFCDRN C[C@@H]1C[C@H](C)[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000281956917 394100977 /nfs/dbraw/zinc/10/09/77/394100977.db2.gz FWCDOVPCNULLTE-WOSRLPQWSA-N 0 0 290.407 2.525 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)Oc3ncccc32)cn1 ZINC000492546334 394071051 /nfs/dbraw/zinc/07/10/51/394071051.db2.gz JCLHZXGKPUUDGN-GWJCSSMESA-N 0 0 295.342 2.612 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2scnc2C)nc1 ZINC000492682926 394074320 /nfs/dbraw/zinc/07/43/20/394074320.db2.gz QOCDBKOYSSZQBS-ALCCZGGFSA-N 0 0 289.360 2.531 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379993 394034694 /nfs/dbraw/zinc/03/46/94/394034694.db2.gz BYRHKMORYGLKGQ-WCQYABFASA-N 0 0 294.351 2.910 20 10 CFCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccnc1C ZINC000492991629 394118030 /nfs/dbraw/zinc/11/80/30/394118030.db2.gz PSBFBCBOWJABFC-HJWRWDBZSA-N 0 0 267.332 2.851 20 10 CFCDRN C[C@H]1CCCN(c2ccc(CNC(N)=O)cc2Cl)C1 ZINC000283739403 394133272 /nfs/dbraw/zinc/13/32/72/394133272.db2.gz DGZRTEAAMJTXJS-JTQLQIEISA-N 0 0 281.787 2.745 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(OC)c1)c1ccncc1 ZINC000493126939 394157061 /nfs/dbraw/zinc/15/70/61/394157061.db2.gz ZRZDZYAIYOOAPC-SNAWJCMRSA-N 0 0 283.331 2.552 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCCc2ncccc21 ZINC000493225303 394184067 /nfs/dbraw/zinc/18/40/67/394184067.db2.gz OTYTWGRMTJGEJP-WAYWQWQTSA-N 0 0 271.345 2.531 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(C)nc2)nc1 ZINC000493387889 394228890 /nfs/dbraw/zinc/22/88/90/394228890.db2.gz PQRMSVJMKHFPHQ-CLFYSBASSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCc2c1cccc2Cl ZINC000493270242 394196101 /nfs/dbraw/zinc/19/61/01/394196101.db2.gz ZZTMZIUETANPIF-SNAWJCMRSA-N 0 0 273.723 2.666 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C/c1cncs1 ZINC000493668498 394304767 /nfs/dbraw/zinc/30/47/67/394304767.db2.gz ZOWLWCXCPFVIAO-CMDGGOBGSA-N 0 0 287.388 2.885 20 10 CFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372286946 394309445 /nfs/dbraw/zinc/30/94/45/394309445.db2.gz CPRKAIHHMWBXGP-GJZGRUSLSA-N 0 0 272.392 2.587 20 10 CFCDRN Cn1cc(COc2ccc3c(c2)c2c(n3C)CCCC2)nn1 ZINC000647164024 395192305 /nfs/dbraw/zinc/19/23/05/395192305.db2.gz CXQOUHFUQRXSJN-UHFFFAOYSA-N 0 0 296.374 2.765 20 10 CFCDRN C[C@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000122407323 397601075 /nfs/dbraw/zinc/60/10/75/397601075.db2.gz GHRVMZRAHIQLHT-GFCCVEGCSA-N 0 0 291.391 2.973 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)Cc1ccc(N)cc1 ZINC000237744936 292341164 /nfs/dbraw/zinc/34/11/64/292341164.db2.gz OJHPXCROKAANCT-ZDUSSCGKSA-N 0 0 296.370 2.934 20 10 CFCDRN CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cccc(Cl)c1[O-] ZINC000287290170 286902724 /nfs/dbraw/zinc/90/27/24/286902724.db2.gz BWVWBFLHVMLOSZ-CYBMUJFWSA-N 0 0 296.798 2.613 20 10 CFCDRN C[C@@H]([NH2+]Cc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372635 287042021 /nfs/dbraw/zinc/04/20/21/287042021.db2.gz GLPYJOYRUNQLNY-MRVPVSSYSA-N 0 0 279.321 2.608 20 10 CFCDRN CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020195463 171060705 /nfs/dbraw/zinc/06/07/05/171060705.db2.gz NNWCYRGULSEIEY-SECBINFHSA-N 0 0 264.152 2.560 20 10 CFCDRN Cc1nc(CNCc2ccc(N(C)C)cc2)cs1 ZINC000020253337 171105946 /nfs/dbraw/zinc/10/59/46/171105946.db2.gz YIJDIPVYLSBGNR-UHFFFAOYSA-N 0 0 261.394 2.807 20 10 CFCDRN CCOc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000152479864 261064414 /nfs/dbraw/zinc/06/44/14/261064414.db2.gz NNTVYNCHPXAAFO-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN CCO[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152485221 261064793 /nfs/dbraw/zinc/06/47/93/261064793.db2.gz UFPAAVSSJOXQBA-KRWDZBQOSA-N 0 0 298.386 2.705 20 10 CFCDRN C[C@H]1CC[C@@H](CC(=O)NCCc2ccc(N)cc2)C1 ZINC000152547617 261065549 /nfs/dbraw/zinc/06/55/49/261065549.db2.gz VJFMQVNZGOQBNU-GXTWGEPZSA-N 0 0 260.381 2.754 20 10 CFCDRN CCOc1ccc(N(CC)C(=O)/C=C/c2cnccn2)cc1 ZINC000491186686 261364415 /nfs/dbraw/zinc/36/44/15/261364415.db2.gz PQWISCXXMJVFJV-BJMVGYQFSA-N 0 0 297.358 2.942 20 10 CFCDRN CCCCC1(C(=O)NCc2cccc(OC)c2O)CC1 ZINC000934940356 649859366 /nfs/dbraw/zinc/85/93/66/649859366.db2.gz MAWNFWREYAAFEV-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN O=C(NC1CC(c2ccccc2)C1)c1cccc(O)c1O ZINC000370579352 267329679 /nfs/dbraw/zinc/32/96/79/267329679.db2.gz JLOATGCCGITGJM-UHFFFAOYSA-N 0 0 283.327 2.774 20 10 CFCDRN Cc1ccsc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372246902 267536147 /nfs/dbraw/zinc/53/61/47/267536147.db2.gz IBMPWHQRLCRSMJ-UHFFFAOYSA-N 0 0 286.400 2.979 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ccc[nH]3)C2)cc1 ZINC000374268563 267770409 /nfs/dbraw/zinc/77/04/09/267770409.db2.gz FJAWYVJBOUHYCG-UHFFFAOYSA-N 0 0 281.359 2.620 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000827714768 782041246 /nfs/dbraw/zinc/04/12/46/782041246.db2.gz XYCMFKGLDLTOGY-SNVBAGLBSA-N 0 0 263.337 2.540 20 10 CFCDRN CCN(Cc1ccccc1O)c1ncc(Cl)cn1 ZINC001154882477 782044329 /nfs/dbraw/zinc/04/43/29/782044329.db2.gz VXVJYBDERNDONA-UHFFFAOYSA-N 0 0 263.728 2.862 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@H](O)C(F)F ZINC000296269972 288061392 /nfs/dbraw/zinc/06/13/92/288061392.db2.gz DOVGKQOUZJSQMV-HQLZOWSPSA-N 0 0 295.276 2.726 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc(Cl)c1[O-] ZINC000287310124 280192583 /nfs/dbraw/zinc/19/25/83/280192583.db2.gz CWXNONIJBHLRPK-JOYOIKCWSA-N 0 0 294.786 2.976 20 10 CFCDRN O=[N+]([O-])c1cccnc1N1CC=C(c2cccnc2)CC1 ZINC000378526973 280376246 /nfs/dbraw/zinc/37/62/46/280376246.db2.gz RYTXZNZYEWOFFD-UHFFFAOYSA-N 0 0 282.303 2.679 20 10 CFCDRN CN1CC[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000272540668 290232771 /nfs/dbraw/zinc/23/27/71/290232771.db2.gz BWRXYVPIYIPRTH-FZMZJTMJSA-N 0 0 280.799 2.572 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCOC[C@@H]2C)c1O ZINC000271696097 301286487 /nfs/dbraw/zinc/28/64/87/301286487.db2.gz AZNWKNKUHVZTMD-JTQLQIEISA-N 0 0 255.745 2.575 20 10 CFCDRN C[C@@H]1CC[C@H](CCC(=O)N(C)Cc2ccccc2O)O1 ZINC000175503741 327782062 /nfs/dbraw/zinc/78/20/62/327782062.db2.gz RRZXKGGMEBXPIP-TZMCWYRMSA-N 0 0 277.364 2.698 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccn1 ZINC000255058753 326902886 /nfs/dbraw/zinc/90/28/86/326902886.db2.gz BNISZMDCOPPUQP-VURMDHGXSA-N 0 0 273.723 2.806 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCCc2cccc(O)c21 ZINC000255306730 326962978 /nfs/dbraw/zinc/96/29/78/326962978.db2.gz SFBPTPATHVSVCL-HJWRWDBZSA-N 0 0 280.327 2.780 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCSc3ccccc32)cnn1C ZINC000255905041 327027559 /nfs/dbraw/zinc/02/75/59/327027559.db2.gz FZKXDMWPYCRMCS-FPLPWBNLSA-N 0 0 299.399 2.881 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC000421496768 329835743 /nfs/dbraw/zinc/83/57/43/329835743.db2.gz GGGDNEAFADHGDO-SJKOYZFVSA-N 0 0 286.375 2.668 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1C ZINC000527804649 330284382 /nfs/dbraw/zinc/28/43/82/330284382.db2.gz RCNZKYPPEIOKMG-FOCJUVANSA-N 0 0 263.381 2.911 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000527925880 330296661 /nfs/dbraw/zinc/29/66/61/330296661.db2.gz JYFVLDZOWMFHDO-NEPJUHHUSA-N 0 0 267.344 2.999 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000528078041 330305552 /nfs/dbraw/zinc/30/55/52/330305552.db2.gz BRQCSXUXYQPYBC-BZPMIXESSA-N 0 0 274.364 2.628 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000528280209 330318411 /nfs/dbraw/zinc/31/84/11/330318411.db2.gz PTYCWXBFWBJCMR-QWHCGFSZSA-N 0 0 288.372 2.809 20 10 CFCDRN O=C(c1c[nH]nc1-c1cccnc1)N1CCc2ccccc21 ZINC000107045955 330346059 /nfs/dbraw/zinc/34/60/59/330346059.db2.gz QINBYEKQXVNHNW-UHFFFAOYSA-N 0 0 290.326 2.675 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000118624292 330367892 /nfs/dbraw/zinc/36/78/92/330367892.db2.gz AURKSWSWFQUBJL-ZHACJKMWSA-N 0 0 297.314 2.974 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1cccc(C)c1 ZINC000491123029 332153039 /nfs/dbraw/zinc/15/30/39/332153039.db2.gz ZQXDLBZKTDGDAY-BQYQJAHWSA-N 0 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296.326 2.529 20 10 CFCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccccc1C ZINC000492768229 332412696 /nfs/dbraw/zinc/41/26/96/332412696.db2.gz OSQQRCBBGGIEEH-CMDGGOBGSA-N 0 0 255.321 2.784 20 10 CFCDRN CCN(C(=O)/C=C/c1scnc1C)c1cccnc1 ZINC000186453380 333161408 /nfs/dbraw/zinc/16/14/08/333161408.db2.gz XIHIZDUFJGGUMC-VOTSOKGWSA-N 0 0 273.361 2.913 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528823065 333460402 /nfs/dbraw/zinc/46/04/02/333460402.db2.gz FWYYTZLFKZCXAK-GWCFXTLKSA-N 0 0 298.180 2.524 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccco2)c1 ZINC000528863757 333462445 /nfs/dbraw/zinc/46/24/45/333462445.db2.gz PXVUINFQUYKIDB-NSHDSACASA-N 0 0 289.331 2.804 20 10 CFCDRN Cn1c(-c2ccnc3c2CC(=O)N3)cc2ccccc21 ZINC001243352700 782151888 /nfs/dbraw/zinc/15/18/88/782151888.db2.gz LYOWDFLPPLAMKJ-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN CCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000159820635 520980044 /nfs/dbraw/zinc/98/00/44/520980044.db2.gz FJNFIFNAXGXLBA-ZDUSSCGKSA-N 0 0 279.380 2.829 20 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20 10 CFCDRN CC(C)(C)c1cnc(SCCCS(C)(=O)=O)s1 ZINC000164077584 519076543 /nfs/dbraw/zinc/07/65/43/519076543.db2.gz NHNLGTCTOYXEDD-UHFFFAOYSA-N 0 0 293.479 2.967 20 10 CFCDRN CC(C)C1(C)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280450477 519550140 /nfs/dbraw/zinc/55/01/40/519550140.db2.gz LFLBXENXCGLVSW-UHFFFAOYSA-N 0 0 277.364 2.996 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnnc1 ZINC000270452858 519655362 /nfs/dbraw/zinc/65/53/62/519655362.db2.gz GCPSUXYRYFWZBR-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN CC(C)OC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000279293574 519749569 /nfs/dbraw/zinc/74/95/69/519749569.db2.gz PQNMSGKKQXUZCA-UHFFFAOYSA-N 0 0 250.342 2.729 20 10 CFCDRN CC(C)OCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000181644641 519757903 /nfs/dbraw/zinc/75/79/03/519757903.db2.gz ANGSXBZNYQFYRO-UHFFFAOYSA-N 0 0 278.396 2.574 20 10 CFCDRN CC(C)OCCCN(C)c1ccc2c(c1)OCO2 ZINC000121402743 519762158 /nfs/dbraw/zinc/76/21/58/519762158.db2.gz CNNRFHMWPQRQLC-UHFFFAOYSA-N 0 0 251.326 2.667 20 10 CFCDRN CC(C)Oc1ccc(N(C)CCc2cnn(C)c2)cc1 ZINC000277308380 519780287 /nfs/dbraw/zinc/78/02/87/519780287.db2.gz UOXWANNIXNTLEV-UHFFFAOYSA-N 0 0 273.380 2.886 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000272378783 519835144 /nfs/dbraw/zinc/83/51/44/519835144.db2.gz VRFYIKLNGPROAT-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN CCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084815339 519907856 /nfs/dbraw/zinc/90/78/56/519907856.db2.gz OEGIEKNPWSZVIA-UHFFFAOYSA-N 0 0 294.370 2.673 20 10 CFCDRN CC1(C)CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000122433947 520292767 /nfs/dbraw/zinc/29/27/67/520292767.db2.gz ZTWNMCDDGRHMOR-UHFFFAOYSA-N 0 0 291.391 2.973 20 10 CFCDRN CC1(C)CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000094321090 520313416 /nfs/dbraw/zinc/31/34/16/520313416.db2.gz SKKCPZQURXYILP-AWEZNQCLSA-N 0 0 260.381 2.896 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)COCC ZINC000282404663 520547777 /nfs/dbraw/zinc/54/77/77/520547777.db2.gz FNMASIDLXLLBDX-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](OC)C1CC1 ZINC000298486661 520548112 /nfs/dbraw/zinc/54/81/12/520548112.db2.gz FWPWADQLBWSFII-MRXNPFEDSA-N 0 0 291.391 2.946 20 10 CFCDRN CC1(CC(=O)NCc2ccc(O)c(O)c2)CCCC1 ZINC000292340596 520694624 /nfs/dbraw/zinc/69/46/24/520694624.db2.gz XRIJVTAEXDGPLK-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN CC1=CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000270047369 520866754 /nfs/dbraw/zinc/86/67/54/520866754.db2.gz LLPIRSGFQQVBAW-UHFFFAOYSA-N 0 0 273.380 2.614 20 10 CFCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncn(C)n2)cc1 ZINC000275885685 520910844 /nfs/dbraw/zinc/91/08/44/520910844.db2.gz XDVQUSAELGWCDW-CYBMUJFWSA-N 0 0 287.411 2.512 20 10 CFCDRN CCN(CC)c1ccc(CNc2nnc(C)n2C)cc1F ZINC000161990914 520912663 /nfs/dbraw/zinc/91/26/63/520912663.db2.gz RULXGNKMZGAJPM-UHFFFAOYSA-N 0 0 291.374 2.721 20 10 CFCDRN CC1CCC(NC(=O)CSc2nccs2)CC1 ZINC000047242957 520947740 /nfs/dbraw/zinc/94/77/40/520947740.db2.gz IUMQOLIRBKZWQB-UHFFFAOYSA-N 0 0 270.423 2.930 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC3)cc2)CC1 ZINC000171766674 521040160 /nfs/dbraw/zinc/04/01/60/521040160.db2.gz NPVNYQQSHKYRAG-UHFFFAOYSA-N 0 0 287.407 2.838 20 10 CFCDRN CCC(CC)[C@H](O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224831902 521622508 /nfs/dbraw/zinc/62/25/08/521622508.db2.gz QFHZGDFKECMACP-CYBMUJFWSA-N 0 0 271.788 2.932 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000159173065 521627700 /nfs/dbraw/zinc/62/77/00/521627700.db2.gz GUEXJMNSIOQYRL-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC)OC ZINC000290967260 521688437 /nfs/dbraw/zinc/68/84/37/521688437.db2.gz BHOJNZDLUHKHCC-CQSZACIVSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCOC ZINC000066702545 521688473 /nfs/dbraw/zinc/68/84/73/521688473.db2.gz VPDLAVRXXVIKGD-ZDUSSCGKSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1OCC ZINC000264100313 521689126 /nfs/dbraw/zinc/68/91/26/521689126.db2.gz PEXARYYIBGXMGI-DZGCQCFKSA-N 0 0 277.364 2.556 20 10 CFCDRN CCC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000272360803 521702418 /nfs/dbraw/zinc/70/24/18/521702418.db2.gz BKXDTJQTAQJTFR-FNORWQNLSA-N 0 0 275.348 2.808 20 10 CFCDRN CCc1ccccc1CC(=O)NCc1cccc(OC)c1O ZINC000188426507 521822005 /nfs/dbraw/zinc/82/20/05/521822005.db2.gz CORSDLAATLNMNT-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN CC[C@H](C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)OC ZINC000298065853 521825191 /nfs/dbraw/zinc/82/51/91/521825191.db2.gz JZPOJXHTSQNBAN-SWLSCSKDSA-N 0 0 294.395 2.595 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278236320 521872041 /nfs/dbraw/zinc/87/20/41/521872041.db2.gz NKCVXSGCJUHCOV-NXEZZACHSA-N 0 0 280.324 2.539 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278105126 521879442 /nfs/dbraw/zinc/87/94/42/521879442.db2.gz AFORITGTYSHJGK-ZYHUDNBSSA-N 0 0 294.351 2.977 20 10 CFCDRN CC[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814856 521911035 /nfs/dbraw/zinc/91/10/35/521911035.db2.gz NIUWUHVXVTZMCD-GFCCVEGCSA-N 0 0 294.370 2.529 20 10 CFCDRN CC[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173204200 521913704 /nfs/dbraw/zinc/91/37/04/521913704.db2.gz ZTTOXUWVYCRFLB-LLVKDONJSA-N 0 0 262.353 2.524 20 10 CFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000073870306 521930274 /nfs/dbraw/zinc/93/02/74/521930274.db2.gz JSJQWOJMKYUUEG-QWRGUYRKSA-N 0 0 280.368 2.635 20 10 CFCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287138715 522139706 /nfs/dbraw/zinc/13/97/06/522139706.db2.gz ANAVEWDYJMVGCE-JGVFFNPUSA-N 0 0 291.269 2.780 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCCCO2)cc1 ZINC000087024008 522165135 /nfs/dbraw/zinc/16/51/35/522165135.db2.gz BGQUIHITQNLJCG-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)nc2)cc1 ZINC000070082102 522170366 /nfs/dbraw/zinc/17/03/66/522170366.db2.gz ZGVNXQTYZWJRJX-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@H](O)CC(C)(C)C)cc1 ZINC000291460861 522190454 /nfs/dbraw/zinc/19/04/54/522190454.db2.gz NNRYUKPSXPOHQL-HNNXBMFYSA-N 0 0 292.423 2.556 20 10 CFCDRN CN(C)c1ccc(OCC(=O)NCCC(C)(C)C)cc1 ZINC000289309202 522238751 /nfs/dbraw/zinc/23/87/51/522238751.db2.gz AZZCYGZFONLLAK-UHFFFAOYSA-N 0 0 278.396 2.684 20 10 CFCDRN COC(=O)c1cnc(SCc2cncc(C)c2)s1 ZINC000295341558 522343048 /nfs/dbraw/zinc/34/30/48/522343048.db2.gz PWYDTQTYHYYDEY-UHFFFAOYSA-N 0 0 280.374 2.925 20 10 CFCDRN CC[C@@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000277865907 522382639 /nfs/dbraw/zinc/38/26/39/522382639.db2.gz DHUZPYGAAYSPFB-HQJQHLMTSA-N 0 0 291.269 2.805 20 10 CFCDRN COC(C)(C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000074735783 522499348 /nfs/dbraw/zinc/49/93/48/522499348.db2.gz PTNLBGHSZLERJF-GFCCVEGCSA-N 0 0 294.395 2.737 20 10 CFCDRN CC[C@H](N[C@@H](C)c1ncnn1C)c1ccc(N(C)C)cc1 ZINC000276642110 522702935 /nfs/dbraw/zinc/70/29/35/522702935.db2.gz OYMOERYTPWSPFF-WFASDCNBSA-N 0 0 287.411 2.683 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000290232022 522736035 /nfs/dbraw/zinc/73/60/35/522736035.db2.gz RTGMTVVWHYFTHT-BREBYQMCSA-N 0 0 255.333 2.995 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1cccc(Cl)c1[O-] ZINC000287310118 522940135 /nfs/dbraw/zinc/94/01/35/522940135.db2.gz CWXNONIJBHLRPK-BXKDBHETSA-N 0 0 294.786 2.976 20 10 CFCDRN CC[C@@H](N[C@H](C)c1ncn(C)n1)c1ccc(C)cc1O ZINC000280158765 522941573 /nfs/dbraw/zinc/94/15/73/522941573.db2.gz QOBVCJWNTDGOQZ-DGCLKSJQSA-N 0 0 274.368 2.631 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2C[C@H]3CCCC[C@H]32)cc1OC ZINC000377979448 522972364 /nfs/dbraw/zinc/97/23/64/522972364.db2.gz YFHZNPAYNSBSQW-GHMZBOCLSA-N 0 0 292.335 2.991 20 10 CFCDRN CC[C@@H](O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000305062097 522997490 /nfs/dbraw/zinc/99/74/90/522997490.db2.gz GTULYAVSKASAFB-LLVKDONJSA-N 0 0 271.307 2.812 20 10 CFCDRN CC[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000279955303 523052792 /nfs/dbraw/zinc/05/27/92/523052792.db2.gz PICPGAFFDXLMSP-UONOGXRCSA-N 0 0 291.391 2.973 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)s1 ZINC000302692133 523387014 /nfs/dbraw/zinc/38/70/14/523387014.db2.gz ZUDKXDHSPVZHSO-UHFFFAOYSA-N 0 0 261.350 2.758 20 10 CFCDRN CN(Cc1ccccc1O)c1nccc2c1C(=O)OC2(C)C ZINC000364951528 523387930 /nfs/dbraw/zinc/38/79/30/523387930.db2.gz HBVRJAMYECFVDU-UHFFFAOYSA-N 0 0 298.342 2.829 20 10 CFCDRN CN(Cc1ccccc1O)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278477262 523388438 /nfs/dbraw/zinc/38/84/38/523388438.db2.gz VAGMXQYOTOCSLI-UHFFFAOYSA-N 0 0 299.330 2.905 20 10 CFCDRN CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000236918556 523476894 /nfs/dbraw/zinc/47/68/94/523476894.db2.gz ZHJAITRMWAVOMZ-HNNXBMFYSA-N 0 0 289.404 2.709 20 10 CFCDRN CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000237060796 523650967 /nfs/dbraw/zinc/65/09/67/523650967.db2.gz ZHJAITRMWAVOMZ-OAHLLOKOSA-N 0 0 289.404 2.709 20 10 CFCDRN COCCN(CCCSC)c1ccc(OC)c(OC)c1 ZINC000174799815 523696678 /nfs/dbraw/zinc/69/66/78/523696678.db2.gz TYLQCZRXVZVRKI-UHFFFAOYSA-N 0 0 299.436 2.910 20 10 CFCDRN COCCN(CCOC(C)C)c1ccc(OC)c(OC)c1 ZINC000174798957 523705537 /nfs/dbraw/zinc/70/55/37/523705537.db2.gz QTCAGLHEFMAXSV-UHFFFAOYSA-N 0 0 297.395 2.582 20 10 CFCDRN CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074516 523777209 /nfs/dbraw/zinc/77/72/09/523777209.db2.gz QLSOYJWBPFKABW-HNNXBMFYSA-N 0 0 299.370 2.950 20 10 CFCDRN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc(F)c2[O-])C12CCC2 ZINC000368035009 523779657 /nfs/dbraw/zinc/77/96/57/523779657.db2.gz LGLFFVVVEJFCBL-COLVAYQJSA-N 0 0 279.355 2.825 20 10 CFCDRN CC[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173204213 523830412 /nfs/dbraw/zinc/83/04/12/523830412.db2.gz ZTTOXUWVYCRFLB-NSHDSACASA-N 0 0 262.353 2.524 20 10 CFCDRN CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227440263 523853236 /nfs/dbraw/zinc/85/32/36/523853236.db2.gz WRWJVGNBDIWHNT-NSHDSACASA-N 0 0 289.206 2.883 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290267563 523891954 /nfs/dbraw/zinc/89/19/54/523891954.db2.gz VVRPIDXIJGWSHK-HRDYMLBCSA-N 0 0 259.296 2.744 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCc2cccnc21 ZINC000364897006 523944649 /nfs/dbraw/zinc/94/46/49/523944649.db2.gz RFKLYUVLXZFICM-CYBMUJFWSA-N 0 0 298.342 2.642 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCCc2cccnc21 ZINC000364897009 523945202 /nfs/dbraw/zinc/94/52/02/523945202.db2.gz RFKLYUVLXZFICM-ZDUSSCGKSA-N 0 0 298.342 2.642 20 10 CFCDRN COc1ccc(C[NH2+]Cc2c(C)noc2C)cc1C ZINC000063550105 524072284 /nfs/dbraw/zinc/07/22/84/524072284.db2.gz CEKAVFBNIDPALA-UHFFFAOYSA-N 0 0 260.337 2.898 20 10 CFCDRN Cc1cc(C(=O)NCCc2ccc(N)cc2)sc1C ZINC000087565550 524085661 /nfs/dbraw/zinc/08/56/61/524085661.db2.gz SZQGVDNVADWKLH-UHFFFAOYSA-N 0 0 274.389 2.920 20 10 CFCDRN C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000226323750 524289913 /nfs/dbraw/zinc/28/99/13/524289913.db2.gz CBWWDGUSKBWEGT-TZMCWYRMSA-N 0 0 260.381 2.754 20 10 CFCDRN COc1ccc(N(CC(=O)N2CCC2)[C@@H](C)C2CC2)cc1 ZINC000264608139 524359653 /nfs/dbraw/zinc/35/96/53/524359653.db2.gz MQPXBAIUGLLTAM-ZDUSSCGKSA-N 0 0 288.391 2.532 20 10 CFCDRN COc1ccc(N(Cc2cnn(C)c2)C(C)C)cc1F ZINC000101567386 524369412 /nfs/dbraw/zinc/36/94/12/524369412.db2.gz BFKMNCPSGWUQQA-UHFFFAOYSA-N 0 0 277.343 2.983 20 10 CFCDRN COc1ccc(N(Cc2nnc(C)[nH]2)[C@@H](C)C2CC2)cc1 ZINC000293253314 524370093 /nfs/dbraw/zinc/37/00/93/524370093.db2.gz ROOHQIVPHQECGX-NSHDSACASA-N 0 0 286.379 2.927 20 10 CFCDRN C[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1cccs1 ZINC000161091217 524388795 /nfs/dbraw/zinc/38/87/95/524388795.db2.gz DIRNUCLTJKWQLP-LBPRGKRZSA-N 0 0 288.416 2.868 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000301174812 524769349 /nfs/dbraw/zinc/76/93/49/524769349.db2.gz FXCZZGNPHWQJEC-SECBINFHSA-N 0 0 289.291 2.877 20 10 CFCDRN Cc1cccc(O[C@H](C)CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237419254 524780559 /nfs/dbraw/zinc/78/05/59/524780559.db2.gz BSFCJPJMSCRLRD-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN COc1ccnc(CSc2nccs2)c1OC ZINC000191102835 524838230 /nfs/dbraw/zinc/83/82/30/524838230.db2.gz LLKXDYVBFIGUTR-UHFFFAOYSA-N 0 0 268.363 2.848 20 10 CFCDRN Cc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000237691959 525079357 /nfs/dbraw/zinc/07/93/57/525079357.db2.gz MLVUOULWLNQNJE-UHFFFAOYSA-N 0 0 294.398 2.968 20 10 CFCDRN Cc1cc(O)c(CN2CCNC(=O)c3ccccc32)cc1C ZINC000291435918 525313979 /nfs/dbraw/zinc/31/39/79/525313979.db2.gz BNOYVPUGQPYJKI-UHFFFAOYSA-N 0 0 296.370 2.759 20 10 CFCDRN Cc1ccc(O)c(CN2CCOC[C@@H]2CC(F)F)c1 ZINC000289550375 525342026 /nfs/dbraw/zinc/34/20/26/525342026.db2.gz IMFDVLVZNGGZPQ-LBPRGKRZSA-N 0 0 271.307 2.557 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273613391 525379504 /nfs/dbraw/zinc/37/95/04/525379504.db2.gz WTASXPAODPFTAZ-JQWIXIFHSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1C ZINC000237695837 525387870 /nfs/dbraw/zinc/38/78/70/525387870.db2.gz ATAVOXHRELBOSZ-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN Cc1ccc(OCCCNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237716894 525410173 /nfs/dbraw/zinc/41/01/73/525410173.db2.gz BEHYVFCFRWVNDA-UHFFFAOYSA-N 0 0 298.386 2.705 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(F)cc1[O-] ZINC000062745023 525415313 /nfs/dbraw/zinc/41/53/13/525415313.db2.gz LLZQIPOHDQDMLT-SNVBAGLBSA-N 0 0 254.349 2.522 20 10 CFCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1[O-] ZINC000062745321 525439802 /nfs/dbraw/zinc/43/98/02/525439802.db2.gz KBDLYDXOTNZFNS-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000276928792 525484148 /nfs/dbraw/zinc/48/41/48/525484148.db2.gz NTUNQBGEXRBQGS-ZJUUUORDSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000230669820 525573596 /nfs/dbraw/zinc/57/35/96/525573596.db2.gz BCGGUGWTYJDBFB-JBCWJZNQSA-N 0 0 265.328 2.749 20 10 CFCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccccc1O)CC2 ZINC000277627861 525585488 /nfs/dbraw/zinc/58/54/88/525585488.db2.gz JZDIQPNFWVGMCZ-OAHLLOKOSA-N 0 0 297.354 2.747 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280865297 525627041 /nfs/dbraw/zinc/62/70/41/525627041.db2.gz CKWGSPNVLDVSGL-ZYHUDNBSSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1ncnn1C ZINC000276684067 525658255 /nfs/dbraw/zinc/65/82/55/525658255.db2.gz TYTAKOJDBWCPLZ-RKDXNWHRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290267621 525666493 /nfs/dbraw/zinc/66/64/93/525666493.db2.gz VWJVAWDNCLLEFA-QMTHXVAHSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H](Nc1nccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000302370098 525682442 /nfs/dbraw/zinc/68/24/42/525682442.db2.gz GKCGQZJRHPEYRO-LBPRGKRZSA-N 0 0 285.395 2.782 20 10 CFCDRN C[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000078781315 525770996 /nfs/dbraw/zinc/77/09/96/525770996.db2.gz OSPQDFIIWICFFL-SSDOTTSWSA-N 0 0 264.152 2.560 20 10 CFCDRN Cc1ccoc1CNC(=O)N(C)Cc1ccccc1O ZINC000292164756 525800464 /nfs/dbraw/zinc/80/04/64/525800464.db2.gz VMOFTQNCJPNOQO-UHFFFAOYSA-N 0 0 274.320 2.635 20 10 CFCDRN COc1cccc(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000015134473 525872448 /nfs/dbraw/zinc/87/24/48/525872448.db2.gz BWAULAMPQGRYNN-UHFFFAOYSA-N 0 0 298.386 2.620 20 10 CFCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccccc1O)O2 ZINC000280016747 526153599 /nfs/dbraw/zinc/15/35/99/526153599.db2.gz TXUPYKSWYMJWQT-KRWDZBQOSA-N 0 0 297.354 2.711 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@H](O)C2)c(C)n1-c1ccccc1C ZINC000174590654 526258240 /nfs/dbraw/zinc/25/82/40/526258240.db2.gz BHGNFAMGOXXCEL-OAHLLOKOSA-N 0 0 298.386 2.609 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188818577 526324002 /nfs/dbraw/zinc/32/40/02/526324002.db2.gz HYRPBLLYEVYXMC-LDYMZIIASA-N 0 0 290.190 2.950 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCSC1 ZINC000230704649 526324379 /nfs/dbraw/zinc/32/43/79/526324379.db2.gz AQQRCWAFMHDZNV-SECBINFHSA-N 0 0 288.210 2.750 20 10 CFCDRN Cc1nnc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000289952153 526328829 /nfs/dbraw/zinc/32/88/29/526328829.db2.gz WMJRIINSKLYHDV-MRVPVSSYSA-N 0 0 281.356 2.585 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000293872532 526332655 /nfs/dbraw/zinc/33/26/55/526332655.db2.gz JECUQVQSXDCMFG-NSHDSACASA-N 0 0 295.745 2.828 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191296790 526344407 /nfs/dbraw/zinc/34/44/07/526344407.db2.gz UVGZHHSQVBVAEX-LLVKDONJSA-N 0 0 298.789 2.855 20 10 CFCDRN Oc1ccc(F)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000290236859 526351904 /nfs/dbraw/zinc/35/19/04/526351904.db2.gz UFHHHXZORAUXJZ-NSHDSACASA-N 0 0 263.234 2.962 20 10 CFCDRN O=C(CCC1CCCC1)NCc1ccc(O)c(O)c1 ZINC000158960432 526403218 /nfs/dbraw/zinc/40/32/18/526403218.db2.gz SLXROCRJBVINML-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H](C1CC1)C(F)(F)F ZINC000287503549 526753615 /nfs/dbraw/zinc/75/36/15/526753615.db2.gz LNGALGHFNSMWKC-LLVKDONJSA-N 0 0 288.269 2.532 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1CCCCC1 ZINC000299472875 526754101 /nfs/dbraw/zinc/75/41/01/526754101.db2.gz DQICRYCOJPRCOE-UHFFFAOYSA-N 0 0 262.353 2.772 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC(c2ccncc2)CC1 ZINC000277088407 526771654 /nfs/dbraw/zinc/77/16/54/526771654.db2.gz BERQEFLQPKBGJJ-UHFFFAOYSA-N 0 0 298.342 2.513 20 10 CFCDRN Cn1cc(NCc2cc(F)ccc2O)c(C2CC2)n1 ZINC000291179723 527274641 /nfs/dbraw/zinc/27/46/41/527274641.db2.gz FNANKCFZEZIRIA-UHFFFAOYSA-N 0 0 261.300 2.754 20 10 CFCDRN Cc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170977887 527355042 /nfs/dbraw/zinc/35/50/42/527355042.db2.gz JNJHDHNWNBUVNP-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN Cc1nccn1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276941676 527431068 /nfs/dbraw/zinc/43/10/68/527431068.db2.gz POCSMSPVOMOTRB-VIFPVBQESA-N 0 0 281.306 2.526 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000050598592 527475278 /nfs/dbraw/zinc/47/52/78/527475278.db2.gz HPKXXJCRKYBDDB-MRXNPFEDSA-N 0 0 280.371 2.827 20 10 CFCDRN Nc1ccc(CCNC(=O)CCOCc2ccccc2)cc1 ZINC000262574330 527479876 /nfs/dbraw/zinc/47/98/76/527479876.db2.gz HJYGMNVEHMQIJF-UHFFFAOYSA-N 0 0 298.386 2.534 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCCC2)C1 ZINC000181138560 527612081 /nfs/dbraw/zinc/61/20/81/527612081.db2.gz KTUWSSMXBSGEOB-GQCTYLIASA-N 0 0 287.359 2.904 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(OC)c1)c1cccnc1C ZINC000493736024 535656985 /nfs/dbraw/zinc/65/69/85/535656985.db2.gz DJDCZFGVDSGUKU-FPLPWBNLSA-N 0 0 297.358 2.860 20 10 CFCDRN Cc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)s1 ZINC001243380551 782172385 /nfs/dbraw/zinc/17/23/85/782172385.db2.gz BYPYLJHJUMOJDJ-UHFFFAOYSA-N 0 0 274.267 2.843 20 10 CFCDRN CN(C)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1F ZINC000727861628 574069307 /nfs/dbraw/zinc/06/93/07/574069307.db2.gz YXKYVWMQFYCDFR-YRNVUSSQSA-N 0 0 296.392 2.723 20 10 CFCDRN COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccccc2O)c1 ZINC000730281758 574070511 /nfs/dbraw/zinc/07/05/11/574070511.db2.gz VAPQJCXNDNUEPF-HZPDHXFCSA-N 0 0 297.354 2.821 20 10 CFCDRN CC[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2O1 ZINC000742001683 574089755 /nfs/dbraw/zinc/08/97/55/574089755.db2.gz XNMLDRQAGDYNBT-VFNNOXKTSA-N 0 0 297.358 2.638 20 10 CFCDRN CCOC(=O)/C(=C\c1cccnc1Cl)c1nccn1C ZINC000728697592 574104846 /nfs/dbraw/zinc/10/48/46/574104846.db2.gz SRCQUXIZCBATPV-LUAWRHEFSA-N 0 0 291.738 2.572 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)c1ccccc1F ZINC000731366374 574118188 /nfs/dbraw/zinc/11/81/88/574118188.db2.gz MVAZTDVNQRHNMN-LLVKDONJSA-N 0 0 273.307 2.951 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCn1nc(C)cc1C ZINC000731664588 574126185 /nfs/dbraw/zinc/12/61/85/574126185.db2.gz OCSJMNUDBKASBL-UHFFFAOYSA-N 0 0 285.391 2.961 20 10 CFCDRN O=C(NCCc1c[nH]c2ccccc12)C1=CC(=O)CS1 ZINC000731862080 574130621 /nfs/dbraw/zinc/13/06/21/574130621.db2.gz ZBYWBZHBCPDPIR-UHFFFAOYSA-N 0 0 286.356 2.908 20 10 CFCDRN O=C(Nc1cccc(-n2cccn2)c1)C1=CC(=O)CS1 ZINC000731869903 574131136 /nfs/dbraw/zinc/13/11/36/574131136.db2.gz QLJAJTQOEBEZAV-UHFFFAOYSA-N 0 0 285.328 2.892 20 10 CFCDRN CN(CCOc1ccccc1F)C(=O)C1=CC(=O)CS1 ZINC000731865167 574131355 /nfs/dbraw/zinc/13/13/55/574131355.db2.gz HDMQBIJLHOAYDU-UHFFFAOYSA-N 0 0 295.335 2.744 20 10 CFCDRN CN(Cc1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000731869376 574132589 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/nfs/dbraw/zinc/21/54/21/574215421.db2.gz YYDAOOXKLWTLEL-UHFFFAOYSA-N 0 0 290.363 2.818 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756339290 574226723 /nfs/dbraw/zinc/22/67/23/574226723.db2.gz DGYDDPSHBUXYKE-SECBINFHSA-N 0 0 272.339 2.661 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)cc1C ZINC000739875496 574227021 /nfs/dbraw/zinc/22/70/21/574227021.db2.gz RDYCENNXBXOYAR-CYBMUJFWSA-N 0 0 289.297 2.772 20 10 CFCDRN Cc1noc([C@H](C)NCc2cc(Cl)ccc2O)n1 ZINC000729683873 574228622 /nfs/dbraw/zinc/22/86/22/574228622.db2.gz DWHUUFYQWIVVQS-ZETCQYMHSA-N 0 0 267.716 2.588 20 10 CFCDRN CC(C)(C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756362347 574229341 /nfs/dbraw/zinc/22/93/41/574229341.db2.gz MBKRLNOTLRTDIA-CYBMUJFWSA-N 0 0 277.364 2.601 20 10 CFCDRN CC(C)(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756362348 574229532 /nfs/dbraw/zinc/22/95/32/574229532.db2.gz MBKRLNOTLRTDIA-ZDUSSCGKSA-N 0 0 277.364 2.601 20 10 CFCDRN C[C@H]([NH2+]CCN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756394927 574233460 /nfs/dbraw/zinc/23/34/60/574233460.db2.gz CXQVTNSSOFUOJG-NSHDSACASA-N 0 0 284.350 2.807 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C)C2CCN(C(=O)[O-])CC2)cc1C ZINC000740087430 574235462 /nfs/dbraw/zinc/23/54/62/574235462.db2.gz BILXRAVUVMSEOW-UHFFFAOYSA-N 0 0 292.379 2.583 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498652 574241763 /nfs/dbraw/zinc/24/17/63/574241763.db2.gz VUKYKIAAZOLULT-ONGXEEELSA-N 0 0 273.323 2.728 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000756523165 574243553 /nfs/dbraw/zinc/24/35/53/574243553.db2.gz BHMRVFAPEMREGA-LBPRGKRZSA-N 0 0 268.376 2.912 20 10 CFCDRN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536896 574244071 /nfs/dbraw/zinc/24/40/71/574244071.db2.gz XEWLESMKFQKROK-NEPJUHHUSA-N 0 0 295.383 2.681 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2c(cc1O)CCCC2 ZINC000748345518 574247883 /nfs/dbraw/zinc/24/78/83/574247883.db2.gz CVPWSHDAIDOREX-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756570800 574248805 /nfs/dbraw/zinc/24/88/05/574248805.db2.gz BLEWBLHIVLNVAT-IGJMFERPSA-N 0 0 273.323 2.728 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@H](C)C(C)(C)C)c1O ZINC000745822359 574250832 /nfs/dbraw/zinc/25/08/32/574250832.db2.gz GMWAUBGLABWMCD-NSHDSACASA-N 0 0 294.395 2.882 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756598495 574251162 /nfs/dbraw/zinc/25/11/62/574251162.db2.gz TZNXCMRHIMTVNH-NOZJJQNGSA-N 0 0 273.323 2.992 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756607109 574251636 /nfs/dbraw/zinc/25/16/36/574251636.db2.gz MPXVDVYIVFNDPR-LOWVWBTDSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000756611050 574251950 /nfs/dbraw/zinc/25/19/50/574251950.db2.gz JBRMHJGXWDXIBL-GUBZILKMSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000756603378 574252048 /nfs/dbraw/zinc/25/20/48/574252048.db2.gz BIMAQZHNPHUQGG-RKDXNWHRSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756619020 574252718 /nfs/dbraw/zinc/25/27/18/574252718.db2.gz VURVKXIVJDEQGP-GHMZBOCLSA-N 0 0 284.350 2.805 20 10 CFCDRN O=C(NCCc1ccccc1F)NCc1ccccc1O ZINC000748462746 574253868 /nfs/dbraw/zinc/25/38/68/574253868.db2.gz HZVZUMOYLGEMCA-UHFFFAOYSA-N 0 0 288.322 2.573 20 10 CFCDRN C[C@@H](NCc1csc(N(C)C)n1)c1cc(F)ccc1O ZINC000756634888 574253931 /nfs/dbraw/zinc/25/39/31/574253931.db2.gz CVXAEFASVMMRDU-SECBINFHSA-N 0 0 295.383 2.905 20 10 CFCDRN C[C@H](NCc1csc(N(C)C)n1)c1cc(F)ccc1O ZINC000756634889 574254016 /nfs/dbraw/zinc/25/40/16/574254016.db2.gz CVXAEFASVMMRDU-VIFPVBQESA-N 0 0 295.383 2.905 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(F)cc(F)c1[O-] ZINC000756645504 574255434 /nfs/dbraw/zinc/25/54/34/574255434.db2.gz GJFGYQNJFTWGQX-KWQFWETISA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@H]([NH2+]CCc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756661694 574256540 /nfs/dbraw/zinc/25/65/40/574256540.db2.gz TVIXNEMPLSJVCH-VIFPVBQESA-N 0 0 293.348 2.650 20 10 CFCDRN CC(C)(C)C(=O)NCCCSc1nccs1 ZINC000733884099 574260295 /nfs/dbraw/zinc/26/02/95/574260295.db2.gz NMFGNILJIDAFFQ-UHFFFAOYSA-N 0 0 258.412 2.788 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(F)cc(F)c1[O-] ZINC000756761037 574261350 /nfs/dbraw/zinc/26/13/50/574261350.db2.gz QTRKFUNUSUGSMC-LDYMZIIASA-N 0 0 293.317 2.602 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000756770134 574261561 /nfs/dbraw/zinc/26/15/61/574261561.db2.gz SNUJTRILLZVOLU-RIEGTJTDSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756817719 574265176 /nfs/dbraw/zinc/26/51/76/574265176.db2.gz NDYWSBLZYOYUJS-SNVBAGLBSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H]([NH2+]CCOC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756840792 574267194 /nfs/dbraw/zinc/26/71/94/574267194.db2.gz ZRVBGDRINSTJFS-JTQLQIEISA-N 0 0 280.324 2.520 20 10 CFCDRN COC(=O)/C(C)=C/CN1CCCc2cc(OC)ccc21 ZINC000748815104 574268679 /nfs/dbraw/zinc/26/86/79/574268679.db2.gz JLXDENWPVMYMPR-XYOKQWHBSA-N 0 0 275.348 2.567 20 10 CFCDRN C[C@@H](Nc1cnn(CCO)c1)c1ccc2ccccc2c1O ZINC000756855027 574268841 /nfs/dbraw/zinc/26/88/41/574268841.db2.gz JXYWGAWGKPFCDB-GFCCVEGCSA-N 0 0 297.358 2.907 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)C2CCCC2)c1 ZINC000749537016 574299792 /nfs/dbraw/zinc/29/97/92/574299792.db2.gz ZTPMFGCHGDILEN-LLVKDONJSA-N 0 0 277.364 2.843 20 10 CFCDRN CC(C)CNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741875427 574308750 /nfs/dbraw/zinc/30/87/50/574308750.db2.gz NGNZEXPYKFXJNR-UHFFFAOYSA-N 0 0 292.448 2.891 20 10 CFCDRN CS[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000735330312 574320915 /nfs/dbraw/zinc/32/09/15/574320915.db2.gz HVRTUVXSEMEZAV-WPRPVWTQSA-N 0 0 271.407 2.858 20 10 CFCDRN c1cnnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC000742254982 574321939 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618643782 /nfs/dbraw/zinc/64/37/82/618643782.db2.gz CMDVLUHIHCBKCQ-YRNVUSSQSA-N 0 0 295.433 2.760 20 10 CFCDRN CC(C)c1nn(C)cc1NCc1cc2c(cc1O)OCO2 ZINC000314168208 618778671 /nfs/dbraw/zinc/77/86/71/618778671.db2.gz HTFQWMKVDIUSRE-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN COC(=O)c1nc(N(C)Cc2ccccc2O)ccc1C ZINC000893019340 618805933 /nfs/dbraw/zinc/80/59/33/618805933.db2.gz RJLRTWLJWAIAPR-UHFFFAOYSA-N 0 0 286.331 2.519 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2nnc(C)o2)c1 ZINC000182411690 625296397 /nfs/dbraw/zinc/29/63/97/625296397.db2.gz AJCCIXLXPRIYGV-DTWKUNHWSA-N 0 0 277.324 2.504 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccs1 ZINC000893113078 618836588 /nfs/dbraw/zinc/83/65/88/618836588.db2.gz UYRQZQWTMHBACX-QMMMGPOBSA-N 0 0 250.323 2.597 20 10 CFCDRN CSc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000182418991 625298876 /nfs/dbraw/zinc/29/88/76/625298876.db2.gz MQQMAKVDRKLBLU-UHFFFAOYSA-N 0 0 295.385 2.915 20 10 CFCDRN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000070333329 625301654 /nfs/dbraw/zinc/30/16/54/625301654.db2.gz PHTFNFOPWMEFBD-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN CON(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000183095958 618903043 /nfs/dbraw/zinc/90/30/43/618903043.db2.gz WDRIBARRVAYTEC-UHFFFAOYSA-N 0 0 287.315 2.610 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)C2(C(=O)[O-])CCCC2)cc1 ZINC000312323406 618930100 /nfs/dbraw/zinc/93/01/00/618930100.db2.gz GSGIJJNZFMAYDK-UHFFFAOYSA-N 0 0 276.380 2.582 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1c2c(nn1C)CCC2 ZINC000893452631 618999012 /nfs/dbraw/zinc/99/90/12/618999012.db2.gz VUYGQJJYNSTHID-UHFFFAOYSA-N 0 0 297.402 2.870 20 10 CFCDRN CCOC(=O)c1cnc(SC[C@H]2CCCO2)s1 ZINC000310115973 619044875 /nfs/dbraw/zinc/04/48/75/619044875.db2.gz SZRICPHMUJTMSC-MRVPVSSYSA-N 0 0 273.379 2.591 20 10 CFCDRN CCCOC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000314038327 619045353 /nfs/dbraw/zinc/04/53/53/619045353.db2.gz ZJLGZGDNJUTWKY-UHFFFAOYSA-N 0 0 292.379 2.502 20 10 CFCDRN CC[C@@H]1COCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184681965 619065905 /nfs/dbraw/zinc/06/59/05/619065905.db2.gz AGWAZMISGDSDGS-GFCCVEGCSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000150787743 619066007 /nfs/dbraw/zinc/06/60/07/619066007.db2.gz LRNKSQQVUQFCPP-NWDGAFQWSA-N 0 0 277.364 2.843 20 10 CFCDRN O=C(NCc1cccc2cccnc21)c1cccc(O)c1O ZINC000184773822 619068598 /nfs/dbraw/zinc/06/85/98/619068598.db2.gz VYEDQQRCSHOWKI-UHFFFAOYSA-N 0 0 294.310 2.576 20 10 CFCDRN CSCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000182475703 625314829 /nfs/dbraw/zinc/31/48/29/625314829.db2.gz LFROLBLCMNCPEF-JTQLQIEISA-N 0 0 283.393 2.620 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2C2CC2)cc1OC ZINC000893573248 619076314 /nfs/dbraw/zinc/07/63/14/619076314.db2.gz MYUNMSPKGLDGLR-UHFFFAOYSA-N 0 0 287.363 2.872 20 10 CFCDRN CCc1nn(C)cc1NCc1ccc(N(C)C)cc1C ZINC000840936228 619076957 /nfs/dbraw/zinc/07/69/57/619076957.db2.gz HBTSURRCZIIOFV-UHFFFAOYSA-N 0 0 272.396 2.969 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000840935939 619077109 /nfs/dbraw/zinc/07/71/09/619077109.db2.gz DXOSUAVGHAEALS-UHFFFAOYSA-N 0 0 298.434 2.812 20 10 CFCDRN Cc1cc(O)c(CN[C@H]2CCn3ccnc32)c(Cl)c1 ZINC000840949121 619117737 /nfs/dbraw/zinc/11/77/37/619117737.db2.gz NXXGFQNXEPMCHZ-LBPRGKRZSA-N 0 0 277.755 2.785 20 10 CFCDRN Cc1cc(O)c(CNCc2nnc(C3CC3)[nH]2)c(Cl)c1 ZINC000840951414 619122759 /nfs/dbraw/zinc/12/27/59/619122759.db2.gz WHKPIAPTJZDAPK-UHFFFAOYSA-N 0 0 292.770 2.639 20 10 CFCDRN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(O)c1O ZINC000317922247 619127655 /nfs/dbraw/zinc/12/76/55/619127655.db2.gz WTYZIHBMYKHRLZ-UHFFFAOYSA-N 0 0 298.342 2.950 20 10 CFCDRN CC[S@](C)(=O)=NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000925816878 619135434 /nfs/dbraw/zinc/13/54/34/619135434.db2.gz KTTKCZJNWSFDRJ-IBGZPJMESA-N 0 0 299.373 2.570 20 10 CFCDRN CCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562196 619251332 /nfs/dbraw/zinc/25/13/32/619251332.db2.gz IKROTQAOSAHDDX-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1F ZINC000178863193 619262260 /nfs/dbraw/zinc/26/22/60/619262260.db2.gz WLNGNOGTAWHEOY-YWEYNIOJSA-N 0 0 273.741 2.968 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000832432042 625331696 /nfs/dbraw/zinc/33/16/96/625331696.db2.gz YNNUMCWUFDTZBC-SPWCGHHHSA-N 0 0 272.392 2.976 20 10 CFCDRN CCON(CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000879796183 619368409 /nfs/dbraw/zinc/36/84/09/619368409.db2.gz OGSASBJGCSLLIC-UHFFFAOYSA-N 0 0 255.289 2.507 20 10 CFCDRN CN(Cc1ncc[nH]1)Cc1cc(Br)ccc1O ZINC000894584560 619424497 /nfs/dbraw/zinc/42/44/97/619424497.db2.gz WCENQPYJEXBYGX-UHFFFAOYSA-N 0 0 296.168 2.510 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2ncc[nH]2)cc1Cl ZINC000894586493 619424813 /nfs/dbraw/zinc/42/48/13/619424813.db2.gz FXDYIDQQTJDAIG-UHFFFAOYSA-N 0 0 265.744 2.709 20 10 CFCDRN Oc1c(F)cc(F)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000894593346 619427621 /nfs/dbraw/zinc/42/76/21/619427621.db2.gz RLAKGZUDGLQSIK-CYBMUJFWSA-N 0 0 291.297 2.594 20 10 CFCDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894747282 619454871 /nfs/dbraw/zinc/45/48/71/619454871.db2.gz FZNURYPDTFLKQG-RISCZKNCSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1nnc([C@H](C)NCc2cc(Cl)c(C)cc2O)[nH]1 ZINC000894777403 619463374 /nfs/dbraw/zinc/46/33/74/619463374.db2.gz JMZNCLPZVIDWLO-QMMMGPOBSA-N 0 0 280.759 2.631 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000894856588 619485040 /nfs/dbraw/zinc/48/50/40/619485040.db2.gz YXXCCMJLPSKRHP-CYBMUJFWSA-N 0 0 283.318 2.550 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000894977023 619520558 /nfs/dbraw/zinc/52/05/58/619520558.db2.gz QYMDMFHZEOQNHV-UHFFFAOYSA-N 0 0 257.255 2.604 20 10 CFCDRN CC(C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895563698 619556109 /nfs/dbraw/zinc/55/61/09/619556109.db2.gz LGHAXIIGUOWBFW-UHFFFAOYSA-N 0 0 265.334 2.793 20 10 CFCDRN CCOC(=O)C[C@@](C)(NC(=O)C1=CC(=O)CS1)C(C)C ZINC000832460338 625356320 /nfs/dbraw/zinc/35/63/20/625356320.db2.gz GCGFWONCICEKES-CQSZACIVSA-N 0 0 299.392 2.551 20 10 CFCDRN Cc1cccc(CNC2(c3ncccn3)CCC2)c1O ZINC000895621816 619569737 /nfs/dbraw/zinc/56/97/37/619569737.db2.gz ADWOCNARHNDEOB-UHFFFAOYSA-N 0 0 269.348 2.660 20 10 CFCDRN Cc1cc(O)c(CNCc2nc(C(F)F)no2)cc1C ZINC000895726935 619592387 /nfs/dbraw/zinc/59/23/87/619592387.db2.gz LEDRQFAGSRGNHF-UHFFFAOYSA-N 0 0 283.278 2.619 20 10 CFCDRN Oc1cc(F)c(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000895741582 619593868 /nfs/dbraw/zinc/59/38/68/619593868.db2.gz JJTVRHVWXLGPDM-UHFFFAOYSA-N 0 0 297.717 2.593 20 10 CFCDRN Cc1nc(CN2Cc3cccc(O)c3C2)sc1C ZINC000895784207 619605963 /nfs/dbraw/zinc/60/59/63/619605963.db2.gz DYYFKSPYBJKQAP-UHFFFAOYSA-N 0 0 260.362 2.981 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000895780014 619608579 /nfs/dbraw/zinc/60/85/79/619608579.db2.gz ZOIKWCMOFBBYNF-PHIMTYICSA-N 0 0 299.823 2.849 20 10 CFCDRN Cc1cccc(O)c1C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000895802799 619611770 /nfs/dbraw/zinc/61/17/70/619611770.db2.gz PZVMFNVRFYACTI-CYBMUJFWSA-N 0 0 263.381 2.995 20 10 CFCDRN COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000895854379 619623244 /nfs/dbraw/zinc/62/32/44/619623244.db2.gz KJFWDLBTPYNKPX-TZMCWYRMSA-N 0 0 299.798 2.577 20 10 CFCDRN CC1(C)CC[C@H](CO)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895921979 619634676 /nfs/dbraw/zinc/63/46/76/619634676.db2.gz DUPPLWVDUGBDFF-GFCCVEGCSA-N 0 0 285.334 2.653 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896637685 619780649 /nfs/dbraw/zinc/78/06/49/619780649.db2.gz LHASMJXDGATFLZ-GHMZBOCLSA-N 0 0 253.317 2.579 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000896638292 619780868 /nfs/dbraw/zinc/78/08/68/619780868.db2.gz ABSALHUHGCGVEZ-VQISRLSMSA-N 0 0 277.339 2.579 20 10 CFCDRN Cc1nn(C)c(CNCc2c(O)cccc2F)c1Cl ZINC000896641182 619781313 /nfs/dbraw/zinc/78/13/13/619781313.db2.gz LQDCEYKMDIWQRO-UHFFFAOYSA-N 0 0 283.734 2.516 20 10 CFCDRN CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3c([O-])cccc3F)C[C@H]2C1 ZINC000896639576 619781429 /nfs/dbraw/zinc/78/14/29/619781429.db2.gz WRWLOBUKMKQYLP-MPZDIEGVSA-N 0 0 279.355 2.825 20 10 CFCDRN COCc1cccc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896640619 619781473 /nfs/dbraw/zinc/78/14/73/619781473.db2.gz KBPMZODFQLYOOR-UHFFFAOYSA-N 0 0 275.323 2.968 20 10 CFCDRN Cc1csc(CNCc2c(O)cccc2F)n1 ZINC000896641835 619782271 /nfs/dbraw/zinc/78/22/71/619782271.db2.gz SYCCQQXJAABJLK-UHFFFAOYSA-N 0 0 252.314 2.586 20 10 CFCDRN c1csc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000108877518 619869320 /nfs/dbraw/zinc/86/93/20/619869320.db2.gz FFBBFCLIUQDHQT-UHFFFAOYSA-N 0 0 275.377 2.592 20 10 CFCDRN [O-]c1c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)ccc(F)c1F ZINC000897082930 619926358 /nfs/dbraw/zinc/92/63/58/619926358.db2.gz YIDOTTQSFLKJQS-IUODEOHRSA-N 0 0 297.345 2.965 20 10 CFCDRN C[C@@H](CO)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000121307444 619972745 /nfs/dbraw/zinc/97/27/45/619972745.db2.gz QHPORQRQEKBGGW-SNVBAGLBSA-N 0 0 289.297 2.966 20 10 CFCDRN CCCN(CCC)C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121314905 619979807 /nfs/dbraw/zinc/97/98/07/619979807.db2.gz ZXWBMGXTKUTCQD-UHFFFAOYSA-N 0 0 292.379 2.500 20 10 CFCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000928705562 619995130 /nfs/dbraw/zinc/99/51/30/619995130.db2.gz LJKHSPKIDNEMQO-SNVBAGLBSA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCCC1(F)F ZINC000928706829 619995788 /nfs/dbraw/zinc/99/57/88/619995788.db2.gz VUWQODXLPGPANF-SNVBAGLBSA-N 0 0 287.281 2.973 20 10 CFCDRN Cc1nc(CCC(=O)NCc2c(O)cccc2F)cs1 ZINC000928706735 619995792 /nfs/dbraw/zinc/99/57/92/619995792.db2.gz YQANZSHXIIRHTR-UHFFFAOYSA-N 0 0 294.351 2.545 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCCC1(F)F ZINC000928706828 619996004 /nfs/dbraw/zinc/99/60/04/619996004.db2.gz VUWQODXLPGPANF-JTQLQIEISA-N 0 0 287.281 2.973 20 10 CFCDRN CCC[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2F)CCO1 ZINC000928709197 619996427 /nfs/dbraw/zinc/99/64/27/619996427.db2.gz YEUNSJMLYVCJTE-VXGBXAGGSA-N 0 0 295.354 2.743 20 10 CFCDRN C[C@H](CC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928712229 619996840 /nfs/dbraw/zinc/99/68/40/619996840.db2.gz PBAWDJVTEASEIZ-SECBINFHSA-N 0 0 251.301 2.584 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccoc2C)SC1=S ZINC000840731219 620075416 /nfs/dbraw/zinc/07/54/16/620075416.db2.gz WNYGFJCHGTXWPU-RMKNXTFCSA-N 0 0 253.348 2.809 20 10 CFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)C1(F)F ZINC000862437799 620114188 /nfs/dbraw/zinc/11/41/88/620114188.db2.gz BBTWFOQBJKPFQC-OCAPTIKFSA-N 0 0 275.320 2.817 20 10 CFCDRN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccccc1O ZINC000897523207 620204018 /nfs/dbraw/zinc/20/40/18/620204018.db2.gz RSOKBMKWWMJKAE-CYBMUJFWSA-N 0 0 291.313 2.965 20 10 CFCDRN C[C@@H]([NH2+]CCc1cncn1C)c1ccc(Cl)cc1[O-] ZINC000841751801 620217440 /nfs/dbraw/zinc/21/74/40/620217440.db2.gz KILFAGRPFLHCCD-SNVBAGLBSA-N 0 0 279.771 2.672 20 10 CFCDRN C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(Cl)cc1[O-] ZINC000841752262 620219245 /nfs/dbraw/zinc/21/92/45/620219245.db2.gz NXGFHPNKWGIFHX-JTQLQIEISA-N 0 0 269.772 2.859 20 10 CFCDRN C[C@@H](N[C@H](C)c1ccc(Cl)cc1O)c1ncn(C)n1 ZINC000841753437 620236068 /nfs/dbraw/zinc/23/60/68/620236068.db2.gz SZKHBDINBRNICD-RKDXNWHRSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754181 620241649 /nfs/dbraw/zinc/24/16/49/620241649.db2.gz IJEUOMCZXIQMQF-ZJUUUORDSA-N 0 0 257.761 2.715 20 10 CFCDRN Cc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1O ZINC000148636902 620251728 /nfs/dbraw/zinc/25/17/28/620251728.db2.gz GNVDETUGKDFGTK-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN C[N@@H+]1C[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@]2(C)C1 ZINC000897620093 620261742 /nfs/dbraw/zinc/26/17/42/620261742.db2.gz HBTADGNONRYBHL-ABAIWWIYSA-N 0 0 298.789 2.568 20 10 CFCDRN C[C@H]1CC2(CC([NH2+]Cc3cc(F)cc(F)c3[O-])C2)CO1 ZINC000897773697 620279676 /nfs/dbraw/zinc/27/96/76/620279676.db2.gz LKZGFVGIUXBECN-AAYUTKSQSA-N 0 0 283.318 2.718 20 10 CFCDRN Cc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000897950332 620309606 /nfs/dbraw/zinc/30/96/06/620309606.db2.gz BQOLTPJRAWEKSP-RDTXWAMCSA-N 0 0 299.370 2.532 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)ccc1[N+](=O)[O-] ZINC000897954531 620310883 /nfs/dbraw/zinc/31/08/83/620310883.db2.gz GQZYSOPRHWPALH-ZMLRMANQSA-N 0 0 292.335 2.587 20 10 CFCDRN Oc1ccccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898094427 620332081 /nfs/dbraw/zinc/33/20/81/620332081.db2.gz ARKKYGJHGHDADJ-CYBMUJFWSA-N 0 0 273.336 2.552 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000898286834 620364679 /nfs/dbraw/zinc/36/46/79/620364679.db2.gz MQLYYKVHZDNQDJ-FPMFFAJLSA-N 0 0 274.364 2.722 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000926936729 620427703 /nfs/dbraw/zinc/42/77/03/620427703.db2.gz MGCDEOHQCLEBMT-XQLPTFJDSA-N 0 0 273.376 2.942 20 10 CFCDRN C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000926999558 620438023 /nfs/dbraw/zinc/43/80/23/620438023.db2.gz KVOHZSCSGUALLR-JTQLQIEISA-N 0 0 297.782 2.849 20 10 CFCDRN COc1cc(C)cc(CNC(C)(C)C(=O)OC(C)C)c1O ZINC000898506981 620472162 /nfs/dbraw/zinc/47/21/62/620472162.db2.gz ZSWGEUDCRQBJTI-UHFFFAOYSA-N 0 0 295.379 2.529 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CC(C)(C)CO2)c1 ZINC000899133409 620523424 /nfs/dbraw/zinc/52/34/24/620523424.db2.gz LINCJKBNRSKZOE-CYBMUJFWSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000899181694 620528332 /nfs/dbraw/zinc/52/83/32/620528332.db2.gz KFQITBRGGMBFDM-VIFPVBQESA-N 0 0 290.388 2.885 20 10 CFCDRN O=C1/C(=C/c2cnn(CCF)c2)c2cccc3c2N1CCC3 ZINC000901522603 620844927 /nfs/dbraw/zinc/84/49/27/620844927.db2.gz QPSNYOUENFFUEC-OQLLNIDSSA-N 0 0 297.333 2.686 20 10 CFCDRN O=C1/C(=C\c2cnn(CCF)c2)c2cccc3c2N1CCC3 ZINC000901522525 620844969 /nfs/dbraw/zinc/84/49/69/620844969.db2.gz QPSNYOUENFFUEC-DHDCSXOGSA-N 0 0 297.333 2.686 20 10 CFCDRN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1[O-] ZINC000902440525 621080366 /nfs/dbraw/zinc/08/03/66/621080366.db2.gz ZFHRIGVJVSGJRD-UDTVLSCZSA-N 0 0 286.350 2.807 20 10 CFCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccncc1 ZINC000832659198 625464893 /nfs/dbraw/zinc/46/48/93/625464893.db2.gz SHBVAOQLEWQKQP-ZDUSSCGKSA-N 0 0 283.375 2.516 20 10 CFCDRN C[C@@H]([NH2+]Cc1csc(N)n1)c1cc(F)cc(F)c1[O-] ZINC000902500852 621105759 /nfs/dbraw/zinc/10/57/59/621105759.db2.gz XYXBFRLJKZTGJU-ZCFIWIBFSA-N 0 0 285.319 2.560 20 10 CFCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccncc1 ZINC000832659197 625465512 /nfs/dbraw/zinc/46/55/12/625465512.db2.gz SHBVAOQLEWQKQP-CYBMUJFWSA-N 0 0 283.375 2.516 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)OC1COC1 ZINC000902935114 621209444 /nfs/dbraw/zinc/20/94/44/621209444.db2.gz XFZWRGDNQRCAAZ-UHFFFAOYSA-N 0 0 279.336 2.530 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1[O-] ZINC000903209844 621288781 /nfs/dbraw/zinc/28/87/81/621288781.db2.gz GDDOPWFWKPCZDF-WDEREUQCSA-N 0 0 296.798 2.565 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(F)cc1[O-] ZINC000903302303 621316939 /nfs/dbraw/zinc/31/69/39/621316939.db2.gz YTWZXQDLUGGTKO-BPNCWPANSA-N 0 0 266.360 2.665 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc(Cl)c1[O-] ZINC000903317791 621330674 /nfs/dbraw/zinc/33/06/74/621330674.db2.gz NCLWQHZBQJIYJZ-GXFFZTMASA-N 0 0 268.788 2.790 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(C)(C)OC)c1 ZINC000903332914 621342340 /nfs/dbraw/zinc/34/23/40/621342340.db2.gz VJDAQPJVZKUECA-MNOVXSKESA-N 0 0 295.379 2.643 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(F)cc1[O-] ZINC000903391289 621350404 /nfs/dbraw/zinc/35/04/04/621350404.db2.gz XGPDAYDAMGEOMI-IAQYHMDHSA-N 0 0 295.354 2.520 20 10 CFCDRN Cc1cccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183429668 625488360 /nfs/dbraw/zinc/48/83/60/625488360.db2.gz ZZQQKDGWWZOVHH-CYBMUJFWSA-N 0 0 299.370 2.696 20 10 CFCDRN C[C@H](c1nc(Cc2ccc(N)cc2)no1)[C@H]1CCCO1 ZINC000904076505 621517078 /nfs/dbraw/zinc/51/70/78/621517078.db2.gz CMAPLFWVWYFIPH-GXFFZTMASA-N 0 0 273.336 2.525 20 10 CFCDRN CCCCN(O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000904166597 621539950 /nfs/dbraw/zinc/53/99/50/621539950.db2.gz AJPNJHITNGIABE-UHFFFAOYSA-N 0 0 283.347 2.593 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)c1 ZINC000183471641 625503114 /nfs/dbraw/zinc/50/31/14/625503114.db2.gz QNCXQQWJJDYPSW-JTQLQIEISA-N 0 0 289.306 2.598 20 10 CFCDRN OC1CCN(c2ccc(/C=C/c3ccncn3)cc2)CC1 ZINC000905075162 621698604 /nfs/dbraw/zinc/69/86/04/621698604.db2.gz SAQCZHTZDUTCKZ-DAFODLJHSA-N 0 0 281.359 2.608 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000905449863 621767193 /nfs/dbraw/zinc/76/71/93/621767193.db2.gz ZDBHYHPVFMZJIM-BBRMVZONSA-N 0 0 290.407 2.526 20 10 CFCDRN Cc1ccc(O)c(CNc2cc(C(N)=O)ccc2F)c1 ZINC000071407585 625515579 /nfs/dbraw/zinc/51/55/79/625515579.db2.gz HWOYWBBWGKAFGY-UHFFFAOYSA-N 0 0 274.295 2.551 20 10 CFCDRN CCn1nc(C2CC2)cc1C(=O)N(C)Cc1ccccc1O ZINC000906991269 622073278 /nfs/dbraw/zinc/07/32/78/622073278.db2.gz KUFUAYZUAYVPCE-UHFFFAOYSA-N 0 0 299.374 2.758 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](O)CC ZINC000908044791 622190364 /nfs/dbraw/zinc/19/03/64/622190364.db2.gz GKCKLJGWQFDGGF-UKRRQHHQSA-N 0 0 293.407 2.928 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2S1 ZINC000155603416 622305553 /nfs/dbraw/zinc/30/55/53/622305553.db2.gz PLVDZLIOZBOJIG-ABZNLYFFSA-N 0 0 299.399 2.961 20 10 CFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC=CC3)ccc21 ZINC000910007007 622390249 /nfs/dbraw/zinc/39/02/49/622390249.db2.gz GVRDDRUPCWATIJ-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN Cc1ccc(C[C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910949975 622488834 /nfs/dbraw/zinc/48/88/34/622488834.db2.gz RJJHEPOMUYMVKW-CYBMUJFWSA-N 0 0 299.370 2.901 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(O)cc1O)C1CCCC1 ZINC000910951960 622489279 /nfs/dbraw/zinc/48/92/79/622489279.db2.gz ZRURXVXBYPCPPZ-JTQLQIEISA-N 0 0 263.337 2.540 20 10 CFCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(O)cc1O ZINC000910952026 622489291 /nfs/dbraw/zinc/48/92/91/622489291.db2.gz PINFXMSDFFNFTQ-LLVKDONJSA-N 0 0 265.353 2.930 20 10 CFCDRN CC(C)C[C@H](C)OCCC(=O)NCc1ccc(O)cc1O ZINC000910951062 622489453 /nfs/dbraw/zinc/48/94/53/622489453.db2.gz OMWCYPCJOYRJRV-LBPRGKRZSA-N 0 0 295.379 2.555 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)c1cc2c(s1)CCC2 ZINC000910959210 622489962 /nfs/dbraw/zinc/48/99/62/622489962.db2.gz ZEHAHVCWZOQLKP-UHFFFAOYSA-N 0 0 289.356 2.578 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944051 622491160 /nfs/dbraw/zinc/49/11/60/622491160.db2.gz JXJNPBMYOFHURL-GWCFXTLKSA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC2CCC1CC2 ZINC000910943767 622491310 /nfs/dbraw/zinc/49/13/10/622491310.db2.gz GVFSIIGFSGOSHV-MGULZYLOSA-N 0 0 275.348 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H]1C1CCCC1 ZINC000910942573 622491395 /nfs/dbraw/zinc/49/13/95/622491395.db2.gz FICIDIZBVYENHB-KGLIPLIRSA-N 0 0 275.348 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1C1CCCC1 ZINC000910942574 622491452 /nfs/dbraw/zinc/49/14/52/622491452.db2.gz FICIDIZBVYENHB-UONOGXRCSA-N 0 0 275.348 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000910945822 622491645 /nfs/dbraw/zinc/49/16/45/622491645.db2.gz ZQBVFSDMRGKDAP-HUUCEWRRSA-N 0 0 289.375 2.930 20 10 CFCDRN CC[C@@H](C)CCC(=O)NCc1ccc(O)cc1O ZINC000910945993 622491784 /nfs/dbraw/zinc/49/17/84/622491784.db2.gz HAFPYTYCMCZLGJ-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(O)cc1O ZINC000910944998 622491985 /nfs/dbraw/zinc/49/19/85/622491985.db2.gz RQMKMWVCDGAXQR-MRVPVSSYSA-N 0 0 291.269 2.693 20 10 CFCDRN CC(C)[C@H]1C[C@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000911660140 622531841 /nfs/dbraw/zinc/53/18/41/622531841.db2.gz HBGZMMUGCZACJY-BXUZGUMPSA-N 0 0 262.353 2.659 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC1=CCCCC1 ZINC000833791664 625578141 /nfs/dbraw/zinc/57/81/41/625578141.db2.gz VZEQFABXCPVBNV-CLFYSBASSA-N 0 0 273.332 2.728 20 10 CFCDRN CC(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820188362 622622119 /nfs/dbraw/zinc/62/21/19/622622119.db2.gz KWJCJDOUPUBCAZ-JTQLQIEISA-N 0 0 276.340 2.871 20 10 CFCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000820409720 622665770 /nfs/dbraw/zinc/66/57/70/622665770.db2.gz ZJPOITDKONZQDC-NXEZZACHSA-N 0 0 274.324 2.577 20 10 CFCDRN CCOc1ccc(N(C)Cc2nccn2CC)cc1 ZINC000150730751 622717438 /nfs/dbraw/zinc/71/74/38/622717438.db2.gz GQRUJEMWEQOJOX-UHFFFAOYSA-N 0 0 259.353 2.938 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC=CC12CCCCC2 ZINC000912474745 622724526 /nfs/dbraw/zinc/72/45/26/622724526.db2.gz REIOJSHJYYXFPL-UHFFFAOYSA-N 0 0 273.332 2.813 20 10 CFCDRN CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC000820656681 622728687 /nfs/dbraw/zinc/72/86/87/622728687.db2.gz UOWXZSTXHBWPKT-UHFFFAOYSA-N 0 0 274.324 2.769 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCCC2CCC2)cc1 ZINC000820751672 622749880 /nfs/dbraw/zinc/74/98/80/622749880.db2.gz OWMGMBUZPQRYKR-UHFFFAOYSA-N 0 0 274.324 2.769 20 10 CFCDRN CCN(Cc1snnc1C)Cc1ccc(N(C)C)cc1 ZINC000820850395 622774110 /nfs/dbraw/zinc/77/41/10/622774110.db2.gz CPKFCLPVHUIVRX-UHFFFAOYSA-N 0 0 290.436 2.935 20 10 CFCDRN C[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000820938740 622799887 /nfs/dbraw/zinc/79/98/87/622799887.db2.gz DSBPUFZLFLOWKH-ZYHUDNBSSA-N 0 0 292.331 2.650 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2c(C)cc(C)nc2C)c1 ZINC000913000588 622816565 /nfs/dbraw/zinc/81/65/65/622816565.db2.gz ONSGNJDZPJPSPJ-UHFFFAOYSA-N 0 0 284.359 2.951 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)CCCF)C2CC2)cc1 ZINC000821033607 622826423 /nfs/dbraw/zinc/82/64/23/622826423.db2.gz XCJBZCGJKCVJHG-UHFFFAOYSA-N 0 0 278.371 2.993 20 10 CFCDRN CC(C)N(CC(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821042286 622830583 /nfs/dbraw/zinc/83/05/83/622830583.db2.gz COVIKEADCXTDOB-UHFFFAOYSA-N 0 0 298.293 2.965 20 10 CFCDRN COc1cc(NCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000163772322 622923469 /nfs/dbraw/zinc/92/34/69/622923469.db2.gz ZJNOBLVEVULHCI-UHFFFAOYSA-N 0 0 274.276 2.921 20 10 CFCDRN CC[C@H](CSC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821720666 622965119 /nfs/dbraw/zinc/96/51/19/622965119.db2.gz QPVKTGWFAGPONA-SNVBAGLBSA-N 0 0 294.380 2.720 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC23CCC(CC2)C3)cc1 ZINC000821862732 622996504 /nfs/dbraw/zinc/99/65/04/622996504.db2.gz UYVJIBDQRXJCBJ-UHFFFAOYSA-N 0 0 286.335 2.912 20 10 CFCDRN Nc1ccc(NC(=O)CC2CCSCC2)cc1 ZINC000157529763 623038998 /nfs/dbraw/zinc/03/89/98/623038998.db2.gz HZBPXAQMABHJNU-UHFFFAOYSA-N 0 0 250.367 2.741 20 10 CFCDRN Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1ccccc1C ZINC000058510224 623051007 /nfs/dbraw/zinc/05/10/07/623051007.db2.gz KPXUHOYKMFKORK-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCc3ccoc3)ccc21 ZINC000058573131 623052704 /nfs/dbraw/zinc/05/27/04/623052704.db2.gz FNYBPJBKIXRELU-UHFFFAOYSA-N 0 0 299.374 2.661 20 10 CFCDRN CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265376 623066483 /nfs/dbraw/zinc/06/64/83/623066483.db2.gz OLLOHIFFMYCTOK-OAHLLOKOSA-N 0 0 278.396 2.526 20 10 CFCDRN CCCCC[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265259 623066730 /nfs/dbraw/zinc/06/67/30/623066730.db2.gz LUWUCMHBQWCJIV-INIZCTEOSA-N 0 0 292.423 2.652 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822278434 623069387 /nfs/dbraw/zinc/06/93/87/623069387.db2.gz WPDZISFYOGDCLN-BXKDBHETSA-N 0 0 274.324 2.767 20 10 CFCDRN C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822278436 623069432 /nfs/dbraw/zinc/06/94/32/623069432.db2.gz WPDZISFYOGDCLN-JOYOIKCWSA-N 0 0 274.324 2.767 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(F)F)no2)cc1OC ZINC000822588544 623131829 /nfs/dbraw/zinc/13/18/29/623131829.db2.gz VXMXYKYSXHHERD-UHFFFAOYSA-N 0 0 299.277 2.661 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000228513154 623147191 /nfs/dbraw/zinc/14/71/91/623147191.db2.gz KUSGYZXLNLGRCL-JFGNBEQYSA-N 0 0 263.337 2.652 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000228553209 623148941 /nfs/dbraw/zinc/14/89/41/623148941.db2.gz PBEPIBMFNKIQLO-UWVGGRQHSA-N 0 0 255.358 2.935 20 10 CFCDRN COc1ccccc1NC(=S)NCc1ncccc1F ZINC000170296169 623161787 /nfs/dbraw/zinc/16/17/87/623161787.db2.gz BAOIWZDREJBJHR-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN O=c1c2ccccc2ncn1CCSc1nccs1 ZINC000172160283 623265312 /nfs/dbraw/zinc/26/53/12/623265312.db2.gz NYJQGMIEEDLJMP-UHFFFAOYSA-N 0 0 289.385 2.645 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000230672471 623290306 /nfs/dbraw/zinc/29/03/06/623290306.db2.gz ITXVHBWAFGIBLX-QWRGUYRKSA-N 0 0 253.317 2.609 20 10 CFCDRN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000172681353 623299024 /nfs/dbraw/zinc/29/90/24/623299024.db2.gz YECWRQXZLBSXRS-ZDUSSCGKSA-N 0 0 277.412 2.844 20 10 CFCDRN CC(C)(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823499784 623334718 /nfs/dbraw/zinc/33/47/18/623334718.db2.gz XCIRLRFRAQZQHT-UHFFFAOYSA-N 0 0 288.351 2.967 20 10 CFCDRN CCc1ccc(CC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000173579434 623358684 /nfs/dbraw/zinc/35/86/84/623358684.db2.gz GGXJVCXKQPKBTK-UHFFFAOYSA-N 0 0 299.370 2.822 20 10 CFCDRN COc1ccc(N(C)CCOC(C)C)cc1OC ZINC000063617023 623367906 /nfs/dbraw/zinc/36/79/06/623367906.db2.gz TWFOBHYQVNPERF-UHFFFAOYSA-N 0 0 253.342 2.565 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000823986681 623429933 /nfs/dbraw/zinc/42/99/33/623429933.db2.gz NIGHWVRKXUEGOW-DVOKIVJVSA-N 0 0 291.778 2.954 20 10 CFCDRN CCOc1ccc(N(C)Cc2nn(CC)nc2C)cc1 ZINC000824131444 623457122 /nfs/dbraw/zinc/45/71/22/623457122.db2.gz UBALWDZAZARIDW-UHFFFAOYSA-N 0 0 274.368 2.642 20 10 CFCDRN Cc1cc(O)c(CN2CCc3c(ncn3C)C2)cc1Cl ZINC000824478661 623512352 /nfs/dbraw/zinc/51/23/52/623512352.db2.gz NHWLHJBSGXDZCY-UHFFFAOYSA-N 0 0 291.782 2.646 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000824581883 623528904 /nfs/dbraw/zinc/52/89/04/623528904.db2.gz WLPJVZSWTFCHDF-UHFFFAOYSA-N 0 0 285.771 2.737 20 10 CFCDRN C[C@@H](CCCCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824653494 623539658 /nfs/dbraw/zinc/53/96/58/623539658.db2.gz BWBWRNYXMNBDKT-VIFPVBQESA-N 0 0 275.751 2.825 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1F ZINC000824669344 623543002 /nfs/dbraw/zinc/54/30/02/623543002.db2.gz JIDAJMKHORPATB-LBPRGKRZSA-N 0 0 278.371 2.944 20 10 CFCDRN Cc1cccc(CN[C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000824847204 623577012 /nfs/dbraw/zinc/57/70/12/623577012.db2.gz WWIHYVGZGUUJIQ-AWEZNQCLSA-N 0 0 279.380 2.766 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824903355 623584742 /nfs/dbraw/zinc/58/47/42/623584742.db2.gz FKCPSDDZVNXFKP-VXGBXAGGSA-N 0 0 273.735 2.842 20 10 CFCDRN Cc1ccc([C@@H](C)NC(=O)NCc2c(O)cccc2F)o1 ZINC000913911074 623643903 /nfs/dbraw/zinc/64/39/03/623643903.db2.gz QFRAZGBGQAABDU-SNVBAGLBSA-N 0 0 292.310 2.993 20 10 CFCDRN Cc1cc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000825221027 623651872 /nfs/dbraw/zinc/65/18/72/623651872.db2.gz DXRRCMCETMOTBS-UHFFFAOYSA-N 0 0 287.319 2.602 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338188 623676858 /nfs/dbraw/zinc/67/68/58/623676858.db2.gz NHYYALJCFRERBC-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccc(Cl)c2[O-])C1 ZINC000825338374 623676999 /nfs/dbraw/zinc/67/69/99/623676999.db2.gz PJJLHDZMKIYSFK-CYBMUJFWSA-N 0 0 282.815 2.960 20 10 CFCDRN O=C(N1Cc2cccc(O)c2C1)C1(Nc2ccccc2)CC1 ZINC000825356424 623679936 /nfs/dbraw/zinc/67/99/36/623679936.db2.gz UPPTUYYFTNZZOE-UHFFFAOYSA-N 0 0 294.354 2.879 20 10 CFCDRN CCCN(Cc1cccc(OC)c1O)CC(F)F ZINC000092737524 623712493 /nfs/dbraw/zinc/71/24/93/623712493.db2.gz ROJDZXQKFCULMZ-UHFFFAOYSA-N 0 0 259.296 2.878 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000825548505 623713771 /nfs/dbraw/zinc/71/37/71/623713771.db2.gz HIHBLVNKCWGDHB-OAHLLOKOSA-N 0 0 281.783 2.965 20 10 CFCDRN CCC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000152505065 623724426 /nfs/dbraw/zinc/72/44/26/623724426.db2.gz ROKOLGURXNTOKY-CQSZACIVSA-N 0 0 279.380 2.710 20 10 CFCDRN CCC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000152505136 623724895 /nfs/dbraw/zinc/72/48/95/623724895.db2.gz ROKOLGURXNTOKY-AWEZNQCLSA-N 0 0 279.380 2.710 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1 ZINC000825658190 623732358 /nfs/dbraw/zinc/73/23/58/623732358.db2.gz DCPVDHSIQOAPIP-OAHLLOKOSA-N 0 0 296.370 2.535 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825840191 623759515 /nfs/dbraw/zinc/75/95/15/623759515.db2.gz RBHSALFVEAAJHS-SMDDNHRTSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1cc(O)c(CN(CC(F)F)C[C@H](C)O)cc1Cl ZINC000826089244 623792976 /nfs/dbraw/zinc/79/29/76/623792976.db2.gz BNTWGABOMCRZJZ-VIFPVBQESA-N 0 0 293.741 2.802 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)c(Cl)c1 ZINC000842775402 623804151 /nfs/dbraw/zinc/80/41/51/623804151.db2.gz NGJIMUKIWYUTAB-ZJUUUORDSA-N 0 0 255.745 2.621 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C)Cc2c[nH]cn2)cc1 ZINC000826768554 623869269 /nfs/dbraw/zinc/86/92/69/623869269.db2.gz CKYCXIYBVCTZLO-PLNGDYQASA-N 0 0 270.380 2.621 20 10 CFCDRN COCCC1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000826899366 623905586 /nfs/dbraw/zinc/90/55/86/623905586.db2.gz LQCHVMCIWKEDKI-UHFFFAOYSA-N 0 0 255.745 2.514 20 10 CFCDRN Cc1cc(Cl)cc(CN[C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889060 623903481 /nfs/dbraw/zinc/90/34/81/623903481.db2.gz QJVQFOXRQUMZHE-BXKDBHETSA-N 0 0 292.770 2.741 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(N)c2)c(OC)c1 ZINC000032119958 623911701 /nfs/dbraw/zinc/91/17/01/623911701.db2.gz VSSMWRNNCLPRJD-UHFFFAOYSA-N 0 0 272.348 2.922 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@]23CCO[C@@H]2CCCC3)c1 ZINC000827166902 623957647 /nfs/dbraw/zinc/95/76/47/623957647.db2.gz LBEGLGKJFPBXDN-NVXWUHKLSA-N 0 0 289.375 2.666 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1Cl ZINC000827279994 623980424 /nfs/dbraw/zinc/98/04/24/623980424.db2.gz COJSOLATAGPMKK-SWLSCSKDSA-N 0 0 281.783 2.822 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000827359333 623992796 /nfs/dbraw/zinc/99/27/96/623992796.db2.gz LYIWQWHBEHLPQN-JTQLQIEISA-N 0 0 287.762 2.683 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn(CC2CC2)nn1 ZINC000827377920 623995839 /nfs/dbraw/zinc/99/58/39/623995839.db2.gz HVSYRHJPFIWLDV-UHFFFAOYSA-N 0 0 298.390 2.650 20 10 CFCDRN CCC(F)(F)C(=O)NCCCSc1nccs1 ZINC000827474497 624011643 /nfs/dbraw/zinc/01/16/43/624011643.db2.gz AQHRSTUOSPXMST-UHFFFAOYSA-N 0 0 280.365 2.787 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000827507701 624020586 /nfs/dbraw/zinc/02/05/86/624020586.db2.gz ZAZVBGCACWZWRY-IUCAKERBSA-N 0 0 282.727 2.796 20 10 CFCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@]1(C)CO ZINC000827691846 624065525 /nfs/dbraw/zinc/06/55/25/624065525.db2.gz CIGACNZXRAYBHV-XPTSAGLGSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nccn1C ZINC000827722916 624076751 /nfs/dbraw/zinc/07/67/51/624076751.db2.gz ZIEPRBUKCRQLDW-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN CCSc1ccccc1C(=O)N1CCSCC1 ZINC000915737580 624102061 /nfs/dbraw/zinc/10/20/61/624102061.db2.gz PXGGNCSGNYDXOZ-UHFFFAOYSA-N 0 0 267.419 2.988 20 10 CFCDRN COc1cc(O)c(CN(C)c2cccc(O)c2)cc1OC ZINC000827903214 624124279 /nfs/dbraw/zinc/12/42/79/624124279.db2.gz FYLQQMRACCTRBC-UHFFFAOYSA-N 0 0 289.331 2.751 20 10 CFCDRN C[C@@H](NC(=O)CSC(F)(F)F)c1ccccc1O ZINC000827930728 624129934 /nfs/dbraw/zinc/12/99/34/624129934.db2.gz PGOPSRONDHZLON-SSDOTTSWSA-N 0 0 279.283 2.822 20 10 CFCDRN C[C@@H](NC(=O)C(C)(C)c1cccnc1)c1ccccc1O ZINC000827940805 624132637 /nfs/dbraw/zinc/13/26/37/624132637.db2.gz IRISDBBFQXJPJB-GFCCVEGCSA-N 0 0 284.359 2.942 20 10 CFCDRN C[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)c1ccccc1O ZINC000827941836 624133423 /nfs/dbraw/zinc/13/34/23/624133423.db2.gz YVDUDDOZOJXYLZ-ACJLOTCBSA-N 0 0 299.370 2.867 20 10 CFCDRN CS[C@H](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940889 624133437 /nfs/dbraw/zinc/13/34/37/624133437.db2.gz KAENTORZFYMOMG-NXEZZACHSA-N 0 0 253.367 2.711 20 10 CFCDRN C[C@@H](NC(=O)[C@H](O)C1CCCCC1)c1ccccc1O ZINC000827941673 624133836 /nfs/dbraw/zinc/13/38/36/624133836.db2.gz VREXVNRHGDNCCO-IAQYHMDHSA-N 0 0 277.364 2.511 20 10 CFCDRN Cc1c(C(=O)N[C@H](C)c2ccccc2O)ccn1C ZINC000827946221 624134962 /nfs/dbraw/zinc/13/49/62/624134962.db2.gz ARXBIFMQIFKCER-SNVBAGLBSA-N 0 0 258.321 2.530 20 10 CFCDRN CC[C@@H](C)[C@H](OC)C(=O)N[C@H](C)c1ccccc1O ZINC000827946984 624136304 /nfs/dbraw/zinc/13/63/04/624136304.db2.gz XGTFWUKFLUAKGW-GYSYKLTISA-N 0 0 265.353 2.631 20 10 CFCDRN CO[C@@H](CC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC000827952389 624137133 /nfs/dbraw/zinc/13/71/33/624137133.db2.gz 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ZINC000828313826 624227167 /nfs/dbraw/zinc/22/71/67/624227167.db2.gz YHWBLIRVVSLBMC-LBPRGKRZSA-N 0 0 299.422 2.609 20 10 CFCDRN CCc1cc(Sc2ncc(C(=O)OC)s2)nc(C)n1 ZINC000828428967 624244226 /nfs/dbraw/zinc/24/42/26/624244226.db2.gz PUDPQIPVLBYBQE-UHFFFAOYSA-N 0 0 295.389 2.742 20 10 CFCDRN Fc1cc(CNc2nccs2)ccc1N1CCOCC1 ZINC000917087156 624310681 /nfs/dbraw/zinc/31/06/81/624310681.db2.gz SQJQAWBXZQASTR-UHFFFAOYSA-N 0 0 293.367 2.731 20 10 CFCDRN COc1cccc([C@@H]2Nc3cccc(C)c3C(=O)N2)c1O ZINC000917420296 624341616 /nfs/dbraw/zinc/34/16/16/624341616.db2.gz KORBLZHVNGSGRT-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN O=C(NC1(C(F)(F)F)CCC1)C1=CC(=O)CS1 ZINC000829149640 624386422 /nfs/dbraw/zinc/38/64/22/624386422.db2.gz GMFYCMIAAFACQU-UHFFFAOYSA-N 0 0 265.256 2.669 20 10 CFCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1cnccn1 ZINC000918149920 624422276 /nfs/dbraw/zinc/42/22/76/624422276.db2.gz HSVKGXHYILSDNA-ALCCZGGFSA-N 0 0 279.343 2.778 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[C@H]2C)cc1 ZINC000918216654 624428073 /nfs/dbraw/zinc/42/80/73/624428073.db2.gz SKRQGUXHVMYAFV-HIFRSBDPSA-N 0 0 289.423 2.988 20 10 CFCDRN Oc1ccccc1CN(Cc1cc[nH]n1)Cc1ccco1 ZINC000154717420 624434570 /nfs/dbraw/zinc/43/45/70/624434570.db2.gz IQCANSZJEKERKP-UHFFFAOYSA-N 0 0 283.331 2.911 20 10 CFCDRN COc1cccc(C[C@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000829511353 624448975 /nfs/dbraw/zinc/44/89/75/624448975.db2.gz AQFXRTZESNSYIX-ZDUSSCGKSA-N 0 0 298.386 2.567 20 10 CFCDRN CCN1C(=O)C(=Cc2c[nH]nc2C(C)(C)C)SC1=S ZINC000918748876 624484981 /nfs/dbraw/zinc/48/49/81/624484981.db2.gz BMOVGLANAIXWEP-TWGQIWQCSA-N 0 0 295.433 2.928 20 10 CFCDRN COC(=O)c1cnc(SCCc2cscn2)s1 ZINC000829677924 624506223 /nfs/dbraw/zinc/50/62/23/624506223.db2.gz RLXVHOSTWQJXHG-UHFFFAOYSA-N 0 0 286.403 2.721 20 10 CFCDRN CCSCCSc1ncc(C(=O)OC)s1 ZINC000829680746 624506251 /nfs/dbraw/zinc/50/62/51/624506251.db2.gz DMSCUMULTGBKNY-UHFFFAOYSA-N 0 0 263.409 2.775 20 10 CFCDRN CCCc1noc(CSc2ncc(C(=O)OC)s2)n1 ZINC000829688655 624507365 /nfs/dbraw/zinc/50/73/65/624507365.db2.gz YPHVYTMVFFHUPV-UHFFFAOYSA-N 0 0 299.377 2.558 20 10 CFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)[C@@H]1CCCO1 ZINC000830140399 624640625 /nfs/dbraw/zinc/64/06/25/624640625.db2.gz CBFRJZCCXZVLJB-DOMZBBRYSA-N 0 0 277.364 2.556 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000830141506 624640658 /nfs/dbraw/zinc/64/06/58/624640658.db2.gz VOKLABJZJSVYLL-HIFRSBDPSA-N 0 0 291.391 2.946 20 10 CFCDRN CO[C@@H](C(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000830141375 624640676 /nfs/dbraw/zinc/64/06/76/624640676.db2.gz RPFGVZDACORKDI-OAHLLOKOSA-N 0 0 277.364 2.556 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1CC2(CC2(F)F)C1 ZINC000830140957 624640858 /nfs/dbraw/zinc/64/08/58/624640858.db2.gz KWZARPLORTZIJX-UHFFFAOYSA-N 0 0 281.302 2.786 20 10 CFCDRN CO[C@H](C(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000830141743 624641866 /nfs/dbraw/zinc/64/18/66/624641866.db2.gz XPYWDFPSOSJSSN-INIZCTEOSA-N 0 0 291.391 2.946 20 10 CFCDRN CC1(CCC(=O)NCc2c(O)cccc2F)CC1 ZINC000830180841 624659002 /nfs/dbraw/zinc/65/90/02/624659002.db2.gz SUZJLXDMUHIUOK-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN O=C1N[C@@H](c2cccc(O)c2O)Nc2ccc(Cl)cc21 ZINC000920407243 624719355 /nfs/dbraw/zinc/71/93/55/624719355.db2.gz DRSGCLZFHVZXFZ-ZDUSSCGKSA-N 0 0 290.706 2.605 20 10 CFCDRN Cc1csc([C@@H](C)C(=O)NCc2ccccc2O)n1 ZINC000830526518 624772701 /nfs/dbraw/zinc/77/27/01/624772701.db2.gz MRUBCRCHIZGWQW-JTQLQIEISA-N 0 0 276.361 2.577 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC3(CC3)C2)c1O ZINC000830540092 624775824 /nfs/dbraw/zinc/77/58/24/624775824.db2.gz DUZMQTVBOLFLGX-LBPRGKRZSA-N 0 0 289.375 2.987 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Cc2cc(C)cc(C)c2)c1 ZINC000830544959 624776569 /nfs/dbraw/zinc/77/65/69/624776569.db2.gz UVMJHFASXXECCU-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccoc2)c1 ZINC000175543092 624956017 /nfs/dbraw/zinc/95/60/17/624956017.db2.gz DYIJQZJCZQHIMS-NSHDSACASA-N 0 0 289.331 2.804 20 10 CFCDRN CC(C)(CNC(=O)Cc1ccc(N)cc1)[C@@H]1CCCCO1 ZINC000831249042 624977474 /nfs/dbraw/zinc/97/74/74/624977474.db2.gz RUNFNTOTWKPNCV-HNNXBMFYSA-N 0 0 290.407 2.523 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccoc2)c1 ZINC000170878975 625004744 /nfs/dbraw/zinc/00/47/44/625004744.db2.gz IHQNCRMZHRKWRW-JTQLQIEISA-N 0 0 290.319 2.554 20 10 CFCDRN CC(C)[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181112845 625067631 /nfs/dbraw/zinc/06/76/31/625067631.db2.gz UNNPYRSOFXUYFJ-OKPNEXGHSA-N 0 0 263.337 2.519 20 10 CFCDRN C[C@H]1CC[C@]2(CCN(C(=O)Cc3ccc(N)cc3)C2)C1 ZINC000832144932 625230516 /nfs/dbraw/zinc/23/05/16/625230516.db2.gz KYJMHBUZHZGGNJ-GUYCJALGSA-N 0 0 272.392 2.850 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2COCC2(C)C)c1[O-] ZINC000832165108 625235225 /nfs/dbraw/zinc/23/52/25/625235225.db2.gz LCZRITKUOJAEOD-CYBMUJFWSA-N 0 0 297.782 2.763 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccncn1 ZINC000182038093 625249717 /nfs/dbraw/zinc/24/97/17/625249717.db2.gz FIAAATKNDFEEKN-BQYQJAHWSA-N 0 0 297.358 2.634 20 10 CFCDRN C[C@H]1CCN(c2cc(C(=O)Nc3ccc(N)cc3)ccn2)C1 ZINC000832244760 625251687 /nfs/dbraw/zinc/25/16/87/625251687.db2.gz UOTIAIFYMVCFJY-LBPRGKRZSA-N 0 0 296.374 2.762 20 10 CFCDRN COc1ccc(O)c(CN2CCOc3ccccc32)c1 ZINC000182120664 625259433 /nfs/dbraw/zinc/25/94/33/625259433.db2.gz ZJPAEWXOUXIRID-UHFFFAOYSA-N 0 0 271.316 2.800 20 10 CFCDRN COc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000182149483 625260890 /nfs/dbraw/zinc/26/08/90/625260890.db2.gz HZGWOPDDCRTXOA-UHFFFAOYSA-N 0 0 287.315 2.976 20 10 CFCDRN CC(C)COc1ccccc1NC[C@@H](O)COC(C)C ZINC000186063171 625827730 /nfs/dbraw/zinc/82/77/30/625827730.db2.gz LHMPBMIFYUCGRY-CQSZACIVSA-N 0 0 281.396 2.919 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](C)CCO)c1ccc(F)cc1[O-] ZINC000834832594 625890330 /nfs/dbraw/zinc/89/03/30/625890330.db2.gz QQKNRYLRVYKCHJ-RISCZKNCSA-N 0 0 269.360 2.981 20 10 CFCDRN CCOC(=O)[C@@H](NCc1cc(F)ccc1O)C(C)(C)C ZINC000768524720 625895573 /nfs/dbraw/zinc/89/55/73/625895573.db2.gz POAIISZMGSBEIL-CYBMUJFWSA-N 0 0 283.343 2.599 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc(Cl)c1[O-] ZINC000834901676 625915515 /nfs/dbraw/zinc/91/55/15/625915515.db2.gz XVDLQFFDCIEHKU-CABZTGNLSA-N 0 0 284.787 2.611 20 10 CFCDRN CCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])COC1 ZINC000834900687 625915930 /nfs/dbraw/zinc/91/59/30/625915930.db2.gz RTCGWXBAEMQHSE-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(F)cc1[O-] ZINC000834906435 625918898 /nfs/dbraw/zinc/91/88/98/625918898.db2.gz ZNXWCOMHCYWERV-GXTWGEPZSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cnc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000834908985 625920226 /nfs/dbraw/zinc/92/02/26/625920226.db2.gz NZCVKTPWASOATK-LLVKDONJSA-N 0 0 275.327 2.523 20 10 CFCDRN Cc1cccc(CNc2cnn(C)c2C2CC2)c1O ZINC000770665226 625947334 /nfs/dbraw/zinc/94/73/34/625947334.db2.gz PDAYUKCPAPRCKE-UHFFFAOYSA-N 0 0 257.337 2.924 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(Br)ccc1O ZINC000817960758 625964209 /nfs/dbraw/zinc/96/42/09/625964209.db2.gz RDDCOCCCHGPLLB-PELKAZGASA-N 0 0 299.212 2.543 20 10 CFCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000851643037 634470036 /nfs/dbraw/zinc/47/00/36/634470036.db2.gz IWTWQWQNSUBAAA-YVEFUNNKSA-N 0 0 280.371 2.656 20 10 CFCDRN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1ccccc1O ZINC000186189168 626011918 /nfs/dbraw/zinc/01/19/18/626011918.db2.gz CUJHOACGYZHJQP-ZFWWWQNUSA-N 0 0 251.370 2.840 20 10 CFCDRN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000227685749 626012246 /nfs/dbraw/zinc/01/22/46/626012246.db2.gz YGWQRTSFWBYXOT-NEPJUHHUSA-N 0 0 294.395 2.956 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC000085203944 626039972 /nfs/dbraw/zinc/03/99/72/626039972.db2.gz LSYIQOQRZBJHBB-UHFFFAOYSA-N 0 0 287.337 2.702 20 10 CFCDRN CC[C@@H](C)N(CC)C(=O)NCCc1ccc(N)cc1 ZINC000851663186 634473916 /nfs/dbraw/zinc/47/39/16/634473916.db2.gz VLROIQXSFJPAFZ-GFCCVEGCSA-N 0 0 263.385 2.641 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000851662915 634474346 /nfs/dbraw/zinc/47/43/46/634474346.db2.gz NPSMQRKYAXGKHD-AWEZNQCLSA-N 0 0 293.386 2.593 20 10 CFCDRN CC[C@@H](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000851662969 634474587 /nfs/dbraw/zinc/47/45/87/634474587.db2.gz PDKOQXYDOXYGQM-GFCCVEGCSA-N 0 0 263.385 2.547 20 10 CFCDRN Cc1nc2n(n1)CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921821095 626146913 /nfs/dbraw/zinc/14/69/13/626146913.db2.gz NGQLSZDLESLQLD-OAHLLOKOSA-N 0 0 298.390 2.536 20 10 CFCDRN C[C@H](CC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000773397398 626154820 /nfs/dbraw/zinc/15/48/20/626154820.db2.gz KXNLVRHIECCUIN-LLVKDONJSA-N 0 0 279.380 2.829 20 10 CFCDRN CCOc1ccc(CN[C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000922579299 626315453 /nfs/dbraw/zinc/31/54/53/626315453.db2.gz HMYUSIOQJCRDDL-INIZCTEOSA-N 0 0 299.374 2.822 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccncc1Cl ZINC000073847841 626397114 /nfs/dbraw/zinc/39/71/14/626397114.db2.gz UEZBLEWHZPDTFI-UHFFFAOYSA-N 0 0 276.723 2.713 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C(C)C)c1 ZINC000172161281 626414599 /nfs/dbraw/zinc/41/45/99/626414599.db2.gz WZAGSOQGLKQPPM-MNOVXSKESA-N 0 0 265.353 2.870 20 10 CFCDRN CCCN(C[C@@H]1CCCCO1)C(=O)c1cccc(O)c1O ZINC000187078222 626449031 /nfs/dbraw/zinc/44/90/31/626449031.db2.gz DRDDMMJNIVZCIM-LBPRGKRZSA-N 0 0 293.363 2.519 20 10 CFCDRN CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(O)c1O ZINC000187078243 626449126 /nfs/dbraw/zinc/44/91/26/626449126.db2.gz DRDDMMJNIVZCIM-GFCCVEGCSA-N 0 0 293.363 2.519 20 10 CFCDRN CN(Cc1cc(C(F)(F)F)nn1C)c1ccc(N)cc1 ZINC000923400270 626470755 /nfs/dbraw/zinc/47/07/55/626470755.db2.gz LJXADSFVLMDESA-UHFFFAOYSA-N 0 0 284.285 2.658 20 10 CFCDRN C[C@@H](CO)CN1CCCc2cc(OC(F)F)ccc21 ZINC000121331849 626491845 /nfs/dbraw/zinc/49/18/45/626491845.db2.gz XIBCNGBPHQSTJP-SNVBAGLBSA-N 0 0 271.307 2.669 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]1C1CC1 ZINC000838477234 626499130 /nfs/dbraw/zinc/49/91/30/626499130.db2.gz FNQKMUKSJUYYMX-INIZCTEOSA-N 0 0 287.407 2.755 20 10 CFCDRN CC(C)[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000838764654 626504923 /nfs/dbraw/zinc/50/49/23/626504923.db2.gz OSYNWIRCENKENM-GDBMZVCRSA-N 0 0 276.380 2.968 20 10 CFCDRN COc1ccc(N(C)Cc2ccncc2F)c(OC)c1 ZINC000838900243 626514870 /nfs/dbraw/zinc/51/48/70/626514870.db2.gz DDBYJRIXDIMQFN-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CCCCOC(=O)[C@H](C)N(C)c1ccc2c(c1)OCO2 ZINC000121353205 626517231 /nfs/dbraw/zinc/51/72/31/626517231.db2.gz RNKAUXDIRLHZKM-NSHDSACASA-N 0 0 279.336 2.583 20 10 CFCDRN CN(Cc1cnc(C2CC2)nc1)c1ccc2c(c1)OCO2 ZINC000839006107 626519895 /nfs/dbraw/zinc/51/98/95/626519895.db2.gz ZDNXWXUNXFBHIS-UHFFFAOYSA-N 0 0 283.331 2.719 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccn(C)n1 ZINC000840817843 626522613 /nfs/dbraw/zinc/52/26/13/626522613.db2.gz VOXYXEMVTNGBQD-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CC(OCC(F)F)C2)cc1 ZINC000839137183 626528176 /nfs/dbraw/zinc/52/81/76/626528176.db2.gz BNLVULCHDJRUQH-ARJAWSKDSA-N 0 0 296.361 2.732 20 10 CFCDRN CC(C)(C)c1nnc(CNCc2cc(Cl)ccc2O)[nH]1 ZINC000839168207 626529039 /nfs/dbraw/zinc/52/90/39/626529039.db2.gz CBOPHTYYECKIAH-UHFFFAOYSA-N 0 0 294.786 2.751 20 10 CFCDRN CC(C)(C)c1nnc(C[NH2+]Cc2cccc(Cl)c2[O-])[nH]1 ZINC000839169821 626529452 /nfs/dbraw/zinc/52/94/52/626529452.db2.gz JKQUKJIIJWFWSA-UHFFFAOYSA-N 0 0 294.786 2.751 20 10 CFCDRN C[C@H](NC(=O)OC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000805066931 626541862 /nfs/dbraw/zinc/54/18/62/626541862.db2.gz DNUWKCREFJFABW-WFASDCNBSA-N 0 0 292.379 2.719 20 10 CFCDRN CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)O1 ZINC000756941985 626542493 /nfs/dbraw/zinc/54/24/93/626542493.db2.gz UDBDUKMESSSAFV-HOTGVXAUSA-N 0 0 290.407 2.635 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000756985742 626543079 /nfs/dbraw/zinc/54/30/79/626543079.db2.gz IBFZOAJSQSWRPL-YPMHNXCESA-N 0 0 262.353 2.770 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1ccon1)CCC2 ZINC000839656853 626549880 /nfs/dbraw/zinc/54/98/80/626549880.db2.gz UWFBTMANHOLYMR-UHFFFAOYSA-N 0 0 274.320 2.645 20 10 CFCDRN CN(C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000757718478 626560526 /nfs/dbraw/zinc/56/05/26/626560526.db2.gz SRKLOANMHWAYIV-UHFFFAOYSA-N 0 0 288.322 2.909 20 10 CFCDRN CCC[C@@H](C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757743752 626561663 /nfs/dbraw/zinc/56/16/63/626561663.db2.gz GSKSRIUWPNIHQF-CYBMUJFWSA-N 0 0 298.452 2.703 20 10 CFCDRN COC(=O)/C(C)=C/CN(C)c1ccc(OC)c(Cl)c1 ZINC000757855508 626565564 /nfs/dbraw/zinc/56/55/64/626565564.db2.gz DKGMIVYOCZJTFS-JXMROGBWSA-N 0 0 283.755 2.904 20 10 CFCDRN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000757921688 626568143 /nfs/dbraw/zinc/56/81/43/626568143.db2.gz ZTQXUQFUENPNDT-AWEZNQCLSA-N 0 0 285.771 2.867 20 10 CFCDRN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000757921692 626568266 /nfs/dbraw/zinc/56/82/66/626568266.db2.gz ZTQXUQFUENPNDT-CQSZACIVSA-N 0 0 285.771 2.867 20 10 CFCDRN Cc1cnc(NCc2c(O)ccc3c2CCCC3)nc1 ZINC000758162576 626579471 /nfs/dbraw/zinc/57/94/71/626579471.db2.gz DWQKPDBDMXIITC-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000758446627 626594081 /nfs/dbraw/zinc/59/40/81/626594081.db2.gz CDNXMZBWKOWMCZ-UHFFFAOYSA-N 0 0 299.374 2.936 20 10 CFCDRN CC(C)(C)OCCCCOC(=O)c1cccc(O)c1O ZINC000758563510 626598751 /nfs/dbraw/zinc/59/87/51/626598751.db2.gz VXWNUUXMFZZRGG-UHFFFAOYSA-N 0 0 282.336 2.850 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccs1 ZINC000759588117 626673800 /nfs/dbraw/zinc/67/38/00/626673800.db2.gz IIMNBXFKABQCKR-GQCTYLIASA-N 0 0 290.340 2.958 20 10 CFCDRN CC1(CNC(=O)NCCCSc2nccs2)CC1 ZINC000759585827 626673816 /nfs/dbraw/zinc/67/38/16/626673816.db2.gz UYVWUMZROFTIDE-UHFFFAOYSA-N 0 0 285.438 2.725 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1CCCC1 ZINC000759596041 626674408 /nfs/dbraw/zinc/67/44/08/626674408.db2.gz UEKGUIMPQOBRLZ-SOFGYWHQSA-N 0 0 262.305 2.844 20 10 CFCDRN C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759601955 626674881 /nfs/dbraw/zinc/67/48/81/626674881.db2.gz RDEYQRLSFYWSQR-SNVBAGLBSA-N 0 0 285.438 2.677 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC12CCCC2 ZINC000760581199 626757113 /nfs/dbraw/zinc/75/71/13/626757113.db2.gz GKGVGJOVPAUFPL-KXQLTZBTSA-N 0 0 273.332 2.560 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1nc2ccc(F)cc2s1 ZINC000761375982 626829562 /nfs/dbraw/zinc/82/95/62/626829562.db2.gz LNRNBHWOQVANKL-YWEYNIOJSA-N 0 0 296.373 2.924 20 10 CFCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccno2)c1 ZINC000761500234 626841161 /nfs/dbraw/zinc/84/11/61/626841161.db2.gz UFFODDCWAJEXBA-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](c2cccs2)C1 ZINC000761601925 626849086 /nfs/dbraw/zinc/84/90/86/626849086.db2.gz HNVIPLQJXQXQQJ-SNVBAGLBSA-N 0 0 295.385 2.729 20 10 CFCDRN O=C(NCC1(C2CCC2)CCC1)c1c(F)ccc(O)c1O ZINC000839793699 626873376 /nfs/dbraw/zinc/87/33/76/626873376.db2.gz XDDQMLBTKPHYDN-UHFFFAOYSA-N 0 0 293.338 2.937 20 10 CFCDRN CCC(CC)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762260905 626908315 /nfs/dbraw/zinc/90/83/15/626908315.db2.gz CBDDMLKQZGSIAZ-LLVKDONJSA-N 0 0 279.380 2.829 20 10 CFCDRN O=C(N[C@@H]1COc2ccc(Cl)cc21)C1=CC(=O)CS1 ZINC000762579530 626924811 /nfs/dbraw/zinc/92/48/11/626924811.db2.gz SENQCXMQAGLMQK-SNVBAGLBSA-N 0 0 295.747 2.971 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000762649131 626928542 /nfs/dbraw/zinc/92/85/42/626928542.db2.gz MEEQUWNXLYPKTL-MWODSPESSA-N 0 0 271.307 2.746 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(CO)CCCCC1 ZINC000762784248 626937080 /nfs/dbraw/zinc/93/70/80/626937080.db2.gz BRQDRTKEILKITP-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN COc1cccc(CNC(=O)C=C2CCCC2)c1O ZINC000762801648 626939075 /nfs/dbraw/zinc/93/90/75/626939075.db2.gz AUYUBEUMVXRAQP-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN CCOc1ccc(N(C)CC(OCC)OCC)cc1 ZINC000763157971 626967386 /nfs/dbraw/zinc/96/73/86/626967386.db2.gz BOEISWOIBUDHPX-UHFFFAOYSA-N 0 0 267.369 2.921 20 10 CFCDRN C/C=C\C[C@H](NCc1ccc(OC)c(C)c1)C(=O)OCC ZINC000763362636 626982980 /nfs/dbraw/zinc/98/29/80/626982980.db2.gz CGZDPZRCBVIJPA-PKYBCLHXSA-N 0 0 291.391 2.991 20 10 CFCDRN CCn1c(C)nnc1Sc1ncc(Cl)s1 ZINC000765019973 627113473 /nfs/dbraw/zinc/11/34/73/627113473.db2.gz NMDCJJVOSHCURZ-UHFFFAOYSA-N 0 0 260.775 2.868 20 10 CFCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCC(=O)O2)cc1 ZINC000851829311 634549695 /nfs/dbraw/zinc/54/96/95/634549695.db2.gz HOMOCDZSGBMULM-HNNXBMFYSA-N 0 0 277.364 2.863 20 10 CFCDRN O=C(NCc1cccc(Br)c1O)C1=CCCC1 ZINC000765727586 627155432 /nfs/dbraw/zinc/15/54/32/627155432.db2.gz CZUSYZLELIYXNB-UHFFFAOYSA-N 0 0 296.164 2.881 20 10 CFCDRN CC[C@H](C)NC(=O)CN1CCCCc2cc(OC)ccc21 ZINC000766270108 627189238 /nfs/dbraw/zinc/18/92/38/627189238.db2.gz PYUIGLCNPGLVAF-ZDUSSCGKSA-N 0 0 290.407 2.753 20 10 CFCDRN COc1ccc(CNC(=S)Nc2ccccc2F)nc1 ZINC000766513074 627206776 /nfs/dbraw/zinc/20/67/76/627206776.db2.gz XGGGBSNTTMPTHJ-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN COc1ccc(CNC(=S)Nc2cccc(C)c2)nc1 ZINC000766519513 627207552 /nfs/dbraw/zinc/20/75/52/627207552.db2.gz YKNFARIOYROALT-UHFFFAOYSA-N 0 0 287.388 2.885 20 10 CFCDRN CCOC(CN(C)c1ccc(OC)c(OC)c1)OCC ZINC000767777002 627284543 /nfs/dbraw/zinc/28/45/43/627284543.db2.gz WSXXEGWTTBDUNV-UHFFFAOYSA-N 0 0 283.368 2.539 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccnn1C1CCCC1 ZINC000767880524 627291013 /nfs/dbraw/zinc/29/10/13/627291013.db2.gz GFFCTKSZIJKLBL-UHFFFAOYSA-N 0 0 299.374 2.976 20 10 CFCDRN O=C(N[C@H]1CCCC(F)(F)C1)C1=CC(=O)CS1 ZINC000768386083 627339662 /nfs/dbraw/zinc/33/96/62/627339662.db2.gz LROYGWUHTYBYTK-ZETCQYMHSA-N 0 0 261.293 2.761 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C/c2cnn(C)c2)c2c(O)cccc21 ZINC000768664222 627362367 /nfs/dbraw/zinc/36/23/67/627362367.db2.gz NWTDGNCQSTUKGK-SYTKJHMZSA-N 0 0 297.358 2.679 20 10 CFCDRN CCN(CC)c1ccc(CN(CC(=O)OC)C(C)C)cc1 ZINC000768682614 627363889 /nfs/dbraw/zinc/36/38/89/627363889.db2.gz DGFDEXPCNZEHHO-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCc2ccccc21 ZINC000768915028 627386189 /nfs/dbraw/zinc/38/61/89/627386189.db2.gz RRNKULBPURLRBL-HNNXBMFYSA-N 0 0 297.354 2.834 20 10 CFCDRN C[C@@H](CCC1CC1)NC(=O)NCc1ccccc1O ZINC000768970867 627391818 /nfs/dbraw/zinc/39/18/18/627391818.db2.gz VJVNYFHBBHGVRR-NSHDSACASA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1cc(O)c(CN(C)Cc2nnc3ccccn32)cc1C ZINC000769202382 627411905 /nfs/dbraw/zinc/41/19/05/627411905.db2.gz IZIFVXIBFDESQH-UHFFFAOYSA-N 0 0 296.374 2.684 20 10 CFCDRN O=C(CCOc1ccc(F)cc1)NCc1ccccc1O ZINC000769355532 627428629 /nfs/dbraw/zinc/42/86/29/627428629.db2.gz BMHGPQGCXHBKSO-UHFFFAOYSA-N 0 0 289.306 2.617 20 10 CFCDRN COc1cccc(O)c1CN1CCO[C@H](c2ccco2)C1 ZINC000769544487 627454330 /nfs/dbraw/zinc/45/43/30/627454330.db2.gz XJYLCAPBJDOPTN-INIZCTEOSA-N 0 0 289.331 2.567 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2nc(C)oc2C)c1 ZINC000851899702 634578741 /nfs/dbraw/zinc/57/87/41/634578741.db2.gz CTVUICYDFDLBPA-VIFPVBQESA-N 0 0 276.336 2.856 20 10 CFCDRN CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC000771417150 627603070 /nfs/dbraw/zinc/60/30/70/627603070.db2.gz LFQQFPVQDFITBF-MRXNPFEDSA-N 0 0 291.391 2.558 20 10 CFCDRN COCc1nnc(N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000772294560 627698552 /nfs/dbraw/zinc/69/85/52/627698552.db2.gz AHBJYVGAOGRBHJ-SNVBAGLBSA-N 0 0 292.408 2.924 20 10 CFCDRN COCc1nnc(N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000772294559 627698743 /nfs/dbraw/zinc/69/87/43/627698743.db2.gz AHBJYVGAOGRBHJ-JTQLQIEISA-N 0 0 292.408 2.924 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc(F)c1 ZINC000772776759 627743842 /nfs/dbraw/zinc/74/38/42/627743842.db2.gz RPKFYXOUPJAAMQ-ALCCZGGFSA-N 0 0 288.274 2.994 20 10 CFCDRN CS/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772996249 627766416 /nfs/dbraw/zinc/76/64/16/627766416.db2.gz CQBLFPPCBGUOBJ-USKTWTLRSA-N 0 0 264.394 2.807 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000773001343 627766892 /nfs/dbraw/zinc/76/68/92/627766892.db2.gz SQYZIDBTFZWEHV-BXUZGUMPSA-N 0 0 260.381 2.976 20 10 CFCDRN C[C@H](NC(=O)C(C)(C)F)c1ccc(N(C)C)cc1 ZINC000772998863 627766921 /nfs/dbraw/zinc/76/69/21/627766921.db2.gz KUNXQJHMQCVIMR-JTQLQIEISA-N 0 0 252.333 2.678 20 10 CFCDRN C[C@@H](NC(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773008566 627767610 /nfs/dbraw/zinc/76/76/10/627767610.db2.gz GDZIAZVXQNUPOE-SECBINFHSA-N 0 0 274.286 2.882 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000773015496 627768881 /nfs/dbraw/zinc/76/88/81/627768881.db2.gz PDFYQFSZYVXEJJ-RYUDHWBXSA-N 0 0 260.381 2.976 20 10 CFCDRN Cc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000773014977 627768990 /nfs/dbraw/zinc/76/89/90/627768990.db2.gz LWIXZFQYVUMCPW-NSHDSACASA-N 0 0 298.390 2.650 20 10 CFCDRN C[C@H](NC(=O)/C=C\C1CC1)c1ccc(N(C)C)cc1 ZINC000773019033 627769593 /nfs/dbraw/zinc/76/95/93/627769593.db2.gz OAFXABXMUREOCS-DSDFTUOUSA-N 0 0 258.365 2.896 20 10 CFCDRN C[C@H](NC(=O)c1ccccc1O)c1ccc(N(C)C)cc1 ZINC000773020106 627769647 /nfs/dbraw/zinc/76/96/47/627769647.db2.gz NUNNLWWCBOAABI-LBPRGKRZSA-N 0 0 284.359 2.949 20 10 CFCDRN C[C@@H](NC(=O)COC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773019015 627769686 /nfs/dbraw/zinc/76/96/86/627769686.db2.gz NXBFWDVRAMBBQA-CYBMUJFWSA-N 0 0 290.407 2.889 20 10 CFCDRN C[C@H](NC(=O)c1ccn(C)c1)c1ccc(N(C)C)cc1 ZINC000773018038 627769908 /nfs/dbraw/zinc/76/99/08/627769908.db2.gz GNAVDSPSGCVKBN-LBPRGKRZSA-N 0 0 271.364 2.582 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000773027389 627771164 /nfs/dbraw/zinc/77/11/64/627771164.db2.gz VNUBZOOQKINOQR-CYBMUJFWSA-N 0 0 283.375 2.947 20 10 CFCDRN C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000773028191 627771245 /nfs/dbraw/zinc/77/12/45/627771245.db2.gz YLHBUNOOECNRKD-CJNGLKHVSA-N 0 0 290.407 2.889 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(N(C)C)cc1 ZINC000773028411 627771830 /nfs/dbraw/zinc/77/18/30/627771830.db2.gz ZNJCWDCNSZISHF-RISCZKNCSA-N 0 0 278.421 2.825 20 10 CFCDRN CCCCCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773084852 627781445 /nfs/dbraw/zinc/78/14/45/627781445.db2.gz TUNUOGKXWVZWHV-CYBMUJFWSA-N 0 0 298.452 2.923 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000773242856 627797699 /nfs/dbraw/zinc/79/76/99/627797699.db2.gz BOYYJTVGGZSKQL-GFCCVEGCSA-N 0 0 287.363 2.906 20 10 CFCDRN C[C@H](NC(=O)NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000773242857 627798084 /nfs/dbraw/zinc/79/80/84/627798084.db2.gz BOYYJTVGGZSKQL-LBPRGKRZSA-N 0 0 287.363 2.906 20 10 CFCDRN Cc1cc(S(=O)(=O)NCc2ccccc2O)sc1C ZINC000773303487 627804558 /nfs/dbraw/zinc/80/45/58/627804558.db2.gz XCSQRKHQPIDQNL-UHFFFAOYSA-N 0 0 297.401 2.549 20 10 CFCDRN CC[C@@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773315793 627805066 /nfs/dbraw/zinc/80/50/66/627805066.db2.gz LENPMYKRBSRGHH-JSGCOSHPSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@@H](NC(=O)NCC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000773347755 627808177 /nfs/dbraw/zinc/80/81/77/627808177.db2.gz DAJIAXRSFRLJJR-GFCCVEGCSA-N 0 0 275.396 2.913 20 10 CFCDRN CS[C@@H](C)CCC(=O)NCc1ccccc1O ZINC000773466097 627823549 /nfs/dbraw/zinc/82/35/49/627823549.db2.gz BHYITJXWANEHPA-JTQLQIEISA-N 0 0 253.367 2.540 20 10 CFCDRN CS[C@@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773743710 627853780 /nfs/dbraw/zinc/85/37/80/627853780.db2.gz IECNUGCIVHIXAT-MNOVXSKESA-N 0 0 297.420 2.677 20 10 CFCDRN CCc1cnccc1[C@H](C)NC(=O)NCc1ccccc1O ZINC000773755101 627855473 /nfs/dbraw/zinc/85/54/73/627855473.db2.gz CXPNZGOZGKHJFJ-LBPRGKRZSA-N 0 0 299.374 2.910 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CCCC1 ZINC000773767069 627857054 /nfs/dbraw/zinc/85/70/54/627857054.db2.gz JAVQUFQIXDWHDM-NWDGAFQWSA-N 0 0 291.391 2.971 20 10 CFCDRN CO/C(=C/c1ccccc1)C(=O)NCc1ccccc1O ZINC000774067076 627884141 /nfs/dbraw/zinc/88/41/41/627884141.db2.gz XFRDZICHRZTMST-LFIBNONCSA-N 0 0 283.327 2.696 20 10 CFCDRN CC[C@@H](CSC)N(C)C(=O)C1=CC(=O)CS1 ZINC000774404846 627921679 /nfs/dbraw/zinc/92/16/79/627921679.db2.gz UPEBNFNRVGRFKG-QMMMGPOBSA-N 0 0 259.396 2.667 20 10 CFCDRN CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774835161 627969468 /nfs/dbraw/zinc/96/94/68/627969468.db2.gz YSVJPWXMLCXBBR-SECBINFHSA-N 0 0 268.313 2.539 20 10 CFCDRN COc1c([O-])c(C[N@H+](CC2CC2)C(C)C)ccc1[N+](=O)[O-] ZINC000774837984 627969761 /nfs/dbraw/zinc/96/97/61/627969761.db2.gz GOTPKYYNXVRPOM-UHFFFAOYSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c(O)c(CNc2cc(C)ccn2)ccc1[N+](=O)[O-] ZINC000774979575 627983279 /nfs/dbraw/zinc/98/32/79/627983279.db2.gz ZSOVXFIGRIRZPE-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN Cc1ccc(-c2cc(NC(=O)C3=CC(=O)CS3)[nH]n2)o1 ZINC000775005848 627984663 /nfs/dbraw/zinc/98/46/63/627984663.db2.gz XILCCGORYVRBLV-UHFFFAOYSA-N 0 0 289.316 2.998 20 10 CFCDRN C[C@@H](NC(=O)C(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC000775409301 628022195 /nfs/dbraw/zinc/02/21/95/628022195.db2.gz DOLBAJUQPCMGGQ-MRVPVSSYSA-N 0 0 292.276 2.830 20 10 CFCDRN C[C@H](NC(=O)c1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000775409791 628022556 /nfs/dbraw/zinc/02/25/56/628022556.db2.gz GYUKPFPEJVQHPE-NSHDSACASA-N 0 0 287.338 2.778 20 10 CFCDRN CCOc1nccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000775483785 628030247 /nfs/dbraw/zinc/03/02/47/628030247.db2.gz AYGBHEAZFMQBFQ-UHFFFAOYSA-N 0 0 290.342 2.693 20 10 CFCDRN CC[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775686532 628055958 /nfs/dbraw/zinc/05/59/58/628055958.db2.gz JBOSFTDGSPRBTO-JTQLQIEISA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCCO)C1CC1 ZINC000775700608 628056387 /nfs/dbraw/zinc/05/63/87/628056387.db2.gz GCEIQRXKCODLIS-UHFFFAOYSA-N 0 0 273.735 2.532 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCC[C@@H]1O ZINC000775735873 628060475 /nfs/dbraw/zinc/06/04/75/628060475.db2.gz DQLDYFMAACAHQZ-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccc(C)c1 ZINC000775783072 628067313 /nfs/dbraw/zinc/06/73/13/628067313.db2.gz MXVNWLUWDFYULA-HJWRWDBZSA-N 0 0 297.358 2.860 20 10 CFCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(C)cc2C)cn1 ZINC000775805988 628070725 /nfs/dbraw/zinc/07/07/25/628070725.db2.gz GELYOEXCUYEVLL-SOFGYWHQSA-N 0 0 297.358 2.778 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(CCO)C2)cc1 ZINC000775822491 628072035 /nfs/dbraw/zinc/07/20/35/628072035.db2.gz OEMRUNTXRLKANV-UHFFFAOYSA-N 0 0 298.386 2.549 20 10 CFCDRN Cc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775833255 628074147 /nfs/dbraw/zinc/07/41/47/628074147.db2.gz AGOCNLOYCGDWOL-ZDUSSCGKSA-N 0 0 270.380 2.702 20 10 CFCDRN CCC(CC)(CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776175814 628111963 /nfs/dbraw/zinc/11/19/63/628111963.db2.gz SUSYXIPSELDRSK-UHFFFAOYSA-N 0 0 275.751 2.825 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000776215363 628118174 /nfs/dbraw/zinc/11/81/74/628118174.db2.gz AKRZEPPCXMWIPP-LBPRGKRZSA-N 0 0 299.729 2.909 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000776240949 628121058 /nfs/dbraw/zinc/12/10/58/628121058.db2.gz YVBWXHMJNCPQOZ-STQMWFEESA-N 0 0 275.396 2.865 20 10 CFCDRN Cc1cccc(CNc2ccc(N(C)C)cn2)c1O ZINC000776250227 628121671 /nfs/dbraw/zinc/12/16/71/628121671.db2.gz FDTFBHVIHKPTJL-UHFFFAOYSA-N 0 0 257.337 2.774 20 10 CFCDRN C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776248244 628122110 /nfs/dbraw/zinc/12/21/10/628122110.db2.gz LHFFWTDOQGVISM-GHMZBOCLSA-N 0 0 269.772 2.950 20 10 CFCDRN O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(O)c1O ZINC000776327387 628131887 /nfs/dbraw/zinc/13/18/87/628131887.db2.gz KHFJUOYPPMOKBY-ZDUSSCGKSA-N 0 0 297.354 2.948 20 10 CFCDRN Cc1cc(C)c(CCNC(=O)c2cccc(O)c2O)c(C)c1 ZINC000776676774 628167053 /nfs/dbraw/zinc/16/70/53/628167053.db2.gz PSCLVNVWVWVMKW-UHFFFAOYSA-N 0 0 299.370 2.996 20 10 CFCDRN Cc1cccc(NCC[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000777483009 628229667 /nfs/dbraw/zinc/22/96/67/628229667.db2.gz BCNBRISWIKWGGG-UHFFFAOYSA-N 0 0 291.782 2.951 20 10 CFCDRN CCc1nnc(NCc2ccc(N(C)C)c(F)c2)s1 ZINC000777505042 628231170 /nfs/dbraw/zinc/23/11/70/628231170.db2.gz HLWYBQXYJBNWHE-UHFFFAOYSA-N 0 0 280.372 2.918 20 10 CFCDRN C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCOC1 ZINC000777506593 628231465 /nfs/dbraw/zinc/23/14/65/628231465.db2.gz ICFHZUIIJOTCQF-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN CCCc1nnc(NCc2ccc(OCC)cc2O)o1 ZINC000777515154 628231642 /nfs/dbraw/zinc/23/16/42/628231642.db2.gz GAKHPWXZZOBIHL-UHFFFAOYSA-N 0 0 277.324 2.739 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccnc(Cl)c1 ZINC000778280563 628294474 /nfs/dbraw/zinc/29/44/74/628294474.db2.gz VBEIQRRLOHJJRU-UHFFFAOYSA-N 0 0 277.711 2.762 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C(F)=C1CCCC1 ZINC000778916690 628339804 /nfs/dbraw/zinc/33/98/04/628339804.db2.gz ODFVARPFKCEJPA-UHFFFAOYSA-N 0 0 265.284 2.512 20 10 CFCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000778929110 628340317 /nfs/dbraw/zinc/34/03/17/628340317.db2.gz FPHVILJVYZDKOK-SNVBAGLBSA-N 0 0 265.353 2.786 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000779023623 628345504 /nfs/dbraw/zinc/34/55/04/628345504.db2.gz UZLXKKHHALORAQ-PELKAZGASA-N 0 0 293.260 2.683 20 10 CFCDRN CN(C)c1ccc(NCc2cc(F)ccc2O)nc1 ZINC000779093232 628351923 /nfs/dbraw/zinc/35/19/23/628351923.db2.gz AYQQDPHDGJTFKK-UHFFFAOYSA-N 0 0 261.300 2.604 20 10 CFCDRN COC(=O)[C@H](NCc1ccccc1O)c1ccccc1F ZINC000779179002 628358592 /nfs/dbraw/zinc/35/85/92/628358592.db2.gz SEKSXZGPBVSNJZ-OAHLLOKOSA-N 0 0 289.306 2.535 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000779431887 628381900 /nfs/dbraw/zinc/38/19/00/628381900.db2.gz SRFVFDKACNONBY-MRXNPFEDSA-N 0 0 296.386 2.713 20 10 CFCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779479883 628384442 /nfs/dbraw/zinc/38/44/42/628384442.db2.gz QQPNMQBNTYEMJL-QPJJXVBHSA-N 0 0 289.356 2.797 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1c(O)cccc1F ZINC000779486881 628385420 /nfs/dbraw/zinc/38/54/20/628385420.db2.gz WBBIEQDKNYFYKF-FNORWQNLSA-N 0 0 289.262 2.594 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1c(O)cccc1F ZINC000779486878 628385552 /nfs/dbraw/zinc/38/55/52/628385552.db2.gz WBBIEQDKNYFYKF-ALCCZGGFSA-N 0 0 289.262 2.594 20 10 CFCDRN Oc1ccccc1CNCc1nc(-c2ccccc2)no1 ZINC000779511448 628385887 /nfs/dbraw/zinc/38/58/87/628385887.db2.gz RAKKDIHNZFYHHD-UHFFFAOYSA-N 0 0 281.315 2.732 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C(F)F)CC1 ZINC000779533998 628387038 /nfs/dbraw/zinc/38/70/38/628387038.db2.gz MEYVFZGGAGSTKG-DUXPYHPUSA-N 0 0 297.301 2.615 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC=CO2)c1[O-] ZINC000780568223 628478424 /nfs/dbraw/zinc/47/84/24/628478424.db2.gz YUSRSLNXNWJKHR-NSHDSACASA-N 0 0 298.726 2.736 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000780783451 628497214 /nfs/dbraw/zinc/49/72/14/628497214.db2.gz CPZBHPZCKRAZSH-GRYCIOLGSA-N 0 0 292.379 2.950 20 10 CFCDRN Fc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000780911150 628504115 /nfs/dbraw/zinc/50/41/15/628504115.db2.gz IYMXRHRTSLEOQF-UHFFFAOYSA-N 0 0 287.338 2.669 20 10 CFCDRN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780955651 628507831 /nfs/dbraw/zinc/50/78/31/628507831.db2.gz SHEZPLWBLIOYOD-GXSJLCMTSA-N 0 0 265.353 2.961 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c(O)c1O ZINC000780953059 628507889 /nfs/dbraw/zinc/50/78/89/628507889.db2.gz DYISCZSWJQRSBY-HIFRSBDPSA-N 0 0 297.354 2.767 20 10 CFCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C)c(O)c1O ZINC000780955297 628508146 /nfs/dbraw/zinc/50/81/46/628508146.db2.gz MKGRTMMDZALXGB-MWLCHTKSSA-N 0 0 263.337 2.667 20 10 CFCDRN CC[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000780967202 628508998 /nfs/dbraw/zinc/50/89/98/628508998.db2.gz RLHQJBGJNUBOCW-HNNXBMFYSA-N 0 0 263.337 2.668 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000782633420 628651079 /nfs/dbraw/zinc/65/10/79/628651079.db2.gz HIVGSEKMKJUTNY-HOSYDEDBSA-N 0 0 295.354 2.732 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCS2)c1 ZINC000783590769 628724487 /nfs/dbraw/zinc/72/44/87/628724487.db2.gz ZJSVWQUPWVZXDS-QMTHXVAHSA-N 0 0 295.404 2.864 20 10 CFCDRN COc1cccc(O)c1CNc1cccc2c1OCO2 ZINC000783593830 628724591 /nfs/dbraw/zinc/72/45/91/628724591.db2.gz JCFQFMKGRMLXEK-UHFFFAOYSA-N 0 0 273.288 2.742 20 10 CFCDRN COc1cc(N(C)CC[C@H]2CCOC2)cc(OC)c1OC ZINC000783663779 628732060 /nfs/dbraw/zinc/73/20/60/628732060.db2.gz DTEXDGVDRRTIEL-LBPRGKRZSA-N 0 0 295.379 2.575 20 10 CFCDRN Cc1ccc(C(=O)NCC(C)(C)C(C)C)c(O)c1O ZINC000783812837 628747615 /nfs/dbraw/zinc/74/76/15/628747615.db2.gz IOSUIMQJYRILGO-UHFFFAOYSA-N 0 0 265.353 2.818 20 10 CFCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000784036302 628767734 /nfs/dbraw/zinc/76/77/34/628767734.db2.gz SSVORPOUPAYVTB-IUODEOHRSA-N 0 0 291.391 2.686 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CO[C@H](C)C1 ZINC000784438678 628817115 /nfs/dbraw/zinc/81/71/15/628817115.db2.gz RJQFKHIQVNEEAS-TZMCWYRMSA-N 0 0 277.364 2.556 20 10 CFCDRN CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616037 628831290 /nfs/dbraw/zinc/83/12/90/628831290.db2.gz YHNRPAQMRJUFRB-NXEZZACHSA-N 0 0 280.320 2.506 20 10 CFCDRN COc1ccc(N(C)CCC(C)(C)OC)c(OC)c1 ZINC000787270565 629003171 /nfs/dbraw/zinc/00/31/71/629003171.db2.gz LJYBGJPKWIPRCS-UHFFFAOYSA-N 0 0 267.369 2.955 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787408245 629011666 /nfs/dbraw/zinc/01/16/66/629011666.db2.gz UXXSWOYZRGBASB-ZSHCYNCHSA-N 0 0 287.407 2.693 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(SC)CCC2)c1 ZINC000787447368 629013726 /nfs/dbraw/zinc/01/37/26/629013726.db2.gz XUUCPVNAFIKIIP-JTQLQIEISA-N 0 0 295.404 2.864 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000852260926 634703679 /nfs/dbraw/zinc/70/36/79/634703679.db2.gz GRRWOAONHKDIBF-GXTWGEPZSA-N 0 0 273.380 2.831 20 10 CFCDRN C[C@@H]1CC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000805864260 629061601 /nfs/dbraw/zinc/06/16/01/629061601.db2.gz ITENROJQGGNADW-IUODEOHRSA-N 0 0 287.407 2.667 20 10 CFCDRN CCOc1ccc(N(C)CCc2cnn(CC)c2)cc1 ZINC000788482442 629073080 /nfs/dbraw/zinc/07/30/80/629073080.db2.gz WAOZWVAALSOQLN-UHFFFAOYSA-N 0 0 273.380 2.981 20 10 CFCDRN COC(=O)[C@H](OC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000788939124 629109808 /nfs/dbraw/zinc/10/98/08/629109808.db2.gz BZGKSBPGCAXBDZ-SNVBAGLBSA-N 0 0 298.341 2.586 20 10 CFCDRN CCN(CC)c1ccc(CNc2cn(C)nc2OC)cc1 ZINC000788971095 629112300 /nfs/dbraw/zinc/11/23/00/629112300.db2.gz FGDYEHYXZYMPLF-UHFFFAOYSA-N 0 0 288.395 2.887 20 10 CFCDRN COc1nn(C)cc1N[C@H](C)c1cc(C)ccc1O ZINC000788983827 629113982 /nfs/dbraw/zinc/11/39/82/629113982.db2.gz HUUXOXVAJJMDPG-SNVBAGLBSA-N 0 0 261.325 2.616 20 10 CFCDRN CN1CCCc2cc(CNC(=S)NC3(C)CC3)ccc21 ZINC000789212537 629135300 /nfs/dbraw/zinc/13/53/00/629135300.db2.gz LATCWXZHNILFNZ-UHFFFAOYSA-N 0 0 289.448 2.586 20 10 CFCDRN C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000789557006 629166708 /nfs/dbraw/zinc/16/67/08/629166708.db2.gz DNFIHHIVCSRHGK-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN CCOc1ccc(CNc2cccc(CO)c2)c(O)c1 ZINC000789564113 629166749 /nfs/dbraw/zinc/16/67/49/629166749.db2.gz RZTARBTVMBAOOD-UHFFFAOYSA-N 0 0 273.332 2.895 20 10 CFCDRN COc1cccc(O)c1CNc1cccc(CO)c1 ZINC000789564144 629167018 /nfs/dbraw/zinc/16/70/18/629167018.db2.gz TZOFHJKZQFDZJN-UHFFFAOYSA-N 0 0 259.305 2.505 20 10 CFCDRN COc1ccc(CN[C@@H](C)C(=O)OCC(C)C)cc1C ZINC000789580881 629168529 /nfs/dbraw/zinc/16/85/29/629168529.db2.gz QYQPJRWIMHLPNJ-ZDUSSCGKSA-N 0 0 279.380 2.681 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C2(C(=O)[O-])CCC2)cc1F ZINC000789901866 629196175 /nfs/dbraw/zinc/19/61/75/629196175.db2.gz FWDCJQUORTUEGR-UHFFFAOYSA-N 0 0 294.370 2.769 20 10 CFCDRN Cc1ccc2[nH]c(CNC(=O)C3=CC(=O)CS3)nc2c1 ZINC000789911601 629196526 /nfs/dbraw/zinc/19/65/26/629196526.db2.gz QXQIZWISTCKBPH-UHFFFAOYSA-N 0 0 287.344 2.568 20 10 CFCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789943435 629198926 /nfs/dbraw/zinc/19/89/26/629198926.db2.gz YWCVIXPTVYUHRR-VIFPVBQESA-N 0 0 275.279 2.728 20 10 CFCDRN Cc1cccc(CCNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789967975 629200960 /nfs/dbraw/zinc/20/09/60/629200960.db2.gz ZLEORQCOXIIKFM-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000790038102 629205017 /nfs/dbraw/zinc/20/50/17/629205017.db2.gz XIFSKXVOMQNSKU-ZDUSSCGKSA-N 0 0 283.375 2.947 20 10 CFCDRN CCc1nc(COC(=O)c2ccc(C)c(O)c2O)cs1 ZINC000110524905 634717012 /nfs/dbraw/zinc/71/70/12/634717012.db2.gz OPIOJFXRAGIIJP-UHFFFAOYSA-N 0 0 293.344 2.782 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000790231910 629221316 /nfs/dbraw/zinc/22/13/16/629221316.db2.gz SPTPCZIQLHTQCA-OAHLLOKOSA-N 0 0 278.396 2.828 20 10 CFCDRN Oc1ccccc1CNC(=S)Nc1ccsc1 ZINC000790314050 629230603 /nfs/dbraw/zinc/23/06/03/629230603.db2.gz ZKLKMOLNOZVYCW-UHFFFAOYSA-N 0 0 264.375 2.940 20 10 CFCDRN COc1cccc([C@H](C)NC(=O)c2cccc(O)c2O)c1 ZINC000790528941 629245542 /nfs/dbraw/zinc/24/55/42/629245542.db2.gz VMGGTWOULYGYCB-JTQLQIEISA-N 0 0 287.315 2.597 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1c1ccccc1 ZINC000790538590 629246605 /nfs/dbraw/zinc/24/66/05/629246605.db2.gz JEMXSJHOHZJMLC-ZDUSSCGKSA-N 0 0 269.300 2.685 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCCO1 ZINC000790955124 629273410 /nfs/dbraw/zinc/27/34/10/629273410.db2.gz BFFXFHQPWZNKFZ-SECBINFHSA-N 0 0 273.735 2.843 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCOC1 ZINC000790958658 629273957 /nfs/dbraw/zinc/27/39/57/629273957.db2.gz KGCGSHBVTJEGNC-ZDUSSCGKSA-N 0 0 273.735 2.701 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790974896 629275315 /nfs/dbraw/zinc/27/53/15/629275315.db2.gz ZFDLIEKLXFGQOZ-LLVKDONJSA-N 0 0 275.751 2.681 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000790982658 629277575 /nfs/dbraw/zinc/27/75/75/629277575.db2.gz WKALEEJSTPOGFU-DTWKUNHWSA-N 0 0 273.735 2.842 20 10 CFCDRN Cc1ccc2c(c1)CCN(C(=O)c1ccc(C)c(O)c1O)C2 ZINC000790992532 629278363 /nfs/dbraw/zinc/27/83/63/629278363.db2.gz NDYMXDJOLVWRSN-UHFFFAOYSA-N 0 0 297.354 2.913 20 10 CFCDRN C[C@@H]1OCCN(C/C=C/c2ccc(N(C)C)cc2)[C@H]1C ZINC000835030336 629327778 /nfs/dbraw/zinc/32/77/78/629327778.db2.gz XDWYEMKWTHCDMX-WHJWBVKISA-N 0 0 274.408 2.875 20 10 CFCDRN CN(C)c1ccc(/C=C/CNCc2cocn2)cc1 ZINC000835040055 629334523 /nfs/dbraw/zinc/33/45/23/629334523.db2.gz NGOJIJVTBYNGAU-ONEGZZNKSA-N 0 0 257.337 2.544 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(F)F ZINC000791595354 629337504 /nfs/dbraw/zinc/33/75/04/629337504.db2.gz UHSZXZCQLITBBO-UHFFFAOYSA-N 0 0 284.350 2.969 20 10 CFCDRN Cc1cnc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000835061090 629363032 /nfs/dbraw/zinc/36/30/32/629363032.db2.gz IPIZVWLYUALEDO-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000835086727 629384807 /nfs/dbraw/zinc/38/48/07/629384807.db2.gz LHEXYRYOZJSRKQ-WPRPVWTQSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000792060930 629394108 /nfs/dbraw/zinc/39/41/08/629394108.db2.gz ZARAIDNAFOYQHX-STQMWFEESA-N 0 0 287.407 2.761 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[NH+](C2CCC2)CC1 ZINC000792165531 629404099 /nfs/dbraw/zinc/40/40/99/629404099.db2.gz HYVMVQDMHYMYFH-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792173773 629405841 /nfs/dbraw/zinc/40/58/41/629405841.db2.gz CDLHPZMERNMUFA-UWVGGRQHSA-N 0 0 286.778 2.709 20 10 CFCDRN CCn1ccc(CN(C)C(=O)C2=CC(=O)CS2)c1 ZINC000792489737 629428219 /nfs/dbraw/zinc/42/82/19/629428219.db2.gz ZHHHAYJIMZKZGI-UHFFFAOYSA-N 0 0 264.350 2.547 20 10 CFCDRN COCCN(C(=O)C1=CC(=O)CS1)[C@@H]1CC[C@@H](C)C1 ZINC000792516187 629429446 /nfs/dbraw/zinc/42/94/46/629429446.db2.gz GSWXBHHCVURPEU-GHMZBOCLSA-N 0 0 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC1(F)F ZINC000839922334 630410081 /nfs/dbraw/zinc/41/00/81/630410081.db2.gz QJJOWZBKLBPJLY-SMDDNHRTSA-N 0 0 296.361 2.763 20 10 CFCDRN COc1ccc(CNc2nc([C@@H](C)OC)ns2)c(O)c1 ZINC000800871100 630413140 /nfs/dbraw/zinc/41/31/40/630413140.db2.gz IJBXENDSTWIWKN-MRVPVSSYSA-N 0 0 295.364 2.572 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1nccc(OC)n1 ZINC000800886263 630414119 /nfs/dbraw/zinc/41/41/19/630414119.db2.gz CUGGWDQVPVZQRK-UHFFFAOYSA-N 0 0 287.363 2.998 20 10 CFCDRN CCCCN(Cc1ccccc1O)c1ncnc2n[nH]cc21 ZINC000800887725 630414581 /nfs/dbraw/zinc/41/45/81/630414581.db2.gz ZXZPEKYYLKAPOD-UHFFFAOYSA-N 0 0 297.362 2.865 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](C2CCC2)C1 ZINC000839944688 630469493 /nfs/dbraw/zinc/46/94/93/630469493.db2.gz KTMKJCTXMGQTAM-JTQLQIEISA-N 0 0 251.351 2.716 20 10 CFCDRN CO[C@H](COC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000801859218 630480721 /nfs/dbraw/zinc/48/07/21/630480721.db2.gz YJGXXWPTTOAROJ-CQSZACIVSA-N 0 0 288.299 2.642 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)N(C)C)cc1 ZINC000804021720 630658609 /nfs/dbraw/zinc/65/86/09/630658609.db2.gz FJQAQOSXSWTEBR-UHFFFAOYSA-N 0 0 263.385 2.646 20 10 CFCDRN COc1ccc(N2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000804321094 630672116 /nfs/dbraw/zinc/67/21/16/630672116.db2.gz DSFYLCOKNWAUEJ-UHFFFAOYSA-N 0 0 287.338 2.556 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1cccc(Cl)c1[O-] ZINC000806161125 630776722 /nfs/dbraw/zinc/77/67/22/630776722.db2.gz XFJONYABQBBBQE-HIFRSBDPSA-N 0 0 299.798 2.892 20 10 CFCDRN C[C@H](NCc1cnn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000806168467 630778076 /nfs/dbraw/zinc/77/80/76/630778076.db2.gz NUTHNTNLTOQKOA-AWEZNQCLSA-N 0 0 299.422 2.656 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(F)F)cc1 ZINC000836240642 630779160 /nfs/dbraw/zinc/77/91/60/630779160.db2.gz BQLLGXWCHVMMOR-UHFFFAOYSA-N 0 0 299.365 2.987 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000806169977 630779262 /nfs/dbraw/zinc/77/92/62/630779262.db2.gz UDICXLILNPHUPB-NXEZZACHSA-N 0 0 273.323 2.586 20 10 CFCDRN C[C@@H](F)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000836319423 630791649 /nfs/dbraw/zinc/79/16/49/630791649.db2.gz ACGMDJBEWXUOAE-CYBMUJFWSA-N 0 0 291.370 2.610 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C1CC(OCC)C1 ZINC000806736338 630832149 /nfs/dbraw/zinc/83/21/49/630832149.db2.gz QNZPVMNCLXICIM-UHFFFAOYSA-N 0 0 291.391 2.946 20 10 CFCDRN O=C(NCc1ccccc1O)C1(C2CCC2)CCC1 ZINC000836777505 630880316 /nfs/dbraw/zinc/88/03/16/630880316.db2.gz LFVPUDYOWIFSON-UHFFFAOYSA-N 0 0 259.349 2.979 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2CO1 ZINC000807845944 630913017 /nfs/dbraw/zinc/91/30/17/630913017.db2.gz CUNAPZMOZMAYMS-UHFFFAOYSA-N 0 0 261.302 2.541 20 10 CFCDRN CC(=O)C(=O)COc1ccc(Br)cc1Cl ZINC000808011932 630942047 /nfs/dbraw/zinc/94/20/47/630942047.db2.gz GGHNQUYFTONIIF-UHFFFAOYSA-N 0 0 291.528 2.639 20 10 CFCDRN CC(=O)C(=O)CSc1ncc(C(C)C)n1C(C)C ZINC000808022287 630942466 /nfs/dbraw/zinc/94/24/66/630942466.db2.gz ITESATWBHJUPPX-UHFFFAOYSA-N 0 0 268.382 2.838 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)SC ZINC000808095660 630950369 /nfs/dbraw/zinc/95/03/69/630950369.db2.gz NKUIBKIJSGZTQI-NSHDSACASA-N 0 0 288.409 2.636 20 10 CFCDRN O=C1NCc2c1cccc2NCc1cc(Cl)ccc1O ZINC000808419524 630989420 /nfs/dbraw/zinc/98/94/20/630989420.db2.gz JEBCKRXJEGLVJF-UHFFFAOYSA-N 0 0 288.734 2.901 20 10 CFCDRN CC[C@@H](C)c1ccc(C(=O)OCC(=O)C(C)=O)cc1 ZINC000808526561 631008402 /nfs/dbraw/zinc/00/84/02/631008402.db2.gz RJGQSLKLKPXMKA-SNVBAGLBSA-N 0 0 262.305 2.515 20 10 CFCDRN CCCc1cc(C(=O)OCC(=O)C(C)=O)ccc1Cl ZINC000808539360 631010109 /nfs/dbraw/zinc/01/01/09/631010109.db2.gz BHOREUYRBHRMPK-UHFFFAOYSA-N 0 0 282.723 2.607 20 10 CFCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000837378681 631016782 /nfs/dbraw/zinc/01/67/82/631016782.db2.gz CXZAPBBRBFWEJU-DOTOQJQBSA-N 0 0 289.423 2.986 20 10 CFCDRN CC[C@@H](CC(F)F)C(=O)NCc1cccc(OC)c1O ZINC000837484966 631045068 /nfs/dbraw/zinc/04/50/68/631045068.db2.gz KCQVLJVVTPATMX-VIFPVBQESA-N 0 0 287.306 2.698 20 10 CFCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)C1CCCCC1 ZINC000837647862 631096867 /nfs/dbraw/zinc/09/68/67/631096867.db2.gz LJLSLOJHKJMHIE-JTQLQIEISA-N 0 0 292.331 2.793 20 10 CFCDRN CC(=O)C(=O)COC(=O)C(C)(C)c1cccc2ccccc21 ZINC000837780682 631128096 /nfs/dbraw/zinc/12/80/96/631128096.db2.gz BZFHQBHLMDDVFO-UHFFFAOYSA-N 0 0 298.338 2.819 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc2n(n1)CCC2 ZINC000840718371 631176571 /nfs/dbraw/zinc/17/65/71/631176571.db2.gz AGIWHFOLQFCKFW-GFCCVEGCSA-N 0 0 283.375 2.615 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=S)NC2(C)CCC2)c1 ZINC000840725935 631176965 /nfs/dbraw/zinc/17/69/65/631176965.db2.gz QVOGPVYJMPMMEE-SNVBAGLBSA-N 0 0 294.420 2.869 20 10 CFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](CF)C2)c1 ZINC000840172389 631218988 /nfs/dbraw/zinc/21/89/88/631218988.db2.gz WZGQRYHTQZAXFF-CYBMUJFWSA-N 0 0 297.370 2.566 20 10 CFCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840860226 631244446 /nfs/dbraw/zinc/24/44/46/631244446.db2.gz QUEMSZCLKJEYOH-KXUCPTDWSA-N 0 0 282.365 2.845 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnn2ccccc12 ZINC000809700578 631266101 /nfs/dbraw/zinc/26/61/01/631266101.db2.gz JQJKZBQHNDFJKE-UHFFFAOYSA-N 0 0 287.750 2.983 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1 ZINC000809696460 631267020 /nfs/dbraw/zinc/26/70/20/631267020.db2.gz JWMUWAAYUWQFED-ZWNOBZJWSA-N 0 0 289.297 2.852 20 10 CFCDRN CO[C@H](C)C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809717153 631270102 /nfs/dbraw/zinc/27/01/02/631270102.db2.gz COHOMOVZYPZISD-MRVPVSSYSA-N 0 0 261.724 2.651 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840963152 631285548 /nfs/dbraw/zinc/28/55/48/631285548.db2.gz LNIKUEJOJVEYOT-CYBMUJFWSA-N 0 0 293.313 2.536 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(C)C ZINC000840967487 631288050 /nfs/dbraw/zinc/28/80/50/631288050.db2.gz GFCYIUZJJCGUFB-CHWSQXEVSA-N 0 0 271.788 2.931 20 10 CFCDRN Cc1cc(O)c(CNc2cccc3c2CCNC3=O)cc1C ZINC000840972955 631291215 /nfs/dbraw/zinc/29/12/15/631291215.db2.gz BWLCDJJVHJQQOG-UHFFFAOYSA-N 0 0 296.370 2.907 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c1O ZINC000840999360 631299174 /nfs/dbraw/zinc/29/91/74/631299174.db2.gz VDSMIYVLRTXWIY-SECBINFHSA-N 0 0 271.744 2.507 20 10 CFCDRN CCOC(=O)c1c(C)onc1CSc1nccs1 ZINC000809956935 631305201 /nfs/dbraw/zinc/30/52/01/631305201.db2.gz UAOGAKPQTOJYTC-UHFFFAOYSA-N 0 0 284.362 2.909 20 10 CFCDRN CN(C)c1ccc(OCc2nc(-c3ccoc3)no2)cc1 ZINC000810001593 631311425 /nfs/dbraw/zinc/31/14/25/631311425.db2.gz JDLLGJXVZHMXTP-UHFFFAOYSA-N 0 0 285.303 2.975 20 10 CFCDRN CCc1nnc(COc2ccc(N(C)C)cc2)s1 ZINC000810000624 631311898 /nfs/dbraw/zinc/31/18/98/631311898.db2.gz JNQUTGOYHAKMLW-UHFFFAOYSA-N 0 0 263.366 2.746 20 10 CFCDRN CC(C)C[C@@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841038899 631315632 /nfs/dbraw/zinc/31/56/32/631315632.db2.gz UDMGDYUXBLLFCZ-NSHDSACASA-N 0 0 256.777 2.509 20 10 CFCDRN COc1cc(CNc2ccc(N)cc2)cc(OC)c1OC ZINC000841040022 631317239 /nfs/dbraw/zinc/31/72/39/631317239.db2.gz GVGZNLRJUOIWDR-UHFFFAOYSA-N 0 0 288.347 2.907 20 10 CFCDRN COCCOc1ccc(CNc2ccc(N)cc2)cc1 ZINC000841040483 631318492 /nfs/dbraw/zinc/31/84/92/631318492.db2.gz RRAJRRSDNRWNAW-UHFFFAOYSA-N 0 0 272.348 2.906 20 10 CFCDRN C[C@H]1CCNC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841057636 631323394 /nfs/dbraw/zinc/32/33/94/631323394.db2.gz BQGBTWFBSSTMAL-QPUJVOFHSA-N 0 0 289.206 2.787 20 10 CFCDRN CC(C)(C)[C@@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841086487 631336242 /nfs/dbraw/zinc/33/62/42/631336242.db2.gz AVWSJOLJZKXQHJ-LLVKDONJSA-N 0 0 256.777 2.509 20 10 CFCDRN Cc1ccc(NC(=O)NCCc2ccc(N)cc2)c(C)n1 ZINC000841140303 631346601 /nfs/dbraw/zinc/34/66/01/631346601.db2.gz CCTSBPCAZIBETM-UHFFFAOYSA-N 0 0 284.363 2.645 20 10 CFCDRN Cc1nnc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000810242986 631348950 /nfs/dbraw/zinc/34/89/50/631348950.db2.gz JWMFHIIPWUQLIR-SSDOTTSWSA-N 0 0 299.346 2.724 20 10 CFCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000810256564 631351135 /nfs/dbraw/zinc/35/11/35/631351135.db2.gz BTHKVRCTFFNZKS-VGMNWLOBSA-N 0 0 259.296 2.744 20 10 CFCDRN CN(CC1(O)CCCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000841295533 631376082 /nfs/dbraw/zinc/37/60/82/631376082.db2.gz AGDNJAMTSWMBPP-UHFFFAOYSA-N 0 0 291.395 2.818 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000841297232 631376931 /nfs/dbraw/zinc/37/69/31/631376931.db2.gz CTYKJDWWMDZTQF-HNNXBMFYSA-N 0 0 282.347 2.937 20 10 CFCDRN CC(C)C[C@@]1(CO)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841297010 631377053 /nfs/dbraw/zinc/37/70/53/631377053.db2.gz KLGBHJKRNZJUJE-MRXNPFEDSA-N 0 0 291.395 2.674 20 10 CFCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)C[C@@H]1OC ZINC000841298268 631377109 /nfs/dbraw/zinc/37/71/09/631377109.db2.gz OYCRCOAKBPCWPK-KGLIPLIRSA-N 0 0 291.395 2.984 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000841298377 631377344 /nfs/dbraw/zinc/37/73/44/631377344.db2.gz BPFKPNIJQPJULT-GFCCVEGCSA-N 0 0 259.353 2.923 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H](CO)CC2CCCC2)cc1 ZINC000841296655 631377367 /nfs/dbraw/zinc/37/73/67/631377367.db2.gz WNDVTRZDDRDBAR-CYBMUJFWSA-N 0 0 291.395 2.579 20 10 CFCDRN Nc1ccc(NC(=O)NCCC[C@@H]2CCCCO2)cc1 ZINC000841295965 631377383 /nfs/dbraw/zinc/37/73/83/631377383.db2.gz LFNFABRKJBYVSD-AWEZNQCLSA-N 0 0 277.368 2.740 20 10 CFCDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841298598 631377731 /nfs/dbraw/zinc/37/77/31/631377731.db2.gz BRTGATXBNKMAAH-IUODEOHRSA-N 0 0 291.395 2.842 20 10 CFCDRN Nc1ccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000841299241 631377804 /nfs/dbraw/zinc/37/78/04/631377804.db2.gz XOLFZARXFCDTRV-WFASDCNBSA-N 0 0 291.395 2.722 20 10 CFCDRN Nc1ccc(NC(=O)NCCCC2CCOCC2)cc1 ZINC000841298809 631377865 /nfs/dbraw/zinc/37/78/65/631377865.db2.gz HJSSIRUWWCNRPX-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN COCCN(Cc1ccco1)C(=O)Nc1ccc(N)cc1 ZINC000841301672 631379033 /nfs/dbraw/zinc/37/90/33/631379033.db2.gz CRADFNNAFVHFHA-UHFFFAOYSA-N 0 0 289.335 2.542 20 10 CFCDRN CON(CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841300686 631379304 /nfs/dbraw/zinc/37/93/04/631379304.db2.gz ZTYQHBYQQROMBJ-UHFFFAOYSA-N 0 0 251.330 2.710 20 10 CFCDRN CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841300931 631379343 /nfs/dbraw/zinc/37/93/43/631379343.db2.gz XEOALKCEAQWEBV-CJNGLKHVSA-N 0 0 291.395 2.936 20 10 CFCDRN CCO/C=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841347753 631392266 /nfs/dbraw/zinc/39/22/66/631392266.db2.gz XJUFNTPNGXFTQE-CFYYFVFUSA-N 0 0 290.407 2.658 20 10 CFCDRN Cc1cc(N(C)C)ccc1/C=C1\SC(=S)N(C)C1=O ZINC000841497810 631417210 /nfs/dbraw/zinc/41/72/10/631417210.db2.gz YOVQUWOQESZPTN-WQLSENKSSA-N 0 0 292.429 2.892 20 10 CFCDRN Cc1cc(N(C)C)ccc1/C=C1/SC(=S)N(C)C1=O ZINC000841497811 631417462 /nfs/dbraw/zinc/41/74/62/631417462.db2.gz YOVQUWOQESZPTN-XYOKQWHBSA-N 0 0 292.429 2.892 20 10 CFCDRN CC(=O)N(C)c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000841505738 631417872 /nfs/dbraw/zinc/41/78/72/631417872.db2.gz CQOZXFZOPQHTIR-UHFFFAOYSA-N 0 0 298.390 2.742 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841617008 631432962 /nfs/dbraw/zinc/43/29/62/631432962.db2.gz CEHXZPJJXRBOJB-DOMZBBRYSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1[O-] ZINC000841750680 631464714 /nfs/dbraw/zinc/46/47/14/631464714.db2.gz ABNREXLBAFLWDL-PWSUYJOCSA-N 0 0 291.782 2.908 20 10 CFCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750881 631465927 /nfs/dbraw/zinc/46/59/27/631465927.db2.gz KBCDYPJSPVYRHA-BIMULSAOSA-N 0 0 296.798 2.611 20 10 CFCDRN CCn1ncnc1CN[C@@H](C)c1ccc(Cl)cc1O ZINC000841753512 631466390 /nfs/dbraw/zinc/46/63/90/631466390.db2.gz UXXRHLINFIJJBH-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757194 631467684 /nfs/dbraw/zinc/46/76/84/631467684.db2.gz FRFSGQVONIBKHI-ONGXEEELSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841757953 631468100 /nfs/dbraw/zinc/46/81/00/631468100.db2.gz JGOKHOJMYDAGOW-YPMHNXCESA-N 0 0 299.798 2.892 20 10 CFCDRN CC[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)CC(=O)[O-] ZINC000841793226 631471853 /nfs/dbraw/zinc/47/18/53/631471853.db2.gz ASDKCSZGAVZMPX-GFCCVEGCSA-N 0 0 265.353 2.594 20 10 CFCDRN COc1ccc(C[NH2+]CC2(C(=O)[O-])CCCC2)cc1C ZINC000841795256 631472419 /nfs/dbraw/zinc/47/24/19/631472419.db2.gz PHYLHBVFSCKYOO-UHFFFAOYSA-N 0 0 277.364 2.738 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)CCC(=O)[O-])cc1 ZINC000841807714 631473512 /nfs/dbraw/zinc/47/35/12/631473512.db2.gz DGPWIUANLONZJQ-CYBMUJFWSA-N 0 0 278.396 2.876 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H]2C=C[C@H](C(=O)[O-])C2)cc1 ZINC000841810969 631474732 /nfs/dbraw/zinc/47/47/32/631474732.db2.gz CQRZDSZNHGWHLX-LSDHHAIUSA-N 0 0 288.391 2.652 20 10 CFCDRN COc1ccc(C[NH2+]C(C)(C)C[C@H](C)C(=O)[O-])cc1C ZINC000841815811 631475364 /nfs/dbraw/zinc/47/53/64/631475364.db2.gz LGRQBGRVODBJDO-LBPRGKRZSA-N 0 0 279.380 2.983 20 10 CFCDRN CCC(C)(C)C(=O)COC(=O)c1ccc(C)c(O)c1O ZINC000840218815 631489714 /nfs/dbraw/zinc/48/97/14/631489714.db2.gz DDCZRBOZHMSKCZ-UHFFFAOYSA-N 0 0 280.320 2.568 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960054 631496439 /nfs/dbraw/zinc/49/64/39/631496439.db2.gz TVHWZAIARNGXQX-MCIONIFRSA-N 0 0 289.423 2.887 20 10 CFCDRN CC[C@H]1C[C@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841957002 631496792 /nfs/dbraw/zinc/49/67/92/631496792.db2.gz DCVLHNYXKJWJBP-WFASDCNBSA-N 0 0 275.396 2.641 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCCCSC)c1 ZINC000155216619 650014823 /nfs/dbraw/zinc/01/48/23/650014823.db2.gz GXXWZKYVUIJWKN-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN Cc1cc(O)ccc1NS(=O)(=O)CCc1cccs1 ZINC000811684411 631605543 /nfs/dbraw/zinc/60/55/43/631605543.db2.gz IMFPKOAXJMEBRG-UHFFFAOYSA-N 0 0 297.401 2.747 20 10 CFCDRN Oc1ccc(CCNc2nnc(C(F)F)s2)cc1O ZINC000811811046 631625629 /nfs/dbraw/zinc/62/56/29/631625629.db2.gz KPEIKGZLUSKQER-UHFFFAOYSA-N 0 0 287.291 2.542 20 10 CFCDRN CO[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811905316 631639442 /nfs/dbraw/zinc/63/94/42/631639442.db2.gz AVKNDALLYKHYKA-JHJVBQTASA-N 0 0 293.411 2.536 20 10 CFCDRN COc1ccc(F)cc1/C=C1/SC(=S)N(C)C1=O ZINC000812217772 631669301 /nfs/dbraw/zinc/66/93/01/631669301.db2.gz BNUIXHPWHJCXRK-UXBLZVDNSA-N 0 0 283.349 2.665 20 10 CFCDRN Cn1nc(C2CC2)nc1COc1ccc(N2CCCC2)cc1 ZINC000842649387 631692031 /nfs/dbraw/zinc/69/20/31/631692031.db2.gz KHZHPWVXLDTGRE-UHFFFAOYSA-N 0 0 298.390 2.872 20 10 CFCDRN Cc1cc(-c2nc(CN)no2)c(C)n1-c1cccc(C)c1 ZINC000842650707 631693328 /nfs/dbraw/zinc/69/33/28/631693328.db2.gz GPZMWMFUAYSKBO-UHFFFAOYSA-N 0 0 282.347 2.911 20 10 CFCDRN CCCc1nsc(NCc2ccc(OC)cc2O)n1 ZINC000812474948 631723539 /nfs/dbraw/zinc/72/35/39/631723539.db2.gz KTZFXYIYCYDXMZ-UHFFFAOYSA-N 0 0 279.365 2.817 20 10 CFCDRN Cc1c(NCc2cc3c(cc2O)OCO3)n[nH]c1C(C)C ZINC000842748951 631726972 /nfs/dbraw/zinc/72/69/72/631726972.db2.gz JIOVOODHQFZYSK-UHFFFAOYSA-N 0 0 289.335 2.888 20 10 CFCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000812511632 631728193 /nfs/dbraw/zinc/72/81/93/631728193.db2.gz JMYIMXANQLSKMG-KGLIPLIRSA-N 0 0 292.423 2.596 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC(C3CC3)C2)c1[O-] ZINC000812775152 631770560 /nfs/dbraw/zinc/77/05/60/631770560.db2.gz HNLJYQFTNCIZAX-UHFFFAOYSA-N 0 0 282.727 2.796 20 10 CFCDRN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000812778652 631772142 /nfs/dbraw/zinc/77/21/42/631772142.db2.gz KHEARQZGLIBJIA-NSHDSACASA-N 0 0 273.735 2.530 20 10 CFCDRN COc1ccc(N2CC[C@H](COC(=O)C3(C)CC3)C2)cc1 ZINC000842878283 631772378 /nfs/dbraw/zinc/77/23/78/631772378.db2.gz KALSDDVYGCVTJF-ZDUSSCGKSA-N 0 0 289.375 2.865 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCCF)c1 ZINC000812928826 631807758 /nfs/dbraw/zinc/80/77/58/631807758.db2.gz JTDIFPGIWCUXBB-SNVBAGLBSA-N 0 0 284.331 2.511 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039088 631809402 /nfs/dbraw/zinc/80/94/02/631809402.db2.gz ANISFBVENDLRRW-ZANVPECISA-N 0 0 297.782 2.897 20 10 CFCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000843039214 631810024 /nfs/dbraw/zinc/81/00/24/631810024.db2.gz OCLAYRAHCJBRET-VUBDOFJKSA-N 0 0 288.391 2.609 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039087 631810052 /nfs/dbraw/zinc/81/00/52/631810052.db2.gz ANISFBVENDLRRW-TVQRCGJNSA-N 0 0 297.782 2.897 20 10 CFCDRN CC(C)[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000843104112 631835889 /nfs/dbraw/zinc/83/58/89/631835889.db2.gz GWGSBEMHTXJAGL-GFCCVEGCSA-N 0 0 286.778 2.615 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159961 631871608 /nfs/dbraw/zinc/87/16/08/631871608.db2.gz DHTJSFQCMZQJCB-RULNRJAQSA-N 0 0 273.336 2.729 20 10 CFCDRN Nc1ccc(Cc2nc(CCC3CCOCC3)no2)cc1 ZINC000843236792 631909651 /nfs/dbraw/zinc/90/96/51/631909651.db2.gz UXWAOGMRSSBXBY-UHFFFAOYSA-N 0 0 287.363 2.602 20 10 CFCDRN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000843427870 631955585 /nfs/dbraw/zinc/95/55/85/631955585.db2.gz VPJWXPBMTXQZEG-JQWIXIFHSA-N 0 0 271.788 2.932 20 10 CFCDRN CC[C@H](C)CONC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000813825830 631963557 /nfs/dbraw/zinc/96/35/57/631963557.db2.gz LNQPYXJTJDKOBW-QWRGUYRKSA-N 0 0 296.367 2.739 20 10 CFCDRN CC(C)Cn1nccc1C(=O)N(C)Cc1ccccc1O ZINC000843820110 632062029 /nfs/dbraw/zinc/06/20/29/632062029.db2.gz KJEYZGQZVFKLFU-UHFFFAOYSA-N 0 0 287.363 2.517 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cn2c(n1)CCC2 ZINC000843820705 632062042 /nfs/dbraw/zinc/06/20/42/632062042.db2.gz XJZLSEIRNZDFOK-UHFFFAOYSA-N 0 0 299.374 2.587 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccccc2O)CCc2ccccc21 ZINC000843831352 632063744 /nfs/dbraw/zinc/06/37/44/632063744.db2.gz FFIQVBSGHOBFNT-GOSISDBHSA-N 0 0 281.355 2.913 20 10 CFCDRN Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000156287824 650051335 /nfs/dbraw/zinc/05/13/35/650051335.db2.gz PKFCUUSQILCKOX-UHFFFAOYSA-N 0 0 298.386 2.528 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c(O)c1O ZINC000843941092 632079989 /nfs/dbraw/zinc/07/99/89/632079989.db2.gz XZBOIGVVWKKXNH-AAEUAGOBSA-N 0 0 275.348 2.811 20 10 CFCDRN Cc1ccc(C(=O)N(C)CCC(C)(C)C)c(O)c1O ZINC000844013435 632097018 /nfs/dbraw/zinc/09/70/18/632097018.db2.gz UCVNFSNODGUGDP-UHFFFAOYSA-N 0 0 265.353 2.914 20 10 CFCDRN CN(C)c1ccc(CNc2ccnc3cccnc32)cc1 ZINC000814814983 632131775 /nfs/dbraw/zinc/13/17/75/632131775.db2.gz HVHMKKIJRMMKGK-UHFFFAOYSA-N 0 0 278.359 2.730 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC)cc2)s1 ZINC000844352684 632176733 /nfs/dbraw/zinc/17/67/33/632176733.db2.gz CDUPLJAVPCCUNU-UHFFFAOYSA-N 0 0 263.366 2.746 20 10 CFCDRN CCOC(=O)CCCCN(C)c1ccc(OC)cc1 ZINC000844353113 632177964 /nfs/dbraw/zinc/17/79/64/632177964.db2.gz GZMNAOMAJDPYIU-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN COc1ccc(N(C)CC(=O)NC2CCCCC2)cc1 ZINC000844353763 632178101 /nfs/dbraw/zinc/17/81/01/632178101.db2.gz ZMOLYVVLXBYOOE-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN COC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815009054 632187434 /nfs/dbraw/zinc/18/74/34/632187434.db2.gz YGWXGMVSPAQOKX-INIZCTEOSA-N 0 0 290.407 2.589 20 10 CFCDRN Cc1cc(CN(C)[C@@H](C)C(=O)OC(C)C)ccc1N(C)C ZINC000815060675 632192548 /nfs/dbraw/zinc/19/25/48/632192548.db2.gz BLNITHVTSDWLNM-AWEZNQCLSA-N 0 0 292.423 2.833 20 10 CFCDRN Cc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815062210 632194109 /nfs/dbraw/zinc/19/41/09/632194109.db2.gz PPLNAWJOFBNOSY-KBPBESRZSA-N 0 0 262.397 2.670 20 10 CFCDRN COC1(CCN(C)c2ccc3c(c2)OCO3)CCC1 ZINC000815076023 632196366 /nfs/dbraw/zinc/19/63/66/632196366.db2.gz UOFFLTFJIUCDIE-UHFFFAOYSA-N 0 0 263.337 2.811 20 10 CFCDRN CCN(C)c1ccc(CN(C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000815121169 632206931 /nfs/dbraw/zinc/20/69/31/632206931.db2.gz RRWGFBMVCLSVKY-HNNXBMFYSA-N 0 0 290.407 2.669 20 10 CFCDRN Cc1ccc(O)c(CNCc2ncn(-c3ccccc3)n2)c1 ZINC000815161632 632221066 /nfs/dbraw/zinc/22/10/66/632221066.db2.gz AFWNCCKKCHJFAD-UHFFFAOYSA-N 0 0 294.358 2.571 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@H](CCc1ccccc1)C(C)C ZINC000815359213 632256985 /nfs/dbraw/zinc/25/69/85/632256985.db2.gz YRZQPCSSARVJFL-OAHLLOKOSA-N 0 0 290.359 2.593 20 10 CFCDRN C[C@@H](N1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(C)C ZINC000844740590 632293760 /nfs/dbraw/zinc/29/37/60/632293760.db2.gz NVUIJFKJJCPVHC-LLVKDONJSA-N 0 0 290.363 2.591 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ncoc1C1CC1 ZINC000815629464 632301925 /nfs/dbraw/zinc/30/19/25/632301925.db2.gz DRVCASZXWNZKLK-UHFFFAOYSA-N 0 0 299.374 2.856 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000815796808 632321295 /nfs/dbraw/zinc/32/12/95/632321295.db2.gz MWUPDNJANNCXNT-YWVIFJGQSA-N 0 0 259.349 2.787 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C=C(C)C)cc1 ZINC000844852274 632322788 /nfs/dbraw/zinc/32/27/88/632322788.db2.gz HDYSDYCGOHVEBV-UHFFFAOYSA-N 0 0 276.380 2.556 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000844937158 632342141 /nfs/dbraw/zinc/34/21/41/632342141.db2.gz YNPBTLUDZSKESE-GMSGAONNSA-N 0 0 287.718 2.622 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000844938977 632342994 /nfs/dbraw/zinc/34/29/94/632342994.db2.gz XOTAXJLUZMMYMQ-LQYUOIDQSA-N 0 0 276.380 2.561 20 10 CFCDRN C[C@H](NC(=O)N1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1 ZINC000845126153 632371676 /nfs/dbraw/zinc/37/16/76/632371676.db2.gz XBUCEUFPRNXEAD-GXTWGEPZSA-N 0 0 293.386 2.957 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000816553565 632483336 /nfs/dbraw/zinc/48/33/36/632483336.db2.gz ZSTAXHBYOOFDFI-MWLCHTKSSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000816567633 632486267 /nfs/dbraw/zinc/48/62/67/632486267.db2.gz HUHDNQDLEHWQJU-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571719 632488045 /nfs/dbraw/zinc/48/80/45/632488045.db2.gz NTKIVWSRVKEYAA-NXEZZACHSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C[N@@H+]1C ZINC000816571421 632488239 /nfs/dbraw/zinc/48/82/39/632488239.db2.gz CYFWUUIFKBQGMM-ZJUUUORDSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@@H]1[C@H](C)N(Cc2cc(Cl)c(F)cc2[O-])CC[N@H+]1C ZINC000816571722 632488254 /nfs/dbraw/zinc/48/82/54/632488254.db2.gz NTKIVWSRVKEYAA-ZJUUUORDSA-N 0 0 286.778 2.709 20 10 CFCDRN CC[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOC1 ZINC000816590928 632489791 /nfs/dbraw/zinc/48/97/91/632489791.db2.gz PBBWRBOJXICUMH-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN COCC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816617339 632495980 /nfs/dbraw/zinc/49/59/80/632495980.db2.gz VUSUJRMKFLYEJP-UHFFFAOYSA-N 0 0 275.751 2.947 20 10 CFCDRN CC[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816660353 632506551 /nfs/dbraw/zinc/50/65/51/632506551.db2.gz AJGBPIVPZJYVQR-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN Oc1ccc(Cl)cc1CNc1ncnc2c1CCC2 ZINC000845709517 632530555 /nfs/dbraw/zinc/53/05/55/632530555.db2.gz STUDIGUICRNYHF-UHFFFAOYSA-N 0 0 275.739 2.936 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(C3CC3)CC2)c(O)c1O ZINC000816907345 632533906 /nfs/dbraw/zinc/53/39/06/632533906.db2.gz QMRHQKRHQOHCGR-UHFFFAOYSA-N 0 0 275.348 2.668 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cc(C)no1 ZINC000816914499 632534630 /nfs/dbraw/zinc/53/46/30/632534630.db2.gz SPFRBCRLYKILAH-UHFFFAOYSA-N 0 0 288.347 2.670 20 10 CFCDRN Cc1ccoc1CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817026747 632547317 /nfs/dbraw/zinc/54/73/17/632547317.db2.gz RNHTUIUQLHGURF-GQCTYLIASA-N 0 0 287.315 2.671 20 10 CFCDRN COc1ccc(CNc2ccnc3c2c(C)nn3C)c(O)c1 ZINC000817119590 632560252 /nfs/dbraw/zinc/56/02/52/632560252.db2.gz YFKXAAQJRJJMAY-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN C[C@@H]1CCCc2ncc(C(=O)N(C)Cc3ccccc3O)n21 ZINC000845792548 632566521 /nfs/dbraw/zinc/56/65/21/632566521.db2.gz YRMXFABTNWIPDG-GFCCVEGCSA-N 0 0 299.374 2.758 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000845834125 632577482 /nfs/dbraw/zinc/57/74/82/632577482.db2.gz LNDADYRXEGZHCO-UMSPYCQHSA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000845834302 632577782 /nfs/dbraw/zinc/57/77/82/632577782.db2.gz SABJNBHGFRSZTB-AULYBMBSSA-N 0 0 277.364 2.583 20 10 CFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](C)O ZINC000817298417 632599229 /nfs/dbraw/zinc/59/92/29/632599229.db2.gz LEGMJYKEOGHHBY-JSGCOSHPSA-N 0 0 263.381 2.711 20 10 CFCDRN COc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000845999279 632610792 /nfs/dbraw/zinc/61/07/92/632610792.db2.gz WAWONTIFHUJIGY-UHFFFAOYSA-N 0 0 274.368 2.678 20 10 CFCDRN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000817413251 632624689 /nfs/dbraw/zinc/62/46/89/632624689.db2.gz UWLZOERPYKOJTJ-NXEZZACHSA-N 0 0 287.762 2.635 20 10 CFCDRN CCc1ccncc1NCc1cc(OC)c(OC)cc1O ZINC000846069095 632628431 /nfs/dbraw/zinc/62/84/31/632628431.db2.gz AESXJZXSNDLWJI-UHFFFAOYSA-N 0 0 288.347 2.979 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000846073406 632629526 /nfs/dbraw/zinc/62/95/26/632629526.db2.gz MUOMFZJGUZPRNZ-JTQLQIEISA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000817445013 632636686 /nfs/dbraw/zinc/63/66/86/632636686.db2.gz DIABEIKMXITTMA-SMDDNHRTSA-N 0 0 258.365 2.730 20 10 CFCDRN C[C@@H](NC(=O)[C@]1(C)CC1(F)F)c1ccc(N(C)C)cc1 ZINC000817445848 632637296 /nfs/dbraw/zinc/63/72/96/632637296.db2.gz QJSIBIKQGJWSFU-YGRLFVJLSA-N 0 0 282.334 2.975 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC12CC2 ZINC000817457686 632641015 /nfs/dbraw/zinc/64/10/15/632641015.db2.gz RDYZUODVTKHBPJ-BBRMVZONSA-N 0 0 286.419 2.908 20 10 CFCDRN COc1cccc([C@H](C)NCc2cscn2)c1O ZINC000846141491 632645077 /nfs/dbraw/zinc/64/50/77/632645077.db2.gz KDFTZQKRYGJYPD-VIFPVBQESA-N 0 0 264.350 2.708 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)CCF)c1cccc(Cl)c1[O-] ZINC000846207761 632660885 /nfs/dbraw/zinc/66/08/85/632660885.db2.gz DPLNYYYMFMWJMV-BXKDBHETSA-N 0 0 275.751 2.807 20 10 CFCDRN CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000846207508 632661016 /nfs/dbraw/zinc/66/10/16/632661016.db2.gz CJXTWIANMXKJPN-WDEREUQCSA-N 0 0 296.798 2.565 20 10 CFCDRN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(Cl)cc1[O-] ZINC000846214856 632663379 /nfs/dbraw/zinc/66/33/79/632663379.db2.gz WZNVDIXEZFFTKA-IAQYHMDHSA-N 0 0 299.798 2.628 20 10 CFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC12CC2 ZINC000817602798 632674950 /nfs/dbraw/zinc/67/49/50/632674950.db2.gz LJROUYBJXUNBBX-JTQLQIEISA-N 0 0 296.164 2.571 20 10 CFCDRN CCCc1nc(C(=O)NCc2cc(Cl)ccc2O)co1 ZINC000846473166 632715415 /nfs/dbraw/zinc/71/54/15/632715415.db2.gz JYFPGSASALMHDT-UHFFFAOYSA-N 0 0 294.738 2.916 20 10 CFCDRN CC(C)[C@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474199 632715778 /nfs/dbraw/zinc/71/57/78/632715778.db2.gz RYUOMQIPRJYYKR-VXGBXAGGSA-N 0 0 267.756 2.954 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCCS1 ZINC000846473630 632715838 /nfs/dbraw/zinc/71/58/38/632715838.db2.gz NMWZNFZDDLNWNH-LBPRGKRZSA-N 0 0 285.796 2.948 20 10 CFCDRN CC(C)n1ccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846475748 632716431 /nfs/dbraw/zinc/71/64/31/632716431.db2.gz HZEUPQGJYDWEGH-UHFFFAOYSA-N 0 0 293.754 2.753 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1CC=CC1 ZINC000846476174 632716571 /nfs/dbraw/zinc/71/65/71/632716571.db2.gz LOKVJBNUVWWDNH-UHFFFAOYSA-N 0 0 251.713 2.628 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@H]1C1CC1 ZINC000846475692 632716670 /nfs/dbraw/zinc/71/66/70/632716670.db2.gz FUWRESPHQFSIEQ-NEPJUHHUSA-N 0 0 265.740 2.708 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1(C(F)F)CC1 ZINC000846475706 632716677 /nfs/dbraw/zinc/71/66/77/632716677.db2.gz GLDXGEOGFOEAOZ-UHFFFAOYSA-N 0 0 275.682 2.707 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881470 632717347 /nfs/dbraw/zinc/71/73/47/632717347.db2.gz UNGVDTBIRIPWHJ-WCQYABFASA-N 0 0 294.370 2.577 20 10 CFCDRN COCC(C)(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476472 632717585 /nfs/dbraw/zinc/71/75/85/632717585.db2.gz MXVIKJROSJIPAY-UHFFFAOYSA-N 0 0 285.771 2.725 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817881468 632717599 /nfs/dbraw/zinc/71/75/99/632717599.db2.gz UNGVDTBIRIPWHJ-AAEUAGOBSA-N 0 0 294.370 2.577 20 10 CFCDRN C[C@H](NCC(F)(F)CN)c1ccc2ccccc2c1O ZINC000817965768 632763990 /nfs/dbraw/zinc/76/39/90/632763990.db2.gz CHYAGVYKWWADNJ-JTQLQIEISA-N 0 0 280.318 2.790 20 10 CFCDRN C[C@]1(CCNC(=O)C2=CC(=O)CS2)C[C@]1(F)Cl ZINC000846657228 632766925 /nfs/dbraw/zinc/76/69/25/632766925.db2.gz AAIOQCIUPHQPNF-WDEREUQCSA-N 0 0 277.748 2.888 20 10 CFCDRN C[C@@H]1CCCc2ncc(C(=O)Nc3ccc(N)cc3)n21 ZINC000846662236 632767922 /nfs/dbraw/zinc/76/79/22/632767922.db2.gz OMEXAOIQXLQNSY-SNVBAGLBSA-N 0 0 270.336 2.615 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC000846665956 632768446 /nfs/dbraw/zinc/76/84/46/632768446.db2.gz PDWHBGWWQYXQMW-HZPDHXFCSA-N 0 0 272.392 2.754 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000818219976 632814715 /nfs/dbraw/zinc/81/47/15/632814715.db2.gz CZTNECBHYVWBPT-FZMZJTMJSA-N 0 0 276.336 2.826 20 10 CFCDRN C[C@@H](N[C@H](C)c1nccc(N)n1)c1ccc(N(C)C)cc1 ZINC000846863074 632824500 /nfs/dbraw/zinc/82/45/00/632824500.db2.gz YGKOKQVQQGOKLH-VXGBXAGGSA-N 0 0 285.395 2.537 20 10 CFCDRN Nc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)cc1 ZINC000818556304 632865031 /nfs/dbraw/zinc/86/50/31/632865031.db2.gz KFXOSFSSMGWQKA-GFCCVEGCSA-N 0 0 289.360 2.829 20 10 CFCDRN Nc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1 ZINC000818556476 632866367 /nfs/dbraw/zinc/86/63/67/632866367.db2.gz UIRXCSDXAOQFAR-UHFFFAOYSA-N 0 0 270.336 2.833 20 10 CFCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000846978187 632866625 /nfs/dbraw/zinc/86/66/25/632866625.db2.gz NBYWDSTVNAXLOQ-LLVKDONJSA-N 0 0 288.347 2.845 20 10 CFCDRN C[C@H](CO)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992665 632873164 /nfs/dbraw/zinc/87/31/64/632873164.db2.gz LCNIMOGLOJMPGG-NSHDSACASA-N 0 0 262.378 2.875 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000818630632 632884574 /nfs/dbraw/zinc/88/45/74/632884574.db2.gz SVFBCHLJHIVRKK-ZDUSSCGKSA-N 0 0 295.379 2.627 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C(=O)[O-] ZINC000818631589 632884586 /nfs/dbraw/zinc/88/45/86/632884586.db2.gz KDRXXAHJKKZZJC-ABAIWWIYSA-N 0 0 294.370 2.577 20 10 CFCDRN CCOc1cccc(C[NH2+]CC(CC)(CC)C(=O)[O-])c1O ZINC000818631898 632884833 /nfs/dbraw/zinc/88/48/33/632884833.db2.gz VCLJHPVUOPZJER-UHFFFAOYSA-N 0 0 295.379 2.772 20 10 CFCDRN CCO/C=C/C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000847400275 632982794 /nfs/dbraw/zinc/98/27/94/632982794.db2.gz LHORYOFYKISQHK-JLHYYAGUSA-N 0 0 288.391 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C)c1 ZINC000819398341 633147107 /nfs/dbraw/zinc/14/71/07/633147107.db2.gz LEVKDXAHXMCXSV-BXUZGUMPSA-N 0 0 277.364 2.843 20 10 CFCDRN CCOCC[C@@H](O)CNc1ccccc1OCC(C)C ZINC000819416366 633154814 /nfs/dbraw/zinc/15/48/14/633154814.db2.gz OLVFXEQJSFPGTR-CQSZACIVSA-N 0 0 281.396 2.921 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000848560948 633289942 /nfs/dbraw/zinc/28/99/42/633289942.db2.gz NJMZAPRWZXPEBT-VIFPVBQESA-N 0 0 271.307 2.748 20 10 CFCDRN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000848567157 633291542 /nfs/dbraw/zinc/29/15/42/633291542.db2.gz PSZMPKITGOKFCM-AULYBMBSSA-N 0 0 294.351 2.736 20 10 CFCDRN CCc1cccc(CNc2ccc(C3(O)COC3)cc2)c1O ZINC000848912398 633397058 /nfs/dbraw/zinc/39/70/58/633397058.db2.gz QOWKNHHATXMFDB-UHFFFAOYSA-N 0 0 299.370 2.785 20 10 CFCDRN CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)c(C)cc1O ZINC000849183150 633580351 /nfs/dbraw/zinc/58/03/51/633580351.db2.gz QEJVMXYVHXORFC-GFCCVEGCSA-N 0 0 282.771 2.583 20 10 CFCDRN COc1cc(CNc2nnco2)c(O)c(C(C)(C)C)c1 ZINC000849344738 633622806 /nfs/dbraw/zinc/62/28/06/633622806.db2.gz AKJSRPFSCZNVFU-UHFFFAOYSA-N 0 0 277.324 2.693 20 10 CFCDRN Clc1cnc(SC[C@H]2CCOCO2)s1 ZINC000849999048 633786914 /nfs/dbraw/zinc/78/69/14/633786914.db2.gz VXSSAXONTJAGHP-ZCFIWIBFSA-N 0 0 251.760 2.652 20 10 CFCDRN Cc1nc(CNCc2ccc3c(c2)CCCN3C)[nH]c1C ZINC000850099471 633840254 /nfs/dbraw/zinc/84/02/54/633840254.db2.gz LXGKFFXBKCIGNB-UHFFFAOYSA-N 0 0 284.407 2.699 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850358129 633953814 /nfs/dbraw/zinc/95/38/14/633953814.db2.gz HPTKFDHKUWJGGP-JTQLQIEISA-N 0 0 268.700 2.762 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000850400531 633977582 /nfs/dbraw/zinc/97/75/82/633977582.db2.gz JRGGYOLCJCIATJ-HNNXBMFYSA-N 0 0 294.351 2.595 20 10 CFCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccn(C)n1 ZINC000858176781 636148658 /nfs/dbraw/zinc/14/86/58/636148658.db2.gz AMLROPCZMUYWDR-SNVBAGLBSA-N 0 0 294.349 2.615 20 10 CFCDRN CON(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850478502 634008925 /nfs/dbraw/zinc/00/89/25/634008925.db2.gz BOBRIHVFFKTKGO-QMMMGPOBSA-N 0 0 293.194 2.843 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000850492785 634016596 /nfs/dbraw/zinc/01/65/96/634016596.db2.gz DKBVKLPQRUKFOJ-IAQYHMDHSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)cc1O ZINC000850499077 634019191 /nfs/dbraw/zinc/01/91/91/634019191.db2.gz JEUMNFSVCHGFTF-HOTUBEGUSA-N 0 0 292.770 2.994 20 10 CFCDRN C[C@H]([NH2+]C/C=C/CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506664 634022974 /nfs/dbraw/zinc/02/29/74/634022974.db2.gz BSVDEECWWNTZMS-SGJFDWMWSA-N 0 0 276.163 2.898 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850514083 634025724 /nfs/dbraw/zinc/02/57/24/634025724.db2.gz LGGXSGUDZJCXLA-CKYFFXLPSA-N 0 0 280.324 2.519 20 10 CFCDRN CCn1cc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)nn1 ZINC000850522170 634030395 /nfs/dbraw/zinc/03/03/95/634030395.db2.gz GHUCSAVQAVYOML-JTQLQIEISA-N 0 0 294.786 2.816 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2cn(CC)nn2)cc1 ZINC000850522089 634030579 /nfs/dbraw/zinc/03/05/79/634030579.db2.gz BMWDXBDTFLUSEM-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN Cc1cncc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000850550717 634049923 /nfs/dbraw/zinc/04/99/23/634049923.db2.gz PWITXQRFUNKYHX-LLVKDONJSA-N 0 0 275.327 2.523 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)NCc2ncccn2)c1O ZINC000850552524 634051585 /nfs/dbraw/zinc/05/15/85/634051585.db2.gz OMMULZWDHBQVIF-SNVBAGLBSA-N 0 0 277.755 2.995 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1 ZINC000850750645 634078092 /nfs/dbraw/zinc/07/80/92/634078092.db2.gz MVSWFIDRHGNSAE-UHFFFAOYSA-N 0 0 286.335 2.668 20 10 CFCDRN COc1ccc2c(c1)N(C(=O)Cc1ccc(N)cc1)CCC2 ZINC000852863167 634850897 /nfs/dbraw/zinc/85/08/97/634850897.db2.gz BBFRZXORXDSYJY-UHFFFAOYSA-N 0 0 296.370 2.799 20 10 CFCDRN CCn1nccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000853239176 634948550 /nfs/dbraw/zinc/94/85/50/634948550.db2.gz BTQOEFIMWODDNY-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN Cc1cc(CO)cc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000853239609 634948675 /nfs/dbraw/zinc/94/86/75/634948675.db2.gz BGGBHOLAEGAPTH-UHFFFAOYSA-N 0 0 289.354 2.700 20 10 CFCDRN Cc1nc(CN(Cc2ccco2)Cc2ccccc2O)no1 ZINC000111232765 634962546 /nfs/dbraw/zinc/96/25/46/634962546.db2.gz AIDPJBKVXJQCBW-UHFFFAOYSA-N 0 0 299.330 2.879 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cc(CO)c(F)cn1 ZINC000853342638 634976618 /nfs/dbraw/zinc/97/66/18/634976618.db2.gz NVIBDTRNSCAPBI-UHFFFAOYSA-N 0 0 289.354 2.700 20 10 CFCDRN Cc1ccc(NCc2ccc(N(C)C)cc2C)nn1 ZINC000853342543 634977020 /nfs/dbraw/zinc/97/70/20/634977020.db2.gz MGSDNNZVYTZJMY-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN CO[C@H](COc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000853675173 635070480 /nfs/dbraw/zinc/07/04/80/635070480.db2.gz OPVXPDJFOSFKRZ-WMLDXEAASA-N 0 0 291.391 2.717 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ncccc3F)C2)cc1 ZINC000853759414 635096594 /nfs/dbraw/zinc/09/65/94/635096594.db2.gz UBZHLGLSZNERRN-LBPRGKRZSA-N 0 0 287.338 2.920 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ncc(C)c(C)n3)C2)cc1 ZINC000853758785 635097158 /nfs/dbraw/zinc/09/71/58/635097158.db2.gz KMYCARAJPSOOEJ-AWEZNQCLSA-N 0 0 298.390 2.793 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CC[C@H]1CCCCO1 ZINC000111569965 635101659 /nfs/dbraw/zinc/10/16/59/635101659.db2.gz WXWBHIAXLQVALP-CQSZACIVSA-N 0 0 277.364 2.700 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@H]1C=CCC1 ZINC000853856343 635134296 /nfs/dbraw/zinc/13/42/96/635134296.db2.gz XYMNLONYCAKRCT-JTQLQIEISA-N 0 0 283.422 2.643 20 10 CFCDRN CO[C@H](c1nc(Cc2ccc(N)cc2)no1)C1CCC1 ZINC000854133515 635222061 /nfs/dbraw/zinc/22/20/61/635222061.db2.gz DITLDHWMRJINLE-AWEZNQCLSA-N 0 0 273.336 2.730 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC000854271368 635277936 /nfs/dbraw/zinc/27/79/36/635277936.db2.gz DVEIDHNKBHMMBR-CQSZACIVSA-N 0 0 260.381 2.805 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC1 ZINC000854805927 635397479 /nfs/dbraw/zinc/39/74/79/635397479.db2.gz BEZBFPVBELAVGL-UHFFFAOYSA-N 0 0 276.361 2.586 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1CC2(CC2)C1 ZINC000855022797 635444180 /nfs/dbraw/zinc/44/41/80/635444180.db2.gz JOEOLQFXHFKKIC-UHFFFAOYSA-N 0 0 265.740 2.852 20 10 CFCDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCCO1 ZINC000855022942 635444251 /nfs/dbraw/zinc/44/42/51/635444251.db2.gz NADCVXAEIXVKLV-QMTHXVAHSA-N 0 0 297.782 2.867 20 10 CFCDRN CC/C=C(\C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229748 635489686 /nfs/dbraw/zinc/48/96/86/635489686.db2.gz LVZVDECDRUMUFR-GUVYXZIWSA-N 0 0 288.391 2.746 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H](CCF)C2)c(O)c1O ZINC000855827373 635661433 /nfs/dbraw/zinc/66/14/33/635661433.db2.gz QTYAMQLQLXENDR-LLVKDONJSA-N 0 0 281.327 2.618 20 10 CFCDRN CC(NC(=O)/C=C\c1ccc(O)c(O)c1)(C1CC1)C1CC1 ZINC000856121345 635730199 /nfs/dbraw/zinc/73/01/99/635730199.db2.gz JHHJSDGYERCXRF-OQFOIZHKSA-N 0 0 287.359 2.806 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CSCCC(C)C)c1 ZINC000114543027 635838257 /nfs/dbraw/zinc/83/82/57/635838257.db2.gz QUSYFEXXMFLBCU-UHFFFAOYSA-N 0 0 297.420 2.796 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Cc2cc(C)ccc2C)c1 ZINC000114542910 635838978 /nfs/dbraw/zinc/83/89/78/635838978.db2.gz LXHQPSFWAMIEBW-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN CCOc1cncc(/C=C2\SC(=S)N(CC)C2=O)c1 ZINC000856720521 635839807 /nfs/dbraw/zinc/83/98/07/635839807.db2.gz MCDKXUKGQZVZPP-WDZFZDKYSA-N 0 0 294.401 2.701 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000114582379 635847974 /nfs/dbraw/zinc/84/79/74/635847974.db2.gz MOIVWSYOBXEJOW-SMDDNHRTSA-N 0 0 292.379 2.779 20 10 CFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]1 ZINC000856939972 635890947 /nfs/dbraw/zinc/89/09/47/635890947.db2.gz OIPZKYTWHDPEOJ-UHFFFAOYSA-N 0 0 298.390 2.557 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C2CC2)cc1F ZINC000114963741 635949858 /nfs/dbraw/zinc/94/98/58/635949858.db2.gz KGSTZLLQDYZGDU-UHFFFAOYSA-N 0 0 293.386 2.976 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccco1 ZINC000115282279 635982455 /nfs/dbraw/zinc/98/24/55/635982455.db2.gz KYCRYEYJJXQGCI-CMDGGOBGSA-N 0 0 284.359 2.984 20 10 CFCDRN Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1O ZINC000857547449 635982748 /nfs/dbraw/zinc/98/27/48/635982748.db2.gz FCLGWROZSQXZPJ-UHFFFAOYSA-N 0 0 291.734 2.990 20 10 CFCDRN CCc1ncsc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547563 635982943 /nfs/dbraw/zinc/98/29/43/635982943.db2.gz KFLCDUGMRDMRDM-UHFFFAOYSA-N 0 0 296.779 2.995 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccncc1 ZINC000115489582 636017261 /nfs/dbraw/zinc/01/72/61/636017261.db2.gz WCKHANACXFTCKO-UHFFFAOYSA-N 0 0 297.402 2.705 20 10 CFCDRN CCN(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115592775 636024022 /nfs/dbraw/zinc/02/40/22/636024022.db2.gz ZSMVOGVUIUXOCP-UHFFFAOYSA-N 0 0 263.385 2.612 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCc2ncc(C)cc21 ZINC000857873995 636044401 /nfs/dbraw/zinc/04/44/01/636044401.db2.gz FHJDKOKCINQNTI-ONEGZZNKSA-N 0 0 285.372 2.757 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccc3[nH]cnc32)cc1 ZINC000158640026 650232353 /nfs/dbraw/zinc/23/23/53/650232353.db2.gz YGWRQMADKWKKEK-UHFFFAOYSA-N 0 0 294.358 2.559 20 10 CFCDRN CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858104415 636126825 /nfs/dbraw/zinc/12/68/25/636126825.db2.gz JZKDREVWUBXHAT-UHFFFAOYSA-N 0 0 270.332 2.656 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccco2)c1 ZINC000858135258 636135827 /nfs/dbraw/zinc/13/58/27/636135827.db2.gz QAKKSKVFMPGNPW-LBPRGKRZSA-N 0 0 288.347 2.724 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000858198068 636154201 /nfs/dbraw/zinc/15/42/01/636154201.db2.gz OHMVEGWWFOZMNM-WCQYABFASA-N 0 0 262.353 2.688 20 10 CFCDRN CCO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000858199664 636154247 /nfs/dbraw/zinc/15/42/47/636154247.db2.gz HZORNUFLUDWBDF-MRXNPFEDSA-N 0 0 292.423 2.772 20 10 CFCDRN CCCN(CCC)c1ccc(CNCc2cn[nH]n2)cc1 ZINC000858198773 636154352 /nfs/dbraw/zinc/15/43/52/636154352.db2.gz RFBQBDBTFUZFFO-UHFFFAOYSA-N 0 0 287.411 2.721 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC(C)C)c1 ZINC000858312985 636183961 /nfs/dbraw/zinc/18/39/61/636183961.db2.gz HMWNIJLMFSDGCJ-LBPRGKRZSA-N 0 0 264.369 2.934 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@@H](C)C2)c1 ZINC000858416304 636228433 /nfs/dbraw/zinc/22/84/33/636228433.db2.gz YRYNHGVDMHAIAX-DGCLKSJQSA-N 0 0 276.380 2.936 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000858485050 636267549 /nfs/dbraw/zinc/26/75/49/636267549.db2.gz IYHNJZBGSAFKDJ-AAEUAGOBSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H](Nc1nccnc1F)c1ccc(N(C)C)cc1 ZINC000858487839 636269968 /nfs/dbraw/zinc/26/99/68/636269968.db2.gz JIILQKRJHRUKBJ-SNVBAGLBSA-N 0 0 260.316 2.855 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C(C)C)c1 ZINC000858534542 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CFCDRN Cc1nc(C)c(C)c(N2Cc3cccc(O)c3C2)n1 ZINC000866117858 638745382 /nfs/dbraw/zinc/74/53/82/638745382.db2.gz SIAXNBCWFJTWEZ-UHFFFAOYSA-N 0 0 255.321 2.628 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000866442595 638822065 /nfs/dbraw/zinc/82/20/65/638822065.db2.gz OLAQAWCSZACJDU-WDEREUQCSA-N 0 0 277.286 2.588 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1[O-] ZINC000866444250 638822272 /nfs/dbraw/zinc/82/22/72/638822272.db2.gz DVAGJMUQDMQJGO-RFEWNFQQSA-N 0 0 277.339 2.605 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000866612659 638854490 /nfs/dbraw/zinc/85/44/90/638854490.db2.gz AYXNIGJGPLONMX-IUCAKERBSA-N 0 0 281.306 2.816 20 10 CFCDRN CN(Cc1nc(C2CCC2)no1)c1ccc(N)cc1 ZINC000866668125 638863620 /nfs/dbraw/zinc/86/36/20/638863620.db2.gz KKWQOGJGPHOCDX-UHFFFAOYSA-N 0 0 258.325 2.556 20 10 CFCDRN O=C(CC1CSC1)NCc1c(O)ccc2c1CCCC2 ZINC000866771532 638874853 /nfs/dbraw/zinc/87/48/53/638874853.db2.gz 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265.353 2.522 20 10 CFCDRN CN(C)[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876890966 643054538 /nfs/dbraw/zinc/05/45/38/643054538.db2.gz MUIGICMKVXLGOM-GFCCVEGCSA-N 0 0 296.317 2.656 20 10 CFCDRN c1c(CNCc2ccc3c(c2)CCO3)onc1C1CC1 ZINC000876996591 643098787 /nfs/dbraw/zinc/09/87/87/643098787.db2.gz WATBJRYYYQSKQK-UHFFFAOYSA-N 0 0 270.332 2.777 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H](O)C2CCCCC2)ccc(F)c1F ZINC000877006240 643101103 /nfs/dbraw/zinc/10/11/03/643101103.db2.gz YUXLWMLHOAZLEK-CYBMUJFWSA-N 0 0 285.334 2.701 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]2CCO[C@@H]21 ZINC000877058322 643125441 /nfs/dbraw/zinc/12/54/41/643125441.db2.gz AFVXDAOUOJKUJS-FZZIBODNSA-N 0 0 283.318 2.574 20 10 CFCDRN COCCC1(C(=O)N(C)c2ccc(N)cc2)CCCC1 ZINC000877077416 643139154 /nfs/dbraw/zinc/13/91/54/643139154.db2.gz HGCVTBIFLLJQFS-UHFFFAOYSA-N 0 0 276.380 2.829 20 10 CFCDRN CC(C)c1ocnc1C(=O)N(C)c1ccc(N)cc1 ZINC000877078021 643139555 /nfs/dbraw/zinc/13/95/55/643139555.db2.gz 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/nfs/dbraw/zinc/22/76/89/643227689.db2.gz IRVSCBMWORHWJV-MNOVXSKESA-N 0 0 263.337 2.796 20 10 CFCDRN Cc1nocc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000888744072 643239992 /nfs/dbraw/zinc/23/99/92/643239992.db2.gz WMDDPPJZAGIGRO-UHFFFAOYSA-N 0 0 298.346 2.681 20 10 CFCDRN CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877543057 643345553 /nfs/dbraw/zinc/34/55/53/643345553.db2.gz VXZVUPPUPCCWFH-NSHDSACASA-N 0 0 286.366 2.880 20 10 CFCDRN CS[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877563477 643362058 /nfs/dbraw/zinc/36/20/58/643362058.db2.gz OBFCLZVOZWKRLO-VIFPVBQESA-N 0 0 259.321 2.608 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571122 643369669 /nfs/dbraw/zinc/36/96/69/643369669.db2.gz WSFLWOCVTGOYSQ-KCJUWKMLSA-N 0 0 279.290 2.663 20 10 CFCDRN CN(Cc1ccc(F)c(F)c1[O-])C(C)(C)C[NH+]1CCCC1 ZINC000877593964 643386006 /nfs/dbraw/zinc/38/60/06/643386006.db2.gz KRPWAWRLOMWMPV-UHFFFAOYSA-N 0 0 298.377 2.977 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H](CCO)CC2)ccc(F)c1F ZINC000877596794 643389532 /nfs/dbraw/zinc/38/95/32/643389532.db2.gz TTZZSVMJZIDUOM-LLVKDONJSA-N 0 0 285.334 2.655 20 10 CFCDRN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877596673 643389878 /nfs/dbraw/zinc/38/98/78/643389878.db2.gz VWMAJFPHUGQKKO-QWRGUYRKSA-N 0 0 271.307 2.718 20 10 CFCDRN COc1ncc(CN(C)c2ccc(OC)cc2)s1 ZINC000877610743 643396581 /nfs/dbraw/zinc/39/65/81/643396581.db2.gz XYOFLDVRWCZOBG-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN COc1cc(CNCc2c(O)cc(C)cc2Cl)on1 ZINC000877635578 643420446 /nfs/dbraw/zinc/42/04/46/643420446.db2.gz XCZOLWRUHUNWKE-UHFFFAOYSA-N 0 0 282.727 2.640 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H]2CCCOC2)ccc(F)c1F ZINC000877647716 643430114 /nfs/dbraw/zinc/43/01/14/643430114.db2.gz FQLNXASOJFUALI-SNVBAGLBSA-N 0 0 271.307 2.577 20 10 CFCDRN CC[C@@](NCc1ccccc1O)(C(=O)OC)c1ccccc1 ZINC000877675387 643447869 /nfs/dbraw/zinc/44/78/69/643447869.db2.gz LOYWPIFOZVAPBS-SFHVURJKSA-N 0 0 299.370 2.960 20 10 CFCDRN COC(=O)c1oc(CN2Cc3cccc(O)c3C2)cc1C ZINC000877703244 643469604 /nfs/dbraw/zinc/46/96/04/643469604.db2.gz YAFXGOKCYAQFDI-UHFFFAOYSA-N 0 0 287.315 2.596 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CN2CCC1CC2 ZINC000877706246 643473604 /nfs/dbraw/zinc/47/36/04/643473604.db2.gz ITWHECXCHBJVBN-AWEZNQCLSA-N 0 0 298.789 2.711 20 10 CFCDRN Cc1cccc(O)c1CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877716212 643480330 /nfs/dbraw/zinc/48/03/30/643480330.db2.gz VJFQQLOXVFDACG-CYBMUJFWSA-N 0 0 289.297 2.854 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]21 ZINC000877741043 643509591 /nfs/dbraw/zinc/50/95/91/643509591.db2.gz MGEHJIJPRHYAHV-MFKMUULPSA-N 0 0 298.789 2.711 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000877778037 643554210 /nfs/dbraw/zinc/55/42/10/643554210.db2.gz IQNYYHCJMBZZPM-NWDGAFQWSA-N 0 0 273.735 2.578 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877778868 643555650 /nfs/dbraw/zinc/55/56/50/643555650.db2.gz VOQDGBNKVHLHOU-GFCCVEGCSA-N 0 0 277.755 2.867 20 10 CFCDRN Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877829355 643595091 /nfs/dbraw/zinc/59/50/91/643595091.db2.gz ZXXORCFQHGBZTL-VIFPVBQESA-N 0 0 279.290 2.620 20 10 CFCDRN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877836482 643604205 /nfs/dbraw/zinc/60/42/05/643604205.db2.gz YKOIDEGYHQPIGI-SNVBAGLBSA-N 0 0 287.762 2.778 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)o2)cc1 ZINC000877978654 643676365 /nfs/dbraw/zinc/67/63/65/643676365.db2.gz ORCDRIRQIUCYQN-UHFFFAOYSA-N 0 0 285.347 2.548 20 10 CFCDRN COc1cc(N(C)Cc2nocc2C)cc(OC)c1OC ZINC000878130403 643751723 /nfs/dbraw/zinc/75/17/23/643751723.db2.gz WZYRBFSSTYJWTL-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H]2C)cc1F ZINC000878185657 643783315 /nfs/dbraw/zinc/78/33/15/643783315.db2.gz BYJKPHULDUQALG-QWRGUYRKSA-N 0 0 253.317 2.696 20 10 CFCDRN CN(Cc1nc2c(o1)CCCC2)c1ccc2c(c1)OCO2 ZINC000878301861 643829616 /nfs/dbraw/zinc/82/96/16/643829616.db2.gz CSNRJVPTEGRFEV-UHFFFAOYSA-N 0 0 286.331 2.919 20 10 CFCDRN CCc1cc(NC(=O)N[C@H](C)c2ccccc2O)n(C)n1 ZINC000878738751 644012911 /nfs/dbraw/zinc/01/29/11/644012911.db2.gz WPXKVVAOUUAMRM-SNVBAGLBSA-N 0 0 288.351 2.571 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878801526 644031211 /nfs/dbraw/zinc/03/12/11/644031211.db2.gz KNZRJEISAWIGJF-MRXNPFEDSA-N 0 0 291.391 2.860 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000878801835 644031486 /nfs/dbraw/zinc/03/14/86/644031486.db2.gz QBBUDKRWTCDHCI-INIZCTEOSA-N 0 0 291.391 2.717 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)cc2)cc1C ZINC000127817402 644304340 /nfs/dbraw/zinc/30/43/40/644304340.db2.gz XQIFRLICRXZFOD-UHFFFAOYSA-N 0 0 270.332 2.720 20 10 CFCDRN COC(=O)c1coc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879650128 644364431 /nfs/dbraw/zinc/36/44/31/644364431.db2.gz KIEOODPZFPGLSN-NXEZZACHSA-N 0 0 290.319 2.579 20 10 CFCDRN CC(C)Cc1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879653920 644365724 /nfs/dbraw/zinc/36/57/24/644365724.db2.gz YBDXPOSANHKBIG-NSHDSACASA-N 0 0 275.352 2.825 20 10 CFCDRN CCCc1noc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879653520 644366225 /nfs/dbraw/zinc/36/62/25/644366225.db2.gz QZSNVUCRGKQORG-JTQLQIEISA-N 0 0 261.325 2.579 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2cnc(C(C)C)nc2C)c1 ZINC000880838235 644846253 /nfs/dbraw/zinc/84/62/53/644846253.db2.gz YXQANUUYXYVBRI-UHFFFAOYSA-N 0 0 299.374 2.852 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C[C@H]1C ZINC000249271745 650957343 /nfs/dbraw/zinc/95/73/43/650957343.db2.gz BIJIRUMWPTWQMQ-MXWKQRLJSA-N 0 0 263.337 2.652 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(F)F ZINC000881282958 644942840 /nfs/dbraw/zinc/94/28/40/644942840.db2.gz OBMIBPYDGWHKSN-SNVBAGLBSA-N 0 0 285.338 2.514 20 10 CFCDRN Cc1cncnc1NCc1ccc(N(C)C)cc1C ZINC000881987836 645169119 /nfs/dbraw/zinc/16/91/19/645169119.db2.gz GOXBEQKQEMKNNN-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN CC(C)C(=O)N(C)CSc1ncc(Cl)s1 ZINC000882237917 645250301 /nfs/dbraw/zinc/25/03/01/645250301.db2.gz KWULUAHBNFSEMO-UHFFFAOYSA-N 0 0 264.803 2.961 20 10 CFCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000129562378 645274817 /nfs/dbraw/zinc/27/48/17/645274817.db2.gz COLYNRIXBQZZQK-UHFFFAOYSA-N 0 0 284.363 2.778 20 10 CFCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1F ZINC000096968144 651008208 /nfs/dbraw/zinc/00/82/08/651008208.db2.gz RENKFYWZPSIKIW-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN CN1CCc2cc([C@@H]3Nc4ccccc4C(=O)N3)ccc21 ZINC000130141956 645458937 /nfs/dbraw/zinc/45/89/37/645458937.db2.gz NODLQWWMIKASBY-MRXNPFEDSA-N 0 0 279.343 2.533 20 10 CFCDRN CCCN(C)S(=O)(=O)Nc1ccc(O)c(C(C)C)c1 ZINC000882798749 645461123 /nfs/dbraw/zinc/46/11/23/645461123.db2.gz BXMGGLSHVGZLSF-UHFFFAOYSA-N 0 0 286.397 2.514 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCOCC(F)(F)F ZINC000882887632 645492944 /nfs/dbraw/zinc/49/29/44/645492944.db2.gz APXHABBLPPYLEV-UHFFFAOYSA-N 0 0 299.239 2.729 20 10 CFCDRN CC[C@@H](SC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000130656713 645545453 /nfs/dbraw/zinc/54/54/53/645545453.db2.gz ZXSVGZYIPPPCJG-CQSZACIVSA-N 0 0 280.437 2.819 20 10 CFCDRN Cc1noc(C)c1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882988491 645546673 /nfs/dbraw/zinc/54/66/73/645546673.db2.gz RYWGMCPMUDMLHE-UHFFFAOYSA-N 0 0 282.290 2.608 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC000883015884 645563658 /nfs/dbraw/zinc/56/36/58/645563658.db2.gz HQUCZURREXLPBE-AWEZNQCLSA-N 0 0 299.342 2.729 20 10 CFCDRN C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC000883017116 645564865 /nfs/dbraw/zinc/56/48/65/645564865.db2.gz XOOIOKUUYHEMMN-CQSZACIVSA-N 0 0 299.342 2.729 20 10 CFCDRN C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883041409 645578050 /nfs/dbraw/zinc/57/80/50/645578050.db2.gz LMOOVXOACIAYTE-ZJUUUORDSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000883088930 645600374 /nfs/dbraw/zinc/60/03/74/645600374.db2.gz VBSGRGKTEIMDGK-OCCSQVGLSA-N 0 0 283.318 2.718 20 10 CFCDRN Cn1ncc(NCc2cc(F)cc(F)c2O)c1C1CC1 ZINC000883089404 645600418 /nfs/dbraw/zinc/60/04/18/645600418.db2.gz JEZZAKUHVODESM-UHFFFAOYSA-N 0 0 279.290 2.893 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000883145371 645624980 /nfs/dbraw/zinc/62/49/80/645624980.db2.gz YCLYQSFIZCZTAL-WLTAIBSBSA-N 0 0 253.292 2.949 20 10 CFCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883157830 645631497 /nfs/dbraw/zinc/63/14/97/645631497.db2.gz MARXVFBKZZORSX-NOZJJQNGSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000131156955 645638745 /nfs/dbraw/zinc/63/87/45/645638745.db2.gz UXZZLOURBGITGN-YPMHNXCESA-N 0 0 257.333 2.985 20 10 CFCDRN CO[C@H](C)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000304689035 651030242 /nfs/dbraw/zinc/03/02/42/651030242.db2.gz ZMPAEZJHRGILDD-SECBINFHSA-N 0 0 288.185 2.621 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000883244953 645692986 /nfs/dbraw/zinc/69/29/86/645692986.db2.gz AEAIYUHIKCCUCQ-NEPJUHHUSA-N 0 0 275.348 2.796 20 10 CFCDRN C=C/C=C/CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883268897 645711164 /nfs/dbraw/zinc/71/11/64/645711164.db2.gz VTBIJSWAUFJJLP-BTDICHCPSA-N 0 0 275.348 2.962 20 10 CFCDRN C=C/C=C\CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000883444145 645834815 /nfs/dbraw/zinc/83/48/15/645834815.db2.gz BUVGZJLNDCHHSD-ARJAWSKDSA-N 0 0 297.402 2.994 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1C=CCC1)c1ccccc1O ZINC000883785389 645971758 /nfs/dbraw/zinc/97/17/58/645971758.db2.gz QIZVTCNCAHIXNA-VXGBXAGGSA-N 0 0 260.337 2.719 20 10 CFCDRN C=C/C=C\CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000883826041 645988027 /nfs/dbraw/zinc/98/80/27/645988027.db2.gz ZAHLNOFOHDYKNK-FJOGCWAESA-N 0 0 290.363 2.893 20 10 CFCDRN CCn1ncc(C(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000884008787 646094703 /nfs/dbraw/zinc/09/47/03/646094703.db2.gz BGJKOWWCUNTRJK-UHFFFAOYSA-N 0 0 270.336 2.615 20 10 CFCDRN CC(C)(CC(=O)NCCc1ccc(N)cc1)CC(F)F ZINC000884028944 646119385 /nfs/dbraw/zinc/11/93/85/646119385.db2.gz XAMSACGMUPAICQ-UHFFFAOYSA-N 0 0 284.350 2.999 20 10 CFCDRN COc1ccccc1NC(=O)NCc1ccccc1O ZINC000133744292 646218548 /nfs/dbraw/zinc/21/85/48/646218548.db2.gz OLNHEXWXRJGVEU-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc(F)cc1F ZINC000133744515 646219026 /nfs/dbraw/zinc/21/90/26/646219026.db2.gz NZUHZULJSAVWCT-UHFFFAOYSA-N 0 0 278.258 2.992 20 10 CFCDRN COc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000133745288 646220667 /nfs/dbraw/zinc/22/06/67/646220667.db2.gz MRVCBLCBSRZOGC-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(Cl)o1 ZINC000133764033 646224969 /nfs/dbraw/zinc/22/49/69/646224969.db2.gz AHIMLICGCQMMNH-UHFFFAOYSA-N 0 0 251.669 2.569 20 10 CFCDRN CCCC[C@H](NCc1ccc(OC)c(C)c1)C(=O)OC ZINC000135198642 646489760 /nfs/dbraw/zinc/48/97/60/646489760.db2.gz BRWQQQNGOHBRHC-AWEZNQCLSA-N 0 0 279.380 2.825 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCO[C@@H]1CCOC1 ZINC000930142024 646491466 /nfs/dbraw/zinc/49/14/66/646491466.db2.gz FWYYQBARYWCSDZ-MRXNPFEDSA-N 0 0 291.391 2.643 20 10 CFCDRN CC[C@@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000216003680 646510324 /nfs/dbraw/zinc/51/03/24/646510324.db2.gz RHWPIYHQIYWFRN-BREXMAIKSA-N 0 0 250.294 2.700 20 10 CFCDRN O=C(NCC[C@H]1CCC2(CCC2)O1)C1=CC(=O)CS1 ZINC000886053954 646844903 /nfs/dbraw/zinc/84/49/03/646844903.db2.gz SNRXKAGCUZENQD-LLVKDONJSA-N 0 0 281.377 2.675 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@@]23CCOC3)c(OC)c1 ZINC000886084414 646860140 /nfs/dbraw/zinc/86/01/40/646860140.db2.gz XSEVRRSWDUWIKE-BLLLJJGKSA-N 0 0 277.364 2.567 20 10 CFCDRN CC(C)OCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489696 647016000 /nfs/dbraw/zinc/01/60/00/647016000.db2.gz OSSDTUWXOLFUFU-NSHDSACASA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886493503 647018795 /nfs/dbraw/zinc/01/87/95/647018795.db2.gz ODTRICJAALZQBX-CHWSQXEVSA-N 0 0 297.370 2.768 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1c([O-])cccc1F ZINC000886501695 647020925 /nfs/dbraw/zinc/02/09/25/647020925.db2.gz USZLPGCWYFPWSY-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886500336 647021066 /nfs/dbraw/zinc/02/10/66/647021066.db2.gz QRTLTWOTQUONJT-NSHDSACASA-N 0 0 277.343 2.846 20 10 CFCDRN COc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)ccn1 ZINC000886500062 647021318 /nfs/dbraw/zinc/02/13/18/647021318.db2.gz DJGGVYXLZYOJOW-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886512241 647024236 /nfs/dbraw/zinc/02/42/36/647024236.db2.gz AEIHJYPGXRKBFC-WDEREUQCSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1c([O-])cccc1F ZINC000886511385 647024464 /nfs/dbraw/zinc/02/44/64/647024464.db2.gz RUIGHSFYJAHQBR-GLZQIGESSA-N 0 0 287.334 2.840 20 10 CFCDRN CC[N@H+](CCN[C@@H](C)c1c(O)cccc1F)C(C)C ZINC000886520998 647026594 /nfs/dbraw/zinc/02/65/94/647026594.db2.gz ROEMCFAPCPVQNP-LBPRGKRZSA-N 0 0 268.376 2.912 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522951 647028278 /nfs/dbraw/zinc/02/82/78/647028278.db2.gz UFKWPZFPDITYNZ-ONGXEEELSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1c([O-])cccc1F ZINC000886524971 647029187 /nfs/dbraw/zinc/02/91/87/647029187.db2.gz UWQVOIDMVNZWSH-GXTWGEPZSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886527856 647031020 /nfs/dbraw/zinc/03/10/20/647031020.db2.gz BINVVPHRWIRBIX-APBUJDDRSA-N 0 0 287.400 2.729 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1c([O-])cccc1F ZINC000886535134 647034703 /nfs/dbraw/zinc/03/47/03/647034703.db2.gz VJQHELTZRWBJNX-NEPJUHHUSA-N 0 0 266.360 2.524 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1c([O-])cccc1F ZINC000886535137 647034932 /nfs/dbraw/zinc/03/49/32/647034932.db2.gz VJQHELTZRWBJNX-VXGBXAGGSA-N 0 0 266.360 2.524 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886543376 647040164 /nfs/dbraw/zinc/04/01/64/647040164.db2.gz NTCIQDDGNDDQHU-GRYCIOLGSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1c([O-])cccc1F ZINC000886560010 647047147 /nfs/dbraw/zinc/04/71/47/647047147.db2.gz LCRXHRNTWGOGQK-MKBNYLNASA-N 0 0 295.354 2.520 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886560255 647047365 /nfs/dbraw/zinc/04/73/65/647047365.db2.gz SNSYCMGFNWLNBV-MXWKQRLJSA-N 0 0 253.317 2.749 20 10 CFCDRN Cc1nnc(CN[C@H](C)c2c(O)cccc2F)s1 ZINC000886588322 647056414 /nfs/dbraw/zinc/05/64/14/647056414.db2.gz OZVYULXNMCQTEL-SSDOTTSWSA-N 0 0 267.329 2.542 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886607575 647065306 /nfs/dbraw/zinc/06/53/06/647065306.db2.gz UQBWKVUNDNVLHL-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886614088 647068337 /nfs/dbraw/zinc/06/83/37/647068337.db2.gz MZVQJAXYDUIUGZ-NEPJUHHUSA-N 0 0 296.386 2.734 20 10 CFCDRN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886617422 647070578 /nfs/dbraw/zinc/07/05/78/647070578.db2.gz NXCUGUVMZWRFSI-ABAIWWIYSA-N 0 0 296.386 2.685 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1c([O-])cccc1F ZINC000886638261 647081717 /nfs/dbraw/zinc/08/17/17/647081717.db2.gz PDLRXYSMYOAUJU-PWSUYJOCSA-N 0 0 267.344 2.591 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1c([O-])cccc1F ZINC000886638259 647081735 /nfs/dbraw/zinc/08/17/35/647081735.db2.gz PDLRXYSMYOAUJU-CMPLNLGQSA-N 0 0 267.344 2.591 20 10 CFCDRN CCn1nccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886639846 647082596 /nfs/dbraw/zinc/08/25/96/647082596.db2.gz MSBNVEPXCVNBEU-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)CC1(C)OCCO1 ZINC000886644428 647084962 /nfs/dbraw/zinc/08/49/62/647084962.db2.gz CQPKINVEJKWTJX-VXGBXAGGSA-N 0 0 297.370 2.971 20 10 CFCDRN CC[C@H]([NH2+]Cc1nnc(CSC)[n-]1)c1ccccc1O ZINC000886757720 647128603 /nfs/dbraw/zinc/12/86/03/647128603.db2.gz PEBLTYYIXZDGEI-NSHDSACASA-N 0 0 292.408 2.614 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000924332359 647960211 /nfs/dbraw/zinc/96/02/11/647960211.db2.gz PSBWLINLOYZLBZ-HIFRSBDPSA-N 0 0 288.391 2.970 20 10 CFCDRN C[C@H](NC(=O)NC[C@]1(C)CCCCO1)c1ccccc1O ZINC000927203446 648739122 /nfs/dbraw/zinc/73/91/22/648739122.db2.gz CVKZVVDPPKHRFB-LRDDRELGSA-N 0 0 292.379 2.712 20 10 CFCDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCS1 ZINC000927253861 648745571 /nfs/dbraw/zinc/74/55/71/648745571.db2.gz QWGQCQYFOJKYQP-WCQYABFASA-N 0 0 294.420 2.818 20 10 CFCDRN C[C@H](NC(=O)NC[C@]12C[C@H]1CCC2)c1ccccc1O ZINC000927710487 648821160 /nfs/dbraw/zinc/82/11/60/648821160.db2.gz IIWFBAIMEJXVGO-OZVIIMIRSA-N 0 0 274.364 2.943 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C(C1CC1)C1CC1 ZINC000928704501 648944126 /nfs/dbraw/zinc/94/41/26/648944126.db2.gz AFVFNYHMAFIERB-UHFFFAOYSA-N 0 0 263.312 2.584 20 10 CFCDRN CCO[C@@H](CC(=O)NCc1c(O)cccc1F)C(C)C ZINC000928706263 648944861 /nfs/dbraw/zinc/94/48/61/648944861.db2.gz TZICJHUQEIBJGZ-AWEZNQCLSA-N 0 0 283.343 2.599 20 10 CFCDRN C[C@H]1CCC[C@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928706003 648944881 /nfs/dbraw/zinc/94/48/81/648944881.db2.gz NKQJOOXLGMGUSK-BONVTDFDSA-N 0 0 265.328 2.974 20 10 CFCDRN Cc1ncsc1CCC(=O)NCc1c(O)cccc1F ZINC000928706846 648945461 /nfs/dbraw/zinc/94/54/61/648945461.db2.gz WVCNBHNPBGYLJP-UHFFFAOYSA-N 0 0 294.351 2.545 20 10 CFCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928708571 648945862 /nfs/dbraw/zinc/94/58/62/648945862.db2.gz PNUYDSUNWKFQKG-VHSXEESVSA-N 0 0 253.317 2.830 20 10 CFCDRN CCO[C@@H](C(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000928709494 648946035 /nfs/dbraw/zinc/94/60/35/648946035.db2.gz ISNJQIAYSAZAJT-OAHLLOKOSA-N 0 0 295.354 2.743 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928708773 648946043 /nfs/dbraw/zinc/94/60/43/648946043.db2.gz TYSGKVZBVFXUPK-ABAIWWIYSA-N 0 0 265.328 2.830 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)c1nccs1 ZINC000928712906 648946685 /nfs/dbraw/zinc/94/66/85/648946685.db2.gz XJQIQYSWXVKBAU-UHFFFAOYSA-N 0 0 294.351 2.582 20 10 CFCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC000929675796 649093514 /nfs/dbraw/zinc/09/35/14/649093514.db2.gz JSUNJQSOBSREGO-SOFGYWHQSA-N 0 0 281.359 2.721 20 10 CFCDRN COc1ccc(N(C)CCCCCNC(C)=O)cc1F ZINC000929826511 649131967 /nfs/dbraw/zinc/13/19/67/649131967.db2.gz NKCDBMLSNMJLBP-UHFFFAOYSA-N 0 0 282.359 2.577 20 10 CFCDRN COc1ccc(N(C)Cc2nncs2)cc1Cl ZINC000929828800 649132372 /nfs/dbraw/zinc/13/23/72/649132372.db2.gz KKABMKPBLLZQNK-UHFFFAOYSA-N 0 0 269.757 2.837 20 10 CFCDRN Cc1noc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000930066475 649177503 /nfs/dbraw/zinc/17/75/03/649177503.db2.gz FJTYBONCEBLWHL-UHFFFAOYSA-N 0 0 273.292 2.545 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC000934704779 649818149 /nfs/dbraw/zinc/81/81/49/649818149.db2.gz ILLHEWBQUJCZAE-RDJZCZTQSA-N 0 0 289.375 2.700 20 10 CFCDRN Cc1cnc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000934705196 649818195 /nfs/dbraw/zinc/81/81/95/649818195.db2.gz JHIRUSNMFJJFSH-UHFFFAOYSA-N 0 0 270.332 2.676 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CSc1ccncc1 ZINC000119979193 651302743 /nfs/dbraw/zinc/30/27/43/651302743.db2.gz WTQXGERBCAIFLA-UHFFFAOYSA-N 0 0 288.372 2.538 20 10 CFCDRN COC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237809024 779719137 /nfs/dbraw/zinc/71/91/37/779719137.db2.gz YOYVYMBBOZOWLE-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN COCCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000700928463 780743113 /nfs/dbraw/zinc/74/31/13/780743113.db2.gz NBUCTHFGHNJZDA-UHFFFAOYSA-N 0 0 288.185 2.623 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)CC1 ZINC000705713254 770060679 /nfs/dbraw/zinc/06/06/79/770060679.db2.gz XRCFUGPLNKUUCZ-YEORSEQZSA-N 0 0 261.369 2.647 20 10 CFCDRN C[C@@]1(F)CCN(Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057832 770114648 /nfs/dbraw/zinc/11/46/48/770114648.db2.gz PJXATCQLWDUSDB-QWHCGFSZSA-N 0 0 259.271 2.803 20 10 CFCDRN Cc1cc(C)c(-c2noc(-c3cccc(O)c3O)n2)cn1 ZINC000397426737 770201540 /nfs/dbraw/zinc/20/15/40/770201540.db2.gz YFRKPCKYNJYKBF-UHFFFAOYSA-N 0 0 283.287 2.827 20 10 CFCDRN CCCC[C@H](O)CCC(=O)NCc1cc(C)ccc1O ZINC001167293710 770227581 /nfs/dbraw/zinc/22/75/81/770227581.db2.gz OZMMYENFLBZADR-AWEZNQCLSA-N 0 0 279.380 2.648 20 10 CFCDRN Oc1c(CN2CCNCC(F)(F)C2)ccc2ccccc21 ZINC001211347045 770487386 /nfs/dbraw/zinc/48/73/86/770487386.db2.gz LIPJZBPQRGMTGN-UHFFFAOYSA-N 0 0 292.329 2.586 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc21 ZINC000588408844 770551778 /nfs/dbraw/zinc/55/17/78/770551778.db2.gz QVMDTGOAMCKFGI-ZHRWSRJISA-N 0 0 280.327 2.951 20 10 CFCDRN CC[C@@H]1C[NH+](Cc2cccc(F)c2[O-])C[C@@H](CC)O1 ZINC000398783294 770607150 /nfs/dbraw/zinc/60/71/50/770607150.db2.gz MVWQXBVJKRBYSL-CHWSQXEVSA-N 0 0 267.344 2.921 20 10 CFCDRN OCCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000708466677 775225350 /nfs/dbraw/zinc/22/53/50/775225350.db2.gz UDSCUMFXSWPOOX-UHFFFAOYSA-N 0 0 279.286 2.817 20 10 CFCDRN CCOC(=O)c1cnc(S[C@H]2CCO[C@@H]2C)s1 ZINC000383384118 775301596 /nfs/dbraw/zinc/30/15/96/775301596.db2.gz HELKLTZXIYMXMA-SFYZADRCSA-N 0 0 273.379 2.589 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293895887 775339075 /nfs/dbraw/zinc/33/90/75/775339075.db2.gz DZGHURLWNHOLKT-LLVKDONJSA-N 0 0 269.772 2.640 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000690781346 775346138 /nfs/dbraw/zinc/34/61/38/775346138.db2.gz MNTSDOPHTNGQAD-MFKMUULPSA-N 0 0 297.782 2.665 20 10 CFCDRN Cc1c(O)ccc(CN2CC(F)(F)C[C@]2(C)CF)c1O ZINC001140744453 775394547 /nfs/dbraw/zinc/39/45/47/775394547.db2.gz XWYSKBAKDGEMPP-CYBMUJFWSA-N 0 0 289.297 2.975 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694278444 775420769 /nfs/dbraw/zinc/42/07/69/775420769.db2.gz JQVAELNFLKZXQZ-BNOWGMLFSA-N 0 0 259.349 2.787 20 10 CFCDRN C[C@@H]1C[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC(C)(C)C1 ZINC001226466018 775834454 /nfs/dbraw/zinc/83/44/54/775834454.db2.gz ZFRODSBHONTCGF-SFYZADRCSA-N 0 0 298.335 2.808 20 10 CFCDRN CCCC1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226464994 775834518 /nfs/dbraw/zinc/83/45/18/775834518.db2.gz OLLPZVMRVCAQFE-UHFFFAOYSA-N 0 0 298.335 2.952 20 10 CFCDRN CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939388 776335234 /nfs/dbraw/zinc/33/52/34/776335234.db2.gz 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C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933459 779209539 /nfs/dbraw/zinc/20/95/39/779209539.db2.gz CCMBRSUVYCYIFE-SCZZXKLOSA-N 0 0 273.735 2.530 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001237934576 779210677 /nfs/dbraw/zinc/21/06/77/779210677.db2.gz KZOLHRVHKOAFIU-SNVBAGLBSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)c(Cl)cc1O ZINC001237938680 779211332 /nfs/dbraw/zinc/21/13/32/779211332.db2.gz MSZPWRQEFUSLMB-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN CCCOC1CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937020 779211472 /nfs/dbraw/zinc/21/14/72/779211472.db2.gz NDLBSNTUJGYFAM-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237940206 779211677 /nfs/dbraw/zinc/21/16/77/779211677.db2.gz IUXFHLOODCKWGI-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN O=C1CCCN(Cc2cc(F)c(Cl)cc2O)C[C@@H]1F ZINC001237935088 779212225 /nfs/dbraw/zinc/21/22/25/779212225.db2.gz QERFJGYARXFDFG-NSHDSACASA-N 0 0 289.709 2.688 20 10 CFCDRN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H](C)[N@H+]1C ZINC001237948605 779214839 /nfs/dbraw/zinc/21/48/39/779214839.db2.gz FJEVXLDVUQQYEX-AOOOYVTPSA-N 0 0 286.778 2.709 20 10 CFCDRN C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237948614 779215066 /nfs/dbraw/zinc/21/50/66/779215066.db2.gz FNODBEYZBYVNNN-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(F)cc(C)c1O ZINC001238065908 779243998 /nfs/dbraw/zinc/24/39/98/779243998.db2.gz GMYFNJXJYSIQQZ-HZMBPMFUSA-N 0 0 297.370 2.859 20 10 CFCDRN Cc1noc([C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238070837 779247279 /nfs/dbraw/zinc/24/72/79/779247279.db2.gz PYBZSFVDDDIVEX-LLVKDONJSA-N 0 0 291.326 2.521 20 10 CFCDRN CC(C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089807160 779615450 /nfs/dbraw/zinc/61/54/50/779615450.db2.gz GOXDFWIATDEESV-UHFFFAOYSA-N 0 0 291.370 2.520 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC(=O)[C@H](C)C2)c1O ZINC001237680643 779705974 /nfs/dbraw/zinc/70/59/74/779705974.db2.gz FHBZRXNTBZACNV-SNVBAGLBSA-N 0 0 267.756 2.765 20 10 CFCDRN COc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001239728042 779732293 /nfs/dbraw/zinc/73/22/93/779732293.db2.gz SHUBQTCIWQOGAE-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN CC(=O)Nc1ccccc1-c1ccn(CC2CC2)c(=O)c1 ZINC001239781638 779770629 /nfs/dbraw/zinc/77/06/29/779770629.db2.gz DMMXXHLCOKDJJK-UHFFFAOYSA-N 0 0 282.343 2.884 20 10 CFCDRN CCOCC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142832075 779827330 /nfs/dbraw/zinc/82/73/30/779827330.db2.gz WAFHMHNHCYLCKK-INIZCTEOSA-N 0 0 291.391 2.785 20 10 CFCDRN CCn1ccc(-c2ccc(OCC(F)(F)F)nc2)cc1=O ZINC001239956024 779883815 /nfs/dbraw/zinc/88/38/15/779883815.db2.gz SJGJVBFIKXNCLO-UHFFFAOYSA-N 0 0 298.264 2.871 20 10 CFCDRN COc1cccc(CNc2cccc3c2CCO3)c1O ZINC000690209353 779952583 /nfs/dbraw/zinc/95/25/83/779952583.db2.gz IHDLBMSXLGYPAX-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN CCCn1cc(-c2ncc(C(=O)OC)c3c2ccn3C)cn1 ZINC001240129231 779953777 /nfs/dbraw/zinc/95/37/77/779953777.db2.gz LZXNLNVZPNHCHI-UHFFFAOYSA-N 0 0 298.346 2.633 20 10 CFCDRN CCCn1cc(-c2ccn(CC(C)C)c(=O)c2)cn1 ZINC001240134568 779959525 /nfs/dbraw/zinc/95/95/25/779959525.db2.gz ZZBFYYQQRFLCFN-UHFFFAOYSA-N 0 0 259.353 2.778 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2ccc3nccn3c2)n1 ZINC001240213287 779998828 /nfs/dbraw/zinc/99/88/28/779998828.db2.gz ATEYVTACFXUVKD-UHFFFAOYSA-N 0 0 263.304 2.591 20 10 CFCDRN Cc1nn(C)cc1-c1cc(N(C)c2ccccc2)ncn1 ZINC001240300992 780056743 /nfs/dbraw/zinc/05/67/43/780056743.db2.gz DNAIELDJELWLTP-UHFFFAOYSA-N 0 0 279.347 2.953 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnc3[nH]ccc3c2)n1 ZINC001240391255 780132348 /nfs/dbraw/zinc/13/23/48/780132348.db2.gz RVCZNYJPESLUSJ-UHFFFAOYSA-N 0 0 263.304 2.772 20 10 CFCDRN CCOc1ncccc1-c1ccc2ccc(=O)n(C)c2c1 ZINC001240496605 780203936 /nfs/dbraw/zinc/20/39/36/780203936.db2.gz CTJACIKUHNHXIJ-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnn(CC2CC2)c1 ZINC001240510398 780214681 /nfs/dbraw/zinc/21/46/81/780214681.db2.gz JKGPUIKTLDXEEU-UHFFFAOYSA-N 0 0 252.321 2.847 20 10 CFCDRN CN(C)c1cncc(-c2ccc3ccn(C)c3c2)n1 ZINC001240570585 780264083 /nfs/dbraw/zinc/26/40/83/780264083.db2.gz ORJKFAJRAMASGM-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Cn1ccc(-c2cnc3nc(C(F)(F)F)oc3c2)cc1=O ZINC001240989255 780576298 /nfs/dbraw/zinc/57/62/98/780576298.db2.gz VLUNWZIUZRPMNO-UHFFFAOYSA-N 0 0 295.220 2.607 20 10 CFCDRN Cc1nc2c(cccc2-c2ccn(C)c(=O)c2)s1 ZINC001240991567 780577550 /nfs/dbraw/zinc/57/75/50/780577550.db2.gz LYIKMNHSCFXXHD-UHFFFAOYSA-N 0 0 256.330 2.970 20 10 CFCDRN Cn1cnc2ncnc(C3=CCN(c4ccccc4)CC3)c21 ZINC001241337428 780792051 /nfs/dbraw/zinc/79/20/51/780792051.db2.gz BHKMZRDEIINCHV-UHFFFAOYSA-N 0 0 291.358 2.657 20 10 CFCDRN c1nc2c(ncnc2C2=CCN(c3ccccc3)CC2)[nH]1 ZINC001241338635 780792886 /nfs/dbraw/zinc/79/28/86/780792886.db2.gz PHNKBAIYGPIRHK-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN COc1cnc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241339275 780794488 /nfs/dbraw/zinc/79/44/88/780794488.db2.gz VWZGARHUKQTWTR-UHFFFAOYSA-N 0 0 267.332 2.779 20 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CCOCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703311109 781007487 /nfs/dbraw/zinc/00/74/87/781007487.db2.gz ZSRNCRHPMMEWLO-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN COCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703381563 781013021 /nfs/dbraw/zinc/01/30/21/781013021.db2.gz VEIPLNCRSFMDEB-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN COCCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703491153 781017315 /nfs/dbraw/zinc/01/73/15/781017315.db2.gz PXROTCUDSJKECO-UHFFFAOYSA-N 0 0 285.334 2.919 20 10 CFCDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCCOC1 ZINC000703518035 781018804 /nfs/dbraw/zinc/01/88/04/781018804.db2.gz ONIBFMFAWWFGEH-NSHDSACASA-N 0 0 271.307 2.671 20 10 CFCDRN Cn1ccc2ncc(-c3cnc(N)nc3C(F)(F)F)cc21 ZINC001241652988 781048482 /nfs/dbraw/zinc/04/84/82/781048482.db2.gz XHQWWXBGEGVAKK-UHFFFAOYSA-N 0 0 293.252 2.631 20 10 CFCDRN CCC(NC(=O)Cc1ccc(N)cc1)(C1CC1)C1CC1 ZINC000704650930 781107145 /nfs/dbraw/zinc/10/71/45/781107145.db2.gz VXKFUCDQKYSFRI-UHFFFAOYSA-N 0 0 272.392 2.896 20 10 CFCDRN CCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837456 781140102 /nfs/dbraw/zinc/14/01/02/781140102.db2.gz HUHBBXMKIPPWSI-NSHDSACASA-N 0 0 253.317 2.532 20 10 CFCDRN Cc1nc(C2CC[NH+](Cc3c([O-])cccc3F)CC2)no1 ZINC001137837726 781141251 /nfs/dbraw/zinc/14/12/51/781141251.db2.gz SCIIKOLSDZDMRE-UHFFFAOYSA-N 0 0 291.326 2.602 20 10 CFCDRN Cn1ccc2c1cccc2-c1ncnc2ncn(C)c21 ZINC001241819909 781142883 /nfs/dbraw/zinc/14/28/83/781142883.db2.gz XTPJHDBSKDTAOY-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN CONC(=O)c1cncc(-c2cccc3c2ccn3C)c1 ZINC001241822701 781144513 /nfs/dbraw/zinc/14/45/13/781144513.db2.gz BFTAOVZWFNVONA-UHFFFAOYSA-N 0 0 281.315 2.532 20 10 CFCDRN CC(C)n1cc(-c2cccc3c2ccn3C)ncc1=O ZINC001241823001 781144592 /nfs/dbraw/zinc/14/45/92/781144592.db2.gz JAOHFFZJMRSDDB-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000705745684 781145988 /nfs/dbraw/zinc/14/59/88/781145988.db2.gz KUWMCAFJQXARBH-NNUKFRKNSA-N 0 0 275.396 2.689 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[C@H]32)c1[O-] ZINC000707052215 781221941 /nfs/dbraw/zinc/22/19/41/781221941.db2.gz GRKRXLZJUHSMKZ-TVQRCGJNSA-N 0 0 265.740 2.842 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000707121084 781226599 /nfs/dbraw/zinc/22/65/99/781226599.db2.gz JDFITBWKBKREKO-AWEZNQCLSA-N 0 0 258.365 2.508 20 10 CFCDRN c1ccc2c(c1)CCN2c1cc(-c2ccnnc2)ncn1 ZINC001242047373 781247106 /nfs/dbraw/zinc/24/71/06/781247106.db2.gz MSYRGUBZRVKSQV-UHFFFAOYSA-N 0 0 275.315 2.628 20 10 CFCDRN CCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000708393563 781271919 /nfs/dbraw/zinc/27/19/19/781271919.db2.gz HLLRHKXKFQONMN-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000708414359 781273270 /nfs/dbraw/zinc/27/32/70/781273270.db2.gz RIOFNFPNZGTFPV-CABZTGNLSA-N 0 0 271.307 2.670 20 10 CFCDRN C[C@@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H](C)O1 ZINC000708440570 781274503 /nfs/dbraw/zinc/27/45/03/781274503.db2.gz CPIIHSSUKPCUKJ-OPRDCNLKSA-N 0 0 271.307 2.574 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCS1 ZINC000708494592 781291043 /nfs/dbraw/zinc/29/10/43/781291043.db2.gz MLNJPOZTEKZJQP-SNVBAGLBSA-N 0 0 259.321 2.656 20 10 CFCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708497372 781291241 /nfs/dbraw/zinc/29/12/41/781291241.db2.gz RSJWOWWQJGLVCJ-GFCCVEGCSA-N 0 0 284.350 2.633 20 10 CFCDRN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708534563 781292404 /nfs/dbraw/zinc/29/24/04/781292404.db2.gz AOBHYMDDRGAECH-CABZTGNLSA-N 0 0 271.307 2.718 20 10 CFCDRN C[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708534903 781292970 /nfs/dbraw/zinc/29/29/70/781292970.db2.gz GITHXILIVZMHFA-VHSXEESVSA-N 0 0 271.307 2.575 20 10 CFCDRN CN(C)c1ccccc1-c1ccc2ncc(=O)n(C)c2c1 ZINC001242185396 781317329 /nfs/dbraw/zinc/31/73/29/781317329.db2.gz NTVCZHDSELANBQ-UHFFFAOYSA-N 0 0 279.343 2.667 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C12CCC(CC1)C2 ZINC000710911114 781344515 /nfs/dbraw/zinc/34/45/15/781344515.db2.gz FDUXKKQDAYFOLU-UHFFFAOYSA-N 0 0 259.349 2.931 20 10 CFCDRN CC(=O)c1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001242405418 781470883 /nfs/dbraw/zinc/47/08/83/781470883.db2.gz ZSQJVRAJMHIWGJ-UHFFFAOYSA-N 0 0 296.248 2.675 20 10 CFCDRN CCc1ncccc1-c1ncnc2c1ccn2CCOC ZINC001242521500 781563037 /nfs/dbraw/zinc/56/30/37/781563037.db2.gz SDGNCMMMZYMIEU-UHFFFAOYSA-N 0 0 282.347 2.702 20 10 CFCDRN CCn1ccc(-c2cccnc2OC(F)F)cc1=O ZINC001242631175 781659638 /nfs/dbraw/zinc/65/96/38/781659638.db2.gz HTMPQSWXURRTRQ-UHFFFAOYSA-N 0 0 266.247 2.532 20 10 CFCDRN C/C(=C\C=C\N)c1ccc(N2CCOCC2)c(C)c1 ZINC001242882109 781821841 /nfs/dbraw/zinc/82/18/41/781821841.db2.gz FBTKCLYDUWQWNL-MVXHYVOWSA-N 0 0 258.365 2.707 20 10 CFCDRN COc1ncc(-c2ccn(CC3CC3)c(=O)c2)cc1Cl ZINC001242934108 781857257 /nfs/dbraw/zinc/85/72/57/781857257.db2.gz LYWARIIIQGRXOD-UHFFFAOYSA-N 0 0 290.750 2.982 20 10 CFCDRN CC[C@H](CC(=O)NCc1ccc(O)cc1O)C(C)C ZINC000822581061 781905346 /nfs/dbraw/zinc/90/53/46/781905346.db2.gz KRKIAXMXZPIFKA-LLVKDONJSA-N 0 0 265.353 2.786 20 10 CFCDRN C[C@H]1CC[C@@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000188582522 290617821 /nfs/dbraw/zinc/61/78/21/290617821.db2.gz LCSQNNYGZHGUDK-JSGCOSHPSA-N 0 0 276.380 2.519 20 10 CFCDRN CC[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000068411263 346851374 /nfs/dbraw/zinc/85/13/74/346851374.db2.gz HIQAJFQGSSEUQS-HNNXBMFYSA-N 0 0 278.396 2.526 20 10 CFCDRN CN(C)c1ccc(CN2CCOC3(CCC3)C2)cc1F ZINC000130510892 282289879 /nfs/dbraw/zinc/28/98/79/282289879.db2.gz PXMVJYPFHLJPOV-UHFFFAOYSA-N 0 0 278.371 2.647 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC1(C)C ZINC000158874443 282295277 /nfs/dbraw/zinc/29/52/77/282295277.db2.gz BVZXCVKGHBOIFL-LBPRGKRZSA-N 0 0 274.364 2.524 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1[C@@H]2CCC[C@H]12 ZINC000176977420 282295301 /nfs/dbraw/zinc/29/53/01/282295301.db2.gz WQAMEAOZHVQSCQ-OCZCAGDBSA-N 0 0 286.375 2.524 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCSC1 ZINC000278699241 282296718 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346472655 /nfs/dbraw/zinc/47/26/55/346472655.db2.gz MOCRGLOSADIMRK-UHFFFAOYSA-N 0 0 280.437 2.854 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCc3ccco3)ccc21 ZINC000058483284 346645092 /nfs/dbraw/zinc/64/50/92/346645092.db2.gz DFUIXIDWKJDIBN-UHFFFAOYSA-N 0 0 299.374 2.661 20 10 CFCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1F ZINC000058545346 346646229 /nfs/dbraw/zinc/64/62/29/346646229.db2.gz CPMOISVZJKBWPG-UHFFFAOYSA-N 0 0 290.298 2.807 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC ZINC000066096326 346747873 /nfs/dbraw/zinc/74/78/73/346747873.db2.gz SRGYYIZWIIBOMR-GFCCVEGCSA-N 0 0 265.353 2.556 20 10 CFCDRN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)cc1 ZINC000091485357 347590680 /nfs/dbraw/zinc/59/06/80/347590680.db2.gz ARYDMJKSXQFEHQ-UHFFFAOYSA-N 0 0 274.276 2.661 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCC2 ZINC000675335838 539861269 /nfs/dbraw/zinc/86/12/69/539861269.db2.gz VQKWFPLQNZRUIB-CYBMUJFWSA-N 0 0 286.375 2.668 20 10 CFCDRN CCC1(CC)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000294397959 199025115 /nfs/dbraw/zinc/02/51/15/199025115.db2.gz NBWPHGSYZRKIPZ-SOFGYWHQSA-N 0 0 275.348 2.760 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294500227 199063028 /nfs/dbraw/zinc/06/30/28/199063028.db2.gz BMHXLKFWBFJJKZ-VMZHVLLKSA-N 0 0 273.735 2.601 20 10 CFCDRN CC(C)(CO)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000294780600 199179381 /nfs/dbraw/zinc/17/93/81/199179381.db2.gz LBAYTHSQTGKYSH-UHFFFAOYSA-N 0 0 257.761 2.544 20 10 CFCDRN CCC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000297071927 200077367 /nfs/dbraw/zinc/07/73/67/200077367.db2.gz CQEXWDFBZWJUBP-UHFFFAOYSA-N 0 0 285.391 2.805 20 10 CFCDRN C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(F)c(F)c1[O-] ZINC000281155242 299296139 /nfs/dbraw/zinc/29/61/39/299296139.db2.gz OTFKGMWKZFAMDT-NSHDSACASA-N 0 0 282.334 2.583 20 10 CFCDRN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276981459 296008265 /nfs/dbraw/zinc/00/82/65/296008265.db2.gz VXKZUBSTIUBROA-UWVGGRQHSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@H]([NH2+]Cc1nccs1)c1ccc(F)c(F)c1[O-] 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CCn1cc(NCc2cccc(Cl)c2O)cn1 ZINC000124864313 377096357 /nfs/dbraw/zinc/09/63/57/377096357.db2.gz PCATWIQNFHDFCB-UHFFFAOYSA-N 0 0 251.717 2.874 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]2CCCC[C@H]21 ZINC000126269730 377218460 /nfs/dbraw/zinc/21/84/60/377218460.db2.gz QGDHUQFGVXWHQZ-DGCLKSJQSA-N 0 0 275.348 2.893 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H]1C1CCCC1 ZINC000126362542 377223611 /nfs/dbraw/zinc/22/36/11/377223611.db2.gz GYZQNBAAALHFPX-ZDUSSCGKSA-N 0 0 275.348 2.893 20 10 CFCDRN CCC1(CC)CCN(C(=O)c2cccc(O)c2O)C1 ZINC000126481909 377230790 /nfs/dbraw/zinc/23/07/90/377230790.db2.gz FOFBMDJBSBJWOF-UHFFFAOYSA-N 0 0 263.337 2.750 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1ccccc1O ZINC000128064597 377315665 /nfs/dbraw/zinc/31/56/65/377315665.db2.gz FPGRDYLIYQVIJY-SUFBMKPHSA-N 0 0 269.410 2.590 20 10 CFCDRN CC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000127378241 377277638 /nfs/dbraw/zinc/27/76/38/377277638.db2.gz ZCNUIPRJZZQSDJ-JTQLQIEISA-N 0 0 278.179 2.950 20 10 CFCDRN 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CCCN(Cc1ccccc1O)C(=O)c1cccc(F)n1 ZINC000150897990 378280064 /nfs/dbraw/zinc/28/00/64/378280064.db2.gz ZBOXWHLIQKQMNL-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000151378798 378321689 /nfs/dbraw/zinc/32/16/89/378321689.db2.gz VTAMAKZYCYWIPF-GFCCVEGCSA-N 0 0 291.391 2.702 20 10 CFCDRN CCOc1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1C ZINC000153378537 378487590 /nfs/dbraw/zinc/48/75/90/378487590.db2.gz PNFORIMNHBALEL-ZHACJKMWSA-N 0 0 299.374 2.803 20 10 CFCDRN CCCC[C@H](NCc1cccc(OCC)c1O)C(=O)OC ZINC000154535775 378577994 /nfs/dbraw/zinc/57/79/94/378577994.db2.gz XLUOYDZIYVBAAF-ZDUSSCGKSA-N 0 0 295.379 2.612 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000175243730 380026808 /nfs/dbraw/zinc/02/68/08/380026808.db2.gz XDGXZMYDJZVCJP-ZDUSSCGKSA-N 0 0 272.392 2.949 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C=O)[nH]2)cc1 ZINC000175648885 380107454 /nfs/dbraw/zinc/10/74/54/380107454.db2.gz DFIFBZZEMVCFJK-UHFFFAOYSA-N 0 0 299.374 2.603 20 10 CFCDRN CCOC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000529665596 383743847 /nfs/dbraw/zinc/74/38/47/383743847.db2.gz HHSRDPAGIRBNCN-AWEZNQCLSA-N 0 0 299.798 2.591 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(Cl)n2C)cc1F ZINC000177068058 380301014 /nfs/dbraw/zinc/30/10/14/380301014.db2.gz HDZGJQJAYHYZDD-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN CCNc1nc(C(=O)N(C)Cc2ccccc2O)cs1 ZINC000177077495 380302429 /nfs/dbraw/zinc/30/24/29/380302429.db2.gz AALYIRRSLYHWPR-UHFFFAOYSA-N 0 0 291.376 2.553 20 10 CFCDRN CC[C@H](C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178192231 380419588 /nfs/dbraw/zinc/41/95/88/380419588.db2.gz VSEMQTMCFZPDCJ-ZDUSSCGKSA-N 0 0 276.380 2.580 20 10 CFCDRN CN1CCCN(C(=O)Cc2ccc(N)cc2)c2ccccc21 ZINC000178799048 380486191 /nfs/dbraw/zinc/48/61/91/380486191.db2.gz OZZPXDKPXLVXDG-UHFFFAOYSA-N 0 0 295.386 2.684 20 10 CFCDRN Nc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178511400 380460135 /nfs/dbraw/zinc/46/01/35/380460135.db2.gz YJGFUXSMXTYVDD-UHFFFAOYSA-N 0 0 295.386 2.799 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCO2)cc1 ZINC000178509436 380460293 /nfs/dbraw/zinc/46/02/93/380460293.db2.gz ICKCGEMSKDYIQI-MRXNPFEDSA-N 0 0 290.407 2.718 20 10 CFCDRN C[C@H](COCc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC000178607534 380469502 /nfs/dbraw/zinc/46/95/02/380469502.db2.gz JVHVNWJMIFGYLW-CQSZACIVSA-N 0 0 298.386 2.533 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000178617146 380469798 /nfs/dbraw/zinc/46/97/98/380469798.db2.gz KNNOCSDZHRHLJN-RYUDHWBXSA-N 0 0 293.386 2.832 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2occc21 ZINC000180630358 380684878 /nfs/dbraw/zinc/68/48/78/380684878.db2.gz ZHBAKKJQCZTIMX-VUDGCMKMSA-N 0 0 299.326 2.898 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C ZINC000181297384 380772398 /nfs/dbraw/zinc/77/23/98/380772398.db2.gz SIKFVZYNBJFBEA-SJCWFQRBSA-N 0 0 275.348 2.616 20 10 CFCDRN CC[C@@H](C)CN(CC)C(=O)c1c(F)ccc(O)c1O ZINC000295350079 380804278 /nfs/dbraw/zinc/80/42/78/380804278.db2.gz QICGJNDXQGVPSB-SECBINFHSA-N 0 0 269.316 2.745 20 10 CFCDRN CC[N@H+](CCC(=O)OC)Cc1cc(Cl)c(F)cc1[O-] ZINC000295415921 380838352 /nfs/dbraw/zinc/83/83/52/380838352.db2.gz RYPSMKARJRANSZ-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN Cc1ccc(O)c(CNCc2noc3c2CCCC3)c1 ZINC000288453062 381013781 /nfs/dbraw/zinc/01/37/81/381013781.db2.gz NDAXOIJEIGVZJE-UHFFFAOYSA-N 0 0 272.348 2.857 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)COC(C)(C)C ZINC000182202359 381018194 /nfs/dbraw/zinc/01/81/94/381018194.db2.gz OIFFFAKBWJMXIF-UHFFFAOYSA-N 0 0 279.380 2.946 20 10 CFCDRN CC(C)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295661167 381001397 /nfs/dbraw/zinc/00/13/97/381001397.db2.gz FBDGBHBDMYVIQX-LBPRGKRZSA-N 0 0 279.380 2.971 20 10 CFCDRN CCN(Cc1cnns1)c1ccc(OC)c(OC)c1 ZINC000295737753 381045227 /nfs/dbraw/zinc/04/52/27/381045227.db2.gz XOBOLMAIEKUUGZ-UHFFFAOYSA-N 0 0 279.365 2.582 20 10 CFCDRN CC(C)OCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000182492972 381098906 /nfs/dbraw/zinc/09/89/06/381098906.db2.gz BOZLVRGDMPJSNZ-UHFFFAOYSA-N 0 0 296.386 2.713 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1 ZINC000182515392 381104571 /nfs/dbraw/zinc/10/45/71/381104571.db2.gz YJRAZRVDGHNOLV-UHFFFAOYSA-N 0 0 275.179 2.563 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c(O)c1O ZINC000182579892 381113738 /nfs/dbraw/zinc/11/37/38/381113738.db2.gz ZJTJSMYDBOFCRM-JTQLQIEISA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c(O)c1O ZINC000182378506 381077999 /nfs/dbraw/zinc/07/79/99/381077999.db2.gz SPGWRLFMJWPPJM-GHMZBOCLSA-N 0 0 263.337 2.809 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c(O)c1O ZINC000182891185 381179270 /nfs/dbraw/zinc/17/92/70/381179270.db2.gz SFZWAKBQTYJGRE-WDEREUQCSA-N 0 0 277.364 2.914 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000296015245 381211138 /nfs/dbraw/zinc/21/11/38/381211138.db2.gz RKEVXNCITCVFSP-BIIVOSGPSA-N 0 0 276.163 2.873 20 10 CFCDRN Oc1cccc2c1[C@H]([NH2+]CCc1cccnc1)CC2 ZINC000296072451 381243770 /nfs/dbraw/zinc/24/37/70/381243770.db2.gz SEJIIDZPWGLILE-CQSZACIVSA-N 0 0 254.333 2.607 20 10 CFCDRN CC(C)[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183420958 381270143 /nfs/dbraw/zinc/27/01/43/381270143.db2.gz CROIFYXSKJGAIA-NEPJUHHUSA-N 0 0 279.380 2.827 20 10 CFCDRN CCc1nnc(CNCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000296089118 381250468 /nfs/dbraw/zinc/25/04/68/381250468.db2.gz RCMUNTHTBURMIZ-UHFFFAOYSA-N 0 0 299.422 2.647 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]n1 ZINC000183621638 381295048 /nfs/dbraw/zinc/29/50/48/381295048.db2.gz ANEPZKSBWRDJBH-CMPLNLGQSA-N 0 0 259.353 2.706 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000296306998 381340818 /nfs/dbraw/zinc/34/08/18/381340818.db2.gz GEGZWUWUSMVINU-LDYMZIIASA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000290128316 381311471 /nfs/dbraw/zinc/31/14/71/381311471.db2.gz JUEIOVSBWDUSGG-TVQRCGJNSA-N 0 0 285.334 2.872 20 10 CFCDRN CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])OC ZINC000290266659 381364969 /nfs/dbraw/zinc/36/49/69/381364969.db2.gz VTSOXHPNAVCGTK-IUCAKERBSA-N 0 0 259.296 2.746 20 10 CFCDRN CC(C)c1ncc(C(=O)NCc2ccc(N)cc2)s1 ZINC000296813644 381545330 /nfs/dbraw/zinc/54/53/30/381545330.db2.gz AAYAOOGQOBKXJD-UHFFFAOYSA-N 0 0 275.377 2.779 20 10 CFCDRN COc1ccc(C(C)(C)C(=O)NCc2ccc(N)cc2)cc1 ZINC000296858189 381546579 /nfs/dbraw/zinc/54/65/79/381546579.db2.gz CZDMVURQLKYSOS-UHFFFAOYSA-N 0 0 298.386 2.871 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C ZINC000296980411 381548716 /nfs/dbraw/zinc/54/87/16/381548716.db2.gz FGNCKUAXBUPLEB-KGLIPLIRSA-N 0 0 287.407 2.837 20 10 CFCDRN CCCc1nc(C)c(C(=O)NCc2ccc(N)cc2)s1 ZINC000297110436 381551537 /nfs/dbraw/zinc/55/15/37/381551537.db2.gz FTFKPKZQOBOXET-UHFFFAOYSA-N 0 0 289.404 2.916 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N(C)CCF)cc1F ZINC000297188610 381553660 /nfs/dbraw/zinc/55/36/60/381553660.db2.gz KASVCHIIOMJTMM-UHFFFAOYSA-N 0 0 299.365 2.783 20 10 CFCDRN Nc1ccc(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000297253707 381554424 /nfs/dbraw/zinc/55/44/24/381554424.db2.gz QXTQZBHKSWMMJS-MJGOQNOKSA-N 0 0 292.382 2.789 20 10 CFCDRN CCOc1ccc(O)c(CN2CCC[C@@H]2c2ncon2)c1 ZINC000371376696 381604172 /nfs/dbraw/zinc/60/41/72/381604172.db2.gz ZHZAEMLESJGIPV-CYBMUJFWSA-N 0 0 289.335 2.511 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2cccnc2)C2CC2)cc1 ZINC000298420696 381618840 /nfs/dbraw/zinc/61/88/40/381618840.db2.gz ZJWARHFZPBMAOW-UHFFFAOYSA-N 0 0 295.386 2.952 20 10 CFCDRN CCCCOCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348632244 381648728 /nfs/dbraw/zinc/64/87/28/381648728.db2.gz CVHYTAYSWVEPGY-UHFFFAOYSA-N 0 0 288.391 2.920 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185481943 381646557 /nfs/dbraw/zinc/64/65/57/381646557.db2.gz YPTNUAQXLIKBGK-PWSUYJOCSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371876250 381716278 /nfs/dbraw/zinc/71/62/78/381716278.db2.gz KURUDUNWRRSCJY-UHFFFAOYSA-N 0 0 273.380 2.570 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cncnc2C)cc1 ZINC000298661287 381701674 /nfs/dbraw/zinc/70/16/74/381701674.db2.gz HIRAPUOGCURQHM-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN Cn1cc(NCc2cc(F)ccc2O)c(-c2ccccn2)n1 ZINC000371793732 381703076 /nfs/dbraw/zinc/70/30/76/381703076.db2.gz AGKDCDQDFVPDPT-UHFFFAOYSA-N 0 0 298.321 2.939 20 10 CFCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000298713223 381721659 /nfs/dbraw/zinc/72/16/59/381721659.db2.gz KWJBRRZOWICIHB-UHFFFAOYSA-N 0 0 286.379 2.609 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000186085991 381821707 /nfs/dbraw/zinc/82/17/07/381821707.db2.gz YZPFWBTYUSQOGI-ZYHUDNBSSA-N 0 0 294.370 2.581 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000186130780 381829499 /nfs/dbraw/zinc/82/94/99/381829499.db2.gz DLFSBCXXOOPGER-ONGXEEELSA-N 0 0 277.343 2.845 20 10 CFCDRN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000186130812 381830170 /nfs/dbraw/zinc/83/01/70/381830170.db2.gz DLFSBCXXOOPGER-GXSJLCMTSA-N 0 0 277.343 2.845 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000186130767 381830491 /nfs/dbraw/zinc/83/04/91/381830491.db2.gz DLFSBCXXOOPGER-KOLCDFICSA-N 0 0 277.343 2.845 20 10 CFCDRN CC1(C)C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299028126 381802587 /nfs/dbraw/zinc/80/25/87/381802587.db2.gz IMVGZKUQEUHNRA-OAHLLOKOSA-N 0 0 287.407 2.885 20 10 CFCDRN CN(C)c1ccc(CN(C)c2cncc(Cl)n2)cc1 ZINC000299079831 381817689 /nfs/dbraw/zinc/81/76/89/381817689.db2.gz RJZVJFHYMOZYEJ-UHFFFAOYSA-N 0 0 276.771 2.832 20 10 CFCDRN C[C@@H]1CC2(CCC2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000372891254 381884182 /nfs/dbraw/zinc/88/41/82/381884182.db2.gz MGABTASPRZBWTL-FVOPLDGLSA-N 0 0 287.359 2.902 20 10 CFCDRN C[C@H]([NH2+]CCCCCCO)c1ccc(F)cc1[O-] ZINC000186231180 381860162 /nfs/dbraw/zinc/86/01/62/381860162.db2.gz BJTHDRXGWZUZIW-NSHDSACASA-N 0 0 255.333 2.735 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCC(C)=O)cc1 ZINC000299212532 381860432 /nfs/dbraw/zinc/86/04/32/381860432.db2.gz GOPHNWYDRRGSPG-UHFFFAOYSA-N 0 0 276.380 2.518 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000186415119 381905741 /nfs/dbraw/zinc/90/57/41/381905741.db2.gz SKQWPGUUBPJHNI-AVGNSLFASA-N 0 0 291.391 2.971 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)c1O ZINC000186458269 381916803 /nfs/dbraw/zinc/91/68/03/381916803.db2.gz VEFRKMBWVBPVNG-MLGOLLRUSA-N 0 0 277.364 2.699 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC12CCCCC2 ZINC000373064204 381920568 /nfs/dbraw/zinc/92/05/68/381920568.db2.gz UUDMTGOHXPZKFN-UHFFFAOYSA-N 0 0 261.321 2.647 20 10 CFCDRN Cc1c([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cnn1C ZINC000373153563 381937457 /nfs/dbraw/zinc/93/74/57/381937457.db2.gz MKJQJIVALMRUOG-HNNXBMFYSA-N 0 0 271.364 2.771 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(F)F ZINC000350090445 382005709 /nfs/dbraw/zinc/00/57/09/382005709.db2.gz DZEUJESAYOLGDL-UHFFFAOYSA-N 0 0 281.306 2.551 20 10 CFCDRN COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000375252478 382073119 /nfs/dbraw/zinc/07/31/19/382073119.db2.gz IPMIPJOUEMTUAU-BLLLJJGKSA-N 0 0 277.364 2.574 20 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CFCDRN CC[C@H]1[C@@H](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000187443395 382184629 /nfs/dbraw/zinc/18/46/29/382184629.db2.gz DOILBBLGVZEAFP-FXOGGVSJSA-N 0 0 275.348 2.758 20 10 CFCDRN CCCN(Cc1ccccc1O)c1nccc(C)n1 ZINC000301796261 382194710 /nfs/dbraw/zinc/19/47/10/382194710.db2.gz YSCVUHSTEWLGOM-UHFFFAOYSA-N 0 0 257.337 2.907 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000293615787 382197090 /nfs/dbraw/zinc/19/70/90/382197090.db2.gz KIVVFWUSJBSEQB-GFCCVEGCSA-N 0 0 255.745 2.560 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3CC(C4CCC4)C3)ccc21 ZINC000376993758 382200473 /nfs/dbraw/zinc/20/04/73/382200473.db2.gz NDDAFUNTWGSMQT-UHFFFAOYSA-N 0 0 299.418 2.620 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCCCCO ZINC000293626613 382203127 /nfs/dbraw/zinc/20/31/27/382203127.db2.gz MXGDTSXSYWQWHW-UHFFFAOYSA-N 0 0 275.751 2.827 20 10 CFCDRN COc1ccc(O)c(CNc2nc(C)nc(C)c2C)c1 ZINC000301712005 382188741 /nfs/dbraw/zinc/18/87/41/382188741.db2.gz YDQSLXBWGTVVMI-UHFFFAOYSA-N 0 0 273.336 2.728 20 10 CFCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000187700035 382251774 /nfs/dbraw/zinc/25/17/74/382251774.db2.gz KFAMBDBPLDCKNF-ZYHUDNBSSA-N 0 0 263.337 2.540 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)COC(C)C)cc1 ZINC000144608199 781974432 /nfs/dbraw/zinc/97/44/32/781974432.db2.gz KCGMYGLRQLFKLT-UHFFFAOYSA-N 0 0 278.396 2.574 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000293842675 382301351 /nfs/dbraw/zinc/30/13/51/382301351.db2.gz WYTISIPCRSOSEJ-LBPRGKRZSA-N 0 0 297.370 2.625 20 10 CFCDRN COc1ccc(N(C)Cc2c(Cl)cnn2C)cc1F ZINC000188341218 382396105 /nfs/dbraw/zinc/39/61/05/382396105.db2.gz CBEMLJAYXRUTOI-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCC[C@@H]1O ZINC000294118640 382422530 /nfs/dbraw/zinc/42/25/30/382422530.db2.gz GFXQIMVADHTABP-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3cscn3)C2)cc1 ZINC000378369372 382447845 /nfs/dbraw/zinc/44/78/45/382447845.db2.gz KCWZROCYIYUXKB-UHFFFAOYSA-N 0 0 299.399 2.749 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)c(O)c1O ZINC000294150683 382436115 /nfs/dbraw/zinc/43/61/15/382436115.db2.gz UVFBAQWLQCGAKP-AWEZNQCLSA-N 0 0 277.364 2.913 20 10 CFCDRN COc1cccc(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000378340992 382441029 /nfs/dbraw/zinc/44/10/29/382441029.db2.gz JJTJSFKCCLGIKH-INIZCTEOSA-N 0 0 299.370 2.974 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378371896 382449739 /nfs/dbraw/zinc/44/97/39/382449739.db2.gz AIBBFVNHBRACCI-NWANDNLSSA-N 0 0 261.365 2.638 20 10 CFCDRN COc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000294202622 382458095 /nfs/dbraw/zinc/45/80/95/382458095.db2.gz XWBQMFORMHLKFC-SJORKVTESA-N 0 0 289.375 2.544 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000378496853 382472527 /nfs/dbraw/zinc/47/25/27/382472527.db2.gz NQYOCPHSSLIONM-NSHDSACASA-N 0 0 275.327 2.634 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000378538098 382478987 /nfs/dbraw/zinc/47/89/87/382478987.db2.gz ZZKJCYBEOINOKU-BXUZGUMPSA-N 0 0 280.799 2.572 20 10 CFCDRN Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000378617603 382491931 /nfs/dbraw/zinc/49/19/31/382491931.db2.gz BEPUDEKXRZJMGG-STQMWFEESA-N 0 0 271.364 2.563 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccsn1 ZINC000294670718 382524240 /nfs/dbraw/zinc/52/42/40/382524240.db2.gz JBLXCZVZFLFTIZ-UHFFFAOYSA-N 0 0 289.404 2.871 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC2(F)F)cc1 ZINC000294463353 382514542 /nfs/dbraw/zinc/51/45/42/382514542.db2.gz MWVXBGJKHFEYKE-ZDUSSCGKSA-N 0 0 282.334 2.804 20 10 CFCDRN c1cn2c(n1)[C@@H](NCc1ccc(N3CCCC3)cc1)CC2 ZINC000295153525 382577854 /nfs/dbraw/zinc/57/78/54/382577854.db2.gz RHMRVYXAGQOONL-INIZCTEOSA-N 0 0 282.391 2.718 20 10 CFCDRN O=C(NCc1ccccc1O)C1(C(F)(F)F)CCC1 ZINC000295285550 382608338 /nfs/dbraw/zinc/60/83/38/382608338.db2.gz PTQJXCFAWCPZEO-UHFFFAOYSA-N 0 0 273.254 2.741 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c(Cl)cnn1C ZINC000189505645 382617622 /nfs/dbraw/zinc/61/76/22/382617622.db2.gz PRGXYBKAUZCRFR-UHFFFAOYSA-N 0 0 277.755 2.645 20 10 CFCDRN Cc1csc([C@H]2COCCN2Cc2ccccc2O)n1 ZINC000190404044 382666321 /nfs/dbraw/zinc/66/63/21/382666321.db2.gz MCAJAVMHQALKSC-CYBMUJFWSA-N 0 0 290.388 2.731 20 10 CFCDRN Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000211719897 382775333 /nfs/dbraw/zinc/77/53/33/382775333.db2.gz YMYKLAYIWMXHGW-TXEJJXNPSA-N 0 0 298.180 2.518 20 10 CFCDRN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1[O-] ZINC000248499026 383251264 /nfs/dbraw/zinc/25/12/64/383251264.db2.gz MLUSSKOYHZEIFV-LZVXQISVSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(F)ccc1O ZINC000248526214 383253781 /nfs/dbraw/zinc/25/37/81/383253781.db2.gz UWJTVBDWXBNCNB-YZENIEGJSA-N 0 0 279.355 2.995 20 10 CFCDRN CCn1ccc(C(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000567927160 383333356 /nfs/dbraw/zinc/33/33/56/383333356.db2.gz WFJXLGHELIIPTP-UHFFFAOYSA-N 0 0 296.374 2.633 20 10 CFCDRN CC(C)SCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000525217464 383400021 /nfs/dbraw/zinc/40/00/21/383400021.db2.gz QRAVMEKVKDPELS-UHFFFAOYSA-N 0 0 294.420 2.620 20 10 CFCDRN CN(C)c1ccc(CNCc2ncc(Cl)n2C)cc1F ZINC000264960705 383807893 /nfs/dbraw/zinc/80/78/93/383807893.db2.gz OAYNSZRKGGGKRG-UHFFFAOYSA-N 0 0 296.777 2.568 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(O)c1 ZINC000264825648 383787123 /nfs/dbraw/zinc/78/71/23/383787123.db2.gz IEWVOPDVQIXQDP-UHFFFAOYSA-N 0 0 299.374 2.516 20 10 CFCDRN CCN(CCCCCO)c1ccc(OC)c(OC)c1 ZINC000266629774 384211072 /nfs/dbraw/zinc/21/10/72/384211072.db2.gz IQBYZMQIZLPSPV-UHFFFAOYSA-N 0 0 267.369 2.693 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCO2)cc1 ZINC000267924655 384490551 /nfs/dbraw/zinc/49/05/51/384490551.db2.gz BPIFZDJKFRBQSC-KRWDZBQOSA-N 0 0 290.407 2.718 20 10 CFCDRN CC[C@H](N[C@H](C)c1nncn1C)c1ccc(N(C)C)cc1 ZINC000268833975 384672865 /nfs/dbraw/zinc/67/28/65/384672865.db2.gz CVVTVQICCAFOGB-DOMZBBRYSA-N 0 0 287.411 2.683 20 10 CFCDRN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCc1ccccc1O ZINC000269120290 384727826 /nfs/dbraw/zinc/72/78/26/384727826.db2.gz FREIUDRHKLUVFH-UGSOOPFHSA-N 0 0 299.370 2.563 20 10 CFCDRN CN1CCCc2cc(CNc3ncc(F)cn3)ccc21 ZINC000269452866 384759260 /nfs/dbraw/zinc/75/92/60/384759260.db2.gz DYRNAZQFGAZAAX-UHFFFAOYSA-N 0 0 272.327 2.610 20 10 CFCDRN Cc1nonc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269458275 384759880 /nfs/dbraw/zinc/75/98/80/384759880.db2.gz HJXNDVSUUDMQJO-UHFFFAOYSA-N 0 0 288.395 2.855 20 10 CFCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccccc1O ZINC000269952989 384917147 /nfs/dbraw/zinc/91/71/47/384917147.db2.gz SABWOOYEHJCPLM-SNVBAGLBSA-N 0 0 288.347 2.807 20 10 CFCDRN CC[C@](C)(OC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000281443659 385196014 /nfs/dbraw/zinc/19/60/14/385196014.db2.gz KHVKALMAVRPJKR-KRWDZBQOSA-N 0 0 291.391 2.702 20 10 CFCDRN CCCC[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000282722717 385376891 /nfs/dbraw/zinc/37/68/91/385376891.db2.gz LQTGGRFCVUBAPA-NWDGAFQWSA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271883791 385395001 /nfs/dbraw/zinc/39/50/01/385395001.db2.gz RNIQNTBSNQOAPY-UKRRQHHQSA-N 0 0 290.407 2.526 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)OC[C@@H]2CCCO2)cc1 ZINC000283499794 385470595 /nfs/dbraw/zinc/47/05/95/385470595.db2.gz JICGVKCZAWGGDF-HNNXBMFYSA-N 0 0 292.379 2.500 20 10 CFCDRN CC(C)c1ccoc1C(=O)NCc1ccc(O)c(O)c1 ZINC000285233849 385552489 /nfs/dbraw/zinc/55/24/89/385552489.db2.gz KTZRXXSDAWFTBN-UHFFFAOYSA-N 0 0 275.304 2.744 20 10 CFCDRN COc1cccc(CNC(=O)c2cc[nH]c2C2CC2)c1O ZINC000285246215 385554096 /nfs/dbraw/zinc/55/40/96/385554096.db2.gz LILJVNOZVWYGKM-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285744758 385556937 /nfs/dbraw/zinc/55/69/37/385556937.db2.gz RHZGJCHETIMTKM-DGCLKSJQSA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000285939581 385558455 /nfs/dbraw/zinc/55/84/55/385558455.db2.gz FQWFRBYSSHJJPE-GYSYKLTISA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccc(F)cc1[O-] ZINC000285916621 385558537 /nfs/dbraw/zinc/55/85/37/385558537.db2.gz DNUSLIZSWRFONB-GFCCVEGCSA-N 0 0 279.315 2.506 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)CCCO)c1ccc(F)cc1[O-] ZINC000285920686 385558618 /nfs/dbraw/zinc/55/86/18/385558618.db2.gz DTROSAAGTXEACO-GWCFXTLKSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)cc1[O-] ZINC000285996485 385558812 /nfs/dbraw/zinc/55/88/12/385558812.db2.gz IIORXSCAIIBSKO-GWCFXTLKSA-N 0 0 254.349 2.522 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286191194 385569538 /nfs/dbraw/zinc/56/95/38/385569538.db2.gz QUUOQMFYFBJZAC-CLDOCUBWSA-N 0 0 267.344 2.899 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1[O-] ZINC000286370943 385601036 /nfs/dbraw/zinc/60/10/36/385601036.db2.gz ZOQXXKYEDJYHDU-ZKYQVNSYSA-N 0 0 265.328 2.509 20 10 CFCDRN CC[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)cc1[O-] ZINC000286375698 385601358 /nfs/dbraw/zinc/60/13/58/385601358.db2.gz ALEKBQYVSZNEHW-ZDUSSCGKSA-N 0 0 283.343 2.725 20 10 CFCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272767900 385608720 /nfs/dbraw/zinc/60/87/20/385608720.db2.gz GZOIIWFDDMZBGZ-CZUORRHYSA-N 0 0 291.391 2.850 20 10 CFCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272767899 385608736 /nfs/dbraw/zinc/60/87/36/385608736.db2.gz GZOIIWFDDMZBGZ-CJNGLKHVSA-N 0 0 291.391 2.850 20 10 CFCDRN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000273350613 385676416 /nfs/dbraw/zinc/67/64/16/385676416.db2.gz BOYCXSGRCMNUSC-ABAIWWIYSA-N 0 0 281.371 2.979 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364241 385679592 /nfs/dbraw/zinc/67/95/92/385679592.db2.gz BADJEECKBDOERG-VHSXEESVSA-N 0 0 282.365 2.847 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000273536889 385687267 /nfs/dbraw/zinc/68/72/67/385687267.db2.gz XMLFPVKVDQTSPX-YZRBJQDESA-N 0 0 263.337 2.628 20 10 CFCDRN CCCCOCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273564510 385689086 /nfs/dbraw/zinc/68/90/86/385689086.db2.gz IZRGFFOLHYHFKG-GFCCVEGCSA-N 0 0 295.379 2.646 20 10 CFCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccccc1O ZINC000274397164 385785163 /nfs/dbraw/zinc/78/51/63/385785163.db2.gz POXBVVWGEKKEJS-CZUORRHYSA-N 0 0 291.391 2.994 20 10 CFCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccccc1O ZINC000274397161 385785546 /nfs/dbraw/zinc/78/55/46/385785546.db2.gz POXBVVWGEKKEJS-CJNGLKHVSA-N 0 0 291.391 2.994 20 10 CFCDRN CCOc1ccc(N(CC)CCC2OCCO2)cc1 ZINC000274439297 385798678 /nfs/dbraw/zinc/79/86/78/385798678.db2.gz IQPNFWMWMJDKRM-UHFFFAOYSA-N 0 0 265.353 2.675 20 10 CFCDRN C[C@H]([NH2+]CC1=CCCOC1)c1cc(F)ccc1O ZINC000287210024 385804796 /nfs/dbraw/zinc/80/47/96/385804796.db2.gz WWODEAJAINBEHM-JTQLQIEISA-N 0 0 251.301 2.529 20 10 CFCDRN CC/C=C(\C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372308270 393446707 /nfs/dbraw/zinc/44/67/07/393446707.db2.gz IVGOEGXDIUWJQX-LFYBBSHMSA-N 0 0 258.365 2.651 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N2CC(n3cc(C)cn3)C2)c1 ZINC000372490179 393451272 /nfs/dbraw/zinc/45/12/72/393451272.db2.gz JNTGDIZPHGCSSO-GFCCVEGCSA-N 0 0 287.363 2.524 20 10 CFCDRN COc1ccc(N(CC(=O)NC(C)C)[C@H](C)C2CC2)cc1 ZINC000109774288 393879354 /nfs/dbraw/zinc/87/93/54/393879354.db2.gz ARGVLJGBFDTWTC-CYBMUJFWSA-N 0 0 290.407 2.825 20 10 CFCDRN CC(C)CCOCC[N@H+](C)Cc1ccccc1O ZINC000120766278 393940883 /nfs/dbraw/zinc/94/08/83/393940883.db2.gz MZQMMBDWUBDJJG-UHFFFAOYSA-N 0 0 251.370 2.887 20 10 CFCDRN Cc1cc(CC(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000348703500 393956442 /nfs/dbraw/zinc/95/64/42/393956442.db2.gz DUUKUSKYTWTPRO-UHFFFAOYSA-N 0 0 297.358 2.642 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccoc1 ZINC000348706586 393956574 /nfs/dbraw/zinc/95/65/74/393956574.db2.gz ORIRWQPWDQWEDH-UHFFFAOYSA-N 0 0 282.343 2.939 20 10 CFCDRN COc1ccc(N(C)Cc2nc([C@H](C)OC)no2)cc1F ZINC000121717502 393959465 /nfs/dbraw/zinc/95/94/65/393959465.db2.gz MZQCFSIKBXVDKY-VIFPVBQESA-N 0 0 295.314 2.561 20 10 CFCDRN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)C1CCCC1 ZINC000122448560 393968822 /nfs/dbraw/zinc/96/88/22/393968822.db2.gz BNLREMFUDNTYJN-UHFFFAOYSA-N 0 0 291.391 2.973 20 10 CFCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000122829967 393972197 /nfs/dbraw/zinc/97/21/97/393972197.db2.gz VDAKKYHARCXNKA-GFCCVEGCSA-N 0 0 293.386 2.833 20 10 CFCDRN Cc1cc(CN(C)Cc2c(O)cccc2Cl)no1 ZINC000122936592 393974145 /nfs/dbraw/zinc/97/41/45/393974145.db2.gz HDZNVTMTGSJOMA-UHFFFAOYSA-N 0 0 266.728 2.974 20 10 CFCDRN COc1c([O-])c(C[N@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278238597 394060607 /nfs/dbraw/zinc/06/06/07/394060607.db2.gz NNUNSXQDASUTRA-SNVBAGLBSA-N 0 0 282.340 2.785 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2scnc2C)nc1 ZINC000492682927 394074370 /nfs/dbraw/zinc/07/43/70/394074370.db2.gz QOCDBKOYSSZQBS-FNORWQNLSA-N 0 0 289.360 2.531 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCOCc2ccccc21 ZINC000492683285 394075024 /nfs/dbraw/zinc/07/50/24/394075024.db2.gz VOKDKRCGDDAXDH-AATRIKPKSA-N 0 0 298.317 2.797 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCOCc2ccccc21 ZINC000492733928 394075564 /nfs/dbraw/zinc/07/55/64/394075564.db2.gz ISGZWDVZPZJRET-FPLPWBNLSA-N 0 0 280.327 2.658 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CCC2)c2ccccc21 ZINC000492856314 394082530 /nfs/dbraw/zinc/08/25/30/394082530.db2.gz BQTMEYWQCNIPGP-SREVYHEPSA-N 0 0 279.343 2.891 20 10 CFCDRN CC(C)(C)OC(=O)CCSc1ncc([N+](=O)[O-])s1 ZINC000281920195 394094922 /nfs/dbraw/zinc/09/49/22/394094922.db2.gz NYWMLAYLQAHJBT-UHFFFAOYSA-N 0 0 290.366 2.875 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000272562162 394030671 /nfs/dbraw/zinc/03/06/71/394030671.db2.gz CCRHVDFFPSMDPT-WBIIUDBISA-N 0 0 275.348 2.758 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCc2cc(F)ccc21 ZINC000493167921 394167645 /nfs/dbraw/zinc/16/76/45/394167645.db2.gz QPGLILWLGBZYTF-DAFODLJHSA-N 0 0 286.281 2.962 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C)CO)c1cccc(Cl)c1[O-] ZINC000287850861 394209646 /nfs/dbraw/zinc/20/96/46/394209646.db2.gz WTTALXHHSQECHP-JOYOIKCWSA-N 0 0 257.761 2.715 20 10 CFCDRN COc1ccc(N(C)C(=O)C=Cc2c[nH]cn2)cc1Cl ZINC000493422726 394238677 /nfs/dbraw/zinc/23/86/77/394238677.db2.gz AHNWMHULOAJWJU-UTCJRWHESA-N 0 0 291.738 2.748 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(F)F ZINC000295028498 394296239 /nfs/dbraw/zinc/29/62/39/394296239.db2.gz LIYHWRYMYQPTGW-MWLCHTKSSA-N 0 0 279.714 2.540 20 10 CFCDRN C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000297031080 394313025 /nfs/dbraw/zinc/31/30/25/394313025.db2.gz BPBQVCOURMHCOJ-QWHCGFSZSA-N 0 0 287.407 2.619 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000527957277 394431914 /nfs/dbraw/zinc/43/19/14/394431914.db2.gz QXDKDDDEBUSWBS-MJBXVCDLSA-N 0 0 299.798 2.626 20 10 CFCDRN COc1cccc(CNC(=O)C=C(C2CC2)C2CC2)c1O ZINC000268546410 397630239 /nfs/dbraw/zinc/63/02/39/397630239.db2.gz BPOFJCSLSFAQHD-UHFFFAOYSA-N 0 0 287.359 2.763 20 10 CFCDRN Cc1nc(Sc2nccs2)ccc1[N+](=O)[O-] ZINC000301669469 397638801 /nfs/dbraw/zinc/63/88/01/397638801.db2.gz YFCZPLHBQISTBV-UHFFFAOYSA-N 0 0 253.308 2.906 20 10 CFCDRN COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000282709093 292246509 /nfs/dbraw/zinc/24/65/09/292246509.db2.gz LHWFMLKNDZUOOS-NSHDSACASA-N 0 0 294.351 2.768 20 10 CFCDRN COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273524605 292307192 /nfs/dbraw/zinc/30/71/92/292307192.db2.gz UYDXMPXVFZHEIT-NSHDSACASA-N 0 0 294.351 2.768 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ncccc1O ZINC000352120951 228185514 /nfs/dbraw/zinc/18/55/14/228185514.db2.gz MUEQUXQNQKUFIC-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN COc1ccc([C@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000152559406 261066071 /nfs/dbraw/zinc/06/60/71/261066071.db2.gz KAWIOZMQRQRFIF-ZDUSSCGKSA-N 0 0 298.386 2.740 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc[nH]1 ZINC000188224087 262285866 /nfs/dbraw/zinc/28/58/66/262285866.db2.gz MKYDFCMJLUGAPT-VMPITWQZSA-N 0 0 297.358 2.520 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000299550909 263246874 /nfs/dbraw/zinc/24/68/74/263246874.db2.gz XKTPYEKWWVLZMQ-YPMHNXCESA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)C ZINC000349137908 265170164 /nfs/dbraw/zinc/17/01/64/265170164.db2.gz VXNJFKMQCAEOTD-UHFFFAOYSA-N 0 0 273.380 2.942 20 10 CFCDRN Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1ccccc1 ZINC000363126380 267075539 /nfs/dbraw/zinc/07/55/39/267075539.db2.gz HDLCOVWDWUDQFF-UHFFFAOYSA-N 0 0 298.386 2.957 20 10 CFCDRN CC[C@H](c1ccccc1O)N1CCOCC(F)(F)C1 ZINC000367684860 267108494 /nfs/dbraw/zinc/10/84/94/267108494.db2.gz ITZVVIYEZWIVQZ-GFCCVEGCSA-N 0 0 271.307 2.811 20 10 CFCDRN OC[C@@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000367791376 267117925 /nfs/dbraw/zinc/11/79/25/267117925.db2.gz FHLYTVKSPNGFCW-CYBMUJFWSA-N 0 0 269.344 2.563 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000367809942 267119246 /nfs/dbraw/zinc/11/92/46/267119246.db2.gz LBZUJYJMFHGDMH-UHFFFAOYSA-N 0 0 271.364 2.530 20 10 CFCDRN Oc1ccc2ccccc2c1CN1CCn2cncc2C1 ZINC000367940750 267129752 /nfs/dbraw/zinc/12/97/52/267129752.db2.gz DQTNRYAPVLDULI-UHFFFAOYSA-N 0 0 279.343 2.758 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@H]2c2ncon2)cc1F ZINC000371383984 267397467 /nfs/dbraw/zinc/39/74/67/267397467.db2.gz QLRRGHHHCAJERE-AWEZNQCLSA-N 0 0 290.342 2.612 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ccco2)C1 ZINC000373124774 267640897 /nfs/dbraw/zinc/64/08/97/267640897.db2.gz QPEJOUWIZLNXNR-BPJJOFIESA-N 0 0 299.326 2.720 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000376385274 267969901 /nfs/dbraw/zinc/96/99/01/267969901.db2.gz KXPSBVUVMHCALN-UHFFFAOYSA-N 0 0 265.328 2.580 20 10 CFCDRN COC(=O)/C=C/c1ccc(N(C)C(C)C)c([N+](=O)[O-])c1 ZINC000301275284 277047664 /nfs/dbraw/zinc/04/76/64/277047664.db2.gz OTNYNBPELMRQMY-SOFGYWHQSA-N 0 0 278.308 2.626 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)Oc3ncccc32)c1 ZINC000158279285 279023487 /nfs/dbraw/zinc/02/34/87/279023487.db2.gz CECYDNYBYRIQEJ-GFUIURDCSA-N 0 0 295.342 2.612 20 10 CFCDRN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1[O-] ZINC000248499024 279555330 /nfs/dbraw/zinc/55/53/30/279555330.db2.gz MLUSSKOYHZEIFV-HKJPBSJPSA-N 0 0 287.334 2.840 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCc2ccc(F)cc21 ZINC000255054660 326901832 /nfs/dbraw/zinc/90/18/32/326901832.db2.gz JMAKJBLOPMQOEL-RJRFIUFISA-N 0 0 286.281 2.962 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCc3cnnn3C)cc12 ZINC000421183448 329806846 /nfs/dbraw/zinc/80/68/46/329806846.db2.gz AQZMRNJRVIICTA-UHFFFAOYSA-N 0 0 270.336 2.503 20 10 CFCDRN Oc1cc2c(cc1CNc1cccc3c1OCC3)OCO2 ZINC000527759874 330281283 /nfs/dbraw/zinc/28/12/83/330281283.db2.gz CAGYLVDHYKMSAO-UHFFFAOYSA-N 0 0 285.299 2.668 20 10 CFCDRN COc1ncccc1N(C)C(=O)/C=C\c1cnc(C)s1 ZINC000491852516 332372219 /nfs/dbraw/zinc/37/22/19/332372219.db2.gz UBHFIBXXPONVQA-SREVYHEPSA-N 0 0 289.360 2.531 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCc3ccccc32)cn1 ZINC000492393525 332395500 /nfs/dbraw/zinc/39/55/00/332395500.db2.gz QLBSKIBYJFCLMN-HJWRWDBZSA-N 0 0 264.328 2.993 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2O1 ZINC000492435236 332397421 /nfs/dbraw/zinc/39/74/21/332397421.db2.gz FHRSDZQXRBWJMJ-NNNHXZLVSA-N 0 0 296.326 2.615 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2ccccc21 ZINC000492504383 332400716 /nfs/dbraw/zinc/40/07/16/332400716.db2.gz SEXGZUAUAZNHEG-VOTSOKGWSA-N 0 0 280.327 2.829 20 10 CFCDRN Cc1ccc2c(n1)OCCN2C(=O)/C=C/c1cnccc1C ZINC000492525895 332401551 /nfs/dbraw/zinc/40/15/51/332401551.db2.gz CZJUUHSBFQHRAG-GQCTYLIASA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccnc(C)c2)cn1 ZINC000492566245 332403583 /nfs/dbraw/zinc/40/35/83/332403583.db2.gz NRBIYWFFKFGPFN-SREVYHEPSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccccn1 ZINC000492681366 332409333 /nfs/dbraw/zinc/40/93/33/332409333.db2.gz NQJDPFIYVQUOOB-SREVYHEPSA-N 0 0 259.334 2.523 20 10 CFCDRN CCN(C(=O)/C=C\c1scnc1C)c1cccnc1 ZINC000492719621 332410918 /nfs/dbraw/zinc/41/09/18/332410918.db2.gz XIHIZDUFJGGUMC-SREVYHEPSA-N 0 0 273.361 2.913 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2c1cccc2F ZINC000183744585 333122046 /nfs/dbraw/zinc/12/20/46/333122046.db2.gz VKUVVIUBAZGFGZ-VOTSOKGWSA-N 0 0 268.291 2.823 20 10 CFCDRN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000529501709 333491247 /nfs/dbraw/zinc/49/12/47/333491247.db2.gz NMRFEYOCHMAVMJ-LKTVYLICSA-N 0 0 296.370 2.849 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529637722 333502364 /nfs/dbraw/zinc/50/23/64/333502364.db2.gz WKDRJPJCJLOSIS-LLVKDONJSA-N 0 0 269.772 2.952 20 10 CFCDRN COCCC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000529637291 333502377 /nfs/dbraw/zinc/50/23/77/333502377.db2.gz BIFDVIGDZOVKOI-UHFFFAOYSA-N 0 0 267.344 2.780 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000529669713 333504874 /nfs/dbraw/zinc/50/48/74/333504874.db2.gz OELJTQRNQGXBBR-BSTOTGJRSA-N 0 0 269.772 2.947 20 10 CFCDRN CC[C@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000133778233 334055189 /nfs/dbraw/zinc/05/51/89/334055189.db2.gz WCUSUNZVBKYCEE-CXAGYDPISA-N 0 0 288.391 2.914 20 10 CFCDRN CC(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049740425 519595959 /nfs/dbraw/zinc/59/59/59/519595959.db2.gz UZCOATKAJPIMMZ-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN Cc1ccc2cccnc2c1-c1ccn(C)c(=O)c1 ZINC001240989309 782154118 /nfs/dbraw/zinc/15/41/18/782154118.db2.gz YSFAOBOVAAEXEJ-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000278789358 518278067 /nfs/dbraw/zinc/27/80/67/518278067.db2.gz NZWXCOVLRMKRLZ-ZDUSSCGKSA-N 0 0 299.798 2.745 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccccn2)c1O ZINC000050134230 518285243 /nfs/dbraw/zinc/28/52/43/518285243.db2.gz KEGYAXRUYLVDNG-UHFFFAOYSA-N 0 0 288.322 2.761 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000293369272 518287689 /nfs/dbraw/zinc/28/76/89/518287689.db2.gz JBHWCPOFBNGCJC-RKDXNWHRSA-N 0 0 251.301 2.574 20 10 CFCDRN CC(C(=O)NCCc1ccc(O)c(O)c1)=C1CCCC1 ZINC000157916187 518501013 /nfs/dbraw/zinc/50/10/13/518501013.db2.gz BOXJFATWLXLKCD-UHFFFAOYSA-N 0 0 275.348 2.647 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186522927 518543156 /nfs/dbraw/zinc/54/31/56/518543156.db2.gz OESQYYNIVDYAPX-ISBNUJHVSA-N 0 0 253.317 2.509 20 10 CFCDRN CC(C)(C)c1cnc(SCCS(C)(=O)=O)s1 ZINC000164195654 519075862 /nfs/dbraw/zinc/07/58/62/519075862.db2.gz KIAJRLUKUXTKLU-UHFFFAOYSA-N 0 0 279.452 2.577 20 10 CFCDRN CC(C)(C)c1nnc(CNCc2ccccc2O)s1 ZINC000268220362 519121312 /nfs/dbraw/zinc/12/13/12/519121312.db2.gz QWRZFHQFYTVYEY-UHFFFAOYSA-N 0 0 277.393 2.831 20 10 CFCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000290189116 519628272 /nfs/dbraw/zinc/62/82/72/519628272.db2.gz OEEFKHZLHYTASG-NEPJUHHUSA-N 0 0 268.376 2.911 20 10 CFCDRN CC(C)CCSCC(=O)NCCc1ccc(N)cc1 ZINC000236597685 519678357 /nfs/dbraw/zinc/67/83/57/519678357.db2.gz SBFAQHQVOBLRPW-UHFFFAOYSA-N 0 0 280.437 2.707 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000191585166 519780259 /nfs/dbraw/zinc/78/02/59/519780259.db2.gz NFLVDZVIYGPMTH-GFCCVEGCSA-N 0 0 277.286 2.833 20 10 CFCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCCCC2)cc1 ZINC000191599936 519780266 /nfs/dbraw/zinc/78/02/66/519780266.db2.gz MAPFIZPSDYKWSS-UHFFFAOYSA-N 0 0 290.407 2.923 20 10 CFCDRN CC(C)Oc1ccc(N(C)CCC2OCCO2)cc1 ZINC000191590572 519780309 /nfs/dbraw/zinc/78/03/09/519780309.db2.gz YULZQFBDBCAWQV-UHFFFAOYSA-N 0 0 265.353 2.673 20 10 CFCDRN CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278505739 519842647 /nfs/dbraw/zinc/84/26/47/519842647.db2.gz OVLYSAQNHLQRNI-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN CCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183437066 519933466 /nfs/dbraw/zinc/93/34/66/519933466.db2.gz FRJJDNCMUSIHKZ-NSHDSACASA-N 0 0 265.353 2.725 20 10 CFCDRN CCN(CC(C)(C)C)C(=O)c1ccc(C)c(O)c1O ZINC000292209647 520394290 /nfs/dbraw/zinc/39/42/90/520394290.db2.gz YHXGFXBFIQERDT-UHFFFAOYSA-N 0 0 265.353 2.914 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCO1 ZINC000282546706 520546447 /nfs/dbraw/zinc/54/64/47/520546447.db2.gz RYNIXFOEOQXFLJ-HNNXBMFYSA-N 0 0 277.364 2.700 20 10 CFCDRN CC1([NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000164771439 520768017 /nfs/dbraw/zinc/76/80/17/520768017.db2.gz GGKBBQGHSCOTNH-UHFFFAOYSA-N 0 0 255.745 2.704 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCCOC)cc1F ZINC000066841343 520893979 /nfs/dbraw/zinc/89/39/79/520893979.db2.gz CFVGUOLVSMZEJD-UHFFFAOYSA-N 0 0 296.386 2.715 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(F)F)cc1F ZINC000278996585 520895877 /nfs/dbraw/zinc/89/58/77/520895877.db2.gz JWYZXNPLNAVQIS-UHFFFAOYSA-N 0 0 274.286 2.553 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(=O)[O-])cc1 ZINC000277048650 520905352 /nfs/dbraw/zinc/90/53/52/520905352.db2.gz RSOLYXSGUXBWAG-UHFFFAOYSA-N 0 0 278.396 2.733 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc(C)n(C)n2)cc1F ZINC000292007351 520911549 /nfs/dbraw/zinc/91/15/49/520911549.db2.gz YHKRDWQKPHYNJO-UHFFFAOYSA-N 0 0 291.374 2.721 20 10 CFCDRN CCN(CC[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000224577577 521079092 /nfs/dbraw/zinc/07/90/92/521079092.db2.gz PXCBOXKZTGUSJJ-UHFFFAOYSA-N 0 0 268.788 2.620 20 10 CFCDRN CCN(CCc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000037815000 521162226 /nfs/dbraw/zinc/16/22/26/521162226.db2.gz PQMUJJAMQRLTQN-UHFFFAOYSA-N 0 0 282.387 2.903 20 10 CFCDRN CCOC(=O)[C@H](C)N(Cc1cccc(C)c1O)C1CC1 ZINC000191708288 521199271 /nfs/dbraw/zinc/19/92/71/521199271.db2.gz KDVAYDCPDNHORW-LBPRGKRZSA-N 0 0 277.364 2.617 20 10 CFCDRN CCOC(=O)[C@H](NCc1cccc(F)c1O)[C@@H](C)CC ZINC000276484983 521271296 /nfs/dbraw/zinc/27/12/96/521271296.db2.gz OZAXZUBZGVMKOF-GXFFZTMASA-N 0 0 283.343 2.599 20 10 CFCDRN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000278192319 521330963 /nfs/dbraw/zinc/33/09/63/521330963.db2.gz ICSMGRAUSQBRSS-UHFFFAOYSA-N 0 0 268.313 2.539 20 10 CFCDRN CCC(CC)(C(=O)CSc1nccs1)C(=O)OC ZINC000285167418 521382320 /nfs/dbraw/zinc/38/23/20/521382320.db2.gz NARCBJZJTYEUSS-UHFFFAOYSA-N 0 0 287.406 2.784 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])OC ZINC000291718242 521441538 /nfs/dbraw/zinc/44/15/38/521441538.db2.gz MEMXMZZWKSGYAN-UHFFFAOYSA-N 0 0 282.340 2.595 20 10 CFCDRN CCCc1nc(C)c(C(=O)N(C)Cc2ccccc2O)o1 ZINC000293277824 521482803 /nfs/dbraw/zinc/48/28/03/521482803.db2.gz GQNDOKKJRHIHCU-UHFFFAOYSA-N 0 0 288.347 2.913 20 10 CFCDRN CCCc1nnc(NCc2ccc(N(C)C)c(F)c2)o1 ZINC000271956560 521565753 /nfs/dbraw/zinc/56/57/53/521565753.db2.gz DOQDQAHZJOINQP-UHFFFAOYSA-N 0 0 278.331 2.839 20 10 CFCDRN CCS(=O)(=O)CCCCCSc1nccs1 ZINC000191102699 521638417 /nfs/dbraw/zinc/63/84/17/521638417.db2.gz HWIUVFFEWORYFC-UHFFFAOYSA-N 0 0 279.452 2.840 20 10 CFCDRN CCC1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC000158019308 521666612 /nfs/dbraw/zinc/66/66/12/521666612.db2.gz NGFBEIWYXKNEHZ-UHFFFAOYSA-N 0 0 277.364 2.727 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)OC ZINC000279888100 521687326 /nfs/dbraw/zinc/68/73/26/521687326.db2.gz ODQNHIYNHFACLV-UHFFFAOYSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCCCOCC ZINC000066688123 521688150 /nfs/dbraw/zinc/68/81/50/521688150.db2.gz JHRBEJPWGKHVMR-UHFFFAOYSA-N 0 0 294.395 2.740 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1OCC ZINC000264100316 521689399 /nfs/dbraw/zinc/68/93/99/521689399.db2.gz PEXARYYIBGXMGI-HIFRSBDPSA-N 0 0 277.364 2.556 20 10 CFCDRN CCS[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236888210 521725754 /nfs/dbraw/zinc/72/57/54/521725754.db2.gz JUUFEZKUVUNJCB-LSDHHAIUSA-N 0 0 292.448 2.992 20 10 CFCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000162543490 521732280 /nfs/dbraw/zinc/73/22/80/521732280.db2.gz GPTDQTGFKJGUSJ-CABCVRRESA-N 0 0 292.448 2.944 20 10 CFCDRN COCC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000082367501 521799430 /nfs/dbraw/zinc/79/94/30/521799430.db2.gz QICCUTQQZZFSAZ-SECBINFHSA-N 0 0 288.185 2.669 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325870 521868249 /nfs/dbraw/zinc/86/82/49/521868249.db2.gz YRKHWFVUTVJJEX-MNOVXSKESA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278309602 521871544 /nfs/dbraw/zinc/87/15/44/521871544.db2.gz DTESIBFPFCWUSP-LLVKDONJSA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278314586 521871887 /nfs/dbraw/zinc/87/18/87/521871887.db2.gz XFGMYKLZYWISAM-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2CCCC2)ccc1[N+](=O)[O-] ZINC000278909431 521873462 /nfs/dbraw/zinc/87/34/62/521873462.db2.gz SFDMGNYGOWIMAP-UHFFFAOYSA-N 0 0 280.324 2.589 20 10 CFCDRN COc1c([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000278284299 521876037 /nfs/dbraw/zinc/87/60/37/521876037.db2.gz UDYROEFNIPYDDO-QWRGUYRKSA-N 0 0 292.335 2.541 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278238723 521877014 /nfs/dbraw/zinc/87/70/14/521877014.db2.gz NQGQPIXHCOXPFK-WDEREUQCSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278492248 521878658 /nfs/dbraw/zinc/87/86/58/521878658.db2.gz LQGOOCABYGLGLX-JTQLQIEISA-N 0 0 294.351 2.977 20 10 CFCDRN CCc1cncc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000279020202 522063085 /nfs/dbraw/zinc/06/30/85/522063085.db2.gz UTICIKXEIGDLAL-UHFFFAOYSA-N 0 0 283.375 2.640 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C(F)(F)F)C2CC2)cc1 ZINC000263736903 522158762 /nfs/dbraw/zinc/15/87/62/522158762.db2.gz ZRVMQRZMBRLGAS-UHFFFAOYSA-N 0 0 286.297 2.806 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NC2CCCC2)cc1 ZINC000276903679 522167038 /nfs/dbraw/zinc/16/70/38/522167038.db2.gz PWVKXCNPNHXIMF-UHFFFAOYSA-N 0 0 275.396 2.837 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCc2ccccc2N)cc1 ZINC000279889018 522187770 /nfs/dbraw/zinc/18/77/70/522187770.db2.gz SOMVQKOWKFNJQG-UHFFFAOYSA-N 0 0 297.402 2.584 20 10 CFCDRN CN(C)c1ccc(CNS(=O)(=O)C2CCCCC2)cc1 ZINC000264664444 522208287 /nfs/dbraw/zinc/20/82/87/522208287.db2.gz NNMHNFBTGHREKZ-UHFFFAOYSA-N 0 0 296.436 2.505 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)OC(C)(C)C ZINC000174064356 522252572 /nfs/dbraw/zinc/25/25/72/522252572.db2.gz SEZLFYJKKBOGAM-UHFFFAOYSA-N 0 0 278.352 2.887 20 10 CFCDRN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286299393 522326949 /nfs/dbraw/zinc/32/69/49/522326949.db2.gz WPFAMLDLJNOJRM-DGFSRKRXSA-N 0 0 269.360 2.979 20 10 CFCDRN COC(=O)c1cnc(SCc2nnc(C(C)C)o2)s1 ZINC000295167437 522341242 /nfs/dbraw/zinc/34/12/42/522341242.db2.gz HVOTUGBKNOPXIR-UHFFFAOYSA-N 0 0 299.377 2.728 20 10 CFCDRN COC(=O)c1cnc(SCCCOC(C)C)s1 ZINC000295366885 522341461 /nfs/dbraw/zinc/34/14/61/522341461.db2.gz SAYBSMXOQROZNK-UHFFFAOYSA-N 0 0 275.395 2.837 20 10 CFCDRN COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000187441104 522631063 /nfs/dbraw/zinc/63/10/63/522631063.db2.gz AKHANUIXTQIIIR-UHFFFAOYSA-N 0 0 294.351 2.739 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc(Cl)c1[O-] ZINC000287310121 522700807 /nfs/dbraw/zinc/70/08/07/522700807.db2.gz CWXNONIJBHLRPK-CABZTGNLSA-N 0 0 294.786 2.976 20 10 CFCDRN CC[C@H](SC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000123952004 522906158 /nfs/dbraw/zinc/90/61/58/522906158.db2.gz DGZZNPMIXDSJEN-ZDUSSCGKSA-N 0 0 266.410 2.510 20 10 CFCDRN COCc1ccc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000272578016 522969043 /nfs/dbraw/zinc/96/90/43/522969043.db2.gz XMDJZDGHEQRUBB-UHFFFAOYSA-N 0 0 275.304 2.791 20 10 CFCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000279955297 523182315 /nfs/dbraw/zinc/18/23/15/523182315.db2.gz PICPGAFFDXLMSP-KGLIPLIRSA-N 0 0 291.391 2.973 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(OC)c1O ZINC000132288308 523292532 /nfs/dbraw/zinc/29/25/32/523292532.db2.gz JCBNDFOJJRDBEZ-YPMHNXCESA-N 0 0 292.379 2.779 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272592254 523307454 /nfs/dbraw/zinc/30/74/54/523307454.db2.gz GBQPJYVWFWWOSJ-SKFMMRCFSA-N 0 0 275.348 2.806 20 10 CFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC3)c2C)cc1 ZINC000070871692 523314880 /nfs/dbraw/zinc/31/48/80/523314880.db2.gz NHCJTFXXVNPJSI-UHFFFAOYSA-N 0 0 284.359 2.949 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2cccnc21 ZINC000192757273 523380320 /nfs/dbraw/zinc/38/03/20/523380320.db2.gz PWSQLXYLCLKDMC-OAHLLOKOSA-N 0 0 296.370 2.866 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1CCCC1 ZINC000047013953 523382643 /nfs/dbraw/zinc/38/26/43/523382643.db2.gz NFMJGPUYNUJSRX-UHFFFAOYSA-N 0 0 262.353 2.724 20 10 CFCDRN CCn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293513361 523383080 /nfs/dbraw/zinc/38/30/80/523383080.db2.gz CKAOSKZHTDCLGS-UHFFFAOYSA-N 0 0 283.734 2.691 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000049399819 523384065 /nfs/dbraw/zinc/38/40/65/523384065.db2.gz GIRORSZSTQIGRT-CHWSQXEVSA-N 0 0 271.316 2.747 20 10 CFCDRN CCn1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000276911109 523388271 /nfs/dbraw/zinc/38/82/71/523388271.db2.gz KTJSFLGDRJWDBE-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278295297 523435781 /nfs/dbraw/zinc/43/57/81/523435781.db2.gz CCSQPAWMYRSVGZ-PWSUYJOCSA-N 0 0 294.351 2.929 20 10 CFCDRN CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000096478357 523509261 /nfs/dbraw/zinc/50/92/61/523509261.db2.gz QYJMTEBBZLWFRH-LBPRGKRZSA-N 0 0 278.179 2.950 20 10 CFCDRN CCn1ccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000274858029 523538098 /nfs/dbraw/zinc/53/80/98/523538098.db2.gz ZCKBYGDKOKLCMJ-ZDUSSCGKSA-N 0 0 272.396 2.820 20 10 CFCDRN CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000080886411 523646978 /nfs/dbraw/zinc/64/69/78/523646978.db2.gz AHWXQDLRDJWIMB-LBPRGKRZSA-N 0 0 278.179 2.950 20 10 CFCDRN CCn1ncnc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000193422633 523750144 /nfs/dbraw/zinc/75/01/44/523750144.db2.gz IWQARKXJSLNYMS-UHFFFAOYSA-N 0 0 292.358 2.861 20 10 CFCDRN CCc1cc(NCc2cc(OC)ccc2O)nc(C)n1 ZINC000302072243 523823453 /nfs/dbraw/zinc/82/34/53/523823453.db2.gz ZDTVQENKDNDXJW-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN CC[C@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084814858 523828388 /nfs/dbraw/zinc/82/83/88/523828388.db2.gz NIUWUHVXVTZMCD-LBPRGKRZSA-N 0 0 294.370 2.529 20 10 CFCDRN CCc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000159008854 523914753 /nfs/dbraw/zinc/91/47/53/523914753.db2.gz PAKPQYKRXWBICT-UHFFFAOYSA-N 0 0 299.370 2.909 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000235675854 524146036 /nfs/dbraw/zinc/14/60/36/524146036.db2.gz SOPPITKGIFMNHD-SWLSCSKDSA-N 0 0 260.381 2.896 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000057646763 524198819 /nfs/dbraw/zinc/19/88/19/524198819.db2.gz BIGWSNUYOYXKNJ-GFCCVEGCSA-N 0 0 293.386 2.833 20 10 CFCDRN Cc1cccc(C)c1NCC(=O)NCCc1ccc(N)cc1 ZINC000262587853 524302442 /nfs/dbraw/zinc/30/24/42/524302442.db2.gz XBKDUACUYVWURE-UHFFFAOYSA-N 0 0 297.402 2.656 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(OC)nc2)c(OC)c1 ZINC000132308421 524353621 /nfs/dbraw/zinc/35/36/21/524353621.db2.gz YUFUDFRSXFLSMF-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(C)C)no2)cc1F ZINC000177068868 524356256 /nfs/dbraw/zinc/35/62/56/524356256.db2.gz NJEHRYRARGXJMI-UHFFFAOYSA-N 0 0 279.315 2.977 20 10 CFCDRN C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000226323762 524379176 /nfs/dbraw/zinc/37/91/76/524379176.db2.gz CBWWDGUSKBWEGT-OCCSQVGLSA-N 0 0 260.381 2.754 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000285501046 524699765 /nfs/dbraw/zinc/69/97/65/524699765.db2.gz AUYROXOHEGNJQP-YRGRVCCFSA-N 0 0 289.375 2.747 20 10 CFCDRN Cc1cccc(OC[C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000237416955 524754993 /nfs/dbraw/zinc/75/49/93/524754993.db2.gz XHIXAIYDQUAIRM-CQSZACIVSA-N 0 0 298.386 2.703 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)ncn2)c1 ZINC000301230658 524766762 /nfs/dbraw/zinc/76/67/62/524766762.db2.gz IRTAXVXFLZCTGU-SNVBAGLBSA-N 0 0 259.309 2.672 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C)ns2)c1 ZINC000301967905 524768587 /nfs/dbraw/zinc/76/85/87/524768587.db2.gz XCTNMCRXKOUYJN-SSDOTTSWSA-N 0 0 265.338 2.734 20 10 CFCDRN COc1ccccc1[C@H](C)SCC(=O)C(C)=O ZINC000289692485 524786385 /nfs/dbraw/zinc/78/63/85/524786385.db2.gz QISYSZOZTIKBAX-JTQLQIEISA-N 0 0 252.335 2.648 20 10 CFCDRN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276854690 524792558 /nfs/dbraw/zinc/79/25/58/524792558.db2.gz BQNXVJPVEQTNRE-ZJUUUORDSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000186415135 524892740 /nfs/dbraw/zinc/89/27/40/524892740.db2.gz SKQWPGUUBPJHNI-FRRDWIJNSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271854691 524898748 /nfs/dbraw/zinc/89/87/48/524898748.db2.gz UQOWEYWFGPPDIL-WDEREUQCSA-N 0 0 269.772 2.950 20 10 CFCDRN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000158307286 524972006 /nfs/dbraw/zinc/97/20/06/524972006.db2.gz IUMUOURWLLZRSJ-BJJXKVORSA-N 0 0 272.392 2.991 20 10 CFCDRN Cc1cc(NCCCSc2nccs2)ncn1 ZINC000301244420 525269338 /nfs/dbraw/zinc/26/93/38/525269338.db2.gz AUQLDQAPZBFOON-UHFFFAOYSA-N 0 0 266.395 2.836 20 10 CFCDRN Cc1cc(O)c(CN2CCOC[C@H]2CC(F)F)cc1C ZINC000284976989 525320296 /nfs/dbraw/zinc/32/02/96/525320296.db2.gz BNUPSHOMGNJGDP-CYBMUJFWSA-N 0 0 285.334 2.865 20 10 CFCDRN C[C@H]([NH2+]CCCn1ccnc1)c1ccc(F)c(F)c1[O-] ZINC000191180611 525347077 /nfs/dbraw/zinc/34/70/77/525347077.db2.gz XDAHKKMXAVRVGY-JTQLQIEISA-N 0 0 281.306 2.608 20 10 CFCDRN C[C@H]([NH2+]CCc1ccncc1)c1ccc(F)c(F)c1[O-] ZINC000276943949 525370235 /nfs/dbraw/zinc/37/02/35/525370235.db2.gz PWPSRTXEWSJYSB-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280109342 525393615 /nfs/dbraw/zinc/39/36/15/525393615.db2.gz OUCLCJQBOWKAJW-UWVGGRQHSA-N 0 0 282.365 2.704 20 10 CFCDRN CSCCCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000131737168 525404535 /nfs/dbraw/zinc/40/45/35/525404535.db2.gz LIQDPWPBFUSRQT-UHFFFAOYSA-N 0 0 280.437 2.902 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000287690502 525417986 /nfs/dbraw/zinc/41/79/86/525417986.db2.gz WRIUZZNIPSFAIQ-GARJFASQSA-N 0 0 285.334 2.994 20 10 CFCDRN C[C@@H]([NH2+]CCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192592800 525436576 /nfs/dbraw/zinc/43/65/76/525436576.db2.gz FHWATTRVSPXNSJ-SSDOTTSWSA-N 0 0 264.152 2.732 20 10 CFCDRN CSCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181103554 525520909 /nfs/dbraw/zinc/52/09/09/525520909.db2.gz QZLCIGOHVVTKMV-OKPNEXGHSA-N 0 0 295.404 2.711 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c(C)n[nH]c1C ZINC000127704861 525530244 /nfs/dbraw/zinc/53/02/44/525530244.db2.gz ISNBVJBHOCMKOT-UHFFFAOYSA-N 0 0 257.337 2.598 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cnn(C)c1 ZINC000273611013 525530891 /nfs/dbraw/zinc/53/08/91/525530891.db2.gz VVGYAQHCEYXGHN-UWVGGRQHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1[O-] ZINC000062747409 525638941 /nfs/dbraw/zinc/63/89/41/525638941.db2.gz LJUUPMKTDVXCRG-QMTHXVAHSA-N 0 0 289.354 2.993 20 10 CFCDRN CSC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000133473993 525687115 /nfs/dbraw/zinc/68/71/15/525687115.db2.gz PNUUFSGTONWNDY-LBPRGKRZSA-N 0 0 295.452 2.646 20 10 CFCDRN C[C@H](O)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000276398084 525689668 /nfs/dbraw/zinc/68/96/68/525689668.db2.gz TVLSRFHWGCLMSU-KBPBESRZSA-N 0 0 299.370 2.863 20 10 CFCDRN Cc1cc[nH]c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000280510450 525708102 /nfs/dbraw/zinc/70/81/02/525708102.db2.gz CWRXJTPHODAXNM-UHFFFAOYSA-N 0 0 283.375 2.636 20 10 CFCDRN C[C@@H](Nc1nccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000302370096 525730378 /nfs/dbraw/zinc/73/03/78/525730378.db2.gz GKCGQZJRHPEYRO-GFCCVEGCSA-N 0 0 285.395 2.782 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000156044304 525790623 /nfs/dbraw/zinc/79/06/23/525790623.db2.gz UJFKROJIZLILMJ-NSHDSACASA-N 0 0 266.410 2.510 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1cc(Cl)cc(C)c1O)CC2 ZINC000378640890 525931239 /nfs/dbraw/zinc/93/12/39/525931239.db2.gz XVIAISDJCSNLMJ-UHFFFAOYSA-N 0 0 291.782 2.875 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1 ZINC000173730711 525935956 /nfs/dbraw/zinc/93/59/56/525935956.db2.gz OKXIKLFHDHUVSJ-AWEZNQCLSA-N 0 0 297.402 2.910 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C)C2)c1O ZINC000073744732 525990751 /nfs/dbraw/zinc/99/07/51/525990751.db2.gz WWNUMRMKPIKHIY-YPMHNXCESA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)c1O ZINC000186458254 526001276 /nfs/dbraw/zinc/00/12/76/526001276.db2.gz VEFRKMBWVBPVNG-WBMJQRKESA-N 0 0 277.364 2.699 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c(O)c1O ZINC000181836158 526102786 /nfs/dbraw/zinc/10/27/86/526102786.db2.gz LXMZGRSSPWKEGM-CQSZACIVSA-N 0 0 298.342 2.779 20 10 CFCDRN C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000299520248 526262148 /nfs/dbraw/zinc/26/21/48/526262148.db2.gz QDOQHVYZJXGGPH-WCQYABFASA-N 0 0 262.353 2.770 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000365158674 526346638 /nfs/dbraw/zinc/34/66/38/526346638.db2.gz SXJDENCYXJRVSU-RLCGTCKNSA-N 0 0 285.746 2.842 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365156049 526347710 /nfs/dbraw/zinc/34/77/10/526347710.db2.gz LGKCVCZOBCAFID-RISCZKNCSA-N 0 0 285.746 2.842 20 10 CFCDRN Cc1nnnn1-c1cccc(NCc2cc(C)ccc2O)c1 ZINC000237769952 526435743 /nfs/dbraw/zinc/43/57/43/526435743.db2.gz UZIGBAMWSMRIST-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN c1csc(SCCCNc2cnccn2)n1 ZINC000156411409 526584817 /nfs/dbraw/zinc/58/48/17/526584817.db2.gz NTHWJOAOXOMAGK-UHFFFAOYSA-N 0 0 252.368 2.527 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H](C1CC1)C(F)(F)F ZINC000287503553 526753436 /nfs/dbraw/zinc/75/34/36/526753436.db2.gz LNGALGHFNSMWKC-NSHDSACASA-N 0 0 288.269 2.532 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000266554386 526755101 /nfs/dbraw/zinc/75/51/01/526755101.db2.gz MVLDUEZGIFGNBX-QFBILLFUSA-N 0 0 293.366 2.913 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCC(F)(F)C1 ZINC000282417896 526755513 /nfs/dbraw/zinc/75/55/13/526755513.db2.gz IMEJKJHDNGGWOQ-SNVBAGLBSA-N 0 0 269.291 2.834 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc(C2CC2)ccn1 ZINC000290026265 526755677 /nfs/dbraw/zinc/75/56/77/526755677.db2.gz FRMIGEWVXJCKOM-UHFFFAOYSA-N 0 0 283.331 2.986 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N2CCN(C)c3ccccc32)s1 ZINC000112247267 527220323 /nfs/dbraw/zinc/22/03/23/527220323.db2.gz CBHKZEUNJOQMGJ-BQYQJAHWSA-N 0 0 299.399 2.948 20 10 CFCDRN Cc1ncccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159505 527355092 /nfs/dbraw/zinc/35/50/92/527355092.db2.gz WPUSVHPCDLQLTM-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000088416385 527474816 /nfs/dbraw/zinc/47/48/16/527474816.db2.gz MPDNTXSHUZICJW-UHFFFAOYSA-N 0 0 286.297 2.612 20 10 CFCDRN Nc1ccc(CC(=O)N2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000237895184 527475717 /nfs/dbraw/zinc/47/57/17/527475717.db2.gz DPOHSAGATFGPOZ-CABCVRRESA-N 0 0 290.432 2.698 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000237911707 527478654 /nfs/dbraw/zinc/47/86/54/527478654.db2.gz XEMBHYIVKRRQGP-MRXNPFEDSA-N 0 0 296.370 2.841 20 10 CFCDRN Nc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000049234162 527479820 /nfs/dbraw/zinc/47/98/20/527479820.db2.gz HCRJTEFYVVKMOH-UHFFFAOYSA-N 0 0 273.361 2.784 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000040675645 527480465 /nfs/dbraw/zinc/48/04/65/527480465.db2.gz SOKMQMGETJXOKT-UHFFFAOYSA-N 0 0 280.371 2.730 20 10 CFCDRN Cn1cncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290484528 527508665 /nfs/dbraw/zinc/50/86/65/527508665.db2.gz OEBNDPMVVYWVOK-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CCCCC[C@H]21 ZINC000364984071 527613797 /nfs/dbraw/zinc/61/37/97/527613797.db2.gz SJTOCPQDUSAAFS-BIYBCCJYSA-N 0 0 287.359 2.902 20 10 CFCDRN COCCn1ccc2c1ncnc2-c1cnc(C)s1 ZINC001243377415 782169874 /nfs/dbraw/zinc/16/98/74/782169874.db2.gz GAGADLVLJVFHCL-UHFFFAOYSA-N 0 0 274.349 2.510 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CC=CCC1 ZINC000935309494 649896459 /nfs/dbraw/zinc/89/64/59/649896459.db2.gz CIYYUNBUMHWKKF-CHWSQXEVSA-N 0 0 289.375 2.891 20 10 CFCDRN Cc1cc(-c2ccn(CC(F)(F)F)c(=O)c2)cnc1F ZINC001243401459 782184564 /nfs/dbraw/zinc/18/45/64/782184564.db2.gz WQSHYPDZFWJYBU-UHFFFAOYSA-N 0 0 286.228 2.920 20 10 CFCDRN CCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736992183 574093116 /nfs/dbraw/zinc/09/31/16/574093116.db2.gz BDZVJILHYJXGSS-UHFFFAOYSA-N 0 0 271.744 2.732 20 10 CFCDRN CCCCNC(=S)N[C@H](C)c1cc(OC)ccc1O ZINC000728791761 574110236 /nfs/dbraw/zinc/11/02/36/574110236.db2.gz FZXNPAHBAMGRSU-SNVBAGLBSA-N 0 0 282.409 2.726 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)CC1CC1 ZINC000754833629 574123616 /nfs/dbraw/zinc/12/36/16/574123616.db2.gz KNXHRJSAGRAPBD-NSHDSACASA-N 0 0 290.190 2.950 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@@H]1c1ccccc1 ZINC000754904942 574127594 /nfs/dbraw/zinc/12/75/94/574127594.db2.gz BYGOYMDWTLRKQP-CYBMUJFWSA-N 0 0 289.356 2.667 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCOCC1)c1cc(F)cc(F)c1[O-] ZINC000756789869 574130216 /nfs/dbraw/zinc/13/02/16/574130216.db2.gz IFWNMPWEMDOOSK-ONGXEEELSA-N 0 0 271.307 2.890 20 10 CFCDRN Cc1cccc(OCCCNC(=O)C2=CC(=O)CS2)c1 ZINC000731865120 574131513 /nfs/dbraw/zinc/13/15/13/574131513.db2.gz FQPACHJTCZFALX-UHFFFAOYSA-N 0 0 291.372 2.961 20 10 CFCDRN O=C(NCC1(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731866516 574132031 /nfs/dbraw/zinc/13/20/31/574132031.db2.gz JXFRNRRJAVQAAR-UHFFFAOYSA-N 0 0 273.357 2.915 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(Cc1cccnc1)C1CC1 ZINC000731867039 574132126 /nfs/dbraw/zinc/13/21/26/574132126.db2.gz BHRSSLKMTFIBIY-UHFFFAOYSA-N 0 0 274.345 2.654 20 10 CFCDRN Cc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)s1 ZINC000731911005 574133852 /nfs/dbraw/zinc/13/38/52/574133852.db2.gz YLTYHABSBNWARK-UHFFFAOYSA-N 0 0 282.342 2.863 20 10 CFCDRN CCN(CC(=O)NC(C)(C)CC)c1ccc(OC)cc1 ZINC000746109490 574134620 /nfs/dbraw/zinc/13/46/20/574134620.db2.gz QUOPUPXALQAYMA-UHFFFAOYSA-N 0 0 278.396 2.826 20 10 CFCDRN Cc1cc(C)n(-c2ccc(NCc3ccccc3O)nn2)n1 ZINC000737399985 574138241 /nfs/dbraw/zinc/13/82/41/574138241.db2.gz VYXODNJYXDZLDI-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)n2)c1 ZINC000728978544 574143373 /nfs/dbraw/zinc/14/33/73/574143373.db2.gz RWJQNDGCDDUDAX-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN CCCCO[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728981505 574143467 /nfs/dbraw/zinc/14/34/67/574143467.db2.gz BQYOUXRVAYDUPI-RYUDHWBXSA-N 0 0 295.379 2.783 20 10 CFCDRN O=C(N[C@@H]1CCCc2occc21)C1=CC(=O)CS1 ZINC000732267480 574148298 /nfs/dbraw/zinc/14/82/98/574148298.db2.gz HAXANZOVRAKFPM-SNVBAGLBSA-N 0 0 263.318 2.854 20 10 CFCDRN CN(Cc1nc2ccccc2[nH]1)C(=O)C1=CC(=O)CS1 ZINC000732267100 574148303 /nfs/dbraw/zinc/14/83/03/574148303.db2.gz UYMJSDJHOOYYSS-UHFFFAOYSA-N 0 0 287.344 2.602 20 10 CFCDRN C[C@H](c1cccnc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732273401 574148767 /nfs/dbraw/zinc/14/87/67/574148767.db2.gz UVUUULJUQYQMGC-SECBINFHSA-N 0 0 262.334 2.682 20 10 CFCDRN C[C@H](c1ccccn1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732278096 574149437 /nfs/dbraw/zinc/14/94/37/574149437.db2.gz FYVMGKOJHOOZPZ-SECBINFHSA-N 0 0 262.334 2.682 20 10 CFCDRN CC(C)(C)c1nsc(NC(=O)C2=CC(=O)CS2)n1 ZINC000732285243 574149927 /nfs/dbraw/zinc/14/99/27/574149927.db2.gz YSAVYGNSWPLUHX-UHFFFAOYSA-N 0 0 283.378 2.855 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000732280140 574150046 /nfs/dbraw/zinc/15/00/46/574150046.db2.gz ZOJXLKLPOXIABJ-JTQLQIEISA-N 0 0 277.349 2.544 20 10 CFCDRN O=C(NC[C@@H]1CCOc2ccccc21)C1=CC(=O)CS1 ZINC000732289675 574150525 /nfs/dbraw/zinc/15/05/25/574150525.db2.gz BJHDNUVMNYGVMX-JTQLQIEISA-N 0 0 289.356 2.750 20 10 CFCDRN O=C(NCCCc1cccc(F)c1)C1=CC(=O)CS1 ZINC000732291138 574150566 /nfs/dbraw/zinc/15/05/66/574150566.db2.gz RCMYTVQGLTZNEK-UHFFFAOYSA-N 0 0 279.336 2.955 20 10 CFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1nc(C2CC2)no1 ZINC000732353881 574152922 /nfs/dbraw/zinc/15/29/22/574152922.db2.gz CFZXNRKWPSDOEA-LURJTMIESA-N 0 0 280.305 2.632 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000732354337 574153131 /nfs/dbraw/zinc/15/31/31/574153131.db2.gz JTUZKEMFFHOKJT-UHFFFAOYSA-N 0 0 280.276 2.633 20 10 CFCDRN CN(C)c1ccc(CNc2cc3c(nn2)CCC3)cc1 ZINC000746660649 574161699 /nfs/dbraw/zinc/16/16/99/574161699.db2.gz KENLMDUDKUUFMN-UHFFFAOYSA-N 0 0 268.364 2.643 20 10 CFCDRN CN1CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc21 ZINC000746710409 574163977 /nfs/dbraw/zinc/16/39/77/574163977.db2.gz PLYSRWGKYKWMNE-UHFFFAOYSA-N 0 0 290.344 2.535 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2CC2(C)C)cc1 ZINC000732822428 574173880 /nfs/dbraw/zinc/17/38/80/574173880.db2.gz PEDGKXHPCITFHP-CYBMUJFWSA-N 0 0 275.396 2.598 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC1(C)C ZINC000732892704 574177058 /nfs/dbraw/zinc/17/70/58/574177058.db2.gz FRXGTVZYLBAVMP-LBPRGKRZSA-N 0 0 262.353 2.580 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1cccc(O)c1 ZINC000732886591 574177102 /nfs/dbraw/zinc/17/71/02/574177102.db2.gz IVXQAZAFYZCMAL-LLVKDONJSA-N 0 0 286.331 2.658 20 10 CFCDRN CCN(CC1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000732982702 574181196 /nfs/dbraw/zinc/18/11/96/574181196.db2.gz UHHKPQCGZCTKMS-UHFFFAOYSA-N 0 0 279.380 2.957 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC23CCCC3)c1 ZINC000747518944 574199422 /nfs/dbraw/zinc/19/94/22/574199422.db2.gz SROHJLHMYFXMRS-ZDUSSCGKSA-N 0 0 275.348 2.597 20 10 CFCDRN COc1ccc(N(CCN2CCOC2=O)CC(C)C)cc1 ZINC000747681968 574206770 /nfs/dbraw/zinc/20/67/70/574206770.db2.gz GVKNPDHAXDODBQ-UHFFFAOYSA-N 0 0 292.379 2.610 20 10 CFCDRN C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000729422597 574214657 /nfs/dbraw/zinc/21/46/57/574214657.db2.gz DBVFQHBOSJVKIM-WSROAFLRSA-N 0 0 281.359 2.659 20 10 CFCDRN CCCCSCC(=O)NCc1ccc(N(C)C)cc1 ZINC000747825645 574214890 /nfs/dbraw/zinc/21/48/90/574214890.db2.gz ZTZQGHXEILZLBI-UHFFFAOYSA-N 0 0 280.437 2.902 20 10 CFCDRN C[C@H](CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756298827 574222650 /nfs/dbraw/zinc/22/26/50/574222650.db2.gz GBFISPKQGLARLH-OLZOCXBDSA-N 0 0 291.391 2.991 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000756386573 574232218 /nfs/dbraw/zinc/23/22/18/574232218.db2.gz YGZZGXGRILNIOG-NOZJJQNGSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000756386578 574232317 /nfs/dbraw/zinc/23/23/17/574232317.db2.gz YGZZGXGRILNIOG-ZANVPECISA-N 0 0 265.284 2.509 20 10 CFCDRN COc1ccccc1NC(=S)NCc1ccccc1O ZINC000748157258 574233414 /nfs/dbraw/zinc/23/34/14/574233414.db2.gz KIBNKOQQRZSZQE-UHFFFAOYSA-N 0 0 288.372 2.887 20 10 CFCDRN Cc1nc(C(C)(C)NCc2c(O)ccc3ccncc32)no1 ZINC000729848800 574234169 /nfs/dbraw/zinc/23/41/69/574234169.db2.gz OWCJMEMHUNJKJH-UHFFFAOYSA-N 0 0 298.346 2.657 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756441128 574237247 /nfs/dbraw/zinc/23/72/47/574237247.db2.gz ISXKMAXGMIFEJZ-VHSXEESVSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000756434215 574237273 /nfs/dbraw/zinc/23/72/73/574237273.db2.gz UTCDPQZMVUIRAW-QMTHXVAHSA-N 0 0 266.360 2.522 20 10 CFCDRN CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756450258 574237815 /nfs/dbraw/zinc/23/78/15/574237815.db2.gz RYZPFOGMBPYYMT-MWLCHTKSSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@@H]([NH2+]CCCCn1ccnc1)c1cc(F)cc(F)c1[O-] ZINC000756455732 574238856 /nfs/dbraw/zinc/23/88/56/574238856.db2.gz AULSQVJPSGZPLN-LLVKDONJSA-N 0 0 295.333 2.998 20 10 CFCDRN CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756536903 574244147 /nfs/dbraw/zinc/24/41/47/574244147.db2.gz XEWLESMKFQKROK-VXGBXAGGSA-N 0 0 295.383 2.681 20 10 CFCDRN Cc1noc2ncc(NC(=O)C3=CC(=O)CS3)cc12 ZINC000748321315 574247295 /nfs/dbraw/zinc/24/72/95/574247295.db2.gz RUQNXANTYIDTRB-UHFFFAOYSA-N 0 0 275.289 2.551 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(-n2ccnc2)cc1 ZINC000748345757 574247640 /nfs/dbraw/zinc/24/76/40/574247640.db2.gz JMQHBBZPTIIDOG-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN O=C(Cn1ccc2ccccc21)NCc1ccccc1O ZINC000748345349 574247674 /nfs/dbraw/zinc/24/76/74/574247674.db2.gz JVIODBONRBCOTO-UHFFFAOYSA-N 0 0 280.327 2.663 20 10 CFCDRN CCN(Cc1nccc(C)n1)c1ccc(OC)c(OC)c1 ZINC000756578407 574249810 /nfs/dbraw/zinc/24/98/10/574249810.db2.gz ISGGGBXIFPSDLC-UHFFFAOYSA-N 0 0 287.363 2.829 20 10 CFCDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C[C@H](C)O ZINC000756605262 574251776 /nfs/dbraw/zinc/25/17/76/574251776.db2.gz RRRZQVOJPHDMCK-KXUCPTDWSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756607107 574251964 /nfs/dbraw/zinc/25/19/64/574251964.db2.gz MPXVDVYIVFNDPR-GVXVVHGQSA-N 0 0 294.351 2.502 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756611526 574252023 /nfs/dbraw/zinc/25/20/23/574252023.db2.gz WDEHKVNLBWJBDT-NOZJJQNGSA-N 0 0 273.323 2.728 20 10 CFCDRN COCc1ccccc1NC(=O)NCc1ccccc1O ZINC000748441971 574252925 /nfs/dbraw/zinc/25/29/25/574252925.db2.gz BSSUPULSMRRXTA-UHFFFAOYSA-N 0 0 286.331 2.860 20 10 CFCDRN C[C@@H](CNC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748463551 574253898 /nfs/dbraw/zinc/25/38/98/574253898.db2.gz VSUNFLZEBVEPFA-ZDUSSCGKSA-N 0 0 284.359 2.995 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ccon2)c2c1c(F)ccc2O ZINC000756635499 574253979 /nfs/dbraw/zinc/25/39/79/574253979.db2.gz GBXJQIGDSLDTEM-GZMMTYOYSA-N 0 0 262.284 2.857 20 10 CFCDRN C[C@H](NCc1ccon1)c1ccc(Br)cc1O ZINC000756637576 574254105 /nfs/dbraw/zinc/25/41/05/574254105.db2.gz NVQAXDSGUKDBOY-QMMMGPOBSA-N 0 0 297.152 2.994 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)cc(F)c1[O-] ZINC000756645506 574255271 /nfs/dbraw/zinc/25/52/71/574255271.db2.gz GJFGYQNJFTWGQX-LDYMZIIASA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648900 574255385 /nfs/dbraw/zinc/25/53/85/574255385.db2.gz ALWYIRCMMKXLJV-MWLCHTKSSA-N 0 0 282.365 2.847 20 10 CFCDRN CN(CCN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000756655459 574255842 /nfs/dbraw/zinc/25/58/42/574255842.db2.gz VHJCVQNWBMCHBY-UHFFFAOYSA-N 0 0 284.359 2.988 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000756661381 574256301 /nfs/dbraw/zinc/25/63/01/574256301.db2.gz RGRSOPVKXKFBMG-NWDGAFQWSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccccc1O)C1CCCC1 ZINC000733848361 574258395 /nfs/dbraw/zinc/25/83/95/574258395.db2.gz NMFRWEZEHUMMBU-LLVKDONJSA-N 0 0 262.353 2.770 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cnccn1 ZINC000748578336 574258401 /nfs/dbraw/zinc/25/84/01/574258401.db2.gz PJWIIAGEKGELRE-AGLBCWCQSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccccc1O ZINC000733847641 574258413 /nfs/dbraw/zinc/25/84/13/574258413.db2.gz 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/nfs/dbraw/zinc/36/31/89/574363189.db2.gz ZGVUYBNAPUTQJF-SECBINFHSA-N 0 0 288.463 2.637 20 10 CFCDRN CC[C@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000743618567 574369346 /nfs/dbraw/zinc/36/93/46/574369346.db2.gz GSNSVHDGDCGKIB-INIZCTEOSA-N 0 0 292.423 2.916 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]2CCC[C@H]21 ZINC000743707415 574371160 /nfs/dbraw/zinc/37/11/60/574371160.db2.gz GMBAUAFBGSJBBT-MWLCHTKSSA-N 0 0 251.351 2.858 20 10 CFCDRN Cc1ccsc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000751240557 574372672 /nfs/dbraw/zinc/37/26/72/574372672.db2.gz QGWJCLGWRAPFEO-UHFFFAOYSA-N 0 0 297.401 2.583 20 10 CFCDRN O=C(NCCc1nc2ccccc2o1)C1=CC(=O)CS1 ZINC000743820375 574372870 /nfs/dbraw/zinc/37/28/70/574372870.db2.gz CPXZSEWSRHHCGJ-UHFFFAOYSA-N 0 0 288.328 2.567 20 10 CFCDRN CS/C=C/C(=O)NCCCSc1nccs1 ZINC000751467421 574377495 /nfs/dbraw/zinc/37/74/95/574377495.db2.gz WFWINEIDNXEHTQ-XVNBXDOJSA-N 0 0 274.436 2.618 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2Cl)c(O)c1O ZINC000751530341 574378516 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597733070 /nfs/dbraw/zinc/73/30/70/597733070.db2.gz DCEUDCDGEZMMIY-UNXYVOJBSA-N 0 0 263.337 2.686 20 10 CFCDRN C[C@H]([NH2+]CCCCCC(=O)[O-])c1ccccc1O ZINC000820142096 597733889 /nfs/dbraw/zinc/73/38/89/597733889.db2.gz NXJSIKVLAGMASE-NSHDSACASA-N 0 0 251.326 2.688 20 10 CFCDRN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)[O-])CC2)c1O ZINC000820976675 598181459 /nfs/dbraw/zinc/18/14/59/598181459.db2.gz RNRGPMHVKKKEQT-UHFFFAOYSA-N 0 0 283.755 2.651 20 10 CFCDRN CC(C)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)COC1 ZINC000935464321 649910579 /nfs/dbraw/zinc/91/05/79/649910579.db2.gz LJVOGWJZQSNHDU-ZDUSSCGKSA-N 0 0 290.407 2.602 20 10 CFCDRN C[C@H](NC(=O)c1coc(C=O)c1)c1ccc(N(C)C)cc1 ZINC000935466511 649910624 /nfs/dbraw/zinc/91/06/24/649910624.db2.gz ZDODHZITVPXKFK-NSHDSACASA-N 0 0 286.331 2.649 20 10 CFCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000050510072 600296983 /nfs/dbraw/zinc/29/69/83/600296983.db2.gz BENHVQWOHDDVCT-INIZCTEOSA-N 0 0 283.327 2.537 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CC3(CCC3)c3ccccc32)c1 ZINC000935612261 649922860 /nfs/dbraw/zinc/92/28/60/649922860.db2.gz QFFZOLHSGDLVOV-FPLPWBNLSA-N 0 0 293.370 2.902 20 10 CFCDRN O=C(NC[C@]12C[C@H]1CCCC2)c1c(F)ccc(O)c1O ZINC000900207869 620650208 /nfs/dbraw/zinc/65/02/08/620650208.db2.gz WIDIIBYDEFVQAO-PSLIRLAXSA-N 0 0 279.311 2.547 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000826621058 604317872 /nfs/dbraw/zinc/31/78/72/604317872.db2.gz XVWLIWTUMROFMF-ZFWWWQNUSA-N 0 0 291.395 2.546 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OC ZINC000935856339 649955903 /nfs/dbraw/zinc/95/59/03/649955903.db2.gz WKKQNWKZABFOAJ-UKRRQHHQSA-N 0 0 277.364 2.556 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1C ZINC000833746997 605929923 /nfs/dbraw/zinc/92/99/23/605929923.db2.gz NSOXBTBCFQGXLF-CQSZACIVSA-N 0 0 277.364 2.838 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182222344 625271697 /nfs/dbraw/zinc/27/16/97/625271697.db2.gz PRBSRPRWIPVJOF-ZDUSSCGKSA-N 0 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[O-]c1c(F)cc(F)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000894851320 619482302 /nfs/dbraw/zinc/48/23/02/619482302.db2.gz PQTVVJSKTVDDGG-CYBMUJFWSA-N 0 0 297.345 2.919 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000894890224 619499708 /nfs/dbraw/zinc/49/97/08/619499708.db2.gz ZWRBXPASHLJVEH-YUELXQCFSA-N 0 0 297.345 2.796 20 10 CFCDRN CCOc1cccc(CN2CC(C(F)(F)F)C2)c1O ZINC000894892542 619500405 /nfs/dbraw/zinc/50/04/05/619500405.db2.gz ZNRUPWBBULAFDV-UHFFFAOYSA-N 0 0 275.270 2.785 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000895780342 619609125 /nfs/dbraw/zinc/60/91/25/619609125.db2.gz HVMGWOOMJMRBOI-WDMOLILDSA-N 0 0 281.783 2.557 20 10 CFCDRN Oc1cccc(F)c1CNc1ccnc(C2CC2)n1 ZINC000895833430 619619852 /nfs/dbraw/zinc/61/98/52/619619852.db2.gz XBNQUIMKBLTXAO-UHFFFAOYSA-N 0 0 259.284 2.811 20 10 CFCDRN CO[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000895968823 619645905 /nfs/dbraw/zinc/64/59/05/619645905.db2.gz GWZCDVBIHUIZDG-SFHVURJKSA-N 0 0 299.370 2.864 20 10 CFCDRN O=C(NC1CCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896250360 619705711 /nfs/dbraw/zinc/70/57/11/619705711.db2.gz FCNICRIREVIENU-UHFFFAOYSA-N 0 0 263.318 2.595 20 10 CFCDRN CCO[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896642377 619777465 /nfs/dbraw/zinc/77/74/65/619777465.db2.gz QLMGFGAKWJWTJX-NEPJUHHUSA-N 0 0 267.344 2.969 20 10 CFCDRN COC[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])cccc1F ZINC000896637945 619780660 /nfs/dbraw/zinc/78/06/60/619780660.db2.gz SEJYFPFMQLUMBI-CQSZACIVSA-N 0 0 289.350 2.879 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)ccc(F)c1F ZINC000897082932 619926584 /nfs/dbraw/zinc/92/65/84/619926584.db2.gz YIDOTTQSFLKJQS-WFASDCNBSA-N 0 0 297.345 2.965 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1c(F)cccc1F ZINC000088296369 619980114 /nfs/dbraw/zinc/98/01/14/619980114.db2.gz LUYCDILFOOYTSE-UHFFFAOYSA-N 0 0 291.297 2.872 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000889609183 619984685 /nfs/dbraw/zinc/98/46/85/619984685.db2.gz BFHNOXYPDPSPEO-CYZMBNFOSA-N 0 0 286.335 2.767 20 10 CFCDRN CC(C)=C(C)CC(=O)NCc1c(O)cccc1F ZINC000928704882 619995356 /nfs/dbraw/zinc/99/53/56/619995356.db2.gz AHSLRKFTLGYXRN-UHFFFAOYSA-N 0 0 251.301 2.894 20 10 CFCDRN CC(C)C[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928707180 619996002 /nfs/dbraw/zinc/99/60/02/619996002.db2.gz BTTDYWZXJYLXHZ-SNVBAGLBSA-N 0 0 253.317 2.830 20 10 CFCDRN CCn1cnc2c1CCN(Cc1cc(Cl)ccc1O)C2 ZINC000897336695 619999909 /nfs/dbraw/zinc/99/99/09/619999909.db2.gz LRIIBACXSDWDSQ-UHFFFAOYSA-N 0 0 291.782 2.820 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CCCOC)cc1 ZINC000079389908 620008565 /nfs/dbraw/zinc/00/85/65/620008565.db2.gz KLALEUIVSJJDHS-UHFFFAOYSA-N 0 0 278.396 2.576 20 10 CFCDRN Oc1ccc2ccccc2c1CN1CC(OC(F)F)C1 ZINC000797821504 620027976 /nfs/dbraw/zinc/02/79/76/620027976.db2.gz WWLPFHNTOJSQLH-UHFFFAOYSA-N 0 0 279.286 2.969 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(C)o2)cc1F ZINC000121802115 620087996 /nfs/dbraw/zinc/08/79/96/620087996.db2.gz HQKBPFNIUCJUGF-UHFFFAOYSA-N 0 0 250.273 2.767 20 10 CFCDRN Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1O ZINC000840997881 620116413 /nfs/dbraw/zinc/11/64/13/620116413.db2.gz SINJKCNTFBBSJA-YUELXQCFSA-N 0 0 289.375 2.918 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528442 620216069 /nfs/dbraw/zinc/21/60/69/620216069.db2.gz GWVXTTIZRLVXDD-UHFFFAOYSA-N 0 0 299.773 2.970 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC23CCCCC3)c(O)c1O ZINC000182979022 625407734 /nfs/dbraw/zinc/40/77/34/625407734.db2.gz RJUAXYKERJILCJ-GFCCVEGCSA-N 0 0 275.348 2.859 20 10 CFCDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2cc(O)c(O)cc2s1 ZINC000897594752 620254195 /nfs/dbraw/zinc/25/41/95/620254195.db2.gz UTKNGYAEAJELJH-QRJZZWFUSA-N 0 0 289.356 2.841 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(F)cc1[O-] ZINC000841765154 620264499 /nfs/dbraw/zinc/26/44/99/620264499.db2.gz NHYOVDHLWZCXSD-MWLCHTKSSA-N 0 0 288.313 2.521 20 10 CFCDRN CC(F)(F)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897852689 620294538 /nfs/dbraw/zinc/29/45/38/620294538.db2.gz MXERLUFURVUJDP-UHFFFAOYSA-N 0 0 287.287 2.698 20 10 CFCDRN Cn1c(Cl)ncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898214822 620346620 /nfs/dbraw/zinc/34/66/20/620346620.db2.gz HIARQTMZIJPGMO-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000898218184 620347039 /nfs/dbraw/zinc/34/70/39/620347039.db2.gz ACTIZXYAOSSFJI-AWEZNQCLSA-N 0 0 299.798 2.577 20 10 CFCDRN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000898259824 620359335 /nfs/dbraw/zinc/35/93/35/620359335.db2.gz SEVBJCSTUXYQPA-SCDSUCTJSA-N 0 0 272.348 2.606 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccccc1O ZINC000898257217 620365247 /nfs/dbraw/zinc/36/52/47/620365247.db2.gz PVXRXFRHHKGDHD-MHDGFBEUSA-N 0 0 274.364 2.941 20 10 CFCDRN C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841064807 620432746 /nfs/dbraw/zinc/43/27/46/620432746.db2.gz KHOYAVDYQLWVBM-UFBFGSQYSA-N 0 0 289.206 2.929 20 10 CFCDRN 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Cc1c2cc(OCCO[C@@H]3CCOC3)ccc2n(C)c1C ZINC000902754303 621165231 /nfs/dbraw/zinc/16/52/31/621165231.db2.gz ZEMVGWVRLZCWBU-OAHLLOKOSA-N 0 0 289.375 2.979 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2cccc(O)c2)cc1 ZINC000183318559 625468777 /nfs/dbraw/zinc/46/87/77/625468777.db2.gz WRNQKHYARJBYJY-DHZHZOJOSA-N 0 0 296.370 2.788 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903435652 621373337 /nfs/dbraw/zinc/37/33/37/621373337.db2.gz FKUWLRVFBFFDEC-HERUPUMHSA-N 0 0 265.328 2.607 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1ccccc1 ZINC000183443469 625498671 /nfs/dbraw/zinc/49/86/71/625498671.db2.gz WEWWEQDHPRBZSM-FROQITRMSA-N 0 0 297.354 2.858 20 10 CFCDRN CC1(C)CCC[C@H](CNC(=O)Nc2ccc(N)cc2)O1 ZINC000904500090 621602596 /nfs/dbraw/zinc/60/25/96/621602596.db2.gz JYEIDIKFNIKOLU-CYBMUJFWSA-N 0 0 277.368 2.738 20 10 CFCDRN Cc1nc(C)c(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC000905069554 621697418 /nfs/dbraw/zinc/69/74/18/621697418.db2.gz GDMSZHFSKRICGL-WQLSENKSSA-N 0 0 291.376 2.748 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CCC/C=C/[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000907492329 622131726 /nfs/dbraw/zinc/13/17/26/622131726.db2.gz IVMMEOHASPNPKK-FPHSSYOQSA-N 0 0 290.407 2.647 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000907493221 622131782 /nfs/dbraw/zinc/13/17/82/622131782.db2.gz OSWIPXUIWKPWRB-HEHGZKQESA-N 0 0 290.407 2.745 20 10 CFCDRN C/C=C(/C=C\C(=O)NCc1ccc(O)cc1O)CC ZINC000910948808 622488878 /nfs/dbraw/zinc/48/88/78/622488878.db2.gz ARRRXIWZTSYIDW-MJYGYMJXSA-N 0 0 261.321 2.627 20 10 CFCDRN CCCCSCCC(=O)NCc1ccc(O)cc1O ZINC000910951543 622489216 /nfs/dbraw/zinc/48/92/16/622489216.db2.gz SLRDERBRHXYDEM-UHFFFAOYSA-N 0 0 283.393 2.637 20 10 CFCDRN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(O)cc2O)C1(C)C ZINC000910951412 622489238 /nfs/dbraw/zinc/48/92/38/622489238.db2.gz IRKSXOMSOPWPRT-DZGCQCFKSA-N 0 0 289.375 2.952 20 10 CFCDRN CCCC1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910951225 622489304 /nfs/dbraw/zinc/48/93/04/622489304.db2.gz PIMVGFTYHREMMM-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(O)cc2O)C1(C)C ZINC000910951414 622489349 /nfs/dbraw/zinc/48/93/49/622489349.db2.gz IRKSXOMSOPWPRT-UKRRQHHQSA-N 0 0 289.375 2.952 20 10 CFCDRN C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCc2ccccc21 ZINC000910943348 622491145 /nfs/dbraw/zinc/49/11/45/622491145.db2.gz AMHLCXHXYAVEGN-GOSISDBHSA-N 0 0 297.354 2.618 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(O)cc1O)C1CC1 ZINC000910943740 622491179 /nfs/dbraw/zinc/49/11/79/622491179.db2.gz GOEBBEFEEKBDGQ-UHFFFAOYSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910944444 622491803 /nfs/dbraw/zinc/49/18/03/622491803.db2.gz MKMJXYNTUDUEOA-CVEARBPZSA-N 0 0 297.354 2.826 20 10 CFCDRN CCCC[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910945940 622491915 /nfs/dbraw/zinc/49/19/15/622491915.db2.gz FMQZOJIHFXZKGS-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910946794 622492439 /nfs/dbraw/zinc/49/24/39/622492439.db2.gz VBDICDIPOKTPLZ-OAHLLOKOSA-N 0 0 265.353 2.930 20 10 CFCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc2cccnc2c1O ZINC000911261212 622516309 /nfs/dbraw/zinc/51/63/09/622516309.db2.gz DLWXOKZIYBZTEE-GJZGRUSLSA-N 0 0 296.370 2.993 20 10 CFCDRN CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(N)cc2)CCO1 ZINC000911660146 622531688 /nfs/dbraw/zinc/53/16/88/622531688.db2.gz HBGZMMUGCZACJY-SMDDNHRTSA-N 0 0 262.353 2.659 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@@H]2CNc3ccccc32)cc1 ZINC000911783053 622551102 /nfs/dbraw/zinc/55/11/02/622551102.db2.gz PGJWCSSKDGKBMV-CQSZACIVSA-N 0 0 295.386 2.527 20 10 CFCDRN Nc1ccc(CCNC(=O)C[C@H]2CC=CCC2)cc1 ZINC000911782730 622551364 /nfs/dbraw/zinc/55/13/64/622551364.db2.gz LUCJZCUAZVONLR-AWEZNQCLSA-N 0 0 258.365 2.674 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)/C=C(\C)Cl)cc1 ZINC000911893336 622572111 /nfs/dbraw/zinc/57/21/11/622572111.db2.gz QQUCBJNNSBIVGC-VAWYXSNFSA-N 0 0 296.798 2.732 20 10 CFCDRN CCn1ccc(C(=O)N(C)Cc2ccccc2O)c1C ZINC000820877543 622779710 /nfs/dbraw/zinc/77/97/10/622779710.db2.gz AYHMZQKOWMHPKO-UHFFFAOYSA-N 0 0 272.348 2.794 20 10 CFCDRN CC(C)=C(C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000821060572 622836645 /nfs/dbraw/zinc/83/66/45/622836645.db2.gz JIIXCWDOSSGZKL-UHFFFAOYSA-N 0 0 263.337 2.503 20 10 CFCDRN CCOC(=O)c1c(C)n[nH]c1CSc1nccs1 ZINC000821078676 622842407 /nfs/dbraw/zinc/84/24/07/622842407.db2.gz XCWIUNWCJJFCSA-UHFFFAOYSA-N 0 0 283.378 2.644 20 10 CFCDRN COc1cc(C)cc(CN(C)Cc2cscn2)c1O ZINC000164205122 622941794 /nfs/dbraw/zinc/94/17/94/622941794.db2.gz XGLHDVCYKCZZBY-UHFFFAOYSA-N 0 0 278.377 2.798 20 10 CFCDRN CC(C)[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821728957 622966956 /nfs/dbraw/zinc/96/69/56/622966956.db2.gz OJVBJBIHHZETBV-GFCCVEGCSA-N 0 0 274.324 2.720 20 10 CFCDRN C[C@@H](C1CC1)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000821746797 622970803 /nfs/dbraw/zinc/97/08/03/622970803.db2.gz HQHNZFXVVANYDU-QMMMGPOBSA-N 0 0 251.351 2.857 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000224866823 623016982 /nfs/dbraw/zinc/01/69/82/623016982.db2.gz VDBPTSHPMQJFBW-ZYHUDNBSSA-N 0 0 269.772 2.686 20 10 CFCDRN CCC[C@H](OC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265375 623066666 /nfs/dbraw/zinc/06/66/66/623066666.db2.gz OLLOHIFFMYCTOK-HNNXBMFYSA-N 0 0 278.396 2.526 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000822296974 623074165 /nfs/dbraw/zinc/07/41/65/623074165.db2.gz PJNCXARCIIOZNY-KCQAQPDRSA-N 0 0 288.391 2.970 20 10 CFCDRN CC(C)n1cncc1CN(C)c1ccc2c(c1)OCO2 ZINC000822469627 623110989 /nfs/dbraw/zinc/11/09/89/623110989.db2.gz BNAPGCYSSGUCQW-UHFFFAOYSA-N 0 0 273.336 2.829 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495484 623116239 /nfs/dbraw/zinc/11/62/39/623116239.db2.gz HYMHVCHBBBZGMU-GDBMZVCRSA-N 0 0 272.392 2.949 20 10 CFCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000822572457 623129141 /nfs/dbraw/zinc/12/91/41/623129141.db2.gz MDEABJTXSPAVDI-ZDUSSCGKSA-N 0 0 262.353 2.722 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CC2)cc1F ZINC000822680198 623150174 /nfs/dbraw/zinc/15/01/74/623150174.db2.gz DWAKPTNFEXJHQH-AWEZNQCLSA-N 0 0 253.317 2.696 20 10 CFCDRN 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C[C@H](NC(=O)COC1(C)CCC1)c1ccc(N(C)C)cc1 ZINC000773028014 627770899 /nfs/dbraw/zinc/77/08/99/627770899.db2.gz XAUAVLGHMQNISR-ZDUSSCGKSA-N 0 0 290.407 2.889 20 10 CFCDRN C[C@@H](NC(=O)NCc1cccnc1)c1ccc(N(C)C)cc1 ZINC000773118137 627785045 /nfs/dbraw/zinc/78/50/45/627785045.db2.gz VHQYBBRBRMOCAU-CYBMUJFWSA-N 0 0 298.390 2.708 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1(F)CCCC1 ZINC000773340117 627807730 /nfs/dbraw/zinc/80/77/30/627807730.db2.gz LSZRSRCWTBCYAU-UHFFFAOYSA-N 0 0 251.301 2.633 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC2(C)C)c1 ZINC000773404608 627815292 /nfs/dbraw/zinc/81/52/92/627815292.db2.gz XRKLEYXWWRHKSV-CYBMUJFWSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000773404610 627815591 /nfs/dbraw/zinc/81/55/91/627815591.db2.gz XRKLEYXWWRHKSV-ZDUSSCGKSA-N 0 0 277.364 2.843 20 10 CFCDRN CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773411920 627816314 /nfs/dbraw/zinc/81/63/14/627816314.db2.gz VZJOJYJFAQUJLX-RYUDHWBXSA-N 0 0 295.452 2.864 20 10 CFCDRN 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2.683 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775034540 627986367 /nfs/dbraw/zinc/98/63/67/627986367.db2.gz ULZBKWNYIDHISG-LLVKDONJSA-N 0 0 294.351 2.977 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCC=CO2)cc1OC ZINC000775063034 627989723 /nfs/dbraw/zinc/98/97/23/627989723.db2.gz MNJSIFGBGBYXFK-ZDUSSCGKSA-N 0 0 263.337 2.833 20 10 CFCDRN C[C@@H](NCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775258024 628004361 /nfs/dbraw/zinc/00/43/61/628004361.db2.gz OZPQNWZEUNPAMS-LLVKDONJSA-N 0 0 288.313 2.736 20 10 CFCDRN C[C@@H](NC(=O)Cc1ccccc1O)c1ccc(N(C)C)cc1 ZINC000775407011 628021445 /nfs/dbraw/zinc/02/14/45/628021445.db2.gz QOUHDXLOEPCVTG-CYBMUJFWSA-N 0 0 298.386 2.878 20 10 CFCDRN C[C@@H](NC(=O)C1=CCCCO1)c1ccc(N(C)C)cc1 ZINC000775407345 628021813 /nfs/dbraw/zinc/02/18/13/628021813.db2.gz SQYKYIJTZDATSX-GFCCVEGCSA-N 0 0 274.364 2.624 20 10 CFCDRN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775411140 628022553 /nfs/dbraw/zinc/02/25/53/628022553.db2.gz PBRZTTNDLFPSEU-SNVBAGLBSA-N 0 0 287.363 2.848 20 10 CFCDRN C[C@H](NC(=O)C(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775411619 628022628 /nfs/dbraw/zinc/02/26/28/628022628.db2.gz REIBPKMOGDYNDR-NSHDSACASA-N 0 0 276.380 2.545 20 10 CFCDRN C[C@H](NC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000775432798 628025325 /nfs/dbraw/zinc/02/53/25/628025325.db2.gz NLCFKXJUTHIUFH-LBPRGKRZSA-N 0 0 261.369 2.619 20 10 CFCDRN Cc1nnc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1C1CC1 ZINC000775831841 628073317 /nfs/dbraw/zinc/07/33/17/628073317.db2.gz VDJNXBHDAIMUJV-LBPRGKRZSA-N 0 0 299.422 2.838 20 10 CFCDRN CCOC(=O)[C@H](CC)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833623 628074019 /nfs/dbraw/zinc/07/40/19/628074019.db2.gz FLUJNEQZZRIUMX-WFASDCNBSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1cccc2c1N(Cc1cc3c(cc1O)OCO3)CC2 ZINC000775971294 628088647 /nfs/dbraw/zinc/08/86/47/628088647.db2.gz HPXZULZMDGPULN-UHFFFAOYSA-N 0 0 283.327 2.992 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCCCC1 ZINC000776154510 628107319 /nfs/dbraw/zinc/10/73/19/628107319.db2.gz UDWVGYSZTMGRHO-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN C[C@@H](NC(=O)N1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000776240946 628121220 /nfs/dbraw/zinc/12/12/20/628121220.db2.gz YVBWXHMJNCPQOZ-CHWSQXEVSA-N 0 0 275.396 2.865 20 10 CFCDRN C[C@@H](NC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000776242855 628121243 /nfs/dbraw/zinc/12/12/43/628121243.db2.gz BHTHQNWKEFRRTO-LLVKDONJSA-N 0 0 261.369 2.617 20 10 CFCDRN C[C@@H](NC(=O)N1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000776244090 628121256 /nfs/dbraw/zinc/12/12/56/628121256.db2.gz FCWOUVIJOJPPSK-LLVKDONJSA-N 0 0 297.349 2.864 20 10 CFCDRN COCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776246415 628121291 /nfs/dbraw/zinc/12/12/91/628121291.db2.gz QREFMBQOHYMRRN-GFCCVEGCSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@H]1CCCC[C@H]1OCCOC(=O)c1cccc(O)c1O ZINC000776281917 628125920 /nfs/dbraw/zinc/12/59/20/628125920.db2.gz MDPQUCRXGUSUAR-SMDDNHRTSA-N 0 0 294.347 2.850 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(O)c1O ZINC000776281911 628126069 /nfs/dbraw/zinc/12/60/69/628126069.db2.gz MDPQUCRXGUSUAR-FZMZJTMJSA-N 0 0 294.347 2.850 20 10 CFCDRN C[C@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000776292353 628126981 /nfs/dbraw/zinc/12/69/81/628126981.db2.gz JGVIMYMXKQLGGQ-JSGCOSHPSA-N 0 0 260.381 2.805 20 10 CFCDRN CC(C)[C@@H](NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000776495862 628153904 /nfs/dbraw/zinc/15/39/04/628153904.db2.gz CIJBNQOPRPXEAY-CQSZACIVSA-N 0 0 279.380 2.848 20 10 CFCDRN Cc1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000776748417 628174097 /nfs/dbraw/zinc/17/40/97/628174097.db2.gz HJXCLQMOMPZUBS-UHFFFAOYSA-N 0 0 295.335 2.949 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 ZINC000008171249 634637588 /nfs/dbraw/zinc/63/75/88/634637588.db2.gz IPYPIMUMDVKTPZ-UHFFFAOYSA-N 0 0 286.350 2.751 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCO[C@H](C3CC3)C2)c1O ZINC000777222853 628209274 /nfs/dbraw/zinc/20/92/74/628209274.db2.gz SWPQBHGUCDNXMV-AWEZNQCLSA-N 0 0 281.783 2.965 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)nn1[C@H](C)C1CC1 ZINC000777419981 628223970 /nfs/dbraw/zinc/22/39/70/628223970.db2.gz QDUGEGQTZUOMQJ-GFCCVEGCSA-N 0 0 299.374 2.798 20 10 CFCDRN O=C(OCc1ccc(Cl)cn1)C1=CC(=O)CS1 ZINC000778116857 628278697 /nfs/dbraw/zinc/27/86/97/628278697.db2.gz BAEAHSYYSRJPIS-UHFFFAOYSA-N 0 0 269.709 2.859 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2CC=CCC2)c([N+](=O)[O-])c1 ZINC000778592002 628318804 /nfs/dbraw/zinc/31/88/04/628318804.db2.gz SCLWKNINODAARU-SOFGYWHQSA-N 0 0 288.303 2.547 20 10 CFCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778923295 628339589 /nfs/dbraw/zinc/33/95/89/628339589.db2.gz OLRNHEJOLNSJKA-OAHLLOKOSA-N 0 0 299.370 2.983 20 10 CFCDRN O=C(/C=C\c1ccccc1F)NCc1ccc(O)c(O)c1 ZINC000778916908 628339851 /nfs/dbraw/zinc/33/98/51/628339851.db2.gz RCUDOITWKCXHMB-VURMDHGXSA-N 0 0 287.290 2.567 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000779150513 628356208 /nfs/dbraw/zinc/35/62/08/628356208.db2.gz NRKKSDXCDRHHJJ-INIZCTEOSA-N 0 0 280.387 2.749 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(F)nc2)cc1OC ZINC000779166216 628357766 /nfs/dbraw/zinc/35/77/66/628357766.db2.gz VHTFVPHLAXFAOR-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc2cnccc2c1 ZINC000779221143 628360902 /nfs/dbraw/zinc/36/09/02/628360902.db2.gz OTXAJMZOTONQRE-IZZDOVSWSA-N 0 0 272.354 2.724 20 10 CFCDRN CN(Cc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779488765 628385567 /nfs/dbraw/zinc/38/55/67/628385567.db2.gz JHMCENIRDUHYGT-ALCCZGGFSA-N 0 0 289.356 2.831 20 10 CFCDRN CC(C)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779528680 628386549 /nfs/dbraw/zinc/38/65/49/628386549.db2.gz PNIFUTYQRNXXPP-BPJJOFIESA-N 0 0 275.348 2.616 20 10 CFCDRN Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1O ZINC000779533108 628387078 /nfs/dbraw/zinc/38/70/78/628387078.db2.gz WFAWIYMPGQQZSW-QPJJXVBHSA-N 0 0 285.299 2.764 20 10 CFCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H](CCO)c1ccccc1 ZINC000780691055 628487481 /nfs/dbraw/zinc/48/74/81/628487481.db2.gz AWYWHEZCNDIAFZ-ZDUSSCGKSA-N 0 0 291.372 2.649 20 10 CFCDRN Cc1ccc2c(c1)CCN2Cc1cc2c(cc1O)OCO2 ZINC000780769715 628496224 /nfs/dbraw/zinc/49/62/24/628496224.db2.gz ZSNRUWMCXSMQGM-UHFFFAOYSA-N 0 0 283.327 2.992 20 10 CFCDRN COc1cccc(O)c1CN1CCN(C)c2ccccc21 ZINC000780770077 628496493 /nfs/dbraw/zinc/49/64/93/628496493.db2.gz BPDAWNVBDMTXFX-UHFFFAOYSA-N 0 0 284.359 2.857 20 10 CFCDRN COC(=O)[C@H](NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000780894075 628502739 /nfs/dbraw/zinc/50/27/39/628502739.db2.gz WMGNSILRJAWYHP-LBPRGKRZSA-N 0 0 285.771 2.723 20 10 CFCDRN Cc1noc2ncc(NC(=O)c3ccc(C)c(O)c3O)cc12 ZINC000780921231 628504874 /nfs/dbraw/zinc/50/48/74/628504874.db2.gz KJWNLTBMNQPHNJ-UHFFFAOYSA-N 0 0 299.286 2.503 20 10 CFCDRN CCn1ncc(CN(CC2CC2)c2ccc(OC)cc2)n1 ZINC000852135063 634667529 /nfs/dbraw/zinc/66/75/29/634667529.db2.gz KNKRGCKSXFSKJC-UHFFFAOYSA-N 0 0 286.379 2.723 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(COC)ncn1 ZINC000782150280 628608503 /nfs/dbraw/zinc/60/85/03/628608503.db2.gz KDEOICVLASDGGH-UHFFFAOYSA-N 0 0 287.363 2.745 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1cc3c(cc1O)CCCC3)CC2 ZINC000782275655 628622148 /nfs/dbraw/zinc/62/21/48/628622148.db2.gz PENIJVMUQGYKLR-UHFFFAOYSA-N 0 0 297.402 2.792 20 10 CFCDRN C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccccc1O ZINC000783531718 628717530 /nfs/dbraw/zinc/71/75/30/628717530.db2.gz LVYAJQNSQLINDM-LLVKDONJSA-N 0 0 282.343 2.851 20 10 CFCDRN COC(=O)c1cncc(NCc2c(O)cccc2Cl)c1 ZINC000783830760 628748671 /nfs/dbraw/zinc/74/86/71/628748671.db2.gz DFEKFKWFYIECCE-UHFFFAOYSA-N 0 0 292.722 2.839 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCC2(CCCC2)C1 ZINC000783853405 628749677 /nfs/dbraw/zinc/74/96/77/628749677.db2.gz YRJKFBINKHNLCN-UHFFFAOYSA-N 0 0 275.348 2.894 20 10 CFCDRN C[C@H]1CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000783854870 628750135 /nfs/dbraw/zinc/75/01/35/628750135.db2.gz KFWTVKRYVAFKKM-JQWIXIFHSA-N 0 0 292.331 2.650 20 10 CFCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000784036306 628767627 /nfs/dbraw/zinc/76/76/27/628767627.db2.gz SSVORPOUPAYVTB-SWLSCSKDSA-N 0 0 291.391 2.686 20 10 CFCDRN CCC(CC)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784428386 628816077 /nfs/dbraw/zinc/81/60/77/628816077.db2.gz PLEXUEJCRXHHPI-SNVBAGLBSA-N 0 0 294.347 2.896 20 10 CFCDRN CCC[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C ZINC000784445793 628817225 /nfs/dbraw/zinc/81/72/25/628817225.db2.gz NOKORBJGQSZKMY-LBPRGKRZSA-N 0 0 294.347 2.896 20 10 CFCDRN O=C(OC[C@H]1CCC2(CCCC2)O1)c1cccc(O)c1O ZINC000784787608 628842394 /nfs/dbraw/zinc/84/23/94/628842394.db2.gz KJCFFEQOQKVOKT-LLVKDONJSA-N 0 0 292.331 2.746 20 10 CFCDRN O=C(O[C@@H]1CCc2ccccc21)c1cccc(O)c1O ZINC000784796660 628843141 /nfs/dbraw/zinc/84/31/41/628843141.db2.gz BBPOXMJPQFLYQE-CQSZACIVSA-N 0 0 270.284 2.942 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784811134 628843809 /nfs/dbraw/zinc/84/38/09/628843809.db2.gz WYCREWMKLVEIMW-ZBEGNZNMSA-N 0 0 292.331 2.506 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000784894033 628849791 /nfs/dbraw/zinc/84/97/91/628849791.db2.gz QFRSYPAMOOLUKN-UKRRQHHQSA-N 0 0 290.407 2.747 20 10 CFCDRN CCOc1ccc(CNc2cnc3n[nH]c(C)c3c2)c(O)c1 ZINC000786193726 628941769 /nfs/dbraw/zinc/94/17/69/628941769.db2.gz TYDKHMFRKCWOAF-UHFFFAOYSA-N 0 0 298.346 2.983 20 10 CFCDRN CC(C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000786735264 628976969 /nfs/dbraw/zinc/97/69/69/628976969.db2.gz VUYZUKSCFLLERJ-NSHDSACASA-N 0 0 290.285 2.778 20 10 CFCDRN CC(C)[C@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000786836642 628981687 /nfs/dbraw/zinc/98/16/87/628981687.db2.gz NRIABWJMZNANOG-LBPRGKRZSA-N 0 0 291.269 2.797 20 10 CFCDRN CN(C)c1ccc(OCC(=O)NC2CCCCCC2)cc1 ZINC000786862910 628982023 /nfs/dbraw/zinc/98/20/23/628982023.db2.gz GXKLVJNWNZPYQR-UHFFFAOYSA-N 0 0 290.407 2.970 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H](O)CC(F)(F)F ZINC000787162761 628997233 /nfs/dbraw/zinc/99/72/33/628997233.db2.gz OGPXRVWPAPOVPG-LLVKDONJSA-N 0 0 289.297 2.761 20 10 CFCDRN COC(C)(C)CCN1CCOc2cc(N(C)C)ccc21 ZINC000787271966 629003053 /nfs/dbraw/zinc/00/30/53/629003053.db2.gz OWQUCTBRXGNGKQ-UHFFFAOYSA-N 0 0 278.396 2.767 20 10 CFCDRN O=C(NCc1cccc2cc[nH]c21)c1cccc(O)c1O ZINC000787366915 629009413 /nfs/dbraw/zinc/00/94/13/629009413.db2.gz LXUKZDPUUAFBHX-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCN1c1ccccc1 ZINC000787447000 629013306 /nfs/dbraw/zinc/01/33/06/629013306.db2.gz VXEYGFIJAYSHRQ-MRXNPFEDSA-N 0 0 296.370 2.677 20 10 CFCDRN O=C(NCc1cccc2cc[nH]c21)C1=CC(=O)CS1 ZINC000788005438 629047193 /nfs/dbraw/zinc/04/71/93/629047193.db2.gz FMPAAIVARILYLF-UHFFFAOYSA-N 0 0 272.329 2.865 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc2[nH]ccc2c1 ZINC000788263472 629053638 /nfs/dbraw/zinc/05/36/38/629053638.db2.gz AAVXALSQBWISIM-QPJJXVBHSA-N 0 0 294.358 2.968 20 10 CFCDRN COc1nn(C)cc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000788983821 629113789 /nfs/dbraw/zinc/11/37/89/629113789.db2.gz HNFXOAHQNHCXMF-WPRPVWTQSA-N 0 0 291.326 2.934 20 10 CFCDRN COc1nn(C)cc1N[C@@H](C)c1ccc(C)cc1O ZINC000788983719 629114116 /nfs/dbraw/zinc/11/41/16/629114116.db2.gz FVWLWIYCEDKIPL-JTQLQIEISA-N 0 0 261.325 2.616 20 10 CFCDRN C[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1ccc(N(C)C)cc1 ZINC000789851649 629191888 /nfs/dbraw/zinc/19/18/88/629191888.db2.gz TYPGZCYWSAJRBD-LLVKDONJSA-N 0 0 298.390 2.844 20 10 CFCDRN Cc1cc(C(=O)Nc2cn[nH]n2)c(C)n1-c1ccccc1C ZINC000789926878 629197231 /nfs/dbraw/zinc/19/72/31/629197231.db2.gz FVKXDROFNJWFRU-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN CC(C)CC[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000789953635 629199738 /nfs/dbraw/zinc/19/97/38/629199738.db2.gz WJFQFHXRPYSGGX-VIFPVBQESA-N 0 0 269.316 2.791 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(-n3cncn3)cn2)cc1C ZINC000790246996 629222284 /nfs/dbraw/zinc/22/22/84/629222284.db2.gz CTXPMXWQZPOGSN-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN CN(C)c1ccnc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790240863 629222543 /nfs/dbraw/zinc/22/25/43/629222543.db2.gz LANAWVGZMULOQD-UHFFFAOYSA-N 0 0 296.733 2.653 20 10 CFCDRN COc1cccc(CNc2cccc(N3CCC3=O)c2)c1O ZINC000790496747 629243479 /nfs/dbraw/zinc/24/34/79/629243479.db2.gz NNJDRKNSXXSRIP-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)cn1 ZINC000790555740 629247713 /nfs/dbraw/zinc/24/77/13/629247713.db2.gz BFKAIFFAUHIODZ-UHFFFAOYSA-N 0 0 288.303 2.532 20 10 CFCDRN CC(C)c1cccnc1NC(=O)c1cccc(O)c1O ZINC000790903398 629270559 /nfs/dbraw/zinc/27/05/59/629270559.db2.gz CMTKNQKKBIROSR-UHFFFAOYSA-N 0 0 272.304 2.869 20 10 CFCDRN CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000790932264 629271980 /nfs/dbraw/zinc/27/19/80/629271980.db2.gz XHTMAPBMDNJRMM-ZETCQYMHSA-N 0 0 277.242 2.559 20 10 CFCDRN CONC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000790938247 629272747 /nfs/dbraw/zinc/27/27/47/629272747.db2.gz SITKSIHJXFJQSC-UHFFFAOYSA-N 0 0 292.766 2.968 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790949843 629273749 /nfs/dbraw/zinc/27/37/49/629273749.db2.gz PMSWXSSICMODCV-STQMWFEESA-N 0 0 298.789 2.901 20 10 CFCDRN CCc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)[nH]n1 ZINC000790965618 629274497 /nfs/dbraw/zinc/27/44/97/629274497.db2.gz UNLCVJDRMJZVMR-UHFFFAOYSA-N 0 0 283.734 2.760 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCN1C ZINC000790972726 629275938 /nfs/dbraw/zinc/27/59/38/629275938.db2.gz GDUBEYZGEZJWFW-ZJUUUORDSA-N 0 0 286.778 2.757 20 10 CFCDRN Cc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)ncn1 ZINC000790981193 629276932 /nfs/dbraw/zinc/27/69/32/629276932.db2.gz TUHCUGQJRRQPTG-UHFFFAOYSA-N 0 0 281.718 2.573 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C)Cc2ccon2)cc1 ZINC000835025107 629320108 /nfs/dbraw/zinc/32/01/08/629320108.db2.gz FDMDIUCKRXDTFV-SNAWJCMRSA-N 0 0 271.364 2.886 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C(C)(C)C(F)F)ccc21 ZINC000791551402 629331210 /nfs/dbraw/zinc/33/12/10/629331210.db2.gz BOUUSVFKEIVWCM-UHFFFAOYSA-N 0 0 296.361 2.977 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCO[C@H](C3CC3)C2)cc1 ZINC000835044330 629340467 /nfs/dbraw/zinc/34/04/67/629340467.db2.gz AFWAODPRICASCK-WHLIDYPQSA-N 0 0 286.419 2.877 20 10 CFCDRN CN(C)c1ccc(/C=C\CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000835044327 629340628 /nfs/dbraw/zinc/34/06/28/629340628.db2.gz AFWAODPRICASCK-DDKKJVIOSA-N 0 0 286.419 2.877 20 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288.395 2.876 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc(F)cc1[O-] ZINC000796815646 629971572 /nfs/dbraw/zinc/97/15/72/629971572.db2.gz FLXFLRCPJUAQFL-KBPBESRZSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(F)cc1[O-] ZINC000796846168 629978278 /nfs/dbraw/zinc/97/82/78/629978278.db2.gz FKOPWKDYTRJWKK-CQSZACIVSA-N 0 0 296.386 2.734 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797064078 630012039 /nfs/dbraw/zinc/01/20/39/630012039.db2.gz FXKPPPWQVXZACY-VDDIYKPWSA-N 0 0 282.365 2.703 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000797065613 630012176 /nfs/dbraw/zinc/01/21/76/630012176.db2.gz MOGZGKNIORCXCZ-NRUUGDAUSA-N 0 0 295.404 2.581 20 10 CFCDRN CC1=C[C@@H](C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000797778682 630102761 /nfs/dbraw/zinc/10/27/61/630102761.db2.gz XUYGPOFSJAQCTM-VLWUPBBWSA-N 0 0 273.332 2.536 20 10 CFCDRN Cc1cc[nH]c1C(=O)NCCCSc1nccs1 ZINC000797873756 630115317 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/nfs/dbraw/zinc/90/49/38/630904938.db2.gz HZBDTTSTKXCCCF-UHFFFAOYSA-N 0 0 251.351 2.860 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000836886190 630908753 /nfs/dbraw/zinc/90/87/53/630908753.db2.gz USEWIKULRZSYFL-JVFCZRSFSA-N 0 0 299.370 2.758 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(n2)CCC3=O)cc1 ZINC000807918413 630922563 /nfs/dbraw/zinc/92/25/63/630922563.db2.gz QNESVTSIRHAWIA-UHFFFAOYSA-N 0 0 281.359 2.889 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1CCC1 ZINC000041405419 649990484 /nfs/dbraw/zinc/99/04/84/649990484.db2.gz GGXZMZPJVIJHSK-UHFFFAOYSA-N 0 0 287.407 2.886 20 10 CFCDRN CC(=O)C(=O)CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000808034481 630943831 /nfs/dbraw/zinc/94/38/31/630943831.db2.gz VAGFGMMPNVNWII-UHFFFAOYSA-N 0 0 274.345 2.635 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)SC ZINC000808095659 630950200 /nfs/dbraw/zinc/95/02/00/630950200.db2.gz NKUIBKIJSGZTQI-LLVKDONJSA-N 0 0 288.409 2.636 20 10 CFCDRN Cc1cc(O)c(CNc2cnccc2-n2ccnn2)cc1C ZINC000808425770 630990197 /nfs/dbraw/zinc/99/01/97/630990197.db2.gz KAGWBLZFTIEDPY-UHFFFAOYSA-N 0 0 295.346 2.597 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2[nH]ccc2C2CC2)cc1 ZINC000837317213 630996188 /nfs/dbraw/zinc/99/61/88/630996188.db2.gz QHEADLPIFNAGLH-UHFFFAOYSA-N 0 0 283.375 2.888 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000808516240 631006223 /nfs/dbraw/zinc/00/62/23/631006223.db2.gz FVFQMZDWVSXDES-CVEARBPZSA-N 0 0 296.322 2.645 20 10 CFCDRN CCC(C)(C)OCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000837485873 631045768 /nfs/dbraw/zinc/04/57/68/631045768.db2.gz RHYQLZAAUOBTRM-LLVKDONJSA-N 0 0 295.379 2.783 20 10 CFCDRN C[C@H](NC(=O)[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000837543374 631061721 /nfs/dbraw/zinc/06/17/21/631061721.db2.gz VAKKQDCMUIYHBK-SUMWQHHRSA-N 0 0 290.407 2.889 20 10 CFCDRN CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cccc(F)c1O ZINC000840828674 631233300 /nfs/dbraw/zinc/23/33/00/631233300.db2.gz OXAROYLBUKSTPT-CYBMUJFWSA-N 0 0 294.370 2.786 20 10 CFCDRN CCOC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000840939188 631269895 /nfs/dbraw/zinc/26/98/95/631269895.db2.gz VGNNGCKULSZLAR-MRXNPFEDSA-N 0 0 290.407 2.589 20 10 CFCDRN Cc1cc(O)c(CN(C)C[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000840948856 631276344 /nfs/dbraw/zinc/27/63/44/631276344.db2.gz LRQFLFWRBNKFBA-NSHDSACASA-N 0 0 297.704 2.709 20 10 CFCDRN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000840975954 631291073 /nfs/dbraw/zinc/29/10/73/631291073.db2.gz ATDQTUAROMQRDZ-ZJUUUORDSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840980140 631294257 /nfs/dbraw/zinc/29/42/57/631294257.db2.gz WKHUBTNTYROKRF-KOLCDFICSA-N 0 0 287.762 2.825 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1C ZINC000809868616 631296335 /nfs/dbraw/zinc/29/63/35/631296335.db2.gz QAOFBPQJYONJNH-UHFFFAOYSA-N 0 0 286.379 2.815 20 10 CFCDRN CC[C@@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000840996733 631298461 /nfs/dbraw/zinc/29/84/61/631298461.db2.gz KAPZGSFTHLXLGR-PSKZRQQASA-N 0 0 290.407 2.951 20 10 CFCDRN COc1cc(OC)c(OC)cc1CNc1ccc(N)cc1 ZINC000841040194 631317684 /nfs/dbraw/zinc/31/76/84/631317684.db2.gz MGQIRSYHFKRWKI-UHFFFAOYSA-N 0 0 288.347 2.907 20 10 CFCDRN NC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000841087118 631335946 /nfs/dbraw/zinc/33/59/46/631335946.db2.gz MZHXXKMZTBMPBU-CYBMUJFWSA-N 0 0 268.788 2.653 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000841121145 631343604 /nfs/dbraw/zinc/34/36/04/631343604.db2.gz LTLBAIJRZDYWOP-INIZCTEOSA-N 0 0 292.423 2.738 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCSC1 ZINC000810411109 631368874 /nfs/dbraw/zinc/36/88/74/631368874.db2.gz IPUJTCOQPKWUFF-CQSZACIVSA-N 0 0 292.448 2.820 20 10 CFCDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000841296775 631377061 /nfs/dbraw/zinc/37/70/61/631377061.db2.gz ICSWGEYKYWJROX-VIFPVBQESA-N 0 0 261.247 2.731 20 10 CFCDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2C(F)F)cc1 ZINC000841298361 631377150 /nfs/dbraw/zinc/37/71/50/631377150.db2.gz AZMROJSATLSBRM-LLVKDONJSA-N 0 0 269.295 2.920 20 10 CFCDRN CN(C(=O)Nc1ccc(N)cc1)[C@H](CO)CC(C)(C)C ZINC000841297187 631377241 /nfs/dbraw/zinc/37/72/41/631377241.db2.gz CCYWCOQEEVAWIB-ZDUSSCGKSA-N 0 0 279.384 2.530 20 10 CFCDRN C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(N)cc2)CCO1 ZINC000841296452 631377448 /nfs/dbraw/zinc/37/74/48/631377448.db2.gz SPHHQAIANSUBHH-RYUDHWBXSA-N 0 0 277.368 2.596 20 10 CFCDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841300144 631377776 /nfs/dbraw/zinc/37/77/76/631377776.db2.gz OLTVGDFIJPXCHA-UONOGXRCSA-N 0 0 289.379 2.738 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000841298588 631377885 /nfs/dbraw/zinc/37/78/85/631377885.db2.gz QWXOLVPOCHPLCD-AWEZNQCLSA-N 0 0 289.379 2.882 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000841298591 631377949 /nfs/dbraw/zinc/37/79/49/631377949.db2.gz QWXOLVPOCHPLCD-CQSZACIVSA-N 0 0 289.379 2.882 20 10 CFCDRN C[C@@]12CN(C(=O)Nc3ccc(N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000841300327 631378559 /nfs/dbraw/zinc/37/85/59/631378559.db2.gz USSSJWFKSRIRFA-LMMLAZSQSA-N 0 0 283.375 2.945 20 10 CFCDRN CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841300497 631378773 /nfs/dbraw/zinc/37/87/73/631378773.db2.gz QOBZVNHNCYIEJB-NSHDSACASA-N 0 0 287.367 2.929 20 10 CFCDRN CC(C)COC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301708 631379041 /nfs/dbraw/zinc/37/90/41/631379041.db2.gz WMUDLLUUAAUWSD-UHFFFAOYSA-N 0 0 291.395 2.938 20 10 CFCDRN CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841300495 631379204 /nfs/dbraw/zinc/37/92/04/631379204.db2.gz QOBZVNHNCYIEJB-LLVKDONJSA-N 0 0 287.367 2.929 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)OCCCF)c1 ZINC000841492173 631417184 /nfs/dbraw/zinc/41/71/84/631417184.db2.gz DBJQWFCKSLVOKF-VIFPVBQESA-N 0 0 271.288 2.548 20 10 CFCDRN C[C@@H]([NH2+]C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841744355 631462037 /nfs/dbraw/zinc/46/20/37/631462037.db2.gz HBWZLZLGJAORMN-SECBINFHSA-N 0 0 255.745 2.875 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841736564 631462626 /nfs/dbraw/zinc/46/26/26/631462626.db2.gz CFRQFUCOPJNRFL-NWDGAFQWSA-N 0 0 263.385 2.545 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841746452 631463061 /nfs/dbraw/zinc/46/30/61/631463061.db2.gz ZEVFBTDNRVVCLS-VHSXEESVSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841746516 631463487 /nfs/dbraw/zinc/46/34/87/631463487.db2.gz HDNYUSKCCUOMSW-VHSXEESVSA-N 0 0 256.777 2.646 20 10 CFCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751086 631465698 /nfs/dbraw/zinc/46/56/98/631465698.db2.gz FNGOYBGFGDZEBW-UWVGGRQHSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(Cl)cc1[O-] ZINC000841753884 631466504 /nfs/dbraw/zinc/46/65/04/631466504.db2.gz NYZIQPZYPNGAMH-JTQLQIEISA-N 0 0 269.772 2.859 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC000841808859 631473800 /nfs/dbraw/zinc/47/38/00/631473800.db2.gz QJIMYZKZVTXDLW-NEPJUHHUSA-N 0 0 296.386 2.871 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 ZINC000841810655 631474561 /nfs/dbraw/zinc/47/45/61/631474561.db2.gz CQRZDSZNHGWHLX-CABCVRRESA-N 0 0 288.391 2.652 20 10 CFCDRN CC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccncc1 ZINC000841834183 631478323 /nfs/dbraw/zinc/47/83/23/631478323.db2.gz BKALTGIHZRVHJF-MRXNPFEDSA-N 0 0 298.390 2.657 20 10 CFCDRN CSCCCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841881798 631486793 /nfs/dbraw/zinc/48/67/93/631486793.db2.gz DIAQHIUWGBJCOH-UHFFFAOYSA-N 0 0 295.452 2.644 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCc1cccs1 ZINC000043310047 650012861 /nfs/dbraw/zinc/01/28/61/650012861.db2.gz XDZCTTXSCTUYGI-UHFFFAOYSA-N 0 0 290.388 2.838 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCCC2(F)F)cc1 ZINC000841910860 631493193 /nfs/dbraw/zinc/49/31/93/631493193.db2.gz OZVZGZIBLSCIQA-LBPRGKRZSA-N 0 0 297.349 2.546 20 10 CFCDRN Nc1ccc(CCNC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000841955634 631495779 /nfs/dbraw/zinc/49/57/79/631495779.db2.gz ITFPJDRPJQHYMS-DLBZAZTESA-N 0 0 299.418 2.641 20 10 CFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)NCCc1ccc(N)cc1 ZINC000841958982 631496261 /nfs/dbraw/zinc/49/62/61/631496261.db2.gz JOUYDNXOGNKNEK-SWLSCSKDSA-N 0 0 275.396 2.784 20 10 CFCDRN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C(C)(C)C1 ZINC000841957726 631496629 /nfs/dbraw/zinc/49/66/29/631496629.db2.gz LMDIIRVPPADSKF-LBPRGKRZSA-N 0 0 275.396 2.641 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000841958290 631496642 /nfs/dbraw/zinc/49/66/42/631496642.db2.gz YJPBDCHWCOVNOR-HNNXBMFYSA-N 0 0 287.407 2.643 20 10 CFCDRN C[C@@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841959701 631496722 /nfs/dbraw/zinc/49/67/22/631496722.db2.gz OXXDBCPDUCYEJG-CYBMUJFWSA-N 0 0 275.396 2.643 20 10 CFCDRN CC1(C)CCC[C@@H](OC(=O)C2=CC(=O)CS2)C1=O ZINC000840229281 631540301 /nfs/dbraw/zinc/54/03/01/631540301.db2.gz XHMNKEFDBHTIIS-SECBINFHSA-N 0 0 268.334 2.758 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1n[nH]cc1C ZINC000811488048 631569569 /nfs/dbraw/zinc/56/95/69/631569569.db2.gz HETNYERKQIFSRK-UHFFFAOYSA-N 0 0 257.337 2.680 20 10 CFCDRN CN(C)c1ccc(CN2CCCc3n[nH]cc32)cc1F ZINC000811497869 631571838 /nfs/dbraw/zinc/57/18/38/631571838.db2.gz WUJLEDKNUPIEIJ-UHFFFAOYSA-N 0 0 274.343 2.568 20 10 CFCDRN O=C(Nc1cccc2[nH]c(=O)oc21)C1=CC(=O)CS1 ZINC000811597231 631584341 /nfs/dbraw/zinc/58/43/41/631584341.db2.gz CZYQQTDBMYRUAC-UHFFFAOYSA-N 0 0 276.273 2.553 20 10 CFCDRN Cc1nccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000811781835 631622760 /nfs/dbraw/zinc/62/27/60/631622760.db2.gz VFTHKYQNKASJDT-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN Oc1ccc(CCNc2nc(-c3ccccc3)no2)cc1O ZINC000811811160 631625592 /nfs/dbraw/zinc/62/55/92/631625592.db2.gz NYCUBZWVOLLKHO-UHFFFAOYSA-N 0 0 297.314 2.802 20 10 CFCDRN Cc1nccnc1NCc1cc(Br)ccc1O ZINC000811847036 631632599 /nfs/dbraw/zinc/63/25/99/631632599.db2.gz OEJKNWFFLQHGCP-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC000812042736 631655215 /nfs/dbraw/zinc/65/52/15/631655215.db2.gz KYSBRZQLQDHAOB-UHFFFAOYSA-N 0 0 274.368 2.763 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000812357680 631695298 /nfs/dbraw/zinc/69/52/98/631695298.db2.gz RVAXZNVXGXTIGL-DGCLKSJQSA-N 0 0 293.388 2.627 20 10 CFCDRN CN(C)c1ccc(CNc2ccc3c(c2)nnn3C)cc1F ZINC000842741658 631724562 /nfs/dbraw/zinc/72/45/62/631724562.db2.gz IIXDYIQSYDQFPJ-UHFFFAOYSA-N 0 0 299.353 2.786 20 10 CFCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812780510 631772843 /nfs/dbraw/zinc/77/28/43/631772843.db2.gz GVZFWAKBVJXEIY-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000843045816 631814080 /nfs/dbraw/zinc/81/40/80/631814080.db2.gz KTAQYRHGNRBQQW-ZWNOBZJWSA-N 0 0 268.788 2.747 20 10 CFCDRN C[C@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F ZINC000840277060 631816091 /nfs/dbraw/zinc/81/60/91/631816091.db2.gz QKDKJPBJNGDOQM-VIFPVBQESA-N 0 0 290.285 2.780 20 10 CFCDRN CCCN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843051642 631816453 /nfs/dbraw/zinc/81/64/53/631816453.db2.gz AUSGGELGBFYXCO-LBPRGKRZSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054337 631817880 /nfs/dbraw/zinc/81/78/80/631817880.db2.gz KZYGMRVAZLISTL-NEPJUHHUSA-N 0 0 284.762 2.511 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C2CC2)C1 ZINC000813071642 631825647 /nfs/dbraw/zinc/82/56/47/631825647.db2.gz CKHXJZZOCOUIDO-UHFFFAOYSA-N 0 0 287.407 2.612 20 10 CFCDRN O=C(NCCCSc1nccs1)N1CC(C2CC2)C1 ZINC000813098476 631835813 /nfs/dbraw/zinc/83/58/13/631835813.db2.gz IVLMQDQQSZSGTE-UHFFFAOYSA-N 0 0 297.449 2.677 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843108043 631837260 /nfs/dbraw/zinc/83/72/60/631837260.db2.gz XBCXQDUNIPKJHM-TXEJJXNPSA-N 0 0 284.762 2.511 20 10 CFCDRN CC(C)CO[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158950 631870305 /nfs/dbraw/zinc/87/03/05/631870305.db2.gz IZYBAFKUAFWELW-NSHDSACASA-N 0 0 275.352 2.976 20 10 CFCDRN Nc1ccc(Cc2noc(C3(C(F)F)CC3)n2)cc1 ZINC000843159944 631871354 /nfs/dbraw/zinc/87/13/54/631871354.db2.gz DEUNMZBUYCVNBN-UHFFFAOYSA-N 0 0 265.263 2.539 20 10 CFCDRN CC[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1 ZINC000843159487 631871502 /nfs/dbraw/zinc/87/15/02/631871502.db2.gz RBEJLRIYOPSKKQ-GXTWGEPZSA-N 0 0 287.363 2.915 20 10 CFCDRN Nc1ccc(Cc2noc(CSC(F)(F)F)n2)cc1 ZINC000843160689 631872006 /nfs/dbraw/zinc/87/20/06/631872006.db2.gz ZSVVAMOYKFZTTD-UHFFFAOYSA-N 0 0 289.282 2.996 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C/C(C)(C)C)c1 ZINC000155993615 650039767 /nfs/dbraw/zinc/03/97/67/650039767.db2.gz RPNDDWJYIDYJIL-BQYQJAHWSA-N 0 0 263.337 2.619 20 10 CFCDRN CC[C@H](C)C[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC ZINC000843415285 631947945 /nfs/dbraw/zinc/94/79/45/631947945.db2.gz IMFYAKGKRUEVLA-WFASDCNBSA-N 0 0 291.391 2.689 20 10 CFCDRN CC[C@@H](C)C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC ZINC000843415953 631948105 /nfs/dbraw/zinc/94/81/05/631948105.db2.gz NKTPAVVNGMZKGM-CZUORRHYSA-N 0 0 292.423 2.820 20 10 CFCDRN CC[C@@H]1CCN1C(=O)NCCCSc1nccs1 ZINC000813681454 631949745 /nfs/dbraw/zinc/94/97/45/631949745.db2.gz PAJNCKNMDLHEPJ-SNVBAGLBSA-N 0 0 285.438 2.819 20 10 CFCDRN COC(=O)[C@@H](CC(C)(C)C)NCc1cc(F)ccc1O ZINC000843424039 631953623 /nfs/dbraw/zinc/95/36/23/631953623.db2.gz UBOYKJSDHGVYPW-GFCCVEGCSA-N 0 0 283.343 2.599 20 10 CFCDRN Cc1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000813818591 631961999 /nfs/dbraw/zinc/96/19/99/631961999.db2.gz XNQVCCVYMQAFBU-LLVKDONJSA-N 0 0 273.336 2.540 20 10 CFCDRN COc1ccccc1C1(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000843507563 631969146 /nfs/dbraw/zinc/96/91/46/631969146.db2.gz KHMZGWOBHFTECZ-UHFFFAOYSA-N 0 0 296.370 2.625 20 10 CFCDRN C[C@@H]1CC2(CCC2)CN1C(=O)Cc1ccc(N)cc1 ZINC000843513646 631971843 /nfs/dbraw/zinc/97/18/43/631971843.db2.gz KWTXOGYMNVEPBM-GFCCVEGCSA-N 0 0 258.365 2.602 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(F)CC2)cc1 ZINC000843523013 631974937 /nfs/dbraw/zinc/97/49/37/631974937.db2.gz PNWOFFHTFHDCRE-UHFFFAOYSA-N 0 0 278.371 2.993 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2(F)CC2)cc1 ZINC000843532178 631977821 /nfs/dbraw/zinc/97/78/21/631977821.db2.gz VPHWWXIEJBKCSL-UHFFFAOYSA-N 0 0 264.344 2.651 20 10 CFCDRN COc1ccc2c(c1)CCN2CCC1CCOCC1 ZINC000814625951 632100247 /nfs/dbraw/zinc/10/02/47/632100247.db2.gz MQAWUSNKTMMYBW-UHFFFAOYSA-N 0 0 261.365 2.874 20 10 CFCDRN COc1ccc(-n2c(C)cc(C(=O)NC3CC3)c2C)cc1 ZINC000010742293 635711531 /nfs/dbraw/zinc/71/15/31/635711531.db2.gz KLDFUMXYWBSUFE-UHFFFAOYSA-N 0 0 284.359 2.995 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1 ZINC000844352867 632176803 /nfs/dbraw/zinc/17/68/03/632176803.db2.gz AQNQJRBVEATGGS-CYBMUJFWSA-N 0 0 276.380 2.532 20 10 CFCDRN COc1ccc(N(C)Cc2ccnc(OC)c2)cc1 ZINC000844352967 632177824 /nfs/dbraw/zinc/17/78/24/632177824.db2.gz LNHILZPGHAXROC-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(OC)n2)cc1 ZINC000844353015 632178104 /nfs/dbraw/zinc/17/81/04/632178104.db2.gz NYIODSJKYBFCPJ-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN COC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815009055 632187204 /nfs/dbraw/zinc/18/72/04/632187204.db2.gz YGWXGMVSPAQOKX-MRXNPFEDSA-N 0 0 290.407 2.589 20 10 CFCDRN CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815032858 632189808 /nfs/dbraw/zinc/18/98/08/632189808.db2.gz NXHRCGRCVFKRDY-UHFFFAOYSA-N 0 0 292.423 2.835 20 10 CFCDRN Cc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815062212 632194241 /nfs/dbraw/zinc/19/42/41/632194241.db2.gz PPLNAWJOFBNOSY-UONOGXRCSA-N 0 0 262.397 2.670 20 10 CFCDRN COC/C(C)=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000844485976 632229409 /nfs/dbraw/zinc/22/94/09/632229409.db2.gz SFYPMMAWXSCMKC-RSKUSDAESA-N 0 0 276.380 2.523 20 10 CFCDRN CC1(NC(=S)NCc2cc(Cl)ccc2O)CCC1 ZINC000844584249 632254867 /nfs/dbraw/zinc/25/48/67/632254867.db2.gz QYESWUSJEZHXSC-UHFFFAOYSA-N 0 0 284.812 2.952 20 10 CFCDRN C[C@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815580896 632291474 /nfs/dbraw/zinc/29/14/74/632291474.db2.gz SRFFYTXSRHCYKD-IUCAKERBSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)O)c1cccc(C(F)(F)F)c1[O-] ZINC000815578858 632291507 /nfs/dbraw/zinc/29/15/07/632291507.db2.gz ZCQBHMUIGWHVQV-QMMMGPOBSA-N 0 0 277.286 2.833 20 10 CFCDRN C[C@H]([NH2+]Cc1cncn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628377 632301561 /nfs/dbraw/zinc/30/15/61/632301561.db2.gz YQYMOCBECUCBLC-VIFPVBQESA-N 0 0 299.296 2.995 20 10 CFCDRN C[C@@H]([NH2+]Cc1cncn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628376 632301916 /nfs/dbraw/zinc/30/19/16/632301916.db2.gz YQYMOCBECUCBLC-SECBINFHSA-N 0 0 299.296 2.995 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000815651691 632305473 /nfs/dbraw/zinc/30/54/73/632305473.db2.gz ZYHICZPBBYAISN-SECBINFHSA-N 0 0 293.317 2.662 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2CC3(CCC3)C2)cc1 ZINC000844781055 632306572 /nfs/dbraw/zinc/30/65/72/632306572.db2.gz CBNVQRTYTSTHAF-UHFFFAOYSA-N 0 0 287.407 2.885 20 10 CFCDRN CC/C=C(/C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844852281 632323232 /nfs/dbraw/zinc/32/32/32/632323232.db2.gz HLXYAOLNBODIJV-AUWJEWJLSA-N 0 0 290.407 2.946 20 10 CFCDRN COc1cccc(CNC(=O)CCc2ccsc2)c1O ZINC000105652833 632325849 /nfs/dbraw/zinc/32/58/49/632325849.db2.gz QMOHPWRRLQDBAI-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN CSCC1(Cc2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000844906254 632332830 /nfs/dbraw/zinc/33/28/30/632332830.db2.gz MUTGVNKMXJLSQX-UHFFFAOYSA-N 0 0 289.404 2.928 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000844936092 632341717 /nfs/dbraw/zinc/34/17/17/632341717.db2.gz TWFQCGIHDYNJMX-BBRMVZONSA-N 0 0 290.407 2.970 20 10 CFCDRN CC[C@@H](C(=O)[O-])[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000844938976 632342514 /nfs/dbraw/zinc/34/25/14/632342514.db2.gz XOTAXJLUZMMYMQ-LFAOLKIESA-N 0 0 276.380 2.561 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](F)C1 ZINC000844987056 632352404 /nfs/dbraw/zinc/35/24/04/632352404.db2.gz AEEMVZSLXGJZPB-AWEZNQCLSA-N 0 0 293.386 2.705 20 10 CFCDRN CSCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845000086 632355095 /nfs/dbraw/zinc/35/50/95/632355095.db2.gz FDFLBPXIWGTRLQ-UHFFFAOYSA-N 0 0 288.800 2.598 20 10 CFCDRN C[C@H](NC(=O)N1CCC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC000845126154 632371892 /nfs/dbraw/zinc/37/18/92/632371892.db2.gz XBUCEUFPRNXEAD-JSGCOSHPSA-N 0 0 293.386 2.957 20 10 CFCDRN Cc1cc(=O)[nH]c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000816180133 632388306 /nfs/dbraw/zinc/38/83/06/632388306.db2.gz GIFAVWGDQOOXKR-GFCCVEGCSA-N 0 0 299.374 2.653 20 10 CFCDRN NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816498177 632471102 /nfs/dbraw/zinc/47/11/02/632471102.db2.gz JSIRFTHGRBUWRC-OAHLLOKOSA-N 0 0 298.386 2.775 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000816511419 632474823 /nfs/dbraw/zinc/47/48/23/632474823.db2.gz XEMJDGHVVRGZRK-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN COc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816534228 632479394 /nfs/dbraw/zinc/47/93/94/632479394.db2.gz BGVWPNNHBJEUNH-UHFFFAOYSA-N 0 0 296.729 2.878 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[nH]n1 ZINC000816553306 632482965 /nfs/dbraw/zinc/48/29/65/632482965.db2.gz PTWPSRPBLRRLMJ-UHFFFAOYSA-N 0 0 269.707 2.506 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1conc1C ZINC000816565398 632485504 /nfs/dbraw/zinc/48/55/04/632485504.db2.gz NXFLHMJDURFOPG-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(C)c2Cl)cc1F ZINC000816566204 632486077 /nfs/dbraw/zinc/48/60/77/632486077.db2.gz OCMUEFVJORARGL-UHFFFAOYSA-N 0 0 283.734 2.858 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571418 632487856 /nfs/dbraw/zinc/48/78/56/632487856.db2.gz CYFWUUIFKBQGMM-NXEZZACHSA-N 0 0 286.778 2.709 20 10 CFCDRN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586434 632490427 /nfs/dbraw/zinc/49/04/27/632490427.db2.gz HVKVTNBVUKEIHW-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CC(C)[C@H](CO)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816610159 632494742 /nfs/dbraw/zinc/49/47/42/632494742.db2.gz ZXDXFYXQEIMJGV-JTQLQIEISA-N 0 0 275.751 2.539 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000816630367 632497031 /nfs/dbraw/zinc/49/70/31/632497031.db2.gz BMZPPEXSEPDIQY-ZDUSSCGKSA-N 0 0 281.783 2.925 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)[N@H+]1C ZINC000816653048 632505180 /nfs/dbraw/zinc/50/51/80/632505180.db2.gz DCXYYTISNQKONY-AOOOYVTPSA-N 0 0 286.778 2.709 20 10 CFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000816650826 632505290 /nfs/dbraw/zinc/50/52/90/632505290.db2.gz FBZLIKUZNMMWPT-GFCCVEGCSA-N 0 0 273.735 2.699 20 10 CFCDRN CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816660944 632507808 /nfs/dbraw/zinc/50/78/08/632507808.db2.gz VSXSIZPKJIYCNL-LLVKDONJSA-N 0 0 286.778 2.711 20 10 CFCDRN CSCC1(CC(=O)N(C)Cc2ccccc2O)CC1 ZINC000845791636 632565643 /nfs/dbraw/zinc/56/56/43/632565643.db2.gz LEACSWQMIMZWGI-UHFFFAOYSA-N 0 0 279.405 2.884 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845930161 632599366 /nfs/dbraw/zinc/59/93/66/632599366.db2.gz IVULVDKYJFGEBX-LEWSCRJBSA-N 0 0 289.375 2.581 20 10 CFCDRN OCCOCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817380995 632617946 /nfs/dbraw/zinc/61/79/46/632617946.db2.gz BIJRPEVENKNXSZ-UHFFFAOYSA-N 0 0 299.798 2.718 20 10 CFCDRN C[C@H](CO)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000846058201 632626347 /nfs/dbraw/zinc/62/63/47/632626347.db2.gz NTFZCYMDRRNTRF-LLVKDONJSA-N 0 0 283.799 2.886 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(O)c1 ZINC000846061747 632627051 /nfs/dbraw/zinc/62/70/51/632627051.db2.gz SFNKPSHYUGMIHH-TYNCELHUSA-N 0 0 287.359 2.619 20 10 CFCDRN CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCC[N@@H+]1C ZINC000817417375 632627496 /nfs/dbraw/zinc/62/74/96/632627496.db2.gz KWRPXRPJGBDWQZ-JTQLQIEISA-N 0 0 286.778 2.711 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111915 632635316 /nfs/dbraw/zinc/63/53/16/632635316.db2.gz OJWPFUKCTKBVPP-DTORHVGOSA-N 0 0 259.683 2.743 20 10 CFCDRN COc1cccc([C@@H](C)Nc2ccc3c(c2)nnn3C)c1O ZINC000846173396 632654062 /nfs/dbraw/zinc/65/40/62/632654062.db2.gz PYSYBENMGCOSOH-SNVBAGLBSA-N 0 0 298.346 2.856 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000846208418 632660380 /nfs/dbraw/zinc/66/03/80/632660380.db2.gz JQUGFOFSKLGNCJ-BDAKNGLRSA-N 0 0 295.276 2.782 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(Cl)cc1[O-] ZINC000846214855 632663076 /nfs/dbraw/zinc/66/30/76/632663076.db2.gz WZNVDIXEZFFTKA-ABAIWWIYSA-N 0 0 299.798 2.628 20 10 CFCDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(F)cc1[O-] ZINC000817585521 632671290 /nfs/dbraw/zinc/67/12/90/632671290.db2.gz FWLUENUUDYJCTK-NSHDSACASA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H](COCC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000846299433 632686077 /nfs/dbraw/zinc/68/60/77/632686077.db2.gz ZCCQDWOXFQCIEA-CQSZACIVSA-N 0 0 298.386 2.705 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)Cc3ccn(C)n3)cc12 ZINC000817760470 632708331 /nfs/dbraw/zinc/70/83/31/632708331.db2.gz CDHQINOLFTVPPS-UHFFFAOYSA-N 0 0 297.358 2.677 20 10 CFCDRN O=C(COC1CCCC1)NCc1cc(Cl)ccc1O ZINC000846471910 632714758 /nfs/dbraw/zinc/71/47/58/632714758.db2.gz DHPULTKTRCLCOX-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1(F)CCCC1 ZINC000846472657 632715531 /nfs/dbraw/zinc/71/55/31/632715531.db2.gz DHOPYHFZURGXBC-UHFFFAOYSA-N 0 0 271.719 2.944 20 10 CFCDRN CC(C)OCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846474179 632715665 /nfs/dbraw/zinc/71/56/65/632715665.db2.gz RUNDYLDMZGRPLK-UHFFFAOYSA-N 0 0 285.771 2.867 20 10 CFCDRN CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473557 632715731 /nfs/dbraw/zinc/71/57/31/632715731.db2.gz UBKVQNXCFXLJCF-ZDUSSCGKSA-N 0 0 296.798 2.536 20 10 CFCDRN CC[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846474245 632716521 /nfs/dbraw/zinc/71/65/21/632716521.db2.gz SNBWNOQYXFQXPO-GWCFXTLKSA-N 0 0 297.782 2.867 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000817881438 632717124 /nfs/dbraw/zinc/71/71/24/632717124.db2.gz SJWABOVLZAWCPN-GXSJLCMTSA-N 0 0 283.755 2.731 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000846479452 632718331 /nfs/dbraw/zinc/71/83/31/632718331.db2.gz LFYLCPWLBZSTRH-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCNC1)c1cccc(Cl)c1[O-] ZINC000817940739 632744316 /nfs/dbraw/zinc/74/43/16/632744316.db2.gz KHOCFLAEJFIEOT-GXFFZTMASA-N 0 0 268.788 2.838 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955376 632755085 /nfs/dbraw/zinc/75/50/85/632755085.db2.gz XBOAGQHCJRKOJU-IAQYHMDHSA-N 0 0 274.339 2.882 20 10 CFCDRN C[C@@H]([NH2+][C@H](CN)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817959093 632756724 /nfs/dbraw/zinc/75/67/24/632756724.db2.gz BYNVXGNKZKGVEP-PRHODGIISA-N 0 0 288.313 2.799 20 10 CFCDRN C[C@H]([NH2+][C@@H](CN)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000817959095 632757142 /nfs/dbraw/zinc/75/71/42/632757142.db2.gz BYNVXGNKZKGVEP-UFBFGSQYSA-N 0 0 288.313 2.799 20 10 CFCDRN CCCC[C@@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817962783 632762061 /nfs/dbraw/zinc/76/20/61/632762061.db2.gz PKUYFMLUGABZRG-ONGXEEELSA-N 0 0 272.339 2.839 20 10 CFCDRN C[C@H](CN)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817966358 632765302 /nfs/dbraw/zinc/76/53/02/632765302.db2.gz MCJOHYATTXIPHM-RNFRBKRXSA-N 0 0 263.168 2.697 20 10 CFCDRN Cc1ccc(C(C)(C)NC(=O)C2=CC(=O)CS2)cn1 ZINC000846653792 632765412 /nfs/dbraw/zinc/76/54/12/632765412.db2.gz CABTXSSEIKFUPU-UHFFFAOYSA-N 0 0 276.361 2.822 20 10 CFCDRN Cc1cc(Cl)cc([C@@H](C)NCC(F)(F)CN)c1O ZINC000817967853 632766253 /nfs/dbraw/zinc/76/62/53/632766253.db2.gz MOVPFZRWUNRNIP-MRVPVSSYSA-N 0 0 278.730 2.599 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC2(CC2(F)F)CC1 ZINC000846658559 632766598 /nfs/dbraw/zinc/76/65/98/632766598.db2.gz KACWBCYBKMPXAY-UHFFFAOYSA-N 0 0 273.304 2.715 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CN)c1ccc(Cl)c(Cl)c1[O-] ZINC000817970127 632768905 /nfs/dbraw/zinc/76/89/05/632768905.db2.gz MCJOHYATTXIPHM-NKWVEPMBSA-N 0 0 263.168 2.697 20 10 CFCDRN C[C@H](N[C@@H](C)c1nccc(N)n1)c1ccc(N(C)C)cc1 ZINC000846863073 632824587 /nfs/dbraw/zinc/82/45/87/632824587.db2.gz YGKOKQVQQGOKLH-RYUDHWBXSA-N 0 0 285.395 2.537 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000818359417 632838155 /nfs/dbraw/zinc/83/81/55/632838155.db2.gz JVECHNJCRYNXLM-SYEHKZFSSA-N 0 0 275.348 2.628 20 10 CFCDRN Nc1ccc(CCNC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000818544682 632863578 /nfs/dbraw/zinc/86/35/78/632863578.db2.gz HBOLMRKJKCNOCG-UHFFFAOYSA-N 0 0 298.390 2.553 20 10 CFCDRN C[C@@H](CO)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992661 632873110 /nfs/dbraw/zinc/87/31/10/632873110.db2.gz LCNIMOGLOJMPGG-LLVKDONJSA-N 0 0 262.378 2.875 20 10 CFCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000819398907 633147473 /nfs/dbraw/zinc/14/74/73/633147473.db2.gz QMJYGEXECQVBGZ-CMPLNLGQSA-N 0 0 263.337 2.540 20 10 CFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000819396740 633147776 /nfs/dbraw/zinc/14/77/76/633147776.db2.gz AOXUIUFLCHVSSU-AAEUAGOBSA-N 0 0 277.364 2.583 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000819483826 633178751 /nfs/dbraw/zinc/17/87/51/633178751.db2.gz CHEPCHWWBJOWDS-SCRDCRAPSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1CO ZINC000857061558 635922253 /nfs/dbraw/zinc/92/22/53/635922253.db2.gz RYJJRPYCEYLHMU-MWLCHTKSSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000857079857 635926368 /nfs/dbraw/zinc/92/63/68/635926368.db2.gz AMAQNIHBDLOANH-DTWKUNHWSA-N 0 0 286.278 2.996 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1cccc(CC)c1O ZINC000848901853 633389543 /nfs/dbraw/zinc/38/95/43/633389543.db2.gz FEEDBNQHYNWUIZ-HNNXBMFYSA-N 0 0 291.391 2.776 20 10 CFCDRN CCOC(=O)[C@@H](C)N(Cc1cccc(CC)c1O)C1CC1 ZINC000848905500 633392548 /nfs/dbraw/zinc/39/25/48/633392548.db2.gz ITWCWOLQNPEBEB-GFCCVEGCSA-N 0 0 291.391 2.871 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2ccc(N(C)C)cc2C)n1 ZINC000848926347 633409780 /nfs/dbraw/zinc/40/97/80/633409780.db2.gz VKSGVNCBESLJRC-LBPRGKRZSA-N 0 0 288.395 2.945 20 10 CFCDRN CC(C)CCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048519 633480291 /nfs/dbraw/zinc/48/02/91/633480291.db2.gz IFVZQAJJVXKUSK-UHFFFAOYSA-N 0 0 269.776 2.706 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccnn2CC2CC2)SC1=S ZINC000849175746 633580197 /nfs/dbraw/zinc/58/01/97/633580197.db2.gz SCQUYHIYTXTCRU-YRNVUSSQSA-N 0 0 293.417 2.514 20 10 CFCDRN Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3C[C@H](C)CCN23)cc1Cl ZINC000849183457 633580366 /nfs/dbraw/zinc/58/03/66/633580366.db2.gz TVBGQPRACAOPQY-CWONEXCFSA-N 0 0 294.782 2.583 20 10 CFCDRN C[C@@H](NC(=S)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000849261088 633596652 /nfs/dbraw/zinc/59/66/52/633596652.db2.gz CMYMYNZSFROGHV-LLVKDONJSA-N 0 0 277.437 2.688 20 10 CFCDRN CCCC[C@@](C)(F)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000849845294 633741129 /nfs/dbraw/zinc/74/11/29/633741129.db2.gz CTGUBEBELRNZFQ-OAHLLOKOSA-N 0 0 298.310 2.742 20 10 CFCDRN C[C@@H](Sc1ncc(Cl)s1)c1nncn1C ZINC000850000253 633786587 /nfs/dbraw/zinc/78/65/87/633786587.db2.gz NZGUNNTXYGZRDH-RXMQYKEDSA-N 0 0 260.775 2.778 20 10 CFCDRN C[C@@H](Sc1ncc(Cl)s1)c1nnnn1C1CC1 ZINC000850000265 633786751 /nfs/dbraw/zinc/78/67/51/633786751.db2.gz OFTQNLHHLZJPPH-RXMQYKEDSA-N 0 0 287.801 2.971 20 10 CFCDRN Clc1cnc(SCCCN2CCOCC2)s1 ZINC000849998622 633786955 /nfs/dbraw/zinc/78/69/55/633786955.db2.gz HAKAEPCPXAQEKN-UHFFFAOYSA-N 0 0 278.830 2.611 20 10 CFCDRN CCN1C[C@@H](CSc2ncc(Cl)s2)OC1=O ZINC000850002162 633787671 /nfs/dbraw/zinc/78/76/71/633787671.db2.gz VFHCXLQKUBHKJU-LURJTMIESA-N 0 0 278.786 2.729 20 10 CFCDRN COc1cc(CNCc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000850170485 633868896 /nfs/dbraw/zinc/86/88/96/633868896.db2.gz LHCYDMGJEKPIBS-UHFFFAOYSA-N 0 0 290.363 2.976 20 10 CFCDRN CN(C)c1ccc(CNC(=S)NCc2ccccc2)cc1 ZINC000007371523 633946873 /nfs/dbraw/zinc/94/68/73/633946873.db2.gz OBVNJKVAOOBYGO-UHFFFAOYSA-N 0 0 299.443 2.917 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388084 633972605 /nfs/dbraw/zinc/97/26/05/633972605.db2.gz GYEZKGAOFCWDFT-RYUDHWBXSA-N 0 0 285.746 2.578 20 10 CFCDRN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(N(C)C)cc1 ZINC000850499194 634020353 /nfs/dbraw/zinc/02/03/53/634020353.db2.gz LBFKIYRIEGEWPT-TYNCELHUSA-N 0 0 285.395 2.701 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(F)cc1[O-] ZINC000850545272 634046089 /nfs/dbraw/zinc/04/60/89/634046089.db2.gz NZBDZWNSADTAHU-DOMZBBRYSA-N 0 0 281.371 2.981 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000850577996 634058268 /nfs/dbraw/zinc/05/82/68/634058268.db2.gz FFKBQIGJCNGOTJ-CIUDSAMLSA-N 0 0 275.270 2.585 20 10 CFCDRN CCCc1nnc(Sc2ncc(C(=O)OCC)s2)o1 ZINC000853449593 635003199 /nfs/dbraw/zinc/00/31/99/635003199.db2.gz SITJLEJGBAPLTA-UHFFFAOYSA-N 0 0 299.377 2.807 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3ccc(C)nn3)C2)cc1 ZINC000853699581 635079440 /nfs/dbraw/zinc/07/94/40/635079440.db2.gz ILUUDLKHICCAMX-AWEZNQCLSA-N 0 0 298.390 2.732 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCCCC2CCC2)c1 ZINC000853736615 635089018 /nfs/dbraw/zinc/08/90/18/635089018.db2.gz IAZKBBKJKCPUQE-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN C[C@@H](Cc1nc(Cc2ccc(N)cc2)no1)[C@@H]1CCCO1 ZINC000854133569 635221746 /nfs/dbraw/zinc/22/17/46/635221746.db2.gz GCMSBWKVPHUGCJ-FZMZJTMJSA-N 0 0 287.363 2.600 20 10 CFCDRN C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000854231107 635265259 /nfs/dbraw/zinc/26/52/59/635265259.db2.gz DUEOLSYEIBXTRW-SFYZADRCSA-N 0 0 277.195 2.958 20 10 CFCDRN CN(C)c1ccc(/C=C\C[NH2+]CC2(C(=O)[O-])CCC2)cc1 ZINC000854244951 635270651 /nfs/dbraw/zinc/27/06/51/635270651.db2.gz YMVFCAFYMPIVSL-HYXAFXHYSA-N 0 0 288.391 2.610 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC000854271367 635277312 /nfs/dbraw/zinc/27/73/12/635277312.db2.gz DVEIDHNKBHMMBR-AWEZNQCLSA-N 0 0 260.381 2.805 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855060800 635452853 /nfs/dbraw/zinc/45/28/53/635452853.db2.gz MCVSYGQCBIBTKE-KELULYIISA-N 0 0 273.332 2.512 20 10 CFCDRN O=C(Nc1cncc2c1CCCC2)c1cccc(O)c1O ZINC000855201353 635483215 /nfs/dbraw/zinc/48/32/15/635483215.db2.gz NPBHHFGBBKCLLI-UHFFFAOYSA-N 0 0 284.315 2.624 20 10 CFCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000113274663 635515130 /nfs/dbraw/zinc/51/51/30/635515130.db2.gz QXOYBFJNVDLCBV-UHFFFAOYSA-N 0 0 298.452 2.608 20 10 CFCDRN Cc1cc(C(=O)NC/C=C/CO)c(C)n1-c1ccccc1C ZINC000855400920 635533748 /nfs/dbraw/zinc/53/37/48/635533748.db2.gz GGXPQOKPIJXNTQ-VOTSOKGWSA-N 0 0 298.386 2.681 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](CCF)C1 ZINC000855828178 635662538 /nfs/dbraw/zinc/66/25/38/635662538.db2.gz IWOBBHDQQZWNKV-SECBINFHSA-N 0 0 257.330 2.666 20 10 CFCDRN Cc1ccc(CC2CN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000855865223 635676706 /nfs/dbraw/zinc/67/67/06/635676706.db2.gz ZWXLFSXFLQGJFT-UHFFFAOYSA-N 0 0 297.354 2.721 20 10 CFCDRN CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000856122114 635731517 /nfs/dbraw/zinc/73/15/17/635731517.db2.gz CLPZVVAMCJIBIN-YCOJEUHLSA-N 0 0 275.348 2.662 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2([C@H](C)O)CC2)cc1 ZINC000856131826 635734638 /nfs/dbraw/zinc/73/46/38/635734638.db2.gz UMVOTHBUBXQEQR-AWEZNQCLSA-N 0 0 298.386 2.737 20 10 CFCDRN COCC1(NC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000856454158 635812566 /nfs/dbraw/zinc/81/25/66/635812566.db2.gz CNIMJXQYPBDQMF-UHFFFAOYSA-N 0 0 269.366 2.533 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC(CC3CC3)C2)cc1 ZINC000856833298 635871660 /nfs/dbraw/zinc/87/16/60/635871660.db2.gz ZHCLJCJLIRLSMU-UHFFFAOYSA-N 0 0 287.407 2.694 20 10 CFCDRN O=C(/C=C/C1CCCCC1)NCCc1ccc(O)c(O)c1 ZINC000158041011 650221379 /nfs/dbraw/zinc/22/13/79/650221379.db2.gz CHXUSAUVQVDCAV-VQHVLOKHSA-N 0 0 289.375 2.893 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1ncccc1F ZINC000857548901 635983109 /nfs/dbraw/zinc/98/31/09/635983109.db2.gz ZTCLHRCDWADHAA-UHFFFAOYSA-N 0 0 280.686 2.510 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccccc1O ZINC000857547737 635983266 /nfs/dbraw/zinc/98/32/66/635983266.db2.gz RNFAVEKNPLWAFK-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(F)cn1 ZINC000857548379 635983725 /nfs/dbraw/zinc/98/37/25/635983725.db2.gz KYSDNGNQDOGUSD-UHFFFAOYSA-N 0 0 280.686 2.510 20 10 CFCDRN CCC[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858102807 636125852 /nfs/dbraw/zinc/12/58/52/636125852.db2.gz FKTKZBONTRNJFN-NSHDSACASA-N 0 0 250.342 2.688 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000858161214 636144386 /nfs/dbraw/zinc/14/43/86/636144386.db2.gz HKPHGNPWCORCCV-JTQLQIEISA-N 0 0 288.313 2.957 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccnn2)cc1 ZINC000858202199 636153950 /nfs/dbraw/zinc/15/39/50/636153950.db2.gz OUHVNLKGQKUNHH-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN Cc1c(Cl)c(CNCc2cc(C)ccc2O)nn1C ZINC000858239693 636160777 /nfs/dbraw/zinc/16/07/77/636160777.db2.gz SJFUQYZCHLVJFW-UHFFFAOYSA-N 0 0 279.771 2.686 20 10 CFCDRN COC(C)(C)C[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858252217 636165090 /nfs/dbraw/zinc/16/50/90/636165090.db2.gz YREMHJMXQQZJIY-GFCCVEGCSA-N 0 0 294.395 2.703 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC2(C)CCC2)c1 ZINC000858271304 636173568 /nfs/dbraw/zinc/17/35/68/636173568.db2.gz BVDYFTWLKQYNFQ-UHFFFAOYSA-N 0 0 262.353 2.690 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](C)C2)c1 ZINC000858416303 636228341 /nfs/dbraw/zinc/22/83/41/636228341.db2.gz YRYNHGVDMHAIAX-AAEUAGOBSA-N 0 0 276.380 2.936 20 10 CFCDRN O=C(Cc1ccccc1Cl)NCc1ccc(O)c(O)c1 ZINC000158899831 650240739 /nfs/dbraw/zinc/24/07/39/650240739.db2.gz CKNPWMJHCYVQPI-UHFFFAOYSA-N 0 0 291.734 2.610 20 10 CFCDRN Cc1ccoc1CNC(=O)NCc1cc(C)ccc1O ZINC000858483312 636266678 /nfs/dbraw/zinc/26/66/78/636266678.db2.gz HNGUSCRGJSYJRH-UHFFFAOYSA-N 0 0 274.320 2.601 20 10 CFCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)C(F)F ZINC000858497107 636272504 /nfs/dbraw/zinc/27/25/04/636272504.db2.gz CPGFHUOPVAEPTB-JTQLQIEISA-N 0 0 272.295 2.544 20 10 CFCDRN CC[C@@H](C)[C@@H](CNC(=O)NCc1cc(C)ccc1O)OC ZINC000858504295 636275007 /nfs/dbraw/zinc/27/50/07/636275007.db2.gz PALVCTMMXZBKCK-IUODEOHRSA-N 0 0 294.395 2.561 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC2(F)F)c1 ZINC000858516234 636280069 /nfs/dbraw/zinc/28/00/69/636280069.db2.gz ZFLSBNYDHOSKGF-LBPRGKRZSA-N 0 0 298.333 2.935 20 10 CFCDRN CC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000159002400 650244205 /nfs/dbraw/zinc/24/42/05/650244205.db2.gz RAAVVFQUQJAABC-AWEZNQCLSA-N 0 0 285.343 2.908 20 10 CFCDRN 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2.880 20 10 CFCDRN O=C(NCCC1CCCCC1)c1cccc(O)c1O ZINC000126274857 643088710 /nfs/dbraw/zinc/08/87/10/643088710.db2.gz GWNPLRZLGWUATB-UHFFFAOYSA-N 0 0 263.337 2.798 20 10 CFCDRN CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877067323 643131242 /nfs/dbraw/zinc/13/12/42/643131242.db2.gz HAJODZUWULZXIS-LLVKDONJSA-N 0 0 287.350 2.805 20 10 CFCDRN CO[C@H](C(=O)N(C)c1ccc(N)cc1)C1CCCCC1 ZINC000877074382 643136193 /nfs/dbraw/zinc/13/61/93/643136193.db2.gz IIUTZZDWIWFTAO-HNNXBMFYSA-N 0 0 276.380 2.827 20 10 CFCDRN CN(C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(N)cc1 ZINC000877074437 643136527 /nfs/dbraw/zinc/13/65/27/643136527.db2.gz KLIKYOMADZBQBU-GVDBMIGSSA-N 0 0 278.355 2.818 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)N(C)c1ccc(N)cc1 ZINC000877075280 643137045 /nfs/dbraw/zinc/13/70/45/643137045.db2.gz BZLYXTDHAKLYJY-UHFFFAOYSA-N 0 0 271.320 2.719 20 10 CFCDRN CC(C)COc1ncccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877075235 643137160 /nfs/dbraw/zinc/13/71/60/643137160.db2.gz AVPQPGNOVYGHTG-UHFFFAOYSA-N 0 0 299.374 2.975 20 10 CFCDRN CCCCn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C ZINC000877076813 643138637 /nfs/dbraw/zinc/13/86/37/643138637.db2.gz VQSYIKYKYVTODB-UHFFFAOYSA-N 0 0 286.379 2.850 20 10 CFCDRN C[C@@H]1CC[C@@H](CCC(=O)N(C)c2ccc(N)cc2)O1 ZINC000877077822 643139199 /nfs/dbraw/zinc/13/91/99/643139199.db2.gz VRONEKJKXJZUFI-RISCZKNCSA-N 0 0 262.353 2.579 20 10 CFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)[nH]c2c1C(=O)CCC2 ZINC000877080516 643140999 /nfs/dbraw/zinc/14/09/99/643140999.db2.gz KFSULSMQOKVXSJ-UHFFFAOYSA-N 0 0 297.358 2.701 20 10 CFCDRN Cc1ccncc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877116206 643159202 /nfs/dbraw/zinc/15/92/02/643159202.db2.gz RPIIJSZVPIFGBJ-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877131634 643169029 /nfs/dbraw/zinc/16/90/29/643169029.db2.gz GKPAIQCRVOGDBG-BXKDBHETSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@H](CCO)C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877138142 643172991 /nfs/dbraw/zinc/17/29/91/643172991.db2.gz QAKRBHXVLSEZHP-LLVKDONJSA-N 0 0 299.361 2.949 20 10 CFCDRN CCC[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877179507 643191539 /nfs/dbraw/zinc/19/15/39/643191539.db2.gz DBRARGOCGDZXEY-CYBMUJFWSA-N 0 0 297.395 2.964 20 10 CFCDRN CCc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000126447574 643226483 /nfs/dbraw/zinc/22/64/83/643226483.db2.gz DPAVVUJVDRYPKW-UHFFFAOYSA-N 0 0 271.316 2.590 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877506654 643317546 /nfs/dbraw/zinc/31/75/46/643317546.db2.gz BCILPBSHJHRFGC-CHWSQXEVSA-N 0 0 283.318 2.814 20 10 CFCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877529993 643332324 /nfs/dbraw/zinc/33/23/24/643332324.db2.gz BFHHLYRFWVFGGB-LLVKDONJSA-N 0 0 273.323 2.509 20 10 CFCDRN Cc1ccc(CNc2ccc(C3(O)COC3)cc2)c(O)c1 ZINC000877533410 643336349 /nfs/dbraw/zinc/33/63/49/643336349.db2.gz PQNUENRIRDKWME-UHFFFAOYSA-N 0 0 285.343 2.531 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc(F)c1F ZINC000877563044 643362419 /nfs/dbraw/zinc/36/24/19/643362419.db2.gz FOORXDOELXFDHO-IACUBPJLSA-N 0 0 297.345 2.796 20 10 CFCDRN Cc1cccc(O)c1CNCc1nnc(C2CC2)s1 ZINC000877591214 643385201 /nfs/dbraw/zinc/38/52/01/643385201.db2.gz BLZXGZYEZVYYRX-UHFFFAOYSA-N 0 0 275.377 2.719 20 10 CFCDRN Cc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc(C)n1 ZINC000877594967 643388427 /nfs/dbraw/zinc/38/84/27/643388427.db2.gz NWVHPEZNFRZNTE-UHFFFAOYSA-N 0 0 278.302 2.972 20 10 CFCDRN [O-]c1c(C[N@H+]2CCC[C@H](CCO)CC2)ccc(F)c1F ZINC000877596796 643389461 /nfs/dbraw/zinc/38/94/61/643389461.db2.gz TTZZSVMJZIDUOM-NSHDSACASA-N 0 0 285.334 2.655 20 10 CFCDRN CCCC[C@](C)(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877605332 643393242 /nfs/dbraw/zinc/39/32/42/643393242.db2.gz ASVAVGGLKCGXFO-CQSZACIVSA-N 0 0 273.323 2.701 20 10 CFCDRN COc1ccc(N(C)Cc2cnc3c(cnn3C)c2)cc1 ZINC000877609477 643396266 /nfs/dbraw/zinc/39/62/66/643396266.db2.gz LCOAUBFVGLZAJQ-UHFFFAOYSA-N 0 0 282.347 2.613 20 10 CFCDRN CC(C)n1ncnc1CNCc1cc(Cl)ccc1O ZINC000877612100 643399626 /nfs/dbraw/zinc/39/96/26/643399626.db2.gz CPAYKGTXPAHZKA-UHFFFAOYSA-N 0 0 280.759 2.508 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)ccc(F)c1F ZINC000877619239 643405149 /nfs/dbraw/zinc/40/51/49/643405149.db2.gz SWEMNCPLJFZOFZ-KBPBESRZSA-N 0 0 296.361 2.777 20 10 CFCDRN C[C@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877641807 643425835 /nfs/dbraw/zinc/42/58/35/643425835.db2.gz AZSGPRDIHCGAAA-ZUZCIYMTSA-N 0 0 293.313 2.882 20 10 CFCDRN COc1cc(NCc2ccc(C)cc2O)cnc1OC ZINC000877653118 643433141 /nfs/dbraw/zinc/43/31/41/643433141.db2.gz YXCAJKKRAUJKMX-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877681875 643450921 /nfs/dbraw/zinc/45/09/21/643450921.db2.gz KUYIFDQSNCWKOM-SXAYMSPUSA-N 0 0 297.757 2.698 20 10 CFCDRN CCN(C)c1ccc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877702908 643467335 /nfs/dbraw/zinc/46/73/35/643467335.db2.gz JKQFOVQIUHUQMZ-UHFFFAOYSA-N 0 0 283.375 2.759 20 10 CFCDRN CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000877707198 643474596 /nfs/dbraw/zinc/47/45/96/643474596.db2.gz ZPTDPKCGJDQQOI-CYBMUJFWSA-N 0 0 298.789 2.711 20 10 CFCDRN CCOc1ccc([C@@H]2Nc3ccc(C)cc3C(=O)N2)c(O)c1 ZINC000877860863 643609532 /nfs/dbraw/zinc/60/95/32/643609532.db2.gz BSSBLEXSLSULPA-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN COc1ccc(O)c([C@H]2Nc3ccc(C)cc3C(=O)N2)c1 ZINC000877861393 643610145 /nfs/dbraw/zinc/61/01/45/643610145.db2.gz IRDQYHHKXRUOTQ-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN CCOc1ccc(O)c([C@@H]2Nc3ccc(C)cc3C(=O)N2)c1 ZINC000877864837 643612084 /nfs/dbraw/zinc/61/20/84/643612084.db2.gz TZGJDCBWSVPNKD-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN Cc1ccc2c(c1)N[C@@H](c1cccc(F)c1O)NC2=O ZINC000877865345 643613112 /nfs/dbraw/zinc/61/31/12/643613112.db2.gz YNDVPDBHRJTDAW-CQSZACIVSA-N 0 0 272.279 2.694 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)cc1F ZINC000878185655 643784105 /nfs/dbraw/zinc/78/41/05/643784105.db2.gz BYJKPHULDUQALG-MNOVXSKESA-N 0 0 253.317 2.696 20 10 CFCDRN CCN(CC(=O)Nc1ccccn1)c1ccc(OC)cc1 ZINC000878218910 643797448 /nfs/dbraw/zinc/79/74/48/643797448.db2.gz CLDSUMMOBKABCD-UHFFFAOYSA-N 0 0 285.347 2.555 20 10 CFCDRN C[C@H](NC(=O)Nc1ccc(C2CC2)nn1)c1ccccc1O ZINC000878948136 644084355 /nfs/dbraw/zinc/08/43/55/644084355.db2.gz BRLZYZQIGHBOMC-JTQLQIEISA-N 0 0 298.346 2.942 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1nc(C)ccc1O ZINC000127695726 644245309 /nfs/dbraw/zinc/24/53/09/644245309.db2.gz AXCXIVWOCJQHMW-UHFFFAOYSA-N 0 0 270.332 2.667 20 10 CFCDRN C[C@@H](NCc1nnsc1Cl)c1ccccc1O ZINC000879649662 644362606 /nfs/dbraw/zinc/36/26/06/644362606.db2.gz SDFOZEQKOCBCAU-SSDOTTSWSA-N 0 0 269.757 2.748 20 10 CFCDRN CC(C)c1nc(CN[C@H](C)c2ccccc2O)no1 ZINC000879649659 644362978 /nfs/dbraw/zinc/36/29/78/644362978.db2.gz RXTACRINRVCVNI-SNVBAGLBSA-N 0 0 261.325 2.749 20 10 CFCDRN COC(=O)c1ccoc1CN[C@@H](C)c1ccccc1O ZINC000879650199 644364668 /nfs/dbraw/zinc/36/46/68/644364668.db2.gz OMPUGOJDJAWLHO-JTQLQIEISA-N 0 0 275.304 2.623 20 10 CFCDRN CCC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)OCC ZINC000879650619 644364978 /nfs/dbraw/zinc/36/49/78/644364978.db2.gz JYECKJBTHOUCDR-WCQYABFASA-N 0 0 265.353 2.775 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000879992218 644485028 /nfs/dbraw/zinc/48/50/28/644485028.db2.gz PBEQTVKAUUZPSK-FLIBITNWSA-N 0 0 295.386 2.819 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC[C@H]1C ZINC000248612952 650939983 /nfs/dbraw/zinc/93/99/83/650939983.db2.gz YBCSAZARJXBSDE-YRGRVCCFSA-N 0 0 291.391 2.971 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ncsc2C2CC2)c1 ZINC000880837433 644846916 /nfs/dbraw/zinc/84/69/16/644846916.db2.gz MSNCBLNZKARZGU-UHFFFAOYSA-N 0 0 288.372 2.965 20 10 CFCDRN Cc1cc(Cn2cc(C(C)(C)C)nn2)ccc1N(C)C ZINC000881378528 644963785 /nfs/dbraw/zinc/96/37/85/644963785.db2.gz PLMGZPMVGRFKMV-UHFFFAOYSA-N 0 0 272.396 2.998 20 10 CFCDRN C[C@H](NC(=O)c1cnc(C2CC2)o1)c1ccccc1O ZINC000881440719 644975571 /nfs/dbraw/zinc/97/55/71/644975571.db2.gz MTISFXNFBNJIHM-VIFPVBQESA-N 0 0 272.304 2.749 20 10 CFCDRN Cc1ncnc(NCc2ccc(N(C)C)cc2)c1C ZINC000881774568 645124946 /nfs/dbraw/zinc/12/49/46/645124946.db2.gz WRKBTONSCDQNIE-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN Cc1cncnc1NCc1ccc(N2CCCC2)cc1 ZINC000881804664 645131857 /nfs/dbraw/zinc/13/18/57/645131857.db2.gz OBXIDOJMOWLGEW-UHFFFAOYSA-N 0 0 268.364 2.997 20 10 CFCDRN C[C@H](Nc1cc(CO)ccn1)c1ccc(N(C)C)cc1 ZINC000882203589 645242472 /nfs/dbraw/zinc/24/24/72/645242472.db2.gz SZCXUTFRQCDCEK-LBPRGKRZSA-N 0 0 271.364 2.813 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3ncncc3C)C2)cc1 ZINC000882480210 645335943 /nfs/dbraw/zinc/33/59/43/645335943.db2.gz PIEDIDLKYHCHJJ-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN Cc1nnc(CN(Cc2ccco2)Cc2ccccc2O)o1 ZINC000096970885 651009110 /nfs/dbraw/zinc/00/91/10/651009110.db2.gz CJFREVLHCIIZGI-UHFFFAOYSA-N 0 0 299.330 2.879 20 10 CFCDRN Cc1nc2nc(C)cc(N[C@H](C)c3ccccc3O)n2n1 ZINC000882703371 645420653 /nfs/dbraw/zinc/42/06/53/645420653.db2.gz AJWYXQHISRMPMF-SNVBAGLBSA-N 0 0 283.335 2.620 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000213234829 645480791 /nfs/dbraw/zinc/48/07/91/645480791.db2.gz XWOPRWSKCHQLLZ-HJWRWDBZSA-N 0 0 281.359 2.721 20 10 CFCDRN C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882936136 645517148 /nfs/dbraw/zinc/51/71/48/645517148.db2.gz MKWDXTNDOPBISI-ZETCQYMHSA-N 0 0 299.239 2.727 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000883076312 645594016 /nfs/dbraw/zinc/59/40/16/645594016.db2.gz ZPSZWWAUXPXOPQ-NILFDRSVSA-N 0 0 295.329 2.718 20 10 CFCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883078729 645594976 /nfs/dbraw/zinc/59/49/76/645594976.db2.gz BCTPKLKIQSDYQJ-RNCFNFMXSA-N 0 0 297.301 2.865 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](CF)C2)cc1 ZINC000883077713 645595192 /nfs/dbraw/zinc/59/51/92/645595192.db2.gz SYUBXEHZSMULNJ-CQSZACIVSA-N 0 0 293.386 2.644 20 10 CFCDRN CO[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000883099824 645604942 /nfs/dbraw/zinc/60/49/42/645604942.db2.gz HAIZSRGDANYEEB-JTQLQIEISA-N 0 0 299.239 2.727 20 10 CFCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883135992 645621371 /nfs/dbraw/zinc/62/13/71/645621371.db2.gz RMDQHWQCHNFUCM-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN CN(C)c1cc(F)c(CNc2cc(CO)ccn2)cc1F ZINC000883147772 645627150 /nfs/dbraw/zinc/62/71/50/645627150.db2.gz HVCQHADZPPPXKI-UHFFFAOYSA-N 0 0 293.317 2.530 20 10 CFCDRN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152703 645629078 /nfs/dbraw/zinc/62/90/78/645629078.db2.gz DYTBZPPBPPPLEU-BXKDBHETSA-N 0 0 273.323 2.557 20 10 CFCDRN CC[C@H](COCC1CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883166114 645634349 /nfs/dbraw/zinc/63/43/49/645634349.db2.gz SMQGHTIJOUHXPL-CYBMUJFWSA-N 0 0 285.334 2.965 20 10 CFCDRN C[C@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883182814 645645753 /nfs/dbraw/zinc/64/57/53/645645753.db2.gz LLMFWYAIWUBSEW-ZUZCIYMTSA-N 0 0 293.313 2.882 20 10 CFCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883193921 645655689 /nfs/dbraw/zinc/65/56/89/645655689.db2.gz ITBQEDORMVUHSJ-CHWSQXEVSA-N 0 0 285.334 2.700 20 10 CFCDRN C=C/C=C\CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000883240782 645689590 /nfs/dbraw/zinc/68/95/90/645689590.db2.gz DPKGSKRACJTKLQ-WAYWQWQTSA-N 0 0 291.370 2.823 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000883244954 645692912 /nfs/dbraw/zinc/69/29/12/645692912.db2.gz AEAIYUHIKCCUCQ-NWDGAFQWSA-N 0 0 275.348 2.796 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000883244956 645693589 /nfs/dbraw/zinc/69/35/89/645693589.db2.gz AEAIYUHIKCCUCQ-VXGBXAGGSA-N 0 0 275.348 2.796 20 10 CFCDRN O=C(NCc1ccccc1O)NCC1(CC2CC2)CC1 ZINC000883250171 645697593 /nfs/dbraw/zinc/69/75/93/645697593.db2.gz FVYJDOJLJYUVSC-UHFFFAOYSA-N 0 0 274.364 2.772 20 10 CFCDRN c1cnc(C2(NCc3ccc4c(c3)CCO4)CCC2)nc1 ZINC000883308811 645731315 /nfs/dbraw/zinc/73/13/15/645731315.db2.gz XWXQDWRKDONWHW-UHFFFAOYSA-N 0 0 281.359 2.581 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C=CCC1 ZINC000883444536 645834454 /nfs/dbraw/zinc/83/44/54/645834454.db2.gz ZJLJGIKKDZTWJZ-HNNXBMFYSA-N 0 0 297.402 2.828 20 10 CFCDRN CC1(C)CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132307300 645905618 /nfs/dbraw/zinc/90/56/18/645905618.db2.gz NCEREFNIFICSJG-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1ccccc1 ZINC000133749600 646220116 /nfs/dbraw/zinc/22/01/16/646220116.db2.gz GQBIXCQAQMHXAA-LSDHHAIUSA-N 0 0 267.328 2.812 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccc([N+](=O)[O-])c1 ZINC000133745039 646220585 /nfs/dbraw/zinc/22/05/85/646220585.db2.gz WPJZUXBQZLDUII-UHFFFAOYSA-N 0 0 287.275 2.622 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1cc(OC)ccc1O ZINC000134979015 646423190 /nfs/dbraw/zinc/42/31/90/646423190.db2.gz PTQXCPAHUULMAU-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COCCOC(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000885026308 646582115 /nfs/dbraw/zinc/58/21/15/646582115.db2.gz VJYLKSVKPZKEJD-UHFFFAOYSA-N 0 0 293.363 2.920 20 10 CFCDRN O=C(N[C@H]1CCCc2cccnc21)C1=CC(=O)CS1 ZINC000885386227 646677054 /nfs/dbraw/zinc/67/70/54/646677054.db2.gz UQEXBXOZPZGAPO-NSHDSACASA-N 0 0 274.345 2.656 20 10 CFCDRN O=C(NCC[C@@H]1CCC2(CCC2)O1)C1=CC(=O)CS1 ZINC000886053955 646845171 /nfs/dbraw/zinc/84/51/71/646845171.db2.gz SNRXKAGCUZENQD-NSHDSACASA-N 0 0 281.377 2.675 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)c(OC)c1 ZINC000886084415 646859775 /nfs/dbraw/zinc/85/97/75/646859775.db2.gz XSEVRRSWDUWIKE-LRDDRELGSA-N 0 0 277.364 2.567 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ncco1 ZINC000886273789 646945913 /nfs/dbraw/zinc/94/59/13/646945913.db2.gz GQFWRIKMVASPNC-JTQLQIEISA-N 0 0 263.316 2.731 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491964 647018080 /nfs/dbraw/zinc/01/80/80/647018080.db2.gz XVLYAGFTHGSCSN-NWDGAFQWSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1c([O-])cccc1F ZINC000886498540 647020104 /nfs/dbraw/zinc/02/01/04/647020104.db2.gz FYWXKGYVWGWDSW-JOYOIKCWSA-N 0 0 265.284 2.509 20 10 CFCDRN CCN(CC)C(=O)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886504229 647021780 /nfs/dbraw/zinc/02/17/80/647021780.db2.gz XMQYFDWVYQMKMC-GFCCVEGCSA-N 0 0 296.386 2.831 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886511523 647024242 /nfs/dbraw/zinc/02/42/42/647024242.db2.gz WGMJUIKLFIDKKN-QWRGUYRKSA-N 0 0 255.333 2.589 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886519434 647026963 /nfs/dbraw/zinc/02/69/63/647026963.db2.gz VDRPAFFXIWHLLZ-QWRGUYRKSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886526422 647030249 /nfs/dbraw/zinc/03/02/49/647030249.db2.gz LYYSSOVHZVMPMQ-VIFPVBQESA-N 0 0 294.292 2.676 20 10 CFCDRN C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886528204 647030874 /nfs/dbraw/zinc/03/08/74/647030874.db2.gz INBXJFQCGSGORO-OCCSQVGLSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1c([O-])cccc1F ZINC000886528545 647031033 /nfs/dbraw/zinc/03/10/33/647031033.db2.gz NXPFEWAAVUHOFT-GHMZBOCLSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1c([O-])cccc1F ZINC000886530195 647031832 /nfs/dbraw/zinc/03/18/32/647031832.db2.gz GBTBKJUJNKCSIL-RNCFNFMXSA-N 0 0 281.352 2.977 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cnn(C)c1 ZINC000886532278 647032758 /nfs/dbraw/zinc/03/27/58/647032758.db2.gz GTXQPCHDLWVCRC-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@H]([NH2+]CCNc1ccccn1)c1c([O-])cccc1F ZINC000886532721 647033371 /nfs/dbraw/zinc/03/33/71/647033371.db2.gz NOOAVFUFDXPZED-LLVKDONJSA-N 0 0 275.327 2.689 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1c([O-])cccc1F ZINC000886534971 647034177 /nfs/dbraw/zinc/03/41/77/647034177.db2.gz SBOAADUHUGXHSQ-NEPJUHHUSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1c([O-])cccc1F ZINC000886535135 647035029 /nfs/dbraw/zinc/03/50/29/647035029.db2.gz VJQHELTZRWBJNX-NWDGAFQWSA-N 0 0 266.360 2.524 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1c([O-])cccc1F ZINC000886538276 647035559 /nfs/dbraw/zinc/03/55/59/647035559.db2.gz FOIIXYNUPJLODT-COPLHBTASA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1c([O-])cccc1F ZINC000886538381 647036634 /nfs/dbraw/zinc/03/66/34/647036634.db2.gz HDQYFPAAGOWLLL-SRVKXCTJSA-N 0 0 278.371 2.807 20 10 CFCDRN C[C@H]([NH2+]CCc1ccncc1)c1c([O-])cccc1F ZINC000886540980 647037692 /nfs/dbraw/zinc/03/76/92/647037692.db2.gz OAARYVNBEKVISA-NSHDSACASA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886561926 647048207 /nfs/dbraw/zinc/04/82/07/647048207.db2.gz MPXIITVEWLUPOX-NWDGAFQWSA-N 0 0 295.354 2.868 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1c([O-])cccc1F ZINC000886603492 647063099 /nfs/dbraw/zinc/06/30/99/647063099.db2.gz PDVPPQGWZIUSJR-NXEZZACHSA-N 0 0 255.358 2.935 20 10 CFCDRN C[C@H]([NH2+]CCCOC(F)F)c1c([O-])cccc1F ZINC000886607767 647065228 /nfs/dbraw/zinc/06/52/28/647065228.db2.gz YMNYSWGSYAXJTJ-QMMMGPOBSA-N 0 0 263.259 2.811 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2c(O)cccc2F)s1 ZINC000886612633 647067572 /nfs/dbraw/zinc/06/75/72/647067572.db2.gz QFJJVEBEEDPCLC-MRVPVSSYSA-N 0 0 281.356 2.796 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCOCC1 ZINC000886614323 647068140 /nfs/dbraw/zinc/06/81/40/647068140.db2.gz TWLFKEQTMOBVPH-GFCCVEGCSA-N 0 0 297.370 2.625 20 10 CFCDRN CCn1ccnc1CN[C@H](C)c1c(O)cccc1F ZINC000886617220 647070191 /nfs/dbraw/zinc/07/01/91/647070191.db2.gz GZGWMPFYCGQBIE-SNVBAGLBSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@@H]([NH2+]CC1(CF)CCOCC1)c1c([O-])cccc1F ZINC000886618520 647070464 /nfs/dbraw/zinc/07/04/64/647070464.db2.gz CUHSVBZSEQBQKW-LLVKDONJSA-N 0 0 285.334 2.948 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886618508 647070661 /nfs/dbraw/zinc/07/06/61/647070661.db2.gz CLRYVWTXKQODEQ-IRUJWGPZSA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886617492 647070864 /nfs/dbraw/zinc/07/08/64/647070864.db2.gz POTYDFKRZRNEKK-NXEZZACHSA-N 0 0 255.333 2.731 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886631027 647077501 /nfs/dbraw/zinc/07/75/01/647077501.db2.gz AMCRTQYKYGLRNL-GMXVVIOVSA-N 0 0 269.360 2.979 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886636054 647080498 /nfs/dbraw/zinc/08/04/98/647080498.db2.gz FIPMMEXYNFILFJ-GMTAPVOTSA-N 0 0 253.317 2.749 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886636250 647080505 /nfs/dbraw/zinc/08/05/05/647080505.db2.gz JFLONOVCNFQHPG-FZMZJTMJSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1c([O-])cccc1F ZINC000886638634 647082483 /nfs/dbraw/zinc/08/24/83/647082483.db2.gz YVBRAHHAJWDGQY-WDEREUQCSA-N 0 0 265.328 2.894 20 10 CFCDRN CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886643104 647084510 /nfs/dbraw/zinc/08/45/10/647084510.db2.gz LEYGICNWTOTSDJ-CMPLNLGQSA-N 0 0 293.338 2.834 20 10 CFCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886643106 647085068 /nfs/dbraw/zinc/08/50/68/647085068.db2.gz LEYGICNWTOTSDJ-PWSUYJOCSA-N 0 0 293.338 2.834 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1c([O-])cccc1F ZINC000886650129 647088501 /nfs/dbraw/zinc/08/85/01/647088501.db2.gz PRNVDESFKPHXEW-PWSUYJOCSA-N 0 0 275.327 2.914 20 10 CFCDRN Cc1ccc(O)c([C@H](C)N[C@@H](CCO)C(F)(F)F)c1 ZINC000886801544 647144035 /nfs/dbraw/zinc/14/40/35/647144035.db2.gz OROVNNCIRLWDAE-CABZTGNLSA-N 0 0 277.286 2.665 20 10 CFCDRN Nc1ccc(NC(=O)N(CC(F)F)C2CCC2)cc1 ZINC000886960808 647183656 /nfs/dbraw/zinc/18/36/56/647183656.db2.gz DFQAYANOKDDZRF-UHFFFAOYSA-N 0 0 269.295 2.920 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000887838849 647419647 /nfs/dbraw/zinc/41/96/47/647419647.db2.gz CYXOIIFKVYTBMK-GASCZTMLSA-N 0 0 287.407 2.694 20 10 CFCDRN CC1(C)CCC[C@@H](CNC(=O)C2=CC(=O)CS2)O1 ZINC000890126222 647751788 /nfs/dbraw/zinc/75/17/88/647751788.db2.gz BTYAWROAROCTAW-JTQLQIEISA-N 0 0 269.366 2.531 20 10 CFCDRN CC(C)n1cc([C@H](C)NCc2ccc3c(c2)CCO3)nn1 ZINC000924902030 648068420 /nfs/dbraw/zinc/06/84/20/648068420.db2.gz VJMURSQNRQJLAU-LBPRGKRZSA-N 0 0 286.379 2.645 20 10 CFCDRN O=C(NC[C@]12C[C@H]1CCCC2)C1=CC(=O)CS1 ZINC000927428684 648776007 /nfs/dbraw/zinc/77/60/07/648776007.db2.gz IDNYHSRTABDVHV-RNCFNFMXSA-N 0 0 251.351 2.764 20 10 CFCDRN CC/C(C)=C(\C)C(=O)NCc1c(O)cccc1F ZINC000928709004 648942494 /nfs/dbraw/zinc/94/24/94/648942494.db2.gz VFWCZROSIJIGEB-MDZDMXLPSA-N 0 0 251.301 2.894 20 10 CFCDRN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1c(O)cccc1F ZINC000928705592 648944846 /nfs/dbraw/zinc/94/48/46/648944846.db2.gz KDPMTWDSCUPYRZ-GARJFASQSA-N 0 0 263.312 2.584 20 10 CFCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1c(O)cccc1F ZINC000928706007 648944923 /nfs/dbraw/zinc/94/49/23/648944923.db2.gz NKQJOOXLGMGUSK-MEBBXXQBSA-N 0 0 265.328 2.974 20 10 CFCDRN CC(=O)CC(C)(C)CC(=O)NCc1c(O)cccc1F ZINC000928707469 648945400 /nfs/dbraw/zinc/94/54/00/648945400.db2.gz FDARTYROIXIVFU-UHFFFAOYSA-N 0 0 281.327 2.543 20 10 CFCDRN CCO[C@H](C(=O)NCc1c(O)cccc1F)C1CCCC1 ZINC000928709488 648945938 /nfs/dbraw/zinc/94/59/38/648945938.db2.gz ISNJQIAYSAZAJT-HNNXBMFYSA-N 0 0 295.354 2.743 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1 ZINC000929402805 649045255 /nfs/dbraw/zinc/04/52/55/649045255.db2.gz DTIKQLZMKPIMRN-CYBMUJFWSA-N 0 0 298.386 2.878 20 10 CFCDRN COc1ccc(N(C)Cc2noc3c2COCC3)cc1F ZINC000929823470 649131239 /nfs/dbraw/zinc/13/12/39/649131239.db2.gz ADLOGMJRHTXGAF-UHFFFAOYSA-N 0 0 292.310 2.531 20 10 CFCDRN CCN(C(=O)/C=C/c1cn(C)cn1)c1ccc(C)cc1 ZINC000930066246 649177566 /nfs/dbraw/zinc/17/75/66/649177566.db2.gz CHJFNSLMMGQIIZ-JXMROGBWSA-N 0 0 269.348 2.795 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nncs1 ZINC000930142908 649192737 /nfs/dbraw/zinc/19/27/37/649192737.db2.gz NOEALICXXZWXHF-UHFFFAOYSA-N 0 0 275.377 2.890 20 10 CFCDRN COc1ccc(N(CCc2nnc(C)o2)CC2CC2)cc1 ZINC000930643171 649294918 /nfs/dbraw/zinc/29/49/18/649294918.db2.gz TXXVZHDCONZVJZ-UHFFFAOYSA-N 0 0 287.363 2.846 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1nncs1)CCC2 ZINC000930721311 649314675 /nfs/dbraw/zinc/31/46/75/649314675.db2.gz GVIMMKIYXNPUDG-UHFFFAOYSA-N 0 0 291.376 2.508 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc(C2CC2)cn1 ZINC000933975089 649738157 /nfs/dbraw/zinc/73/81/57/649738157.db2.gz YREKRIPJAJCTAB-UHFFFAOYSA-N 0 0 283.331 2.986 20 10 CFCDRN Cc1ccnc(F)c1-c1nc(C)nc2c1ccn2C ZINC001243551752 782274876 /nfs/dbraw/zinc/27/48/76/782274876.db2.gz NYLDVMOOQTXYMO-UHFFFAOYSA-N 0 0 256.284 2.786 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@H]1O ZINC001237809018 779719259 /nfs/dbraw/zinc/71/92/59/779719259.db2.gz YNPCWTFKIXWGBK-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN CCOc1cccc(CNC2(C(F)F)CC2)c1O ZINC000700106836 780659066 /nfs/dbraw/zinc/65/90/66/780659066.db2.gz BTOMXANJOQCTDV-UHFFFAOYSA-N 0 0 257.280 2.678 20 10 CFCDRN C[C@]1(F)CCN(Cc2cc(F)ccc2O)C[C@H]1F ZINC001140057831 770114895 /nfs/dbraw/zinc/11/48/95/770114895.db2.gz PJXATCQLWDUSDB-OLZOCXBDSA-N 0 0 259.271 2.803 20 10 CFCDRN COc1cc(Nc2ccc3c(c2)OCCN3)ccc1O ZINC001209766530 770130854 /nfs/dbraw/zinc/13/08/54/770130854.db2.gz QLTMMAHNBLOLFM-UHFFFAOYSA-N 0 0 272.304 2.949 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)/C=C/c2cnccc2C)c1 ZINC001167293573 770226926 /nfs/dbraw/zinc/22/69/26/770226926.db2.gz JRPNEQBRHDQHIN-GQCTYLIASA-N 0 0 282.343 2.734 20 10 CFCDRN Nc1ccc(N(CCO)c2cccc3cc[nH]c32)cc1 ZINC001210212505 770238733 /nfs/dbraw/zinc/23/87/33/770238733.db2.gz CIJHZFFWEDFOOG-UHFFFAOYSA-N 0 0 267.332 2.881 20 10 CFCDRN CCc1ccccc1OCC(=O)Nc1ccc(N)cc1 ZINC000036669213 770274524 /nfs/dbraw/zinc/27/45/24/770274524.db2.gz FLTGELGMLPMERZ-UHFFFAOYSA-N 0 0 270.332 2.849 20 10 CFCDRN Cc1cccc(CCNC(=O)c2ccc(C)c(O)c2O)c1 ZINC000177677804 770332333 /nfs/dbraw/zinc/33/23/33/770332333.db2.gz BGQGHWJENFFRPF-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN CC(C)[C@H]1COCCN1Cc1ccc(Cl)cc1O ZINC001140464547 770679902 /nfs/dbraw/zinc/67/99/02/770679902.db2.gz UJJXPKUMLFGTDN-CYBMUJFWSA-N 0 0 269.772 2.902 20 10 CFCDRN CC[NH+](CC)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583679 770964671 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20 10 CFCDRN C[C@]1(F)CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142508805 778395082 /nfs/dbraw/zinc/39/50/82/778395082.db2.gz MAMWCAFAPZTUAG-ZDUSSCGKSA-N 0 0 259.271 2.994 20 10 CFCDRN [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001235166805 778401288 /nfs/dbraw/zinc/40/12/88/778401288.db2.gz VZUXSDOFIRUBLJ-TVQRCGJNSA-N 0 0 287.190 2.622 20 10 CFCDRN COCCOC1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678600 778533921 /nfs/dbraw/zinc/53/39/21/778533921.db2.gz CRJGPOFPJKRJNR-UHFFFAOYSA-N 0 0 293.407 2.537 20 10 CFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)C1CC1 ZINC001142680447 778673634 /nfs/dbraw/zinc/67/36/34/778673634.db2.gz DIFRGEYSOTVOGJ-UHFFFAOYSA-N 0 0 276.723 2.620 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cccnc2N2CCCC2)n1 ZINC001236125168 778704722 /nfs/dbraw/zinc/70/47/22/778704722.db2.gz USNLAPPNPVHVJO-UHFFFAOYSA-N 0 0 293.374 2.939 20 10 CFCDRN CCN(CC[NH2+]C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001236144753 778716068 /nfs/dbraw/zinc/71/60/68/778716068.db2.gz SLKXYEBLWIEREA-UHFFFAOYSA-N 0 0 277.195 2.740 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241385 778750186 /nfs/dbraw/zinc/75/01/86/778750186.db2.gz PAQDSMDLLIABRQ-ZDUSSCGKSA-N 0 0 298.789 2.901 20 10 CFCDRN CC(C)CN(Cc1c(F)ccc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236477695 778843998 /nfs/dbraw/zinc/84/39/98/778843998.db2.gz KKMIHBKZDWTODI-GFCCVEGCSA-N 0 0 298.377 2.880 20 10 CFCDRN O=c1cc(-c2cncc(O)c2)ccn1Cc1ccccc1F ZINC001236585659 778887056 /nfs/dbraw/zinc/88/70/56/778887056.db2.gz ZNRLGNSRBKZMHW-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1O ZINC001236794056 778938391 /nfs/dbraw/zinc/93/83/91/778938391.db2.gz ORBCUIZVDVBHNZ-UFBFGSQYSA-N 0 0 290.190 2.902 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CC(C2COC2)C1 ZINC001236792132 778939556 /nfs/dbraw/zinc/93/95/56/778939556.db2.gz CDJPZSKQLBHZOH-UHFFFAOYSA-N 0 0 288.174 2.777 20 10 CFCDRN OC[C@@]1(F)CCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793602 778939770 /nfs/dbraw/zinc/93/97/70/778939770.db2.gz MBBFIUOSLAGOOL-GFCCVEGCSA-N 0 0 294.153 2.605 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(Cl)c1 ZINC001236796067 778940328 /nfs/dbraw/zinc/94/03/28/778940328.db2.gz QRUQEMUQDALJNL-GMOODISLSA-N 0 0 285.746 2.844 20 10 CFCDRN CCc1ccc(CN2Cc3ccncc3C2)c(O)c1 ZINC001236795304 778941486 /nfs/dbraw/zinc/94/14/86/778941486.db2.gz TYWKLBWAYKYZHW-UHFFFAOYSA-N 0 0 254.333 2.865 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC001236796425 778941830 /nfs/dbraw/zinc/94/18/30/778941830.db2.gz OUTWNEVOKFFETJ-IUCAKERBSA-N 0 0 274.147 2.672 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](F)[C@H](F)C2)c(Cl)c1 ZINC001236799081 778942652 /nfs/dbraw/zinc/94/26/52/778942652.db2.gz RCBDCBSXCISSKD-GHMZBOCLSA-N 0 0 277.698 2.546 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1Cl ZINC001236801631 778944771 /nfs/dbraw/zinc/94/47/71/778944771.db2.gz LBMJHPDUUNGWIQ-AOOOYVTPSA-N 0 0 253.729 2.506 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1Cl ZINC001236801995 778945367 /nfs/dbraw/zinc/94/53/67/778945367.db2.gz MIICDLCVQCKSIS-PWSUYJOCSA-N 0 0 299.798 2.647 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCn2nccc2C1 ZINC001236802155 778945785 /nfs/dbraw/zinc/94/57/85/778945785.db2.gz GLIRZUBMRSSFDT-UHFFFAOYSA-N 0 0 298.173 2.911 20 10 CFCDRN COc1ccc(C[N@H+](C)CCSC)c([O-])c1Cl ZINC001236806589 778947285 /nfs/dbraw/zinc/94/72/85/778947285.db2.gz CZJOHXMNWJLOGV-UHFFFAOYSA-N 0 0 275.801 2.849 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001236807670 778947450 /nfs/dbraw/zinc/94/74/50/778947450.db2.gz IPQXTZUQDDZHFT-OAHLLOKOSA-N 0 0 267.344 2.891 20 10 CFCDRN COc1ccc(CN2CCC[C@H]2C[NH+](C)C)c([O-])c1Cl ZINC001236811069 778948632 /nfs/dbraw/zinc/94/86/32/778948632.db2.gz GGWBMAXQZUGYDF-LBPRGKRZSA-N 0 0 298.814 2.580 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC001236809057 778948851 /nfs/dbraw/zinc/94/88/51/778948851.db2.gz SMFWYHQRKDIMKR-MEBBXXQBSA-N 0 0 297.782 2.665 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001236827925 778956358 /nfs/dbraw/zinc/95/63/58/778956358.db2.gz WVOVZQADPFHFDL-PXAZEXFGSA-N 0 0 271.360 2.748 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC001237048412 778999001 /nfs/dbraw/zinc/99/90/01/778999001.db2.gz FRYHYWGILRNHBK-UHFFFAOYSA-N 0 0 291.391 2.855 20 10 CFCDRN CCOC(=O)CN(CC)Cc1ccc(C(C)C)cc1O ZINC001237055417 779002385 /nfs/dbraw/zinc/00/23/85/779002385.db2.gz OGRBTVCCEYSKMY-UHFFFAOYSA-N 0 0 279.380 2.901 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCCOCC1 ZINC001237077127 779005153 /nfs/dbraw/zinc/00/51/53/779005153.db2.gz DBGKCILUYRZGCU-UHFFFAOYSA-N 0 0 276.163 2.921 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(O)CC1 ZINC001237078379 779007238 /nfs/dbraw/zinc/00/72/38/779007238.db2.gz QMXYURCYFIHUKO-UHFFFAOYSA-N 0 0 276.163 2.656 20 10 CFCDRN O=C1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237080392 779007317 /nfs/dbraw/zinc/00/73/17/779007317.db2.gz BNPCFHAZLQVSLY-UHFFFAOYSA-N 0 0 274.147 2.864 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H](CO)C1 ZINC001237078103 779007590 /nfs/dbraw/zinc/00/75/90/779007590.db2.gz NSUGBNGRSJUFIK-VIFPVBQESA-N 0 0 290.190 2.903 20 10 CFCDRN CC1(CO)CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078802 779007893 /nfs/dbraw/zinc/00/78/93/779007893.db2.gz XCUJSWFFTFQGHN-UHFFFAOYSA-N 0 0 276.163 2.513 20 10 CFCDRN O=C1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1F ZINC001237085236 779009023 /nfs/dbraw/zinc/00/90/23/779009023.db2.gz VUCIHJKKVWFYEF-VIFPVBQESA-N 0 0 292.137 2.812 20 10 CFCDRN O=C1CCN(Cc2c(O)ccc(F)c2Cl)CC1(F)F ZINC001237125464 779020253 /nfs/dbraw/zinc/02/02/53/779020253.db2.gz CILIFYJREAHFJY-UHFFFAOYSA-N 0 0 293.672 2.595 20 10 CFCDRN C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233416207 779040398 /nfs/dbraw/zinc/04/03/98/779040398.db2.gz ZSPYDBNUOARCEB-SECBINFHSA-N 0 0 287.281 2.822 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)CC2)cc1Br ZINC001237677904 779159438 /nfs/dbraw/zinc/15/94/38/779159438.db2.gz RUBMHQHWKUHMBO-UHFFFAOYSA-N 0 0 298.180 2.628 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001237680665 779159548 /nfs/dbraw/zinc/15/95/48/779159548.db2.gz GNAJVNJGPKWFMF-ZANVPECISA-N 0 0 269.772 2.557 20 10 CFCDRN Cc1cc(Cl)cc(CN2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001237681053 779160167 /nfs/dbraw/zinc/16/01/67/779160167.db2.gz KOMRUVIPQXFAMG-ZWNOBZJWSA-N 0 0 287.762 2.506 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC(=O)C(F)(F)C2)c1O ZINC001237687277 779161562 /nfs/dbraw/zinc/16/15/62/779161562.db2.gz WTCRMWJANHSYNN-UHFFFAOYSA-N 0 0 289.709 2.764 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237800693 779182416 /nfs/dbraw/zinc/18/24/16/779182416.db2.gz AOXKLWZZPQBIGK-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809203 779185328 /nfs/dbraw/zinc/18/53/28/779185328.db2.gz ZZKOMHMKXUBYKG-ZJUUUORDSA-N 0 0 287.762 2.778 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001237933619 779210044 /nfs/dbraw/zinc/21/00/44/779210044.db2.gz FBGSBXBYYVTNJL-AWEZNQCLSA-N 0 0 285.746 2.797 20 10 CFCDRN C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939784 779210795 /nfs/dbraw/zinc/21/07/95/779210795.db2.gz FXBFODCIDKCPJD-LBPRGKRZSA-N 0 0 298.789 2.853 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOCC12CC2 ZINC001237940434 779211035 /nfs/dbraw/zinc/21/10/35/779211035.db2.gz KVXVKFGPZVVNSJ-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCCCC12COC2 ZINC001237938135 779210888 /nfs/dbraw/zinc/21/08/88/779210888.db2.gz YOTZOHCPZMVSKB-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN O=C1CCN(Cc2cc(F)c(Cl)cc2O)CC1(F)F ZINC001237950441 779214371 /nfs/dbraw/zinc/21/43/71/779214371.db2.gz UBTXMVNYNXCERK-UHFFFAOYSA-N 0 0 293.672 2.595 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOCC12CCC2 ZINC001237949442 779214767 /nfs/dbraw/zinc/21/47/67/779214767.db2.gz LSWUOICXIBGKEV-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCCC[C@@H]1CO ZINC001237946403 779214990 /nfs/dbraw/zinc/21/49/90/779214990.db2.gz LDKLRXDVCJCZHT-SNVBAGLBSA-N 0 0 273.735 2.532 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CC(F)(F)C1 ZINC001237948194 779215118 /nfs/dbraw/zinc/21/51/18/779215118.db2.gz ZCYFWHXXKFWQGA-UHFFFAOYSA-N 0 0 251.635 2.636 20 10 CFCDRN CC[N@H+](CCn1cccn1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237949921 779215207 /nfs/dbraw/zinc/21/52/07/779215207.db2.gz OVHZDXWJZARHGX-UHFFFAOYSA-N 0 0 297.761 2.903 20 10 CFCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950718 779216698 /nfs/dbraw/zinc/21/66/98/779216698.db2.gz ZKRAJXFHPOODTK-WPRPVWTQSA-N 0 0 273.735 2.530 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C\c2cccnc2C)ccn1 ZINC001127500119 779499508 /nfs/dbraw/zinc/49/95/08/779499508.db2.gz LWMBQXNADAVYFO-SREVYHEPSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1cc(C)cc(CCC(=O)NCc2cccc(O)c2O)c1 ZINC001123977621 779520097 /nfs/dbraw/zinc/52/00/97/779520097.db2.gz KAFOTUWIGSXMHZ-UHFFFAOYSA-N 0 0 299.370 2.964 20 10 CFCDRN COc1ncc(-c2cnc3ccn(C)c3c2)cc1F ZINC001239518473 779601813 /nfs/dbraw/zinc/60/18/13/779601813.db2.gz PFMRZXSTAGJCIL-UHFFFAOYSA-N 0 0 257.268 2.783 20 10 CFCDRN COc1ccc(C[NH+]2CC3(C2)CCCOC3)c([O-])c1Cl ZINC001236800872 779639902 /nfs/dbraw/zinc/63/99/02/779639902.db2.gz ADEQXVGSFNAYEW-UHFFFAOYSA-N 0 0 297.782 2.667 20 10 CFCDRN C[C@H]1CC(=O)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237122453 779664810 /nfs/dbraw/zinc/66/48/10/779664810.db2.gz UYXCCOSPLNAVSD-QMMMGPOBSA-N 0 0 271.719 2.738 20 10 CFCDRN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(Cl)cc1O ZINC001237935829 779725055 /nfs/dbraw/zinc/72/50/55/779725055.db2.gz ZNGMYQCYIYSRHY-AOOOYVTPSA-N 0 0 283.730 2.881 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237950260 779726573 /nfs/dbraw/zinc/72/65/73/779726573.db2.gz RFPRKLSFWWXJBT-OTYXRUKQSA-N 0 0 285.746 2.796 20 10 CFCDRN CCc1nc(OC)ccc1-c1nc(C)nc2c1ccn2C ZINC001239766869 779758173 /nfs/dbraw/zinc/75/81/73/779758173.db2.gz AGUVNZZHZGSPOH-UHFFFAOYSA-N 0 0 282.347 2.910 20 10 CFCDRN CC(=O)Nc1ccccc1-c1nc(C)nc2c1ccn2C ZINC001239780525 779769631 /nfs/dbraw/zinc/76/96/31/779769631.db2.gz VDWRLDVYAIEHEQ-UHFFFAOYSA-N 0 0 280.331 2.902 20 10 CFCDRN CCCn1cc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001240133881 779958003 /nfs/dbraw/zinc/95/80/03/779958003.db2.gz VMIGBPPEARPEKK-UHFFFAOYSA-N 0 0 267.332 2.812 20 10 CFCDRN c1snnc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001212361905 779993227 /nfs/dbraw/zinc/99/32/27/779993227.db2.gz ILLQOUZTFTWRKS-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN Fc1cc(F)cc(-c2noc(-c3csnn3)n2)c1 ZINC001212362681 779994876 /nfs/dbraw/zinc/99/48/76/779994876.db2.gz WTTQUJNDXKFXOV-UHFFFAOYSA-N 0 0 266.232 2.533 20 10 CFCDRN c1snnc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001212364157 779998208 /nfs/dbraw/zinc/99/82/08/779998208.db2.gz HNDMZDVQPNSORU-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN FC(F)(F)c1cccc(-c2noc(-c3csnn3)n2)n1 ZINC001212364211 779998713 /nfs/dbraw/zinc/99/87/13/779998713.db2.gz JRZHHSHTSNCHTG-UHFFFAOYSA-N 0 0 299.237 2.669 20 10 CFCDRN Cc1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001240225804 780012900 /nfs/dbraw/zinc/01/29/00/780012900.db2.gz IWIICAWWVHSMSE-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cncc(F)c3)cc21 ZINC001240238203 780020138 /nfs/dbraw/zinc/02/01/38/780020138.db2.gz ZWTDQEPYSSSWHY-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cc1snnc1-c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001212403217 780090115 /nfs/dbraw/zinc/09/01/15/780090115.db2.gz PAALDDLMXRHYAP-UHFFFAOYSA-N 0 0 298.249 2.981 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001212404945 780094360 /nfs/dbraw/zinc/09/43/60/780094360.db2.gz CDQLSAYMIHITKG-UHFFFAOYSA-N 0 0 296.315 2.507 20 10 CFCDRN c1cn(Cc2ccccc2)c2ncnc(-c3cncnc3)c12 ZINC001240372989 780118509 /nfs/dbraw/zinc/11/85/09/780118509.db2.gz QIKIGYIUJFIBTM-UHFFFAOYSA-N 0 0 287.326 2.937 20 10 CFCDRN CC(=O)n1ncc2ccc(Nc3cccc(O)c3O)cc21 ZINC001212418379 780121699 /nfs/dbraw/zinc/12/16/99/780121699.db2.gz ABJRABLWCRAMJR-UHFFFAOYSA-N 0 0 283.287 2.851 20 10 CFCDRN Cn1ccc(-c2cnc(Cl)n2[C@H]2CCCCO2)cc1=O ZINC001240539231 780240220 /nfs/dbraw/zinc/24/02/20/780240220.db2.gz OBAUHHQYWHAWQJ-CYBMUJFWSA-N 0 0 293.754 2.601 20 10 CFCDRN CNC(=O)c1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240574786 780266210 /nfs/dbraw/zinc/26/62/10/780266210.db2.gz CSMZAULPUGIDHL-UHFFFAOYSA-N 0 0 265.316 2.600 20 10 CFCDRN COC(=O)[C@H]1CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104342 780386888 /nfs/dbraw/zinc/38/68/88/780386888.db2.gz SAYLRGMKDRVDJF-CQSZACIVSA-N 0 0 291.391 2.827 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001240759297 780421525 /nfs/dbraw/zinc/42/15/25/780421525.db2.gz MCNLQJYNNLCEJG-LBPRGKRZSA-N 0 0 297.358 2.957 20 10 CFCDRN CCO[C@H](C)n1cc(-c2ccnc3c2ccn3C)cn1 ZINC001240760730 780424079 /nfs/dbraw/zinc/42/40/79/780424079.db2.gz RZRHNYOHKYESDJ-LLVKDONJSA-N 0 0 270.336 2.992 20 10 CFCDRN CCCCCNC(=O)[C@@H](C)Sc1nccs1 ZINC000133241661 780440001 /nfs/dbraw/zinc/44/00/01/780440001.db2.gz AUHFNYSCWIAWFW-SECBINFHSA-N 0 0 258.412 2.930 20 10 CFCDRN COc1ccc2cccc(-c3ccn(C)c(=O)c3)c2n1 ZINC001240991561 780577758 /nfs/dbraw/zinc/57/77/58/780577758.db2.gz LUEXYNKVSWCKCX-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN Cc1c(-c2cccnc2)cncc1-c1ccn(C)c(=O)c1 ZINC001240998218 780581556 /nfs/dbraw/zinc/58/15/56/780581556.db2.gz OQRDHUAHZORAIM-UHFFFAOYSA-N 0 0 277.327 2.818 20 10 CFCDRN Nc1ccccc1-c1ccn(Cc2cccnc2)c(=O)c1 ZINC001241075794 780629237 /nfs/dbraw/zinc/62/92/37/780629237.db2.gz YDWYZZIWHRKJJH-UHFFFAOYSA-N 0 0 277.327 2.541 20 10 CFCDRN O=c1cc(-c2ccc[nH]c2=O)ccn1Cc1ccc(F)cc1 ZINC001241127598 780654790 /nfs/dbraw/zinc/65/47/90/780654790.db2.gz JKOVQADGZNBHMU-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN COCC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000700052652 780658223 /nfs/dbraw/zinc/65/82/23/780658223.db2.gz RCQWNTPHKFDHJP-UHFFFAOYSA-N 0 0 276.163 2.968 20 10 CFCDRN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000700766447 780723290 /nfs/dbraw/zinc/72/32/90/780723290.db2.gz XMDIDPZUJKUABH-LBPRGKRZSA-N 0 0 286.366 2.736 20 10 CFCDRN Cc1cc(N(C)C)ncc1-c1ccn(CC(C)C)c(=O)c1 ZINC001241250470 780734759 /nfs/dbraw/zinc/73/47/59/780734759.db2.gz KYVTYIZJBWOYNV-UHFFFAOYSA-N 0 0 285.391 2.941 20 10 CFCDRN O=C(COc1ccccc1Cl)NCc1ccccc1O ZINC000701169498 780771026 /nfs/dbraw/zinc/77/10/26/780771026.db2.gz QZRBGGIMXVGVHQ-UHFFFAOYSA-N 0 0 291.734 2.741 20 10 CFCDRN CC(=O)Nc1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241345901 780799578 /nfs/dbraw/zinc/79/95/78/780799578.db2.gz LMMQAWIZAHZZNT-UHFFFAOYSA-N 0 0 294.358 2.729 20 10 CFCDRN Nc1cnccc1C1=CCN(c2ccccc2)CC1 ZINC001241345489 780800254 /nfs/dbraw/zinc/80/02/54/780800254.db2.gz JUDSZRGZYGAVSN-UHFFFAOYSA-N 0 0 251.333 2.958 20 10 CFCDRN Cc1cc(C2=CCN(c3ccccc3)CC2)c(=O)n(C)c1 ZINC001241359742 780809972 /nfs/dbraw/zinc/80/99/72/780809972.db2.gz CFSFVNUPABPQQV-UHFFFAOYSA-N 0 0 280.371 2.987 20 10 CFCDRN CN(C)c1ccc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001241372698 780826647 /nfs/dbraw/zinc/82/66/47/780826647.db2.gz OWWVPOXTAFGUKW-UHFFFAOYSA-N 0 0 279.343 2.667 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cccc3cn(C)nc32)n1 ZINC001241463913 780916642 /nfs/dbraw/zinc/91/66/42/780916642.db2.gz CNFSVNNBOCOMLZ-UHFFFAOYSA-N 0 0 277.331 2.830 20 10 CFCDRN CN1CCC=C(c2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001241572111 780989071 /nfs/dbraw/zinc/98/90/71/780989071.db2.gz PVUOFKHNBYGRGA-UHFFFAOYSA-N 0 0 294.345 2.520 20 10 CFCDRN Cc1ncsc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703230808 780999621 /nfs/dbraw/zinc/99/96/21/780999621.db2.gz XHVIOGGQLGICPB-UHFFFAOYSA-N 0 0 270.304 2.725 20 10 CFCDRN C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232233 781000177 /nfs/dbraw/zinc/00/01/77/781000177.db2.gz CIFYOAFYLSNJIL-VIFPVBQESA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1cccnc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703349671 781008698 /nfs/dbraw/zinc/00/86/98/781008698.db2.gz ZCOGMUVNLGZFHK-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN C[C@H](Cc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703393691 781013765 /nfs/dbraw/zinc/01/37/65/781013765.db2.gz BBFPQJPOAIGXKQ-SECBINFHSA-N 0 0 267.275 2.984 20 10 CFCDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1[O-] ZINC000703548517 781028559 /nfs/dbraw/zinc/02/85/59/781028559.db2.gz LTFCBROPQGSTFR-VLRKGOCCSA-N 0 0 267.344 2.876 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnc(N)nc1C(F)(F)F ZINC001241649456 781046675 /nfs/dbraw/zinc/04/66/75/781046675.db2.gz LAZFRQGIJAGTKN-UHFFFAOYSA-N 0 0 293.252 2.631 20 10 CFCDRN CCn1ccc(-c2cnc(N)cc2C(F)(F)F)cc1=O ZINC001241683864 781071283 /nfs/dbraw/zinc/07/12/83/781071283.db2.gz CNABAXHDQHLQEW-UHFFFAOYSA-N 0 0 283.253 2.531 20 10 CFCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)C(F)(F)F ZINC000705485052 781141166 /nfs/dbraw/zinc/14/11/66/781141166.db2.gz VFLFPSYPMAXSNM-VIFPVBQESA-N 0 0 274.286 2.516 20 10 CFCDRN COCCC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137837924 781143238 /nfs/dbraw/zinc/14/32/38/781143238.db2.gz ZHMHDHPJIOITQZ-UHFFFAOYSA-N 0 0 267.344 2.780 20 10 CFCDRN COC(=O)c1cnc(-c2cccc3c2ccn3C)c(C)n1 ZINC001241820235 781144113 /nfs/dbraw/zinc/14/41/13/781144113.db2.gz UNGCHDQCXLPKCI-UHFFFAOYSA-N 0 0 281.315 2.730 20 10 CFCDRN Cn1ccc2c1cccc2-c1cc(F)cn2nc(N)nc12 ZINC001241822886 781144901 /nfs/dbraw/zinc/14/49/01/781144901.db2.gz RTVYEJINPGCKAE-UHFFFAOYSA-N 0 0 281.294 2.609 20 10 CFCDRN Nc1ccc(CC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000706234500 781168026 /nfs/dbraw/zinc/16/80/26/781168026.db2.gz LVQBYTVIRQNLGI-CYBMUJFWSA-N 0 0 258.365 2.508 20 10 CFCDRN Cc1nc2ccoc2c(NCc2ccc(N)cc2)n1 ZINC001162784912 781188550 /nfs/dbraw/zinc/18/85/50/781188550.db2.gz ZDMDPPRMDWGCMH-UHFFFAOYSA-N 0 0 254.293 2.726 20 10 CFCDRN COCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708157366 781266378 /nfs/dbraw/zinc/26/63/78/781266378.db2.gz MXCPKIBKUOAAPC-UHFFFAOYSA-N 0 0 294.576 2.544 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000708482000 781275475 /nfs/dbraw/zinc/27/54/75/781275475.db2.gz VIMZMCGFWLALEF-SNVBAGLBSA-N 0 0 291.388 2.609 20 10 CFCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494421 781290608 /nfs/dbraw/zinc/29/06/08/781290608.db2.gz JBUOWBGRUUXFAK-RDDDGLTNSA-N 0 0 259.321 2.654 20 10 CFCDRN CSC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494565 781291610 /nfs/dbraw/zinc/29/16/10/781291610.db2.gz LYLLGRGOOKZEQB-UHFFFAOYSA-N 0 0 261.337 2.902 20 10 CFCDRN O=C1CCc2cc(-c3ccc(C4=S=CC=C4)nn3)ccc21 ZINC001242153900 781304908 /nfs/dbraw/zinc/30/49/08/781304908.db2.gz GZHRDBMCYRHNRH-UHFFFAOYSA-N 0 0 292.363 2.898 20 10 CFCDRN CC1(C)CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])OC1 ZINC000711235085 781399520 /nfs/dbraw/zinc/39/95/20/781399520.db2.gz DOTJCXWLUGJIRL-LLVKDONJSA-N 0 0 285.334 2.965 20 10 CFCDRN COCCn1ccc(-c2cccnc2C(F)(F)F)cc1=O ZINC001242377080 781445364 /nfs/dbraw/zinc/44/53/64/781445364.db2.gz SHSWXTRCVIAGBN-UHFFFAOYSA-N 0 0 298.264 2.576 20 10 CFCDRN COc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)cc1C ZINC001242432591 781498118 /nfs/dbraw/zinc/49/81/18/781498118.db2.gz KLLKPYPAMYOPAL-UHFFFAOYSA-N 0 0 298.264 2.790 20 10 CFCDRN COc1ncc(-c2cc(=O)n(C)c3ccccc23)cc1C ZINC001242433096 781499023 /nfs/dbraw/zinc/49/90/23/781499023.db2.gz UQPFJFDNMAKDSK-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN Cn1c(=O)ccc2ccc(-c3cnn4ccccc34)cc21 ZINC001242967378 781887096 /nfs/dbraw/zinc/88/70/96/781887096.db2.gz PWGGSSPXFKNCFH-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1[nH]cnc1CC ZINC000822899961 781913207 /nfs/dbraw/zinc/91/32/07/781913207.db2.gz GQBGUWKOSAGAQQ-UHFFFAOYSA-N 0 0 287.363 2.730 20 10 CFCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccccc1 ZINC000070692514 346911344 /nfs/dbraw/zinc/91/13/44/346911344.db2.gz DJNIGKNTKKOLQO-UHFFFAOYSA-N 0 0 254.333 2.940 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C)CCCC2)cc1 ZINC000070898716 346915569 /nfs/dbraw/zinc/91/55/69/346915569.db2.gz DWSNMTREZNSRMH-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCOCC1 ZINC000070900541 346915602 /nfs/dbraw/zinc/91/56/02/346915602.db2.gz DCTXJQGPZHXHGM-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ncccc21 ZINC000493261259 282229566 /nfs/dbraw/zinc/22/95/66/282229566.db2.gz SPFOIVUNCGANMS-VOTSOKGWSA-N 0 0 285.372 2.839 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCS1 ZINC000075159596 347058537 /nfs/dbraw/zinc/05/85/37/347058537.db2.gz GIFPURZMQMGHKR-HNNXBMFYSA-N 0 0 291.416 2.783 20 10 CFCDRN COCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000028894785 346277215 /nfs/dbraw/zinc/27/72/15/346277215.db2.gz HGYRRYYHNVTCOM-UHFFFAOYSA-N 0 0 298.386 2.829 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041405248 346351037 /nfs/dbraw/zinc/35/10/37/346351037.db2.gz NYEULJIEFJWDRE-ZFWWWQNUSA-N 0 0 287.407 2.742 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)SC ZINC000043007616 346376788 /nfs/dbraw/zinc/37/67/88/346376788.db2.gz GGOBAYIKQZDORD-GFCCVEGCSA-N 0 0 280.437 2.853 20 10 CFCDRN C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000047099514 346445083 /nfs/dbraw/zinc/44/50/83/346445083.db2.gz WTADPILUDYBDDW-GXTWGEPZSA-N 0 0 275.396 2.550 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NCc2ccsc2)cc1 ZINC000048140562 346467330 /nfs/dbraw/zinc/46/73/30/346467330.db2.gz OLKRJTOUVDQCPU-UHFFFAOYSA-N 0 0 289.404 2.814 20 10 CFCDRN Cc1ccoc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058731289 346649030 /nfs/dbraw/zinc/64/90/30/346649030.db2.gz ZAWCNDZULJCVEQ-UHFFFAOYSA-N 0 0 276.311 2.723 20 10 CFCDRN CC(C)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661390 346633727 /nfs/dbraw/zinc/63/37/27/346633727.db2.gz HSCRVRUKKLKWFL-UHFFFAOYSA-N 0 0 289.423 2.866 20 10 CFCDRN CC(C)(C)SCCNC(=O)NCc1ccccc1O ZINC000067413323 346801752 /nfs/dbraw/zinc/80/17/52/346801752.db2.gz WHTXHUHWBFCLRX-UHFFFAOYSA-N 0 0 282.409 2.723 20 10 CFCDRN FC(F)c1nnc2ccc(Sc3nccs3)nn21 ZINC000092621795 347635295 /nfs/dbraw/zinc/63/52/95/347635295.db2.gz UROVJPYPBIGFAX-UHFFFAOYSA-N 0 0 285.304 2.670 20 10 CFCDRN Cc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)ncn1 ZINC000092925980 347652154 /nfs/dbraw/zinc/65/21/54/347652154.db2.gz MOEMPTGNMLXULG-OAHLLOKOSA-N 0 0 299.374 2.676 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC=CCC1 ZINC000172628376 348099935 /nfs/dbraw/zinc/09/99/35/348099935.db2.gz YQSQCUDHRPXSOF-INIZCTEOSA-N 0 0 297.402 2.971 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC1(C)C ZINC000611658156 351721657 /nfs/dbraw/zinc/72/16/57/351721657.db2.gz RKHRGIRTXLSCCW-CYBMUJFWSA-N 0 0 288.391 2.914 20 10 CFCDRN C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000168630945 295885989 /nfs/dbraw/zinc/88/59/89/295885989.db2.gz OJBURKZFTHETPH-QMMMGPOBSA-N 0 0 277.195 2.739 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(CF)CCC1 ZINC000335381915 540265431 /nfs/dbraw/zinc/26/54/31/540265431.db2.gz KLGSYDIZGALAFS-UHFFFAOYSA-N 0 0 292.354 2.618 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000294709207 199145899 /nfs/dbraw/zinc/14/58/99/199145899.db2.gz OQNOHVFTXPXKNG-XYPYZODXSA-N 0 0 287.762 2.920 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881354 299387784 /nfs/dbraw/zinc/38/77/84/299387784.db2.gz GDBRDPLWDDEMNB-ZLKJLUDKSA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(F)c(F)c1[O-] ZINC000296473809 296121160 /nfs/dbraw/zinc/12/11/60/296121160.db2.gz NXDDVWUCANIZBX-SECBINFHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(F)c(F)c1[O-] ZINC000296468230 296127108 /nfs/dbraw/zinc/12/71/08/296127108.db2.gz NPWRATKSOTVVDJ-VHSXEESVSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(F)c(F)c1[O-] ZINC000276981464 296148251 /nfs/dbraw/zinc/14/82/51/296148251.db2.gz VXKZUBSTIUBROA-VHSXEESVSA-N 0 0 281.306 2.606 20 10 CFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn[nH]c1 ZINC000676866778 541800025 /nfs/dbraw/zinc/80/00/25/541800025.db2.gz YJBPLHPHQMCTGJ-WZUFQYTHSA-N 0 0 298.371 2.742 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(F)c(F)c1[O-] ZINC000276944163 296165032 /nfs/dbraw/zinc/16/50/32/296165032.db2.gz PYSSCLJBKCMRIB-SFYZADRCSA-N 0 0 259.321 2.827 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)c(F)c1[O-] ZINC000187796360 296165333 /nfs/dbraw/zinc/16/53/33/296165333.db2.gz UFACEQNTWLAMKW-SCZZXKLOSA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@H]([NH2+][C@H]1CSC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283428945 299428270 /nfs/dbraw/zinc/42/82/70/299428270.db2.gz SDXCQDQFSUQUGM-UFBFGSQYSA-N 0 0 282.365 2.845 20 10 CFCDRN CCN(CC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000112214695 375892589 /nfs/dbraw/zinc/89/25/89/375892589.db2.gz BBWHCRXUBQIVJG-UHFFFAOYSA-N 0 0 293.386 2.833 20 10 CFCDRN COc1ccc(N2CCN(C(=O)CCC3CC3)CC2)cc1 ZINC000115001626 376098811 /nfs/dbraw/zinc/09/88/11/376098811.db2.gz NOGVATOHHLRIIB-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN CCOc1cccc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC000126928377 377253684 /nfs/dbraw/zinc/25/36/84/377253684.db2.gz OYWQJVVHPOSFOM-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN Cc1ccc(O)c(C[N@H+](C)CCC2CCOCC2)c1 ZINC000129682634 377461032 /nfs/dbraw/zinc/46/10/32/377461032.db2.gz QZZRGTROXYISTP-UHFFFAOYSA-N 0 0 263.381 2.949 20 10 CFCDRN CSc1cncc(NCc2ccc(N(C)C)cc2)n1 ZINC000131190647 377672828 /nfs/dbraw/zinc/67/28/28/377672828.db2.gz SUXQYSIAHQAIRR-UHFFFAOYSA-N 0 0 274.393 2.877 20 10 CFCDRN CCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134554385 378030436 /nfs/dbraw/zinc/03/04/36/378030436.db2.gz MPSJCECGCDMCAL-JTQLQIEISA-N 0 0 278.179 2.950 20 10 CFCDRN CCCC[C@H](NCc1cccc(C)c1O)C(=O)OC ZINC000154616721 378584951 /nfs/dbraw/zinc/58/49/51/378584951.db2.gz MXDWHJOMCGRIOU-ZDUSSCGKSA-N 0 0 265.353 2.522 20 10 CFCDRN Cc1ncsc1CN1CCOc2cc(N(C)C)ccc21 ZINC000154913985 378601344 /nfs/dbraw/zinc/60/13/44/378601344.db2.gz YVLSGCQPESEYRI-UHFFFAOYSA-N 0 0 289.404 2.917 20 10 CFCDRN C[C@@H](F)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000378848517 781967901 /nfs/dbraw/zinc/96/79/01/781967901.db2.gz BYELHTYXNRPANZ-MRVPVSSYSA-N 0 0 276.149 2.992 20 10 CFCDRN COc1ccc(O)c(CNc2cccc3c2OCC3)c1 ZINC000529639794 383741068 /nfs/dbraw/zinc/74/10/68/383741068.db2.gz FDUSBIYKCJEYHL-UHFFFAOYSA-N 0 0 271.316 2.948 20 10 CFCDRN CCC1(CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000176388258 380226078 /nfs/dbraw/zinc/22/60/78/380226078.db2.gz ZLDATNRISLMJIJ-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000177686776 380367344 /nfs/dbraw/zinc/36/73/44/380367344.db2.gz RZQQHLMFAGOXJQ-WDEREUQCSA-N 0 0 295.404 2.810 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000177686745 380367960 /nfs/dbraw/zinc/36/79/60/380367960.db2.gz RZQQHLMFAGOXJQ-MNOVXSKESA-N 0 0 295.404 2.810 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000178459611 380453183 /nfs/dbraw/zinc/45/31/83/380453183.db2.gz ATOOWNGVOZPOTJ-GFCCVEGCSA-N 0 0 272.392 2.731 20 10 CFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000178524703 380461083 /nfs/dbraw/zinc/46/10/83/380461083.db2.gz AONYMDAYIPGMIQ-LLVKDONJSA-N 0 0 274.364 2.524 20 10 CFCDRN Cc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)c(O)c1O ZINC000179457088 380545493 /nfs/dbraw/zinc/54/54/93/380545493.db2.gz MSQWGGWGURPFAD-SNVBAGLBSA-N 0 0 275.348 2.809 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c(O)c1O ZINC000179519974 380553025 /nfs/dbraw/zinc/55/30/25/380553025.db2.gz KEQPEFZCJFPVFD-DGCLKSJQSA-N 0 0 275.348 2.811 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCO[C@H](C)C2)c1O ZINC000179646869 380566828 /nfs/dbraw/zinc/56/68/28/380566828.db2.gz NPSHUMWIJWNSGL-SNVBAGLBSA-N 0 0 255.745 2.575 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000180624683 380682586 /nfs/dbraw/zinc/68/25/86/380682586.db2.gz RCBLIQXRAAJOPA-JTQLQIEISA-N 0 0 255.745 2.514 20 10 CFCDRN CN(CC1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180721495 380693444 /nfs/dbraw/zinc/69/34/44/380693444.db2.gz PVYAGSJIYAFYHU-VQHVLOKHSA-N 0 0 275.348 2.760 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C1CC1)C1CC1 ZINC000180725237 380694910 /nfs/dbraw/zinc/69/49/10/380694910.db2.gz XZJZAIVTYXHBJL-YCRREMRBSA-N 0 0 287.359 2.758 20 10 CFCDRN C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180910032 380712013 /nfs/dbraw/zinc/71/20/13/380712013.db2.gz SSOJCGMLAVJZSI-PZBABLGHSA-N 0 0 298.342 2.516 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2c([nH]1)CCCC2 ZINC000295386240 380823250 /nfs/dbraw/zinc/82/32/50/380823250.db2.gz XYAFVWLTGVURPS-UHFFFAOYSA-N 0 0 270.332 2.529 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287562564 380868722 /nfs/dbraw/zinc/86/87/22/380868722.db2.gz QEXUTQZWWFMKNV-GRYCIOLGSA-N 0 0 294.351 2.624 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000287417227 380827709 /nfs/dbraw/zinc/82/77/09/380827709.db2.gz JYQIOQKCMUPRFQ-QKCSRTOESA-N 0 0 267.344 2.733 20 10 CFCDRN CS[C@@H]1CCCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295476609 380883201 /nfs/dbraw/zinc/88/32/01/380883201.db2.gz PJEDXOBARKBJNN-SECBINFHSA-N 0 0 299.367 2.595 20 10 CFCDRN CS[C@H]1CCCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295476617 380883235 /nfs/dbraw/zinc/88/32/35/380883235.db2.gz PJEDXOBARKBJNN-VIFPVBQESA-N 0 0 299.367 2.595 20 10 CFCDRN CN(C)c1ccc(CNc2nnc([C@H]3CCCO3)o2)cc1 ZINC000181790570 380895724 /nfs/dbraw/zinc/89/57/24/380895724.db2.gz PLBOPRRGBADVGX-CYBMUJFWSA-N 0 0 288.351 2.599 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000287690500 380909026 /nfs/dbraw/zinc/90/90/26/380909026.db2.gz WRIUZZNIPSFAIQ-DCAQKATOSA-N 0 0 285.334 2.994 20 10 CFCDRN CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000287694895 380909202 /nfs/dbraw/zinc/90/92/02/380909202.db2.gz WVGRUCCASQXQOE-OFQRWUPVSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295616004 380975477 /nfs/dbraw/zinc/97/54/77/380975477.db2.gz ZHWOPHJTXKYHJY-CHWSQXEVSA-N 0 0 277.364 2.583 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1cccc(Cl)c1[O-] ZINC000287768558 380934140 /nfs/dbraw/zinc/93/41/40/380934140.db2.gz RJSBFIDNVVUOSK-ZWNOBZJWSA-N 0 0 294.786 2.767 20 10 CFCDRN CCOc1ccc(O)c(CN[C@H](C)C(F)(F)F)c1 ZINC000288349974 381011532 /nfs/dbraw/zinc/01/15/32/381011532.db2.gz BZCMDFXYDBBHKS-MRVPVSSYSA-N 0 0 263.259 2.831 20 10 CFCDRN COc1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1O ZINC000288436564 381013345 /nfs/dbraw/zinc/01/33/45/381013345.db2.gz LMKZLFIMJVMASS-LBPRGKRZSA-N 0 0 275.270 2.831 20 10 CFCDRN C[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)c1ccccc1 ZINC000288432337 381013729 /nfs/dbraw/zinc/01/37/29/381013729.db2.gz BTQWBOUPYWEAGY-BLLLJJGKSA-N 0 0 257.333 2.604 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000289105235 381026132 /nfs/dbraw/zinc/02/61/32/381026132.db2.gz QCAONIUYCKNMQB-SECBINFHSA-N 0 0 289.301 2.503 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)c(O)c1O ZINC000182499761 381100935 /nfs/dbraw/zinc/10/09/35/381100935.db2.gz MZOZSMHCPARLRG-GXSJLCMTSA-N 0 0 263.337 2.667 20 10 CFCDRN CCCOc1ccc(CNc2nnc(CC)o2)c(O)c1 ZINC000295898361 381144410 /nfs/dbraw/zinc/14/44/10/381144410.db2.gz IOKYIQLNHPXNAL-UHFFFAOYSA-N 0 0 277.324 2.739 20 10 CFCDRN CC(C)[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183420983 381270008 /nfs/dbraw/zinc/27/00/08/381270008.db2.gz CROIFYXSKJGAIA-NWDGAFQWSA-N 0 0 279.380 2.827 20 10 CFCDRN Cc1ccccc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183482864 381278315 /nfs/dbraw/zinc/27/83/15/381278315.db2.gz CLCAGAAATSBONM-ZDUSSCGKSA-N 0 0 299.370 2.696 20 10 CFCDRN C[N@H+](CCc1ccncc1)Cc1cc(F)ccc1O ZINC000183756383 381314622 /nfs/dbraw/zinc/31/46/22/381314622.db2.gz ZBGDEJWASFCMMH-UHFFFAOYSA-N 0 0 260.312 2.601 20 10 CFCDRN CCc1nsc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000184146685 381376962 /nfs/dbraw/zinc/37/69/62/381376962.db2.gz MIZMUKJJUWFGMM-QMMMGPOBSA-N 0 0 279.365 2.555 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(C)cc1O ZINC000296458550 381405145 /nfs/dbraw/zinc/40/51/45/381405145.db2.gz NDNNVEICADNTOL-CYBMUJFWSA-N 0 0 286.379 2.937 20 10 CFCDRN Cc1nn(C)cc1/C=C1\c2cc(C)ccc2N(C)C1=O ZINC000290534925 381469897 /nfs/dbraw/zinc/46/98/97/381469897.db2.gz ONKFUYFSZXUOOC-RIYZIHGNSA-N 0 0 267.332 2.554 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000297022578 381549817 /nfs/dbraw/zinc/54/98/17/381549817.db2.gz VKRBSOQTPXTPOU-HOTGVXAUSA-N 0 0 296.370 2.995 20 10 CFCDRN CC(F)(F)CCCNC(=O)NCc1ccccc1O ZINC000297206517 381552922 /nfs/dbraw/zinc/55/29/22/381552922.db2.gz OMAYLGWJCDBCCQ-UHFFFAOYSA-N 0 0 272.295 2.627 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)c2cccn2C)C2CC2)cc1 ZINC000298339287 381583761 /nfs/dbraw/zinc/58/37/61/381583761.db2.gz CSJUAZVDJGKKGD-UHFFFAOYSA-N 0 0 297.402 2.896 20 10 CFCDRN CCOC1CC(Sc2ncc(C(=O)OC)s2)C1 ZINC000298261905 381582124 /nfs/dbraw/zinc/58/21/24/381582124.db2.gz ONQCBZAIKSFYKR-UHFFFAOYSA-N 0 0 273.379 2.589 20 10 CFCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000297192128 381553837 /nfs/dbraw/zinc/55/38/37/381553837.db2.gz FMIYLNFFLPVSJB-AAEUAGOBSA-N 0 0 295.379 2.645 20 10 CFCDRN Nc1ccc(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000297253703 381555452 /nfs/dbraw/zinc/55/54/52/381555452.db2.gz QXTQZBHKSWMMJS-IEBWSBKVSA-N 0 0 292.382 2.789 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185199553 381562778 /nfs/dbraw/zinc/56/27/78/381562778.db2.gz WUCQMGUNZDPOLD-YGRLFVJLSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185349455 381607467 /nfs/dbraw/zinc/60/74/67/381607467.db2.gz LFJBXCFSVBBZIE-VHSXEESVSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185474985 381643858 /nfs/dbraw/zinc/64/38/58/381643858.db2.gz ZQNWVMBNPJTFMW-DGIBIBHMSA-N 0 0 287.400 2.729 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000371529682 381652188 /nfs/dbraw/zinc/65/21/88/381652188.db2.gz UHDAXKQEPFDLAM-AWEZNQCLSA-N 0 0 289.354 2.783 20 10 CFCDRN CC[C@](C)(NC(=O)c1cccc(O)c1O)c1nccs1 ZINC000185708309 381711807 /nfs/dbraw/zinc/71/18/07/381711807.db2.gz LHFVWONGAWVONK-AWEZNQCLSA-N 0 0 292.360 2.610 20 10 CFCDRN CC(C)OC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000372116030 381753801 /nfs/dbraw/zinc/75/38/01/381753801.db2.gz INAJYOFSLKZZDG-CQSZACIVSA-N 0 0 299.798 2.671 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3CCCC3(C)C)ccc21 ZINC000372444668 381818742 /nfs/dbraw/zinc/81/87/42/381818742.db2.gz AUQVPMQWMNPEGV-UHFFFAOYSA-N 0 0 287.407 2.763 20 10 CFCDRN Cc1cc(CN2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000372806187 381872429 /nfs/dbraw/zinc/87/24/29/381872429.db2.gz UUTZHIXZXDUZOV-UHFFFAOYSA-N 0 0 283.375 2.948 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000375252481 382073223 /nfs/dbraw/zinc/07/32/23/382073223.db2.gz IPMIPJOUEMTUAU-WBMJQRKESA-N 0 0 277.364 2.574 20 10 CFCDRN CCN(C)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000376316308 382130631 /nfs/dbraw/zinc/13/06/31/382130631.db2.gz ZUYYNUYTTBDJAJ-UHFFFAOYSA-N 0 0 273.380 2.523 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000293544064 382166121 /nfs/dbraw/zinc/16/61/21/382166121.db2.gz GHXSQJFVGXBJRT-MRVPVSSYSA-N 0 0 261.749 2.780 20 10 CFCDRN C[N@H+](CCc1cnccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293545258 382167330 /nfs/dbraw/zinc/16/73/30/382167330.db2.gz GLDFZWBMGTVNGQ-UHFFFAOYSA-N 0 0 295.745 2.649 20 10 CFCDRN CCCc1nc(C)c(C(=O)NCc2ccccc2O)o1 ZINC000293671471 382225554 /nfs/dbraw/zinc/22/55/54/382225554.db2.gz JYQLRZXWUPZTEW-UHFFFAOYSA-N 0 0 274.320 2.571 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOCC2)cc1 ZINC000363084575 382225874 /nfs/dbraw/zinc/22/58/74/382225874.db2.gz KZIFYXUCYKXUOG-UHFFFAOYSA-N 0 0 298.386 2.957 20 10 CFCDRN CC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293706511 382242571 /nfs/dbraw/zinc/24/25/71/382242571.db2.gz UFZMBAPJSRJOIM-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1C=CCCC1 ZINC000187717911 382255410 /nfs/dbraw/zinc/25/54/10/382255410.db2.gz PSQVVFIEEFKSEQ-STQMWFEESA-N 0 0 289.375 2.891 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccccc1O ZINC000293751090 382263319 /nfs/dbraw/zinc/26/33/19/382263319.db2.gz RISQHFIQLPBZQZ-OCCSQVGLSA-N 0 0 250.386 2.631 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[nH]n1 ZINC000187798952 382271090 /nfs/dbraw/zinc/27/10/90/382271090.db2.gz ZAADEQUCFNUQDC-SCZZXKLOSA-N 0 0 295.333 2.984 20 10 CFCDRN COC(CSc1ncc(-c2ccccc2)n1C)OC ZINC000188265759 382380002 /nfs/dbraw/zinc/38/00/02/382380002.db2.gz BAUAXEKTEJSMHQ-UHFFFAOYSA-N 0 0 278.377 2.798 20 10 CFCDRN COc1cccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000294025059 382383068 /nfs/dbraw/zinc/38/30/68/382383068.db2.gz NTOLHDPCINFDTM-KRWDZBQOSA-N 0 0 293.407 2.631 20 10 CFCDRN C[C@@H]1CC[C@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000188582465 382438565 /nfs/dbraw/zinc/43/85/65/382438565.db2.gz LCSQNNYGZHGUDK-TZMCWYRMSA-N 0 0 276.380 2.519 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000365558261 382411754 /nfs/dbraw/zinc/41/17/54/382411754.db2.gz CIQPJJAVJUPEOK-SECBINFHSA-N 0 0 285.746 2.653 20 10 CFCDRN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294713577 382525109 /nfs/dbraw/zinc/52/51/09/382525109.db2.gz OXSODFBTCCLWCQ-PELKAZGASA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294713584 382525459 /nfs/dbraw/zinc/52/54/59/382525459.db2.gz OXSODFBTCCLWCQ-QPUJVOFHSA-N 0 0 273.735 2.699 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CSC1CC1 ZINC000294705652 382525807 /nfs/dbraw/zinc/52/58/07/382525807.db2.gz LLKORUITAPRSDB-UHFFFAOYSA-N 0 0 292.448 2.997 20 10 CFCDRN COCC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000294540642 382515462 /nfs/dbraw/zinc/51/54/62/382515462.db2.gz DPLWYLBOBLSLPQ-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN CCC1(CC)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295182424 382579156 /nfs/dbraw/zinc/57/91/56/382579156.db2.gz TUJLGYSSTRTKPA-UHFFFAOYSA-N 0 0 281.327 2.889 20 10 CFCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H](C)C1 ZINC000193146542 382716395 /nfs/dbraw/zinc/71/63/95/382716395.db2.gz ZPAUAKHDBGQIRF-WDEREUQCSA-N 0 0 263.337 2.606 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245642671 383018697 /nfs/dbraw/zinc/01/86/97/383018697.db2.gz DXKBGRQLWXVTTA-CHWSQXEVSA-N 0 0 299.823 2.752 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000248527924 383253461 /nfs/dbraw/zinc/25/34/61/383253461.db2.gz IFEKNVZZPZUSNS-OLZOCXBDSA-N 0 0 278.396 2.536 20 10 CFCDRN CN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1ccccc1 ZINC000426586351 383406437 /nfs/dbraw/zinc/40/64/37/383406437.db2.gz BLCPCIGAFOZURE-UHFFFAOYSA-N 0 0 280.331 2.692 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCCc3cccc(F)c32)cnn1C ZINC000255463516 383482309 /nfs/dbraw/zinc/48/23/09/383482309.db2.gz HUSVDGBHSQGTLR-HJWRWDBZSA-N 0 0 299.349 2.860 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N2CCN(C)c3ccccc32)s1 ZINC000255113745 383475932 /nfs/dbraw/zinc/47/59/32/383475932.db2.gz CBHKZEUNJOQMGJ-FPLPWBNLSA-N 0 0 299.399 2.948 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccncc1 ZINC000255264957 383478754 /nfs/dbraw/zinc/47/87/54/383478754.db2.gz MIIAGIWTWSQXRH-ARJAWSKDSA-N 0 0 271.295 2.682 20 10 CFCDRN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000255564997 383483998 /nfs/dbraw/zinc/48/39/98/383483998.db2.gz ACCAJVUUSXXKKF-KTKRTIGZSA-N 0 0 283.287 2.666 20 10 CFCDRN CC1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265891757 384024723 /nfs/dbraw/zinc/02/47/23/384024723.db2.gz FRGGLPPXBAIOGB-HNNXBMFYSA-N 0 0 285.391 2.661 20 10 CFCDRN COc1ccc(N(C)CCC(C)(C)O)cc1Cl ZINC000268175129 384554747 /nfs/dbraw/zinc/55/47/47/384554747.db2.gz MKECDBDZJQWXII-UHFFFAOYSA-N 0 0 257.761 2.946 20 10 CFCDRN CC[C@@H](N[C@H](C)c1nncn1C)c1ccc(N(C)C)cc1 ZINC000268833977 384673700 /nfs/dbraw/zinc/67/37/00/384673700.db2.gz CVVTVQICCAFOGB-IUODEOHRSA-N 0 0 287.411 2.683 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1C ZINC000268850650 384675715 /nfs/dbraw/zinc/67/57/15/384675715.db2.gz POADJFHGZMRVAF-CQSZACIVSA-N 0 0 271.364 2.899 20 10 CFCDRN O=C(C=C1CCCCC1)NCc1ccc(O)c(O)c1 ZINC000269063667 384719841 /nfs/dbraw/zinc/71/98/41/384719841.db2.gz CACWLEWUXABUHE-UHFFFAOYSA-N 0 0 261.321 2.605 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000270231114 385023296 /nfs/dbraw/zinc/02/32/96/385023296.db2.gz JMPYYYMYCAAEGA-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN Cc1ccncc1CN(C)c1ccc2c(c1)OCO2 ZINC000270354386 385067650 /nfs/dbraw/zinc/06/76/50/385067650.db2.gz QLGPMHUFCYGLKM-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN Cc1cnc(NCc2ccc(N(C)C)c(F)c2)nc1C ZINC000270699965 385197057 /nfs/dbraw/zinc/19/70/57/385197057.db2.gz LWIVNWRSOTVPLB-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC1 ZINC000282378871 385296897 /nfs/dbraw/zinc/29/68/97/385296897.db2.gz CSOZLAHFJJZEAX-AWEZNQCLSA-N 0 0 277.364 2.557 20 10 CFCDRN CCCCN(Cc1nnc(C)n1C)Cc1ccccc1O ZINC000282552191 385339805 /nfs/dbraw/zinc/33/98/05/385339805.db2.gz XGNIUBGPRXFVJG-UHFFFAOYSA-N 0 0 288.395 2.631 20 10 CFCDRN Cc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)no1 ZINC000282634198 385357989 /nfs/dbraw/zinc/35/79/89/385357989.db2.gz JXGJCNXCLSAXHO-GFCCVEGCSA-N 0 0 259.353 2.900 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000271751033 385390057 /nfs/dbraw/zinc/39/00/57/385390057.db2.gz VIGGXKVFJCYMGW-YPMHNXCESA-N 0 0 289.297 2.588 20 10 CFCDRN CC(C)OC(=O)[C@@H](C)N(C)Cc1c(O)cccc1Cl ZINC000271184563 385367204 /nfs/dbraw/zinc/36/72/04/385367204.db2.gz LOKWVAKWKMDUNL-SNVBAGLBSA-N 0 0 285.771 2.818 20 10 CFCDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000271247392 385377946 /nfs/dbraw/zinc/37/79/46/385377946.db2.gz GMUUUQUNJFCDNE-UHFFFAOYSA-N 0 0 263.337 2.811 20 10 CFCDRN CCc1nsc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000271557890 385385559 /nfs/dbraw/zinc/38/55/59/385385559.db2.gz PTXWGPZBEBAEGP-UHFFFAOYSA-N 0 0 276.409 2.803 20 10 CFCDRN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271883792 385395249 /nfs/dbraw/zinc/39/52/49/385395249.db2.gz RNIQNTBSNQOAPY-ZFWWWQNUSA-N 0 0 290.407 2.526 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ccc(OC)nn2)cc1 ZINC000283102898 385436145 /nfs/dbraw/zinc/43/61/45/385436145.db2.gz LXSHLTBTYDTAOX-UHFFFAOYSA-N 0 0 287.363 2.910 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000272260935 385491421 /nfs/dbraw/zinc/49/14/21/385491421.db2.gz KCMASJSBYZTLJK-ZDUSSCGKSA-N 0 0 288.322 2.580 20 10 CFCDRN CN(Cc1cscn1)Cc1cccc(F)c1O ZINC000272297488 385502596 /nfs/dbraw/zinc/50/25/96/385502596.db2.gz PCLXHWNGYXWBKB-UHFFFAOYSA-N 0 0 252.314 2.620 20 10 CFCDRN CC[C@H]([NH2+][C@H](CCO)C(C)C)c1ccc(F)cc1[O-] ZINC000285529311 385556068 /nfs/dbraw/zinc/55/60/68/385556068.db2.gz BPDGDGNDFUUJJH-UONOGXRCSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000285744762 385557334 /nfs/dbraw/zinc/55/73/34/385557334.db2.gz RHZGJCHETIMTKM-WCQYABFASA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000285917796 385558929 /nfs/dbraw/zinc/55/89/29/385558929.db2.gz CFZAHDLPPUPIBI-CMPLNLGQSA-N 0 0 295.276 2.885 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000286150857 385564927 /nfs/dbraw/zinc/56/49/27/385564927.db2.gz PKWIEYKBDASRMU-FZMZJTMJSA-N 0 0 269.360 2.981 20 10 CFCDRN CCN1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000062747917 285191790 /nfs/dbraw/zinc/19/17/90/285191790.db2.gz MZWGRYPFJFYWAF-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419937 385682505 /nfs/dbraw/zinc/68/25/05/385682505.db2.gz RUNCKVFWWPEXFS-LBPRGKRZSA-N 0 0 295.383 2.683 20 10 CFCDRN CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000273499729 385686597 /nfs/dbraw/zinc/68/65/97/385686597.db2.gz PVGSLRGHZQWMCU-JTQLQIEISA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccncc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273603167 385691557 /nfs/dbraw/zinc/69/15/57/385691557.db2.gz SLTHVRPHJOQLFN-LLVKDONJSA-N 0 0 287.319 2.589 20 10 CFCDRN O=C(NCCC[C@@H]1CCCCO1)NCc1ccccc1O ZINC000273726357 385693887 /nfs/dbraw/zinc/69/38/87/385693887.db2.gz NHOWXLYIALONNW-AWEZNQCLSA-N 0 0 292.379 2.541 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Nc2cncnc2)cc1 ZINC000274334878 385768604 /nfs/dbraw/zinc/76/86/04/385768604.db2.gz JOBDYVKQTDBXLX-UHFFFAOYSA-N 0 0 299.378 2.645 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cncnc1 ZINC000274331405 385768844 /nfs/dbraw/zinc/76/88/44/385768844.db2.gz IWOJWVXMCZLENY-UHFFFAOYSA-N 0 0 286.335 2.626 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276865255 386064371 /nfs/dbraw/zinc/06/43/71/386064371.db2.gz DCMVDNHYWXFZTM-UTLUCORTSA-N 0 0 271.307 2.889 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(SC)CC2)c1 ZINC000279056516 292014049 /nfs/dbraw/zinc/01/40/49/292014049.db2.gz KNFOPNJFJMKIDO-JTQLQIEISA-N 0 0 295.404 2.725 20 10 CFCDRN COc1cccc(CNc2ccccc2[N+](=O)[O-])c1O ZINC000037058982 393526846 /nfs/dbraw/zinc/52/68/46/393526846.db2.gz ZEIDJJLTCJRZQQ-UHFFFAOYSA-N 0 0 274.276 2.921 20 10 CFCDRN COc1ccc(O)c(CNc2ccccc2[N+](=O)[O-])c1 ZINC000037058813 393527510 /nfs/dbraw/zinc/52/75/10/393527510.db2.gz CCWIGBQIAVEBGH-UHFFFAOYSA-N 0 0 274.276 2.921 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2=CCCC2)c1 ZINC000120137775 393930613 /nfs/dbraw/zinc/93/06/13/393930613.db2.gz MXWARBDNFDQVNR-UHFFFAOYSA-N 0 0 262.309 2.890 20 10 CFCDRN CCOc1cccc(CN(C)Cc2cscn2)c1O ZINC000120225678 393932264 /nfs/dbraw/zinc/93/22/64/393932264.db2.gz OPDVSKOVPFHJQS-UHFFFAOYSA-N 0 0 278.377 2.879 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cscn1 ZINC000348633747 393955453 /nfs/dbraw/zinc/95/54/53/393955453.db2.gz KFBOJSHLNDHGEF-UHFFFAOYSA-N 0 0 285.372 2.873 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc(C)cn1 ZINC000348671048 393956530 /nfs/dbraw/zinc/95/65/30/393956530.db2.gz VNACZPGVCJXPBB-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(F)(F)F ZINC000348727389 393957774 /nfs/dbraw/zinc/95/77/74/393957774.db2.gz FIXLQLWTTXXRCP-UHFFFAOYSA-N 0 0 299.296 2.848 20 10 CFCDRN CCC(=CC(=O)NCCc1ccc(O)c(O)c1)CC ZINC000122786805 393972083 /nfs/dbraw/zinc/97/20/83/393972083.db2.gz YYWOKAJHGKEGNJ-UHFFFAOYSA-N 0 0 263.337 2.503 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278274864 394060690 /nfs/dbraw/zinc/06/06/90/394060690.db2.gz SFRPVRGHEHOKOA-MNOVXSKESA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278238720 394060803 /nfs/dbraw/zinc/06/08/03/394060803.db2.gz NQGQPIXHCOXPFK-QWRGUYRKSA-N 0 0 294.351 2.929 20 10 CFCDRN CN(C(=O)/C=C/c1cnccn1)c1cccc2cccnc21 ZINC000492570887 394072191 /nfs/dbraw/zinc/07/21/91/394072191.db2.gz YXMNIDVCOAIMDO-BQYQJAHWSA-N 0 0 290.326 2.701 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCSc2ccccc21 ZINC000492774162 394076614 /nfs/dbraw/zinc/07/66/14/394076614.db2.gz WLMUQZBDTODPJH-VOTSOKGWSA-N 0 0 285.372 2.952 20 10 CFCDRN C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492861851 394084566 /nfs/dbraw/zinc/08/45/66/394084566.db2.gz QTMQRMCGUQKPDV-JMEBYUIHSA-N 0 0 253.305 2.573 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCS1 ZINC000272979898 394032498 /nfs/dbraw/zinc/03/24/98/394032498.db2.gz UKXXARPCVSJAPW-CYBMUJFWSA-N 0 0 265.378 2.636 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc(F)n1 ZINC000493084082 394142959 /nfs/dbraw/zinc/14/29/59/394142959.db2.gz KQKWREURNUQRGB-VURMDHGXSA-N 0 0 291.713 2.945 20 10 CFCDRN CN(C(=O)/C=C\c1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000493086008 394143667 /nfs/dbraw/zinc/14/36/67/394143667.db2.gz QFHXGVKAUOTVSK-SREVYHEPSA-N 0 0 289.316 2.728 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(F)cc1[O-] ZINC000285529307 394144120 /nfs/dbraw/zinc/14/41/20/394144120.db2.gz BPDGDGNDFUUJJH-KGLIPLIRSA-N 0 0 269.360 2.979 20 10 CFCDRN CN1CCc2cc(CNC(=O)CCc3ccoc3)ccc21 ZINC000364415604 394210636 /nfs/dbraw/zinc/21/06/36/394210636.db2.gz JTJKTLWJTOYKQX-UHFFFAOYSA-N 0 0 284.359 2.521 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365232421 394229913 /nfs/dbraw/zinc/22/99/13/394229913.db2.gz COQBCHYKJRTSKL-NSHDSACASA-N 0 0 298.789 2.855 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1ccc(Cl)cn1 ZINC000493420852 394238507 /nfs/dbraw/zinc/23/85/07/394238507.db2.gz OQJOMBXAWZIUKC-HWKANZROSA-N 0 0 279.752 2.868 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)c2nccn21 ZINC000294138374 394289629 /nfs/dbraw/zinc/28/96/29/394289629.db2.gz PAYMOPHZMJYQDL-SWLSCSKDSA-N 0 0 270.380 2.745 20 10 CFCDRN C[C@@H]1CN(C)c2ccccc2N(C(=O)C=Cc2c[nH]cn2)C1 ZINC000493636642 394296951 /nfs/dbraw/zinc/29/69/51/394296951.db2.gz YRHNXWABHTWYFO-MEJMFZKBSA-N 0 0 296.374 2.542 20 10 CFCDRN CCCCOC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000119528598 397600833 /nfs/dbraw/zinc/60/08/33/397600833.db2.gz GFVKFFSHIPMWBU-LBPRGKRZSA-N 0 0 265.353 2.556 20 10 CFCDRN CSC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611056 286675867 /nfs/dbraw/zinc/67/58/67/286675867.db2.gz VWPBJVLDJXVJBI-RKDXNWHRSA-N 0 0 270.354 2.703 20 10 CFCDRN C[C@@H](c1cnccn1)N1CCOc2cc(N(C)C)ccc21 ZINC000184700485 287158995 /nfs/dbraw/zinc/15/89/95/287158995.db2.gz AHNMWCQUIRGWFE-LBPRGKRZSA-N 0 0 284.363 2.503 20 10 CFCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276902525 298794878 /nfs/dbraw/zinc/79/48/78/298794878.db2.gz JELGUOOGYRAILO-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN [NH3+]C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000020521463 171235310 /nfs/dbraw/zinc/23/53/10/171235310.db2.gz IXNZUGCNMKHYGH-UHFFFAOYSA-N 0 0 275.179 2.622 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1C ZINC000022171063 171368358 /nfs/dbraw/zinc/36/83/58/171368358.db2.gz MGCQCVMYBFQENC-LALPHHSUSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000022210027 171373125 /nfs/dbraw/zinc/37/31/25/171373125.db2.gz RFNOQEGCWDIPKL-JTQLQIEISA-N 0 0 274.295 2.814 20 10 CFCDRN Cc1csc(CNCc2ccc3c(c2)CCO3)n1 ZINC000038052039 174063496 /nfs/dbraw/zinc/06/34/96/174063496.db2.gz GHRGFQVCOKGUTK-UHFFFAOYSA-N 0 0 260.362 2.676 20 10 CFCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000076749615 177084966 /nfs/dbraw/zinc/08/49/66/177084966.db2.gz XJHUZKOBCREBBX-UHFFFAOYSA-N 0 0 276.380 2.582 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc[nH]c1=O ZINC000352112888 228183951 /nfs/dbraw/zinc/18/39/51/228183951.db2.gz WZJVGMIXXXJLFR-UHFFFAOYSA-N 0 0 295.342 2.517 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ncccc1F ZINC000090127389 260330034 /nfs/dbraw/zinc/33/00/34/260330034.db2.gz BIFRRANCCRPLES-FNORWQNLSA-N 0 0 291.713 2.945 20 10 CFCDRN CCOc1ccc(N(CC)C(=O)/C=C\c2cnccn2)cc1 ZINC000491186689 261364010 /nfs/dbraw/zinc/36/40/10/261364010.db2.gz PQWISCXXMJVFJV-YHYXMXQVSA-N 0 0 297.358 2.942 20 10 CFCDRN Cc1ccncc1C1=CCN(c2ncnc3[nH]ccc32)CC1 ZINC000363817445 261941062 /nfs/dbraw/zinc/94/10/62/261941062.db2.gz HYEZDQQCXOABFU-UHFFFAOYSA-N 0 0 291.358 2.955 20 10 CFCDRN O=[N+]([O-])c1ccccc1NCCc1ccc(O)c(O)c1 ZINC000301510065 265982094 /nfs/dbraw/zinc/98/20/94/265982094.db2.gz DYLSTKOVYWVFJJ-UHFFFAOYSA-N 0 0 274.276 2.661 20 10 CFCDRN CCCC(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000363202027 267079196 /nfs/dbraw/zinc/07/91/96/267079196.db2.gz LOMDPEGMMBAWJH-UHFFFAOYSA-N 0 0 290.407 2.923 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367738659 267114391 /nfs/dbraw/zinc/11/43/91/267114391.db2.gz BRXSQNLMCKRPIB-AAEUAGOBSA-N 0 0 281.783 2.904 20 10 CFCDRN OC[C@H]1Cc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC000367795652 267117854 /nfs/dbraw/zinc/11/78/54/267117854.db2.gz HPAVQDYHCABAPP-LBPRGKRZSA-N 0 0 287.334 2.703 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC12CCOCC2 ZINC000368474583 267176561 /nfs/dbraw/zinc/17/65/61/267176561.db2.gz OOQNGUSIPNWVRU-UHFFFAOYSA-N 0 0 267.756 2.801 20 10 CFCDRN Cc1ccc(O)c(CNc2nccc(-c3cnn(C)c3)n2)c1 ZINC000370551131 267328440 /nfs/dbraw/zinc/32/84/40/267328440.db2.gz CMWIIOVJWMDHNZ-UHFFFAOYSA-N 0 0 295.346 2.503 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1CCCCCC1 ZINC000827726930 782043164 /nfs/dbraw/zinc/04/31/64/782043164.db2.gz XHZHYHRKJJWUMQ-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180419519 277068689 /nfs/dbraw/zinc/06/86/89/277068689.db2.gz ZKPBNBPADWCQMQ-LLVKDONJSA-N 0 0 283.755 2.573 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C)c1O ZINC000070220488 277105940 /nfs/dbraw/zinc/10/59/40/277105940.db2.gz MXPYYDKBHYEUIA-SECBINFHSA-N 0 0 283.368 2.671 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cncn1C ZINC000270848918 277434315 /nfs/dbraw/zinc/43/43/15/277434315.db2.gz HMCXKVRIWCNAKV-UHFFFAOYSA-N 0 0 271.364 2.772 20 10 CFCDRN CC(F)(F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000293315320 278157638 /nfs/dbraw/zinc/15/76/38/278157638.db2.gz IKGUAAYZTXXSSU-LBPRGKRZSA-N 0 0 299.317 2.555 20 10 CFCDRN CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc(Cl)c1[O-] ZINC000287874122 288036393 /nfs/dbraw/zinc/03/63/93/288036393.db2.gz YBIATDJBDNJFRA-LBPRGKRZSA-N 0 0 298.814 2.859 20 10 CFCDRN C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000126005739 278378206 /nfs/dbraw/zinc/37/82/06/278378206.db2.gz WLLVKDNQMXSBSI-DYVFJYSZSA-N 0 0 297.402 2.630 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287577416 288042554 /nfs/dbraw/zinc/04/25/54/288042554.db2.gz HCOBUWNEJBYWGY-SKDRFNHKSA-N 0 0 257.761 2.857 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000087765623 295352405 /nfs/dbraw/zinc/35/24/05/295352405.db2.gz PFBFYBOHEHKXMR-DZGCQCFKSA-N 0 0 258.365 2.602 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c(O)c1O ZINC000294150691 301496264 /nfs/dbraw/zinc/49/62/64/301496264.db2.gz UVFBAQWLQCGAKP-CQSZACIVSA-N 0 0 277.364 2.913 20 10 CFCDRN Cc1cccc2c1N[C@@H](c1ccc3c(c1)CCN3C)NC2=O ZINC000130172771 302059962 /nfs/dbraw/zinc/05/99/62/302059962.db2.gz UJBOUDRQZVFBCQ-QGZVFWFLSA-N 0 0 293.370 2.841 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CCCc3ccccc32)cnn1C ZINC000255052587 326900609 /nfs/dbraw/zinc/90/06/09/326900609.db2.gz PBIOBHNPRZVWFH-KTKRTIGZSA-N 0 0 281.359 2.721 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3cc(F)ccc32)c1 ZINC000255390026 326969004 /nfs/dbraw/zinc/96/90/04/326969004.db2.gz GEMQLLDSEMKKGW-DJWKRKHSSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3ncccc32)c1 ZINC000255739639 327012178 /nfs/dbraw/zinc/01/21/78/327012178.db2.gz CECYDNYBYRIQEJ-CFHLNLSMSA-N 0 0 295.342 2.612 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCC12CCCC2 ZINC000365537676 327409373 /nfs/dbraw/zinc/40/93/73/327409373.db2.gz MHRFQQFLXKUMSQ-UHFFFAOYSA-N 0 0 261.321 2.647 20 10 CFCDRN C[C@@H]([NH2+]CC1COC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000528028267 330305083 /nfs/dbraw/zinc/30/50/83/330305083.db2.gz VMJVGQOFJGRUGX-SSDOTTSWSA-N 0 0 276.163 2.996 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NCC1CC=CC1 ZINC000528150134 330309736 /nfs/dbraw/zinc/30/97/36/330309736.db2.gz WEPHRAFCNLHHJH-UHFFFAOYSA-N 0 0 280.755 2.811 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000491749383 332325801 /nfs/dbraw/zinc/32/58/01/332325801.db2.gz QSGPRZGZCLMEJD-MMQHEFTJSA-N 0 0 280.327 2.909 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000491749385 332325913 /nfs/dbraw/zinc/32/59/13/332325913.db2.gz QSGPRZGZCLMEJD-YXVBKTCISA-N 0 0 280.327 2.909 20 10 CFCDRN Cc1cccnc1N(C)C(=O)/C=C\c1cncc(F)c1 ZINC000491963392 332377429 /nfs/dbraw/zinc/37/74/29/332377429.db2.gz MIRBZWLFEHFIMK-WAYWQWQTSA-N 0 0 271.295 2.600 20 10 CFCDRN Cc1c(/C=C/C(=O)N(C)c2ccc3cc[nH]c3c2)cnn1C ZINC000491999237 332378585 /nfs/dbraw/zinc/37/85/85/332378585.db2.gz JHJZZACKOZFDIV-FNORWQNLSA-N 0 0 294.358 2.886 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)Oc3ncccc32)cn1 ZINC000492546337 332402615 /nfs/dbraw/zinc/40/26/15/332402615.db2.gz JCLHZXGKPUUDGN-WSROAFLRSA-N 0 0 295.342 2.612 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc(C)n1 ZINC000492653134 332408408 /nfs/dbraw/zinc/40/84/08/332408408.db2.gz QQLNNFHMKYMHJD-FPLPWBNLSA-N 0 0 273.361 2.831 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CCc2cc(F)ccc21 ZINC000492767340 332412690 /nfs/dbraw/zinc/41/26/90/332412690.db2.gz NAIMHSCFLHXZHM-RJRFIUFISA-N 0 0 284.290 2.529 20 10 CFCDRN C[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492859627 332416500 /nfs/dbraw/zinc/41/65/00/332416500.db2.gz GYXQWNXWRNWAOI-ZHRWSRJISA-N 0 0 267.332 2.963 20 10 CFCDRN CSc1cccc(N(C)C(=O)C=Cc2c[nH]cn2)c1 ZINC000492864178 332416756 /nfs/dbraw/zinc/41/67/56/332416756.db2.gz NBYSIHSKHIEFEX-VOTSOKGWSA-N 0 0 273.361 2.808 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCSc2ccncc21 ZINC000176107757 333039449 /nfs/dbraw/zinc/03/94/49/333039449.db2.gz GUJWMPHIWVWVLR-ONEGZZNKSA-N 0 0 283.356 2.629 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528859887 333462291 /nfs/dbraw/zinc/46/22/91/333462291.db2.gz GROXGIKABHXHLN-NWDGAFQWSA-N 0 0 289.356 2.579 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC23CC3)c1 ZINC000528860357 333462334 /nfs/dbraw/zinc/46/23/34/333462334.db2.gz GVGXXKPMEUNKPM-ZDUSSCGKSA-N 0 0 275.348 2.597 20 10 CFCDRN C[C@@H]1[C@@H](C(=O)NCc2ccc3cccnc3c2O)[C@H]1C1CC1 ZINC000529501708 333491274 /nfs/dbraw/zinc/49/12/74/333491274.db2.gz NMRFEYOCHMAVMJ-COLVAYQJSA-N 0 0 296.370 2.849 20 10 CFCDRN CCOCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000293535618 521670791 /nfs/dbraw/zinc/67/07/91/521670791.db2.gz CFRGZHFSCRXWGV-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000278490799 521879715 /nfs/dbraw/zinc/87/97/15/521879715.db2.gz LGMSDMBUECMEIC-SNVBAGLBSA-N 0 0 282.340 2.833 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[C@H]1C ZINC000350081798 533970576 /nfs/dbraw/zinc/97/05/76/533970576.db2.gz PMRVTRIOWNKOAK-MFKMUULPSA-N 0 0 271.364 2.694 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000155959119 518277947 /nfs/dbraw/zinc/27/79/47/518277947.db2.gz OGUJUSQMVCPQRD-GXSJLCMTSA-N 0 0 297.782 2.857 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2cscn2)c1O ZINC000050142242 518282815 /nfs/dbraw/zinc/28/28/15/518282815.db2.gz YZDIHGOGZLNMHO-UHFFFAOYSA-N 0 0 294.351 2.822 20 10 CFCDRN CC(=O)c1cc(F)cc(CN(C)CC(F)(F)F)c1O ZINC000037665109 518284465 /nfs/dbraw/zinc/28/44/65/518284465.db2.gz XWZGTWGHWQGQGN-UHFFFAOYSA-N 0 0 279.233 2.728 20 10 CFCDRN C/C=C/C=C/C(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768581 518511865 /nfs/dbraw/zinc/51/18/65/518511865.db2.gz FYVYVNDWMILJAU-SALQQRKASA-N 0 0 270.376 2.818 20 10 CFCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1cccs1 ZINC000236710089 518524493 /nfs/dbraw/zinc/52/44/93/518524493.db2.gz OSJKTWFRSCTECE-UHFFFAOYSA-N 0 0 288.416 2.967 20 10 CFCDRN CC(C)(C)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000269229821 518974722 /nfs/dbraw/zinc/97/47/22/518974722.db2.gz QKMGBCZNQSMCSA-CQSZACIVSA-N 0 0 260.381 2.848 20 10 CFCDRN C=Cn1cc(CN2CCc3cc(OC)ccc32)cn1 ZINC000193580865 519324615 /nfs/dbraw/zinc/32/46/15/519324615.db2.gz AMPCDWGLOZLVDZ-UHFFFAOYSA-N 0 0 255.321 2.555 20 10 CFCDRN CC(C)=CCCNC(=O)N(C)Cc1ccccc1O ZINC000276841311 519406325 /nfs/dbraw/zinc/40/63/25/519406325.db2.gz PAKNOTNGBZZMCM-UHFFFAOYSA-N 0 0 262.353 2.890 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]n1 ZINC000263698556 519655051 /nfs/dbraw/zinc/65/50/51/519655051.db2.gz OBUQMLMBOLCOSM-UHFFFAOYSA-N 0 0 286.379 2.527 20 10 CFCDRN CC(C)OC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000279172852 519749508 /nfs/dbraw/zinc/74/95/08/519749508.db2.gz CCDXRVBIGJIAMJ-UHFFFAOYSA-N 0 0 292.379 2.500 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2cnn(C)c2)cc1 ZINC000191586100 519780275 /nfs/dbraw/zinc/78/02/75/519780275.db2.gz DVAUQXMNPDDQFO-UHFFFAOYSA-N 0 0 259.353 2.844 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)nc1 ZINC000289704115 519835151 /nfs/dbraw/zinc/83/51/51/519835151.db2.gz BKOQCIITYPZIRD-UHFFFAOYSA-N 0 0 270.332 2.841 20 10 CFCDRN CCC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272531004 519858670 /nfs/dbraw/zinc/85/86/70/519858670.db2.gz ANJYJCPTHJGVRY-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN CC(C)c1occc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000280207068 519914492 /nfs/dbraw/zinc/91/44/92/519914492.db2.gz GJRRGXWDPKWSOF-UHFFFAOYSA-N 0 0 289.331 2.787 20 10 CFCDRN CCOCc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000237001789 520187760 /nfs/dbraw/zinc/18/77/60/520187760.db2.gz OIANXOVFJBRMHY-UHFFFAOYSA-N 0 0 298.386 2.664 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2nncn2C)cc1 ZINC000268934497 520288542 /nfs/dbraw/zinc/28/85/42/520288542.db2.gz UEWBIVNULWXZHK-OLZOCXBDSA-N 0 0 287.411 2.683 20 10 CFCDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ncn(C)n2)cc1 ZINC000275734986 520289710 /nfs/dbraw/zinc/28/97/10/520289710.db2.gz PQFNTYJQPOGHRH-STQMWFEESA-N 0 0 287.411 2.683 20 10 CFCDRN CCN(CC(=O)NC1CCCC1)c1ccc(OC)cc1 ZINC000299343361 520329134 /nfs/dbraw/zinc/32/91/34/520329134.db2.gz FKXFCJANUJVLLQ-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000277653285 520533037 /nfs/dbraw/zinc/53/30/37/520533037.db2.gz ZEWJUKZMFFYPBI-SECBINFHSA-N 0 0 298.180 2.817 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)COC(C)C ZINC000282453594 520547619 /nfs/dbraw/zinc/54/76/19/520547619.db2.gz IXTADNXSUQQLGT-UHFFFAOYSA-N 0 0 279.380 2.946 20 10 CFCDRN CCC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000264989116 520612679 /nfs/dbraw/zinc/61/26/79/520612679.db2.gz JPVMCTMIIJJRAT-CQSZACIVSA-N 0 0 290.407 2.576 20 10 CFCDRN CCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272511992 520636156 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ZINC000754729998 574117504 /nfs/dbraw/zinc/11/75/04/574117504.db2.gz JRKCIUQFKSPJLP-ZDUSSCGKSA-N 0 0 273.336 2.729 20 10 CFCDRN Cc1ccc(C(=O)OCC[C@H]2CCCCO2)c(O)c1O ZINC000754810578 574122624 /nfs/dbraw/zinc/12/26/24/574122624.db2.gz YXZRFUHMMYQYIN-LLVKDONJSA-N 0 0 280.320 2.522 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756570766 574123173 /nfs/dbraw/zinc/12/31/73/574123173.db2.gz BGQUVXULOJAIKB-ZEGGKSINSA-N 0 0 271.307 2.625 20 10 CFCDRN CC[C@H](O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756733510 574128805 /nfs/dbraw/zinc/12/88/05/574128805.db2.gz QOKCBWZIADTEKB-KOLCDFICSA-N 0 0 273.323 2.872 20 10 CFCDRN CN(Cc1ccccc1F)C(=O)C1=CC(=O)CS1 ZINC000731871166 574131346 /nfs/dbraw/zinc/13/13/46/574131346.db2.gz YMPBAJXFIDSXHV-UHFFFAOYSA-N 0 0 265.309 2.865 20 10 CFCDRN C[C@H](COc1cccc(F)c1)NC(=O)C1=CC(=O)CS1 ZINC000731870550 574131424 /nfs/dbraw/zinc/13/14/24/574131424.db2.gz PSAIPZDRUIICDM-SECBINFHSA-N 0 0 295.335 2.790 20 10 CFCDRN C[C@H]1CCCC[C@@H]1OCCNC(=O)C1=CC(=O)CS1 ZINC000731870224 574131445 /nfs/dbraw/zinc/13/14/45/574131445.db2.gz VNIFANXQKKWLDC-JQWIXIFHSA-N 0 0 283.393 2.779 20 10 CFCDRN CC(C)(C)c1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000731871859 574131449 /nfs/dbraw/zinc/13/14/49/574131449.db2.gz STQPUTKRUXUDOT-UHFFFAOYSA-N 0 0 277.349 2.794 20 10 CFCDRN Cc1cc(C)cc(OCCNC(=O)C2=CC(=O)CS2)c1 ZINC000731870327 574131475 /nfs/dbraw/zinc/13/14/75/574131475.db2.gz MSOFQOJYSDMSCF-UHFFFAOYSA-N 0 0 291.372 2.879 20 10 CFCDRN CCCc1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867734 574132043 /nfs/dbraw/zinc/13/20/43/574132043.db2.gz RQXSHPBBHXPQCH-UHFFFAOYSA-N 0 0 269.351 2.510 20 10 CFCDRN CC(C)Cc1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867592 574132218 /nfs/dbraw/zinc/13/22/18/574132218.db2.gz NJXYSBSCJQBIPY-UHFFFAOYSA-N 0 0 283.378 2.756 20 10 CFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccccc1 ZINC000731911248 574133605 /nfs/dbraw/zinc/13/36/05/574133605.db2.gz HTWVCLDJEPQDFJ-VIFPVBQESA-N 0 0 291.328 2.638 20 10 CFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccccc1 ZINC000731911247 574133677 /nfs/dbraw/zinc/13/36/77/574133677.db2.gz HTWVCLDJEPQDFJ-SECBINFHSA-N 0 0 291.328 2.638 20 10 CFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccccc1 ZINC000731912187 574133766 /nfs/dbraw/zinc/13/37/66/574133766.db2.gz PZIDZRRPBMUQJP-VIFPVBQESA-N 0 0 276.313 2.882 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)on2)c1 ZINC000728938326 574140116 /nfs/dbraw/zinc/14/01/16/574140116.db2.gz JQWBXMFLGLTDMM-VIFPVBQESA-N 0 0 291.307 2.580 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000732007982 574140172 /nfs/dbraw/zinc/14/01/72/574140172.db2.gz CDUFRDVMATYHLX-VURMDHGXSA-N 0 0 281.359 2.721 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)COC2CCCC2)c1 ZINC000728982744 574143220 /nfs/dbraw/zinc/14/32/20/574143220.db2.gz QDOLEMAVWYVXCB-NSHDSACASA-N 0 0 293.363 2.537 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2(CC)COC2)cc1 ZINC000755192339 574145366 /nfs/dbraw/zinc/14/53/66/574145366.db2.gz BXYRVWFXMBWWLW-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN CC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732265881 574147783 /nfs/dbraw/zinc/14/77/83/574147783.db2.gz KIWUXVKFQFSJJN-UHFFFAOYSA-N 0 0 261.302 2.909 20 10 CFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc([N+](=O)[O-])c1 ZINC000732273876 574148824 /nfs/dbraw/zinc/14/88/24/574148824.db2.gz FEUICBUNRHFBPX-QMMMGPOBSA-N 0 0 292.316 2.853 20 10 CFCDRN C[C@H](Cc1ccccc1F)NC(=O)C1=CC(=O)CS1 ZINC000732276848 574149078 /nfs/dbraw/zinc/14/90/78/574149078.db2.gz TZPNCDPJVMJBFB-SECBINFHSA-N 0 0 279.336 2.954 20 10 CFCDRN CCCOc1ncccc1CNC(=O)C1=CC(=O)CS1 ZINC000732277928 574149322 /nfs/dbraw/zinc/14/93/22/574149322.db2.gz VYNKOMJGCGPGMW-UHFFFAOYSA-N 0 0 292.360 2.568 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1ccccn1 ZINC000732276282 574149406 /nfs/dbraw/zinc/14/94/06/574149406.db2.gz POZVXFOOZXZLME-LBPRGKRZSA-N 0 0 274.345 2.826 20 10 CFCDRN C[C@@H](Cc1ccccc1F)NC(=O)C1=CC(=O)CS1 ZINC000732276849 574149657 /nfs/dbraw/zinc/14/96/57/574149657.db2.gz TZPNCDPJVMJBFB-VIFPVBQESA-N 0 0 279.336 2.954 20 10 CFCDRN C[C@@H]1C[C@H]1c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732280522 574150218 /nfs/dbraw/zinc/15/02/18/574150218.db2.gz KDVPLZAPJYANOP-HTRCEHHLSA-N 0 0 263.322 2.553 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000732352935 574152615 /nfs/dbraw/zinc/15/26/15/574152615.db2.gz AIFJKVSPWVPJDJ-UHFFFAOYSA-N 0 0 298.266 2.772 20 10 CFCDRN O=C(COC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC000732352782 574152747 /nfs/dbraw/zinc/15/27/47/574152747.db2.gz GTGWHJRPAYWOGA-UHFFFAOYSA-N 0 0 298.266 2.772 20 10 CFCDRN CN(C)c1ccc(CNc2nccs2)cc1F ZINC000746721968 574164652 /nfs/dbraw/zinc/16/46/52/574164652.db2.gz RFMFQNYFPVLGQH-UHFFFAOYSA-N 0 0 251.330 2.960 20 10 CFCDRN CC(C)CO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746805323 574166981 /nfs/dbraw/zinc/16/69/81/574166981.db2.gz RMIXERUXDDUYTO-LBPRGKRZSA-N 0 0 296.386 2.569 20 10 CFCDRN COCc1cccc(COC(=O)C2=CC(=O)CS2)c1 ZINC000747053052 574177167 /nfs/dbraw/zinc/17/71/67/574177167.db2.gz CLEGJBMTXPQKSO-UHFFFAOYSA-N 0 0 278.329 2.957 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC2CC(C)C2)c1 ZINC000753023043 574184184 /nfs/dbraw/zinc/18/41/84/574184184.db2.gz RSMMFPBVICDGTP-YVNMAJEFSA-N 0 0 278.352 2.560 20 10 CFCDRN CCS[C@@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000755831641 574191378 /nfs/dbraw/zinc/19/13/78/574191378.db2.gz HTBOHMWLQSZEOS-VHSXEESVSA-N 0 0 271.407 2.858 20 10 CFCDRN CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCC1 ZINC000738989448 574192583 /nfs/dbraw/zinc/19/25/83/574192583.db2.gz CZAGBKIJWNXGKZ-UHFFFAOYSA-N 0 0 293.386 2.976 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2O)c1 ZINC000729279117 574195879 /nfs/dbraw/zinc/19/58/79/574195879.db2.gz ZMYRSGJCAKQSLA-JTQLQIEISA-N 0 0 287.315 2.597 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CC23CCCC3)c1O ZINC000747517465 574199467 /nfs/dbraw/zinc/19/94/67/574199467.db2.gz CKKZXLXJXCCEDL-GFCCVEGCSA-N 0 0 275.348 2.597 20 10 CFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cocn1 ZINC000729346419 574201983 /nfs/dbraw/zinc/20/19/83/574201983.db2.gz UZHOCCWJXJAHTH-UHFFFAOYSA-N 0 0 285.347 2.595 20 10 CFCDRN CCCCOC(=O)CN(CC)c1ccc(OC)c(OC)c1 ZINC000747682249 574206595 /nfs/dbraw/zinc/20/65/95/574206595.db2.gz WZVRHTPBWXDYGX-UHFFFAOYSA-N 0 0 295.379 2.873 20 10 CFCDRN CCOC[C@@H](O)CN(CC(C)C)c1ccc(OC)cc1 ZINC000747681604 574206632 /nfs/dbraw/zinc/20/66/32/574206632.db2.gz CMRHCUPDKQWTNZ-HNNXBMFYSA-N 0 0 281.396 2.555 20 10 CFCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)ncn1 ZINC000733188761 574209520 /nfs/dbraw/zinc/20/95/20/574209520.db2.gz LZSAMYIYKJESAI-UHFFFAOYSA-N 0 0 274.343 2.856 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)s1 ZINC000729521868 574221872 /nfs/dbraw/zinc/22/18/72/574221872.db2.gz GIBXQNJAKODIGG-UHFFFAOYSA-N 0 0 288.372 2.998 20 10 CFCDRN CCC[C@@H](C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756384299 574231568 /nfs/dbraw/zinc/23/15/68/574231568.db2.gz AGLXTKZCHZYXCK-IUODEOHRSA-N 0 0 291.391 2.991 20 10 CFCDRN CCC[C@@H](C)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000756384298 574231924 /nfs/dbraw/zinc/23/19/24/574231924.db2.gz AGLXTKZCHZYXCK-DOMZBBRYSA-N 0 0 291.391 2.991 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000756434216 574237300 /nfs/dbraw/zinc/23/73/00/574237300.db2.gz UTCDPQZMVUIRAW-YGRLFVJLSA-N 0 0 266.360 2.522 20 10 CFCDRN C[C@@H]([NH2+]CCOC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756490568 574241353 /nfs/dbraw/zinc/24/13/53/574241353.db2.gz PVYLCXZXTWCWGE-LLVKDONJSA-N 0 0 294.351 2.910 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498609 574241614 /nfs/dbraw/zinc/24/16/14/574241614.db2.gz YCACUFVAFRFJTF-SECBINFHSA-N 0 0 273.323 2.872 20 10 CFCDRN CC(C)CCSCC(=O)NCc1ccccc1O ZINC000748345932 574247876 /nfs/dbraw/zinc/24/78/76/574247876.db2.gz HFWNWGCEQDVLPD-UHFFFAOYSA-N 0 0 267.394 2.788 20 10 CFCDRN Cc1ccc(OCC(=O)NCc2ccccc2O)c(C)c1 ZINC000748354270 574249016 /nfs/dbraw/zinc/24/90/16/574249016.db2.gz IATBRNVQDYANKG-UHFFFAOYSA-N 0 0 285.343 2.704 20 10 CFCDRN CCN(CCn1cc(C)cn1)c1ccc(OC)cc1 ZINC000730084022 574251437 /nfs/dbraw/zinc/25/14/37/574251437.db2.gz BBNLGKYMIAPNIC-UHFFFAOYSA-N 0 0 259.353 2.727 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cnn(C)c1 ZINC000756603374 574251706 /nfs/dbraw/zinc/25/17/06/574251706.db2.gz BIMAQZHNPHUQGG-IUCAKERBSA-N 0 0 281.306 2.816 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756611913 574252074 /nfs/dbraw/zinc/25/20/74/574252074.db2.gz KFQWBZZOSWJGJB-NHCYSSNCSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756627405 574253602 /nfs/dbraw/zinc/25/36/02/574253602.db2.gz IEVVIVPRIWOXNA-GHMZBOCLSA-N 0 0 284.350 2.663 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCS2)c1 ZINC000756650655 574256026 /nfs/dbraw/zinc/25/60/26/574256026.db2.gz OAZFUKMRZHRHBN-JQWIXIFHSA-N 0 0 295.404 2.725 20 10 CFCDRN C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756660647 574256215 /nfs/dbraw/zinc/25/62/15/574256215.db2.gz OCIQNOGZSRMEQA-RNFRBKRXSA-N 0 0 291.178 2.614 20 10 CFCDRN Cc1ccoc1C(=O)NCCCSc1nccs1 ZINC000733880280 574260256 /nfs/dbraw/zinc/26/02/56/574260256.db2.gz DPAJGKMYBLZYMV-UHFFFAOYSA-N 0 0 282.390 2.957 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756769829 574261583 /nfs/dbraw/zinc/26/15/83/574261583.db2.gz QYIGRVWMXMBECZ-ISVAXAHUSA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccc(O)c(CNC(=S)Nc2ccccc2)c1 ZINC000733906070 574261663 /nfs/dbraw/zinc/26/16/63/574261663.db2.gz HISDEXVPEUIQLM-UHFFFAOYSA-N 0 0 288.372 2.887 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756771530 574261777 /nfs/dbraw/zinc/26/17/77/574261777.db2.gz YDAFKSSQDYGNGF-FBIMIBRVSA-N 0 0 271.307 2.625 20 10 CFCDRN Cc1c(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC000756776567 574261836 /nfs/dbraw/zinc/26/18/36/574261836.db2.gz QCNQTYVWBQLEQK-MRVPVSSYSA-N 0 0 281.306 2.563 20 10 CFCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000740680162 574262093 /nfs/dbraw/zinc/26/20/93/574262093.db2.gz MDZMPZUWHWMGOB-OLZOCXBDSA-N 0 0 275.396 2.693 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)OCC(F)(F)F ZINC000734517050 574289720 /nfs/dbraw/zinc/28/97/20/574289720.db2.gz HIAMVKZWZIYCHS-UHFFFAOYSA-N 0 0 290.285 2.850 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccccc1O)c1cccnc1 ZINC000734547554 574293292 /nfs/dbraw/zinc/29/32/92/574293292.db2.gz JPTFQHLLMYRLIH-LBPRGKRZSA-N 0 0 270.332 2.597 20 10 CFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000734547217 574293331 /nfs/dbraw/zinc/29/33/31/574293331.db2.gz LBLFKOMHEDKWNF-CYBMUJFWSA-N 0 0 284.359 2.939 20 10 CFCDRN CCN(Cc1cnc(C)cn1)c1ccc(OC)cc1 ZINC000749441301 574295220 /nfs/dbraw/zinc/29/52/20/574295220.db2.gz BSNWRRMMQJKODB-UHFFFAOYSA-N 0 0 257.337 2.820 20 10 CFCDRN CCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000749531384 574299519 /nfs/dbraw/zinc/29/95/19/574299519.db2.gz SFIAQNDSHCPENP-SNVBAGLBSA-N 0 0 263.337 2.768 20 10 CFCDRN CCCOC(=O)[C@@H](C)N(CC)c1ccc(OC)cc1 ZINC000741780535 574302751 /nfs/dbraw/zinc/30/27/51/574302751.db2.gz ILHMCRSBHSKNJW-GFCCVEGCSA-N 0 0 265.353 2.863 20 10 CFCDRN CC(C)NC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741873291 574308219 /nfs/dbraw/zinc/30/82/19/574308219.db2.gz DLPYSDOFZPRGEH-UHFFFAOYSA-N 0 0 278.421 2.644 20 10 CFCDRN Cc1ccncc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000742040225 574314244 /nfs/dbraw/zinc/31/42/44/574314244.db2.gz FNKWGJKNNSBBAB-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN Oc1ccc2ccncc2c1CN1CCC[C@H]1c1ncon1 ZINC000750020997 574321219 /nfs/dbraw/zinc/32/12/19/574321219.db2.gz ZHGSROXSHNIYRJ-AWEZNQCLSA-N 0 0 296.330 2.661 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ncccn1 ZINC000742245447 574321545 /nfs/dbraw/zinc/32/15/45/574321545.db2.gz IOGHAFOKKZCZGH-UHFFFAOYSA-N 0 0 298.390 2.593 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C)CCC2)c1 ZINC000750235647 574331031 /nfs/dbraw/zinc/33/10/31/574331031.db2.gz JWQDVILWGJWYRQ-JTQLQIEISA-N 0 0 263.337 2.768 20 10 CFCDRN Cn1c2ccccc2nc(CSc2nccs2)c1=O ZINC000750537817 574347132 /nfs/dbraw/zinc/34/71/32/574347132.db2.gz VAHJKECGHOLBLJ-UHFFFAOYSA-N 0 0 289.385 2.682 20 10 CFCDRN C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000742951947 574348341 /nfs/dbraw/zinc/34/83/41/574348341.db2.gz CBZFLRBIWYIPKF-LBPRGKRZSA-N 0 0 288.391 2.914 20 10 CFCDRN C[C@@H](C(=O)NCc1ccccc1O)c1cccc(F)c1 ZINC000743326726 574358225 /nfs/dbraw/zinc/35/82/25/574358225.db2.gz HUOZMDIDTGLGEX-LLVKDONJSA-N 0 0 273.307 2.951 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C(F)(F)F)c1 ZINC000743337576 574358630 /nfs/dbraw/zinc/35/86/30/574358630.db2.gz WWBIUKKQMIEYLR-YUMQZZPRSA-N 0 0 291.269 2.776 20 10 CFCDRN Cc1ccncc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743715712 574371267 /nfs/dbraw/zinc/37/12/67/574371267.db2.gz CQUALHMIBULADE-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN COc1ccc(N2CCN(C(=O)C(C)=C(C)C)CC2)cc1 ZINC000751297220 574373874 /nfs/dbraw/zinc/37/38/74/574373874.db2.gz JUFLDPMYIQMBBP-UHFFFAOYSA-N 0 0 288.391 2.700 20 10 CFCDRN Cc1ccc(CNC(=O)c2ccc(C)c(O)c2O)s1 ZINC000751532962 574378604 /nfs/dbraw/zinc/37/86/04/574378604.db2.gz IMPRCLGXNMXOPP-UHFFFAOYSA-N 0 0 277.345 2.706 20 10 CFCDRN CN1CCCc2cc(CNC(=O)NCC3(C)CC3)ccc21 ZINC000752020418 574386766 /nfs/dbraw/zinc/38/67/66/574386766.db2.gz QATHDHAVGJWEAM-UHFFFAOYSA-N 0 0 287.407 2.668 20 10 CFCDRN Cn1cc(/C=C\C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000752480254 574391743 /nfs/dbraw/zinc/39/17/43/574391743.db2.gz ROKQYIGUIFRBMO-KTKRTIGZSA-N 0 0 281.359 2.877 20 10 CFCDRN Fc1ccc(NC(=S)NCc2ncccc2F)cc1 ZINC000752766532 574394988 /nfs/dbraw/zinc/39/49/88/574394988.db2.gz OALJHPJHWANWHP-UHFFFAOYSA-N 0 0 279.315 2.846 20 10 CFCDRN Cc1ccc(C(=O)N(C)C[C@@H]2CC=CCC2)c(O)c1O ZINC000753105830 574398634 /nfs/dbraw/zinc/39/86/34/574398634.db2.gz MBSFEGODTWCKBC-GFCCVEGCSA-N 0 0 275.348 2.835 20 10 CFCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC(C)(C)C1 ZINC000753487548 574403099 /nfs/dbraw/zinc/40/30/99/574403099.db2.gz AKTGOKJMUXYZFQ-SECBINFHSA-N 0 0 253.367 2.962 20 10 CFCDRN C[C@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2c(O)cccc21 ZINC000935429008 649907018 /nfs/dbraw/zinc/90/70/18/649907018.db2.gz QCCGXBLBZZCZRM-SYTKJHMZSA-N 0 0 297.358 2.679 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)CCF)C2CC2)cc1 ZINC000900124765 620639642 /nfs/dbraw/zinc/63/96/42/620639642.db2.gz OFJBWBAITATXHK-UHFFFAOYSA-N 0 0 264.344 2.603 20 10 CFCDRN Cc1cccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1O ZINC000821112245 598194300 /nfs/dbraw/zinc/19/43/00/598194300.db2.gz MBXVLWOVFIHWTB-UHFFFAOYSA-N 0 0 271.316 2.689 20 10 CFCDRN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1O ZINC000828664496 601432860 /nfs/dbraw/zinc/43/28/60/601432860.db2.gz AVJJSPHXKHACEU-ZDUSSCGKSA-N 0 0 271.744 2.779 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000251175197 604679560 /nfs/dbraw/zinc/67/95/60/604679560.db2.gz SQHLLKXTWZNWOJ-CFVMTHIKSA-N 0 0 289.375 2.918 20 10 CFCDRN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000833827836 605682820 /nfs/dbraw/zinc/68/28/20/605682820.db2.gz BCEGMNXVRYNVFQ-UWVGGRQHSA-N 0 0 298.770 2.524 20 10 CFCDRN CC(C)(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000833426030 605751142 /nfs/dbraw/zinc/75/11/42/605751142.db2.gz MINKFAISBVFHMD-NSHDSACASA-N 0 0 271.744 2.635 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CC)CC1 ZINC000935947760 649964599 /nfs/dbraw/zinc/96/45/99/649964599.db2.gz FIOZNMOQNNICOO-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN Cc1cc(O)c(CNc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826271770 608871714 /nfs/dbraw/zinc/87/17/14/608871714.db2.gz GRHILHFTAQNTEW-UHFFFAOYSA-N 0 0 295.346 2.801 20 10 CFCDRN O=C(CCC(F)F)NCc1cccc(Cl)c1O ZINC000890759513 617837032 /nfs/dbraw/zinc/83/70/32/617837032.db2.gz LZQQPGFWMCFCKR-UHFFFAOYSA-N 0 0 263.671 2.707 20 10 CFCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1cccc(Cl)c1O ZINC000890759826 617837459 /nfs/dbraw/zinc/83/74/59/617837459.db2.gz RNMKYGUWOOEIIN-NOZJJQNGSA-N 0 0 285.771 2.723 20 10 CFCDRN CCCc1nc(C(=O)NCc2cccc(Cl)c2O)co1 ZINC000890759046 617837478 /nfs/dbraw/zinc/83/74/78/617837478.db2.gz ARRVZTMRPFGIBC-UHFFFAOYSA-N 0 0 294.738 2.916 20 10 CFCDRN O=C(NC/C=C/Cl)NCc1ccc(N2CCCC2)cc1 ZINC000892005330 617910245 /nfs/dbraw/zinc/91/02/45/617910245.db2.gz SXESMCORAUWYHQ-FPYGCLRLSA-N 0 0 293.798 2.839 20 10 CFCDRN CC(C)(C)CN(C(=O)/C=C/c1cnccn1)c1ccccn1 ZINC000891500691 617638243 /nfs/dbraw/zinc/63/82/43/617638243.db2.gz TTWDYJCJEKHEIE-BQYQJAHWSA-N 0 0 296.374 2.964 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000287294468 617716036 /nfs/dbraw/zinc/71/60/36/617716036.db2.gz CDMFWOZZLQXXLV-AVGNSLFASA-N 0 0 269.772 3.000 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccccc2O)s1 ZINC000901125357 620753725 /nfs/dbraw/zinc/75/37/25/620753725.db2.gz VYEZOXLMGCADBB-UHFFFAOYSA-N 0 0 275.373 2.929 20 10 CFCDRN CCC1(C(=O)NCc2cccc(OC)c2O)CCC1 ZINC000176130942 617850555 /nfs/dbraw/zinc/85/05/55/617850555.db2.gz YVKSVBICWGGTQX-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN CC1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804739780 617859273 /nfs/dbraw/zinc/85/92/73/617859273.db2.gz SOOKBTAHAVZYBC-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN c1csc(Sc2nnc(NC3CC3)s2)n1 ZINC000308846348 617905357 /nfs/dbraw/zinc/90/53/57/617905357.db2.gz MKEBZGYAKQCGND-UHFFFAOYSA-N 0 0 256.381 2.720 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(O)c1O ZINC000177658372 618003470 /nfs/dbraw/zinc/00/34/70/618003470.db2.gz OFTKQNAGDCBWJO-NSHDSACASA-N 0 0 271.316 2.897 20 10 CFCDRN Oc1ccc(Cl)cc1C[NH2+]Cc1nccs1 ZINC000041011930 618003855 /nfs/dbraw/zinc/00/38/55/618003855.db2.gz DVXGCMZBNUBROZ-UHFFFAOYSA-N 0 0 254.742 2.792 20 10 CFCDRN Cc1ccc(C(=O)NCCc2cccc(F)c2)c(O)c1O ZINC000177663575 618011057 /nfs/dbraw/zinc/01/10/57/618011057.db2.gz HOHGRODCHJWVNP-UHFFFAOYSA-N 0 0 289.306 2.518 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000161191492 618015425 /nfs/dbraw/zinc/01/54/25/618015425.db2.gz OWIGXLGKRMBISL-SECBINFHSA-N 0 0 267.325 2.987 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(F)cc1F ZINC000082285232 618015413 /nfs/dbraw/zinc/01/54/13/618015413.db2.gz SDDLSKDHRGAWBB-UHFFFAOYSA-N 0 0 263.243 2.600 20 10 CFCDRN COc1ccc(N(C)CCOC[C@H]2CCCO2)cc1Cl ZINC000121913224 618100585 /nfs/dbraw/zinc/10/05/85/618100585.db2.gz HQRRDJOBWGNWOL-CYBMUJFWSA-N 0 0 299.798 2.980 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2)c(O)c1O ZINC000146210414 618122396 /nfs/dbraw/zinc/12/23/96/618122396.db2.gz AVNBPSGNZHGWMX-UHFFFAOYSA-N 0 0 271.316 2.678 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC2CCCCC2)cc1 ZINC000841611177 618153123 /nfs/dbraw/zinc/15/31/23/618153123.db2.gz ONKFDUKQOIJSQT-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN CCOc1ccccc1NC[C@@H](O)CC(F)(F)F ZINC000307937010 618160440 /nfs/dbraw/zinc/16/04/40/618160440.db2.gz HEQKWRGEDKTBBH-VIFPVBQESA-N 0 0 263.259 2.811 20 10 CFCDRN CCN(C)c1ccc(CN2CCc3c(ncn3CC)C2)cc1 ZINC000933253460 618176528 /nfs/dbraw/zinc/17/65/28/618176528.db2.gz HDADNTAPVMAXNO-UHFFFAOYSA-N 0 0 298.434 2.917 20 10 CFCDRN Cc1cc(F)ccc1C(=O)NCc1ccccc1O ZINC000157752876 618183278 /nfs/dbraw/zinc/18/32/78/618183278.db2.gz JOLBGHFQQHTMJC-UHFFFAOYSA-N 0 0 259.280 2.770 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C\C(C)(C)C)c1 ZINC000255339345 618205936 /nfs/dbraw/zinc/20/59/36/618205936.db2.gz RPNDDWJYIDYJIL-FPLPWBNLSA-N 0 0 263.337 2.619 20 10 CFCDRN Oc1ccc(Br)cc1CNc1cccnn1 ZINC000310007003 618252092 /nfs/dbraw/zinc/25/20/92/618252092.db2.gz HCPTVUXWQCDWSM-UHFFFAOYSA-N 0 0 280.125 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000893978425 618258413 /nfs/dbraw/zinc/25/84/13/618258413.db2.gz RRMKXABJDFPSKE-AWEZNQCLSA-N 0 0 296.361 2.731 20 10 CFCDRN CC(C)(C)C[N@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000894006850 618266767 /nfs/dbraw/zinc/26/67/67/618266767.db2.gz YBOXGWCMKCYNOB-UHFFFAOYSA-N 0 0 273.323 2.511 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000894027459 618279882 /nfs/dbraw/zinc/27/98/82/618279882.db2.gz NLSUNYQCQBLCAD-UHFFFAOYSA-N 0 0 293.317 2.773 20 10 CFCDRN Cc1ncc(COC(=O)c2ccc(C)c(O)c2O)s1 ZINC000727004643 618288197 /nfs/dbraw/zinc/28/81/97/618288197.db2.gz OVGSITQADQAZJU-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c(O)c1 ZINC000895151481 618393656 /nfs/dbraw/zinc/39/36/56/618393656.db2.gz JSXPTMMOSQFKSD-CQSZACIVSA-N 0 0 279.380 2.528 20 10 CFCDRN Nc1ccc(CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC000927768444 618422175 /nfs/dbraw/zinc/42/21/75/618422175.db2.gz QUIOIXZGMWGATH-GOSISDBHSA-N 0 0 296.370 2.591 20 10 CFCDRN CCOc1ccc(CNc2cn(C)nc2CC)c(O)c1 ZINC000776255800 618428848 /nfs/dbraw/zinc/42/88/48/618428848.db2.gz IIPVEUZANFCOQI-UHFFFAOYSA-N 0 0 275.352 2.699 20 10 CFCDRN CCN1C(=O)/C(=C\c2cccnc2Cl)SC1=S ZINC000726363487 618468546 /nfs/dbraw/zinc/46/85/46/618468546.db2.gz XFWIPMTVYDTJJL-SOFGYWHQSA-N 0 0 284.793 2.956 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(F)c(C)c2)c(O)c1O ZINC000177665379 618469454 /nfs/dbraw/zinc/46/94/54/618469454.db2.gz JYFATYQMQCMCLK-UHFFFAOYSA-N 0 0 289.306 2.784 20 10 CFCDRN C[C@]1(CNC(=O)Nc2ccc(N)cc2)CCO[C@H]1C1CC1 ZINC000841295558 618559968 /nfs/dbraw/zinc/55/99/68/618559968.db2.gz BHTWCXFDTFEFHF-GOEBONIOSA-N 0 0 289.379 2.596 20 10 CFCDRN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1O ZINC000841296237 618569831 /nfs/dbraw/zinc/56/98/31/618569831.db2.gz RIQXQTYZQRETIZ-KGLIPLIRSA-N 0 0 291.395 2.530 20 10 CFCDRN CC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895431474 618579634 /nfs/dbraw/zinc/57/96/34/618579634.db2.gz OKZXZNVCURHCIB-SSDOTTSWSA-N 0 0 265.334 2.841 20 10 CFCDRN c1csc(SCCCNc2nccn3ccnc23)n1 ZINC000892515496 618604797 /nfs/dbraw/zinc/60/47/97/618604797.db2.gz TXPKYHUIUQUDST-UHFFFAOYSA-N 0 0 291.405 2.780 20 10 CFCDRN Cc1cnnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000892564399 618634993 /nfs/dbraw/zinc/63/49/93/618634993.db2.gz UBJMPOKCVIKVSG-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2nc(C3CC3)no2)c1 ZINC000182363467 625290134 /nfs/dbraw/zinc/29/01/34/625290134.db2.gz JFFNBPBWVPAECZ-SECBINFHSA-N 0 0 289.335 2.512 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1N ZINC000314021433 618772681 /nfs/dbraw/zinc/77/26/81/618772681.db2.gz IYUOVWKZTKQLAM-UHFFFAOYSA-N 0 0 297.402 2.915 20 10 CFCDRN CC[C@@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840895312 618779464 /nfs/dbraw/zinc/77/94/64/618779464.db2.gz JTSOGCMBXOYMQS-CYBMUJFWSA-N 0 0 257.761 2.605 20 10 CFCDRN Cc1cc(CN(C)Cc2cc(Cl)ccc2O)no1 ZINC000092254291 618804079 /nfs/dbraw/zinc/80/40/79/618804079.db2.gz RKSSEYQXYNESFD-UHFFFAOYSA-N 0 0 266.728 2.974 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nccs1 ZINC000893113077 618836690 /nfs/dbraw/zinc/83/66/90/618836690.db2.gz UYRQZQWTMHBACX-MRVPVSSYSA-N 0 0 250.323 2.597 20 10 CFCDRN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000070333359 625301335 /nfs/dbraw/zinc/30/13/35/625301335.db2.gz MSKORWYHGVQQOZ-UHFFFAOYSA-N 0 0 295.335 2.949 20 10 CFCDRN CSc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182521810 618897823 /nfs/dbraw/zinc/89/78/23/618897823.db2.gz VSDMSSFBNYWRFD-UHFFFAOYSA-N 0 0 289.356 2.750 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3c2cccc3F)c(O)c1O ZINC000184306094 618913740 /nfs/dbraw/zinc/91/37/40/618913740.db2.gz BHFPBXSZDKTVMQ-UHFFFAOYSA-N 0 0 287.290 2.748 20 10 CFCDRN CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000311332960 618935351 /nfs/dbraw/zinc/93/53/51/618935351.db2.gz DRAUTPXOXKJDFA-WDEREUQCSA-N 0 0 263.337 2.749 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)C2CCCC2)c(O)c1O ZINC000182447276 625304821 /nfs/dbraw/zinc/30/48/21/625304821.db2.gz WZBWAHSQNCMZQS-SNVBAGLBSA-N 0 0 263.337 2.715 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC1(C2CC2)CCC1 ZINC000925712271 618966510 /nfs/dbraw/zinc/96/65/10/618966510.db2.gz XNIJOBDDSCCUNC-CLTKARDFSA-N 0 0 273.332 2.560 20 10 CFCDRN CCOc1cccc(CN2CC(F)(F)C(F)(F)C2)c1O ZINC000313318569 618979655 /nfs/dbraw/zinc/97/96/55/618979655.db2.gz NHUABRBKDIBDMI-UHFFFAOYSA-N 0 0 293.260 2.877 20 10 CFCDRN CCOc1cccc(CN2CCC(F)(F)C2)c1O ZINC000313313279 618979675 /nfs/dbraw/zinc/97/96/75/618979675.db2.gz IUZXCXKCZCPXMJ-UHFFFAOYSA-N 0 0 257.280 2.632 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2nnc(C(C)C)o2)c1 ZINC000182434082 625308096 /nfs/dbraw/zinc/30/80/96/625308096.db2.gz FVCQSGFXQQHMLT-JTQLQIEISA-N 0 0 291.351 2.758 20 10 CFCDRN Cc1cc(CN(C)c2ccc3c(c2)OCO3)cnc1F ZINC000893463495 619006780 /nfs/dbraw/zinc/00/67/80/619006780.db2.gz XRVHTFBTBBBSTQ-UHFFFAOYSA-N 0 0 274.295 2.894 20 10 CFCDRN Cc1cc(C)[nH]c(=NNC(=S)Nc2ccccc2F)n1 ZINC000007556696 619098837 /nfs/dbraw/zinc/09/88/37/619098837.db2.gz HLSQKGYFHNOZSP-UHFFFAOYSA-N 0 0 291.355 2.546 20 10 CFCDRN Cc1ccccc1CCC(=O)NCc1ccc(O)c(O)c1 ZINC000182517759 625322000 /nfs/dbraw/zinc/32/20/00/625322000.db2.gz GFBOOEAGBFXXRF-UHFFFAOYSA-N 0 0 285.343 2.655 20 10 CFCDRN COC(=O)[C@H](CC1CC1)NCc1cc(Cl)cc(C)c1O ZINC000840959620 619155268 /nfs/dbraw/zinc/15/52/68/619155268.db2.gz YZLRFFGXNNVVES-ZDUSSCGKSA-N 0 0 297.782 2.785 20 10 CFCDRN CCc1ccsc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182524246 625324994 /nfs/dbraw/zinc/32/49/94/625324994.db2.gz DNWSJROEDXRJBR-UHFFFAOYSA-N 0 0 277.345 2.652 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CNOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925870634 619192426 /nfs/dbraw/zinc/19/24/26/619192426.db2.gz ZEJAOCYEYUBEKN-XVKPBYJWSA-N 0 0 291.178 2.643 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000893871158 619232677 /nfs/dbraw/zinc/23/26/77/619232677.db2.gz GYERSOWZYHPOQX-UHFFFAOYSA-N 0 0 293.313 2.665 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCSC1 ZINC000893928705 619245822 /nfs/dbraw/zinc/24/58/22/619245822.db2.gz DRHJOXLYCSGWPG-JTQLQIEISA-N 0 0 259.321 2.608 20 10 CFCDRN Cc1ocnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000726529556 619250596 /nfs/dbraw/zinc/25/05/96/619250596.db2.gz ZWEBLXPSXOFYQU-UHFFFAOYSA-N 0 0 299.374 2.903 20 10 CFCDRN COc1ccc(N2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000726562631 619252358 /nfs/dbraw/zinc/25/23/58/619252358.db2.gz QXHZOIRVMQMQTA-UHFFFAOYSA-N 0 0 288.391 2.580 20 10 CFCDRN CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC000832431123 625331932 /nfs/dbraw/zinc/33/19/32/625331932.db2.gz KMNLEMYVLNYKBE-MLGOLLRUSA-N 0 0 290.407 2.745 20 10 CFCDRN CC[C@H](OC1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000236995850 619277686 /nfs/dbraw/zinc/27/76/86/619277686.db2.gz FLHAQXURXDXMJV-INIZCTEOSA-N 0 0 290.407 2.665 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC=CO1 ZINC000894330434 619336175 /nfs/dbraw/zinc/33/61/75/619336175.db2.gz ZYDSSDFRTCISLR-NSHDSACASA-N 0 0 296.754 2.538 20 10 CFCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)nc1 ZINC000894342635 619341824 /nfs/dbraw/zinc/34/18/24/619341824.db2.gz PEZCDMMLELGCAN-UHFFFAOYSA-N 0 0 274.320 2.725 20 10 CFCDRN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000894421955 619382612 /nfs/dbraw/zinc/38/26/12/619382612.db2.gz YQNGMFHVHSOSNL-IINYFYTJSA-N 0 0 285.334 2.653 20 10 CFCDRN CC[C@@H](CSC)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894497196 619400762 /nfs/dbraw/zinc/40/07/62/619400762.db2.gz VMAPZIIQNJURTQ-LBPRGKRZSA-N 0 0 299.436 2.983 20 10 CFCDRN C[C@@H]1CSCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894560560 619416427 /nfs/dbraw/zinc/41/64/27/619416427.db2.gz ZQBZUEPOMVHQPN-VIFPVBQESA-N 0 0 273.348 2.855 20 10 CFCDRN Cc1ncoc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000894571452 619421453 /nfs/dbraw/zinc/42/14/53/619421453.db2.gz RHBOPXCWLPOLLP-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN COc1cc(C)cc(CN2C[C@H](O)Cc3ccccc32)c1O ZINC000894593928 619427632 /nfs/dbraw/zinc/42/76/32/619427632.db2.gz ZWMNOFAUXNTUEE-OAHLLOKOSA-N 0 0 299.370 2.633 20 10 CFCDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894747283 619454731 /nfs/dbraw/zinc/45/47/31/619454731.db2.gz FZNURYPDTFLKQG-SMDDNHRTSA-N 0 0 296.361 2.729 20 10 CFCDRN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894747278 619454843 /nfs/dbraw/zinc/45/48/43/619454843.db2.gz FZNURYPDTFLKQG-BXUZGUMPSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1cc(O)c(CN[C@H](CCO)C(F)(F)F)cc1Cl ZINC000894849950 619483065 /nfs/dbraw/zinc/48/30/65/619483065.db2.gz GIUNAUDPEWYKJN-LLVKDONJSA-N 0 0 297.704 2.757 20 10 CFCDRN COc1cc(C)cc(CN2C[C@H](CO)c3ccccc32)c1O ZINC000894857301 619485279 /nfs/dbraw/zinc/48/52/79/619485279.db2.gz BZMLHIVEFCDIMF-CQSZACIVSA-N 0 0 299.370 2.805 20 10 CFCDRN CCOc1ccc(CN2CC(C(F)(F)F)C2)c(O)c1 ZINC000894892240 619500740 /nfs/dbraw/zinc/50/07/40/619500740.db2.gz NBRJSPNFQDTTNF-UHFFFAOYSA-N 0 0 275.270 2.785 20 10 CFCDRN O=C(NC1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895479502 619539231 /nfs/dbraw/zinc/53/92/31/619539231.db2.gz VXWGBFJHJQOGTP-UHFFFAOYSA-N 0 0 277.345 2.985 20 10 CFCDRN Nc1ccc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000841299676 619544964 /nfs/dbraw/zinc/54/49/64/619544964.db2.gz MHAKLNAHYAEJNG-ZDUSSCGKSA-N 0 0 289.379 2.549 20 10 CFCDRN Cn1cc(CN2Cc3cccc(O)c3C2)c(C2CC2)n1 ZINC000895783723 619605884 /nfs/dbraw/zinc/60/58/84/619605884.db2.gz BFMCWADVOGAOTQ-UHFFFAOYSA-N 0 0 269.348 2.519 20 10 CFCDRN C[C@]1(Br)C[C@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895786063 619606679 /nfs/dbraw/zinc/60/66/79/619606679.db2.gz WXKRQUKEDFYQSF-GWCFXTLKSA-N 0 0 282.181 2.881 20 10 CFCDRN C[C@@]1(Br)C[C@@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895786074 619606717 /nfs/dbraw/zinc/60/67/17/619606717.db2.gz WXKRQUKEDFYQSF-ZWNOBZJWSA-N 0 0 282.181 2.881 20 10 CFCDRN Oc1cccc(F)c1CNc1ncc2c(n1)CCCC2 ZINC000895833199 619619223 /nfs/dbraw/zinc/61/92/23/619619223.db2.gz WAPZSKBZWKFOPG-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN Oc1cccc(F)c1CNc1nnc(C2CC2)s1 ZINC000895832937 619619387 /nfs/dbraw/zinc/61/93/87/619619387.db2.gz QYFBCUNWRICILH-UHFFFAOYSA-N 0 0 265.313 2.872 20 10 CFCDRN Cc1cc(CCNC(=O)C2=CC(=O)CS2)cc(C)c1O ZINC000788016083 619649967 /nfs/dbraw/zinc/64/99/67/619649967.db2.gz GMVCGEWAYOJYSW-UHFFFAOYSA-N 0 0 291.372 2.749 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1Cl ZINC000896377331 619725916 /nfs/dbraw/zinc/72/59/16/619725916.db2.gz HSSUFPGWQQNBNK-NSHDSACASA-N 0 0 297.782 2.549 20 10 CFCDRN Cc1nc(C)c(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896642433 619777452 /nfs/dbraw/zinc/77/74/52/619777452.db2.gz WJVJKJNIWDTEGR-UHFFFAOYSA-N 0 0 266.341 2.894 20 10 CFCDRN CC[C@@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896636216 619779495 /nfs/dbraw/zinc/77/94/95/619779495.db2.gz AOEZAGPMZPOESJ-NWDGAFQWSA-N 0 0 267.344 2.826 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000896637639 619780484 /nfs/dbraw/zinc/78/04/84/619780484.db2.gz KVNWZBYAOVPWNQ-UFBFGSQYSA-N 0 0 293.260 2.731 20 10 CFCDRN CC(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896638523 619781078 /nfs/dbraw/zinc/78/10/78/619781078.db2.gz VNXJUPBZTBTWMT-XHDPSFHLSA-N 0 0 267.344 2.825 20 10 CFCDRN C[C@@H]1CC2(CC([NH2+]Cc3c([O-])cccc3F)C2)CO1 ZINC000896639599 619781797 /nfs/dbraw/zinc/78/17/97/619781797.db2.gz MGUIZVZAWGRFDL-RWWNRMGGSA-N 0 0 265.328 2.579 20 10 CFCDRN Oc1ccc(F)cc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896939522 619900883 /nfs/dbraw/zinc/90/08/83/619900883.db2.gz IQHLVJUODYKCKW-UHFFFAOYSA-N 0 0 287.338 2.621 20 10 CFCDRN CC[C@@H](CSC)N(C)C(=O)Nc1ccc(N)cc1 ZINC000167721094 619931152 /nfs/dbraw/zinc/93/11/52/619931152.db2.gz KVVSABHAUXHSFG-LBPRGKRZSA-N 0 0 267.398 2.874 20 10 CFCDRN CC1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1 ZINC000897215205 619951825 /nfs/dbraw/zinc/95/18/25/619951825.db2.gz NSGARSFSCYANAO-UHFFFAOYSA-N 0 0 277.345 2.985 20 10 CFCDRN CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(N)cc2)s1 ZINC000237315034 619982072 /nfs/dbraw/zinc/98/20/72/619982072.db2.gz RWUKINJKMJCFPV-VIFPVBQESA-N 0 0 291.376 2.993 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000928705364 619995528 /nfs/dbraw/zinc/99/55/28/619995528.db2.gz HQXHTGKLJZAFCX-MXWKQRLJSA-N 0 0 263.312 2.584 20 10 CFCDRN O=C(/C=C/C1CCCC1)NCc1c(O)cccc1F ZINC000928706593 619995848 /nfs/dbraw/zinc/99/58/48/619995848.db2.gz RIHSJPYDUMODIF-CMDGGOBGSA-N 0 0 263.312 2.894 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC12CCSCC2 ZINC000928706301 619995887 /nfs/dbraw/zinc/99/58/87/619995887.db2.gz QMVCUZIODZLZLF-NSHDSACASA-N 0 0 295.379 2.681 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000928706595 619996077 /nfs/dbraw/zinc/99/60/77/619996077.db2.gz RJJKXHVBZSGGDC-GRYCIOLGSA-N 0 0 275.323 2.750 20 10 CFCDRN CC(C)CCO[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712803 619997136 /nfs/dbraw/zinc/99/71/36/619997136.db2.gz ZGHUFPFEQZDEFZ-LLVKDONJSA-N 0 0 283.343 2.599 20 10 CFCDRN CCn1cnc2c1CCN(Cc1cc(C)c(C)cc1O)C2 ZINC000897334631 619998946 /nfs/dbraw/zinc/99/89/46/619998946.db2.gz YJJPWVFCYBFQLP-UHFFFAOYSA-N 0 0 285.391 2.784 20 10 CFCDRN CCCC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996847 620109792 /nfs/dbraw/zinc/10/97/92/620109792.db2.gz GYECDXNZARQQCB-MOEXGYKKSA-N 0 0 290.407 2.999 20 10 CFCDRN Cc1cc(NS(=O)(=O)c2ccccc2C)ccc1O ZINC000148624193 620247720 /nfs/dbraw/zinc/24/77/20/620247720.db2.gz DSXHTDUPPNQKLE-UHFFFAOYSA-N 0 0 277.345 2.810 20 10 CFCDRN Cc1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000148640323 620251992 /nfs/dbraw/zinc/25/19/92/620251992.db2.gz KCOQABJYAAAPNF-UHFFFAOYSA-N 0 0 277.345 2.810 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897960459 620313195 /nfs/dbraw/zinc/31/31/95/620313195.db2.gz UCSLGBIYXXHRPP-YDEJPDAXSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898062841 620330026 /nfs/dbraw/zinc/33/00/26/620330026.db2.gz YEFXKQIQOTWWCN-XHDPSFHLSA-N 0 0 295.329 2.719 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cncs2)c1 ZINC000898179308 620347769 /nfs/dbraw/zinc/34/77/69/620347769.db2.gz JLLZSKJPBJJDRH-SNVBAGLBSA-N 0 0 291.376 2.718 20 10 CFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000898254150 620357865 /nfs/dbraw/zinc/35/78/65/620357865.db2.gz ASWAJAXADRANAI-GBIKHYSHSA-N 0 0 278.327 2.519 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000898286837 620364771 /nfs/dbraw/zinc/36/47/71/620364771.db2.gz MQLYYKVHZDNQDJ-MRVWCRGKSA-N 0 0 274.364 2.722 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@H]21)c1ccccc1O ZINC000898257218 620365487 /nfs/dbraw/zinc/36/54/87/620365487.db2.gz PVXRXFRHHKGDHD-OIMNJJJWSA-N 0 0 274.364 2.941 20 10 CFCDRN COC(=O)C1(CCCC[NH2+]Cc2ccccc2O)CCC1 ZINC000898413286 620459970 /nfs/dbraw/zinc/45/99/70/620459970.db2.gz SKBFEHJMJBMBJC-UHFFFAOYSA-N 0 0 291.391 2.995 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CC=CC[C@H]2C)c(O)c1 ZINC000898885378 620500348 /nfs/dbraw/zinc/50/03/48/620500348.db2.gz NXXNOPPVUCOSPT-BXUZGUMPSA-N 0 0 290.363 2.555 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1O ZINC000899182289 620528435 /nfs/dbraw/zinc/52/84/35/620528435.db2.gz WGMPKGYRGPLVST-QWHCGFSZSA-N 0 0 289.375 2.919 20 10 CFCDRN O=[N+]([O-])CCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000899232772 620534213 /nfs/dbraw/zinc/53/42/13/620534213.db2.gz UVLYGROPNMSKRV-UHFFFAOYSA-N 0 0 284.743 2.986 20 10 CFCDRN CCc1onc(C)c1/C=C1/SC(=S)N(CC)C1=O ZINC000899331809 620546385 /nfs/dbraw/zinc/54/63/85/620546385.db2.gz CBDIXJNDSMENPP-UXBLZVDNSA-N 0 0 282.390 2.767 20 10 CFCDRN CCN1C(=O)/C(=C/c2cnc(F)c(C)c2)SC1=S ZINC000899332508 620546430 /nfs/dbraw/zinc/54/64/30/620546430.db2.gz IEJJEPHMEPVBHW-UITAMQMPSA-N 0 0 282.365 2.750 20 10 CFCDRN CCn1cnc(/C=C2/c3cc(C)ccc3N(C)C2=O)c1 ZINC000899377847 620555760 /nfs/dbraw/zinc/55/57/60/620555760.db2.gz HRGZXZPWCGPYKN-ZSOIEALJSA-N 0 0 267.332 2.728 20 10 CFCDRN Cc1ccc2c(c1)/C(=C\c1cnn(CCF)c1)C(=O)N2C ZINC000901511566 620840628 /nfs/dbraw/zinc/84/06/28/620840628.db2.gz XYNPKEADSYYBKF-RIYZIHGNSA-N 0 0 285.322 2.678 20 10 CFCDRN CCCSC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841796577 620941530 /nfs/dbraw/zinc/94/15/30/620941530.db2.gz QWEYRIRIONQXKF-CYBMUJFWSA-N 0 0 297.420 2.690 20 10 CFCDRN Cc1nccc(NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000902127446 620984354 /nfs/dbraw/zinc/98/43/54/620984354.db2.gz RZHMVCYQDQTZHX-UHFFFAOYSA-N 0 0 278.306 2.741 20 10 CFCDRN CCc1ncc(NCc2ccc(N(C)C)cc2)cn1 ZINC000902205442 620997913 /nfs/dbraw/zinc/99/79/13/620997913.db2.gz ZYRGDWPZLVQDMY-UHFFFAOYSA-N 0 0 256.353 2.717 20 10 CFCDRN C[C@@H](NCc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488081 621112778 /nfs/dbraw/zinc/11/27/78/621112778.db2.gz JNKYFTQNDZXQIV-SNVBAGLBSA-N 0 0 276.409 2.642 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1[O-] ZINC000903209842 621289002 /nfs/dbraw/zinc/28/90/02/621289002.db2.gz GDDOPWFWKPCZDF-MNOVXSKESA-N 0 0 296.798 2.565 20 10 CFCDRN C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(F)cc1[O-] ZINC000903257851 621301820 /nfs/dbraw/zinc/30/18/20/621301820.db2.gz MDMZXNOAPCCMNS-NSHDSACASA-N 0 0 279.355 2.877 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903323654 621324378 /nfs/dbraw/zinc/32/43/78/621324378.db2.gz CEWZQEBMNLBJGR-MEDUHNTESA-N 0 0 299.374 2.993 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1c([O-])cccc1F ZINC000903391439 621350168 /nfs/dbraw/zinc/35/01/68/621350168.db2.gz YKOFTNBUYDSQQM-FZMZJTMJSA-N 0 0 295.354 2.520 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(F)cc1[O-] ZINC000903391293 621350234 /nfs/dbraw/zinc/35/02/34/621350234.db2.gz XGPDAYDAMGEOMI-XHDPSFHLSA-N 0 0 295.354 2.520 20 10 CFCDRN Nc1ccc(Cc2noc(C[C@@H]3C[C@H]3C3CC3)n2)cc1 ZINC000904076560 621517251 /nfs/dbraw/zinc/51/72/51/621517251.db2.gz FAZHGZVTUREFSQ-JSGCOSHPSA-N 0 0 269.348 2.831 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429261 621594841 /nfs/dbraw/zinc/59/48/41/621594841.db2.gz BFPHYXYDBPABDX-OAHLLOKOSA-N 0 0 298.789 2.903 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NC1CCCCC1 ZINC000905149502 621711328 /nfs/dbraw/zinc/71/13/28/621711328.db2.gz UPNBXQFUUOFZBD-UHFFFAOYSA-N 0 0 266.316 2.663 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)CCC1(O)CCC1 ZINC000905301314 621745535 /nfs/dbraw/zinc/74/55/35/621745535.db2.gz OAGCTCKRJDIEFK-CQSZACIVSA-N 0 0 293.407 2.943 20 10 CFCDRN O[C@H](CNc1ccccc1OCCF)CC1(O)CCCC1 ZINC000905340705 621750999 /nfs/dbraw/zinc/75/09/99/621750999.db2.gz WFQNJAIMFUPWJM-ZDUSSCGKSA-N 0 0 297.370 2.503 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N(CC(C)(C)C)c2ccccn2)c1 ZINC000905929732 621902922 /nfs/dbraw/zinc/90/29/22/621902922.db2.gz SCQPWVVVXJMGDT-CMDGGOBGSA-N 0 0 298.390 2.908 20 10 CFCDRN C[C@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000906112031 621932061 /nfs/dbraw/zinc/93/20/61/621932061.db2.gz SNBRXZHQCZBLBZ-SYTKJHMZSA-N 0 0 299.349 2.798 20 10 CFCDRN CC(C)(C)C1CC(NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000832871001 625535376 /nfs/dbraw/zinc/53/53/76/625535376.db2.gz TXYAPZCFKJJIDC-UHFFFAOYSA-N 0 0 281.327 2.791 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](O)CC ZINC000908044790 622190506 /nfs/dbraw/zinc/19/05/06/622190506.db2.gz GKCKLJGWQFDGGF-HIFRSBDPSA-N 0 0 293.407 2.928 20 10 CFCDRN CCc1ccccc1[C@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841087186 622288231 /nfs/dbraw/zinc/28/82/31/622288231.db2.gz PFGZZSOWBPELFJ-MRXNPFEDSA-N 0 0 288.366 2.883 20 10 CFCDRN CONC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000043937281 622431403 /nfs/dbraw/zinc/43/14/03/622431403.db2.gz SFWZWDIVYYUCTN-UHFFFAOYSA-N 0 0 258.321 2.694 20 10 CFCDRN CC[C@H](COCC(F)(F)F)NC(=O)C1=CC(=O)CS1 ZINC000833434150 625566905 /nfs/dbraw/zinc/56/69/05/625566905.db2.gz NKBJSRONYKDPGO-SSDOTTSWSA-N 0 0 297.298 2.541 20 10 CFCDRN CC(=O)CCCCCCC(=O)NCc1ccc(O)cc1O ZINC000910949383 622488738 /nfs/dbraw/zinc/48/87/38/622488738.db2.gz KZSNUIIDSXVOEF-UHFFFAOYSA-N 0 0 293.363 2.644 20 10 CFCDRN CC(C)c1nc(C(=O)NCc2ccc(O)cc2O)cs1 ZINC000910954145 622489234 /nfs/dbraw/zinc/48/92/34/622489234.db2.gz HUZYWSZUVFASPJ-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000910951227 622489314 /nfs/dbraw/zinc/48/93/14/622489314.db2.gz PMJFIPQVTYYDFZ-CABCVRRESA-N 0 0 289.375 2.930 20 10 CFCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(O)cc1O ZINC000910957063 622489776 /nfs/dbraw/zinc/48/97/76/622489776.db2.gz OPUDRNCZNNUFQH-BLLLJJGKSA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(Cc1cccc(C2CC2)c1)NCc1ccc(O)cc1O ZINC000910945417 622491910 /nfs/dbraw/zinc/49/19/10/622491910.db2.gz VNSNTMNENWIGLH-UHFFFAOYSA-N 0 0 297.354 2.834 20 10 CFCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910946793 622492415 /nfs/dbraw/zinc/49/24/15/622492415.db2.gz VBDICDIPOKTPLZ-HNNXBMFYSA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@@H](CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000841815802 622515008 /nfs/dbraw/zinc/51/50/08/622515008.db2.gz LAGZDFJJBOAEMJ-NSHDSACASA-N 0 0 277.364 2.601 20 10 CFCDRN CC[C@@](O)(CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000840397864 622556926 /nfs/dbraw/zinc/55/69/26/622556926.db2.gz CGXJTNIOFMMQKN-GOSISDBHSA-N 0 0 299.370 2.696 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCCCC2CC2)cc1 ZINC000820115582 622612757 /nfs/dbraw/zinc/61/27/57/622612757.db2.gz IXDCZWCWJGFTBG-UHFFFAOYSA-N 0 0 274.324 2.769 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000912400648 622705312 /nfs/dbraw/zinc/70/53/12/622705312.db2.gz AWXVNBRQIAKENA-NSHDSACASA-N 0 0 293.386 2.880 20 10 CFCDRN CCOc1ccc(N(C)CCn2c(C)csc2=O)cc1 ZINC000150730706 622717195 /nfs/dbraw/zinc/71/71/95/622717195.db2.gz DRHNZXNYWGCHJJ-UHFFFAOYSA-N 0 0 292.404 2.753 20 10 CFCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1ccccc1C ZINC000912445142 622717515 /nfs/dbraw/zinc/71/75/15/622717515.db2.gz GQWGGPYNLDJVJB-UHFFFAOYSA-N 0 0 287.359 2.942 20 10 CFCDRN CC[C@H](C)CCNC(=O)NCc1cccc(OC)c1O ZINC000820873107 622778652 /nfs/dbraw/zinc/77/86/52/622778652.db2.gz KXHYVBNPHPNGJL-NSHDSACASA-N 0 0 280.368 2.636 20 10 CFCDRN CCC1(NC(=O)c2ccc(C)c(O)c2O)CCCC1 ZINC000834304358 625595971 /nfs/dbraw/zinc/59/59/71/625595971.db2.gz SAEKEVGGPUXHJJ-UHFFFAOYSA-N 0 0 263.337 2.859 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC2(C)C)c1 ZINC000840409422 622850640 /nfs/dbraw/zinc/85/06/40/622850640.db2.gz JNLXPBFNKWCSIV-RNCFNFMXSA-N 0 0 278.352 2.560 20 10 CFCDRN Cc1nc(C)c(C(=O)NCCCSc2nccs2)o1 ZINC000074675998 622919851 /nfs/dbraw/zinc/91/98/51/622919851.db2.gz UMWKVMMGPPAUJU-UHFFFAOYSA-N 0 0 297.405 2.660 20 10 CFCDRN C[C@]1(CNC(=O)Nc2ccc(N)cc2)CCCS1 ZINC000157009993 622984773 /nfs/dbraw/zinc/98/47/73/622984773.db2.gz RZNOCSMHIXYTSD-CYBMUJFWSA-N 0 0 265.382 2.676 20 10 CFCDRN CCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000057661925 623007791 /nfs/dbraw/zinc/00/77/91/623007791.db2.gz INNRBYMCTSTKEI-UHFFFAOYSA-N 0 0 287.407 2.763 20 10 CFCDRN COCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000157217052 623013618 /nfs/dbraw/zinc/01/36/18/623013618.db2.gz JEFMXYMAUJINKL-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCCC(=O)C2CC2)cc1 ZINC000822226631 623060375 /nfs/dbraw/zinc/06/03/75/623060375.db2.gz AVLRYMYRWQRSFF-UHFFFAOYSA-N 0 0 288.391 2.518 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccco2)c1 ZINC000157813302 623061822 /nfs/dbraw/zinc/06/18/22/623061822.db2.gz IEZFXVTUSRFGFH-IOCXFXADSA-N 0 0 287.315 2.884 20 10 CFCDRN CC/C=C(/C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000157824116 623071084 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CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](O)C(F)F ZINC000824644982 623538745 /nfs/dbraw/zinc/53/87/45/623538745.db2.gz VROSRSIQGRTBII-KWQFWETISA-N 0 0 297.704 2.679 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1F ZINC000824669343 623542897 /nfs/dbraw/zinc/54/28/97/623542897.db2.gz JIDAJMKHORPATB-GFCCVEGCSA-N 0 0 278.371 2.944 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1F ZINC000824669074 623543135 /nfs/dbraw/zinc/54/31/35/623543135.db2.gz DJIPHVFSUIDPKF-UHFFFAOYSA-N 0 0 276.355 2.698 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690424 623545790 /nfs/dbraw/zinc/54/57/90/623545790.db2.gz FSRZGWBCAJECQB-UHFFFAOYSA-N 0 0 291.725 2.793 20 10 CFCDRN CN(C[C@H]1CC1(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000824774366 623562505 /nfs/dbraw/zinc/56/25/05/623562505.db2.gz WMAHBQUTRKXCJG-LLVKDONJSA-N 0 0 288.351 2.967 20 10 CFCDRN COC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824788164 623565790 /nfs/dbraw/zinc/56/57/90/623565790.db2.gz AUDMCUNKSQJUJT-LLVKDONJSA-N 0 0 269.772 2.822 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C[C@H](CC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000827957764 624139632 /nfs/dbraw/zinc/13/96/32/624139632.db2.gz YPLIEXXGQSHORT-LALPHHSUSA-N 0 0 277.364 2.775 20 10 CFCDRN CO[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827964413 624141243 /nfs/dbraw/zinc/14/12/43/624141243.db2.gz NFCMWFFMRIGYEO-RWMBFGLXSA-N 0 0 277.364 2.775 20 10 CFCDRN Cc1cnc(C(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000827968826 624141386 /nfs/dbraw/zinc/14/13/86/624141386.db2.gz AAMUQXNBAZBBTC-LBPRGKRZSA-N 0 0 270.332 2.895 20 10 CFCDRN CCc1c(C(=O)N[C@@H](C)c2ccccc2O)ccn1C ZINC000827964799 624141441 /nfs/dbraw/zinc/14/14/41/624141441.db2.gz VTMSSQQFWPSQLN-NSHDSACASA-N 0 0 272.348 2.784 20 10 CFCDRN CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964831 624141698 /nfs/dbraw/zinc/14/16/98/624141698.db2.gz XGTFWUKFLUAKGW-COPLHBTASA-N 0 0 265.353 2.631 20 10 CFCDRN COCCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827970121 624142427 /nfs/dbraw/zinc/14/24/27/624142427.db2.gz WVCIQQDQIJKBAY-RYUDHWBXSA-N 0 0 265.353 2.632 20 10 CFCDRN CCc1nnc(C)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969894 624142544 /nfs/dbraw/zinc/14/25/44/624142544.db2.gz UQDWZPSHTDOLJD-NSHDSACASA-N 0 0 285.347 2.544 20 10 CFCDRN CCc1ncsc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973512 624144081 /nfs/dbraw/zinc/14/40/81/624144081.db2.gz SHOTYNVFFWZLMQ-VIFPVBQESA-N 0 0 276.361 2.902 20 10 CFCDRN Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC000827973506 624144190 /nfs/dbraw/zinc/14/41/90/624144190.db2.gz RWQNIVJVPIIPMT-NSHDSACASA-N 0 0 259.305 2.714 20 10 CFCDRN CC(C)n1nccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973618 624144238 /nfs/dbraw/zinc/14/42/38/624144238.db2.gz VCNQSXPAGSKSSD-NSHDSACASA-N 0 0 273.336 2.661 20 10 CFCDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1C ZINC000827973064 624144278 /nfs/dbraw/zinc/14/42/78/624144278.db2.gz HNDQWZDILNLRML-NSHDSACASA-N 0 0 287.363 2.740 20 10 CFCDRN C[C@H](NC(=O)COCCc1ccccc1)c1ccccc1O ZINC000827978478 624144989 /nfs/dbraw/zinc/14/49/89/624144989.db2.gz VCGLFTFLWXQRSG-AWEZNQCLSA-N 0 0 299.370 2.829 20 10 CFCDRN CCc1nc(CC(=O)N[C@@H](C)c2ccccc2O)cs1 ZINC000827978668 624145122 /nfs/dbraw/zinc/14/51/22/624145122.db2.gz ZYITYPPASYYVPA-JTQLQIEISA-N 0 0 290.388 2.831 20 10 CFCDRN CCc1noc(C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827982217 624145949 /nfs/dbraw/zinc/14/59/49/624145949.db2.gz OINJWCQBJGHPNW-VIFPVBQESA-N 0 0 274.320 2.742 20 10 CFCDRN O=C(C[C@H]1CC=CCC1)N1Cc2cccc(O)c2C1 ZINC000828325541 624228440 /nfs/dbraw/zinc/22/84/40/624228440.db2.gz AMKSVRGXGFLKOG-LBPRGKRZSA-N 0 0 257.333 2.981 20 10 CFCDRN CC(C)[C@@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000828327565 624229198 /nfs/dbraw/zinc/22/91/98/624229198.db2.gz PSWUJESLOFCNBK-WBMJQRKESA-N 0 0 289.375 2.686 20 10 CFCDRN C[C@H](NC(=O)[C@]12CCO[C@H]1CCCC2)c1ccccc1O ZINC000828538896 624265243 /nfs/dbraw/zinc/26/52/43/624265243.db2.gz DGQGTYKLWPCRTR-YLQAJVPDSA-N 0 0 289.375 2.919 20 10 CFCDRN CN(C)c1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000917010926 624299865 /nfs/dbraw/zinc/29/98/65/624299865.db2.gz SNPVVJVIDBBCCX-UHFFFAOYSA-N 0 0 272.308 2.668 20 10 CFCDRN CCC[C@@H](OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828861457 624315809 /nfs/dbraw/zinc/31/58/09/624315809.db2.gz PQBJJVPSMWDOCS-SWLSCSKDSA-N 0 0 278.396 2.745 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CC(F)(F)C1 ZINC000828884911 624321587 /nfs/dbraw/zinc/32/15/87/624321587.db2.gz OLQLQPJGQRZLMP-SECBINFHSA-N 0 0 299.317 2.580 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CSC(F)(F)F ZINC000917311202 624331360 /nfs/dbraw/zinc/33/13/60/624331360.db2.gz RUCLFSLYBYYYEU-UHFFFAOYSA-N 0 0 279.283 2.604 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2)c1C ZINC000917830321 624389717 /nfs/dbraw/zinc/38/97/17/624389717.db2.gz UQHCAOUQZREFCQ-HJWRWDBZSA-N 0 0 269.348 2.713 20 10 CFCDRN CCN(C(=O)/C=C/c1cnccn1)c1ccc(C)cc1 ZINC000918152180 624423174 /nfs/dbraw/zinc/42/31/74/624423174.db2.gz HPYXRVICUIVZIE-RMKNXTFCSA-N 0 0 267.332 2.851 20 10 CFCDRN Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000154719146 624436135 /nfs/dbraw/zinc/43/61/35/624436135.db2.gz UZSNASCARGMGOL-HWKANZROSA-N 0 0 298.317 2.968 20 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CFCDRN Cc1cncc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000830465244 624751811 /nfs/dbraw/zinc/75/18/11/624751811.db2.gz QHOPQSKFTGOWIC-AWEZNQCLSA-N 0 0 298.342 2.779 20 10 CFCDRN Cc1cncc([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1 ZINC000830465245 624752107 /nfs/dbraw/zinc/75/21/07/624752107.db2.gz QHOPQSKFTGOWIC-CQSZACIVSA-N 0 0 298.342 2.779 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CC3(CC3)C2)c1 ZINC000830541464 624775706 /nfs/dbraw/zinc/77/57/06/624775706.db2.gz YKOCWIANCYUPSM-SNVBAGLBSA-N 0 0 275.348 2.768 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)SC)c1 ZINC000830541300 624775859 /nfs/dbraw/zinc/77/58/59/624775859.db2.gz WIKKOFYJECXEMS-SECBINFHSA-N 0 0 283.393 2.720 20 10 CFCDRN CC1=CC[C@](C)(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000830559955 624779724 /nfs/dbraw/zinc/77/97/24/624779724.db2.gz XUKQYPJIIMLOLK-INIZCTEOSA-N 0 0 275.348 2.851 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000921424040 624877430 /nfs/dbraw/zinc/87/74/30/624877430.db2.gz BLTSTPOWILATIH-GXFFZTMASA-N 0 0 280.343 2.909 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCOC(C)(C)C ZINC000175026116 624923084 /nfs/dbraw/zinc/92/30/84/624923084.db2.gz OUKLURZHOMOMTQ-UHFFFAOYSA-N 0 0 278.396 2.767 20 10 CFCDRN C[C@H]1CC[C@H](CCC(=O)NCc2ccc(N(C)C)cc2)O1 ZINC000175012647 624924026 /nfs/dbraw/zinc/92/40/26/624924026.db2.gz YLBMASYXXNLDRX-XJKSGUPXSA-N 0 0 290.407 2.717 20 10 CFCDRN CCCCNC(=O)NCCCSc1nccs1 ZINC000175600422 624958235 /nfs/dbraw/zinc/95/82/35/624958235.db2.gz YOMKYAFYMNIHON-UHFFFAOYSA-N 0 0 273.427 2.725 20 10 CFCDRN C[C@@H]1CCC[C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000237600632 624965174 /nfs/dbraw/zinc/96/51/74/624965174.db2.gz UFNNSOSCWKALJL-OCCSQVGLSA-N 0 0 260.381 2.754 20 10 CFCDRN Nc1ccc(NC(=O)CSc2ccc(O)cc2)cc1 ZINC000237856797 624982332 /nfs/dbraw/zinc/98/23/32/624982332.db2.gz AKNIHRIUSDTYPX-UHFFFAOYSA-N 0 0 274.345 2.705 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(C)c(F)c2)c1O ZINC000068488967 625002660 /nfs/dbraw/zinc/00/26/60/625002660.db2.gz VQBCWMRTTYETSS-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN CCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068512489 625004671 /nfs/dbraw/zinc/00/46/71/625004671.db2.gz DJSQHBZOAZOLRE-AWEZNQCLSA-N 0 0 290.407 2.891 20 10 CFCDRN CC(C)n1nccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180605138 625030222 /nfs/dbraw/zinc/03/02/22/625030222.db2.gz NAXJCUZRSGVGSS-GQCTYLIASA-N 0 0 287.319 2.527 20 10 CFCDRN COc1ccc(N(C[C@H](O)COC(C)C)CC2CC2)cc1 ZINC000831582762 625059244 /nfs/dbraw/zinc/05/92/44/625059244.db2.gz GBVCSHKATOOJGY-INIZCTEOSA-N 0 0 293.407 2.698 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc(C)no2)cc1F ZINC000181521414 625165950 /nfs/dbraw/zinc/16/59/50/625165950.db2.gz IPVPNCIKGYSSHJ-UHFFFAOYSA-N 0 0 278.331 2.975 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc21 ZINC000181886688 625228426 /nfs/dbraw/zinc/22/84/26/625228426.db2.gz QVMDTGOAMCKFGI-NNNHXZLVSA-N 0 0 280.327 2.951 20 10 CFCDRN Cc1ccc(C(=O)N(C)CCC(C)C)c(O)c1O ZINC000181909384 625234381 /nfs/dbraw/zinc/23/43/81/625234381.db2.gz HFFKIPJCISKLGR-UHFFFAOYSA-N 0 0 251.326 2.524 20 10 CFCDRN CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000072926528 625740690 /nfs/dbraw/zinc/74/06/90/625740690.db2.gz AHCQXTIDKDGQSI-HIFRSBDPSA-N 0 0 294.351 2.594 20 10 CFCDRN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCS1 ZINC000834662271 625765036 /nfs/dbraw/zinc/76/50/36/625765036.db2.gz ZYNZKDBCGOQVIO-SIIXBRRKSA-N 0 0 293.388 2.511 20 10 CFCDRN CC[C@](C)(C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])OC ZINC000834882558 625908375 /nfs/dbraw/zinc/90/83/75/625908375.db2.gz RPXATEINTANMDP-BDJLRTHQSA-N 0 0 295.379 2.645 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000834898958 625914539 /nfs/dbraw/zinc/91/45/39/625914539.db2.gz CWPXDOJSKGSBOJ-ISTVAULSSA-N 0 0 285.334 2.872 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc(Cl)c1[O-] ZINC000834901677 625915806 /nfs/dbraw/zinc/91/58/06/625915806.db2.gz XVDLQFFDCIEHKU-JOYOIKCWSA-N 0 0 284.787 2.611 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000834906334 625918244 /nfs/dbraw/zinc/91/82/44/625918244.db2.gz DFSDYWCWXYSRDS-OPQQBVKSSA-N 0 0 296.798 2.740 20 10 CFCDRN C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2c1c(F)ccc2O ZINC000834914565 625921280 /nfs/dbraw/zinc/92/12/80/625921280.db2.gz OBUFMYOSWUTKKO-ZDDJMSTPSA-N 0 0 265.328 2.583 20 10 CFCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834914400 625921631 /nfs/dbraw/zinc/92/16/31/625921631.db2.gz UPKGMFHHIOHFFD-PSOPSSQASA-N 0 0 294.351 2.909 20 10 CFCDRN CO[C@@H](C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000851633948 634465979 /nfs/dbraw/zinc/46/59/79/634465979.db2.gz ZGYPUCMTNIWVOW-CQSZACIVSA-N 0 0 262.353 2.803 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)cc1[O-] ZINC000186234203 626019994 /nfs/dbraw/zinc/01/99/94/626019994.db2.gz ACSRRAHFELDVFR-ZYHUDNBSSA-N 0 0 253.317 2.751 20 10 CFCDRN CC(C)[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000851662796 634474576 /nfs/dbraw/zinc/47/45/76/634474576.db2.gz JXWWUTIHGOATEC-OAHLLOKOSA-N 0 0 275.396 2.545 20 10 CFCDRN Cc1cccc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000198206812 626098645 /nfs/dbraw/zinc/09/86/45/626098645.db2.gz XWOPRWSKCHQLLZ-CMDGGOBGSA-N 0 0 281.359 2.721 20 10 CFCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1cccc(C)c1 ZINC000921957268 626185200 /nfs/dbraw/zinc/18/52/00/626185200.db2.gz AWPWRBKYNSJKPH-UHFFFAOYSA-N 0 0 287.359 2.942 20 10 CFCDRN CCOc1ccc(O)c(CN[C@H](c2ncccn2)C2CC2)c1 ZINC000922581279 626316762 /nfs/dbraw/zinc/31/67/62/626316762.db2.gz SRFGBMIRTABIJM-INIZCTEOSA-N 0 0 299.374 2.822 20 10 CFCDRN CN(C)c1ccc(CN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000922582440 626317151 /nfs/dbraw/zinc/31/71/51/626317151.db2.gz MZUYXHJQNNRDML-MRXNPFEDSA-N 0 0 282.391 2.784 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCCO1 ZINC000922818922 626373028 /nfs/dbraw/zinc/37/30/28/626373028.db2.gz URIDUEKJLGFKNQ-AWEZNQCLSA-N 0 0 271.307 2.719 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(F)n2)cc1OC ZINC000851735594 634500889 /nfs/dbraw/zinc/50/08/89/634500889.db2.gz YGZJLIIKLUMPLU-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000922843367 626378184 /nfs/dbraw/zinc/37/81/84/626378184.db2.gz QQKHWEVFJHXPHW-MWLCHTKSSA-N 0 0 282.365 2.674 20 10 CFCDRN COc1ccc(N(C)Cc2coc(C)n2)cc1OC ZINC000851734370 634499400 /nfs/dbraw/zinc/49/94/00/634499400.db2.gz GHOFKVJTPHCHKX-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C[NH2+]1 ZINC000086466906 626397363 /nfs/dbraw/zinc/39/73/63/626397363.db2.gz MZSVDEYOWAPDEF-RKDXNWHRSA-N 0 0 289.206 2.881 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C(C)C)c1 ZINC000172161285 626414595 /nfs/dbraw/zinc/41/45/95/626414595.db2.gz WZAGSOQGLKQPPM-QWRGUYRKSA-N 0 0 265.353 2.870 20 10 CFCDRN O=C(Nc1cccc2[nH]ccc21)c1cccc(O)c1O ZINC000187061839 626441765 /nfs/dbraw/zinc/44/17/65/626441765.db2.gz QIWPFYNCCDGCHO-UHFFFAOYSA-N 0 0 268.272 2.831 20 10 CFCDRN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(O)c1O ZINC000187078653 626449318 /nfs/dbraw/zinc/44/93/18/626449318.db2.gz SOYTZQZBYMDMAD-STQMWFEESA-N 0 0 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627698751 /nfs/dbraw/zinc/69/87/51/627698751.db2.gz PKSBGKXBSNTZSR-GFCCVEGCSA-N 0 0 293.374 2.637 20 10 CFCDRN O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)C1=CC(=O)CS1 ZINC000772540776 627720718 /nfs/dbraw/zinc/72/07/18/627720718.db2.gz HPBNSSFDTSZZNX-NWANDNLSSA-N 0 0 285.368 2.912 20 10 CFCDRN Cc1ncccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772993412 627765457 /nfs/dbraw/zinc/76/54/57/627765457.db2.gz GSSILXBVBHJKGB-LBPRGKRZSA-N 0 0 283.375 2.947 20 10 CFCDRN CS/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772996241 627765903 /nfs/dbraw/zinc/76/59/03/627765903.db2.gz CQBLFPPCBGUOBJ-DWOQACPDSA-N 0 0 264.394 2.807 20 10 CFCDRN Cc1ccncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773008236 627767685 /nfs/dbraw/zinc/76/76/85/627767685.db2.gz LMFBGLDJDZQXMV-ZDUSSCGKSA-N 0 0 283.375 2.947 20 10 CFCDRN C[C@@H](NC(=O)c1cc[nH]c1)c1ccc(N(C)C)cc1 ZINC000773009719 627768146 /nfs/dbraw/zinc/76/81/46/627768146.db2.gz QHNOMXYHPHQEEM-LLVKDONJSA-N 0 0 257.337 2.572 20 10 CFCDRN CCc1ncncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773016732 627769049 /nfs/dbraw/zinc/76/90/49/627769049.db2.gz AXEDNIJHWBIKEO-GFCCVEGCSA-N 0 0 298.390 2.596 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]1 ZINC000773013361 627769251 /nfs/dbraw/zinc/76/92/51/627769251.db2.gz KMGLNILPKHCNHX-GFCCVEGCSA-N 0 0 299.374 2.653 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773018803 627769844 /nfs/dbraw/zinc/76/98/44/627769844.db2.gz XISKZYRGXPFMIP-KNXALSJPSA-N 0 0 272.392 2.976 20 10 CFCDRN CC(=O)c1c[nH]c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773020653 627770224 /nfs/dbraw/zinc/77/02/24/627770224.db2.gz PYOGCICPZIKMJY-NSHDSACASA-N 0 0 299.374 2.774 20 10 CFCDRN C[C@@H](NC(=O)C1CC=CC1)c1ccc(N(C)C)cc1 ZINC000773021618 627770274 /nfs/dbraw/zinc/77/02/74/627770274.db2.gz SJCDXTTUSDUELK-GFCCVEGCSA-N 0 0 258.365 2.896 20 10 CFCDRN CC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773082765 627780448 /nfs/dbraw/zinc/78/04/48/627780448.db2.gz AJFXHHKAYUFBKF-CHWSQXEVSA-N 0 0 298.452 2.779 20 10 CFCDRN COC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773333466 627806816 /nfs/dbraw/zinc/80/68/16/627806816.db2.gz NCTVVQSZYVMBSF-LBPRGKRZSA-N 0 0 293.411 2.538 20 10 CFCDRN C[C@@H](NC(=O)NC1CC(C)C1)c1ccc(N(C)C)cc1 ZINC000773376305 627810797 /nfs/dbraw/zinc/81/07/97/627810797.db2.gz RDJYDFNFEGHBBR-MBHSVXNSSA-N 0 0 275.396 2.911 20 10 CFCDRN CCN(Cc1nnc(C)s1)Cc1ccc(N(C)C)cc1 ZINC000773411150 627816024 /nfs/dbraw/zinc/81/60/24/627816024.db2.gz ZKGKCBROAGQNJQ-UHFFFAOYSA-N 0 0 290.436 2.935 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000773762213 627855935 /nfs/dbraw/zinc/85/59/35/627855935.db2.gz LJHPTLPTPVNIMS-WZRBSPASSA-N 0 0 277.364 2.581 20 10 CFCDRN CCC(C)(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773759961 627856073 /nfs/dbraw/zinc/85/60/73/627856073.db2.gz BZKYHLCRANKCPN-LLVKDONJSA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)C2 ZINC000773766806 627856583 /nfs/dbraw/zinc/85/65/83/627856583.db2.gz PWZFNYFEBKVRJP-DLGFLZQMSA-N 0 0 289.375 2.725 20 10 CFCDRN CC(C)=C(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773764116 627856650 /nfs/dbraw/zinc/85/66/50/627856650.db2.gz XEENQBZZZSKEGW-JTQLQIEISA-N 0 0 263.337 2.501 20 10 CFCDRN CC/C(C)=C(\C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773769405 627857790 /nfs/dbraw/zinc/85/77/90/627857790.db2.gz UCODXEMVCYEQJC-KPMWUXBGSA-N 0 0 277.364 2.891 20 10 CFCDRN Cc1cc(NCc2cccc(C)c2O)cc(OCCO)c1 ZINC000775205915 627999626 /nfs/dbraw/zinc/99/96/26/627999626.db2.gz MARGVYQVCPQDPL-UHFFFAOYSA-N 0 0 287.359 2.992 20 10 CFCDRN CCc1nnc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000775370038 628016142 /nfs/dbraw/zinc/01/61/42/628016142.db2.gz KGBABUBTQDEECD-UWVGGRQHSA-N 0 0 291.351 2.758 20 10 CFCDRN C[C@H](NC(=O)Cc1ccncc1)c1ccc(N(C)C)cc1 ZINC000775402293 628021968 /nfs/dbraw/zinc/02/19/68/628021968.db2.gz CCJNHNWALHQLGC-ZDUSSCGKSA-N 0 0 283.375 2.568 20 10 CFCDRN COCc1cnc(CN(C)Cc2ccccc2O)s1 ZINC000775655229 628050430 /nfs/dbraw/zinc/05/04/30/628050430.db2.gz BRWDTDVNCRJDLP-UHFFFAOYSA-N 0 0 278.377 2.627 20 10 CFCDRN CCn1cc(C[N@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC000775700384 628056589 /nfs/dbraw/zinc/05/65/89/628056589.db2.gz OBHLNBWZQAQURA-UHFFFAOYSA-N 0 0 279.771 2.894 20 10 CFCDRN CC[N@@H+]1C[C@H](C)N(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775713979 628058673 /nfs/dbraw/zinc/05/86/73/628058673.db2.gz XZUWOIZMWKVMOE-RYUDHWBXSA-N 0 0 282.815 2.960 20 10 CFCDRN Cc1cccc(CNc2cccc(-n3ccnn3)c2)c1O ZINC000775750687 628062393 /nfs/dbraw/zinc/06/23/93/628062393.db2.gz SKTYWGTVZFDPBX-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN COc1ncc(/C=C/C(=O)N(C)c2ccc(C)c(C)c2)cn1 ZINC000775805532 628070778 /nfs/dbraw/zinc/07/07/78/628070778.db2.gz DFXPFYXNLYBNRM-SOFGYWHQSA-N 0 0 297.358 2.778 20 10 CFCDRN Cc1nnc(CN[C@H](C)c2ccc(N(C)C)cc2)n1C1CC1 ZINC000775831835 628073168 /nfs/dbraw/zinc/07/31/68/628073168.db2.gz VDJNXBHDAIMUJV-GFCCVEGCSA-N 0 0 299.422 2.838 20 10 CFCDRN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776174446 628111430 /nfs/dbraw/zinc/11/14/30/628111430.db2.gz OOHFGTZMYFQNIB-YGRLFVJLSA-N 0 0 271.788 2.932 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])ncn1 ZINC000776252343 628121719 /nfs/dbraw/zinc/12/17/19/628121719.db2.gz CEXPLHGBBOCRLR-UHFFFAOYSA-N 0 0 281.718 2.573 20 10 CFCDRN CC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776248829 628122219 /nfs/dbraw/zinc/12/22/19/628122219.db2.gz PXQNPOJLQZFVEM-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN Cc1ccccc1COC(=O)c1cccc(O)c1O ZINC000776278851 628126023 /nfs/dbraw/zinc/12/60/23/628126023.db2.gz GPRSNQWUODRTQC-UHFFFAOYSA-N 0 0 258.273 2.763 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC2CCCC2)cc1 ZINC000008170806 634636028 /nfs/dbraw/zinc/63/60/28/634636028.db2.gz UGVYTILIJSTZTB-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC=CO1 ZINC000777852983 628258150 /nfs/dbraw/zinc/25/81/50/628258150.db2.gz KGVLZACHGPPDDU-MRXNPFEDSA-N 0 0 288.391 2.794 20 10 CFCDRN COCCC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000777982768 628270245 /nfs/dbraw/zinc/27/02/45/628270245.db2.gz UVJULIKJBUFEFU-ZDUSSCGKSA-N 0 0 292.423 2.740 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](F)C2)cc1OC ZINC000778000627 628271983 /nfs/dbraw/zinc/27/19/83/628271983.db2.gz QZOXCNIYOQRFJT-NXEZZACHSA-N 0 0 298.314 2.796 20 10 CFCDRN Cc1cccc2c1N[C@H](c1cccc(F)c1O)NC2=O ZINC000778519591 628312183 /nfs/dbraw/zinc/31/21/83/628312183.db2.gz JCKHATCLGOFOCL-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN CCC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778915066 628339809 /nfs/dbraw/zinc/33/98/09/628339809.db2.gz PHANFXHCCQZBKB-UHFFFAOYSA-N 0 0 299.326 2.621 20 10 CFCDRN Cc1cccc([C@@H](C)C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000778916484 628339867 /nfs/dbraw/zinc/33/98/67/628339867.db2.gz ISPAYSLGXDTGMS-GFCCVEGCSA-N 0 0 285.343 2.826 20 10 CFCDRN COC(=O)[C@@H](NCc1ccccc1O)c1ccccc1F ZINC000779178998 628358578 /nfs/dbraw/zinc/35/85/78/628358578.db2.gz SEKSXZGPBVSNJZ-HNNXBMFYSA-N 0 0 289.306 2.535 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1CCO ZINC000779202993 628358829 /nfs/dbraw/zinc/35/88/29/628358829.db2.gz UNWRPSOVMDDGGV-NSHDSACASA-N 0 0 273.735 2.532 20 10 CFCDRN CCOC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000779198731 628359879 /nfs/dbraw/zinc/35/98/79/628359879.db2.gz LQHKETMSWJPKOH-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000779482867 628384762 /nfs/dbraw/zinc/38/47/62/628384762.db2.gz HMEAAJFRVIAHGJ-UEDYQVLESA-N 0 0 295.338 2.783 20 10 CFCDRN Cc1ncsc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779528419 628385431 /nfs/dbraw/zinc/38/54/31/628385431.db2.gz HUTWVLYAGXUMAX-HYXAFXHYSA-N 0 0 276.317 2.515 20 10 CFCDRN CC(=O)c1ccc(NC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC000779488019 628385581 /nfs/dbraw/zinc/38/55/81/628385581.db2.gz AEDOOTGBLUGZQE-OQFOIZHKSA-N 0 0 297.310 2.952 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1C1CC1 ZINC000779511373 628386012 /nfs/dbraw/zinc/38/60/12/628386012.db2.gz IACBOMHTTCDKOE-UKOWJOKBSA-N 0 0 273.332 2.512 20 10 CFCDRN CC[C@]1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779527941 628386567 /nfs/dbraw/zinc/38/65/67/628386567.db2.gz NDWYUUSGTGQNGT-GMNBZTITSA-N 0 0 275.348 2.760 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC2CCC1CC2 ZINC000779534498 628386965 /nfs/dbraw/zinc/38/69/65/628386965.db2.gz GTTFOWHXKRUXQT-RZKINJMJSA-N 0 0 287.359 2.806 20 10 CFCDRN Cc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC000779533974 628386981 /nfs/dbraw/zinc/38/69/81/628386981.db2.gz LLWIIAWNTSMGJU-HYXAFXHYSA-N 0 0 276.317 2.515 20 10 CFCDRN Cc1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 ZINC000779533923 628387106 /nfs/dbraw/zinc/38/71/06/628387106.db2.gz JVEJMZRMUDNDRJ-HWKANZROSA-N 0 0 276.317 2.515 20 10 CFCDRN Cc1cc(C)nc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779538465 628387159 /nfs/dbraw/zinc/38/71/59/628387159.db2.gz ZWBQIOCYUYLFBV-XQRVVYSFSA-N 0 0 284.315 2.762 20 10 CFCDRN Cc1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000779533924 628387187 /nfs/dbraw/zinc/38/71/87/628387187.db2.gz JVEJMZRMUDNDRJ-HYXAFXHYSA-N 0 0 276.317 2.515 20 10 CFCDRN Cc1cccc(O)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779547648 628387511 /nfs/dbraw/zinc/38/75/11/628387511.db2.gz LPPBQRBFGLRSRD-VURMDHGXSA-N 0 0 285.299 2.764 20 10 CFCDRN Cc1ccncc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779548045 628387514 /nfs/dbraw/zinc/38/75/14/628387514.db2.gz PICTVOYHYCQBIK-RNZFLTOJSA-N 0 0 298.342 2.692 20 10 CFCDRN CC[C@@H](CO)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779749677 628399797 /nfs/dbraw/zinc/39/97/97/628399797.db2.gz LHKCNYQWLHVBRF-HNNXBMFYSA-N 0 0 292.423 2.508 20 10 CFCDRN CN(Cc1ccc2c(c1)ncn2C)c1ccc2c(c1)OCO2 ZINC000780774988 628496361 /nfs/dbraw/zinc/49/63/61/628496361.db2.gz QBDUQPWBKCUMRQ-UHFFFAOYSA-N 0 0 295.342 2.938 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(O)c1O ZINC000780857085 628500162 /nfs/dbraw/zinc/50/01/62/628500162.db2.gz UXSZLEBSHFAIJF-GFCCVEGCSA-N 0 0 285.343 2.940 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c2n[nH]cc21 ZINC000780916937 628504849 /nfs/dbraw/zinc/50/48/49/628504849.db2.gz BZHPKZBIHZCACT-UHFFFAOYSA-N 0 0 297.314 2.843 20 10 CFCDRN CC[C@@H](C)CN(CC)C(=O)c1ccc(C)c(O)c1O ZINC000780957962 628508468 /nfs/dbraw/zinc/50/84/68/628508468.db2.gz BOIUWXNJZSQRLY-SNVBAGLBSA-N 0 0 265.353 2.914 20 10 CFCDRN Cc1ccc(C(=O)NCC2(CC(C)C)CC2)c(O)c1O ZINC000780966239 628509104 /nfs/dbraw/zinc/50/91/04/628509104.db2.gz CEJHISVMYZKFOP-UHFFFAOYSA-N 0 0 277.364 2.962 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C(C)C)C2)c(O)c1O ZINC000780971547 628509616 /nfs/dbraw/zinc/50/96/16/628509616.db2.gz WOTZIGGNRGIPGR-LLVKDONJSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)c(O)c1O ZINC000781013544 628512743 /nfs/dbraw/zinc/51/27/43/628512743.db2.gz CRRVRVKDYJEENI-JTQLQIEISA-N 0 0 263.337 2.715 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000782013119 628597036 /nfs/dbraw/zinc/59/70/36/628597036.db2.gz GBSAYLDQMWXEIR-LLVKDONJSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C2CC2)ns1 ZINC000782042373 628599040 /nfs/dbraw/zinc/59/90/40/628599040.db2.gz OIMZWNHBPBDSSH-MRVPVSSYSA-N 0 0 291.376 2.870 20 10 CFCDRN COCc1cc(NCc2ccc(N(C)C)cc2C)ncn1 ZINC000782142772 628607410 /nfs/dbraw/zinc/60/74/10/628607410.db2.gz QXYYPJWBUOYTFH-UHFFFAOYSA-N 0 0 286.379 2.610 20 10 CFCDRN CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Cl)ccc1O ZINC000783297205 628698300 /nfs/dbraw/zinc/69/83/00/628698300.db2.gz GCDXENDRXLLPIV-JOYOIKCWSA-N 0 0 294.786 2.976 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783302114 628699289 /nfs/dbraw/zinc/69/92/89/628699289.db2.gz BSIYQFMYZVQOKU-CMPLNLGQSA-N 0 0 278.308 2.644 20 10 CFCDRN COc1c(N[C@@H](C)c2ccccc2O)cccc1C(N)=O ZINC000783533358 628717997 /nfs/dbraw/zinc/71/79/97/628717997.db2.gz PDBYTMFTQLHGJJ-JTQLQIEISA-N 0 0 286.331 2.673 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](F)C(C)C ZINC000784107235 628776894 /nfs/dbraw/zinc/77/68/94/628776894.db2.gz CGCFLGMSDOTIEA-AWEZNQCLSA-N 0 0 266.360 2.671 20 10 CFCDRN O=C(COC(=O)C(F)=C1CCCC1)c1ccc(O)c(O)c1 ZINC000784150949 628784253 /nfs/dbraw/zinc/78/42/53/628784253.db2.gz APGDZOKTJSADRT-UHFFFAOYSA-N 0 0 294.278 2.621 20 10 CFCDRN CS[C@@H](CNC(=O)NCc1ccccc1O)C(C)(C)C ZINC000784476451 628819507 /nfs/dbraw/zinc/81/95/07/628819507.db2.gz NKBOBHZPKNNORU-ZDUSSCGKSA-N 0 0 296.436 2.969 20 10 CFCDRN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1c(F)ccc(O)c1O ZINC000839807781 628869218 /nfs/dbraw/zinc/86/92/18/628869218.db2.gz UCNZRWJLZZFXTP-MNOVXSKESA-N 0 0 293.338 2.793 20 10 CFCDRN O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1c(F)ccc(O)c1O ZINC000839807780 628869411 /nfs/dbraw/zinc/86/94/11/628869411.db2.gz UCNZRWJLZZFXTP-GHMZBOCLSA-N 0 0 293.338 2.793 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CC2(F)F)cc1 ZINC000852209477 634690116 /nfs/dbraw/zinc/69/01/16/634690116.db2.gz PMJNSLALYUQJNP-GFCCVEGCSA-N 0 0 257.280 2.556 20 10 CFCDRN NC(=O)N1CCCc2ccc(NCc3ccccc3O)cc21 ZINC000785562489 628893884 /nfs/dbraw/zinc/89/38/84/628893884.db2.gz NJMVURLWWCRKCL-UHFFFAOYSA-N 0 0 297.358 2.836 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1C=CCC1)c1ccc(N(C)C)cc1 ZINC000852260928 634703541 /nfs/dbraw/zinc/70/35/41/634703541.db2.gz GRRWOAONHKDIBF-OCCSQVGLSA-N 0 0 273.380 2.831 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ncc(C(F)(F)F)s1 ZINC000788343250 629060139 /nfs/dbraw/zinc/06/01/39/629060139.db2.gz FRWZUOBRWQPWEA-IWQZZHSRSA-N 0 0 296.320 2.651 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000852261054 634704674 /nfs/dbraw/zinc/70/46/74/634704674.db2.gz JMQQDTHXAZTPIG-QEJZJMRPSA-N 0 0 287.407 2.865 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C)cc1 ZINC000788542918 629080939 /nfs/dbraw/zinc/08/09/39/629080939.db2.gz MCEMSOWPMVAQST-WMLDXEAASA-N 0 0 298.386 2.689 20 10 CFCDRN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788561096 629082011 /nfs/dbraw/zinc/08/20/11/629082011.db2.gz DYLKSEMODUHAHB-SECBINFHSA-N 0 0 299.296 2.995 20 10 CFCDRN C[C@H](NCC(F)(F)CO)c1cccc(C(F)(F)F)c1O ZINC000788749388 629096759 /nfs/dbraw/zinc/09/67/59/629096759.db2.gz FEYYCACPHJVGTN-ZETCQYMHSA-N 0 0 299.239 2.689 20 10 CFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000789038609 629120110 /nfs/dbraw/zinc/12/01/10/629120110.db2.gz PQPNSBXFCAYMBH-UHFFFAOYSA-N 0 0 285.391 2.614 20 10 CFCDRN CON(Cc1cc2c(cc1O)OCO2)CC(C)(C)C ZINC000789531992 629164178 /nfs/dbraw/zinc/16/41/78/629164178.db2.gz UCUQFCQQSYOFAP-UHFFFAOYSA-N 0 0 267.325 2.530 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](O)Cc3ccccc32)c1 ZINC000789761317 629186186 /nfs/dbraw/zinc/18/61/86/629186186.db2.gz FMDXMTZDAUUTPQ-OAHLLOKOSA-N 0 0 269.344 2.624 20 10 CFCDRN CCOc1cccc(CN2C[C@H](O)Cc3ccccc32)c1O ZINC000789761539 629186379 /nfs/dbraw/zinc/18/63/79/629186379.db2.gz IVGZHUCMTOVBPV-OAHLLOKOSA-N 0 0 299.370 2.715 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000789896493 629195196 /nfs/dbraw/zinc/19/51/96/629195196.db2.gz QNUCXGPSZNFKJS-UHFFFAOYSA-N 0 0 295.386 2.920 20 10 CFCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccccc1 ZINC000789943434 629199244 /nfs/dbraw/zinc/19/92/44/629199244.db2.gz YWCVIXPTVYUHRR-SECBINFHSA-N 0 0 275.279 2.728 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)[C@@H](C)O ZINC000789989142 629202017 /nfs/dbraw/zinc/20/20/17/629202017.db2.gz KOEFKYZTQOYHCZ-TZMCWYRMSA-N 0 0 279.380 2.538 20 10 CFCDRN CC(=O)c1cc(C(=O)NCc2ccccc2O)ccc1C ZINC000789995408 629202803 /nfs/dbraw/zinc/20/28/03/629202803.db2.gz INHJPCGTQCFXOK-UHFFFAOYSA-N 0 0 283.327 2.833 20 10 CFCDRN CN(CCc1ccccc1F)C(=O)c1cccc(O)c1O ZINC000790676940 629256937 /nfs/dbraw/zinc/25/69/37/629256937.db2.gz HBUSPYSKELUSPH-UHFFFAOYSA-N 0 0 289.306 2.552 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2(OC)CCC2)c1 ZINC000790787854 629262320 /nfs/dbraw/zinc/26/23/20/629262320.db2.gz PFBOTYGZIIUFNG-NSHDSACASA-N 0 0 293.363 2.537 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000790785320 629262409 /nfs/dbraw/zinc/26/24/09/629262409.db2.gz LMBVCKVFXUPTPG-YOEHRIQHSA-N 0 0 283.327 2.558 20 10 CFCDRN Cc1cccc(CC2CN(C(=O)c3cccc(O)c3O)C2)c1 ZINC000790873837 629269574 /nfs/dbraw/zinc/26/95/74/629269574.db2.gz OMJGIHUKMRVGMY-UHFFFAOYSA-N 0 0 297.354 2.721 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)CC(C)(C)C1 ZINC000790926886 629271716 /nfs/dbraw/zinc/27/17/16/629271716.db2.gz AHDQFJRFXJRZEB-SNVBAGLBSA-N 0 0 263.337 2.606 20 10 CFCDRN Cc1c(CN(C)Cc2c(O)cccc2Cl)cnn1C ZINC000790936385 629272316 /nfs/dbraw/zinc/27/23/16/629272316.db2.gz GKTRENLBCHBCMO-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN CCC[C@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958791 629274215 /nfs/dbraw/zinc/27/42/15/629274215.db2.gz NVFJJQSNEBEFSW-ZDUSSCGKSA-N 0 0 275.751 2.825 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOc1cccnc1 ZINC000790963946 629274803 /nfs/dbraw/zinc/27/48/03/629274803.db2.gz DMJDDJKXEOJWPT-UHFFFAOYSA-N 0 0 296.729 2.748 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000790989064 629277937 /nfs/dbraw/zinc/27/79/37/629277937.db2.gz WVMKOMAJJHGQFO-CABZTGNLSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1noc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835049916 629349675 /nfs/dbraw/zinc/34/96/75/629349675.db2.gz KJXFVLUHSXOWAB-BTDICHCPSA-N 0 0 286.379 2.808 20 10 CFCDRN CC(C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1COC1 ZINC000835054266 629355727 /nfs/dbraw/zinc/35/57/27/629355727.db2.gz IHLBNHRSSURLLE-AATRIKPKSA-N 0 0 274.408 2.875 20 10 CFCDRN CN(C)c1ccc(/C=C\CNC(CF)CF)cc1 ZINC000835055802 629358730 /nfs/dbraw/zinc/35/87/30/629358730.db2.gz ZHZMZQIJTSRXDB-ARJAWSKDSA-N 0 0 254.324 2.663 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1[C@@H](C)C[C@@H]1C ZINC000792093136 629396578 /nfs/dbraw/zinc/39/65/78/629396578.db2.gz QDOWDUWJHZCYIP-STQMWFEESA-N 0 0 275.396 2.753 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCO)C1CCCC1 ZINC000792156447 629403718 /nfs/dbraw/zinc/40/37/18/629403718.db2.gz FYJLAPVAFVKWEI-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CCC1(O)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166194 629404323 /nfs/dbraw/zinc/40/43/23/629404323.db2.gz PVXYXNJMTNMXGF-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ncccn1 ZINC000792205956 629410625 /nfs/dbraw/zinc/41/06/25/629410625.db2.gz CZXCVFQUNJHVKQ-UHFFFAOYSA-N 0 0 284.407 2.953 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(F)F)c1 ZINC000792237330 629413263 /nfs/dbraw/zinc/41/32/63/629413263.db2.gz BDNHDGYSXVPIQP-MRVPVSSYSA-N 0 0 287.306 2.869 20 10 CFCDRN COCCN(C(=O)C1=CC(=O)CS1)[C@H]1CC[C@H](C)C1 ZINC000792516189 629429319 /nfs/dbraw/zinc/42/93/19/629429319.db2.gz GSWXBHHCVURPEU-QWRGUYRKSA-N 0 0 283.393 2.731 20 10 CFCDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1O ZINC000792537513 629432227 /nfs/dbraw/zinc/43/22/27/629432227.db2.gz IQIDBRILHRLOND-APPZFPTMSA-N 0 0 289.253 2.511 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)C2)c(O)c1 ZINC000792834303 629456883 /nfs/dbraw/zinc/45/68/83/629456883.db2.gz GGXQGEARPQSRMI-WCQYABFASA-N 0 0 292.379 2.779 20 10 CFCDRN CN(C)c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1 ZINC000852402822 634738870 /nfs/dbraw/zinc/73/88/70/634738870.db2.gz QSDGJOVKIZUHSN-QGZVFWFLSA-N 0 0 282.387 2.676 20 10 CFCDRN COc1ccc(CNC(=O)NC(C(C)C)C(C)C)c(O)c1 ZINC000793107470 629487733 /nfs/dbraw/zinc/48/77/33/629487733.db2.gz GIJZCZZMHPOGPX-UHFFFAOYSA-N 0 0 294.395 2.881 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccnc1F ZINC000793285540 629520858 /nfs/dbraw/zinc/52/08/58/629520858.db2.gz PSPFIIFYECTJOO-UHFFFAOYSA-N 0 0 266.703 2.870 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc(C)c2)c(O)c1 ZINC000794374371 629641402 /nfs/dbraw/zinc/64/14/02/629641402.db2.gz QWWSMNSIHFPACT-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN COc1ccc(CNC(=O)CC[C@H](C)SC)c(O)c1 ZINC000794377762 629641472 /nfs/dbraw/zinc/64/14/72/629641472.db2.gz KALCNJCCCZKOGA-JTQLQIEISA-N 0 0 283.393 2.549 20 10 CFCDRN COc1ccc(CNC(=O)c2cc(C)oc2C)c(O)c1 ZINC000794377973 629641479 /nfs/dbraw/zinc/64/14/79/629641479.db2.gz BJMQSDRDMHOBAE-UHFFFAOYSA-N 0 0 275.304 2.541 20 10 CFCDRN COc1ccc(CNC(=O)C2=CCCCC2)c(O)c1 ZINC000794378305 629641491 /nfs/dbraw/zinc/64/14/91/629641491.db2.gz SFLYIKPTQXJTEG-UHFFFAOYSA-N 0 0 261.321 2.517 20 10 CFCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794390412 629642837 /nfs/dbraw/zinc/64/28/37/629642837.db2.gz JHDNQTFQNJMTHR-GHMZBOCLSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)C2CCCC2)c(O)c1 ZINC000794391646 629643278 /nfs/dbraw/zinc/64/32/78/629643278.db2.gz ZPZIBEKSFDUFKN-LLVKDONJSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)Nc2ccccc2)c(O)c1 ZINC000794759673 629684963 /nfs/dbraw/zinc/68/49/63/629684963.db2.gz FJKYYVPMMSHNRN-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN CCc1nc(C(=O)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000794809208 629688990 /nfs/dbraw/zinc/68/89/90/629688990.db2.gz PWUMQCCRUDAACE-UHFFFAOYSA-N 0 0 287.363 2.541 20 10 CFCDRN CCOc1ccc(CNc2ncccc2F)c(O)c1 ZINC000794943012 629708451 /nfs/dbraw/zinc/70/84/51/629708451.db2.gz GOGODHCSHDMSIU-UHFFFAOYSA-N 0 0 262.284 2.937 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2[C@@H](C)C[C@@H]2C)cc1OC ZINC000795195761 629743709 /nfs/dbraw/zinc/74/37/09/629743709.db2.gz YTWAVBUXBRQOLT-IUCAKERBSA-N 0 0 266.297 2.599 20 10 CFCDRN Cc1ncc(COc2ccc(N3CCCC3)cc2)cn1 ZINC000795216216 629746504 /nfs/dbraw/zinc/74/65/04/629746504.db2.gz YTWAWDCMJVNVSV-UHFFFAOYSA-N 0 0 269.348 2.964 20 10 CFCDRN COc1ccc(CNc2nc(N)c3ccccc3n2)c(O)c1 ZINC000795285916 629757437 /nfs/dbraw/zinc/75/74/37/629757437.db2.gz VUGKLTCLKWECSM-UHFFFAOYSA-N 0 0 296.330 2.538 20 10 CFCDRN Oc1cc2c(cc1CN1CCOC[C@@H]1CC(F)F)CCC2 ZINC000795726732 629827406 /nfs/dbraw/zinc/82/74/06/629827406.db2.gz ACEUYOPXADBIPS-AWEZNQCLSA-N 0 0 297.345 2.737 20 10 CFCDRN Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)CCC2 ZINC000795726733 629828131 /nfs/dbraw/zinc/82/81/31/629828131.db2.gz ACEUYOPXADBIPS-CQSZACIVSA-N 0 0 297.345 2.737 20 10 CFCDRN CC(C)c1nn(C)cc1NC(=O)C1=CC(=O)CS1 ZINC000796468921 629922310 /nfs/dbraw/zinc/92/23/10/629922310.db2.gz QUYZQJGNXZYURU-UHFFFAOYSA-N 0 0 265.338 2.563 20 10 CFCDRN CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(F)cc1[O-] ZINC000796674561 629949771 /nfs/dbraw/zinc/94/97/71/629949771.db2.gz HLNXYUAOZLQLBS-HNNXBMFYSA-N 0 0 294.370 2.583 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000796700477 629952146 /nfs/dbraw/zinc/95/21/46/629952146.db2.gz FAJKKWGWMFKXMM-RISCZKNCSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+]Cc1nccn1C)c1ccc(F)cc1[O-] ZINC000796751613 629960176 /nfs/dbraw/zinc/96/01/76/629960176.db2.gz AJJNVFHEZBCOBN-LBPRGKRZSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H](C)CCO)c1ccc(F)cc1[O-] ZINC000796781680 629965408 /nfs/dbraw/zinc/96/54/08/629965408.db2.gz NBPONDDTMVJSBD-ZWNOBZJWSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)COCCOC)c1ccc(F)cc1[O-] ZINC000796828734 629974595 /nfs/dbraw/zinc/97/45/95/629974595.db2.gz UIWVBRKAOYXWQT-SMDDNHRTSA-N 0 0 285.359 2.624 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cncn1C)c1ccc(F)cc1[O-] ZINC000796951745 629994961 /nfs/dbraw/zinc/99/49/61/629994961.db2.gz WQFVPXOFFSGJIH-CQSZACIVSA-N 0 0 277.343 2.548 20 10 CFCDRN Cn1cc(C(=O)NCc2ccccc2O)c2cc(F)ccc21 ZINC000797743240 630099007 /nfs/dbraw/zinc/09/90/07/630099007.db2.gz FPIBALZHPJHMNK-UHFFFAOYSA-N 0 0 298.317 2.953 20 10 CFCDRN Cc1cccc(CNc2ccc(C(N)=O)c(C)c2)c1O ZINC000798084729 630147842 /nfs/dbraw/zinc/14/78/42/630147842.db2.gz BRTUAGGVDUSLDA-UHFFFAOYSA-N 0 0 270.332 2.720 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC=C(C)C1 ZINC000798109628 630151523 /nfs/dbraw/zinc/15/15/23/630151523.db2.gz XTJXYOOOFBDFMA-UHFFFAOYSA-N 0 0 287.407 2.923 20 10 CFCDRN C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000798352375 630181655 /nfs/dbraw/zinc/18/16/55/630181655.db2.gz QGZIRKWLBGJKGA-HIFRSBDPSA-N 0 0 289.423 2.988 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@H]2C)c(O)c1 ZINC000798511251 630197892 /nfs/dbraw/zinc/19/78/92/630197892.db2.gz JIHXRUNIHDNUIT-VXGBXAGGSA-N 0 0 292.379 2.636 20 10 CFCDRN CCCc1occc1C(=O)NCc1ccc(OC)cc1O ZINC000799006808 630267526 /nfs/dbraw/zinc/26/75/26/630267526.db2.gz RSBZNOUSRMUPJB-UHFFFAOYSA-N 0 0 289.331 2.876 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C)c(O)c1O ZINC000799063413 630272144 /nfs/dbraw/zinc/27/21/44/630272144.db2.gz WEFABIRETWJTLO-KOLCDFICSA-N 0 0 263.337 2.572 20 10 CFCDRN CN1C(=O)/C(=C\c2cn[nH]c2)c2cc(Cl)ccc21 ZINC000799501698 630316081 /nfs/dbraw/zinc/31/60/81/630316081.db2.gz MAXDNBSUQYNBJI-WCIBSUBMSA-N 0 0 259.696 2.580 20 10 CFCDRN CN1C(=O)/C(=C\c2cncnc2)c2cc(Cl)ccc21 ZINC000799501468 630316159 /nfs/dbraw/zinc/31/61/59/630316159.db2.gz DXPNWYKRHTYXOE-QCDXTXTGSA-N 0 0 271.707 2.647 20 10 CFCDRN CC(C)c1ncc(CN(C)C(=O)C2=CC(=O)CS2)cn1 ZINC000799851855 630348078 /nfs/dbraw/zinc/34/80/78/630348078.db2.gz NPOLVTWTUYZOLN-UHFFFAOYSA-N 0 0 291.376 2.639 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1C(F)F ZINC000800613257 630398896 /nfs/dbraw/zinc/39/88/96/630398896.db2.gz BLAHRDZUFJFNFI-XOIDGJRKSA-N 0 0 297.301 2.757 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccncc1 ZINC000839913997 630399681 /nfs/dbraw/zinc/39/96/81/630399681.db2.gz PERLYPACQLLHBQ-CQSZACIVSA-N 0 0 297.402 2.817 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)C ZINC000839915067 630399714 /nfs/dbraw/zinc/39/97/14/630399714.db2.gz XGZNLOLJOOKTGO-ZDUSSCGKSA-N 0 0 262.397 2.764 20 10 CFCDRN O=C(N[C@@H]1CCCC12CCOCC2)C1=CC(=O)CS1 ZINC000800697311 630402141 /nfs/dbraw/zinc/40/21/41/630402141.db2.gz TUTBHYKYCKFGTE-GFCCVEGCSA-N 0 0 281.377 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC1(F)F ZINC000839922332 630409895 /nfs/dbraw/zinc/40/98/95/630409895.db2.gz QJJOWZBKLBPJLY-RISCZKNCSA-N 0 0 296.361 2.763 20 10 CFCDRN CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H]3C(F)F)ccc21 ZINC000800870172 630413403 /nfs/dbraw/zinc/41/34/03/630413403.db2.gz JXSRJVZDBJZVOP-STQMWFEESA-N 0 0 294.345 2.586 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1 ZINC000801079194 630426511 /nfs/dbraw/zinc/42/65/11/630426511.db2.gz OCZVNSHZXWBZBH-STQMWFEESA-N 0 0 282.334 2.612 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@@H]1C(F)F ZINC000801174796 630432191 /nfs/dbraw/zinc/43/21/91/630432191.db2.gz WASWTCTUYCCHNG-RYUDHWBXSA-N 0 0 295.329 2.788 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1n[nH]cc1C ZINC000801548329 630456675 /nfs/dbraw/zinc/45/66/75/630456675.db2.gz SCLYXTOHIHQKIJ-UHFFFAOYSA-N 0 0 287.363 2.866 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncccn1 ZINC000801548568 630456999 /nfs/dbraw/zinc/45/69/99/630456999.db2.gz XVTPEVZBQUPABR-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN CO[C@H](COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000801837122 630475573 /nfs/dbraw/zinc/47/55/73/630475573.db2.gz AJFHKXVPDBXMST-GFCCVEGCSA-N 0 0 278.329 2.998 20 10 CFCDRN COc1cc(Br)cc(CN2CC(C)C2)c1O ZINC000802651089 630534911 /nfs/dbraw/zinc/53/49/11/630534911.db2.gz IPRPTQARUBQQIT-UHFFFAOYSA-N 0 0 286.169 2.615 20 10 CFCDRN Oc1ccc(Br)cc1CN1CCOCC12CC2 ZINC000802658889 630536467 /nfs/dbraw/zinc/53/64/67/630536467.db2.gz UAVZPYPJDUVDRT-UHFFFAOYSA-N 0 0 298.180 2.520 20 10 CFCDRN CC(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000804273533 630666339 /nfs/dbraw/zinc/66/63/39/630666339.db2.gz ZCGWJZMUCBLTGG-UHFFFAOYSA-N 0 0 289.262 2.692 20 10 CFCDRN COc1cccc(CNc2ccc(N)cc2[N+](=O)[O-])c1O ZINC000804424108 630680836 /nfs/dbraw/zinc/68/08/36/630680836.db2.gz FQUVCZJIWAOIRV-UHFFFAOYSA-N 0 0 289.291 2.503 20 10 CFCDRN CSc1cnc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc1 ZINC000804605809 630763635 /nfs/dbraw/zinc/76/36/35/630763635.db2.gz XVVHYKKHQXAZCL-VIFPVBQESA-N 0 0 291.376 2.653 20 10 CFCDRN CC[C@@H]([NH2+]CCCn1ccnn1)c1cccc(Cl)c1[O-] ZINC000806158774 630775402 /nfs/dbraw/zinc/77/54/02/630775402.db2.gz RAAJTCCJGXCCTI-CYBMUJFWSA-N 0 0 294.786 2.768 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC2(F)F)cc1 ZINC000806325420 630789681 /nfs/dbraw/zinc/78/96/81/630789681.db2.gz QPTPOCZMAMSLPA-CYBMUJFWSA-N 0 0 297.349 2.740 20 10 CFCDRN CC(F)(F)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000836319818 630791721 /nfs/dbraw/zinc/79/17/21/630791721.db2.gz FATKRSBNCFDOEQ-UHFFFAOYSA-N 0 0 295.333 2.517 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]2C[C@H]21 ZINC000806846402 630840565 /nfs/dbraw/zinc/84/05/65/630840565.db2.gz MWYQICVONHUNAR-DOTOQJQBSA-N 0 0 297.402 2.757 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@H]1CCCC1(F)F ZINC000836604971 630857927 /nfs/dbraw/zinc/85/79/27/630857927.db2.gz YCOCEJKMPZRNJJ-LLVKDONJSA-N 0 0 284.306 2.627 20 10 CFCDRN CC1(C)CC=C(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000836777813 630880568 /nfs/dbraw/zinc/88/05/68/630880568.db2.gz PTXMABVTXNIBAA-UHFFFAOYSA-N 0 0 289.375 2.893 20 10 CFCDRN Cc1cccc(CCCNC(=O)C2=CC(=O)CS2)n1 ZINC000807668265 630903158 /nfs/dbraw/zinc/90/31/58/630903158.db2.gz QHLJLGVDLOLRAU-UHFFFAOYSA-N 0 0 276.361 2.520 20 10 CFCDRN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000807691480 630903835 /nfs/dbraw/zinc/90/38/35/630903835.db2.gz NKCZYPDVRLWJBN-YGRLFVJLSA-N 0 0 291.372 2.614 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1O ZINC000836882633 630907739 /nfs/dbraw/zinc/90/77/39/630907739.db2.gz AVOKQRGCFPYRNT-KBPBESRZSA-N 0 0 287.359 2.667 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000836886192 630908628 /nfs/dbraw/zinc/90/86/28/630908628.db2.gz USEWIKULRZSYFL-XPYYNRSKSA-N 0 0 299.370 2.758 20 10 CFCDRN CC(=O)C(=O)CSc1nc2ccccc2s1 ZINC000808012102 630941693 /nfs/dbraw/zinc/94/16/93/630941693.db2.gz DWJPOSQGYXSZSP-UHFFFAOYSA-N 0 0 251.332 2.547 20 10 CFCDRN CC(=O)C(=O)COc1c(C=O)cc(Cl)c2ccccc21 ZINC000808030680 630943529 /nfs/dbraw/zinc/94/35/29/630943529.db2.gz CLCNKSHUJOCDDV-UHFFFAOYSA-N 0 0 290.702 2.843 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C)n1 ZINC000808095142 630950105 /nfs/dbraw/zinc/95/01/05/630950105.db2.gz SWGGBUBKFRCWCA-UHFFFAOYSA-N 0 0 291.347 2.511 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC1(C)C ZINC000808095685 630950172 /nfs/dbraw/zinc/95/01/72/630950172.db2.gz NYBASTMSBAETMB-JTQLQIEISA-N 0 0 268.353 2.540 20 10 CFCDRN COc1ccc(CNC(=O)OCCC(F)(F)F)c(O)c1 ZINC000867217465 630968094 /nfs/dbraw/zinc/96/80/94/630968094.db2.gz IJKYOZAVEJZXCT-UHFFFAOYSA-N 0 0 293.241 2.579 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C1CC1)C1CCC1 ZINC000837250559 630986077 /nfs/dbraw/zinc/98/60/77/630986077.db2.gz UVRZQXQNZFWOJK-MPNRVQBSSA-N 0 0 287.359 2.806 20 10 CFCDRN Cc1ccc2c(c1)CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000855379486 635524476 /nfs/dbraw/zinc/52/44/76/635524476.db2.gz RCUOBISSXOCBIO-UHFFFAOYSA-N 0 0 273.357 2.961 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCC2(F)CCC2)c1 ZINC000808427492 630990028 /nfs/dbraw/zinc/99/00/28/630990028.db2.gz UEUJGACWSWECOO-UHFFFAOYSA-N 0 0 268.288 2.672 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]2C(F)F)c1[O-] ZINC000808422600 630990302 /nfs/dbraw/zinc/99/03/02/630990302.db2.gz VIWKHCRAGPRCKW-YUMQZZPRSA-N 0 0 292.669 2.697 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C(C)(C)C)C2)c(O)c1O ZINC000837271096 630990432 /nfs/dbraw/zinc/99/04/32/630990432.db2.gz TWBJCQSKUCLDEX-UHFFFAOYSA-N 0 0 263.337 2.524 20 10 CFCDRN CCc1nc(C)c(C(=O)NCc2ccc(N)cc2)s1 ZINC000837302824 630993057 /nfs/dbraw/zinc/99/30/57/630993057.db2.gz IMSDTHSCUITOMO-UHFFFAOYSA-N 0 0 275.377 2.526 20 10 CFCDRN CCCc1sc(C(=O)OCC(=O)C(C)=O)cc1CC ZINC000808484514 631001018 /nfs/dbraw/zinc/00/10/18/631001018.db2.gz DNLQJHXUJHUSHN-UHFFFAOYSA-N 0 0 282.361 2.578 20 10 CFCDRN CC[C@@H](C)[C@@H](C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808485679 631001372 /nfs/dbraw/zinc/00/13/72/631001372.db2.gz UPNOANWUGZPDDM-IAQYHMDHSA-N 0 0 276.332 2.518 20 10 CFCDRN CCCCC[C@H](C(=O)OCC(=O)C(C)=O)C(C)C ZINC000808527144 631008015 /nfs/dbraw/zinc/00/80/15/631008015.db2.gz ZUNMZSWMIVPQPF-LBPRGKRZSA-N 0 0 256.342 2.540 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCCCO1 ZINC000837422852 631025416 /nfs/dbraw/zinc/02/54/16/631025416.db2.gz AJOUVLQWNUVJIZ-QGZVFWFLSA-N 0 0 290.407 2.636 20 10 CFCDRN CN(Cc1cnnn1-c1ccccc1)Cc1ccccc1O ZINC000808736184 631039830 /nfs/dbraw/zinc/03/98/30/631039830.db2.gz MFXQZSBWVJJDJY-UHFFFAOYSA-N 0 0 294.358 2.605 20 10 CFCDRN C[C@H](NC(=O)[C@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000837543372 631062008 /nfs/dbraw/zinc/06/20/08/631062008.db2.gz VAKKQDCMUIYHBK-GUYCJALGSA-N 0 0 290.407 2.889 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)c(O)c1O ZINC000840574418 631165820 /nfs/dbraw/zinc/16/58/20/631165820.db2.gz VCNJKDMRHNZVBN-LBPRGKRZSA-N 0 0 275.348 2.668 20 10 CFCDRN CCn1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000840840082 631237174 /nfs/dbraw/zinc/23/71/74/631237174.db2.gz FGFJLNWUOAQGJY-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nnc2ccccn21 ZINC000840878214 631249339 /nfs/dbraw/zinc/24/93/39/631249339.db2.gz BOGPWFNEWBSBIM-UHFFFAOYSA-N 0 0 281.363 2.716 20 10 CFCDRN COC(=O)c1cncc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840880463 631249538 /nfs/dbraw/zinc/24/95/38/631249538.db2.gz YDEJTXAAQLDRGV-UHFFFAOYSA-N 0 0 299.374 2.855 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nc2n(n1)CCCC2 ZINC000840886191 631250779 /nfs/dbraw/zinc/25/07/79/631250779.db2.gz REKCJNLFBPXMCK-UHFFFAOYSA-N 0 0 285.395 2.601 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000840914904 631263176 /nfs/dbraw/zinc/26/31/76/631263176.db2.gz IGJWNKIACCMPMU-PHIMTYICSA-N 0 0 267.756 2.717 20 10 CFCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000809693115 631265126 /nfs/dbraw/zinc/26/51/26/631265126.db2.gz OFYKCMOPLMFMQL-SECBINFHSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccccc1O ZINC000809696746 631267094 /nfs/dbraw/zinc/26/70/94/631267094.db2.gz QBNSIMQKRNYHQV-CABZTGNLSA-N 0 0 275.270 2.544 20 10 CFCDRN Cc1cn2c(n1)CN(Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840936128 631269297 /nfs/dbraw/zinc/26/92/97/631269297.db2.gz DRADJTSNIANPRB-UHFFFAOYSA-N 0 0 291.782 2.875 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C1CC1 ZINC000809751495 631281373 /nfs/dbraw/zinc/28/13/73/631281373.db2.gz IIKPLAQMVVLPNZ-GFCCVEGCSA-N 0 0 290.190 2.902 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC000809756781 631283215 /nfs/dbraw/zinc/28/32/15/631283215.db2.gz XLKVSUHRGVBPLW-UHFFFAOYSA-N 0 0 294.351 2.833 20 10 CFCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(C)C ZINC000840967490 631288333 /nfs/dbraw/zinc/28/83/33/631288333.db2.gz GFCYIUZJJCGUFB-STQMWFEESA-N 0 0 271.788 2.931 20 10 CFCDRN COc1ccc(O)c(CNc2ccc3c(c2)C(=O)OC3)c1 ZINC000809787932 631289312 /nfs/dbraw/zinc/28/93/12/631289312.db2.gz GPNXMNZOCAGJOS-UHFFFAOYSA-N 0 0 285.299 2.683 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1 ZINC000840998220 631298070 /nfs/dbraw/zinc/29/80/70/631298070.db2.gz YTRCTTQFVLNSNM-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN CCCC[C@@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841028742 631310159 /nfs/dbraw/zinc/31/01/59/631310159.db2.gz HQJYXSVVVLRZGQ-NSHDSACASA-N 0 0 256.777 2.653 20 10 CFCDRN Nc1ccc(NC(=O)NCCCCNc2ccccn2)cc1 ZINC000841300244 631378541 /nfs/dbraw/zinc/37/85/41/631378541.db2.gz NSNHMNXEGPNHBL-UHFFFAOYSA-N 0 0 299.378 2.678 20 10 CFCDRN Nc1ccc(NC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000841300582 631379360 /nfs/dbraw/zinc/37/93/60/631379360.db2.gz SHNPIZIQJYOREY-UHFFFAOYSA-N 0 0 282.347 2.860 20 10 CFCDRN CCCC[C@H](COC)NC(=O)Nc1ccc(N)cc1 ZINC000841300979 631379394 /nfs/dbraw/zinc/37/93/94/631379394.db2.gz YLEWWDVJENPYRZ-CYBMUJFWSA-N 0 0 265.357 2.596 20 10 CFCDRN CCc1nocc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000841499028 631417906 /nfs/dbraw/zinc/41/79/06/631417906.db2.gz YKJMPYVZNBSTLV-WDZFZDKYSA-N 0 0 294.401 2.991 20 10 CFCDRN C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841617014 631432298 /nfs/dbraw/zinc/43/22/98/631432298.db2.gz CEHXZPJJXRBOJB-SWLSCSKDSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841709121 631457044 /nfs/dbraw/zinc/45/70/44/631457044.db2.gz CBZKVPQWSXBJJY-SWLSCSKDSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841746453 631463329 /nfs/dbraw/zinc/46/33/29/631463329.db2.gz ZEVFBTDNRVVCLS-ZJUUUORDSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760580 631469219 /nfs/dbraw/zinc/46/92/19/631469219.db2.gz SSZBBLNWVKRACK-UWVGGRQHSA-N 0 0 257.761 2.857 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@]2(C)C(=O)[O-])cc1C ZINC000841804188 631473387 /nfs/dbraw/zinc/47/33/87/631473387.db2.gz OIFYUZVNKMQSOK-ZBFHGGJFSA-N 0 0 277.364 2.737 20 10 CFCDRN CC[C@@H](C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841841709 631478856 /nfs/dbraw/zinc/47/88/56/631478856.db2.gz UUEUBLKIOBJTGS-OLZOCXBDSA-N 0 0 277.412 2.935 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841857372 631481864 /nfs/dbraw/zinc/48/18/64/631481864.db2.gz XFJHRHDUFLYPOX-HIFRSBDPSA-N 0 0 275.396 2.689 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841908846 631492873 /nfs/dbraw/zinc/49/28/73/631492873.db2.gz VERFLJFREPZABA-HUUCEWRRSA-N 0 0 289.423 2.937 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000841953597 631495755 /nfs/dbraw/zinc/49/57/55/631495755.db2.gz ATGFWRKBNLEDPB-GDBMZVCRSA-N 0 0 287.407 2.785 20 10 CFCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955222 631495828 /nfs/dbraw/zinc/49/58/28/631495828.db2.gz WFWVMKMXOTYOAA-QWHCGFSZSA-N 0 0 275.396 2.641 20 10 CFCDRN Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)o1 ZINC000841959030 631496419 /nfs/dbraw/zinc/49/64/19/631496419.db2.gz JKDYYJJYLZYFTO-UHFFFAOYSA-N 0 0 287.363 2.554 20 10 CFCDRN CC[C@@H](CSC)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841958967 631496696 /nfs/dbraw/zinc/49/66/96/631496696.db2.gz JEKVNJOEEYDAMH-AWEZNQCLSA-N 0 0 295.452 2.594 20 10 CFCDRN CN(C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000841963169 631497441 /nfs/dbraw/zinc/49/74/41/631497441.db2.gz XXMJAEKUQGHRPC-UHFFFAOYSA-N 0 0 275.396 2.785 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCOCC1CCC1 ZINC000842152710 631553591 /nfs/dbraw/zinc/55/35/91/631553591.db2.gz IRMRXQRPQLICNA-UHFFFAOYSA-N 0 0 290.407 2.768 20 10 CFCDRN CC[C@H](CN(CCOC)c1ccc(OC)c(OC)c1)OC ZINC000842151928 631553806 /nfs/dbraw/zinc/55/38/06/631553806.db2.gz DOMDRJRLPGVHGO-CQSZACIVSA-N 0 0 297.395 2.582 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000811518103 631575709 /nfs/dbraw/zinc/57/57/09/631575709.db2.gz GRVYFACPMWXBIL-ZDUSSCGKSA-N 0 0 287.762 2.825 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nccnc1C ZINC000811805409 631623890 /nfs/dbraw/zinc/62/38/90/631623890.db2.gz SBUZJKMOBBSQEN-UHFFFAOYSA-N 0 0 256.353 2.772 20 10 CFCDRN Cn1c2ccccc2nc1NCCc1ccc(O)c(O)c1 ZINC000811810868 631625919 /nfs/dbraw/zinc/62/59/19/631625919.db2.gz GUKCDTBUMJCPOD-UHFFFAOYSA-N 0 0 283.331 2.639 20 10 CFCDRN CC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000811905437 631639278 /nfs/dbraw/zinc/63/92/78/631639278.db2.gz DJXJNVUPEZWSIU-IUODEOHRSA-N 0 0 293.411 2.538 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1CC1 ZINC000840249087 631686679 /nfs/dbraw/zinc/68/66/79/631686679.db2.gz KGEUUZQOSTYDPW-CYBMUJFWSA-N 0 0 289.423 2.701 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CCC(F)CC2)c1 ZINC000842775553 631737265 /nfs/dbraw/zinc/73/72/65/631737265.db2.gz QOYZPJCKDDCEPE-UHFFFAOYSA-N 0 0 282.315 2.918 20 10 CFCDRN CO[C@H](C)C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843018714 631804652 /nfs/dbraw/zinc/80/46/52/631804652.db2.gz ANKLEVNTCJFPQJ-LLVKDONJSA-N 0 0 287.359 2.997 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NCCCCF)cc1 ZINC000812929114 631807499 /nfs/dbraw/zinc/80/74/99/631807499.db2.gz SIGNFIOAROFWJJ-UHFFFAOYSA-N 0 0 281.375 2.644 20 10 CFCDRN C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843045262 631811292 /nfs/dbraw/zinc/81/12/92/631811292.db2.gz SWRKNHJVHFOALD-JTQLQIEISA-N 0 0 286.778 2.616 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043854 631811441 /nfs/dbraw/zinc/81/14/41/631811441.db2.gz LRTNXHKELSWNHW-UHFFFAOYSA-N 0 0 298.789 2.901 20 10 CFCDRN C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C[NH3+] ZINC000843052508 631816899 /nfs/dbraw/zinc/81/68/99/631816899.db2.gz VFGSJDPDDVUWPL-NOZJJQNGSA-N 0 0 286.778 2.744 20 10 CFCDRN Cc1noc(C)c1CCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158252 631869837 /nfs/dbraw/zinc/86/98/37/631869837.db2.gz AOOZMTFXQLDQPR-UHFFFAOYSA-N 0 0 298.346 2.633 20 10 CFCDRN CS[C@@H](C)CCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158430 631869849 /nfs/dbraw/zinc/86/98/49/631869849.db2.gz CRJHOQMKWZGATE-JTQLQIEISA-N 0 0 277.393 2.927 20 10 CFCDRN CC(C)Cn1nccc1-c1nc(Cc2ccc(N)cc2)no1 ZINC000843160609 631871491 /nfs/dbraw/zinc/87/14/91/631871491.db2.gz KYQOHVGFAROFDK-UHFFFAOYSA-N 0 0 297.362 2.762 20 10 CFCDRN Nc1ccc(Cc2noc(CCC3CCOCC3)n2)cc1 ZINC000843159503 631871631 /nfs/dbraw/zinc/87/16/31/631871631.db2.gz ROGCNGLNDIBWAM-UHFFFAOYSA-N 0 0 287.363 2.602 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C=C/c2ccccc2)c1 ZINC000155927363 650037055 /nfs/dbraw/zinc/03/70/55/650037055.db2.gz CILZYMNVHPDXEN-JXMROGBWSA-N 0 0 283.327 2.730 20 10 CFCDRN Cc1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000813818592 631962112 /nfs/dbraw/zinc/96/21/12/631962112.db2.gz XNQVCCVYMQAFBU-NSHDSACASA-N 0 0 273.336 2.540 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1F ZINC000814172267 632022096 /nfs/dbraw/zinc/02/20/96/632022096.db2.gz FWURSMKEOICLEP-JKSUJKDBSA-N 0 0 278.371 2.645 20 10 CFCDRN NC(=O)Nc1cc(NCc2ccccc2O)ccc1F ZINC000814301386 632050643 /nfs/dbraw/zinc/05/06/43/632050643.db2.gz XWSMUDYMXZPKFN-UHFFFAOYSA-N 0 0 275.283 2.634 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC1(COC)CC1 ZINC000843820280 632062021 /nfs/dbraw/zinc/06/20/21/632062021.db2.gz QFUNIRJOHDIWEJ-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN COc1ccc(CNC(=O)/C=C/C2CCCC2)c(O)c1 ZINC000843875028 632070059 /nfs/dbraw/zinc/07/00/59/632070059.db2.gz VNAPPFKSDKYATD-RMKNXTFCSA-N 0 0 275.348 2.763 20 10 CFCDRN CC(=O)C(=O)COc1ccc(Cl)cc1C(F)(F)F ZINC000814758937 632119142 /nfs/dbraw/zinc/11/91/42/632119142.db2.gz MLIAGAAXPWZJSU-UHFFFAOYSA-N 0 0 280.629 2.896 20 10 CFCDRN CCN(Cc1snnc1C)c1ccc(OC)c(OC)c1 ZINC000844304273 632162999 /nfs/dbraw/zinc/16/29/99/632162999.db2.gz IRMIPHCNKVUFSA-UHFFFAOYSA-N 0 0 293.392 2.890 20 10 CFCDRN COCc1nc(CN(C)c2ccc(OC)cc2)cs1 ZINC000844352731 632176633 /nfs/dbraw/zinc/17/66/33/632176633.db2.gz FGIRVKNRTVXKMZ-UHFFFAOYSA-N 0 0 278.377 2.935 20 10 CFCDRN CCO[C@@H](C)c1noc(CN(C)c2ccc(OC)cc2)n1 ZINC000844353117 632177510 /nfs/dbraw/zinc/17/75/10/632177510.db2.gz HCOBQTMHYIZERJ-NSHDSACASA-N 0 0 291.351 2.812 20 10 CFCDRN COc1ccc(N(C)CC(=O)NCc2cccs2)cc1 ZINC000844353675 632177661 /nfs/dbraw/zinc/17/76/61/632177661.db2.gz UWJVEINUVWWZNR-UHFFFAOYSA-N 0 0 290.388 2.509 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1 ZINC000844353243 632178060 /nfs/dbraw/zinc/17/80/60/632178060.db2.gz IQIOKIIQMOXTCD-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN Cc1cc(C[N@@H+]2CCOCC2(C)C)ccc1N(C)C ZINC000815023547 632188050 /nfs/dbraw/zinc/18/80/50/632188050.db2.gz AYRPWXMDXUOXQR-UHFFFAOYSA-N 0 0 262.397 2.672 20 10 CFCDRN CCOC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815033513 632189520 /nfs/dbraw/zinc/18/95/20/632189520.db2.gz JPNGEUKQBDAZAI-UHFFFAOYSA-N 0 0 290.407 2.589 20 10 CFCDRN COC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCC1 ZINC000815075825 632195853 /nfs/dbraw/zinc/19/58/53/632195853.db2.gz NSTIXNVBNIYTJQ-UHFFFAOYSA-N 0 0 290.407 2.636 20 10 CFCDRN CCN(C)c1ccc(CN2CCOCC23CC3)cc1 ZINC000815112459 632203443 /nfs/dbraw/zinc/20/34/43/632203443.db2.gz RGAIMPBCCRRKJP-UHFFFAOYSA-N 0 0 260.381 2.508 20 10 CFCDRN CCN(C)c1ccc(CN2CCO[C@H](C(F)F)C2)cc1 ZINC000815111698 632203562 /nfs/dbraw/zinc/20/35/62/632203562.db2.gz FNNZVZPRWXJBPH-AWEZNQCLSA-N 0 0 284.350 2.609 20 10 CFCDRN CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000844659528 632276686 /nfs/dbraw/zinc/27/66/86/632276686.db2.gz AEBYZTHOVRKQSJ-GFCCVEGCSA-N 0 0 299.392 2.915 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815576475 632291186 /nfs/dbraw/zinc/29/11/86/632291186.db2.gz QXNVBIBAZZATTQ-ZJUUUORDSA-N 0 0 288.313 2.766 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC2(C)C)cc1 ZINC000844853962 632323240 /nfs/dbraw/zinc/32/32/40/632323240.db2.gz HYOBSTSXFBJSLS-OAHLLOKOSA-N 0 0 290.407 2.636 20 10 CFCDRN CCS[C@@H](C(=O)NCc1cccc(OC)c1O)C(C)C ZINC000105650054 632325467 /nfs/dbraw/zinc/32/54/67/632325467.db2.gz GNXPMHJUMUOCKX-CQSZACIVSA-N 0 0 297.420 2.795 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000844938667 632342556 /nfs/dbraw/zinc/34/25/56/632342556.db2.gz VWFJGICSXSHAHP-LLVKDONJSA-N 0 0 271.744 2.649 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1O ZINC000844939288 632342814 /nfs/dbraw/zinc/34/28/14/632342814.db2.gz NGKZWNDDXMUUEB-SFHVURJKSA-N 0 0 299.370 2.833 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cnn(C)c1 ZINC000816552988 632482525 /nfs/dbraw/zinc/48/25/25/632482525.db2.gz DIVCODNVRSWACB-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN COC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816551962 632482727 /nfs/dbraw/zinc/48/27/27/632482727.db2.gz WORAAPJPIWLWJV-LBPRGKRZSA-N 0 0 275.751 2.945 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000816552634 632483253 /nfs/dbraw/zinc/48/32/53/632483253.db2.gz RHOLBYFUZKCPDV-JTQLQIEISA-N 0 0 295.745 2.555 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(CCO)CCC1 ZINC000816556204 632483344 /nfs/dbraw/zinc/48/33/44/632483344.db2.gz CHLCIMBFBCACHH-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN Cc1c(NCc2cc(Cl)c(F)cc2O)cnn1C ZINC000816560624 632484013 /nfs/dbraw/zinc/48/40/13/632484013.db2.gz UYPDZEFMRALJEP-UHFFFAOYSA-N 0 0 269.707 2.839 20 10 CFCDRN CCc1nocc1CN(C)c1ccc(OC)c(OC)c1 ZINC000816569781 632488060 /nfs/dbraw/zinc/48/80/60/632488060.db2.gz WNKPLCBHUZMNHI-UHFFFAOYSA-N 0 0 276.336 2.891 20 10 CFCDRN C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571419 632488291 /nfs/dbraw/zinc/48/82/91/632488291.db2.gz CYFWUUIFKBQGMM-UWVGGRQHSA-N 0 0 286.778 2.709 20 10 CFCDRN Cc1nonc1CNCc1ccc2ccccc2c1O ZINC000816610926 632493839 /nfs/dbraw/zinc/49/38/39/632493839.db2.gz CPTAZVBRGYUGJP-UHFFFAOYSA-N 0 0 269.304 2.527 20 10 CFCDRN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816660952 632507142 /nfs/dbraw/zinc/50/71/42/632507142.db2.gz WAVRVFVWALVBGW-OTYXRUKQSA-N 0 0 287.762 2.825 20 10 CFCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000816662314 632507193 /nfs/dbraw/zinc/50/71/93/632507193.db2.gz MHABPFNLJSMSBJ-QGZVFWFLSA-N 0 0 293.407 2.631 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000816889050 632531698 /nfs/dbraw/zinc/53/16/98/632531698.db2.gz KVOGORJUWGRHHD-UHFFFAOYSA-N 0 0 298.298 2.511 20 10 CFCDRN Cc1nn(C)c2nccc(NCc3ccc(N(C)C)cc3)c12 ZINC000817117492 632559218 /nfs/dbraw/zinc/55/92/18/632559218.db2.gz CRBAMEIBBDWYFZ-UHFFFAOYSA-N 0 0 295.390 2.955 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C1CCCC1 ZINC000845833474 632577637 /nfs/dbraw/zinc/57/76/37/632577637.db2.gz GQWPDHMDQWKMGS-QWHCGFSZSA-N 0 0 275.348 2.540 20 10 CFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](C)O ZINC000817298419 632599077 /nfs/dbraw/zinc/59/90/77/632599077.db2.gz LEGMJYKEOGHHBY-TZMCWYRMSA-N 0 0 263.381 2.711 20 10 CFCDRN COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000845930336 632599926 /nfs/dbraw/zinc/59/99/26/632599926.db2.gz SIEIZJNXXPDICQ-GFCCVEGCSA-N 0 0 296.367 2.841 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)OCC2CC2)cc1 ZINC000845987986 632609244 /nfs/dbraw/zinc/60/92/44/632609244.db2.gz QVHCFSTXHOUBGF-UHFFFAOYSA-N 0 0 292.379 2.610 20 10 CFCDRN Cc1nn(C)cc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000817346296 632610541 /nfs/dbraw/zinc/61/05/41/632610541.db2.gz RGIYCBVSUBWXNI-OQLLNIDSSA-N 0 0 279.343 2.562 20 10 CFCDRN Cc1nn(C)cc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000817346295 632610615 /nfs/dbraw/zinc/61/06/15/632610615.db2.gz RGIYCBVSUBWXNI-DHDCSXOGSA-N 0 0 279.343 2.562 20 10 CFCDRN CC(C)n1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)nn1 ZINC000817347019 632610740 /nfs/dbraw/zinc/61/07/40/632610740.db2.gz YCPWNMBUIWSGDM-OQLLNIDSSA-N 0 0 294.358 2.692 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007398 632611989 /nfs/dbraw/zinc/61/19/89/632611989.db2.gz HAPZPVNFRDRYLL-UHFFFAOYSA-N 0 0 299.773 2.922 20 10 CFCDRN C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000817412652 632624359 /nfs/dbraw/zinc/62/43/59/632624359.db2.gz NRLHPWXRVATEFX-UWVGGRQHSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000817414468 632625436 /nfs/dbraw/zinc/62/54/36/632625436.db2.gz LJEIQWZJPHUVFA-RKDXNWHRSA-N 0 0 273.735 2.530 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CC3)cc1 ZINC000817428591 632632080 /nfs/dbraw/zinc/63/20/80/632632080.db2.gz PTESEEBYFGGOFP-OAHLLOKOSA-N 0 0 272.392 2.949 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1(CO)CCC1 ZINC000846106148 632632757 /nfs/dbraw/zinc/63/27/57/632632757.db2.gz YBPMWRSGOTYMRN-UHFFFAOYSA-N 0 0 269.772 2.688 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000817445010 632636637 /nfs/dbraw/zinc/63/66/37/632636637.db2.gz DIABEIKMXITTMA-BXUZGUMPSA-N 0 0 258.365 2.730 20 10 CFCDRN CN(CC[NH+]1CCCCC1)Cc1cccc(Cl)c1[O-] ZINC000846115575 632636916 /nfs/dbraw/zinc/63/69/16/632636916.db2.gz XKXCXOFQTMKIEU-UHFFFAOYSA-N 0 0 282.815 2.963 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CC2(F)F)cc1 ZINC000817516342 632655882 /nfs/dbraw/zinc/65/58/82/632655882.db2.gz VXCMZHMKCNUPIU-CQSZACIVSA-N 0 0 282.334 2.756 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846185423 632656871 /nfs/dbraw/zinc/65/68/71/632656871.db2.gz WJYCPFMCEVRAGK-COPLHBTASA-N 0 0 296.367 2.748 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CC2(F)F)c1 ZINC000817549064 632660308 /nfs/dbraw/zinc/66/03/08/632660308.db2.gz HOEQLGHFBZGJAF-SDBXPKJASA-N 0 0 285.290 2.623 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CC2 ZINC000817547894 632660486 /nfs/dbraw/zinc/66/04/86/632660486.db2.gz TZQPVPFFZMRJBF-CYBMUJFWSA-N 0 0 259.349 2.931 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CC2(F)F)c1 ZINC000817549062 632660578 /nfs/dbraw/zinc/66/05/78/632660578.db2.gz HOEQLGHFBZGJAF-ISVAXAHUSA-N 0 0 285.290 2.623 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)CCF)c1cccc(C(F)(F)F)c1[O-] ZINC000846208419 632660959 /nfs/dbraw/zinc/66/09/59/632660959.db2.gz JQUGFOFSKLGNCJ-DTWKUNHWSA-N 0 0 295.276 2.782 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000846273881 632679121 /nfs/dbraw/zinc/67/91/21/632679121.db2.gz FJSTWGOVECVMHG-QGZVFWFLSA-N 0 0 290.407 2.829 20 10 CFCDRN C[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCC1=O ZINC000846473112 632715193 /nfs/dbraw/zinc/71/51/93/632715193.db2.gz ISXBHJFDZNBWLU-NXEZZACHSA-N 0 0 295.766 2.667 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CC23CCSCC3)cc1 ZINC000817868245 632715438 /nfs/dbraw/zinc/71/54/38/632715438.db2.gz QJOCQXOQSBLHEI-NSHDSACASA-N 0 0 291.420 2.924 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1(C2CCC2)CC1 ZINC000846478216 632718185 /nfs/dbraw/zinc/71/81/85/632718185.db2.gz MWPCXULEIXEGMR-FNORWQNLSA-N 0 0 273.332 2.560 20 10 CFCDRN CC[C@@H](NC1C[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817955891 632755770 /nfs/dbraw/zinc/75/57/70/632755770.db2.gz KFLYGZDRXRJLDU-LLVKDONJSA-N 0 0 275.179 2.712 20 10 CFCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C1=CC(=O)CS1 ZINC000846662621 632767599 /nfs/dbraw/zinc/76/75/99/632767599.db2.gz VKPMGZTZYAARSM-SNVBAGLBSA-N 0 0 299.392 2.646 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846664846 632768291 /nfs/dbraw/zinc/76/82/91/632768291.db2.gz PCSZLSRMXIMSNG-NSHDSACASA-N 0 0 273.304 2.715 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1ccc(F)cc1[O-] ZINC000818346846 632835187 /nfs/dbraw/zinc/83/51/87/632835187.db2.gz VGRZMTFEGLHTNZ-CYBMUJFWSA-N 0 0 292.358 2.692 20 10 CFCDRN CCO[C@@H](CC(=O)Nc1ccc(N)cc1)C(C)C ZINC000818556221 632865215 /nfs/dbraw/zinc/86/52/15/632865215.db2.gz BLXVNAZBKNAXMQ-ZDUSSCGKSA-N 0 0 250.342 2.659 20 10 CFCDRN CN(CC(=O)NC1CC1)c1ccc(-c2nccs2)cc1 ZINC000846990235 632870961 /nfs/dbraw/zinc/87/09/61/632870961.db2.gz CSNAQTHHMIBRNH-UHFFFAOYSA-N 0 0 287.388 2.525 20 10 CFCDRN CN(C)c1ccc(CN2CCC(=O)CC23CCC3)cc1 ZINC000846997379 632873675 /nfs/dbraw/zinc/87/36/75/632873675.db2.gz MNQBTIMEBSZLCX-UHFFFAOYSA-N 0 0 272.392 2.840 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1C ZINC000818631357 632884628 /nfs/dbraw/zinc/88/46/28/632884628.db2.gz GBFRZOJDMZMDNM-BMIGLBTASA-N 0 0 277.364 2.694 20 10 CFCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C(=O)[O-] ZINC000818631060 632885253 /nfs/dbraw/zinc/88/52/53/632885253.db2.gz BHMYPODHXAJSBL-NOZJJQNGSA-N 0 0 283.755 2.731 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000818636339 632885960 /nfs/dbraw/zinc/88/59/60/632885960.db2.gz OFQYARGYUCUDMX-FZMZJTMJSA-N 0 0 259.353 2.827 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C(F)=C2CCC2)cc1 ZINC000819020839 632932288 /nfs/dbraw/zinc/93/22/88/632932288.db2.gz HZUNHNDCTZZBAJ-UHFFFAOYSA-N 0 0 262.328 2.776 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N1CCCc2cccnc21 ZINC000847145317 632936828 /nfs/dbraw/zinc/93/68/28/632936828.db2.gz XHJHBRWMEZUELR-SREVYHEPSA-N 0 0 285.372 2.839 20 10 CFCDRN CC[C@H](C)[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165788 632994407 /nfs/dbraw/zinc/99/44/07/632994407.db2.gz ZYWQQWYMNPBUMJ-RYUDHWBXSA-N 0 0 290.363 2.591 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ncccn1 ZINC000840384359 633162446 /nfs/dbraw/zinc/16/24/46/633162446.db2.gz IRSOOMZIOWSBQH-ZDUSSCGKSA-N 0 0 270.380 2.894 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000857080641 635926617 /nfs/dbraw/zinc/92/66/17/635926617.db2.gz JYQPKWBJWVUFDM-MWLCHTKSSA-N 0 0 299.317 2.875 20 10 CFCDRN COC[C@H](CC(C)(C)C)NC(=O)c1ccc(C)c(O)c1O ZINC000848309047 633238411 /nfs/dbraw/zinc/23/84/11/633238411.db2.gz CSFYQTBWZUIXRM-NSHDSACASA-N 0 0 295.379 2.587 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](OC2CCC2)C1 ZINC000848391127 633247113 /nfs/dbraw/zinc/24/71/13/633247113.db2.gz VYZQDAXOTBJDLE-LBPRGKRZSA-N 0 0 281.377 2.627 20 10 CFCDRN O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)C1=CC(=O)CS1 ZINC000848390695 633247488 /nfs/dbraw/zinc/24/74/88/633247488.db2.gz VBTSQXCOXRZJQB-AAEUAGOBSA-N 0 0 281.377 2.531 20 10 CFCDRN Cc1nsc(C)c1COC(=O)c1ccc(C)c(O)c1O ZINC000848712892 633321914 /nfs/dbraw/zinc/32/19/14/633321914.db2.gz TWCDLNXJEXVCSF-UHFFFAOYSA-N 0 0 293.344 2.837 20 10 CFCDRN CCc1cccc(CN(C)[C@H](C)C(=O)OC(C)C)c1O ZINC000848890300 633364736 /nfs/dbraw/zinc/36/47/36/633364736.db2.gz RVWIPWCZSNAEEN-GFCCVEGCSA-N 0 0 279.380 2.727 20 10 CFCDRN CCc1cccc(CN2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1O ZINC000848911218 633397028 /nfs/dbraw/zinc/39/70/28/633397028.db2.gz RZNGIKVZRSBGLL-NRKGENKXSA-N 0 0 295.448 2.686 20 10 CFCDRN Cc1noc(CN(C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848927578 633410136 /nfs/dbraw/zinc/41/01/36/633410136.db2.gz IJPUWPVDMNSYBX-WAYWQWQTSA-N 0 0 286.379 2.589 20 10 CFCDRN C[C@@H](O)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000848928641 633412527 /nfs/dbraw/zinc/41/25/27/633412527.db2.gz JLKMVUZPXGMJSB-MRVPVSSYSA-N 0 0 273.735 2.530 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)ccc1O)N1CCCCC1 ZINC000849048610 633480308 /nfs/dbraw/zinc/48/03/08/633480308.db2.gz KGWWQWKKHGXDSO-UHFFFAOYSA-N 0 0 267.760 2.556 20 10 CFCDRN C[C@H]1CCCN(C(=[NH2+])NCc2cc(Cl)ccc2O)C1 ZINC000849049580 633480782 /nfs/dbraw/zinc/48/07/82/633480782.db2.gz SDHLUCUDONAYLJ-JTQLQIEISA-N 0 0 281.787 2.802 20 10 CFCDRN Cc1cc(O)c(CNc2ccc3c(n2)OCCO3)cc1C ZINC000849347640 633624869 /nfs/dbraw/zinc/62/48/69/633624869.db2.gz SNYMZCLMDMSIAP-UHFFFAOYSA-N 0 0 286.331 2.787 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000849415956 633632410 /nfs/dbraw/zinc/63/24/10/633632410.db2.gz IXOIGMSQMAXJEW-LBPRGKRZSA-N 0 0 292.379 2.799 20 10 CFCDRN O=C1OCC[C@@H]1CCSc1ncc(Cl)s1 ZINC000850000457 633786201 /nfs/dbraw/zinc/78/62/01/633786201.db2.gz VSNQRSXNGRQIPD-ZCFIWIBFSA-N 0 0 263.771 2.842 20 10 CFCDRN C[C@H](CSc1ncc(Cl)s1)CS(C)(=O)=O ZINC000850000149 633786637 /nfs/dbraw/zinc/78/66/37/633786637.db2.gz KYPLNPKQQRJBJO-ZCFIWIBFSA-N 0 0 285.843 2.569 20 10 CFCDRN O=[N+]([O-])c1cnn(CCSc2ncc(Cl)s2)c1 ZINC000850000220 633786713 /nfs/dbraw/zinc/78/67/13/633786713.db2.gz MTNPPZYGPCARSN-UHFFFAOYSA-N 0 0 290.757 2.694 20 10 CFCDRN COC[C@@H](CSc1ncc(Cl)s1)OC ZINC000850001505 633788040 /nfs/dbraw/zinc/78/80/40/633788040.db2.gz IGSHGDYGZNBJIR-LURJTMIESA-N 0 0 253.776 2.550 20 10 CFCDRN COc1cc(CNCc2cocn2)c(O)c(C(C)(C)C)c1 ZINC000850129740 633849818 /nfs/dbraw/zinc/84/98/18/633849818.db2.gz MBRXVEXCWAUMNU-UHFFFAOYSA-N 0 0 290.363 2.976 20 10 CFCDRN CCC[C@H](C(=O)OCC(=O)C(C)=O)c1ccc(Cl)cc1 ZINC000850334606 633944837 /nfs/dbraw/zinc/94/48/37/633944837.db2.gz LFFHJFFTPPIPGM-ZDUSSCGKSA-N 0 0 296.750 2.925 20 10 CFCDRN C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000850381156 633967557 /nfs/dbraw/zinc/96/75/57/633967557.db2.gz VHDSYEVFBWDFRB-LBPRGKRZSA-N 0 0 286.278 2.825 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850393210 633974577 /nfs/dbraw/zinc/97/45/77/633974577.db2.gz PYBRTQHNTSOLQM-PEGIJTEDSA-N 0 0 282.727 2.842 20 10 CFCDRN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850481734 634012050 /nfs/dbraw/zinc/01/20/50/634012050.db2.gz JJSLKMWESQZFMS-WCBMZHEXSA-N 0 0 271.307 2.889 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000850484554 634013812 /nfs/dbraw/zinc/01/38/12/634013812.db2.gz LBOCKUDVCZWQFL-PJODQICGSA-N 0 0 297.370 2.624 20 10 CFCDRN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850521541 634028374 /nfs/dbraw/zinc/02/83/74/634028374.db2.gz VXUITDHACRGMQD-WRWORJQWSA-N 0 0 293.260 2.745 20 10 CFCDRN CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850528069 634036172 /nfs/dbraw/zinc/03/61/72/634036172.db2.gz FBYGWFVIQKBZRS-DTWKUNHWSA-N 0 0 277.286 2.833 20 10 CFCDRN CCCC[C@@H](COC)NC(=O)NCc1cc(C)ccc1O ZINC000858233204 636160039 /nfs/dbraw/zinc/16/00/39/636160039.db2.gz IJUCHMPZLBCDFM-AWEZNQCLSA-N 0 0 294.395 2.705 20 10 CFCDRN C[C@@H]1C[C@@H](NCc2ncccn2)c2c1c(F)ccc2O ZINC000850553154 634050792 /nfs/dbraw/zinc/05/07/92/634050792.db2.gz UWFBNADZWLCWHF-MWLCHTKSSA-N 0 0 273.311 2.659 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2ncccn2)cc1 ZINC000850553441 634050954 /nfs/dbraw/zinc/05/09/54/634050954.db2.gz ZCXHEHNJGGAOMK-ZDUSSCGKSA-N 0 0 270.380 2.784 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000850577998 634058614 /nfs/dbraw/zinc/05/86/14/634058614.db2.gz FFKBQIGJCNGOTJ-IWSPIJDZSA-N 0 0 275.270 2.585 20 10 CFCDRN CC[C@H](COCC1CC1)NC(=O)Nc1ccc(N)cc1 ZINC000850752123 634079537 /nfs/dbraw/zinc/07/95/37/634079537.db2.gz LFOPYTXJQMMJSH-CYBMUJFWSA-N 0 0 277.368 2.596 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(F)ncn1 ZINC000853451055 635003245 /nfs/dbraw/zinc/00/32/45/635003245.db2.gz XPMYIKZAZJLHLI-UHFFFAOYSA-N 0 0 261.300 2.738 20 10 CFCDRN Cc1cc(COc2ccc(N(C)C)cc2)nc(C)n1 ZINC000853693874 635077205 /nfs/dbraw/zinc/07/72/05/635077205.db2.gz VBJAOKOZELJNQM-UHFFFAOYSA-N 0 0 257.337 2.738 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000853749321 635092773 /nfs/dbraw/zinc/09/27/73/635092773.db2.gz PCJBLZMIDPDGDP-UKRRQHHQSA-N 0 0 287.407 2.612 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC2CC1(C)C2 ZINC000853748595 635092826 /nfs/dbraw/zinc/09/28/26/635092826.db2.gz HOFZHXDRLBSRKG-UHFFFAOYSA-N 0 0 287.407 2.755 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ncccc3F)C2)cc1 ZINC000853759413 635096653 /nfs/dbraw/zinc/09/66/53/635096653.db2.gz UBZHLGLSZNERRN-GFCCVEGCSA-N 0 0 287.338 2.920 20 10 CFCDRN COc1ccc(N2CC[C@H](Nc3ccccn3)C2)cc1 ZINC000853759762 635097985 /nfs/dbraw/zinc/09/79/85/635097985.db2.gz ZLPYIGVYFAOYHK-ZDUSSCGKSA-N 0 0 269.348 2.781 20 10 CFCDRN CO[C@@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000854135343 635223227 /nfs/dbraw/zinc/22/32/27/635223227.db2.gz ZYQVSMXLAZSGCE-WCQYABFASA-N 0 0 273.336 2.525 20 10 CFCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])CC(C)(C)C)cc1F ZINC000854243843 635270470 /nfs/dbraw/zinc/27/04/70/635270470.db2.gz FDYUWAMQWQCEOE-UHFFFAOYSA-N 0 0 296.386 2.824 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1O)CC(=O)[O-] ZINC000854243948 635270726 /nfs/dbraw/zinc/27/07/26/635270726.db2.gz IXUPAUUVPGTHTR-NSHDSACASA-N 0 0 283.343 2.758 20 10 CFCDRN CCC/C=C\C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 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[O-]c1ccc(Cl)c(F)c1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230942 642083961 /nfs/dbraw/zinc/08/39/61/642083961.db2.gz AJPNXAWPCIADLU-TZMCWYRMSA-N 0 0 284.762 2.559 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000124722267 642308244 /nfs/dbraw/zinc/30/82/44/642308244.db2.gz LDZOBOLUJUBULV-JTQLQIEISA-N 0 0 255.745 2.562 20 10 CFCDRN CCOc1ccc(CC(=O)Nc2ccc(N)cc2)cc1 ZINC000020327117 642360335 /nfs/dbraw/zinc/36/03/35/642360335.db2.gz DVQTXORHHNBQIM-UHFFFAOYSA-N 0 0 270.332 2.849 20 10 CFCDRN CC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874263038 642360990 /nfs/dbraw/zinc/36/09/90/642360990.db2.gz QOTZOXYJKOSPLD-SECBINFHSA-N 0 0 262.313 2.720 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC23CCC3)cc1 ZINC000874772183 642474259 /nfs/dbraw/zinc/47/42/59/642474259.db2.gz JIOAQJVGNVYRGH-LLVKDONJSA-N 0 0 272.308 2.521 20 10 CFCDRN O=C(NCC1CCSCC1)N1Cc2cccc(O)c2C1 ZINC000875282437 642603351 /nfs/dbraw/zinc/60/33/51/642603351.db2.gz PVGABIDQHVBBAW-UHFFFAOYSA-N 0 0 292.404 2.561 20 10 CFCDRN CCSCC[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875328130 642607295 /nfs/dbraw/zinc/60/72/95/642607295.db2.gz HLINDZJJAUKFFD-NSHDSACASA-N 0 0 294.420 2.949 20 10 CFCDRN CC(C)(F)CNC(=O)NCCCSc1nccs1 ZINC000875374550 642614922 /nfs/dbraw/zinc/61/49/22/642614922.db2.gz LOFXRLRSUJVTCE-UHFFFAOYSA-N 0 0 291.417 2.673 20 10 CFCDRN CC[C@@H](CSC)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875458950 642625835 /nfs/dbraw/zinc/62/58/35/642625835.db2.gz LRUHEIJMEKBEMX-NSHDSACASA-N 0 0 280.393 2.559 20 10 CFCDRN O=C(NC[C@@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875553951 642642144 /nfs/dbraw/zinc/64/21/44/642642144.db2.gz JNIIGFBJBPVPTN-SNVBAGLBSA-N 0 0 296.317 2.853 20 10 CFCDRN CCSCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875561656 642643549 /nfs/dbraw/zinc/64/35/49/642643549.db2.gz ZCZVPGHROPSYIT-UHFFFAOYSA-N 0 0 280.393 2.561 20 10 CFCDRN Cc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)nc1 ZINC000875687308 642665981 /nfs/dbraw/zinc/66/59/81/642665981.db2.gz IJAVAMNGNHCIPR-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)CC(F)F ZINC000875688582 642666053 /nfs/dbraw/zinc/66/60/53/642666053.db2.gz OJKDOWVJYKNPFZ-VIFPVBQESA-N 0 0 284.306 2.709 20 10 CFCDRN C/C=C/CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000875876954 642704811 /nfs/dbraw/zinc/70/48/11/642704811.db2.gz VVFVTRZLTXUVHS-FNORWQNLSA-N 0 0 275.396 2.860 20 10 CFCDRN Cc1cc(CNC(=O)N2CCCO2)c(C)n1-c1ccccc1 ZINC000875880076 642705487 /nfs/dbraw/zinc/70/54/87/642705487.db2.gz GWUJYZOOSPBZOZ-UHFFFAOYSA-N 0 0 299.374 2.941 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC12CC2 ZINC000875947340 642723909 /nfs/dbraw/zinc/72/39/09/642723909.db2.gz ORORGMAYVTVPPM-AWEZNQCLSA-N 0 0 274.364 2.866 20 10 CFCDRN COc1cc(N(C)Cc2cc(C)on2)cc(OC)c1OC ZINC000125748430 642766785 /nfs/dbraw/zinc/76/67/85/642766785.db2.gz MFCQJBGOAIPXAV-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000086755447 650797429 /nfs/dbraw/zinc/79/74/29/650797429.db2.gz CYNUWJWQMAWJFL-CYBMUJFWSA-N 0 0 293.363 2.620 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2ccc(Cl)nn2)cc1 ZINC000876512015 642900258 /nfs/dbraw/zinc/90/02/58/642900258.db2.gz YJCNONINWHIICS-UHFFFAOYSA-N 0 0 290.798 2.828 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C(C)C ZINC000086399754 650796758 /nfs/dbraw/zinc/79/67/58/650796758.db2.gz ILOYWYQVQZVCNB-UHFFFAOYSA-N 0 0 263.385 2.611 20 10 CFCDRN CCCCC[N@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876564944 642926714 /nfs/dbraw/zinc/92/67/14/642926714.db2.gz OSELWLZXXTVMGE-UHFFFAOYSA-N 0 0 273.323 2.655 20 10 CFCDRN CC(C)[NH2+]C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876661671 642962462 /nfs/dbraw/zinc/96/24/62/642962462.db2.gz HNHKMVWBJOCFQS-UHFFFAOYSA-N 0 0 284.350 2.633 20 10 CFCDRN CCC[N@H+](Cc1ccc(F)c(F)c1[O-])CC(C)(C)O ZINC000876692138 642977115 /nfs/dbraw/zinc/97/71/15/642977115.db2.gz XSVFHPWPNLCMAW-UHFFFAOYSA-N 0 0 273.323 2.653 20 10 CFCDRN Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(O)c1 ZINC000876746266 642991010 /nfs/dbraw/zinc/99/10/10/642991010.db2.gz JOPCZDNDTCUCJA-GOSISDBHSA-N 0 0 299.370 2.980 20 10 CFCDRN Cc1ccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876771016 643004359 /nfs/dbraw/zinc/00/43/59/643004359.db2.gz STBSSCMWXRXGOQ-GWCFXTLKSA-N 0 0 289.297 2.852 20 10 CFCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1[N+](=O)[O-] ZINC000126214378 643051844 /nfs/dbraw/zinc/05/18/44/643051844.db2.gz QRMIQIIDRNCADN-UHFFFAOYSA-N 0 0 288.259 2.567 20 10 CFCDRN CCc1ccccc1NC(=O)c1cccc(O)c1O ZINC000126227997 643055599 /nfs/dbraw/zinc/05/55/99/643055599.db2.gz AVZAUMVRZCJUFW-UHFFFAOYSA-N 0 0 257.289 2.913 20 10 CFCDRN Cc1ccc(CN(C)C(=O)c2cccc(O)c2O)cc1 ZINC000126236989 643058718 /nfs/dbraw/zinc/05/87/18/643058718.db2.gz NTGUPGCSLSAGTK-UHFFFAOYSA-N 0 0 271.316 2.678 20 10 CFCDRN Cc1nocc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000888733113 643064718 /nfs/dbraw/zinc/06/47/18/643064718.db2.gz AHWPOHUMTZYHEL-SNVBAGLBSA-N 0 0 288.351 2.932 20 10 CFCDRN CC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC1 ZINC000876926612 643067526 /nfs/dbraw/zinc/06/75/26/643067526.db2.gz ALLZCEPUJAACRT-GFCCVEGCSA-N 0 0 284.350 2.634 20 10 CFCDRN C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876974929 643089087 /nfs/dbraw/zinc/08/90/87/643089087.db2.gz XVQVMUSQCCZCKZ-SSDOTTSWSA-N 0 0 299.239 2.727 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877019228 643106473 /nfs/dbraw/zinc/10/64/73/643106473.db2.gz WKQWSSDXSHADAK-QMMMGPOBSA-N 0 0 281.306 2.563 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877064917 643130388 /nfs/dbraw/zinc/13/03/88/643130388.db2.gz GFEYFLWJCBMIOL-GXSJLCMTSA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000877067513 643132227 /nfs/dbraw/zinc/13/22/27/643132227.db2.gz JHJPAZKKXQPICY-NSHDSACASA-N 0 0 273.323 2.821 20 10 CFCDRN CN(C(=O)c1ccc(NC2CC2)nc1)c1ccc(N)cc1 ZINC000877077752 643139720 /nfs/dbraw/zinc/13/97/20/643139720.db2.gz SUFLRUXRQGQQAU-UHFFFAOYSA-N 0 0 282.347 2.515 20 10 CFCDRN COC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877080646 643140305 /nfs/dbraw/zinc/14/03/05/643140305.db2.gz LJCBCFCADJEHLD-NSHDSACASA-N 0 0 283.274 2.741 20 10 CFCDRN C[C@@H](c1cccs1)N(C)C(=O)c1cccc(O)c1O ZINC000126324765 643145361 /nfs/dbraw/zinc/14/53/61/643145361.db2.gz SZPXFQNWEMPKFP-VIFPVBQESA-N 0 0 277.345 2.993 20 10 CFCDRN Cc1c(F)cccc1NC(=O)c1cccc(O)c1O ZINC000126347980 643154529 /nfs/dbraw/zinc/15/45/29/643154529.db2.gz SFFAXBKMQJIRMW-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(N2CCCC2=O)cn1 ZINC000877116317 643158672 /nfs/dbraw/zinc/15/86/72/643158672.db2.gz LYVJHLUCGDUGGC-UHFFFAOYSA-N 0 0 297.358 2.835 20 10 CFCDRN Cc1cnccc1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877117787 643159836 /nfs/dbraw/zinc/15/98/36/643159836.db2.gz WKYRAOZHPQLQMM-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN CCC1(O)CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877135182 643170588 /nfs/dbraw/zinc/17/05/88/643170588.db2.gz SGUQICNQIBDRKK-UHFFFAOYSA-N 0 0 285.334 2.844 20 10 CFCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000877139695 643173748 /nfs/dbraw/zinc/17/37/48/643173748.db2.gz WSVKKCCUQDFDMR-WCQYABFASA-N 0 0 299.361 2.899 20 10 CFCDRN Cc1cccc(O)c1CN(C)Cc1ncc(Cl)n1C ZINC000877168163 643186782 /nfs/dbraw/zinc/18/67/82/643186782.db2.gz HXJFFECYKOMEPG-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN Cc1ccc(CN(C)Cc2ncc(Cl)n2C)c(O)c1 ZINC000877168550 643186976 /nfs/dbraw/zinc/18/69/76/643186976.db2.gz NYJZIHCFNOSIDQ-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN Cc1nn(C)c2ncc(NCc3c(C)cccc3O)cc12 ZINC000877180585 643192242 /nfs/dbraw/zinc/19/22/42/643192242.db2.gz PGCKEOXYXRPBTK-UHFFFAOYSA-N 0 0 282.347 2.903 20 10 CFCDRN Cc1cccc2c1C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)N2 ZINC000877257892 643216171 /nfs/dbraw/zinc/21/61/71/643216171.db2.gz TUWPPXURRKSZPU-LRDDRELGSA-N 0 0 296.370 2.915 20 10 CFCDRN Cc1cccc2c1C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N2 ZINC000877257891 643216355 /nfs/dbraw/zinc/21/63/55/643216355.db2.gz TUWPPXURRKSZPU-BLLLJJGKSA-N 0 0 296.370 2.915 20 10 CFCDRN C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@H]1C1CC1 ZINC000877316807 643234215 /nfs/dbraw/zinc/23/42/15/643234215.db2.gz PNQFTPAQLLCAHJ-LSDHHAIUSA-N 0 0 283.318 2.718 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)ccc(F)c1F ZINC000877374514 643249770 /nfs/dbraw/zinc/24/97/70/643249770.db2.gz BNRVXYCAXLGITB-DGCLKSJQSA-N 0 0 283.318 2.718 20 10 CFCDRN [O-]c1c(C[NH2+]CCOCC2CCC2)ccc(F)c1F ZINC000877374293 643250195 /nfs/dbraw/zinc/25/01/95/643250195.db2.gz DIUHSQLUNUVGRG-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000877394577 643256984 /nfs/dbraw/zinc/25/69/84/643256984.db2.gz FHSJQXYIUFWGJP-CVEARBPZSA-N 0 0 297.345 2.965 20 10 CFCDRN Nc1ccc(CC(=O)Nc2ccc3c(n2)CCCC3)cc1 ZINC000877436849 643271549 /nfs/dbraw/zinc/27/15/49/643271549.db2.gz YYMBFJAKZQACGM-UHFFFAOYSA-N 0 0 281.359 2.724 20 10 CFCDRN CO[C@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC000877466277 643286664 /nfs/dbraw/zinc/28/66/64/643286664.db2.gz HELPANKKBRFVSF-SECBINFHSA-N 0 0 299.239 2.727 20 10 CFCDRN CCOC1CC(CC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877468198 643288045 /nfs/dbraw/zinc/28/80/45/643288045.db2.gz BJTQIQDMTPPGDY-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CC[C@@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000126540442 643290424 /nfs/dbraw/zinc/29/04/24/643290424.db2.gz LBZPSNHNMAOCMS-LLVKDONJSA-N 0 0 263.337 2.893 20 10 CFCDRN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487168 643301690 /nfs/dbraw/zinc/30/16/90/643301690.db2.gz VVGTVYBPSRTVRB-CMPLNLGQSA-N 0 0 285.334 2.796 20 10 CFCDRN [O-]c1c(C[N@H+]2CCCCC[C@H]2CCO)ccc(F)c1F ZINC000877507184 643317386 /nfs/dbraw/zinc/31/73/86/643317386.db2.gz MNRLGYXCCIDXIN-LBPRGKRZSA-N 0 0 285.334 2.797 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)ccc(F)c1F ZINC000877565909 643365187 /nfs/dbraw/zinc/36/51/87/643365187.db2.gz BCSSNULZJPKVAE-DOMZBBRYSA-N 0 0 297.345 2.557 20 10 CFCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877583116 643379086 /nfs/dbraw/zinc/37/90/86/643379086.db2.gz DSJISKOBQIEJME-PHIMTYICSA-N 0 0 271.307 2.716 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877596674 643389793 /nfs/dbraw/zinc/38/97/93/643389793.db2.gz VWMAJFPHUGQKKO-WDEREUQCSA-N 0 0 271.307 2.718 20 10 CFCDRN COCC1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877604067 643391899 /nfs/dbraw/zinc/39/18/99/643391899.db2.gz HSJGQAHPNYYCHR-UHFFFAOYSA-N 0 0 271.307 2.577 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)ccc(F)c1F ZINC000877619240 643405377 /nfs/dbraw/zinc/40/53/77/643405377.db2.gz SWEMNCPLJFZOFZ-KGLIPLIRSA-N 0 0 296.361 2.777 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@]23C[C@@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000877685789 643454696 /nfs/dbraw/zinc/45/46/96/643454696.db2.gz GVWVSDSMBNTBAM-NHYWBVRUSA-N 0 0 292.335 2.731 20 10 CFCDRN CCc1nn(C)c(Cl)c1CN1Cc2cccc(O)c2C1 ZINC000877702766 643467560 /nfs/dbraw/zinc/46/75/60/643467560.db2.gz HBTXKPSDUBRCCI-UHFFFAOYSA-N 0 0 291.782 2.857 20 10 CFCDRN Oc1cccc2c1CN(Cc1nccn1CC(F)(F)F)C2 ZINC000877704018 643469630 /nfs/dbraw/zinc/46/96/30/643469630.db2.gz WSVXOIOLACTGEB-UHFFFAOYSA-N 0 0 297.280 2.667 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc(F)c1F ZINC000877737992 643500852 /nfs/dbraw/zinc/50/08/52/643500852.db2.gz MBDVXNRIKJFOIN-WDEREUQCSA-N 0 0 285.359 2.855 20 10 CFCDRN CC1(C)C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877751312 643527808 /nfs/dbraw/zinc/52/78/08/643527808.db2.gz BHWLMBKLNGHLOK-LLVKDONJSA-N 0 0 269.772 2.638 20 10 CFCDRN CC(C)(C)OC1CN(Cc2cc(F)ccc2O)C1 ZINC000877769601 643547684 /nfs/dbraw/zinc/54/76/84/643547684.db2.gz FQPHJCYCNSLYGW-UHFFFAOYSA-N 0 0 253.317 2.531 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877778869 643555124 /nfs/dbraw/zinc/55/51/24/643555124.db2.gz VOQDGBNKVHLHOU-LBPRGKRZSA-N 0 0 277.755 2.867 20 10 CFCDRN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877836470 643603232 /nfs/dbraw/zinc/60/32/32/643603232.db2.gz YCFXLIBWEBMYOS-SNVBAGLBSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccc([C@@H]2Nc3cc(C)ccc3C(=O)N2)c(O)c1 ZINC000877863628 643612186 /nfs/dbraw/zinc/61/21/86/643612186.db2.gz IUQFJTGOCUJRRH-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN CC1(C)CO[C@@H](CCC(=O)NCc2ccccc2O)C1 ZINC000878559636 643941573 /nfs/dbraw/zinc/94/15/73/643941573.db2.gz MRSDISAHVCYBDH-ZDUSSCGKSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1nccnc1C)CCC2 ZINC000878712141 644001623 /nfs/dbraw/zinc/00/16/23/644001623.db2.gz VWQDWZVSKCUMJG-UHFFFAOYSA-N 0 0 299.374 2.755 20 10 CFCDRN CCc1cc(NC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC000878781809 644024213 /nfs/dbraw/zinc/02/42/13/644024213.db2.gz PCVUVAJVINYJHJ-VIFPVBQESA-N 0 0 275.308 2.825 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2c[nH]cc2C2CC2)c1 ZINC000878852144 644051965 /nfs/dbraw/zinc/05/19/65/644051965.db2.gz DWJFAIJBBQWKGN-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN CCOc1ccc(N(Cc2cnnn2C)CC2CC2)cc1 ZINC000879117266 644148754 /nfs/dbraw/zinc/14/87/54/644148754.db2.gz NEMATYSQYXUPQX-UHFFFAOYSA-N 0 0 286.379 2.630 20 10 CFCDRN COc1ccc(N2CCN(C/C=C\Cl)CC2)c(OC)c1 ZINC000879461518 644280484 /nfs/dbraw/zinc/28/04/84/644280484.db2.gz DXCONMIGONMKCJ-UTCJRWHESA-N 0 0 296.798 2.578 20 10 CFCDRN C[C@@H](NCc1noc(C2CC2)n1)c1ccccc1O ZINC000879648706 644362499 /nfs/dbraw/zinc/36/24/99/644362499.db2.gz AEMUCDHIANVSBJ-SECBINFHSA-N 0 0 259.309 2.503 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)nc1 ZINC000128422427 644705970 /nfs/dbraw/zinc/70/59/70/644705970.db2.gz AQXSJEZKVMQQPA-UHFFFAOYSA-N 0 0 275.283 2.590 20 10 CFCDRN C[N@H+](CCOCC1CC1)Cc1cc(Cl)ccc1O ZINC000093818552 650947084 /nfs/dbraw/zinc/94/70/84/650947084.db2.gz YTUHWVDXENGPJP-UHFFFAOYSA-N 0 0 269.772 2.904 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc(C2CC2)o1 ZINC000880540072 644757188 /nfs/dbraw/zinc/75/71/88/644757188.db2.gz QKBIZXOFCMPKAE-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)cn2)cc1 ZINC000128503040 644771882 /nfs/dbraw/zinc/77/18/82/644771882.db2.gz NGMXIUFWRIQFOV-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C(F)F ZINC000881283039 644942567 /nfs/dbraw/zinc/94/25/67/644942567.db2.gz VJZDMSBOKHDGJR-SNVBAGLBSA-N 0 0 297.349 2.522 20 10 CFCDRN CC/C=C\CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881306013 644947983 /nfs/dbraw/zinc/94/79/83/644947983.db2.gz FZYKVSBQHUGYJQ-ARJAWSKDSA-N 0 0 272.352 2.796 20 10 CFCDRN C[C@H](CN(C)C(=O)c1c(F)ccc(O)c1O)C(C)(C)C ZINC000881461845 644980690 /nfs/dbraw/zinc/98/06/90/644980690.db2.gz IVUCAMXIZWAKDI-SECBINFHSA-N 0 0 283.343 2.991 20 10 CFCDRN CCCOc1ccnc(NCc2cccc(OC)c2O)n1 ZINC000881909127 645151820 /nfs/dbraw/zinc/15/18/20/645151820.db2.gz GMOHKPWSXLWJOT-UHFFFAOYSA-N 0 0 289.335 2.592 20 10 CFCDRN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000251535391 650989673 /nfs/dbraw/zinc/98/96/73/650989673.db2.gz NNEGZXCXRUSLMP-GAJTVXKRSA-N 0 0 253.317 2.749 20 10 CFCDRN Cc1ccc(O)c(CNc2cc(C3CC3)ncn2)c1 ZINC000882651781 645400962 /nfs/dbraw/zinc/40/09/62/645400962.db2.gz JPNIRPSIEMGLJF-UHFFFAOYSA-N 0 0 255.321 2.980 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000882968802 645534293 /nfs/dbraw/zinc/53/42/93/645534293.db2.gz YPICIEZLRYEBCD-CQSZACIVSA-N 0 0 285.334 2.701 20 10 CFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccncc1 ZINC000130672364 645546686 /nfs/dbraw/zinc/54/66/86/645546686.db2.gz YMJVXFPHEKDERY-ZDUSSCGKSA-N 0 0 284.359 2.939 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cn1 ZINC000882991630 645548328 /nfs/dbraw/zinc/54/83/28/645548328.db2.gz FKOKDKWQMNPVHX-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC[C@@H]1O ZINC000883027404 645569548 /nfs/dbraw/zinc/56/95/48/645569548.db2.gz AEMUYWJQGPVSLF-ZFWWWQNUSA-N 0 0 285.334 2.701 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1cnc2c(c1)COCC2 ZINC000883084269 645598032 /nfs/dbraw/zinc/59/80/32/645598032.db2.gz MEQXAAFDDGGPPC-UHFFFAOYSA-N 0 0 292.285 2.750 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000883102743 645605577 /nfs/dbraw/zinc/60/55/77/645605577.db2.gz ZSTPSRYXTXLJJA-ZDUSSCGKSA-N 0 0 273.323 2.556 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000883105144 645606708 /nfs/dbraw/zinc/60/67/08/645606708.db2.gz ZCCDRYAYRHQTQW-CQSZACIVSA-N 0 0 296.361 2.777 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883111402 645608536 /nfs/dbraw/zinc/60/85/36/645608536.db2.gz CFZHHXGFXDBZIQ-STQMWFEESA-N 0 0 271.307 2.718 20 10 CFCDRN CCc1noc(C)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883130325 645617510 /nfs/dbraw/zinc/61/75/10/645617510.db2.gz AEDOIOPJPMPJQM-UHFFFAOYSA-N 0 0 282.290 2.819 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883146836 645625495 /nfs/dbraw/zinc/62/54/95/645625495.db2.gz ATULSJCIAHMNGO-VXGBXAGGSA-N 0 0 271.307 2.718 20 10 CFCDRN CC(C)CC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883188162 645650141 /nfs/dbraw/zinc/65/01/41/645650141.db2.gz FXCNIFOUBRCGGN-GFCCVEGCSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000883202798 645660371 /nfs/dbraw/zinc/66/03/71/645660371.db2.gz KWBPWRSUTWJVAI-DUFXMDAXSA-N 0 0 283.318 2.718 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCN1CC)c1ccc(F)cc1[O-] ZINC000883355186 645759931 /nfs/dbraw/zinc/75/99/31/645759931.db2.gz LBQRCIPUGKXQOZ-OCCSQVGLSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000883508914 645865443 /nfs/dbraw/zinc/86/54/43/645865443.db2.gz JZJYHVQCRWZKCC-FUHWJXTLSA-N 0 0 280.371 2.863 20 10 CFCDRN COc1ccc(N(C)CCOCC2CC2)c(OC)c1 ZINC000132161909 645886704 /nfs/dbraw/zinc/88/67/04/645886704.db2.gz URGPQWXVBMFHNR-UHFFFAOYSA-N 0 0 265.353 2.567 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1C=CCC1 ZINC000883784606 645970946 /nfs/dbraw/zinc/97/09/46/645970946.db2.gz XAPYRPXCPZRFKI-JTQLQIEISA-N 0 0 280.755 2.811 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000133743661 646218814 /nfs/dbraw/zinc/21/88/14/646218814.db2.gz KWUBMDYJEQVYBZ-UHFFFAOYSA-N 0 0 287.275 2.622 20 10 CFCDRN O=C(/C=C/c1ccccc1)NCc1ccccc1O ZINC000133933230 646256916 /nfs/dbraw/zinc/25/69/16/646256916.db2.gz RALPIIOGKDMBGT-ZHACJKMWSA-N 0 0 253.301 2.722 20 10 CFCDRN CC1=C(C(=O)NCCCSc2nccs2)CCCO1 ZINC000134069018 646273199 /nfs/dbraw/zinc/27/31/99/646273199.db2.gz WJVCWHOJXNKNGG-UHFFFAOYSA-N 0 0 298.433 2.826 20 10 CFCDRN Cc1cccc(CC(=O)NCc2ccccc2O)c1 ZINC000134268492 646316870 /nfs/dbraw/zinc/31/68/70/646316870.db2.gz DPXXWDJWAPRGGA-UHFFFAOYSA-N 0 0 255.317 2.560 20 10 CFCDRN Oc1c(Br)cccc1CNc1nncs1 ZINC000134423275 646343174 /nfs/dbraw/zinc/34/31/74/646343174.db2.gz LDNVWMMMKKGEQN-UHFFFAOYSA-N 0 0 286.154 2.618 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2[nH]ccc2c1 ZINC000134465282 646348959 /nfs/dbraw/zinc/34/89/59/646348959.db2.gz DOPXKSRVWDRURY-UHFFFAOYSA-N 0 0 266.300 2.804 20 10 CFCDRN C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(F)cc1[O-] ZINC000135065702 646453065 /nfs/dbraw/zinc/45/30/65/646453065.db2.gz GEQZNSZUUFUXML-LLVKDONJSA-N 0 0 267.344 2.735 20 10 CFCDRN COC(=O)/C=C/c1ccc(N(C)CCCF)c([N+](=O)[O-])c1 ZINC000884855551 646560275 /nfs/dbraw/zinc/56/02/75/646560275.db2.gz KCMNGLWCIQVXOM-FNORWQNLSA-N 0 0 296.298 2.577 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C2CCOCC2)C1 ZINC000886157231 646900535 /nfs/dbraw/zinc/90/05/35/646900535.db2.gz WURMKOAKIZEFFK-LBPRGKRZSA-N 0 0 295.404 2.733 20 10 CFCDRN Oc1ccc(Cl)c(F)c1CNc1n[nH]c2c1COCC2 ZINC000886205995 646921421 /nfs/dbraw/zinc/92/14/21/646921421.db2.gz FXNIIWMYAFFRFH-UHFFFAOYSA-N 0 0 297.717 2.593 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1c([O-])cccc1F ZINC000886498541 647020073 /nfs/dbraw/zinc/02/00/73/647020073.db2.gz FYWXKGYVWGWDSW-SKDRFNHKSA-N 0 0 265.284 2.509 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1c([O-])cccc1F ZINC000886507238 647023669 /nfs/dbraw/zinc/02/36/69/647023669.db2.gz BKUHHFYQVXOZRO-GWCFXTLKSA-N 0 0 266.360 2.522 20 10 CFCDRN Cc1noc(C)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886512234 647024293 /nfs/dbraw/zinc/02/42/93/647024293.db2.gz AAIAPISTHFXIJQ-SECBINFHSA-N 0 0 264.300 2.987 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886520519 647026532 /nfs/dbraw/zinc/02/65/32/647026532.db2.gz GQOLLHHJMJWUBW-JTQLQIEISA-N 0 0 277.343 2.732 20 10 CFCDRN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1c([O-])cccc1F ZINC000886520287 647026948 /nfs/dbraw/zinc/02/69/48/647026948.db2.gz ARMGSHXKMGKTAQ-LLVKDONJSA-N 0 0 277.343 2.548 20 10 CFCDRN Cc1cc(CN[C@@H](C)c2c(O)cccc2F)on1 ZINC000886522675 647028291 /nfs/dbraw/zinc/02/82/91/647028291.db2.gz OSEWLTAXTCRJRQ-VIFPVBQESA-N 0 0 250.273 2.679 20 10 CFCDRN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526000 647029042 /nfs/dbraw/zinc/02/90/42/647029042.db2.gz CJHMGNAPDFCDDC-OPQQBVKSSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534219 647033962 /nfs/dbraw/zinc/03/39/62/647033962.db2.gz DGUFMDFIAHBCGH-SDDRHHMPSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1c([O-])cccc1F ZINC000886538277 647037046 /nfs/dbraw/zinc/03/70/46/647037046.db2.gz FOIIXYNUPJLODT-MJVIPROJSA-N 0 0 278.371 2.665 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1c([O-])cccc1F ZINC000886540879 647037362 /nfs/dbraw/zinc/03/73/62/647037362.db2.gz MFJHYUZZPCPBAK-VXGBXAGGSA-N 0 0 293.338 2.626 20 10 CFCDRN Cc1noc(CCC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886545432 647042363 /nfs/dbraw/zinc/04/23/63/647042363.db2.gz MJSXAIGMXOEPEU-SECBINFHSA-N 0 0 279.315 2.506 20 10 CFCDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1c([O-])cccc1F ZINC000886568143 647049651 /nfs/dbraw/zinc/04/96/51/647049651.db2.gz BQGLXYVAUVDTIF-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@@H]([NH2+]CCOC1CCC1)c1c([O-])cccc1F ZINC000886576276 647052492 /nfs/dbraw/zinc/05/24/92/647052492.db2.gz BVAHMDUNOFBASG-SNVBAGLBSA-N 0 0 253.317 2.751 20 10 CFCDRN COC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886587956 647055601 /nfs/dbraw/zinc/05/56/01/647055601.db2.gz IQPVWBUBVGZYKH-SNVBAGLBSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886587653 647055665 /nfs/dbraw/zinc/05/56/65/647055665.db2.gz CEUDMIZQLRGJEA-QWRGUYRKSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886587651 647055725 /nfs/dbraw/zinc/05/57/25/647055725.db2.gz CEUDMIZQLRGJEA-GHMZBOCLSA-N 0 0 253.317 2.609 20 10 CFCDRN Cc1nnc(CN[C@@H](C)c2c(O)cccc2F)s1 ZINC000886588323 647056709 /nfs/dbraw/zinc/05/67/09/647056709.db2.gz OZVYULXNMCQTEL-ZETCQYMHSA-N 0 0 267.329 2.542 20 10 CFCDRN C[C@@H]([NH2+]CC1(CO)CCCC1)c1c([O-])cccc1F ZINC000886594937 647059650 /nfs/dbraw/zinc/05/96/50/647059650.db2.gz XJDANPPNQBGBNZ-LLVKDONJSA-N 0 0 267.344 2.735 20 10 CFCDRN C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1c([O-])cccc1F ZINC000886597169 647060175 /nfs/dbraw/zinc/06/01/75/647060175.db2.gz YETBGYDUWWVKHE-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886614089 647068119 /nfs/dbraw/zinc/06/81/19/647068119.db2.gz MZVQJAXYDUIUGZ-NWDGAFQWSA-N 0 0 296.386 2.734 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886616144 647069999 /nfs/dbraw/zinc/06/99/99/647069999.db2.gz WBNNTOCQKBLUSB-NSHDSACASA-N 0 0 275.327 2.523 20 10 CFCDRN COC1CC(CC[NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886634998 647079792 /nfs/dbraw/zinc/07/97/92/647079792.db2.gz SCEQCBVUTSHUGG-VOMCLLRMSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1c([O-])cccc1F ZINC000886636353 647080767 /nfs/dbraw/zinc/08/07/67/647080767.db2.gz MCKCGIIHUKHASI-ZZMXHNAGSA-N 0 0 299.411 2.872 20 10 CFCDRN CCCN1CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886637583 647081429 /nfs/dbraw/zinc/08/14/29/647081429.db2.gz AJIBLFCKGKZUHI-RYUDHWBXSA-N 0 0 266.360 2.666 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886641144 647083483 /nfs/dbraw/zinc/08/34/83/647083483.db2.gz ANNUBBCSIOEIJS-IUPBHXKESA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799955 647143107 /nfs/dbraw/zinc/14/31/07/647143107.db2.gz ZWHINSMUTFVYAE-GXFFZTMASA-N 0 0 290.329 2.717 20 10 CFCDRN C[C@]1(NC(=O)C2=CC(=O)CS2)CCOc2ccccc21 ZINC000887058100 647200432 /nfs/dbraw/zinc/20/04/32/647200432.db2.gz GEWKBAYKGSDFBA-HNNXBMFYSA-N 0 0 289.356 2.881 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(CC(F)F)C1CCC1 ZINC000925253064 648143997 /nfs/dbraw/zinc/14/39/97/648143997.db2.gz BYYCLHIOIJQSJX-FNORWQNLSA-N 0 0 297.301 2.757 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1ccc(F)cc1[O-] ZINC000925766708 648313889 /nfs/dbraw/zinc/31/38/89/648313889.db2.gz LDWGNKUWMRNHMD-CQSZACIVSA-N 0 0 275.327 2.749 20 10 CFCDRN C[C@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927203445 648738992 /nfs/dbraw/zinc/73/89/92/648738992.db2.gz CVKZVVDPPKHRFB-BLLLJJGKSA-N 0 0 292.379 2.712 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000928705353 648944645 /nfs/dbraw/zinc/94/46/45/648944645.db2.gz HINNLNRJQIKYCV-VXGBXAGGSA-N 0 0 277.339 2.974 20 10 CFCDRN CC[C@H](OC1CCCC1)C(=O)NCc1c(O)cccc1F ZINC000928706186 648944685 /nfs/dbraw/zinc/94/46/85/648944685.db2.gz SOWUBCRWQYDFDL-HNNXBMFYSA-N 0 0 295.354 2.885 20 10 CFCDRN CC(=O)C(C)(C)CCC(=O)NCc1c(O)cccc1F ZINC000928706518 648944798 /nfs/dbraw/zinc/94/47/98/648944798.db2.gz VONMPXMUCMHLDR-UHFFFAOYSA-N 0 0 281.327 2.543 20 10 CFCDRN CC[C@H](CC(F)F)C(=O)NCc1c(O)cccc1F ZINC000928705506 648944832 /nfs/dbraw/zinc/94/48/32/648944832.db2.gz IZTHNPKMSIEXLH-MRVPVSSYSA-N 0 0 275.270 2.829 20 10 CFCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2c(O)cccc2F)CCO1 ZINC000928707745 648945201 /nfs/dbraw/zinc/94/52/01/648945201.db2.gz HODAEDYFMYSEEE-NWDGAFQWSA-N 0 0 295.354 2.743 20 10 CFCDRN Cc1csc([C@@H](C)C(=O)NCc2c(O)cccc2F)n1 ZINC000928708430 648945933 /nfs/dbraw/zinc/94/59/33/648945933.db2.gz LVHIXVROZIAIRW-VIFPVBQESA-N 0 0 294.351 2.716 20 10 CFCDRN CCCCCCOCC(=O)NCc1c(O)cccc1F ZINC000928710369 648946487 /nfs/dbraw/zinc/94/64/87/648946487.db2.gz CFSIILLVXBUTQO-UHFFFAOYSA-N 0 0 283.343 2.744 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1CC2(CC2(F)F)C1 ZINC000928712946 648946576 /nfs/dbraw/zinc/94/65/76/648946576.db2.gz YIZHUMQLIRSXOP-UHFFFAOYSA-N 0 0 285.265 2.583 20 10 CFCDRN Cc1noc(C)c1[C@H](C)C(=O)NCc1c(O)cccc1F ZINC000928712353 648946846 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/nfs/dbraw/zinc/95/22/32/779952232.db2.gz RRWYYKLSIYDCSC-UHFFFAOYSA-N 0 0 253.305 2.545 20 10 CFCDRN COC(=O)Cc1ccc(CNc2ccc(O)cc2)cc1 ZINC001168568921 779975894 /nfs/dbraw/zinc/97/58/94/779975894.db2.gz ZHAOZSJADNYMIK-UHFFFAOYSA-N 0 0 271.316 2.720 20 10 CFCDRN Cc1cccc(-c2noc(-c3csnn3)n2)c1F ZINC001212362119 779992801 /nfs/dbraw/zinc/99/28/01/779992801.db2.gz NRSNSYQZKLVUDJ-UHFFFAOYSA-N 0 0 262.269 2.703 20 10 CFCDRN Fc1ccc(F)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362106 779992917 /nfs/dbraw/zinc/99/29/17/779992917.db2.gz NAOFXLIBIPNUOD-UHFFFAOYSA-N 0 0 266.232 2.533 20 10 CFCDRN COc1cc(F)c(F)cc1-c1noc(-c2csnn2)n1 ZINC001212361862 779993361 /nfs/dbraw/zinc/99/33/61/779993361.db2.gz HQWDBGRATYVRLD-UHFFFAOYSA-N 0 0 296.258 2.542 20 10 CFCDRN COc1ccc(-c2noc(-c3csnn3)n2)c(Cl)c1 ZINC001212362093 779994183 /nfs/dbraw/zinc/99/41/83/779994183.db2.gz MGYALJKAACQKEQ-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN Clc1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362022 779994386 /nfs/dbraw/zinc/99/43/86/779994386.db2.gz KPJCZANUMKTGDZ-UHFFFAOYSA-N 0 0 264.697 2.909 20 10 CFCDRN O=c1cc(-c2ccc3nccn3c2)ccn1CC1CC1 ZINC001240221646 780008567 /nfs/dbraw/zinc/00/85/67/780008567.db2.gz OKXNPHCZIVECRM-UHFFFAOYSA-N 0 0 265.316 2.573 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2cn[nH]c2)ncn1 ZINC001240240209 780021847 /nfs/dbraw/zinc/02/18/47/780021847.db2.gz LPCOTRQYGQYYFY-UHFFFAOYSA-N 0 0 251.293 2.635 20 10 CFCDRN COc1cccc(N)c1NC1CCC(OC)CC1 ZINC001168609005 780041477 /nfs/dbraw/zinc/04/14/77/780041477.db2.gz WAOUBZGJVOLBSY-UHFFFAOYSA-N 0 0 250.342 2.647 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc(N(C)C)cc2)no1 ZINC001212404951 780095010 /nfs/dbraw/zinc/09/50/10/780095010.db2.gz CGTCYQTUUZQEHZ-UHFFFAOYSA-N 0 0 287.348 2.630 20 10 CFCDRN Cc1snnc1-c1nc(-c2cccc(F)c2F)no1 ZINC001212405151 780095261 /nfs/dbraw/zinc/09/52/61/780095261.db2.gz JBYDMLGWUVHRMX-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2cncnc2)cn1 ZINC001240375152 780119893 /nfs/dbraw/zinc/11/98/93/780119893.db2.gz COCCCYMUPQMXEY-UHFFFAOYSA-N 0 0 250.305 2.946 20 10 CFCDRN Cc1c(-c2cc(N3CCc4ccccc43)ncn2)cnn1C ZINC001240380594 780123452 /nfs/dbraw/zinc/12/34/52/780123452.db2.gz VPMBPNSJAINSQZ-UHFFFAOYSA-N 0 0 291.358 2.880 20 10 CFCDRN CCOc1ncccc1-c1cc(=O)n(C)c2ccccc12 ZINC001240497596 780204793 /nfs/dbraw/zinc/20/47/93/780204793.db2.gz QEMXHCWQDNVTHB-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN COc1nc(-c2ccc3ccn(C)c3c2)cn2ccnc12 ZINC001240574429 780265834 /nfs/dbraw/zinc/26/58/34/780265834.db2.gz LBLURRYRQJNJMD-UHFFFAOYSA-N 0 0 278.315 2.897 20 10 CFCDRN Cn1c(=O)cc(-c2cnc(C3CC3)nc2)c2ccccc21 ZINC001240686169 780359939 /nfs/dbraw/zinc/35/99/39/780359939.db2.gz JJNYPOLBQSLHHL-UHFFFAOYSA-N 0 0 277.327 2.873 20 10 CFCDRN CN1CCOc2cc(C3=CCC4(CC3)OCCO4)ccc21 ZINC001240707923 780378516 /nfs/dbraw/zinc/37/85/16/780378516.db2.gz SGARZXSAROTWKD-UHFFFAOYSA-N 0 0 287.359 2.826 20 10 CFCDRN CCO[C@H](C)n1cc(-c2nccc3c2ccn3C)cn1 ZINC001240751242 780414662 /nfs/dbraw/zinc/41/46/62/780414662.db2.gz UPRIYDWUUTWYNC-LLVKDONJSA-N 0 0 270.336 2.992 20 10 CFCDRN CCO[C@H](C)n1cc(-c2ccc3ccc(=O)n(C)c3c2)cn1 ZINC001240759296 780421652 /nfs/dbraw/zinc/42/16/52/780421652.db2.gz MCNLQJYNNLCEJG-GFCCVEGCSA-N 0 0 297.358 2.957 20 10 CFCDRN CC(C)SCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494373 780450343 /nfs/dbraw/zinc/45/03/43/780450343.db2.gz HNGONAFWAMNTAS-UHFFFAOYSA-N 0 0 261.337 2.902 20 10 CFCDRN Cc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001240806284 780457314 /nfs/dbraw/zinc/45/73/14/780457314.db2.gz WGUPOCKHXBPJMD-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Oc1c(C[NH+]2CC3(C2)CCOC3)ccc2ccccc21 ZINC001117722119 780607080 /nfs/dbraw/zinc/60/70/80/780607080.db2.gz KWHNLDOHQIANQL-UHFFFAOYSA-N 0 0 269.344 2.768 20 10 CFCDRN NC(=O)[C@@H](Sc1nccs1)c1ccc(F)cc1 ZINC000133232474 780631064 /nfs/dbraw/zinc/63/10/64/780631064.db2.gz FRVWTCRELUHIPI-VIFPVBQESA-N 0 0 268.338 2.601 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCCC1 ZINC000700786572 780720012 /nfs/dbraw/zinc/72/00/12/780720012.db2.gz AQUZAJDKXJXXLS-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN COc1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241337750 780791724 /nfs/dbraw/zinc/79/17/24/780791724.db2.gz GJVATYVIGPSVJH-UHFFFAOYSA-N 0 0 267.332 2.779 20 10 CFCDRN COCc1nccnc1C1=CCN(c2ccccc2)CC1 ZINC001241347399 780800946 /nfs/dbraw/zinc/80/09/46/780800946.db2.gz UEPOHZJVTZQNGG-UHFFFAOYSA-N 0 0 281.359 2.917 20 10 CFCDRN COc1ncc(-c2ccn(CC(F)(F)F)c(=O)c2)s1 ZINC001241418081 780863470 /nfs/dbraw/zinc/86/34/70/780863470.db2.gz UPXYMUAVZONPKX-UHFFFAOYSA-N 0 0 290.266 2.543 20 10 CFCDRN C[C@H](NC(=O)CN(C)c1ccc(N)cc1)c1cccs1 ZINC000702092886 780877787 /nfs/dbraw/zinc/87/77/87/780877787.db2.gz OAWPLPCVOBMPSE-NSHDSACASA-N 0 0 289.404 2.644 20 10 CFCDRN CC1(C)SC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703256658 781005319 /nfs/dbraw/zinc/00/53/19/781005319.db2.gz AYPRVUAFWFZTGZ-SECBINFHSA-N 0 0 259.321 2.654 20 10 CFCDRN CC(C)CCOCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703257861 781005418 /nfs/dbraw/zinc/00/54/18/781005418.db2.gz DJPONLUUCDXVTJ-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN C[C@@H]1CC([NH2+]Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1 ZINC000703293341 781006367 /nfs/dbraw/zinc/00/63/67/781006367.db2.gz CACLJOOOYXKXOG-RKDXNWHRSA-N 0 0 271.307 2.716 20 10 CFCDRN CC1(C)CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])O1 ZINC000703295861 781006489 /nfs/dbraw/zinc/00/64/89/781006489.db2.gz OGULKCCEPLWXQW-JTQLQIEISA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1csc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000703330789 781006921 /nfs/dbraw/zinc/00/69/21/781006921.db2.gz ZSHQKFLVODEMBZ-UHFFFAOYSA-N 0 0 284.331 2.768 20 10 CFCDRN CO[C@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703375988 781011796 /nfs/dbraw/zinc/01/17/96/781011796.db2.gz AGBLJDVLECWDCD-CQSZACIVSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(CNc2cccc(CCO)c2)ccc(F)c1F ZINC000703383269 781013106 /nfs/dbraw/zinc/01/31/06/781013106.db2.gz XMIYJNLTIROXRI-UHFFFAOYSA-N 0 0 279.286 2.817 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCCO1 ZINC000703539766 781025988 /nfs/dbraw/zinc/02/59/88/781025988.db2.gz DATJMVVYPZMVRC-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCOC1 ZINC000703532151 781026384 /nfs/dbraw/zinc/02/63/84/781026384.db2.gz SVWNFEWFZLLYOC-JTQLQIEISA-N 0 0 271.307 2.529 20 10 CFCDRN Cc1cc2c(cccc2-c2cnc(N)nc2C)n1C ZINC001241648871 781046534 /nfs/dbraw/zinc/04/65/34/781046534.db2.gz VEJAXLABNBFVQD-UHFFFAOYSA-N 0 0 252.321 2.834 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2c(c1)OCC(=O)N2 ZINC001241821192 781143780 /nfs/dbraw/zinc/14/37/80/781143780.db2.gz AEMQMWHYEIUQLH-UHFFFAOYSA-N 0 0 279.299 2.571 20 10 CFCDRN CCn1ccc(NCc2c(O)cccc2Br)n1 ZINC000706818061 781203784 /nfs/dbraw/zinc/20/37/84/781203784.db2.gz DGFBPOYHRGNBAR-UHFFFAOYSA-N 0 0 296.168 2.983 20 10 CFCDRN Oc1cccc(Br)c1CN1CCC(F)(F)C1 ZINC000707134371 781226919 /nfs/dbraw/zinc/22/69/19/781226919.db2.gz JNMKJSXCNJENBY-UHFFFAOYSA-N 0 0 292.123 2.996 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCC23CC3)cc1 ZINC000707121085 781226554 /nfs/dbraw/zinc/22/65/54/781226554.db2.gz JDFITBWKBKREKO-CQSZACIVSA-N 0 0 258.365 2.508 20 10 CFCDRN CCC[C@H](CNC(=O)Nc1ccc(N)cc1)OCC ZINC000707851337 781264145 /nfs/dbraw/zinc/26/41/45/781264145.db2.gz FBFUTZSXJPVDOT-CYBMUJFWSA-N 0 0 265.357 2.596 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000708389524 781271766 /nfs/dbraw/zinc/27/17/66/781271766.db2.gz LCAPMOJCZZACJV-MRVPVSSYSA-N 0 0 263.234 2.805 20 10 CFCDRN CC(C)(C)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393514 781272008 /nfs/dbraw/zinc/27/20/08/781272008.db2.gz GHSCPGLMVQTCIM-NSHDSACASA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708414218 781273515 /nfs/dbraw/zinc/27/35/15/781273515.db2.gz PKUOOBTWVOFSDV-CABZTGNLSA-N 0 0 271.307 2.670 20 10 CFCDRN COCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708412377 781273745 /nfs/dbraw/zinc/27/37/45/781273745.db2.gz HNBZWSGJPXGGTQ-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN COCC(C)(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708435622 781274629 /nfs/dbraw/zinc/27/46/29/781274629.db2.gz FEEULGYAWNYMQX-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN CC(C)(CN1CCCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708444590 781275050 /nfs/dbraw/zinc/27/50/50/781275050.db2.gz SHJRLQRBGKMZJI-UHFFFAOYSA-N 0 0 284.350 2.634 20 10 CFCDRN COCCCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708453237 781275268 /nfs/dbraw/zinc/27/52/68/781275268.db2.gz GOKGBCJRMDLMCS-UHFFFAOYSA-N 0 0 259.296 2.577 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000708505033 781290765 /nfs/dbraw/zinc/29/07/65/781290765.db2.gz WRAFJJNOFYEFKL-SECBINFHSA-N 0 0 271.307 2.575 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517683 781292228 /nfs/dbraw/zinc/29/22/28/781292228.db2.gz RXHJYMMRFPEOMM-RTHLEPHNSA-N 0 0 271.307 2.574 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2ccccc2N(C)C)nn1 ZINC001242178453 781315361 /nfs/dbraw/zinc/31/53/61/781315361.db2.gz JBSODMUGUPZVRV-UHFFFAOYSA-N 0 0 293.374 2.919 20 10 CFCDRN CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CO1 ZINC000711246129 781401297 /nfs/dbraw/zinc/40/12/97/781401297.db2.gz FUVMTZNNBBDMDT-WDEREUQCSA-N 0 0 255.745 2.703 20 10 CFCDRN COc1ncc(-c2nnc(C)cc2-c2nccn2C)cc1C ZINC001242430587 781495419 /nfs/dbraw/zinc/49/54/19/781495419.db2.gz JQADNNFBDJWPKA-UHFFFAOYSA-N 0 0 295.346 2.565 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(C(F)(F)F)c2)n1 ZINC001242462548 781517584 /nfs/dbraw/zinc/51/75/84/781517584.db2.gz JVMOWPYMGMLRCE-UHFFFAOYSA-N 0 0 281.241 2.617 20 10 CFCDRN Nc1cncc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)c1 ZINC001242501207 781549284 /nfs/dbraw/zinc/54/92/84/781549284.db2.gz KAZZFSIXJUXCJK-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN Cc1oncc1-c1ccn(Cc2ccc(F)cc2)c(=O)c1 ZINC001242603052 781633020 /nfs/dbraw/zinc/63/30/20/781633020.db2.gz UIWRHKBZJAYTHZ-UHFFFAOYSA-N 0 0 284.290 2.999 20 10 CFCDRN CCc1[nH]nc2ncc(-c3nc(C)nc4c3ccn4C)cc12 ZINC001242822933 781779684 /nfs/dbraw/zinc/77/96/84/781779684.db2.gz PIQUYRDPIVTUTO-UHFFFAOYSA-N 0 0 292.346 2.777 20 10 CFCDRN Cn1c(=O)cc(-c2cnn3ccccc23)c2ccccc21 ZINC001242967403 781887386 /nfs/dbraw/zinc/88/73/86/781887386.db2.gz RDZLKUFVDZTDIJ-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccon1 ZINC000067706125 346815642 /nfs/dbraw/zinc/81/56/42/346815642.db2.gz MVVWEAYIPVKJCL-UHFFFAOYSA-N 0 0 299.374 2.937 20 10 CFCDRN C[C@H](CCCCO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294974057 199278331 /nfs/dbraw/zinc/27/83/31/199278331.db2.gz GCQWVSSLZJJNIU-SECBINFHSA-N 0 0 275.751 2.825 20 10 CFCDRN COc1ccc(N2CCN(CCC(F)(F)F)CC2)cc1 ZINC000072950841 346952564 /nfs/dbraw/zinc/95/25/64/346952564.db2.gz DELSTKXQUKUKMS-UHFFFAOYSA-N 0 0 288.313 2.770 20 10 CFCDRN COc1ccc(O)c(CNc2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000074763379 347031201 /nfs/dbraw/zinc/03/12/01/347031201.db2.gz GTXMVXOVFYQODU-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000075543059 347083889 /nfs/dbraw/zinc/08/38/89/347083889.db2.gz NGIIKYAMDLEAEQ-CHWSQXEVSA-N 0 0 275.396 2.550 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H](O)C(F)F ZINC000295101631 199345706 /nfs/dbraw/zinc/34/57/06/199345706.db2.gz SXTYFJWBBARPOM-ONGXEEELSA-N 0 0 297.704 2.679 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000028495279 346276160 /nfs/dbraw/zinc/27/61/60/346276160.db2.gz YVITWRVJKVPJPZ-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN CC[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055878097 346598192 /nfs/dbraw/zinc/59/81/92/346598192.db2.gz QTTZBRXOQREXNR-CQSZACIVSA-N 0 0 290.407 2.780 20 10 CFCDRN CCCSCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058768522 346650121 /nfs/dbraw/zinc/65/01/21/346650121.db2.gz OKEGHFXJTUKTKV-UHFFFAOYSA-N 0 0 292.448 2.828 20 10 CFCDRN C[C@@H](Sc1nccs1)C(=O)N1CCC(C)CC1 ZINC000064660598 346724171 /nfs/dbraw/zinc/72/41/71/346724171.db2.gz WLZKXHXNMHAGPR-SNVBAGLBSA-N 0 0 270.423 2.882 20 10 CFCDRN CCCCO[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000065618523 346737666 /nfs/dbraw/zinc/73/76/66/346737666.db2.gz ZYLKBJUXPUYNAF-LBPRGKRZSA-N 0 0 265.353 2.556 20 10 CFCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)C=Cc2c[nH]cn2)C1 ZINC000277851657 290817489 /nfs/dbraw/zinc/81/74/89/290817489.db2.gz YRHNXWABHTWYFO-GWJCSSMESA-N 0 0 296.374 2.542 20 10 CFCDRN CN(Cc1ccccc1O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000089635578 347524194 /nfs/dbraw/zinc/52/41/94/347524194.db2.gz SCGBGFNGTTVXNW-UHFFFAOYSA-N 0 0 293.710 2.985 20 10 CFCDRN Cc1ccnc(N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000089635394 347524388 /nfs/dbraw/zinc/52/43/88/347524388.db2.gz FEYMJCKTAIIXHC-UHFFFAOYSA-N 0 0 273.292 2.640 20 10 CFCDRN COc1cccc(CNc2nnc(C3CC3)s2)c1O ZINC000091479145 347588908 /nfs/dbraw/zinc/58/89/08/347588908.db2.gz TWCBCWPVEKIJAD-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN COc1cccc(CNc2nc(C(C)C)no2)c1O ZINC000091479265 347589146 /nfs/dbraw/zinc/58/91/46/347589146.db2.gz XJWDPADYGNTSGG-UHFFFAOYSA-N 0 0 263.297 2.519 20 10 CFCDRN COc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1O ZINC000092649017 347636791 /nfs/dbraw/zinc/63/67/91/347636791.db2.gz MPZXSJQIMMVGRU-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccccc1O ZINC000092689347 347641503 /nfs/dbraw/zinc/64/15/03/347641503.db2.gz BUZVOIAJGLQWNU-UHFFFAOYSA-N 0 0 273.292 2.640 20 10 CFCDRN COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000237208858 348239723 /nfs/dbraw/zinc/23/97/23/348239723.db2.gz ABQMSNNIUKJDAM-OAHLLOKOSA-N 0 0 287.359 2.532 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CCO)CCCC1 ZINC000294505821 199066082 /nfs/dbraw/zinc/06/60/82/199066082.db2.gz BRGTYJCOAJCVBB-UHFFFAOYSA-N 0 0 287.762 2.970 20 10 CFCDRN CC/C=C/CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296514357 199916361 /nfs/dbraw/zinc/91/63/61/199916361.db2.gz SUWDZVIAKJCQLB-ONEGZZNKSA-N 0 0 285.391 2.828 20 10 CFCDRN CCCC(O)(CCC)CC(=O)NCc1ccc(N)cc1 ZINC000297228194 200120348 /nfs/dbraw/zinc/12/03/48/200120348.db2.gz OONJDEWGZRPHQD-UHFFFAOYSA-N 0 0 278.396 2.606 20 10 CFCDRN COc1cccc(CNC(=O)NCC2=CCCCC2)c1O ZINC000297503755 200212048 /nfs/dbraw/zinc/21/20/48/200212048.db2.gz GKLKMYLFHCBVPS-UHFFFAOYSA-N 0 0 290.363 2.700 20 10 CFCDRN C[C@@H]([NH2+]C1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000191210854 296115524 /nfs/dbraw/zinc/11/55/24/296115524.db2.gz JPSLFKQTKIEREJ-MRVPVSSYSA-N 0 0 257.280 2.500 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469201 296144887 /nfs/dbraw/zinc/14/48/87/296144887.db2.gz FISGPKUAOVDGHM-WDEREUQCSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])[C@@H]1CCOC1 ZINC000276933593 296150328 /nfs/dbraw/zinc/15/03/28/296150328.db2.gz ONORHLINLKEREC-KXUCPTDWSA-N 0 0 271.307 2.746 20 10 CFCDRN COc1ccccc1NC[C@H](O)COc1ccccc1 ZINC000003194939 371778866 /nfs/dbraw/zinc/77/88/66/371778866.db2.gz PEHGANIRNYYRMW-ZDUSSCGKSA-N 0 0 273.332 2.547 20 10 CFCDRN CC[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841427 373957841 /nfs/dbraw/zinc/95/78/41/373957841.db2.gz GYLXRHCPXHUQGY-OAHLLOKOSA-N 0 0 296.386 2.713 20 10 CFCDRN CCCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000070719028 374202967 /nfs/dbraw/zinc/20/29/67/374202967.db2.gz YNEKHUHWVAGLME-UHFFFAOYSA-N 0 0 290.407 2.924 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1ccn(C)c1 ZINC000493329760 246558090 /nfs/dbraw/zinc/55/80/90/246558090.db2.gz XCFDZWGOWHLONK-ZZXKWVIFSA-N 0 0 282.343 2.636 20 10 CFCDRN Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000092328756 375101836 /nfs/dbraw/zinc/10/18/36/375101836.db2.gz VVTDBNFXKNXPOX-MRVPVSSYSA-N 0 0 264.300 2.987 20 10 CFCDRN C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093481519 375252690 /nfs/dbraw/zinc/25/26/90/375252690.db2.gz HEMCAMWFSFNHEN-QMMMGPOBSA-N 0 0 278.179 2.902 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCC2CC2)cc1 ZINC000115322844 376126405 /nfs/dbraw/zinc/12/64/05/376126405.db2.gz PTOGPCLKAZQDBS-UHFFFAOYSA-N 0 0 260.381 2.901 20 10 CFCDRN CCC(O)(CC)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124748529 377084354 /nfs/dbraw/zinc/08/43/54/377084354.db2.gz SHWAIWVHLDHDSH-UHFFFAOYSA-N 0 0 257.761 2.686 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(O)CCCCC1 ZINC000124760862 377084530 /nfs/dbraw/zinc/08/45/30/377084530.db2.gz ZERXRYDNSDQONA-UHFFFAOYSA-N 0 0 269.772 2.830 20 10 CFCDRN CN1CCCc2cc(CNC(=O)C=C3CCC3)ccc21 ZINC000129347458 377416082 /nfs/dbraw/zinc/41/60/82/377416082.db2.gz YIFBHHUIMJHJEN-UHFFFAOYSA-N 0 0 270.376 2.796 20 10 CFCDRN COc1ccc(N(C)CCOC(C)C)c(OC)c1 ZINC000131895989 377776375 /nfs/dbraw/zinc/77/63/75/377776375.db2.gz UJUGIJFEMOLYTN-UHFFFAOYSA-N 0 0 253.342 2.565 20 10 CFCDRN CC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(OC)c1O ZINC000132288502 377823390 /nfs/dbraw/zinc/82/33/90/377823390.db2.gz JCBNDFOJJRDBEZ-AAEUAGOBSA-N 0 0 292.379 2.779 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1(CO)CCC1 ZINC000133150024 377909336 /nfs/dbraw/zinc/90/93/36/377909336.db2.gz KMQCTEFIKRCSCK-UHFFFAOYSA-N 0 0 276.163 2.704 20 10 CFCDRN Cc1nc(CC(=O)N(C)Cc2ccccc2O)c(C)s1 ZINC000135034250 378076890 /nfs/dbraw/zinc/07/68/90/378076890.db2.gz UEVFSOYSLPCZBZ-UHFFFAOYSA-N 0 0 290.388 2.667 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000150821057 378274625 /nfs/dbraw/zinc/27/46/25/378274625.db2.gz JKXQDHDSTADEIB-GJZGRUSLSA-N 0 0 287.407 2.694 20 10 CFCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1[O-] ZINC000148087431 378254565 /nfs/dbraw/zinc/25/45/65/378254565.db2.gz ZXLDKIOFECQGRW-VXGBXAGGSA-N 0 0 277.339 2.966 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000151705953 378350415 /nfs/dbraw/zinc/35/04/15/378350415.db2.gz QZAHDROSEZNGPR-QGZVFWFLSA-N 0 0 294.398 2.903 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1 ZINC000157961801 378661414 /nfs/dbraw/zinc/66/14/14/378661414.db2.gz VZRUVHNAZDHOKK-ZHACJKMWSA-N 0 0 269.348 2.795 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000160327641 378764069 /nfs/dbraw/zinc/76/40/69/378764069.db2.gz JKPJJNMCQRQANU-FPYGCLRLSA-N 0 0 297.314 2.974 20 10 CFCDRN CCC1(NC(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000178334070 380438302 /nfs/dbraw/zinc/43/83/02/380438302.db2.gz TUOGVQDHHAGSFU-UHFFFAOYSA-N 0 0 275.396 2.885 20 10 CFCDRN Cc1ccc(C(=O)N2CCS[C@H](C(C)C)C2)c(O)c1O ZINC000179525727 380552170 /nfs/dbraw/zinc/55/21/70/380552170.db2.gz NHEZMUDCCYXDFS-LBPRGKRZSA-N 0 0 295.404 2.620 20 10 CFCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000179859637 380588731 /nfs/dbraw/zinc/58/87/31/380588731.db2.gz YHFGBXCTRGTZEZ-HNNXBMFYSA-N 0 0 274.408 2.898 20 10 CFCDRN CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 ZINC000180966417 380718985 /nfs/dbraw/zinc/71/89/85/380718985.db2.gz LGYBOVALPDIRTR-SOFGYWHQSA-N 0 0 275.348 2.950 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CC[C@H](C)OC)cc1 ZINC000181097489 380738194 /nfs/dbraw/zinc/73/81/94/380738194.db2.gz NDGZIFKHHHSRJL-AWEZNQCLSA-N 0 0 292.423 2.964 20 10 CFCDRN CSCC1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000295370412 380815308 /nfs/dbraw/zinc/81/53/08/380815308.db2.gz DLFUYNCCJSYFFF-UHFFFAOYSA-N 0 0 295.404 2.749 20 10 CFCDRN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367968963 380870405 /nfs/dbraw/zinc/87/04/05/380870405.db2.gz ZBVXJCAHBLEGNK-OAHLLOKOSA-N 0 0 283.799 2.886 20 10 CFCDRN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367968962 380871374 /nfs/dbraw/zinc/87/13/74/380871374.db2.gz ZBVXJCAHBLEGNK-HNNXBMFYSA-N 0 0 283.799 2.886 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2CCC[C@H]2OC)s1 ZINC000295409170 380834890 /nfs/dbraw/zinc/83/48/90/380834890.db2.gz XFUMERCZOVXAEM-HTQZYQBOSA-N 0 0 273.379 2.589 20 10 CFCDRN COC(=O)c1cnc(SCC(=O)C(C)(C)C)s1 ZINC000295430131 380848994 /nfs/dbraw/zinc/84/89/94/380848994.db2.gz ZADDIGBCIWGDIM-UHFFFAOYSA-N 0 0 273.379 2.637 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287713596 380917942 /nfs/dbraw/zinc/91/79/42/380917942.db2.gz XTJCBNRHSDCXKK-SWHYSGLUSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cc(O)c(CNc2nc(C3CC3)no2)cc1C ZINC000181863551 380919133 /nfs/dbraw/zinc/91/91/33/380919133.db2.gz NIKMJRYZWDNWMG-UHFFFAOYSA-N 0 0 259.309 2.882 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1[O-] ZINC000368098928 380921768 /nfs/dbraw/zinc/92/17/68/380921768.db2.gz DAWCDNUWLARPFE-DGCLKSJQSA-N 0 0 289.354 2.853 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc(Cl)c1[O-] ZINC000287735430 380923872 /nfs/dbraw/zinc/92/38/72/380923872.db2.gz PIMHENDCKRZSHU-MFKMUULPSA-N 0 0 298.814 2.953 20 10 CFCDRN CCN(C[C@H](O)c1cccnc1)c1ccc(OC)cc1 ZINC000295704036 381026188 /nfs/dbraw/zinc/02/61/88/381026188.db2.gz QJLUSEFEEIUZPJ-INIZCTEOSA-N 0 0 272.348 2.650 20 10 CFCDRN CN(C)c1ccc(CN(C)CC(=O)OC(C)(C)C)cc1 ZINC000182119260 380993568 /nfs/dbraw/zinc/99/35/68/380993568.db2.gz SFHPTLDWOJXWLR-UHFFFAOYSA-N 0 0 278.396 2.526 20 10 CFCDRN CCCC[N@H+](CCCO)Cc1cccc(F)c1[O-] ZINC000289376491 381033287 /nfs/dbraw/zinc/03/32/87/381033287.db2.gz BTOSHXGGZXJXQJ-UHFFFAOYSA-N 0 0 255.333 2.516 20 10 CFCDRN CCS(=O)(=O)CCCCCOc1ccc(N(C)C)cc1 ZINC000289472600 381037250 /nfs/dbraw/zinc/03/72/50/381037250.db2.gz XCMJPTYEKLZYHW-UHFFFAOYSA-N 0 0 299.436 2.736 20 10 CFCDRN Cc1ccc(C(=O)N2CCCc3ccccc3C2)c(O)c1O ZINC000182396525 381081828 /nfs/dbraw/zinc/08/18/28/381081828.db2.gz ILBAWUIWCYESFB-UHFFFAOYSA-N 0 0 297.354 2.995 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)c(O)c1O ZINC000182534485 381107297 /nfs/dbraw/zinc/10/72/97/381107297.db2.gz JPBCNPMGPSSAIL-MWLCHTKSSA-N 0 0 263.337 2.667 20 10 CFCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000182636910 381125989 /nfs/dbraw/zinc/12/59/89/381125989.db2.gz XEFGOHKJWKOHHO-GDBMZVCRSA-N 0 0 290.407 2.574 20 10 CFCDRN COCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000182657855 381130631 /nfs/dbraw/zinc/13/06/31/381130631.db2.gz ASMGFDBDOGCEJY-GFCCVEGCSA-N 0 0 296.386 2.571 20 10 CFCDRN CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295976979 381195142 /nfs/dbraw/zinc/19/51/42/381195142.db2.gz MZCTZPYKPVXYLY-HIFRSBDPSA-N 0 0 274.408 2.701 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccccc1)CC2 ZINC000296012553 381211157 /nfs/dbraw/zinc/21/11/57/381211157.db2.gz OZYMIGDCHAUYSX-HOCLYGCPSA-N 0 0 269.344 2.703 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2ccsc2)cc1 ZINC000183226838 381239897 /nfs/dbraw/zinc/23/98/97/381239897.db2.gz GWNYUXVQVAAPQS-UHFFFAOYSA-N 0 0 291.372 2.936 20 10 CFCDRN COC1(C[NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000296140334 381271726 /nfs/dbraw/zinc/27/17/26/381271726.db2.gz VBYIDNITXYKAOR-UHFFFAOYSA-N 0 0 253.317 2.580 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C ZINC000183465309 381275710 /nfs/dbraw/zinc/27/57/10/381275710.db2.gz NOYDTCOHXOLAEF-SNVBAGLBSA-N 0 0 265.353 2.581 20 10 CFCDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000183476912 381275853 /nfs/dbraw/zinc/27/58/53/381275853.db2.gz LRRHYSKWQPBOIA-HUYFXPKMSA-N 0 0 275.348 2.501 20 10 CFCDRN CCc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000296149519 381276898 /nfs/dbraw/zinc/27/68/98/381276898.db2.gz WQSLQKHPBSECEE-UHFFFAOYSA-N 0 0 253.689 2.603 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCCCC1 ZINC000183481378 381278107 /nfs/dbraw/zinc/27/81/07/381278107.db2.gz JPJPIEPXICPFNU-LLVKDONJSA-N 0 0 277.364 2.725 20 10 CFCDRN Cn1cc(-c2cc(CSc3nccs3)on2)cn1 ZINC000183995402 381351201 /nfs/dbraw/zinc/35/12/01/381351201.db2.gz XTFXUASFLSKOAM-UHFFFAOYSA-N 0 0 278.362 2.824 20 10 CFCDRN CC(C)c1nnc(CN[C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000296397731 381377667 /nfs/dbraw/zinc/37/76/67/381377667.db2.gz KISGMTSRTRUZDA-SECBINFHSA-N 0 0 278.331 2.624 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)CC(C)C)c1O ZINC000184881096 381491936 /nfs/dbraw/zinc/49/19/36/381491936.db2.gz ZGHAXCYHECBSJO-NSHDSACASA-N 0 0 265.353 2.699 20 10 CFCDRN COCCC(C)(C)CNC(=O)N(C)Cc1ccccc1O ZINC000185134508 381542619 /nfs/dbraw/zinc/54/26/19/381542619.db2.gz JRQDUGZEOOYEFI-UHFFFAOYSA-N 0 0 294.395 2.596 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)cc1[O-] ZINC000185368703 381613521 /nfs/dbraw/zinc/61/35/21/381613521.db2.gz UDNMNUKLAYQSRO-WDEREUQCSA-N 0 0 266.360 2.665 20 10 CFCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185521123 381656270 /nfs/dbraw/zinc/65/62/70/381656270.db2.gz MKBFCDFETCSWEB-DCAQKATOSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000185534418 381660170 /nfs/dbraw/zinc/66/01/70/381660170.db2.gz ATLVMPVEZNDCAB-PWFWHMEDSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(F)cc1[O-] ZINC000185537310 381660205 /nfs/dbraw/zinc/66/02/05/381660205.db2.gz CTYZZWHZYJUCMY-LLVKDONJSA-N 0 0 269.360 2.981 20 10 CFCDRN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000371875986 381715379 /nfs/dbraw/zinc/71/53/79/381715379.db2.gz IJRRZIFMIBCVCT-MRXNPFEDSA-N 0 0 287.334 2.971 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(F)cc1[O-] ZINC000185608812 381681065 /nfs/dbraw/zinc/68/10/65/381681065.db2.gz XZGKMQNPOCYBGB-SNVBAGLBSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000185782374 381732071 /nfs/dbraw/zinc/73/20/71/381732071.db2.gz ADLMNHINBXWFKC-QWRGUYRKSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H](Sc1nccs1)C(=O)N1CCC(C)CC1 ZINC000299066952 381812028 /nfs/dbraw/zinc/81/20/28/381812028.db2.gz WLZKXHXNMHAGPR-JTQLQIEISA-N 0 0 270.423 2.882 20 10 CFCDRN CCC(C)(C)NC(=O)[C@H](C)Sc1nccs1 ZINC000299074205 381816644 /nfs/dbraw/zinc/81/66/44/381816644.db2.gz YLZIXJPTOVPZRH-QMMMGPOBSA-N 0 0 258.412 2.929 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cccc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000373370802 381989558 /nfs/dbraw/zinc/98/95/58/381989558.db2.gz RZAKWKFUACNGTJ-JKSUJKDBSA-N 0 0 279.355 2.826 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cccc(F)c2[O-])CCO[C@H]1C1CC1 ZINC000373370799 381989700 /nfs/dbraw/zinc/98/97/00/381989700.db2.gz RZAKWKFUACNGTJ-HOTGVXAUSA-N 0 0 279.355 2.826 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H]3CCCCC[C@@H]32)c(O)c1O ZINC000374771684 382056206 /nfs/dbraw/zinc/05/62/06/382056206.db2.gz PBUMPNAVFGDQAJ-AAEUAGOBSA-N 0 0 275.348 2.811 20 10 CFCDRN Cc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000186852860 382030274 /nfs/dbraw/zinc/03/02/74/382030274.db2.gz XFDHBJCLTFSTJI-CYBMUJFWSA-N 0 0 299.436 2.566 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000375235654 382074370 /nfs/dbraw/zinc/07/43/70/382074370.db2.gz BEVPYIGQSNYFJJ-CYBMUJFWSA-N 0 0 291.391 2.792 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC12CCC2 ZINC000375693378 382096512 /nfs/dbraw/zinc/09/65/12/382096512.db2.gz RSSPJPHDNVERIC-LLVKDONJSA-N 0 0 275.348 2.750 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)O ZINC000293658873 382219972 /nfs/dbraw/zinc/21/99/72/382219972.db2.gz PIJJNNKEXATHHW-BDAKNGLRSA-N 0 0 275.751 2.681 20 10 CFCDRN CCOc1cccc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000293798831 382284779 /nfs/dbraw/zinc/28/47/79/382284779.db2.gz DDEVDPXSZBOIHA-AWEZNQCLSA-N 0 0 299.370 2.887 20 10 CFCDRN CN1CCc2cc(CNC(=O)C(C)(C)C3CC3)ccc21 ZINC000377321338 382251686 /nfs/dbraw/zinc/25/16/86/382251686.db2.gz GEUNWBBNXKGMPS-UHFFFAOYSA-N 0 0 272.392 2.731 20 10 CFCDRN Cc1cnn(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187764736 382264048 /nfs/dbraw/zinc/26/40/48/382264048.db2.gz OLULOJPPQZLGBL-JTQLQIEISA-N 0 0 281.306 2.526 20 10 CFCDRN CC(C)[C@@H](C)N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000188281284 382382298 /nfs/dbraw/zinc/38/22/98/382382298.db2.gz CLPHOCZMOOPZAO-SNVBAGLBSA-N 0 0 263.337 2.747 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[C@H]1O ZINC000294118646 382422353 /nfs/dbraw/zinc/42/23/53/382422353.db2.gz GFXQIMVADHTABP-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccoc1CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000294149291 382435054 /nfs/dbraw/zinc/43/50/54/382435054.db2.gz PZAFTVITOVFDQB-UHFFFAOYSA-N 0 0 275.304 2.580 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000365759056 382437943 /nfs/dbraw/zinc/43/79/43/382437943.db2.gz QUTDMDPWOJXDKU-AAEUAGOBSA-N 0 0 275.348 2.893 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2ccsn2)cc1 ZINC000294297644 382498963 /nfs/dbraw/zinc/49/89/63/382498963.db2.gz CJOONBYEZYNOLC-UHFFFAOYSA-N 0 0 289.404 2.919 20 10 CFCDRN O=C(CSC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000294356834 382511821 /nfs/dbraw/zinc/51/18/21/382511821.db2.gz GDUWTBVGZLPJHR-UHFFFAOYSA-N 0 0 290.432 2.799 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1C ZINC000366651565 382539494 /nfs/dbraw/zinc/53/94/94/382539494.db2.gz IIDJAJJMOZHUOT-CABCVRRESA-N 0 0 275.392 2.867 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000295263666 382602288 /nfs/dbraw/zinc/60/22/88/382602288.db2.gz IZAWPJVLOMGGOF-AYMMMOKOSA-N 0 0 287.406 2.978 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2c(Cl)cnn2C)cc1 ZINC000189501496 382616847 /nfs/dbraw/zinc/61/68/47/382616847.db2.gz IKWZRUAMSSMNMR-UHFFFAOYSA-N 0 0 292.814 2.772 20 10 CFCDRN COC(=O)c1cnc(SCc2cc(C)on2)s1 ZINC000295160754 382578323 /nfs/dbraw/zinc/57/83/23/382578323.db2.gz GVLMGUDHQSRLAB-UHFFFAOYSA-N 0 0 270.335 2.518 20 10 CFCDRN CCn1nc(C)c([N+](=O)[O-])c1Sc1nccs1 ZINC000192523113 382709660 /nfs/dbraw/zinc/70/96/60/382709660.db2.gz OOEBGOQODYPPIZ-UHFFFAOYSA-N 0 0 270.339 2.727 20 10 CFCDRN COc1ccc(N(CC2CC2)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000493701350 382878431 /nfs/dbraw/zinc/87/84/31/382878431.db2.gz ZZQRCEIYDATOFE-WTKPLQERSA-N 0 0 297.358 2.875 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCOc2ccccc21 ZINC000254987129 383473002 /nfs/dbraw/zinc/47/30/02/383473002.db2.gz FICFGGNGFMSIMH-WAYWQWQTSA-N 0 0 284.290 2.660 20 10 CFCDRN CCCc1ncc(C(=O)NCc2ccccc2O)s1 ZINC000266489766 384184945 /nfs/dbraw/zinc/18/49/45/384184945.db2.gz DOYAUGQCYPFLMU-UHFFFAOYSA-N 0 0 276.361 2.731 20 10 CFCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccccc1O)C2 ZINC000266530641 384192599 /nfs/dbraw/zinc/19/25/99/384192599.db2.gz KAIHGTLGCSVBJP-QGZVFWFLSA-N 0 0 297.354 2.629 20 10 CFCDRN CN(C)c1ccc(CN(c2cnccn2)C2CC2)cc1 ZINC000267268054 384342383 /nfs/dbraw/zinc/34/23/83/384342383.db2.gz YUNWUJABNHDMAL-UHFFFAOYSA-N 0 0 268.364 2.712 20 10 CFCDRN Cc1cccnc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000267544171 384413242 /nfs/dbraw/zinc/41/32/42/384413242.db2.gz WHYCEYIBVQZGGL-UHFFFAOYSA-N 0 0 296.370 2.904 20 10 CFCDRN CCOc1ccc(N(CC)CC[C@@H]2CCOC2=O)cc1 ZINC000268017694 384511153 /nfs/dbraw/zinc/51/11/53/384511153.db2.gz WETNQUNHJKBPJS-CYBMUJFWSA-N 0 0 277.364 2.865 20 10 CFCDRN COc1ccc(C[C@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000270384893 385083756 /nfs/dbraw/zinc/08/37/56/385083756.db2.gz LHCVEBWIZCHNMM-ZDUSSCGKSA-N 0 0 299.370 2.896 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000281255603 385186580 /nfs/dbraw/zinc/18/65/80/385186580.db2.gz MWSCTMAGBFIBSN-CQSZACIVSA-N 0 0 280.387 2.893 20 10 CFCDRN CCc1ncnc(N(C)Cc2ccccc2O)c1F ZINC000271085176 385332518 /nfs/dbraw/zinc/33/25/18/385332518.db2.gz IVSDGCKKFPJMJQ-UHFFFAOYSA-N 0 0 261.300 2.520 20 10 CFCDRN CSCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000282525278 385335055 /nfs/dbraw/zinc/33/50/55/385335055.db2.gz LIEBRQKXMCNCLL-UHFFFAOYSA-N 0 0 280.437 2.758 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)CCOC ZINC000282531423 385336180 /nfs/dbraw/zinc/33/61/80/385336180.db2.gz QLQFUCQQZWCYGJ-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnn1C ZINC000282591299 385347916 /nfs/dbraw/zinc/34/79/16/385347916.db2.gz XDAIAUZUXYMRLE-UHFFFAOYSA-N 0 0 287.363 2.568 20 10 CFCDRN Cc1ccc(O)c(CNc2ncnn2C(C)(C)C)c1 ZINC000282606661 385351836 /nfs/dbraw/zinc/35/18/36/385351836.db2.gz NBJXHRYDXMZOFL-UHFFFAOYSA-N 0 0 260.341 2.659 20 10 CFCDRN C[C@H](NCc1ncnn1C(C)(C)C)c1ccccc1O ZINC000282680034 385368840 /nfs/dbraw/zinc/36/88/40/385368840.db2.gz JPSHPAGDTVMTQD-NSHDSACASA-N 0 0 274.368 2.590 20 10 CFCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1ccccc1O ZINC000282680029 385369180 /nfs/dbraw/zinc/36/91/80/385369180.db2.gz JPSHPAGDTVMTQD-LLVKDONJSA-N 0 0 274.368 2.590 20 10 CFCDRN CCN(CCCn1ccnc1)c1ccc(OC)cc1 ZINC000271879465 385395908 /nfs/dbraw/zinc/39/59/08/385395908.db2.gz BQQUWCMRGOGNIU-UHFFFAOYSA-N 0 0 259.353 2.808 20 10 CFCDRN CCCOc1ccc(C[NH2+]CCC2(O)CCC2)c(O)c1 ZINC000283919304 385514086 /nfs/dbraw/zinc/51/40/86/385514086.db2.gz IRTQRZGSOHAFOO-UHFFFAOYSA-N 0 0 279.380 2.576 20 10 CFCDRN CCCN(CCC)c1ccc(C[NH2+][C@H](C)C(=O)[O-])cc1 ZINC000284383170 385548370 /nfs/dbraw/zinc/54/83/70/385548370.db2.gz YHVBJTBFVRIQOB-CYBMUJFWSA-N 0 0 278.396 2.876 20 10 CFCDRN CC[C@H]([NH2+]CCCCOC)c1ccc(F)cc1[O-] ZINC000285687710 385557274 /nfs/dbraw/zinc/55/72/74/385557274.db2.gz OGQNHUMCOILMAR-ZDUSSCGKSA-N 0 0 255.333 2.999 20 10 CFCDRN COCCN(CCCCF)c1ccc(OC)c(OC)c1 ZINC000285823172 385557678 /nfs/dbraw/zinc/55/76/78/385557678.db2.gz ZXOKPWNARBBQRT-UHFFFAOYSA-N 0 0 285.359 2.906 20 10 CFCDRN CC[C@H]([NH2+]C[C@](C)(O)CC)c1ccc(F)cc1[O-] ZINC000286003734 385559507 /nfs/dbraw/zinc/55/95/07/385559507.db2.gz IVNPVKNHMSGXSL-GXTWGEPZSA-N 0 0 255.333 2.733 20 10 CFCDRN CCc1nc(C)cc(NCc2cccc(OC)c2O)n1 ZINC000286039600 385559644 /nfs/dbraw/zinc/55/96/44/385559644.db2.gz AHDPLIZGPZQSQF-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286123814 385561714 /nfs/dbraw/zinc/56/17/14/385561714.db2.gz OEIRMKGXCJYGKC-GXFFZTMASA-N 0 0 296.386 2.875 20 10 CFCDRN Cc1ccc(C(=O)N(CC(F)F)C(C)C)c(O)c1O ZINC000272753120 385604500 /nfs/dbraw/zinc/60/45/00/385604500.db2.gz OPQXRNRFQCUVLP-UHFFFAOYSA-N 0 0 273.279 2.522 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000286250808 385577942 /nfs/dbraw/zinc/57/79/42/385577942.db2.gz UIPPHDFIVRVIMG-GWCFXTLKSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286270053 385580701 /nfs/dbraw/zinc/58/07/01/385580701.db2.gz VHQFTTYJDROIDG-WDMOLILDSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286270006 385580820 /nfs/dbraw/zinc/58/08/20/385580820.db2.gz VHQFTTYJDROIDG-MJVIPROJSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnn(CC)c1)c1ccc(F)cc1[O-] ZINC000286292729 385584131 /nfs/dbraw/zinc/58/41/31/385584131.db2.gz WSKVNIWBOARRCF-AWEZNQCLSA-N 0 0 277.343 2.989 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2(OC)CCC2)cc1 ZINC000272819806 385624732 /nfs/dbraw/zinc/62/47/32/385624732.db2.gz WGRJODJEHSLFKU-UHFFFAOYSA-N 0 0 290.407 2.718 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273530953 385686262 /nfs/dbraw/zinc/68/62/62/385686262.db2.gz WIZWYQBCJAGTJY-LLVKDONJSA-N 0 0 296.367 2.750 20 10 CFCDRN CCOC1CC([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000286690326 385687128 /nfs/dbraw/zinc/68/71/28/385687128.db2.gz CZSSXGXFRVVHRV-UHFFFAOYSA-N 0 0 295.354 2.733 20 10 CFCDRN CCC[C@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557727 385688120 /nfs/dbraw/zinc/68/81/20/385688120.db2.gz HFUIGYQALQAUKF-VXGBXAGGSA-N 0 0 296.367 2.750 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000273547899 385688163 /nfs/dbraw/zinc/68/81/63/385688163.db2.gz ZUQODAMHPMPXIH-ZANVPECISA-N 0 0 263.337 2.628 20 10 CFCDRN CC[C@H](CSC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273546868 385688287 /nfs/dbraw/zinc/68/82/87/385688287.db2.gz ZPPHMUXFGZDBFX-CMPLNLGQSA-N 0 0 297.420 2.971 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000273565896 385690144 /nfs/dbraw/zinc/69/01/44/385690144.db2.gz JKOFLHHDCFOXPF-ZYHUDNBSSA-N 0 0 295.404 2.725 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273602706 385691379 /nfs/dbraw/zinc/69/13/79/385691379.db2.gz SHDVYZLATMIFIS-IINYFYTJSA-N 0 0 282.340 2.502 20 10 CFCDRN C[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372446578 393449571 /nfs/dbraw/zinc/44/95/71/393449571.db2.gz MEWCIERWBWHZNT-CYBMUJFWSA-N 0 0 287.407 2.763 20 10 CFCDRN CCCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374271905 393491277 /nfs/dbraw/zinc/49/12/77/393491277.db2.gz NCHKMDMGSSDWLZ-UHFFFAOYSA-N 0 0 258.365 2.778 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000237882543 393795428 /nfs/dbraw/zinc/79/54/28/393795428.db2.gz VRCVHTRJZNZKKU-OAHLLOKOSA-N 0 0 258.365 2.602 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCOC2)cc1 ZINC000106841953 393867831 /nfs/dbraw/zinc/86/78/31/393867831.db2.gz ANUVCMOOQIJMTI-KRWDZBQOSA-N 0 0 298.386 2.955 20 10 CFCDRN CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108536263 393875320 /nfs/dbraw/zinc/87/53/20/393875320.db2.gz LJFTYJKBXTUJSU-UHFFFAOYSA-N 0 0 275.396 2.742 20 10 CFCDRN C[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000120159134 393931234 /nfs/dbraw/zinc/93/12/34/393931234.db2.gz NOLHECLEURZOPG-LBPRGKRZSA-N 0 0 276.163 2.968 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cscn2)cc1F ZINC000120221183 393931361 /nfs/dbraw/zinc/93/13/61/393931361.db2.gz YYGPYWOXBVITEV-UHFFFAOYSA-N 0 0 279.384 2.980 20 10 CFCDRN COCCC1(C(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000121460850 393955714 /nfs/dbraw/zinc/95/57/14/393955714.db2.gz CEVMZGISBPTXSB-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN COc1ccc(N(C)CC(=O)OC(C)(C)C)cc1F ZINC000121765663 393959488 /nfs/dbraw/zinc/95/94/88/393959488.db2.gz PSYLTPNNXHMHGT-UHFFFAOYSA-N 0 0 269.316 2.612 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC000121875737 393961417 /nfs/dbraw/zinc/96/14/17/393961417.db2.gz AHXUYRKSFXPTNC-UHFFFAOYSA-N 0 0 281.743 2.930 20 10 CFCDRN O=C(C=C(C1CC1)C1CC1)NCc1ccccc1O ZINC000268554816 393993640 /nfs/dbraw/zinc/99/36/40/393993640.db2.gz FDQPCKHQINGCAD-UHFFFAOYSA-N 0 0 257.333 2.755 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccnc(C)c2)cn1 ZINC000492566246 394071492 /nfs/dbraw/zinc/07/14/92/394071492.db2.gz NRBIYWFFKFGPFN-VOTSOKGWSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2cnccc2C)c1 ZINC000492591125 394072184 /nfs/dbraw/zinc/07/21/84/394072184.db2.gz MADBPAICIBCITO-SNAWJCMRSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C\c1cncc(F)c1)N1CCCc2ncccc21 ZINC000492923586 394099268 /nfs/dbraw/zinc/09/92/68/394099268.db2.gz IGADMJFPGKZCPJ-WAYWQWQTSA-N 0 0 283.306 2.608 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cncs2)cc1F ZINC000492978545 394114132 /nfs/dbraw/zinc/11/41/32/394114132.db2.gz ABSOWZKHNWCDLX-GQCTYLIASA-N 0 0 292.335 2.967 20 10 CFCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000493120330 394154688 /nfs/dbraw/zinc/15/46/88/394154688.db2.gz PXANADMAABXCLY-SREVYHEPSA-N 0 0 285.303 2.610 20 10 CFCDRN CN(C(=O)/C=C/c1cncs1)c1cnc2ccccc2n1 ZINC000493121767 394155136 /nfs/dbraw/zinc/15/51/36/394155136.db2.gz AOFMFMDQFVPHRY-VOTSOKGWSA-N 0 0 296.355 2.763 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287576389 394207153 /nfs/dbraw/zinc/20/71/53/394207153.db2.gz HCOBUWNEJBYWGY-BXKDBHETSA-N 0 0 257.761 2.857 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2cc(F)ccc21 ZINC000493398162 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CC1(C)CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000087647374 520321586 /nfs/dbraw/zinc/32/15/86/520321586.db2.gz VKKWBSUSPUXVJX-UHFFFAOYSA-N 0 0 260.381 2.850 20 10 CFCDRN CC1(C)CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000274908875 520359202 /nfs/dbraw/zinc/35/92/02/520359202.db2.gz GOUOKCHSVRTSMI-LBPRGKRZSA-N 0 0 277.364 2.583 20 10 CFCDRN CCN(CC(=O)OC)Cc1c(O)ccc2ccccc21 ZINC000264120648 520384993 /nfs/dbraw/zinc/38/49/93/520384993.db2.gz XCHFBGSYNCFBMD-UHFFFAOYSA-N 0 0 273.332 2.540 20 10 CFCDRN CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278142058 520644923 /nfs/dbraw/zinc/64/49/23/520644923.db2.gz BDAJYDVTMJFBOQ-SNVBAGLBSA-N 0 0 282.340 2.929 20 10 CFCDRN CCCCOCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747967 520784643 /nfs/dbraw/zinc/78/46/43/520784643.db2.gz WYQXXEINOALLGO-LLVKDONJSA-N 0 0 255.333 2.999 20 10 CFCDRN CC1=C(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000124599476 520798728 /nfs/dbraw/zinc/79/87/28/520798728.db2.gz LQTOBYCOMRQBAM-UHFFFAOYSA-N 0 0 292.354 2.592 20 10 CFCDRN CCC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193132715 520824500 /nfs/dbraw/zinc/82/45/00/520824500.db2.gz OXCYOFKOBXMEMG-LLVKDONJSA-N 0 0 263.337 2.750 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)CC[C@@H](C)OC)cc1 ZINC000181097469 520895797 /nfs/dbraw/zinc/89/57/97/520895797.db2.gz NDGZIFKHHHSRJL-CQSZACIVSA-N 0 0 292.423 2.964 20 10 CFCDRN CCC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272511989 521026615 /nfs/dbraw/zinc/02/66/15/521026615.db2.gz UUFBPZJFYPWTLJ-DJYGCBNOSA-N 0 0 263.337 2.758 20 10 CFCDRN CCOc1ccc(O)c(CN(CCOC)CC(F)F)c1 ZINC000092966328 521143910 /nfs/dbraw/zinc/14/39/10/521143910.db2.gz JHGYBWDXHFYHJY-UHFFFAOYSA-N 0 0 289.322 2.504 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)C(C)(C)C ZINC000264994295 521315353 /nfs/dbraw/zinc/31/53/53/521315353.db2.gz CHSZABPPYIWSFE-UHFFFAOYSA-N 0 0 290.407 2.716 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)on1 ZINC000053661640 521319873 /nfs/dbraw/zinc/31/98/73/521319873.db2.gz UNDWRESMJMQGMB-UHFFFAOYSA-N 0 0 287.363 2.711 20 10 CFCDRN CCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000171435207 521426965 /nfs/dbraw/zinc/42/69/65/521426965.db2.gz PHKNEXVLEBQCFK-UHFFFAOYSA-N 0 0 293.386 2.976 20 10 CFCDRN CCN(Cc1nnc2n1CCCC2)c1ccc(OC)cc1 ZINC000363443567 521465132 /nfs/dbraw/zinc/46/51/32/521465132.db2.gz HKHDKARMHONPFY-UHFFFAOYSA-N 0 0 286.379 2.650 20 10 CFCDRN CCOC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000159209583 521626045 /nfs/dbraw/zinc/62/60/45/521626045.db2.gz ITKKACIBXWRTMF-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CC1 ZINC000278291672 521685027 /nfs/dbraw/zinc/68/50/27/521685027.db2.gz UVMDLXNZXWZUIO-UHFFFAOYSA-N 0 0 294.351 2.931 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)C(C)(C)C ZINC000265425679 521687148 /nfs/dbraw/zinc/68/71/48/521687148.db2.gz SJZRAHPZEZSJNY-UHFFFAOYSA-N 0 0 277.364 2.746 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCOC1 ZINC000171302065 521689381 /nfs/dbraw/zinc/68/93/81/521689381.db2.gz NMJNKEHGEUGBPL-CQSZACIVSA-N 0 0 277.364 2.557 20 10 CFCDRN 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CFCDRN CC[C@@](C)(OC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000281443667 523678818 /nfs/dbraw/zinc/67/88/18/523678818.db2.gz KHVKALMAVRPJKR-QGZVFWFLSA-N 0 0 291.391 2.702 20 10 CFCDRN CC[C@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000285721114 523858276 /nfs/dbraw/zinc/85/82/76/523858276.db2.gz FPSWVPMYASGRIK-NWDGAFQWSA-N 0 0 279.380 2.971 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ccoc3)ccc21 ZINC000299398495 523861320 /nfs/dbraw/zinc/86/13/20/523861320.db2.gz WDDLTXWBUZBQPZ-UHFFFAOYSA-N 0 0 270.332 2.592 20 10 CFCDRN CC[C@H](C)CONC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000291753857 523889155 /nfs/dbraw/zinc/88/91/55/523889155.db2.gz KPUZZSMBDGVGNP-ZDUSSCGKSA-N 0 0 293.411 2.872 20 10 CFCDRN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000193875625 523965981 /nfs/dbraw/zinc/96/59/81/523965981.db2.gz ZHKUSRZKSRSLRL-JBLDHEPKSA-N 0 0 281.327 2.524 20 10 CFCDRN C[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000073917508 524113164 /nfs/dbraw/zinc/11/31/64/524113164.db2.gz LLJLUZVWHYSKON-ZDUSSCGKSA-N 0 0 287.407 2.763 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000299520245 524169825 /nfs/dbraw/zinc/16/98/25/524169825.db2.gz QDOQHVYZJXGGPH-DGCLKSJQSA-N 0 0 262.353 2.770 20 10 CFCDRN C[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000096811643 524218655 /nfs/dbraw/zinc/21/86/55/524218655.db2.gz XWXLYOAQOLXCNX-SSDOTTSWSA-N 0 0 264.152 2.560 20 10 CFCDRN Cc1cccc(C)c1OCCNC(=O)Cc1ccc(N)cc1 ZINC000237653736 524313850 /nfs/dbraw/zinc/31/38/50/524313850.db2.gz GTJGFNJJFQTGOR-UHFFFAOYSA-N 0 0 298.386 2.623 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CCCCO2)cc1F ZINC000193066014 524352496 /nfs/dbraw/zinc/35/24/96/524352496.db2.gz DHYVUJWJWNPZJQ-HNNXBMFYSA-N 0 0 283.343 2.814 20 10 CFCDRN COc1ccc(N(C)CC[C@@H]2CCCO2)c(OC)c1 ZINC000189746071 524353768 /nfs/dbraw/zinc/35/37/68/524353768.db2.gz BSXZXUHXIGTFOE-LBPRGKRZSA-N 0 0 265.353 2.709 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000070110249 524606186 /nfs/dbraw/zinc/60/61/86/524606186.db2.gz KFURJGOYQUCBFE-LALPHHSUSA-N 0 0 260.381 2.752 20 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COc1ncccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191198768 525064272 /nfs/dbraw/zinc/06/42/72/525064272.db2.gz VQXPDYRTTJXCNC-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000299094172 525280375 /nfs/dbraw/zinc/28/03/75/525280375.db2.gz XMFFIWRZBHCSDH-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN Cc1ccccc1O[C@@H](C)CNC(=O)Cc1ccc(N)cc1 ZINC000237557781 525319790 /nfs/dbraw/zinc/31/97/90/525319790.db2.gz SAAGOEIEFARBMF-AWEZNQCLSA-N 0 0 298.386 2.703 20 10 CFCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1[O-] ZINC000230668246 525419897 /nfs/dbraw/zinc/41/98/97/525419897.db2.gz GSUQTXRIJFRZBI-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccncc1)c1ccc(F)c(F)c1[O-] ZINC000276943952 525465039 /nfs/dbraw/zinc/46/50/39/525465039.db2.gz PWPSRTXEWSJYSB-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000276928786 525500450 /nfs/dbraw/zinc/50/04/50/525500450.db2.gz NTUNQBGEXRBQGS-NXEZZACHSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000063219058 525595713 /nfs/dbraw/zinc/59/57/13/525595713.db2.gz QWNKQWVQRIHHPO-WFASDCNBSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364239 525637530 /nfs/dbraw/zinc/63/75/30/525637530.db2.gz BADJEECKBDOERG-NXEZZACHSA-N 0 0 282.365 2.847 20 10 CFCDRN CSC[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159865 525669335 /nfs/dbraw/zinc/66/93/35/525669335.db2.gz OZHGYICLKQFRMA-NSHDSACASA-N 0 0 293.432 2.886 20 10 CFCDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000302398741 525681778 /nfs/dbraw/zinc/68/17/78/525681778.db2.gz KOJAUUGNPCXHFJ-JTQLQIEISA-N 0 0 287.323 2.624 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000161623692 525791977 /nfs/dbraw/zinc/79/19/77/525791977.db2.gz BMOUGAAIEVYQJS-LBPRGKRZSA-N 0 0 292.448 2.827 20 10 CFCDRN Cc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000291665368 525973635 /nfs/dbraw/zinc/97/36/35/525973635.db2.gz BZKWTWLGRNQEGU-UHFFFAOYSA-N 0 0 285.347 2.513 20 10 CFCDRN COc1cccc(CNC(=O)NCC2(C)CCCC2)c1O ZINC000074162747 525984311 /nfs/dbraw/zinc/98/43/11/525984311.db2.gz ZJZBYKSABCFBGL-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1cccc(CNC(=O)NCCC2CCCC2)c1O ZINC000173915385 525985779 /nfs/dbraw/zinc/98/57/79/525985779.db2.gz OCADFNCVACNPSU-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H](C)C(C)(C)C)c1O ZINC000265147495 525993900 /nfs/dbraw/zinc/99/39/00/525993900.db2.gz AIZMHUJBMIIPAQ-SNVBAGLBSA-N 0 0 265.353 2.699 20 10 CFCDRN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccccc1O)O2 ZINC000280016752 526154728 /nfs/dbraw/zinc/15/47/28/526154728.db2.gz TXUPYKSWYMJWQT-QGZVFWFLSA-N 0 0 297.354 2.711 20 10 CFCDRN C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccccc2O)C1(C)C ZINC000275971039 526193634 /nfs/dbraw/zinc/19/36/34/526193634.db2.gz NMEYBPNOQUYVOJ-YPMHNXCESA-N 0 0 289.375 2.650 20 10 CFCDRN Cc1cncc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000302223334 526210749 /nfs/dbraw/zinc/21/07/49/526210749.db2.gz NKHNEUWGKRMKEA-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN Cc1cncc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000302244521 526210838 /nfs/dbraw/zinc/21/08/38/526210838.db2.gz ZNHGYZBHSRQZDF-AWEZNQCLSA-N 0 0 298.390 2.795 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000263686004 526257640 /nfs/dbraw/zinc/25/76/40/526257640.db2.gz HPSOPQULQHWNNL-GFCCVEGCSA-N 0 0 283.375 2.971 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366696860 526330014 /nfs/dbraw/zinc/33/00/14/526330014.db2.gz PRFDQRLGKREQEA-FZMZJTMJSA-N 0 0 265.328 2.532 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000191426261 526345364 /nfs/dbraw/zinc/34/53/64/526345364.db2.gz RABGOXCILLCLPV-CQSZACIVSA-N 0 0 285.746 2.797 20 10 CFCDRN Oc1ccc(F)cc1CN[C@H](C1CC1)C(F)(F)F ZINC000290236857 526350619 /nfs/dbraw/zinc/35/06/19/526350619.db2.gz UFHHHXZORAUXJZ-LLVKDONJSA-N 0 0 263.234 2.962 20 10 CFCDRN Oc1ccccc1CNc1ccc(CN2CCOCC2)cc1 ZINC000076262606 526374504 /nfs/dbraw/zinc/37/45/04/526374504.db2.gz OWXYKHDHNPHAHY-UHFFFAOYSA-N 0 0 298.386 2.837 20 10 CFCDRN O=C(CCCc1ccccc1)NCCc1ccc(O)c(O)c1 ZINC000156692796 526458738 /nfs/dbraw/zinc/45/87/38/526458738.db2.gz QXAVAHXJLMSIGP-UHFFFAOYSA-N 0 0 299.370 2.779 20 10 CFCDRN Cc1noc(C)c1CN(C)c1ccc2c(c1)OCO2 ZINC000121419365 526500365 /nfs/dbraw/zinc/50/03/65/526500365.db2.gz QLFBCZUCKWLYLY-UHFFFAOYSA-N 0 0 260.293 2.657 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CC=CC1 ZINC000075159805 526634789 /nfs/dbraw/zinc/63/47/89/526634789.db2.gz JKKMFKWOSFGVBH-UHFFFAOYSA-N 0 0 271.360 2.853 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccncc1F ZINC000265933184 526681080 /nfs/dbraw/zinc/68/10/80/526681080.db2.gz YTHKFPORXRBJPW-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN Cc1nsc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000266324331 526715436 /nfs/dbraw/zinc/71/54/36/526715436.db2.gz GAVMOKWCTHZOPJ-UHFFFAOYSA-N 0 0 274.393 2.841 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@H]1CCC(F)(F)C1 ZINC000281994291 526754238 /nfs/dbraw/zinc/75/42/38/526754238.db2.gz NRPSTITYTWWIDT-JTQLQIEISA-N 0 0 284.306 2.627 20 10 CFCDRN O=C(NCc1ccccc1O)c1noc2c1CCCCC2 ZINC000275836512 526754985 /nfs/dbraw/zinc/75/49/85/526754985.db2.gz BTVVWDVPAYWPKZ-UHFFFAOYSA-N 0 0 286.331 2.579 20 10 CFCDRN O=C(c1cccc(O)c1O)N1Cc2ccccc2C2(CC2)C1 ZINC000365671374 526772075 /nfs/dbraw/zinc/77/20/75/526772075.db2.gz DLUVHOSYMPAWHI-UHFFFAOYSA-N 0 0 295.338 2.785 20 10 CFCDRN O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cccc(O)c1O ZINC000365670245 527310530 /nfs/dbraw/zinc/31/05/30/527310530.db2.gz HSXDPPGZNUZWAA-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN Cc1ncccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000108164330 527355238 /nfs/dbraw/zinc/35/52/38/527355238.db2.gz XYYDHTLQHKLTMH-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN Nc1ccc(CCNC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000237931202 527480031 /nfs/dbraw/zinc/48/00/31/527480031.db2.gz FHSQQUWLHNAWSZ-UHFFFAOYSA-N 0 0 298.361 2.798 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000237942784 527480550 /nfs/dbraw/zinc/48/05/50/527480550.db2.gz VPEAFHFWEZSAAP-DLBZAZTESA-N 0 0 298.361 2.870 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000279768503 527579485 /nfs/dbraw/zinc/57/94/85/527579485.db2.gz JXRFRXJNCYJBRG-GFCCVEGCSA-N 0 0 269.772 2.686 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CCC2)C1 ZINC000366252285 527611883 /nfs/dbraw/zinc/61/18/83/527611883.db2.gz KWCUCBAUBUDOFH-GQCTYLIASA-N 0 0 287.359 2.904 20 10 CFCDRN CCc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000736660167 574063807 /nfs/dbraw/zinc/06/38/07/574063807.db2.gz WVGYNBMPLQZCJT-UHFFFAOYSA-N 0 0 298.386 2.997 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@@H]1CCCCO1 ZINC000754081195 574070576 /nfs/dbraw/zinc/07/05/76/574070576.db2.gz JNAMKLSENVIUEH-HNNXBMFYSA-N 0 0 290.407 2.911 20 10 CFCDRN CCOc1ccc(N(CC)CCCN2CCOCC2)cc1 ZINC000744392134 574072151 /nfs/dbraw/zinc/07/21/51/574072151.db2.gz UXVMGEJQMUAEJT-UHFFFAOYSA-N 0 0 292.423 2.634 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCN(C)c3ccccc32)cn1 ZINC000754256737 574084786 /nfs/dbraw/zinc/08/47/86/574084786.db2.gz CVFDTDJZSGDVLV-MDZDMXLPSA-N 0 0 293.370 2.886 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCO2)cc1 ZINC000728223217 574087431 /nfs/dbraw/zinc/08/74/31/574087431.db2.gz WKHAMHSKIUCREL-MRXNPFEDSA-N 0 0 290.407 2.670 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1C[C@H]1C ZINC000754120257 574090577 /nfs/dbraw/zinc/09/05/77/574090577.db2.gz BLCMBTZJMAFZRD-GHMZBOCLSA-N 0 0 297.782 2.677 20 10 CFCDRN O=C([O-])N1CCC(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000740495865 574097807 /nfs/dbraw/zinc/09/78/07/574097807.db2.gz DYOQCTBLTSCARY-UHFFFAOYSA-N 0 0 298.770 2.525 20 10 CFCDRN CC(C)c1cc(NCCc2ccc(O)c(O)c2)ncn1 ZINC000754489658 574098074 /nfs/dbraw/zinc/09/80/74/574098074.db2.gz VWBHGSGOBVFFOW-UHFFFAOYSA-N 0 0 273.336 2.666 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000730817233 574098080 /nfs/dbraw/zinc/09/80/80/574098080.db2.gz PQOGVIYUIDCRIN-UHFFFAOYSA-N 0 0 294.257 2.868 20 10 CFCDRN Cc1cc(C)c(O)c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000754740661 574118161 /nfs/dbraw/zinc/11/81/61/574118161.db2.gz GWHXJZXQJBIZDO-GFCCVEGCSA-N 0 0 289.297 2.772 20 10 CFCDRN Cc1ccc(C(=O)OCC[C@@H]2CCCCO2)c(O)c1O ZINC000754810581 574122630 /nfs/dbraw/zinc/12/26/30/574122630.db2.gz YXZRFUHMMYQYIN-NSHDSACASA-N 0 0 280.320 2.522 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@@H](C)C(C)(C)C)c1O ZINC000745822358 574126481 /nfs/dbraw/zinc/12/64/81/574126481.db2.gz GMWAUBGLABWMCD-LLVKDONJSA-N 0 0 294.395 2.882 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000756659196 574127710 /nfs/dbraw/zinc/12/77/10/574127710.db2.gz PJLLDWQHGXMXDQ-VIFPVBQESA-N 0 0 264.275 2.916 20 10 CFCDRN O=C(NCc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731863882 574130806 /nfs/dbraw/zinc/13/08/06/574130806.db2.gz IVQLTJUUNJDQLA-UHFFFAOYSA-N 0 0 251.282 2.523 20 10 CFCDRN CC(C)(C)c1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731870009 574131121 /nfs/dbraw/zinc/13/11/21/574131121.db2.gz HMFNYBQTWTUFQX-UHFFFAOYSA-N 0 0 283.378 2.855 20 10 CFCDRN O=C(NCc1ccccc1OC(F)F)C1=CC(=O)CS1 ZINC000731866036 574131177 /nfs/dbraw/zinc/13/11/77/574131177.db2.gz DUWCEEVQADZTFL-UHFFFAOYSA-N 0 0 299.298 2.985 20 10 CFCDRN O=C(NCCCOC1CCCCC1)C1=CC(=O)CS1 ZINC000731865923 574131415 /nfs/dbraw/zinc/13/14/15/574131415.db2.gz WXSCWHMQRSIYEG-UHFFFAOYSA-N 0 0 283.393 2.923 20 10 CFCDRN O=C(Nc1cnn(Cc2ccccc2)c1)C1=CC(=O)CS1 ZINC000731870679 574131496 /nfs/dbraw/zinc/13/14/96/574131496.db2.gz MNXXLVFCKCWKRO-UHFFFAOYSA-N 0 0 299.355 2.951 20 10 CFCDRN CCCCc1nnc(NC(=O)C2=CC(=O)CS2)s1 ZINC000731867333 574132304 /nfs/dbraw/zinc/13/23/04/574132304.db2.gz GIWAYYRTACJFNY-UHFFFAOYSA-N 0 0 283.378 2.900 20 10 CFCDRN O=C(OCc1cccc(F)c1)C1=CC(=O)CS1 ZINC000731911217 574133737 /nfs/dbraw/zinc/13/37/37/574133737.db2.gz GLGRNHWPJXRBOL-UHFFFAOYSA-N 0 0 252.266 2.950 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ncnc3c2CCC3)c1 ZINC000728909026 574136340 /nfs/dbraw/zinc/13/63/40/574136340.db2.gz JRYPECUQRRSVIA-SNVBAGLBSA-N 0 0 285.347 2.853 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]cc2C)c1 ZINC000728977999 574143278 /nfs/dbraw/zinc/14/32/78/574143278.db2.gz JYSUCHSWTDCZCF-JTQLQIEISA-N 0 0 274.320 2.528 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2occc2C)c1 ZINC000728980190 574143369 /nfs/dbraw/zinc/14/33/69/574143369.db2.gz XLORJMIRZACXCU-SNVBAGLBSA-N 0 0 275.304 2.793 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC=CCC2)c1 ZINC000728980350 574143394 /nfs/dbraw/zinc/14/33/94/574143394.db2.gz CHLSPCLDBHCVMT-NWDGAFQWSA-N 0 0 275.348 2.934 20 10 CFCDRN Cc1ccc(OCCNC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732258532 574147406 /nfs/dbraw/zinc/14/74/06/574147406.db2.gz SVQIRHLZFCLTCX-UHFFFAOYSA-N 0 0 291.372 2.879 20 10 CFCDRN CC(=O)Nc1cccc(NC(=O)C2=CC(=O)CS2)c1C ZINC000732268186 574148223 /nfs/dbraw/zinc/14/82/23/574148223.db2.gz FSJLSZSQSDTSNI-UHFFFAOYSA-N 0 0 290.344 2.973 20 10 CFCDRN Nc1ccc(CC(=O)N2CCc3cc(F)c(F)cc32)cc1 ZINC000746410442 574148610 /nfs/dbraw/zinc/14/86/10/574148610.db2.gz CECGFHGNTOXIOQ-UHFFFAOYSA-N 0 0 288.297 2.679 20 10 CFCDRN C[C@@H](c1cccnc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732273402 574148881 /nfs/dbraw/zinc/14/88/81/574148881.db2.gz UVUUULJUQYQMGC-VIFPVBQESA-N 0 0 262.334 2.682 20 10 CFCDRN O=C(NCc1ccc(-n2ccnc2)cc1)C1=CC(=O)CS1 ZINC000732278631 574149190 /nfs/dbraw/zinc/14/91/90/574149190.db2.gz CZLMKPRZGAESCT-UHFFFAOYSA-N 0 0 299.355 2.569 20 10 CFCDRN CN(C(=O)C1=CC(=O)CS1)C1Cc2ccccc2C1 ZINC000732275701 574149455 /nfs/dbraw/zinc/14/94/55/574149455.db2.gz IFSGQBFSRPYLAU-UHFFFAOYSA-N 0 0 273.357 2.693 20 10 CFCDRN CC(C)(C)SCCNC(=O)C1=CC(=O)CS1 ZINC000732284689 574150210 /nfs/dbraw/zinc/15/02/10/574150210.db2.gz YFGYNACOBRDGNG-UHFFFAOYSA-N 0 0 259.396 2.715 20 10 CFCDRN O=C(NC1(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000732290994 574150779 /nfs/dbraw/zinc/15/07/79/574150779.db2.gz LMBDWWGMBITQOL-UHFFFAOYSA-N 0 0 259.330 2.873 20 10 CFCDRN CC(=O)Nc1cccc(COC(=O)C2=CC(=O)CS2)c1 ZINC000732353809 574152719 /nfs/dbraw/zinc/15/27/19/574152719.db2.gz WKWYKGXVUWZSAV-UHFFFAOYSA-N 0 0 291.328 2.769 20 10 CFCDRN Cc1cnc(CCN(C)C(=O)C2=CC(=O)CS2)s1 ZINC000755299505 574152877 /nfs/dbraw/zinc/15/28/77/574152877.db2.gz WSQZFYGDZNSWKQ-UHFFFAOYSA-N 0 0 282.390 2.533 20 10 CFCDRN Cc1ccccc1C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732354006 574153217 /nfs/dbraw/zinc/15/32/17/574153217.db2.gz YGGBKFVHVYVGQU-UHFFFAOYSA-N 0 0 276.313 2.802 20 10 CFCDRN Fc1cnc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000746690635 574163362 /nfs/dbraw/zinc/16/33/62/574163362.db2.gz FYDKTSYZTOYHIN-UHFFFAOYSA-N 0 0 272.327 2.828 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(C)n1 ZINC000755493545 574165392 /nfs/dbraw/zinc/16/53/92/574165392.db2.gz POJSGRACRNZJRJ-UHFFFAOYSA-N 0 0 299.374 2.851 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC(C)(F)F)cc1F ZINC000746799085 574166181 /nfs/dbraw/zinc/16/61/81/574166181.db2.gz ZVJBMGBXKKZSNZ-UHFFFAOYSA-N 0 0 288.313 2.943 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C/c1cnn(C)c1)CC2 ZINC000746790401 574166374 /nfs/dbraw/zinc/16/63/74/574166374.db2.gz OHNORCWXTXYBIE-BQYQJAHWSA-N 0 0 281.359 2.585 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1C ZINC000738463428 574170459 /nfs/dbraw/zinc/17/04/59/574170459.db2.gz BWKFGQQKMKWCTI-GFCCVEGCSA-N 0 0 277.364 2.694 20 10 CFCDRN O=C([O-])CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000738587813 574174695 /nfs/dbraw/zinc/17/46/95/574174695.db2.gz RQYUDRANVJUVKJ-UHFFFAOYSA-N 0 0 263.337 2.612 20 10 CFCDRN CCN(Cc1nsc(N(C)C)n1)c1ccc(OC)cc1 ZINC000747684363 574206562 /nfs/dbraw/zinc/20/65/62/574206562.db2.gz YYGXCLGDFJOCKD-UHFFFAOYSA-N 0 0 292.408 2.639 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H](O)COCC(C)C)cc1 ZINC000747683394 574206564 /nfs/dbraw/zinc/20/65/64/574206564.db2.gz VLMVROYDZNLNBA-INIZCTEOSA-N 0 0 295.423 2.945 20 10 CFCDRN CC(C)c1nnc(CNCc2ccc3c(c2)CCO3)s1 ZINC000756132420 574211854 /nfs/dbraw/zinc/21/18/54/574211854.db2.gz NTCPJRMQYDIXOZ-UHFFFAOYSA-N 0 0 289.404 2.886 20 10 CFCDRN CCN(CC)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756355540 574228807 /nfs/dbraw/zinc/22/88/07/574228807.db2.gz QZRCQUOQOKABBA-JTQLQIEISA-N 0 0 272.339 2.663 20 10 CFCDRN CCOc1ccc(N(C)CCCN2CCCC2=O)cc1 ZINC000739923649 574229847 /nfs/dbraw/zinc/22/98/47/574229847.db2.gz KOGNKIDZWQOXJX-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000756455344 574238716 /nfs/dbraw/zinc/23/87/16/574238716.db2.gz IOECCIQQQVDIKD-ONGXEEELSA-N 0 0 271.307 2.890 20 10 CFCDRN COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756462926 574239440 /nfs/dbraw/zinc/23/94/40/574239440.db2.gz BJUMWXSGBOKVQK-DTWKUNHWSA-N 0 0 259.296 2.604 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C2CC2)c1 ZINC000756482818 574240015 /nfs/dbraw/zinc/24/00/15/574240015.db2.gz MERCFGKQBFSMIN-QWRGUYRKSA-N 0 0 277.364 2.876 20 10 CFCDRN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccn(C)n1 ZINC000756514849 574242844 /nfs/dbraw/zinc/24/28/44/574242844.db2.gz JKIXHLJUMHZYJJ-CQSZACIVSA-N 0 0 271.364 2.596 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000756527259 574243816 /nfs/dbraw/zinc/24/38/16/574243816.db2.gz XOGCZLNYXCAIOP-SNVBAGLBSA-N 0 0 284.350 2.805 20 10 CFCDRN Cc1ncsc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756547664 574245501 /nfs/dbraw/zinc/24/55/01/574245501.db2.gz FSKZHDBFZVDLQA-QMMMGPOBSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756550627 574246543 /nfs/dbraw/zinc/24/65/43/574246543.db2.gz JHAGYHHYEIMNJA-ZWNOBZJWSA-N 0 0 296.361 2.805 20 10 CFCDRN CCOc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000748354320 574248966 /nfs/dbraw/zinc/24/89/66/574248966.db2.gz JSCVWUNFVJYBQV-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574651 574249424 /nfs/dbraw/zinc/24/94/24/574249424.db2.gz FGUHYBHBHBWIDE-ZIBATOQPSA-N 0 0 296.367 2.748 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCSC)c1 ZINC000756587176 574250678 /nfs/dbraw/zinc/25/06/78/574250678.db2.gz ZLRDOKYFXGKJBL-MNOVXSKESA-N 0 0 297.420 2.971 20 10 CFCDRN Cc1cnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606125 574251558 /nfs/dbraw/zinc/25/15/58/574251558.db2.gz BXMHXDCVSSAGQV-VIFPVBQESA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCOC1 ZINC000756611054 574251886 /nfs/dbraw/zinc/25/18/86/574251886.db2.gz JBRMHJGXWDXIBL-UTLUCORTSA-N 0 0 271.307 2.746 20 10 CFCDRN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(F)cc(F)c1[O-] ZINC000756617299 574252665 /nfs/dbraw/zinc/25/26/65/574252665.db2.gz HOJUWKJUSLZPOY-SECBINFHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756619095 574252812 /nfs/dbraw/zinc/25/28/12/574252812.db2.gz WGQQTMRQESYBMA-NWDGAFQWSA-N 0 0 266.360 2.666 20 10 CFCDRN COc1cc(F)ccc1NC(=O)NCc1ccccc1O ZINC000748441901 574252933 /nfs/dbraw/zinc/25/29/33/574252933.db2.gz AEOKUVFUUSHJOE-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN COC(=O)c1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756644744 574254788 /nfs/dbraw/zinc/25/47/88/574254788.db2.gz LQMNNAGMRQLQJB-UHFFFAOYSA-N 0 0 299.326 2.838 20 10 CFCDRN C[C@@H]([NH2+]CCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756648208 574254988 /nfs/dbraw/zinc/25/49/88/574254988.db2.gz HWUZBXRUJZSYJV-SSDOTTSWSA-N 0 0 278.230 2.903 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(F)cc(F)c1[O-] ZINC000756645501 574255004 /nfs/dbraw/zinc/25/50/04/574255004.db2.gz GJFGYQNJFTWGQX-KCJUWKMLSA-N 0 0 293.317 2.602 20 10 CFCDRN COC(=O)c1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC000756646165 574255179 /nfs/dbraw/zinc/25/51/79/574255179.db2.gz RLMQORJCECILIL-UHFFFAOYSA-N 0 0 299.326 2.838 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)cc(F)c1[O-] ZINC000756645497 574255197 /nfs/dbraw/zinc/25/51/97/574255197.db2.gz GJFGYQNJFTWGQX-GZMMTYOYSA-N 0 0 293.317 2.602 20 10 CFCDRN CC(C)CNC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740631485 574259431 /nfs/dbraw/zinc/25/94/31/574259431.db2.gz ONIQKGZGGRDAFV-UHFFFAOYSA-N 0 0 289.448 2.683 20 10 CFCDRN Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000756748019 574260398 /nfs/dbraw/zinc/26/03/98/574260398.db2.gz UVAZXRXIOYKBRO-LBPRGKRZSA-N 0 0 289.354 2.997 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756768989 574260944 /nfs/dbraw/zinc/26/09/44/574260944.db2.gz CNPZRERLBSMBBQ-NSHDSACASA-N 0 0 296.367 2.750 20 10 CFCDRN CC(C)CSCCCNC(=O)C1=CC(=O)CS1 ZINC000756810768 574264579 /nfs/dbraw/zinc/26/45/79/574264579.db2.gz PNYXYBUSLSVBGY-UHFFFAOYSA-N 0 0 273.423 2.963 20 10 CFCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000740870768 574271643 /nfs/dbraw/zinc/27/16/43/574271643.db2.gz IEFCUODRWVUFJQ-UHFFFAOYSA-N 0 0 296.330 2.978 20 10 CFCDRN C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000741083197 574281100 /nfs/dbraw/zinc/28/11/00/574281100.db2.gz MFOPZDCVIOGDBB-VXGBXAGGSA-N 0 0 293.386 2.832 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCOC[C@@H]1CCCO1 ZINC000741244978 574284383 /nfs/dbraw/zinc/28/43/83/574284383.db2.gz MUAZEJVIRVRNOB-INIZCTEOSA-N 0 0 291.391 2.643 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=S)NCC(C)C ZINC000734386070 574286138 /nfs/dbraw/zinc/28/61/38/574286138.db2.gz RDJPVQROXLNWOU-UHFFFAOYSA-N 0 0 279.453 2.681 20 10 CFCDRN Oc1ccc(CCNc2cnc3ccccc3n2)cc1O ZINC000749287161 574288105 /nfs/dbraw/zinc/28/81/05/574288105.db2.gz FMJOLRRYERLZIH-UHFFFAOYSA-N 0 0 281.315 2.696 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cccnc1[N+](=O)[O-] ZINC000734482666 574288409 /nfs/dbraw/zinc/28/84/09/574288409.db2.gz RZCBFVJCWUJBOT-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC1(C)C ZINC000734532950 574292256 /nfs/dbraw/zinc/29/22/56/574292256.db2.gz ZVXOUZONBVHUAK-AWEZNQCLSA-N 0 0 289.423 2.906 20 10 CFCDRN O=C(C1=CC(=O)CS1)N(CC1CC1)CC1CC1 ZINC000734555553 574292893 /nfs/dbraw/zinc/29/28/93/574292893.db2.gz XNWCRWGIZIPFSJ-UHFFFAOYSA-N 0 0 251.351 2.716 20 10 CFCDRN CCCOC(=O)[C@H](C)N(CC)c1ccc(OC)cc1 ZINC000741780540 574302439 /nfs/dbraw/zinc/30/24/39/574302439.db2.gz ILHMCRSBHSKNJW-LBPRGKRZSA-N 0 0 265.353 2.863 20 10 CFCDRN CCCNC(=S)NCc1c(O)ccc2c1CCCC2 ZINC000741873255 574308320 /nfs/dbraw/zinc/30/83/20/574308320.db2.gz DHGQYJLQHGPPFM-UHFFFAOYSA-N 0 0 278.421 2.645 20 10 CFCDRN Cc1cccnc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749878816 574313408 /nfs/dbraw/zinc/31/34/08/574313408.db2.gz NEZDTGOHSWCJSE-UHFFFAOYSA-N 0 0 283.375 2.728 20 10 CFCDRN O=C(CNc1ccccc1Cl)NCc1ccccc1O ZINC000750239022 574331391 /nfs/dbraw/zinc/33/13/91/574331391.db2.gz JICQHUPTURPYEO-UHFFFAOYSA-N 0 0 290.750 2.774 20 10 CFCDRN CN1CCCc2cc(CNC(=O)/C=C\C3CC3)ccc21 ZINC000742596978 574336317 /nfs/dbraw/zinc/33/63/17/574336317.db2.gz HPNUVQQHRMZNRE-CLFYSBASSA-N 0 0 270.376 2.651 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nnc2n1CCCC2 ZINC000750517543 574344746 /nfs/dbraw/zinc/34/47/46/574344746.db2.gz BEBLJNJLVSVJNC-UHFFFAOYSA-N 0 0 298.390 2.576 20 10 CFCDRN CCOc1ccc(NC(=S)NCc2cccn2C)cc1 ZINC000743061919 574352847 /nfs/dbraw/zinc/35/28/47/574352847.db2.gz QZPRGCXCUCUQJI-UHFFFAOYSA-N 0 0 289.404 2.910 20 10 CFCDRN C[C@H](NC(=S)NCc1cccn1C)c1cccs1 ZINC000743061273 574352946 /nfs/dbraw/zinc/35/29/46/574352946.db2.gz HFBQKFQCZNDNEN-JTQLQIEISA-N 0 0 279.434 2.812 20 10 CFCDRN CCc1cnc(NC(=O)NCc2ccccc2O)s1 ZINC000743219504 574355293 /nfs/dbraw/zinc/35/52/93/574355293.db2.gz HDSIIXOJFLJBSE-UHFFFAOYSA-N 0 0 277.349 2.733 20 10 CFCDRN Cc1ccc([C@H](C)C(=O)NCc2ccccc2O)o1 ZINC000743327402 574358443 /nfs/dbraw/zinc/35/84/43/574358443.db2.gz MTBKSYMRDYXQRJ-NSHDSACASA-N 0 0 259.305 2.714 20 10 CFCDRN Cn1cccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000743498267 574367086 /nfs/dbraw/zinc/36/70/86/574367086.db2.gz OOZPKOCCOJPYRN-UHFFFAOYSA-N 0 0 295.180 2.783 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccncc1 ZINC000743502822 574367356 /nfs/dbraw/zinc/36/73/56/574367356.db2.gz JQSDDBKZYRJJJN-NSHDSACASA-N 0 0 262.334 2.730 20 10 CFCDRN C[C@H](CCc1cccn1C)NC(=O)C1=CC(=O)CS1 ZINC000743712611 574371112 /nfs/dbraw/zinc/37/11/12/574371112.db2.gz WEXLGABPKVGZEY-SNVBAGLBSA-N 0 0 278.377 2.543 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1cccc(F)c1 ZINC000743716737 574371295 /nfs/dbraw/zinc/37/12/95/574371295.db2.gz LLZIIIJWXSICIT-SECBINFHSA-N 0 0 295.335 2.790 20 10 CFCDRN CC(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCS1 ZINC000743788826 574372188 /nfs/dbraw/zinc/37/21/88/574372188.db2.gz SBBUWGYANZYNIE-NSHDSACASA-N 0 0 271.407 2.667 20 10 CFCDRN CN1CCc2cc([C@@H]3Nc4cc(F)ccc4C(=O)N3)ccc21 ZINC000751523650 574378297 /nfs/dbraw/zinc/37/82/97/574378297.db2.gz GEURCNNDZVXKAG-MRXNPFEDSA-N 0 0 297.333 2.672 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCS1 ZINC000753263433 574400903 /nfs/dbraw/zinc/40/09/03/574400903.db2.gz OIEPDPZFTPXBDD-CYBMUJFWSA-N 0 0 294.420 2.819 20 10 CFCDRN CS[C@H](CNC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000753473849 574402948 /nfs/dbraw/zinc/40/29/48/574402948.db2.gz MGNZLSOOFTTXOL-SNVBAGLBSA-N 0 0 273.423 2.961 20 10 CFCDRN CC(C)C1CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000753550069 574404423 /nfs/dbraw/zinc/40/44/23/574404423.db2.gz OCHOTTYUBNIHGO-UHFFFAOYSA-N 0 0 275.396 2.550 20 10 CFCDRN Cc1cc(O)c(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1C ZINC000821046060 600808356 /nfs/dbraw/zinc/80/83/56/600808356.db2.gz PLDSPKZTBCOEEN-UHFFFAOYSA-N 0 0 277.364 2.742 20 10 CFCDRN C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000251875389 601816845 /nfs/dbraw/zinc/81/68/45/601816845.db2.gz UJISWMXXHFLTFH-SMDDNHRTSA-N 0 0 285.343 2.698 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2CCCC2(F)F)c(O)c1 ZINC000935771626 649941443 /nfs/dbraw/zinc/94/14/43/649941443.db2.gz WRDZYHHTFIVCNK-LLVKDONJSA-N 0 0 299.317 2.843 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c(O)c1 ZINC000935771427 649941787 /nfs/dbraw/zinc/94/17/87/649941787.db2.gz RVJMRRBLJQVSTK-GZCFXPHUSA-N 0 0 289.375 2.699 20 10 CFCDRN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000833772409 604529592 /nfs/dbraw/zinc/52/95/92/604529592.db2.gz DBRPYXNFEZHDAN-INIZCTEOSA-N 0 0 288.391 2.726 20 10 CFCDRN CC(C)[N@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000086748066 604643019 /nfs/dbraw/zinc/64/30/19/604643019.db2.gz XWUOVRJDQAFHBC-UHFFFAOYSA-N 0 0 271.744 2.731 20 10 CFCDRN C[C@@H]([NH2+]C1CCN(C(=O)[O-])CC1)c1ccc(N(C)C)cc1 ZINC000825479731 604980814 /nfs/dbraw/zinc/98/08/14/604980814.db2.gz PYYFDHDJJIDXBR-GFCCVEGCSA-N 0 0 291.395 2.546 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])co2)c1 ZINC000833733599 605127105 /nfs/dbraw/zinc/12/71/05/605127105.db2.gz LAYRXQCOUJXSRC-SECBINFHSA-N 0 0 291.303 2.543 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2occc2C(=O)[O-])c1 ZINC000833733743 605127714 /nfs/dbraw/zinc/12/77/14/605127714.db2.gz OKCFCZRURWXQEV-SECBINFHSA-N 0 0 291.303 2.543 20 10 CFCDRN COc1ccc(O)c(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000833733823 605520020 /nfs/dbraw/zinc/52/00/20/605520020.db2.gz RRHFWBBSICTVAN-BBRMVZONSA-N 0 0 293.363 2.524 20 10 CFCDRN O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000834221348 605556166 /nfs/dbraw/zinc/55/61/66/605556166.db2.gz RMWKUOXUOVJPGP-JTQLQIEISA-N 0 0 298.770 2.525 20 10 CFCDRN C[C@@H](C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1)C(=O)[O-] ZINC000833516550 605750749 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ZINC000726881711 619267200 /nfs/dbraw/zinc/26/72/00/619267200.db2.gz GACLUTQIIRFSGI-UHFFFAOYSA-N 0 0 268.364 2.643 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)ccnc2N)cc1F ZINC000894430060 619382073 /nfs/dbraw/zinc/38/20/73/619382073.db2.gz XYRLAINEKIWWNU-UHFFFAOYSA-N 0 0 275.327 2.756 20 10 CFCDRN COC(=O)COc1ccc(N(C)Cc2cc(C)co2)cc1 ZINC000894445861 619387917 /nfs/dbraw/zinc/38/79/17/619387917.db2.gz PRPSRMOCGGJXHD-UHFFFAOYSA-N 0 0 289.331 2.776 20 10 CFCDRN COc1cc(C)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000894451019 619388870 /nfs/dbraw/zinc/38/88/70/619388870.db2.gz YDALYPZCCVJFRE-UHFFFAOYSA-N 0 0 272.348 2.736 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000894669603 619439419 /nfs/dbraw/zinc/43/94/19/619439419.db2.gz ZSAVUKDLDBGZSN-UHFFFAOYSA-N 0 0 283.318 2.529 20 10 CFCDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894760094 619456670 /nfs/dbraw/zinc/45/66/70/619456670.db2.gz HQXURKCYFUUYSM-XHDPSFHLSA-N 0 0 296.361 2.729 20 10 CFCDRN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783404 619466640 /nfs/dbraw/zinc/46/66/40/619466640.db2.gz TUWKAOSLYFVHIU-GFCCVEGCSA-N 0 0 273.323 2.509 20 10 CFCDRN COc1cc(C)cc(CN[C@H](C)C(F)(F)F)c1O ZINC000894785583 619467178 /nfs/dbraw/zinc/46/71/78/619467178.db2.gz WVIQRZDABHOWPK-MRVPVSSYSA-N 0 0 263.259 2.750 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000894890222 619499512 /nfs/dbraw/zinc/49/95/12/619499512.db2.gz ZWRBXPASHLJVEH-CFVMTHIKSA-N 0 0 297.345 2.796 20 10 CFCDRN CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895670089 619582541 /nfs/dbraw/zinc/58/25/41/619582541.db2.gz BPUGJQYWHLUVEJ-LBPRGKRZSA-N 0 0 268.788 2.538 20 10 CFCDRN CCOc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000895784628 619606359 /nfs/dbraw/zinc/60/63/59/619606359.db2.gz KABBJMWQFGTVSP-UHFFFAOYSA-N 0 0 259.305 2.900 20 10 CFCDRN Cc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(O)c1 ZINC000895817197 619614237 /nfs/dbraw/zinc/61/42/37/619614237.db2.gz HAJZANDGEJGBPV-JLJPHGGASA-N 0 0 291.391 2.517 20 10 CFCDRN CC(C)Oc1cc(NCc2c(O)cccc2F)ncn1 ZINC000895832625 619619452 /nfs/dbraw/zinc/61/94/52/619619452.db2.gz JIJCDJTYBOWIIL-UHFFFAOYSA-N 0 0 277.299 2.721 20 10 CFCDRN O=C(C[C@H]1CCC2(CCC2)CO1)NCc1ccccc1O ZINC000896015751 619655238 /nfs/dbraw/zinc/65/52/38/619655238.db2.gz SCDAQBPDPSENSS-CQSZACIVSA-N 0 0 289.375 2.748 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)CO1 ZINC000896056365 619662731 /nfs/dbraw/zinc/66/27/31/619662731.db2.gz DITHCBPTSADGOI-IUODEOHRSA-N 0 0 277.364 2.556 20 10 CFCDRN CC[C@@H](COC)[NH2+]Cc1cccc(Br)c1[O-] ZINC000070657921 625368035 /nfs/dbraw/zinc/36/80/35/625368035.db2.gz ULOCWEDFYAYTKM-JTQLQIEISA-N 0 0 288.185 2.669 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]C1CC(CF)(CF)C1 ZINC000896636971 619779817 /nfs/dbraw/zinc/77/98/17/619779817.db2.gz HGUUTVYXQZKVIO-UHFFFAOYSA-N 0 0 259.271 2.709 20 10 CFCDRN COC[C@@H](CC(C)C)[NH2+]Cc1c([O-])cccc1F ZINC000896637946 619780556 /nfs/dbraw/zinc/78/05/56/619780556.db2.gz SEXVCLBGZNLNOT-LLVKDONJSA-N 0 0 255.333 2.682 20 10 CFCDRN CN(C)c1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1 ZINC000896639062 619780990 /nfs/dbraw/zinc/78/09/90/619780990.db2.gz AADRWEIQMHQISG-UHFFFAOYSA-N 0 0 274.339 2.887 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCCO1 ZINC000896923593 619892919 /nfs/dbraw/zinc/89/29/19/619892919.db2.gz KJQJXXIQXMATNY-AWEZNQCLSA-N 0 0 271.307 2.719 20 10 CFCDRN [O-]c1c(C[NH2+]Cc2cccc3c2OCC3)ccc(F)c1F ZINC000897207049 619950200 /nfs/dbraw/zinc/95/02/00/619950200.db2.gz VOWXFHISGMCKTA-UHFFFAOYSA-N 0 0 291.297 2.895 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928712635 619997219 /nfs/dbraw/zinc/99/72/19/619997219.db2.gz UXRYGRYJCCDWHN-SNVBAGLBSA-N 0 0 253.317 2.974 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccsc2)c1 ZINC000728983547 620047958 /nfs/dbraw/zinc/04/79/58/620047958.db2.gz AVKSRTAMQYCOQF-VIFPVBQESA-N 0 0 277.345 2.953 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897388403 620090949 /nfs/dbraw/zinc/09/09/49/620090949.db2.gz DRMVJUHUSMSDRM-ZUZCIYMTSA-N 0 0 297.757 2.986 20 10 CFCDRN COCC(C)(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000079756627 620137611 /nfs/dbraw/zinc/13/76/11/620137611.db2.gz VVMCSABJRFXUCQ-UHFFFAOYSA-N 0 0 285.771 2.763 20 10 CFCDRN COc1ccc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000263476017 620148294 /nfs/dbraw/zinc/14/82/94/620148294.db2.gz JGZZTEJQJOJNQH-AWEZNQCLSA-N 0 0 279.380 2.840 20 10 CFCDRN C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(Cl)cc1[O-] ZINC000841752267 620219111 /nfs/dbraw/zinc/21/91/11/620219111.db2.gz NXGFHPNKWGIFHX-SNVBAGLBSA-N 0 0 269.772 2.859 20 10 CFCDRN COc1cccc(CNc2cnc3c(c2)c(C)nn3C)c1O ZINC000237436966 620219220 /nfs/dbraw/zinc/21/92/20/620219220.db2.gz YNTGQBZTLDXAJK-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(F)cc1[O-] ZINC000841765152 620264306 /nfs/dbraw/zinc/26/43/06/620264306.db2.gz NHYOVDHLWZCXSD-GXSJLCMTSA-N 0 0 288.313 2.521 20 10 CFCDRN CCC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)OC ZINC000897834293 620291406 /nfs/dbraw/zinc/29/14/06/620291406.db2.gz LZRUZLGJIGWLMY-QKIRZYONSA-N 0 0 290.407 2.697 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC2(CC2)C1 ZINC000897873300 620295586 /nfs/dbraw/zinc/29/55/86/620295586.db2.gz RRBMUJXUZHDARD-UHFFFAOYSA-N 0 0 275.329 2.549 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)ccc(F)c1F ZINC000897960084 620312419 /nfs/dbraw/zinc/31/24/19/620312419.db2.gz YSLDNJYURIBHIP-HLUHBDAQSA-N 0 0 253.292 2.949 20 10 CFCDRN CC(C)(C)n1cc(C[NH2+]Cc2cccc(Cl)c2[O-])nn1 ZINC000898219323 620347214 /nfs/dbraw/zinc/34/72/14/620347214.db2.gz WZTUTXAOFGTFGY-UHFFFAOYSA-N 0 0 294.786 2.682 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cncs2)c1 ZINC000898179307 620347502 /nfs/dbraw/zinc/34/75/02/620347502.db2.gz JLLZSKJPBJJDRH-JTQLQIEISA-N 0 0 291.376 2.718 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1cncs1)c1ccccc1O ZINC000898180421 620347976 /nfs/dbraw/zinc/34/79/76/620347976.db2.gz ZGYYDURGZGMTIW-ZJUUUORDSA-N 0 0 291.376 2.970 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@@H](O)[C@@H](F)C2)cc1F ZINC000898192450 620350924 /nfs/dbraw/zinc/35/09/24/620350924.db2.gz JNBIUSMLRSSOFU-GOEBONIOSA-N 0 0 298.377 2.577 20 10 CFCDRN Cc1ccc(C[NH2+]CCc2cccnc2C)c(O)c1 ZINC000898250583 620357041 /nfs/dbraw/zinc/35/70/41/620357041.db2.gz VBXQJNBIGFMTLO-UHFFFAOYSA-N 0 0 256.349 2.736 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000898259920 620359669 /nfs/dbraw/zinc/35/96/69/620359669.db2.gz UQWCFPOSMOWPGP-MRVWCRGKSA-N 0 0 274.364 2.688 20 10 CFCDRN CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000898279675 620363900 /nfs/dbraw/zinc/36/39/00/620363900.db2.gz IVBXHEMLLKFCQA-GFCCVEGCSA-N 0 0 296.798 2.535 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1O ZINC000898257219 620365382 /nfs/dbraw/zinc/36/53/82/620365382.db2.gz PVXRXFRHHKGDHD-UVLXDEKHSA-N 0 0 274.364 2.941 20 10 CFCDRN CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000866415195 620402449 /nfs/dbraw/zinc/40/24/49/620402449.db2.gz ROXVUECXMOXAKY-KOLCDFICSA-N 0 0 273.323 2.872 20 10 CFCDRN Cc1nonc1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000924648206 620433057 /nfs/dbraw/zinc/43/30/57/620433057.db2.gz KTTQKZCLWOUVMR-LBPRGKRZSA-N 0 0 286.379 2.829 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000927019205 620440110 /nfs/dbraw/zinc/44/01/10/620440110.db2.gz CXMSOCWTLCMSGT-WDEREUQCSA-N 0 0 255.333 2.733 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cnn(C)n2)cc1 ZINC000924711079 620449763 /nfs/dbraw/zinc/44/97/63/620449763.db2.gz QGHWEZFCNXDOKF-ZDUSSCGKSA-N 0 0 287.411 2.512 20 10 CFCDRN Cc1ncccc1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000898920725 620505635 /nfs/dbraw/zinc/50/56/35/620505635.db2.gz FKPXBZNAVWHNMP-CYBMUJFWSA-N 0 0 299.374 2.699 20 10 CFCDRN C[C@@H](NC(=O)NC/C=C\Cl)c1ccccc1O ZINC000899031819 620516686 /nfs/dbraw/zinc/51/66/86/620516686.db2.gz JIMVLVTWLQBXMI-WQAKUFEDSA-N 0 0 254.717 2.505 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCOC3(CCC3)C2)c1 ZINC000899134116 620523431 /nfs/dbraw/zinc/52/34/31/620523431.db2.gz UNKHUYBQAPZLIY-ZDUSSCGKSA-N 0 0 289.375 2.666 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000324930735 625436270 /nfs/dbraw/zinc/43/62/70/625436270.db2.gz UVYMBWFTQADLGB-CQSZACIVSA-N 0 0 259.353 2.969 20 10 CFCDRN O=S(=O)(CCC1CC1)Nc1cc(F)c(O)cc1Cl ZINC000901962745 620946359 /nfs/dbraw/zinc/94/63/59/620946359.db2.gz MEYPBTGONPMFCW-UHFFFAOYSA-N 0 0 293.747 2.727 20 10 CFCDRN COCc1nccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC000902139119 620980839 /nfs/dbraw/zinc/98/08/39/620980839.db2.gz OQTQEOHFCBYLTK-UHFFFAOYSA-N 0 0 293.754 2.903 20 10 CFCDRN CCc1ncc(NCc2cc(C)c(C)cc2O)cn1 ZINC000902206113 620998123 /nfs/dbraw/zinc/99/81/23/620998123.db2.gz ZLJFOBVDLNMEAS-UHFFFAOYSA-N 0 0 257.337 2.974 20 10 CFCDRN Cc1cc(O)c(CNc2cc(C)cn(C)c2=O)c(Cl)c1 ZINC000902260083 621008398 /nfs/dbraw/zinc/00/83/98/621008398.db2.gz PKMJZHUPJTYXLS-UHFFFAOYSA-N 0 0 292.766 2.973 20 10 CFCDRN CCCSC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841796581 621059671 /nfs/dbraw/zinc/05/96/71/621059671.db2.gz QWEYRIRIONQXKF-ZDUSSCGKSA-N 0 0 297.420 2.690 20 10 CFCDRN C[C@H](NC[C@H]1CCCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000902482385 621109863 /nfs/dbraw/zinc/10/98/63/621109863.db2.gz KPFUMGNMHHLAPN-CMPLNLGQSA-N 0 0 284.350 2.853 20 10 CFCDRN [NH3+]CC[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000841073206 621113709 /nfs/dbraw/zinc/11/37/09/621113709.db2.gz FUYOARVRIQZYLP-VIFPVBQESA-N 0 0 299.148 2.771 20 10 CFCDRN CN(C)c1ccc(CNc2nnn(C)c2C(F)F)cc1F ZINC000902711448 621153946 /nfs/dbraw/zinc/15/39/46/621153946.db2.gz XFPJTHBHPVFCHR-UHFFFAOYSA-N 0 0 299.300 2.570 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1[O-] ZINC000903198584 621282912 /nfs/dbraw/zinc/28/29/12/621282912.db2.gz MPHBHVBUYCFCOU-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN COc1cccc([C@@H](C)N[C@H](c2ncccn2)C2CC2)c1O ZINC000903322235 621322763 /nfs/dbraw/zinc/32/27/63/621322763.db2.gz HGAIPLGJCJOTAY-ABAIWWIYSA-N 0 0 299.374 2.993 20 10 CFCDRN CO[C@@]1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCSC1 ZINC000903316967 621330085 /nfs/dbraw/zinc/33/00/85/621330085.db2.gz RGLQMGVACVNHFK-QMTHXVAHSA-N 0 0 285.384 2.704 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1c([O-])cccc1F ZINC000903391441 621350632 /nfs/dbraw/zinc/35/06/32/621350632.db2.gz YKOFTNBUYDSQQM-SMDDNHRTSA-N 0 0 295.354 2.520 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000903451460 621386799 /nfs/dbraw/zinc/38/67/99/621386799.db2.gz WBZJZQWMPGAJCU-LOWVWBTDSA-N 0 0 295.354 2.914 20 10 CFCDRN COc1ccccc1NC[C@H](O)CC1(O)CCCCC1 ZINC000905300487 621744912 /nfs/dbraw/zinc/74/49/12/621744912.db2.gz NXJIOMMZAJZKPM-CYBMUJFWSA-N 0 0 279.380 2.553 20 10 CFCDRN COc1ccccc1NC[C@@H](O)CC1(O)CCCCC1 ZINC000905300490 621744946 /nfs/dbraw/zinc/74/49/46/621744946.db2.gz NXJIOMMZAJZKPM-ZDUSSCGKSA-N 0 0 279.380 2.553 20 10 CFCDRN CCCOc1ccccc1NC[C@@H](O)CCC1(O)CCC1 ZINC000905301313 621745488 /nfs/dbraw/zinc/74/54/88/621745488.db2.gz OAGCTCKRJDIEFK-AWEZNQCLSA-N 0 0 293.407 2.943 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1nc(C2CC2)no1 ZINC000905411909 621761958 /nfs/dbraw/zinc/76/19/58/621761958.db2.gz PRPAAABAYFDMPC-UHFFFAOYSA-N 0 0 267.235 2.543 20 10 CFCDRN C[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000906112030 621931939 /nfs/dbraw/zinc/93/19/39/621931939.db2.gz SNBRXZHQCZBLBZ-NNNHXZLVSA-N 0 0 299.349 2.798 20 10 CFCDRN CCCCSCCC(=O)NCc1cc(OC)ccc1O ZINC000155218001 622037055 /nfs/dbraw/zinc/03/70/55/622037055.db2.gz NCQPSGHUXLWYEK-UHFFFAOYSA-N 0 0 297.420 2.940 20 10 CFCDRN Oc1cc2c(cc1CNc1ccc(Cl)nc1)OCO2 ZINC000149447805 622159851 /nfs/dbraw/zinc/15/98/51/622159851.db2.gz NYFBGHCHEFUUNW-UHFFFAOYSA-N 0 0 278.695 2.781 20 10 CFCDRN Cc1nnsc1[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000909004571 622297763 /nfs/dbraw/zinc/29/77/63/622297763.db2.gz XHRZLDADIKVWOC-LURJTMIESA-N 0 0 270.335 2.532 20 10 CFCDRN O=C(OC[C@@H]1CCCC2(CCC2)O1)c1cccc(O)c1O ZINC000909193702 622325486 /nfs/dbraw/zinc/32/54/86/622325486.db2.gz LDVUNFOYPGLJRS-NSHDSACASA-N 0 0 292.331 2.746 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)cc2O)c(C)c1 ZINC000910950666 622489207 /nfs/dbraw/zinc/48/92/07/622489207.db2.gz ZTRBJSMJXQPIOG-UHFFFAOYSA-N 0 0 299.370 2.882 20 10 CFCDRN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910951925 622489269 /nfs/dbraw/zinc/48/92/69/622489269.db2.gz YMMDWVSXAANNBT-WDEREUQCSA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(C[C@H]1CCc2ccccc21)NCc1ccc(O)cc1O ZINC000910951050 622489443 /nfs/dbraw/zinc/48/94/43/622489443.db2.gz OHSIAUXAGGZTGG-CYBMUJFWSA-N 0 0 297.354 2.834 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]1C1CCCC1 ZINC000910942571 622491214 /nfs/dbraw/zinc/49/12/14/622491214.db2.gz FICIDIZBVYENHB-KBPBESRZSA-N 0 0 275.348 2.540 20 10 CFCDRN CCCCCCO[C@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910945013 622491681 /nfs/dbraw/zinc/49/16/81/622491681.db2.gz SGXUBUNLJSSTOV-GFCCVEGCSA-N 0 0 295.379 2.699 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)C[C@H]1C ZINC000910944935 622491733 /nfs/dbraw/zinc/49/17/33/622491733.db2.gz PYRZSEZDRIKZSY-IJLUTSLNSA-N 0 0 277.364 2.786 20 10 CFCDRN Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910944448 622492002 /nfs/dbraw/zinc/49/20/02/622492002.db2.gz MKMJXYNTUDUEOA-HOTGVXAUSA-N 0 0 297.354 2.826 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000841813358 622499002 /nfs/dbraw/zinc/49/90/02/622499002.db2.gz LPNFCMUOFGGEQS-CQSZACIVSA-N 0 0 290.407 2.877 20 10 CFCDRN O=C(NCc1ccc2cccnc2c1O)C1(C2CC2)CC1 ZINC000911261714 622516224 /nfs/dbraw/zinc/51/62/24/622516224.db2.gz KWZOBTZDMDNXOO-UHFFFAOYSA-N 0 0 282.343 2.747 20 10 CFCDRN COc1ccc(N2CC[C@@H](CNc3ncc(C)cn3)C2)cc1 ZINC000819935923 622576655 /nfs/dbraw/zinc/57/66/55/622576655.db2.gz OWHDNQOPPZZZEV-AWEZNQCLSA-N 0 0 298.390 2.732 20 10 CFCDRN CC(C)CCn1nccc1NC(=O)C1=CC(=O)CS1 ZINC000820064019 622606373 /nfs/dbraw/zinc/60/63/73/622606373.db2.gz ZCIDJRPBVIFPMK-UHFFFAOYSA-N 0 0 279.365 2.949 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC=CCC2)cc1 ZINC000820116901 622613418 /nfs/dbraw/zinc/61/34/18/622613418.db2.gz ZPXLVONEVKNVSW-NSHDSACASA-N 0 0 272.308 2.688 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1 ZINC000912400647 622705797 /nfs/dbraw/zinc/70/57/97/622705797.db2.gz AWXVNBRQIAKENA-LLVKDONJSA-N 0 0 293.386 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2.635 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nccn1C ZINC000827722187 624075873 /nfs/dbraw/zinc/07/58/73/624075873.db2.gz BXLTYYIDRMCCNI-MRVPVSSYSA-N 0 0 283.734 2.769 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H]1CCCc2cccnc21 ZINC000915524145 624076024 /nfs/dbraw/zinc/07/60/24/624076024.db2.gz ACCNRMQCWUQNOJ-AWEZNQCLSA-N 0 0 297.358 2.664 20 10 CFCDRN COc1ccc(O)c([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1 ZINC000153688659 624092870 /nfs/dbraw/zinc/09/28/70/624092870.db2.gz RRFAHYQHLRSGSC-MRXNPFEDSA-N 0 0 298.342 2.906 20 10 CFCDRN Cc1nc(CN(C)C/C=C/c2ccc(N(C)C)cc2)no1 ZINC000827898696 624123189 /nfs/dbraw/zinc/12/31/89/624123189.db2.gz SSTLEKQSCSCELV-AATRIKPKSA-N 0 0 286.379 2.589 20 10 CFCDRN CCc1noc(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827923305 624128885 /nfs/dbraw/zinc/12/88/85/624128885.db2.gz OINJWCQBJGHPNW-SECBINFHSA-N 0 0 274.320 2.742 20 10 CFCDRN C[C@@H](NC(=O)COCCc1ccccc1)c1ccccc1O ZINC000827930922 624130158 /nfs/dbraw/zinc/13/01/58/624130158.db2.gz VCGLFTFLWXQRSG-CQSZACIVSA-N 0 0 299.370 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624142554 /nfs/dbraw/zinc/14/25/54/624142554.db2.gz VREXVNRHGDNCCO-XHDPSFHLSA-N 0 0 277.364 2.511 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978038 624145156 /nfs/dbraw/zinc/14/51/56/624145156.db2.gz HAZUYZXLGWTOPX-ZJUUUORDSA-N 0 0 288.347 2.978 20 10 CFCDRN C[C@H](NC(=O)c1ccnc(C2CC2)n1)c1ccccc1O ZINC000827977987 624145279 /nfs/dbraw/zinc/14/52/79/624145279.db2.gz FMHSEYIZKMDXRZ-JTQLQIEISA-N 0 0 283.331 2.551 20 10 CFCDRN COc1ccc(CNc2nnc(C(C)C)o2)c(O)c1 ZINC000828068000 624164057 /nfs/dbraw/zinc/16/40/57/624164057.db2.gz QFYVBCQVARYPOD-UHFFFAOYSA-N 0 0 263.297 2.519 20 10 CFCDRN CCN(Cc1cn(C)nc1C)c1ccc(OC)c(OC)c1 ZINC000828162508 624189469 /nfs/dbraw/zinc/18/94/69/624189469.db2.gz HTYQWDMSONYGSH-UHFFFAOYSA-N 0 0 289.379 2.772 20 10 CFCDRN CCCONC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000828269172 624219017 /nfs/dbraw/zinc/21/90/17/624219017.db2.gz UEERMDBJHGXCFE-UHFFFAOYSA-N 0 0 297.374 2.813 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn[nH]c2)cc1 ZINC000916137846 624224870 /nfs/dbraw/zinc/22/48/70/624224870.db2.gz GCSZSGZINOSJOY-UHFFFAOYSA-N 0 0 286.379 2.528 20 10 CFCDRN Cc1cc(C(=O)Nc2nncs2)c(C)n1-c1ccccn1 ZINC000916162356 624226451 /nfs/dbraw/zinc/22/64/51/624226451.db2.gz MHKSGCFJKRFQLQ-UHFFFAOYSA-N 0 0 299.359 2.593 20 10 CFCDRN CC(C)(C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000828328110 624229234 /nfs/dbraw/zinc/22/92/34/624229234.db2.gz MGGHOQORJIINPN-VIFPVBQESA-N 0 0 281.327 2.745 20 10 CFCDRN CC1=C(C(=O)N[C@H](C)c2ccccc2O)CCN1C(C)C ZINC000828538933 624265140 /nfs/dbraw/zinc/26/51/40/624265140.db2.gz FGKHNKLYKWHJEF-GFCCVEGCSA-N 0 0 288.391 2.958 20 10 CFCDRN Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)s1 ZINC000916617683 624265619 /nfs/dbraw/zinc/26/56/19/624265619.db2.gz WQPWKJUHTAWTAJ-UHFFFAOYSA-N 0 0 292.312 2.507 20 10 CFCDRN Cc1c[nH]cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000917117846 624313836 /nfs/dbraw/zinc/31/38/36/624313836.db2.gz WZTKIOMVFINMAW-UHFFFAOYSA-N 0 0 283.375 2.853 20 10 CFCDRN C[C@@H](NC(=O)CSC(F)F)c1ccc(N(C)C)cc1 ZINC000828861938 624315791 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/nfs/dbraw/zinc/42/33/80/624423380.db2.gz HPYXRVICUIVZIE-TWGQIWQCSA-N 0 0 267.332 2.851 20 10 CFCDRN COC(=O)c1cnc(SCC[C@@H]2CCCCO2)s1 ZINC000829677527 624505862 /nfs/dbraw/zinc/50/58/62/624505862.db2.gz BOJBVQAMUQAMQN-VIFPVBQESA-N 0 0 287.406 2.981 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C)c2cnc(C)cn2)s1 ZINC000829678055 624506298 /nfs/dbraw/zinc/50/62/98/624506298.db2.gz XJDWBOOVKBBOAS-MRVPVSSYSA-N 0 0 295.389 2.881 20 10 CFCDRN COC(=O)c1cnc(SCC[C@H]2CCCCO2)s1 ZINC000829677526 624506321 /nfs/dbraw/zinc/50/63/21/624506321.db2.gz BOJBVQAMUQAMQN-SECBINFHSA-N 0 0 287.406 2.981 20 10 CFCDRN CCCCOCCSc1ncc(C(=O)OC)s1 ZINC000829683709 624506368 /nfs/dbraw/zinc/50/63/68/624506368.db2.gz APWVPQAGOFDECC-UHFFFAOYSA-N 0 0 275.395 2.839 20 10 CFCDRN COc1ccc2c(c1)N(Cc1ccccc1O)CCO2 ZINC000154873920 624516164 /nfs/dbraw/zinc/51/61/64/624516164.db2.gz WXJUBZACNUWIRD-UHFFFAOYSA-N 0 0 271.316 2.800 20 10 CFCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000829910256 624581375 /nfs/dbraw/zinc/58/13/75/624581375.db2.gz DLGVPKDDFMQHPD-UHFFFAOYSA-N 0 0 295.360 2.794 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000919816034 624620893 /nfs/dbraw/zinc/62/08/93/624620893.db2.gz YKWQWYIBKKBERM-UHFFFAOYSA-N 0 0 298.298 2.511 20 10 CFCDRN Cc1cc(NCc2ccccc2O)ncc1[N+](=O)[O-] ZINC000074745160 624694013 /nfs/dbraw/zinc/69/40/13/624694013.db2.gz HCWQRBSMGFIYSF-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000920527025 624739463 /nfs/dbraw/zinc/73/94/63/624739463.db2.gz KMKGSOKPSPAXGW-JTQLQIEISA-N 0 0 298.358 2.534 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)OC1CCC1 ZINC000830534490 624775063 /nfs/dbraw/zinc/77/50/63/624775063.db2.gz BUDPZJBRUNEURW-UHFFFAOYSA-N 0 0 262.353 2.840 20 10 CFCDRN O=S(=O)(CCC1CCCCC1)NCc1ccccc1O ZINC000830605202 624786752 /nfs/dbraw/zinc/78/67/52/624786752.db2.gz MHHRPIHIGJPSRH-UHFFFAOYSA-N 0 0 297.420 2.782 20 10 CFCDRN CCC[C@@H]1C[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000921033620 624799183 /nfs/dbraw/zinc/79/91/83/624799183.db2.gz VFMWXHMIVRXYLZ-SKDRFNHKSA-N 0 0 266.316 2.519 20 10 CFCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N(C)C)cc2)O1 ZINC000175012627 624924142 /nfs/dbraw/zinc/92/41/42/624924142.db2.gz YLBMASYXXNLDRX-CZUORRHYSA-N 0 0 290.407 2.717 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NCC2(C(C)C)CC2)c1 ZINC000175618303 624958959 /nfs/dbraw/zinc/95/89/59/624958959.db2.gz JAXDQQVFISQDED-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN C[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000237564679 624963276 /nfs/dbraw/zinc/96/32/76/624963276.db2.gz GFRZLLBYKGCAAG-ONGXEEELSA-N 0 0 250.298 2.579 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC2CCC(F)CC2)cc1 ZINC000831178168 624968999 /nfs/dbraw/zinc/96/89/99/624968999.db2.gz LIFGLWKWOSBZJL-UHFFFAOYSA-N 0 0 293.386 2.639 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C/c1cnn(C)c1 ZINC000068144550 624976708 /nfs/dbraw/zinc/97/67/08/624976708.db2.gz DRRVBCPNWLTWEK-SOFGYWHQSA-N 0 0 299.349 2.860 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(CNC(N)=O)cc2)cc1 ZINC000180047694 624991481 /nfs/dbraw/zinc/99/14/81/624991481.db2.gz TWHZUYQCZZDQQB-UHFFFAOYSA-N 0 0 298.390 2.533 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(C)cc2)c1O ZINC000068488729 625002765 /nfs/dbraw/zinc/00/27/65/625002765.db2.gz YLYMWXMEOWAHCG-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C1CC(C)(O)C1 ZINC000831412868 625014172 /nfs/dbraw/zinc/01/41/72/625014172.db2.gz QJJDRAYDNMFUDP-UHFFFAOYSA-N 0 0 291.391 2.682 20 10 CFCDRN CC(Cl)(Cl)C(=O)NCCCSc1nccs1 ZINC000180388816 625019316 /nfs/dbraw/zinc/01/93/16/625019316.db2.gz FQBIQTUOAKKIGH-UHFFFAOYSA-N 0 0 299.248 2.935 20 10 CFCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180581015 625029276 /nfs/dbraw/zinc/02/92/76/625029276.db2.gz UTDPRPAOVVYHLI-ZJNQMXKESA-N 0 0 283.327 2.988 20 10 CFCDRN Cc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000180669204 625034465 /nfs/dbraw/zinc/03/44/65/625034465.db2.gz NYMVRJWIICCCCX-GQCTYLIASA-N 0 0 290.344 2.823 20 10 CFCDRN CSCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000068890383 625035850 /nfs/dbraw/zinc/03/58/50/625035850.db2.gz TWBOHVJJNNPSJK-UHFFFAOYSA-N 0 0 276.199 2.607 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(Cl)Cl)c1 ZINC000180736229 625037141 /nfs/dbraw/zinc/03/71/41/625037141.db2.gz ZASQXRQEPBPPTD-SSDOTTSWSA-N 0 0 292.162 2.772 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000180954364 625052008 /nfs/dbraw/zinc/05/20/08/625052008.db2.gz NHHCHPAGGXGZMR-YCRREMRBSA-N 0 0 287.290 2.913 20 10 CFCDRN COc1ccc(CNC(=O)[C@]2(C)CCC[C@@H]2C)c(O)c1 ZINC000831618232 625073755 /nfs/dbraw/zinc/07/37/55/625073755.db2.gz VBAIGIJJUMKAFV-MEDUHNTESA-N 0 0 277.364 2.843 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCC1 ZINC000831909067 625174629 /nfs/dbraw/zinc/17/46/29/625174629.db2.gz IJVXTOOGFXDEBI-MRXNPFEDSA-N 0 0 291.391 2.682 20 10 CFCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H]2CCCC[C@H]21 ZINC000831939466 625188508 /nfs/dbraw/zinc/18/85/08/625188508.db2.gz WJRLTPSZPXWCGS-UHOFOFEASA-N 0 0 272.392 2.848 20 10 CFCDRN Cc1ccc(C(=O)N(Cc2cccnc2)C2CC2)c(O)c1O ZINC000181842741 625221900 /nfs/dbraw/zinc/22/19/00/625221900.db2.gz YWGFLPMNFRAMGB-UHFFFAOYSA-N 0 0 298.342 2.606 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(F)(C3CC3)CC2)c(O)c1O ZINC000834573468 625719971 /nfs/dbraw/zinc/71/99/71/625719971.db2.gz NTXHSKSUTQTNCW-UHFFFAOYSA-N 0 0 293.338 2.761 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000185538433 625738828 /nfs/dbraw/zinc/73/88/28/625738828.db2.gz VHESZWHUAAIDGV-GVXVVHGQSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(F)cc1[O-] ZINC000834860211 625904852 /nfs/dbraw/zinc/90/48/52/625904852.db2.gz PTMMLXVSIGIHTK-CQSZACIVSA-N 0 0 265.328 2.919 20 10 CFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834879030 625907661 /nfs/dbraw/zinc/90/76/61/625907661.db2.gz VVELQLWGLTXYPQ-UWVGGRQHSA-N 0 0 273.323 2.872 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cccc(Cl)c1[O-] ZINC000834892245 625911241 /nfs/dbraw/zinc/91/12/41/625911241.db2.gz USDGZWXJPYMCCR-GXFFZTMASA-N 0 0 296.798 2.707 20 10 CFCDRN Cc1cnc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834908319 625919845 /nfs/dbraw/zinc/91/98/45/625919845.db2.gz ILQNLYKSWUPQPC-JTQLQIEISA-N 0 0 293.317 2.662 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834915634 625921395 /nfs/dbraw/zinc/92/13/95/625921395.db2.gz RJNOHDHPFVXDOU-FOGDFJRCSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@H]1Cc2cc(C(=O)NCCc3ccc(N)cc3)ccc2O1 ZINC000851632250 634464669 /nfs/dbraw/zinc/46/46/69/634464669.db2.gz OIFJQRANDYVPFF-LBPRGKRZSA-N 0 0 296.370 2.565 20 10 CFCDRN Nc1ccc(CC(=O)N(CCC2CC2)CC2CC2)cc1 ZINC000851647749 634471157 /nfs/dbraw/zinc/47/11/57/634471157.db2.gz QMCXNIXDSAJEAA-UHFFFAOYSA-N 0 0 272.392 2.850 20 10 CFCDRN CO[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000851647972 634472457 /nfs/dbraw/zinc/47/24/57/634472457.db2.gz VNKWTZPINQLVCN-INIZCTEOSA-N 0 0 290.407 2.523 20 10 CFCDRN CC[C@H](C)N(CC)C(=O)NCCc1ccc(N)cc1 ZINC000851663187 634474545 /nfs/dbraw/zinc/47/45/45/634474545.db2.gz VLROIQXSFJPAFZ-LBPRGKRZSA-N 0 0 263.385 2.641 20 10 CFCDRN CCN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000851706150 634479556 /nfs/dbraw/zinc/47/95/56/634479556.db2.gz FSGSFLUDAIFBIT-UHFFFAOYSA-N 0 0 290.407 2.972 20 10 CFCDRN CC(C)c1noc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000888401193 626155945 /nfs/dbraw/zinc/15/59/45/626155945.db2.gz ZQRKKOLVVDXENT-UHFFFAOYSA-N 0 0 290.323 2.563 20 10 CFCDRN OCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000922009198 626195789 /nfs/dbraw/zinc/19/57/89/626195789.db2.gz PWUOKTYFQKWMAB-OAHLLOKOSA-N 0 0 287.359 2.818 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000922111999 626210208 /nfs/dbraw/zinc/21/02/08/626210208.db2.gz BTHRYKCNKGGYMX-ZJUUUORDSA-N 0 0 266.316 2.519 20 10 CFCDRN CCn1ccc(CNCc2ccc3c(c2)CCCO3)n1 ZINC000922182338 626233956 /nfs/dbraw/zinc/23/39/56/626233956.db2.gz AUYOHRZSNOTQLT-UHFFFAOYSA-N 0 0 271.364 2.518 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCCO2)c1csnn1 ZINC000922185671 626235699 /nfs/dbraw/zinc/23/56/99/626235699.db2.gz OLFMPVGNTJJDTN-SNVBAGLBSA-N 0 0 275.377 2.714 20 10 CFCDRN O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=CC(=O)CS1 ZINC000922436345 626288663 /nfs/dbraw/zinc/28/86/63/626288663.db2.gz DSFDORYLSJHGQX-ZFRGLUTLSA-N 0 0 274.288 2.902 20 10 CFCDRN CC(C)(C)c1nc(COC(=O)c2cccc(O)c2O)co1 ZINC000922619433 626326745 /nfs/dbraw/zinc/32/67/45/626326745.db2.gz FNEJSNQNSVVRNG-UHFFFAOYSA-N 0 0 291.303 2.740 20 10 CFCDRN CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1O ZINC000186878384 626401769 /nfs/dbraw/zinc/40/17/69/626401769.db2.gz ASYUBQYFLMLGSB-UHFFFAOYSA-N 0 0 293.269 2.648 20 10 CFCDRN C[C@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000228736224 626402865 /nfs/dbraw/zinc/40/28/65/626402865.db2.gz XBGVYASTMOOMCS-WDEREUQCSA-N 0 0 263.337 2.654 20 10 CFCDRN CC(C)(CNC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000186903866 626403440 /nfs/dbraw/zinc/40/34/40/626403440.db2.gz ZMKCBUDYZDYIJN-UHFFFAOYSA-N 0 0 285.343 2.805 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000086695881 626408879 /nfs/dbraw/zinc/40/88/79/626408879.db2.gz LMHPVODINKDQQI-ZWNOBZJWSA-N 0 0 255.333 2.853 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000838034782 626483806 /nfs/dbraw/zinc/48/38/06/626483806.db2.gz ZNVWGDXFZGNUNO-HUUCEWRRSA-N 0 0 288.343 2.662 20 10 CFCDRN Cc1ccc(C(=O)N[C@@]2(C)CC=CCC2)c(O)c1O ZINC000838317050 626493175 /nfs/dbraw/zinc/49/31/75/626493175.db2.gz RGOKHFFAUIIXEX-HNNXBMFYSA-N 0 0 261.321 2.635 20 10 CFCDRN C[C@H](F)CCNC(=O)NCCCSc1nccs1 ZINC000838513551 626499996 /nfs/dbraw/zinc/49/99/96/626499996.db2.gz ARTZJWHAYOBHDZ-VIFPVBQESA-N 0 0 291.417 2.673 20 10 CFCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000838514085 626500002 /nfs/dbraw/zinc/50/00/02/626500002.db2.gz FHYRQJLAUYEXGC-NXEZZACHSA-N 0 0 285.438 2.675 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC1(F)F ZINC000838672674 626503206 /nfs/dbraw/zinc/50/32/06/626503206.db2.gz IVTJGWBTFSOECG-LBPRGKRZSA-N 0 0 298.333 2.969 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC1(F)F ZINC000838672672 626503239 /nfs/dbraw/zinc/50/32/39/626503239.db2.gz IVTJGWBTFSOECG-GFCCVEGCSA-N 0 0 298.333 2.969 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2C[C@@]2(C)C(C)C)c(O)c1 ZINC000838766699 626504988 /nfs/dbraw/zinc/50/49/88/626504988.db2.gz UYOPPVKWHFPQKP-HOCLYGCPSA-N 0 0 292.379 2.635 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CC(OCC(F)F)C1 ZINC000839138597 626528381 /nfs/dbraw/zinc/52/83/81/626528381.db2.gz RWOIFDXPFKPEBQ-UHFFFAOYSA-N 0 0 277.698 2.512 20 10 CFCDRN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000839191864 626530785 /nfs/dbraw/zinc/53/07/85/626530785.db2.gz LBWGJLMBPLXFJS-YPMHNXCESA-N 0 0 273.735 2.842 20 10 CFCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cccnc1C ZINC000839348480 626534309 /nfs/dbraw/zinc/53/43/09/626534309.db2.gz ISDBKJIRIVVVCW-ZRDIBKRKSA-N 0 0 282.347 2.636 20 10 CFCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1ncccc1C ZINC000839349885 626534442 /nfs/dbraw/zinc/53/44/42/626534442.db2.gz QDBLJHPOIWUUEN-RAXLEYEMSA-N 0 0 282.347 2.636 20 10 CFCDRN Cc1ccc2c(c1F)N(C(=O)/C=C\c1cnn(C)c1)CCC2 ZINC000839441135 626536720 /nfs/dbraw/zinc/53/67/20/626536720.db2.gz JDKGUCOWDCFNCS-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN COCC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839468038 626537586 /nfs/dbraw/zinc/53/75/86/626537586.db2.gz MMSKUXNUYBWFRH-UHFFFAOYSA-N 0 0 292.423 2.774 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000806140808 626541918 /nfs/dbraw/zinc/54/19/18/626541918.db2.gz BXBFSPUCOATLTA-CHWSQXEVSA-N 0 0 296.798 2.707 20 10 CFCDRN C[C@H]([NH3+])[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000843045938 626547020 /nfs/dbraw/zinc/54/70/20/626547020.db2.gz MDEZKEJYIMVHRH-JOYOIKCWSA-N 0 0 286.778 2.886 20 10 CFCDRN CO[C@](C)([C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000839637512 626550657 /nfs/dbraw/zinc/55/06/57/626550657.db2.gz DZBBSCWPRZWJCF-MEBBXXQBSA-N 0 0 294.351 2.594 20 10 CFCDRN Cc1ccc(C(=O)O[C@H](C)c2ccncc2)c(O)c1O ZINC000757697443 626559091 /nfs/dbraw/zinc/55/90/91/626559091.db2.gz NRAVXUVXWMWSIH-SNVBAGLBSA-N 0 0 273.288 2.719 20 10 CFCDRN CN(C)c1ccc(OCCOCC(F)(F)F)cc1 ZINC000757705869 626559819 /nfs/dbraw/zinc/55/98/19/626559819.db2.gz ZNQRBNKXSKAQMS-UHFFFAOYSA-N 0 0 263.259 2.710 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757743756 626561702 /nfs/dbraw/zinc/56/17/02/626561702.db2.gz GSKSRIUWPNIHQF-ZDUSSCGKSA-N 0 0 298.452 2.703 20 10 CFCDRN O=C(OCc1ncc(Cl)s1)c1cccc(O)c1O ZINC000758546533 626597906 /nfs/dbraw/zinc/59/79/06/626597906.db2.gz GTOJJUBCJKDOFN-UHFFFAOYSA-N 0 0 285.708 2.565 20 10 CFCDRN O=C(OCc1cccc(Cl)n1)c1cccc(O)c1O ZINC000758548735 626597974 /nfs/dbraw/zinc/59/79/74/626597974.db2.gz SYUZLHYQSDNAPL-UHFFFAOYSA-N 0 0 279.679 2.503 20 10 CFCDRN Cc1ccc(OCCOC(=O)c2cccc(O)c2O)cc1 ZINC000758562444 626598556 /nfs/dbraw/zinc/59/85/56/626598556.db2.gz RJMXTACTSKRMHY-UHFFFAOYSA-N 0 0 288.299 2.642 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc(F)c2cccnc12 ZINC000759116123 626628907 /nfs/dbraw/zinc/62/89/07/626628907.db2.gz MBMQABQTUPKVJV-POHAHGRESA-N 0 0 290.344 2.863 20 10 CFCDRN Cc1ccncc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759578797 626673191 /nfs/dbraw/zinc/67/31/91/626673191.db2.gz JYSMSXKYAQKOIV-HYXAFXHYSA-N 0 0 285.299 2.558 20 10 CFCDRN Cc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)nc1 ZINC000759588107 626673827 /nfs/dbraw/zinc/67/38/27/626673827.db2.gz IGMGYNLYCMQRKC-DAXSKMNVSA-N 0 0 285.299 2.558 20 10 CFCDRN Cc1cnc([C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000759592294 626674368 /nfs/dbraw/zinc/67/43/68/626674368.db2.gz FFCXGDNIBUWQAQ-RWCYGVJQSA-N 0 0 289.287 2.712 20 10 CFCDRN Cc1cccnc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759593051 626674389 /nfs/dbraw/zinc/67/43/89/626674389.db2.gz IOCDZDLVWVHKKG-ALCCZGGFSA-N 0 0 285.299 2.558 20 10 CFCDRN Oc1ccccc1CNc1nnc(-c2ccccn2)s1 ZINC000760510179 626751827 /nfs/dbraw/zinc/75/18/27/626751827.db2.gz MUTMCBRKEQXADK-UHFFFAOYSA-N 0 0 284.344 2.918 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2COC(C)(C)O2)cc1 ZINC000851779551 634524326 /nfs/dbraw/zinc/52/43/26/634524326.db2.gz AOYKMHRQDRUYAS-CQSZACIVSA-N 0 0 265.353 2.673 20 10 CFCDRN CCc1nn(C)cc1CN(C)c1ccc(OC)c(OC)c1 ZINC000761222257 626817157 /nfs/dbraw/zinc/81/71/57/626817157.db2.gz OHGASKYICMNHQB-UHFFFAOYSA-N 0 0 289.379 2.636 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H](c2cccs2)C1 ZINC000761601922 626849124 /nfs/dbraw/zinc/84/91/24/626849124.db2.gz HNVIPLQJXQXQQJ-JTQLQIEISA-N 0 0 295.385 2.729 20 10 CFCDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2noc(C)n2)c1 ZINC000809769641 626852715 /nfs/dbraw/zinc/85/27/15/626852715.db2.gz IWOWDVWWDFOEEJ-RKDXNWHRSA-N 0 0 277.324 2.504 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C(F)=C1CCCC1 ZINC000762262240 626908306 /nfs/dbraw/zinc/90/83/06/626908306.db2.gz WRLSQCOPXLWYOD-UHFFFAOYSA-N 0 0 279.311 2.554 20 10 CFCDRN CCC/C(C)=C/C(=O)NCCc1ccc(O)c(O)c1 ZINC000762261371 626908359 /nfs/dbraw/zinc/90/83/59/626908359.db2.gz KHYLVGDQPAYCHQ-PKNBQFBNSA-N 0 0 263.337 2.503 20 10 CFCDRN Cc1nc(C)c(C)c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000762799871 626938374 /nfs/dbraw/zinc/93/83/74/626938374.db2.gz DDXZYJFGWUGZCB-SECBINFHSA-N 0 0 287.363 2.856 20 10 CFCDRN C/C=C\C[C@H](NCc1cc(F)ccc1O)C(=O)OCC ZINC000763361499 626982272 /nfs/dbraw/zinc/98/22/72/626982272.db2.gz LLIRBEDWNGIHCK-DXTPNHAXSA-N 0 0 281.327 2.519 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCOC(C)(C)[C@@H]2C)c1O ZINC000763418322 626987449 /nfs/dbraw/zinc/98/74/49/626987449.db2.gz DYMZDEKOHACYGM-NSHDSACASA-N 0 0 295.354 2.733 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763687820 627005346 /nfs/dbraw/zinc/00/53/46/627005346.db2.gz QBGPHADAGBUEAF-AWEZNQCLSA-N 0 0 275.348 2.617 20 10 CFCDRN COc1ccc(N(C)C[C@H]2COC(C)(C)O2)cc1Cl ZINC000851808746 634542901 /nfs/dbraw/zinc/54/29/01/634542901.db2.gz OVJVYTIUACJBEG-NSHDSACASA-N 0 0 285.771 2.936 20 10 CFCDRN CN(C)c1ccc(C=Cc2nccc(=O)[nH]2)cc1F ZINC000764440932 627060524 /nfs/dbraw/zinc/06/05/24/627060524.db2.gz DCHPMOSFNRYDOK-XQRVVYSFSA-N 0 0 259.284 2.558 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cncnc1 ZINC000764608007 627075615 /nfs/dbraw/zinc/07/56/15/627075615.db2.gz DHLFOHWBSGDKLU-CYBMUJFWSA-N 0 0 299.374 2.725 20 10 CFCDRN Cc1cncc(NCc2cccc(Br)c2O)n1 ZINC000764933553 627107778 /nfs/dbraw/zinc/10/77/78/627107778.db2.gz FIVIMNVQOSBALN-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN COC(=O)C[C@@H](C)Sc1ncc(Cl)s1 ZINC000765033293 627114474 /nfs/dbraw/zinc/11/44/74/627114474.db2.gz CWKHBPLKTRIBGU-RXMQYKEDSA-N 0 0 251.760 2.840 20 10 CFCDRN CCCN(CCC)c1ccc(CN2CC(=O)N(C)C2)cc1 ZINC000765641460 627152735 /nfs/dbraw/zinc/15/27/35/627152735.db2.gz LEEDVGKPASPWGC-UHFFFAOYSA-N 0 0 289.423 2.545 20 10 CFCDRN CCc1noc(CN2CCCCc3cc(OC)ccc32)n1 ZINC000766270172 627189340 /nfs/dbraw/zinc/18/93/40/627189340.db2.gz RCNVGTBUFKFPFW-UHFFFAOYSA-N 0 0 287.363 2.984 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cc(C)n(C)n1 ZINC000767887611 627290936 /nfs/dbraw/zinc/29/09/36/627290936.db2.gz JYONYVIMUPCNJU-UHFFFAOYSA-N 0 0 271.364 2.690 20 10 CFCDRN CC(C)Oc1cncc(C(=O)NCc2ccccc2O)c1 ZINC000767928041 627295462 /nfs/dbraw/zinc/29/54/62/627295462.db2.gz UNJSKOPPZQLLGB-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cccc(C(C)=O)c2)c1 ZINC000768054962 627308961 /nfs/dbraw/zinc/30/89/61/627308961.db2.gz KIGQREGFNFRCHR-UHFFFAOYSA-N 0 0 299.326 2.533 20 10 CFCDRN CC(C)Oc1ccc(C(=O)NCc2ccccc2O)nc1 ZINC000768070156 627311583 /nfs/dbraw/zinc/31/15/83/627311583.db2.gz FPBWWWZNXQBEQV-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN CCCN(CC(=O)OC)Cc1cc2c(cc1O)CCCC2 ZINC000768439073 627342947 /nfs/dbraw/zinc/34/29/47/627342947.db2.gz GMGDRWHIQRXIMQ-UHFFFAOYSA-N 0 0 291.391 2.656 20 10 CFCDRN CCN(C[C@@H]1CCCOC1)c1ccc(OC)c(OC)c1 ZINC000768541572 627352622 /nfs/dbraw/zinc/35/26/22/627352622.db2.gz IKYKJFUVHXVCMH-ZDUSSCGKSA-N 0 0 279.380 2.957 20 10 CFCDRN CC(=O)c1ccccc1C(=O)NCc1ccccc1O ZINC000769362009 627428740 /nfs/dbraw/zinc/42/87/40/627428740.db2.gz DAIUFQNSMOFRRS-UHFFFAOYSA-N 0 0 269.300 2.525 20 10 CFCDRN CC[C@@H](C(=O)NCc1ccccc1O)c1c(C)noc1C ZINC000769364025 627428786 /nfs/dbraw/zinc/42/87/86/627428786.db2.gz XWXFAZOJWPUHRK-CYBMUJFWSA-N 0 0 288.347 2.807 20 10 CFCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769514311 627449759 /nfs/dbraw/zinc/44/97/59/627449759.db2.gz IYGZDMJXFKVSBT-VXGBXAGGSA-N 0 0 281.783 2.904 20 10 CFCDRN Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000770491597 627525329 /nfs/dbraw/zinc/52/53/29/627525329.db2.gz ZQMLNDWVTRMZID-MRVPVSSYSA-N 0 0 290.319 2.502 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2nsnc2c1 ZINC000770553246 627529643 /nfs/dbraw/zinc/52/96/43/627529643.db2.gz UKUDTPHTXUTSSL-UHFFFAOYSA-N 0 0 299.355 2.669 20 10 CFCDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)C1=CC(=O)CS1 ZINC000771051925 627573665 /nfs/dbraw/zinc/57/36/65/627573665.db2.gz ZTDPBNQSSVSHRJ-VIFPVBQESA-N 0 0 277.345 2.520 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)CO ZINC000771266774 627589561 /nfs/dbraw/zinc/58/95/61/627589561.db2.gz MVKZATFELZXEQI-GFCCVEGCSA-N 0 0 286.375 2.513 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)(O)C(C)C ZINC000771288623 627590722 /nfs/dbraw/zinc/59/07/22/627590722.db2.gz USHMNLCDBJLCJG-QGZVFWFLSA-N 0 0 292.423 2.508 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccccc1F ZINC000772777642 627743459 /nfs/dbraw/zinc/74/34/59/627743459.db2.gz WTPMKTSRMKKWNW-VURMDHGXSA-N 0 0 288.274 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CFCDRN CC(C)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779528684 628386480 /nfs/dbraw/zinc/38/64/80/628386480.db2.gz PNIFUTYQRNXXPP-RYWCDNDXSA-N 0 0 275.348 2.616 20 10 CFCDRN CS[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779523724 628386626 /nfs/dbraw/zinc/38/66/26/628386626.db2.gz FCDWXYQTRCQYJF-MOKYYMMQSA-N 0 0 293.388 2.511 20 10 CFCDRN Cc1cc(O)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779536624 628386923 /nfs/dbraw/zinc/38/69/23/628386923.db2.gz LTIFEFNLJVPITE-CLTKARDFSA-N 0 0 285.299 2.764 20 10 CFCDRN Cc1cccc(O)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779547455 628387493 /nfs/dbraw/zinc/38/74/93/628387493.db2.gz LPPBQRBFGLRSRD-SOFGYWHQSA-N 0 0 285.299 2.764 20 10 CFCDRN COc1ccc(N(C)Cc2cn[nH]c2)cc1Cl ZINC000780778139 628496639 /nfs/dbraw/zinc/49/66/39/628496639.db2.gz CVEMHMCEOGJHSG-UHFFFAOYSA-N 0 0 251.717 2.708 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000780790095 628497864 /nfs/dbraw/zinc/49/78/64/628497864.db2.gz TYNMKFRWLAHXDE-AAEUAGOBSA-N 0 0 262.353 2.722 20 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CFCDRN CN(C)C1(C[N@H+](C)Cc2c(O)ccc3ccncc32)CCC1 ZINC000783548230 628719580 /nfs/dbraw/zinc/71/95/80/628719580.db2.gz FXBSRXMPSZQHSR-UHFFFAOYSA-N 0 0 299.418 2.857 20 10 CFCDRN Cc1ccc(O)c(CNc2ncn(C(C)(C)C)n2)c1 ZINC000783635411 628729161 /nfs/dbraw/zinc/72/91/61/628729161.db2.gz RMWWGGIFHOMCBQ-UHFFFAOYSA-N 0 0 260.341 2.659 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1coc(C)n1)CCC2 ZINC000852173705 634679644 /nfs/dbraw/zinc/67/96/44/634679644.db2.gz XVDCQSMZAWMPMO-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN CC=C(C=CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC ZINC000784215493 628791558 /nfs/dbraw/zinc/79/15/58/628791558.db2.gz ZVCCNUBTMSFEHZ-MJYGYMJXSA-N 0 0 290.315 2.736 20 10 CFCDRN CCC(CC)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784428385 628815983 /nfs/dbraw/zinc/81/59/83/628815983.db2.gz PLEXUEJCRXHHPI-JTQLQIEISA-N 0 0 294.347 2.896 20 10 CFCDRN CC(C)[C@@H](F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000784440775 628817366 /nfs/dbraw/zinc/81/73/66/628817366.db2.gz BTVQGADTTYUSKL-OAHLLOKOSA-N 0 0 279.355 2.881 20 10 CFCDRN CC[C@H](C)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616038 628831399 /nfs/dbraw/zinc/83/13/99/628831399.db2.gz YHNRPAQMRJUFRB-UWVGGRQHSA-N 0 0 280.320 2.506 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787284715 629003944 /nfs/dbraw/zinc/00/39/44/629003944.db2.gz WBBSGOMMKVAFID-JGPRNRPPSA-N 0 0 297.449 2.723 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H]1C ZINC000805866276 629064677 /nfs/dbraw/zinc/06/46/77/629064677.db2.gz JIDXDBQFPOAQJW-ABAIWWIYSA-N 0 0 275.396 2.659 20 10 CFCDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ncnn2C)cc1 ZINC000788984795 629113823 /nfs/dbraw/zinc/11/38/23/629113823.db2.gz UBDKAWMOLNPMCI-STQMWFEESA-N 0 0 287.411 2.683 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2c[nH]cn2)c1O ZINC000852287556 634711139 /nfs/dbraw/zinc/71/11/39/634711139.db2.gz ZSPLGPRQJLRBDV-UHFFFAOYSA-N 0 0 293.754 2.603 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCC[C@@H](C)O ZINC000789363474 629150852 /nfs/dbraw/zinc/15/08/52/629150852.db2.gz RYCHNQPIEVISAF-CYBMUJFWSA-N 0 0 263.381 2.999 20 10 CFCDRN COc1nn(C)cc1NCc1cc(Cl)cc(C)c1O ZINC000789585821 629169020 /nfs/dbraw/zinc/16/90/20/629169020.db2.gz HFUOJOHVRFLQEU-UHFFFAOYSA-N 0 0 281.743 2.708 20 10 CFCDRN O=C(NCc1cccc(Cl)c1)c1c(F)ccc(O)c1O ZINC000789940460 629198617 /nfs/dbraw/zinc/19/86/17/629198617.db2.gz AJVTUAIETNHXNW-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN C[C@@H](Cc1cccs1)NC(=O)c1c(F)ccc(O)c1O ZINC000789971105 629201086 /nfs/dbraw/zinc/20/10/86/629201086.db2.gz NOTWAIFDZSOFBP-QMMMGPOBSA-N 0 0 295.335 2.659 20 10 CFCDRN COCC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000790652687 629255223 /nfs/dbraw/zinc/25/52/23/629255223.db2.gz OGPWFVADJDFSGZ-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN O=C(OCCCC1CCOCC1)C1=CC(=O)CS1 ZINC000790651676 629255579 /nfs/dbraw/zinc/25/55/79/629255579.db2.gz OMIJCSGEJHGMGI-UHFFFAOYSA-N 0 0 270.350 2.817 20 10 CFCDRN CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2O)c1C ZINC000790793558 629263035 /nfs/dbraw/zinc/26/30/35/629263035.db2.gz HBXPOXIMTMBJCJ-LLVKDONJSA-N 0 0 287.363 2.798 20 10 CFCDRN O=C(c1cccc(O)c1O)N(CCc1ccccc1)C1CC1 ZINC000790895401 629270451 /nfs/dbraw/zinc/27/04/51/629270451.db2.gz SHXLYNJFDNGQSP-UHFFFAOYSA-N 0 0 297.354 2.945 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCC[C@H]1O ZINC000790961801 629272690 /nfs/dbraw/zinc/27/26/90/629272690.db2.gz NBWRMYRIECDSKI-CMPLNLGQSA-N 0 0 273.735 2.578 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000790948607 629273581 /nfs/dbraw/zinc/27/35/81/629273581.db2.gz BYMYAUJLDFIJGH-NSHDSACASA-N 0 0 285.702 2.601 20 10 CFCDRN CC(C)CCc1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000790961610 629273995 /nfs/dbraw/zinc/27/39/95/629273995.db2.gz PDFJHHIOVJQTJI-UHFFFAOYSA-N 0 0 289.335 2.662 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000790986236 629277304 /nfs/dbraw/zinc/27/73/04/629277304.db2.gz KJVCKGBWFNBNNJ-SECBINFHSA-N 0 0 273.735 2.701 20 10 CFCDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)C1=CC(=O)CS1 ZINC000791029954 629283142 /nfs/dbraw/zinc/28/31/42/629283142.db2.gz OHVVSCNVAAHMNW-NWDGAFQWSA-N 0 0 277.320 2.879 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1CCO ZINC000792180804 629406792 /nfs/dbraw/zinc/40/67/92/629406792.db2.gz UTVNUYUNIIVPBQ-VIFPVBQESA-N 0 0 273.735 2.532 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnn1-c1ccccc1 ZINC000792239996 629413644 /nfs/dbraw/zinc/41/36/44/629413644.db2.gz PHXNWQCVWKMCGX-UHFFFAOYSA-N 0 0 293.326 2.508 20 10 CFCDRN Cc1ccc2c(c1)CCN(C(=O)C1=CC(=O)CS1)C2 ZINC000792489739 629427958 /nfs/dbraw/zinc/42/79/58/629427958.db2.gz ZKDKDHXTZUXLBN-UHFFFAOYSA-N 0 0 273.357 2.961 20 10 CFCDRN COc1ccc(CNC(=O)NCC2CCCCC2)c(O)c1 ZINC000792763005 629449837 /nfs/dbraw/zinc/44/98/37/629449837.db2.gz VDHCFTPOVDCBRE-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN CCC/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000792969263 629471742 /nfs/dbraw/zinc/47/17/42/629471742.db2.gz LSBUVRZTMCIDTC-AATRIKPKSA-N 0 0 288.391 2.700 20 10 CFCDRN COc1cc(N(C)CC2(F)CC2)cc(OC)c1OC ZINC000793063701 629482290 /nfs/dbraw/zinc/48/22/90/629482290.db2.gz VYHMCTNCGFVIFL-UHFFFAOYSA-N 0 0 269.316 2.651 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)c2c1c(F)ccc2O ZINC000793567602 629572756 /nfs/dbraw/zinc/57/27/56/629572756.db2.gz ZMEYXQFUSPKYFT-PWSUYJOCSA-N 0 0 279.355 2.974 20 10 CFCDRN Oc1ccc2oc3c(c2c1CN1CCO[C@H]2C[C@H]21)CCCC3 ZINC000793624515 629580864 /nfs/dbraw/zinc/58/08/64/629580864.db2.gz XSGRMZDVPMLFTQ-DYVFJYSZSA-N 0 0 299.370 2.990 20 10 CFCDRN CC[C@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccccc1O ZINC000793658300 629583454 /nfs/dbraw/zinc/58/34/54/629583454.db2.gz RLOQRYHMHWCGKO-DZGCQCFKSA-N 0 0 293.407 2.928 20 10 CFCDRN C[C@@H](NC(=O)C[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000793855436 629601251 /nfs/dbraw/zinc/60/12/51/629601251.db2.gz IVBQBUDJYXJKQS-KGLIPLIRSA-N 0 0 290.407 2.747 20 10 CFCDRN COc1cc(NC(=O)c2cccc(O)c2O)c(C)cc1C ZINC000794364161 629640663 /nfs/dbraw/zinc/64/06/63/629640663.db2.gz CSKNVHXOHAJUDG-UHFFFAOYSA-N 0 0 287.315 2.976 20 10 CFCDRN COc1ccc(CNC(=O)CCc2ccc(C)cc2)c(O)c1 ZINC000794371178 629641305 /nfs/dbraw/zinc/64/13/05/629641305.db2.gz XXTHBUUXHWYQPC-UHFFFAOYSA-N 0 0 299.370 2.958 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000794378629 629641998 /nfs/dbraw/zinc/64/19/98/629641998.db2.gz ZXIWHEUBVYEDCU-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(O)c1 ZINC000794379730 629642040 /nfs/dbraw/zinc/64/20/40/629642040.db2.gz VPRADALRDLPSLB-UHFFFAOYSA-N 0 0 296.326 2.812 20 10 CFCDRN COc1ccc(CNC(=O)C(C)=C2CCCC2)c(O)c1 ZINC000794380396 629642142 /nfs/dbraw/zinc/64/21/42/629642142.db2.gz BLIKHSFREVUSAP-UHFFFAOYSA-N 0 0 275.348 2.908 20 10 CFCDRN CCC(C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC000794389548 629642829 /nfs/dbraw/zinc/64/28/29/629642829.db2.gz QFSQKCIYFZFWLE-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC000794386877 629642909 /nfs/dbraw/zinc/64/29/09/629642909.db2.gz DJNAUVFITDMGCB-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@H]([NH2+]Cc1cccnc1F)c1ccc(F)cc1[O-] ZINC000794836257 629692273 /nfs/dbraw/zinc/69/22/73/629692273.db2.gz OTLDQJPWXZXLFS-VIFPVBQESA-N 0 0 264.275 2.916 20 10 CFCDRN COc1ccc(CNc2cc(Cl)nc(C)n2)c(O)c1 ZINC000795283516 629756883 /nfs/dbraw/zinc/75/68/83/629756883.db2.gz AEJDIWOSDKQEAP-UHFFFAOYSA-N 0 0 279.727 2.765 20 10 CFCDRN COc1ccc(CNc2nc(C(C)C)ns2)c(O)c1 ZINC000795284998 629757012 /nfs/dbraw/zinc/75/70/12/629757012.db2.gz POKNIYNOIYTLIU-UHFFFAOYSA-N 0 0 279.365 2.988 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2C=CCC2)cc1 ZINC000852513907 634769291 /nfs/dbraw/zinc/76/92/91/634769291.db2.gz WMYBBBFDCXEYHT-CQSZACIVSA-N 0 0 273.380 2.613 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(F)cc1[O-] ZINC000796726469 629956045 /nfs/dbraw/zinc/95/60/45/629956045.db2.gz QZIARDCWDBVHGY-NHYWBVRUSA-N 0 0 289.354 2.993 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1[O-] ZINC000796749521 629959487 /nfs/dbraw/zinc/95/94/87/629959487.db2.gz YNQUNYDVLALNMW-WFASDCNBSA-N 0 0 278.371 2.809 20 10 CFCDRN CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1[O-] ZINC000796813954 629971555 /nfs/dbraw/zinc/97/15/55/629971555.db2.gz JTNUGWXZMVMEAG-CQSZACIVSA-N 0 0 294.370 2.631 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796846698 629978496 /nfs/dbraw/zinc/97/84/96/629978496.db2.gz IQNWVPOWRLFHCV-KOLCDFICSA-N 0 0 295.276 2.885 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796846695 629978525 /nfs/dbraw/zinc/97/85/25/629978525.db2.gz IQNWVPOWRLFHCV-GXSJLCMTSA-N 0 0 295.276 2.885 20 10 CFCDRN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796934979 629990794 /nfs/dbraw/zinc/99/07/94/629990794.db2.gz KTUMMRDPEMUBGT-IJEWVQPXSA-N 0 0 297.370 2.766 20 10 CFCDRN CC1=C[C@H](C)CN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000797412802 630063397 /nfs/dbraw/zinc/06/33/97/630063397.db2.gz ZPQKWIMXAIWDTL-ZDUSSCGKSA-N 0 0 287.407 2.860 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccc2c1CCO2 ZINC000797670810 630093784 /nfs/dbraw/zinc/09/37/84/630093784.db2.gz VZWOUTXZBAJHHZ-UHFFFAOYSA-N 0 0 284.315 2.649 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000797750570 630099948 /nfs/dbraw/zinc/09/99/48/630099948.db2.gz BQXACZYPQPLJSJ-ONGXEEELSA-N 0 0 299.317 2.580 20 10 CFCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCc1ccccc1O ZINC000797944002 630128190 /nfs/dbraw/zinc/12/81/90/630128190.db2.gz ZUYAGLNUMUSRRG-JTQLQIEISA-N 0 0 269.291 2.834 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000798105631 630150873 /nfs/dbraw/zinc/15/08/73/630150873.db2.gz GEDDVDGYJNULPO-GIPNMCIBSA-N 0 0 278.352 2.560 20 10 CFCDRN CCc1ccnc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000798118555 630152571 /nfs/dbraw/zinc/15/25/71/630152571.db2.gz FKYAFFPYDJITAU-UHFFFAOYSA-N 0 0 299.374 2.691 20 10 CFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000798218664 630168048 /nfs/dbraw/zinc/16/80/48/630168048.db2.gz MIZTVKRSSLLWAY-ZZXKWVIFSA-N 0 0 293.729 2.889 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H]2C)c1 ZINC000798410885 630188222 /nfs/dbraw/zinc/18/82/22/630188222.db2.gz CAMHYFODWMZVPM-RYUDHWBXSA-N 0 0 292.379 2.636 20 10 CFCDRN CCCC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000800275620 630365750 /nfs/dbraw/zinc/36/57/50/630365750.db2.gz BQOTYUHHIOIWOQ-SNVBAGLBSA-N 0 0 280.320 2.650 20 10 CFCDRN Oc1cc2c(cc1CN1CCCC[C@H]1C(F)F)OCO2 ZINC000800533147 630394705 /nfs/dbraw/zinc/39/47/05/630394705.db2.gz IAWROKYPCJTKAS-JTQLQIEISA-N 0 0 285.290 2.741 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC1 ZINC000839914053 630399529 /nfs/dbraw/zinc/39/95/29/630399529.db2.gz QAZVSARJSKFPOK-LBPRGKRZSA-N 0 0 260.381 2.518 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC1CC1 ZINC000839915425 630400300 /nfs/dbraw/zinc/40/03/00/630400300.db2.gz FFJWSDYUTOXYTI-ZDUSSCGKSA-N 0 0 274.408 2.908 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000839922116 630404136 /nfs/dbraw/zinc/40/41/36/630404136.db2.gz RHWVNOVMKDYEQG-XJKCOSOUSA-N 0 0 274.408 2.764 20 10 CFCDRN CO[C@@H](C)c1nsc(Sc2nccs2)n1 ZINC000800847384 630410646 /nfs/dbraw/zinc/41/06/46/630410646.db2.gz CGUYXKOHXYISPW-YFKPBYRVSA-N 0 0 259.381 2.853 20 10 CFCDRN COC[C@@](C)(NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000852717765 634812721 /nfs/dbraw/zinc/81/27/21/634812721.db2.gz JLMLXBYTRWJBDJ-CYBMUJFWSA-N 0 0 290.329 2.810 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1OCC ZINC000801545980 630456782 /nfs/dbraw/zinc/45/67/82/630456782.db2.gz TZMCEOZEUWRVQC-ZBFHGGJFSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]cn1 ZINC000801550102 630456960 /nfs/dbraw/zinc/45/69/60/630456960.db2.gz NSDZBIHXKHMVLP-UHFFFAOYSA-N 0 0 273.336 2.558 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@@](F)(CO)C2)cc1F ZINC000802661955 630536395 /nfs/dbraw/zinc/53/63/95/630536395.db2.gz YPFVJGTWTCTOSA-INIZCTEOSA-N 0 0 298.377 2.578 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2csc(C)c2)c1 ZINC000802783026 630547167 /nfs/dbraw/zinc/54/71/67/630547167.db2.gz DNASXVJQWLCJQQ-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN C[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000040313527 649984014 /nfs/dbraw/zinc/98/40/14/649984014.db2.gz VYNDAIGZDWLKJI-CYBMUJFWSA-N 0 0 268.360 2.731 20 10 CFCDRN CC[C@H]([NH2+]CC1(CO)CC1)c1cccc(Cl)c1[O-] ZINC000806141954 630773300 /nfs/dbraw/zinc/77/33/00/630773300.db2.gz MSEPHLBUANJVHE-LBPRGKRZSA-N 0 0 269.772 2.859 20 10 CFCDRN CC[C@H]([NH2+]CCn1cccn1)c1cccc(Cl)c1[O-] ZINC000806142877 630773607 /nfs/dbraw/zinc/77/36/07/630773607.db2.gz HHVWRSOWIAENNM-ZDUSSCGKSA-N 0 0 279.771 2.983 20 10 CFCDRN COc1ccc(C=C2SC(=S)NC2=O)c(C)c1OC ZINC000806553879 630809368 /nfs/dbraw/zinc/80/93/68/630809368.db2.gz BJTMRVOWCCYQEK-UXBLZVDNSA-N 0 0 295.385 2.501 20 10 CFCDRN C[C@@H](NC(=O)NCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000836405682 630811255 /nfs/dbraw/zinc/81/12/55/630811255.db2.gz KRVCGLPEQOBNAL-SNVBAGLBSA-N 0 0 285.338 2.768 20 10 CFCDRN CC(F)(F)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000836480080 630830456 /nfs/dbraw/zinc/83/04/56/630830456.db2.gz WONOHAIKADJPQL-UHFFFAOYSA-N 0 0 298.333 2.725 20 10 CFCDRN C[C@@H](F)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000836483404 630831362 /nfs/dbraw/zinc/83/13/62/630831362.db2.gz SSBLAKPYYFDDFC-GFCCVEGCSA-N 0 0 293.386 2.616 20 10 CFCDRN CC/C=C\CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000836574425 630852778 /nfs/dbraw/zinc/85/27/78/630852778.db2.gz YGNLTZGZFWDVHT-SREVYHEPSA-N 0 0 275.396 2.826 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H](C1CC1)C1CCC1 ZINC000836688048 630868841 /nfs/dbraw/zinc/86/88/41/630868841.db2.gz CRIKKRNOGVDTMG-OAHLLOKOSA-N 0 0 274.364 2.770 20 10 CFCDRN O=C(NCC1(C(F)(F)F)CC1)C1=CC(=O)CS1 ZINC000807702732 630904719 /nfs/dbraw/zinc/90/47/19/630904719.db2.gz CHHINTKGDJHOQI-UHFFFAOYSA-N 0 0 265.256 2.526 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC12CCC(CC1)CC2 ZINC000836881057 630906867 /nfs/dbraw/zinc/90/68/67/630906867.db2.gz GLJYDSJADGLXSS-DUXPYHPUSA-N 0 0 287.359 2.950 20 10 CFCDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cccc(O)c1O ZINC000836888069 630909508 /nfs/dbraw/zinc/90/95/08/630909508.db2.gz ITBLFLROTXLEPY-TZMCWYRMSA-N 0 0 277.364 2.850 20 10 CFCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1 ZINC000041373965 649990263 /nfs/dbraw/zinc/99/02/63/649990263.db2.gz UTDJFMYFQSGELW-UHFFFAOYSA-N 0 0 282.343 2.776 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NN2CCCC2)cc1 ZINC000808009348 630941774 /nfs/dbraw/zinc/94/17/74/630941774.db2.gz CMNQUTRHWHMBBU-UHFFFAOYSA-N 0 0 283.375 2.835 20 10 CFCDRN CCC(C)(C)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000837321076 630997476 /nfs/dbraw/zinc/99/74/76/630997476.db2.gz PJNRXRYZRCUJLU-UHFFFAOYSA-N 0 0 292.423 2.916 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1cc2c(cccc2Cl)s1 ZINC000808494597 631003069 /nfs/dbraw/zinc/00/30/69/631003069.db2.gz BFENHBISEFGIBQ-UHFFFAOYSA-N 0 0 296.731 2.870 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000808513343 631004738 /nfs/dbraw/zinc/00/47/38/631004738.db2.gz DPKBMOCLBSRFGU-AWEZNQCLSA-N 0 0 294.372 2.505 20 10 CFCDRN CC(=O)C(=O)COC(=O)C1CCC(c2ccccc2)CC1 ZINC000808521781 631007607 /nfs/dbraw/zinc/00/76/07/631007607.db2.gz DDYBMWGXZCZICH-UHFFFAOYSA-N 0 0 288.343 2.662 20 10 CFCDRN O=C(OC[C@@H]1CCC(F)(F)C1)c1cccc(O)c1O ZINC000837648423 631096947 /nfs/dbraw/zinc/09/69/47/631096947.db2.gz QXIVHWPGIRKMRA-MRVPVSSYSA-N 0 0 272.247 2.690 20 10 CFCDRN Cc1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000042117470 649995104 /nfs/dbraw/zinc/99/51/04/649995104.db2.gz GDFXUSKQTYPVSE-UHFFFAOYSA-N 0 0 269.344 2.902 20 10 CFCDRN COCC[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000840835013 631235342 /nfs/dbraw/zinc/23/53/42/631235342.db2.gz FCHDONFJMQBEEP-RYUDHWBXSA-N 0 0 295.379 2.502 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cn(C(C)C)nn1 ZINC000809634968 631252639 /nfs/dbraw/zinc/25/26/39/631252639.db2.gz CVVYDJRGRCBHQW-UHFFFAOYSA-N 0 0 286.379 2.820 20 10 CFCDRN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809706308 631268226 /nfs/dbraw/zinc/26/82/26/631268226.db2.gz UCALCZCRNLBDJF-NXEZZACHSA-N 0 0 287.762 2.947 20 10 CFCDRN Cc1noc(C(C)(C)NCc2ccc(N(C)C)cc2C)n1 ZINC000840943698 631275114 /nfs/dbraw/zinc/27/51/14/631275114.db2.gz ZNILNWXTLSTEFZ-UHFFFAOYSA-N 0 0 288.395 2.777 20 10 CFCDRN Cc1cc(O)c(CN[C@@H](C)C(=O)OC(C)C)c(Cl)c1 ZINC000840950849 631279814 /nfs/dbraw/zinc/27/98/14/631279814.db2.gz PBVTYYDCKDRKIR-JTQLQIEISA-N 0 0 285.771 2.784 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000840953807 631280426 /nfs/dbraw/zinc/28/04/26/631280426.db2.gz ZNCYBTKDSNYCSV-UHFFFAOYSA-N 0 0 274.408 2.673 20 10 CFCDRN CC(C)(C[NH2+]Cc1cccc(F)c1[O-])OCC1CC1 ZINC000840960632 631285940 /nfs/dbraw/zinc/28/59/40/631285940.db2.gz QOGVMBALEKBHJD-UHFFFAOYSA-N 0 0 267.344 2.826 20 10 CFCDRN OCCc1ccc(NCc2cccc(Cl)c2O)cn1 ZINC000809779914 631286191 /nfs/dbraw/zinc/28/61/91/631286191.db2.gz DTSWDFOPCGOJLA-UHFFFAOYSA-N 0 0 278.739 2.588 20 10 CFCDRN CN(C)c1ccc(CNCc2nnc(C3CC3)s2)cc1 ZINC000840973787 631290657 /nfs/dbraw/zinc/29/06/57/631290657.db2.gz USCRQCPCYARSTE-UHFFFAOYSA-N 0 0 288.420 2.771 20 10 CFCDRN Cc1cccc(CNc2cccc3c2COC3=O)c1O ZINC000809790225 631291561 /nfs/dbraw/zinc/29/15/61/631291561.db2.gz DCKHYJWNUAYKAR-UHFFFAOYSA-N 0 0 269.300 2.983 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(CCF)CC2)cc1 ZINC000809969043 631306558 /nfs/dbraw/zinc/30/65/58/631306558.db2.gz LRRNCTOHYTVMOO-UHFFFAOYSA-N 0 0 264.344 2.509 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCSC2)cc1 ZINC000809968663 631306595 /nfs/dbraw/zinc/30/65/95/631306595.db2.gz FQOWITQZYPCTHR-ZDUSSCGKSA-N 0 0 278.421 2.512 20 10 CFCDRN CCO/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841027464 631309358 /nfs/dbraw/zinc/30/93/58/631309358.db2.gz BJAHKYBFBRKWBC-VAWYXSNFSA-N 0 0 288.391 2.794 20 10 CFCDRN COc1ccc(N(CCC(C)C)Cc2cnn(C)n2)cc1 ZINC000810000658 631311584 /nfs/dbraw/zinc/31/15/84/631311584.db2.gz YWKNCZIMKBMQJM-UHFFFAOYSA-N 0 0 288.395 2.876 20 10 CFCDRN CNC(=O)c1cccc(COc2ccc(N(C)C)cc2)c1 ZINC000810002248 631311966 /nfs/dbraw/zinc/31/19/66/631311966.db2.gz VLNXCCFOPMTBBM-UHFFFAOYSA-N 0 0 284.359 2.691 20 10 CFCDRN Cc1nn(C)c(CNc2ccc(N)cc2)c1Br ZINC000841040544 631317455 /nfs/dbraw/zinc/31/74/55/631317455.db2.gz OMQYXXJINZHFNN-UHFFFAOYSA-N 0 0 295.184 2.685 20 10 CFCDRN CCC(CC)(CC)CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841067495 631328804 /nfs/dbraw/zinc/32/88/04/631328804.db2.gz BBBKUSMVPWDMFZ-UHFFFAOYSA-N 0 0 291.395 2.540 20 10 CFCDRN NC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000841087119 631335014 /nfs/dbraw/zinc/33/50/14/631335014.db2.gz MZHXXKMZTBMPBU-ZDUSSCGKSA-N 0 0 268.788 2.653 20 10 CFCDRN CC(C)[C@](C)(CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810172980 631338976 /nfs/dbraw/zinc/33/89/76/631338976.db2.gz SSFMIGFEQSRQHY-ZDUSSCGKSA-N 0 0 275.751 2.681 20 10 CFCDRN CC(C)[C@@](C)(CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000810172979 631339032 /nfs/dbraw/zinc/33/90/32/631339032.db2.gz SSFMIGFEQSRQHY-CYBMUJFWSA-N 0 0 275.751 2.681 20 10 CFCDRN CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)C[C@H]1OC ZINC000841298417 631377165 /nfs/dbraw/zinc/37/71/65/631377165.db2.gz OYCRCOAKBPCWPK-ZIAGYGMSSA-N 0 0 291.395 2.984 20 10 CFCDRN CC1(C)CCC[C@@](O)(CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841296594 631377277 /nfs/dbraw/zinc/37/72/77/631377277.db2.gz VYEQMZVWTKOISP-INIZCTEOSA-N 0 0 291.395 2.722 20 10 CFCDRN C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000841296513 631377379 /nfs/dbraw/zinc/37/73/79/631377379.db2.gz FPSRLALQHIWGRM-KWQFWETISA-N 0 0 271.324 2.759 20 10 CFCDRN CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841300142 631378235 /nfs/dbraw/zinc/37/82/35/631378235.db2.gz OLTVGDFIJPXCHA-KBPBESRZSA-N 0 0 289.379 2.738 20 10 CFCDRN Nc1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC000841299302 631378322 /nfs/dbraw/zinc/37/83/22/631378322.db2.gz ZOUBDFQOLAWLHD-UHFFFAOYSA-N 0 0 259.353 2.971 20 10 CFCDRN CCCCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841610127 631429236 /nfs/dbraw/zinc/42/92/36/631429236.db2.gz FXQFPBUQGUXQNR-UHFFFAOYSA-N 0 0 263.385 2.691 20 10 CFCDRN COC(=O)c1cnc(SC2CC(OC(C)C)C2)s1 ZINC000840210391 631448488 /nfs/dbraw/zinc/44/84/88/631448488.db2.gz ZKSNGMOXIWSAFU-UHFFFAOYSA-N 0 0 287.406 2.978 20 10 CFCDRN C[C@H]1CCCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841738176 631461974 /nfs/dbraw/zinc/46/19/74/631461974.db2.gz KHFHFHCIMBBRGF-DZGCQCFKSA-N 0 0 289.423 2.937 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000841737172 631462523 /nfs/dbraw/zinc/46/25/23/631462523.db2.gz CUWPUPSXKWKWGY-DLBZAZTESA-N 0 0 295.386 2.667 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1[O-] ZINC000841744124 631463318 /nfs/dbraw/zinc/46/33/18/631463318.db2.gz FHQFTEJGFQSASS-JQWIXIFHSA-N 0 0 268.788 2.790 20 10 CFCDRN CCn1cnnc1CN[C@H](C)c1ccc(Cl)cc1O ZINC000841743588 631463591 /nfs/dbraw/zinc/46/35/91/631463591.db2.gz BEDKMRSEMVXWBK-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)cc1[O-] ZINC000841748130 631464073 /nfs/dbraw/zinc/46/40/73/631464073.db2.gz HJORYVKLELTMHY-CABZTGNLSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(Cl)cc1[O-] ZINC000841750678 631464199 /nfs/dbraw/zinc/46/41/99/631464199.db2.gz ABNREXLBAFLWDL-CMPLNLGQSA-N 0 0 291.782 2.908 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1[O-] ZINC000841750679 631464405 /nfs/dbraw/zinc/46/44/05/631464405.db2.gz ABNREXLBAFLWDL-JQWIXIFHSA-N 0 0 291.782 2.908 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)cc1[O-] ZINC000841748131 631464575 /nfs/dbraw/zinc/46/45/75/631464575.db2.gz HJORYVKLELTMHY-JOYOIKCWSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)cc1[O-] ZINC000841752476 631465420 /nfs/dbraw/zinc/46/54/20/631465420.db2.gz AXUXJEHSOGTPKJ-GXSJLCMTSA-N 0 0 291.782 2.977 20 10 CFCDRN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754550 631466486 /nfs/dbraw/zinc/46/64/86/631466486.db2.gz KRIZIIKYNKNFGT-VYUIOLGVSA-N 0 0 289.828 2.809 20 10 CFCDRN COc1ccc(C[NH2+][C@H]2CCC[C@]2(C)C(=O)[O-])cc1C ZINC000841804187 631473826 /nfs/dbraw/zinc/47/38/26/631473826.db2.gz OIFYUZVNKMQSOK-HOCLYGCPSA-N 0 0 277.364 2.737 20 10 CFCDRN C[C@@H](CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000841815413 631474397 /nfs/dbraw/zinc/47/43/97/631474397.db2.gz IBTHVWGDUVLYPZ-LBPRGKRZSA-N 0 0 278.396 2.732 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841857373 631482317 /nfs/dbraw/zinc/48/23/17/631482317.db2.gz XFJHRHDUFLYPOX-UKRRQHHQSA-N 0 0 275.396 2.689 20 10 CFCDRN C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000841876557 631485490 /nfs/dbraw/zinc/48/54/90/631485490.db2.gz KXTWSJOGRMRZJY-XJKCOSOUSA-N 0 0 289.423 2.935 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000841876553 631485782 /nfs/dbraw/zinc/48/57/82/631485782.db2.gz KXTWSJOGRMRZJY-IOASZLSFSA-N 0 0 289.423 2.935 20 10 CFCDRN CC1(C)CC(CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841883953 631487248 /nfs/dbraw/zinc/48/72/48/631487248.db2.gz IKSZAENOIDLJMW-UHFFFAOYSA-N 0 0 275.396 2.547 20 10 CFCDRN CC[C@@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841908844 631493285 /nfs/dbraw/zinc/49/32/85/631493285.db2.gz VERFLJFREPZABA-CABCVRRESA-N 0 0 289.423 2.937 20 10 CFCDRN C[C@@H]1CCCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955106 631495549 /nfs/dbraw/zinc/49/55/49/631495549.db2.gz UXGRDXUHRGJKAX-CYBMUJFWSA-N 0 0 275.396 2.785 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC000841955220 631495680 /nfs/dbraw/zinc/49/56/80/631495680.db2.gz WFWVMKMXOTYOAA-CHWSQXEVSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@]1(NC(=O)NCCc2ccc(N)cc2)CC=CCC1 ZINC000841955611 631495944 /nfs/dbraw/zinc/49/59/44/631495944.db2.gz HZPNSYJHUZTMHA-INIZCTEOSA-N 0 0 273.380 2.609 20 10 CFCDRN C[C@@H]1CC[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957484 631496580 /nfs/dbraw/zinc/49/65/80/631496580.db2.gz KLWPEEKBWIKYRV-OLZOCXBDSA-N 0 0 275.396 2.641 20 10 CFCDRN Cc1ncsc1COC(=O)C1=CC(=O)CS1 ZINC000811120556 631518161 /nfs/dbraw/zinc/51/81/61/631518161.db2.gz RIZVLBJTGGBWLN-UHFFFAOYSA-N 0 0 255.320 2.576 20 10 CFCDRN CCC(C)(C)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000811156033 631525947 /nfs/dbraw/zinc/52/59/47/631525947.db2.gz FPLBZSOTBMCGBP-VURMDHGXSA-N 0 0 292.331 2.660 20 10 CFCDRN CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)CC(C)C ZINC000842186193 631564235 /nfs/dbraw/zinc/56/42/35/631564235.db2.gz CODDELKROBLGQP-CQSZACIVSA-N 0 0 294.395 2.595 20 10 CFCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000811806164 631624941 /nfs/dbraw/zinc/62/49/41/631624941.db2.gz KQSLKTCNUMQMDJ-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN CCc1csc(NCCc2ccc(O)c(O)c2)n1 ZINC000811811601 631626487 /nfs/dbraw/zinc/62/64/87/631626487.db2.gz YJBNBLZQWYZACM-UHFFFAOYSA-N 0 0 264.350 2.771 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOC/C=C\Cl ZINC000811982070 631648556 /nfs/dbraw/zinc/64/85/56/631648556.db2.gz NCIJMXWKWFJIPZ-DAXSKMNVSA-N 0 0 297.786 2.544 20 10 CFCDRN CCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC000812028962 631654532 /nfs/dbraw/zinc/65/45/32/631654532.db2.gz YDOCZPUKDNBMKT-UHFFFAOYSA-N 0 0 288.395 2.938 20 10 CFCDRN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cccc(O)c1O ZINC000812419709 631714236 /nfs/dbraw/zinc/71/42/36/631714236.db2.gz OYLDMCJWHHIMKU-NEPJUHHUSA-N 0 0 293.363 2.928 20 10 CFCDRN Cc1cc(C(=O)N2CCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000155702335 650029965 /nfs/dbraw/zinc/02/99/65/650029965.db2.gz RJOYDMRPKRICNG-UHFFFAOYSA-N 0 0 295.342 2.743 20 10 CFCDRN C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843046396 631813937 /nfs/dbraw/zinc/81/39/37/631813937.db2.gz UALXNAAOZSNOGP-TVQRCGJNSA-N 0 0 286.778 2.886 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055762 631818519 /nfs/dbraw/zinc/81/85/19/631818519.db2.gz OSSVPCGMIRKRDC-LBPRGKRZSA-N 0 0 284.762 2.511 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843119306 631841946 /nfs/dbraw/zinc/84/19/46/631841946.db2.gz XIRGBMWAIIGZGK-HNNXBMFYSA-N 0 0 298.789 2.760 20 10 CFCDRN COCCC1(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843158356 631869907 /nfs/dbraw/zinc/86/99/07/631869907.db2.gz BSTXWYJODRFMRH-UHFFFAOYSA-N 0 0 287.363 2.701 20 10 CFCDRN CC[C@@H]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159445 631870353 /nfs/dbraw/zinc/87/03/53/631870353.db2.gz PMOUQODGGBGSGY-OLZOCXBDSA-N 0 0 273.336 2.873 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1ccc3c(c1)CCN3C)N2 ZINC000843272674 631914808 /nfs/dbraw/zinc/91/48/08/631914808.db2.gz MNDZWCXGBYUIPF-QGZVFWFLSA-N 0 0 293.370 2.841 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1OC1CC1 ZINC000813490356 631926091 /nfs/dbraw/zinc/92/60/91/631926091.db2.gz JTKBFDYBHBNSHJ-UHFFFAOYSA-N 0 0 299.326 2.569 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(F)CCCCC1 ZINC000813513166 631928104 /nfs/dbraw/zinc/92/81/04/631928104.db2.gz JFHGVIWVSHJFDB-NSHDSACASA-N 0 0 295.354 2.817 20 10 CFCDRN CN1CCN(Cc2cc3c(cc2O)OCO3)c2ccccc21 ZINC000156025906 650040981 /nfs/dbraw/zinc/04/09/81/650040981.db2.gz BAELOZOWFIZUMC-UHFFFAOYSA-N 0 0 298.342 2.577 20 10 CFCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)Cc2ccccc21 ZINC000843367803 631939379 /nfs/dbraw/zinc/93/93/79/631939379.db2.gz HRQPOYXDTGJLRH-ZDUSSCGKSA-N 0 0 280.371 2.957 20 10 CFCDRN CCOCc1cc(CNCc2ccno2)ccc1OC ZINC000843402239 631945858 /nfs/dbraw/zinc/94/58/58/631945858.db2.gz DIXBWPSAWJJMRR-UHFFFAOYSA-N 0 0 276.336 2.510 20 10 CFCDRN COc1ccc(N(C)Cc2cncnc2OC)cc1Cl ZINC000843405108 631946772 /nfs/dbraw/zinc/94/67/72/631946772.db2.gz NFDQGNCZANIAJM-UHFFFAOYSA-N 0 0 293.754 2.784 20 10 CFCDRN Cc1ccc([C@@H]2C[C@H]2NC(=O)Cc2ccc(N)cc2)cc1 ZINC000843509210 631969948 /nfs/dbraw/zinc/96/99/48/631969948.db2.gz ZAWFCNCHBHCGSK-DLBZAZTESA-N 0 0 280.371 2.792 20 10 CFCDRN CC[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000814160065 632019175 /nfs/dbraw/zinc/01/91/75/632019175.db2.gz OGFLDGQRFNGCJO-LBPRGKRZSA-N 0 0 292.404 2.656 20 10 CFCDRN COC(=O)[C@H](CC(C)C)N(C)Cc1cc(F)ccc1O ZINC000814177832 632024218 /nfs/dbraw/zinc/02/42/18/632024218.db2.gz QHVLLDPFEQAOPX-ZDUSSCGKSA-N 0 0 283.343 2.551 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C(F)F)o1 ZINC000814362607 632055205 /nfs/dbraw/zinc/05/52/05/632055205.db2.gz GVYSPPZVQPSGIR-UHFFFAOYSA-N 0 0 282.294 2.994 20 10 CFCDRN COc1cccc(CNC(=O)C2CC3(CCC3)C2)c1O ZINC000843833291 632064122 /nfs/dbraw/zinc/06/41/22/632064122.db2.gz RESAMUORGDYLPH-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN CCC1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000840321546 632065242 /nfs/dbraw/zinc/06/52/42/632065242.db2.gz QHTUDDPGNUVYGW-FNORWQNLSA-N 0 0 290.319 2.627 20 10 CFCDRN CC[C@@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844281160 632154480 /nfs/dbraw/zinc/15/44/80/632154480.db2.gz MNFLMPDYOWNOTM-CYBMUJFWSA-N 0 0 293.411 2.571 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000844304419 632162452 /nfs/dbraw/zinc/16/24/52/632162452.db2.gz DGYRVOFXPQEHPL-UKPHBRMFSA-N 0 0 284.403 2.971 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000844352811 632176612 /nfs/dbraw/zinc/17/66/12/632176612.db2.gz JAVKDYFRBKJJQL-AWEZNQCLSA-N 0 0 275.348 2.617 20 10 CFCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2C)cc1 ZINC000844352856 632176868 /nfs/dbraw/zinc/17/68/68/632176868.db2.gz AILSMXULOYNEIL-UHFFFAOYSA-N 0 0 259.353 2.682 20 10 CFCDRN COc1ccc(N(C)CC(=O)N(C)C2CCCCC2)cc1 ZINC000844352869 632176941 /nfs/dbraw/zinc/17/69/41/632176941.db2.gz ARUQSXQVTNNVIZ-UHFFFAOYSA-N 0 0 290.407 2.923 20 10 CFCDRN COC(=O)c1ccoc1CN(C)c1ccc(OC)cc1 ZINC000844355383 632177601 /nfs/dbraw/zinc/17/76/01/632177601.db2.gz QAZRUTZPENCLMI-UHFFFAOYSA-N 0 0 275.304 2.711 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2CC(C)C)cc1 ZINC000844353377 632177631 /nfs/dbraw/zinc/17/76/31/632177631.db2.gz USYMKPBVQSTSEM-UHFFFAOYSA-N 0 0 274.368 2.579 20 10 CFCDRN COc1ccc(N(C)CCO[C@H]2CCCCO2)cc1 ZINC000844353189 632177799 /nfs/dbraw/zinc/17/77/99/632177799.db2.gz QLGZVUGHONEEQJ-HNNXBMFYSA-N 0 0 265.353 2.675 20 10 CFCDRN CC[C@@H]1CCCCN1C(=O)CN(C)c1ccc(OC)cc1 ZINC000844353726 632178112 /nfs/dbraw/zinc/17/81/12/632178112.db2.gz XNGVTAHFAIHULA-CQSZACIVSA-N 0 0 290.407 2.923 20 10 CFCDRN COc1ccc(N(C)CCN(C)CC(F)(F)F)cc1 ZINC000844399139 632194652 /nfs/dbraw/zinc/19/46/52/632194652.db2.gz HKQNNJJFZIAOPC-UHFFFAOYSA-N 0 0 276.302 2.626 20 10 CFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815073266 632195194 /nfs/dbraw/zinc/19/51/94/632195194.db2.gz ZRDZMRPHHIWTFG-OAHLLOKOSA-N 0 0 292.423 2.738 20 10 CFCDRN Cc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1N(C)C ZINC000815112576 632203720 /nfs/dbraw/zinc/20/37/20/632203720.db2.gz USWOVVUBHYNUKA-CQSZACIVSA-N 0 0 284.350 2.527 20 10 CFCDRN Cc1cc(CN(C)[C@H]2CC(C)(C)OC2=O)ccc1N(C)C ZINC000815120906 632206734 /nfs/dbraw/zinc/20/67/34/632206734.db2.gz OXYVQBGMPKFTSG-HNNXBMFYSA-N 0 0 290.407 2.587 20 10 CFCDRN CN(C)c1ccc(CNCc2cnn(C)c2Cl)cc1F ZINC000815122269 632207049 /nfs/dbraw/zinc/20/70/49/632207049.db2.gz LGDVVDGKHTWRMI-UHFFFAOYSA-N 0 0 296.777 2.568 20 10 CFCDRN CC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)O ZINC000815154601 632219471 /nfs/dbraw/zinc/21/94/71/632219471.db2.gz HFWSQVGLOSYXLO-LLVKDONJSA-N 0 0 275.751 2.824 20 10 CFCDRN Oc1ccc(Cl)cc1CNC(=S)NCC(F)(F)F ZINC000844584127 632254964 /nfs/dbraw/zinc/25/49/64/632254964.db2.gz NQQPNMGTHPZLAZ-UHFFFAOYSA-N 0 0 298.717 2.572 20 10 CFCDRN C[C@@H]([NH2+]CCN1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815597911 632295596 /nfs/dbraw/zinc/29/55/96/632295596.db2.gz IQUGGINQRWCCFN-SNVBAGLBSA-N 0 0 288.313 2.767 20 10 CFCDRN C[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815599424 632295683 /nfs/dbraw/zinc/29/56/83/632295683.db2.gz SQXIWYGTXVVKBQ-VIFPVBQESA-N 0 0 299.296 2.995 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000815796675 632321070 /nfs/dbraw/zinc/32/10/70/632321070.db2.gz HHXPOANPOSEKFY-CQSZACIVSA-N 0 0 297.354 2.786 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)C2(C)CCC2)cc1 ZINC000844855214 632323864 /nfs/dbraw/zinc/32/38/64/632323864.db2.gz RFVKQXZVSRDWOB-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN CC(F)(F)CNC(=O)NCc1cc(Cl)ccc1O ZINC000845221222 632387549 /nfs/dbraw/zinc/38/75/49/632387549.db2.gz DSWLTJNIGPAWLE-UHFFFAOYSA-N 0 0 278.686 2.500 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(/C)COC ZINC000845311451 632409151 /nfs/dbraw/zinc/40/91/51/632409151.db2.gz YKCIBQVJYPWFOF-KAMYIIQDSA-N 0 0 290.407 2.694 20 10 CFCDRN CCOC(=O)CN(CC)Cc1ccc2ccccc2c1O ZINC000816495039 632470288 /nfs/dbraw/zinc/47/02/88/632470288.db2.gz HZFMZFDBSFEDHJ-UHFFFAOYSA-N 0 0 287.359 2.930 20 10 CFCDRN C[N@H+](Cc1cn[nH]c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816512466 632475819 /nfs/dbraw/zinc/47/58/19/632475819.db2.gz JVAVEIFVLFXJDJ-UHFFFAOYSA-N 0 0 269.707 2.540 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000816518946 632478588 /nfs/dbraw/zinc/47/85/88/632478588.db2.gz SNPHFOQOKRWZIW-AWEZNQCLSA-N 0 0 285.746 2.797 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cccnc1 ZINC000816534493 632479647 /nfs/dbraw/zinc/47/96/47/632479647.db2.gz KPOYEYWLLKECGJ-UHFFFAOYSA-N 0 0 280.730 2.912 20 10 CFCDRN Cn1cc(NCc2ccc3ccccc3c2O)cn1 ZINC000816546382 632481495 /nfs/dbraw/zinc/48/14/95/632481495.db2.gz IIKNFNCZJFARNR-UHFFFAOYSA-N 0 0 253.305 2.891 20 10 CFCDRN CC[C@H](O)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816552767 632481625 /nfs/dbraw/zinc/48/16/25/632481625.db2.gz VVIYSMKZQNPFJN-JTQLQIEISA-N 0 0 275.751 2.825 20 10 CFCDRN C[C@H]1CCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816563204 632485128 /nfs/dbraw/zinc/48/51/28/632485128.db2.gz NWABSHBEWOWYAR-JTQLQIEISA-N 0 0 286.778 2.759 20 10 CFCDRN CN(CC[N@H+](C)C1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816611471 632493972 /nfs/dbraw/zinc/49/39/72/632493972.db2.gz QUHFSVKPQYZUFR-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN CCOc1ccc(O)c(CN2C[C@@H](CO)c3ccccc32)c1 ZINC000816637115 632498350 /nfs/dbraw/zinc/49/83/50/632498350.db2.gz SHFUEWLKHPELLV-AWEZNQCLSA-N 0 0 299.370 2.887 20 10 CFCDRN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816660954 632507592 /nfs/dbraw/zinc/50/75/92/632507592.db2.gz WAVRVFVWALVBGW-YMTOWFKASA-N 0 0 287.762 2.825 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C2CC2)CC1 ZINC000816906599 632533803 /nfs/dbraw/zinc/53/38/03/632533803.db2.gz ORZZFZJILLFTHD-KXFIGUGUSA-N 0 0 287.359 2.760 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)Cc2ccccc2O1 ZINC000817047944 632549382 /nfs/dbraw/zinc/54/93/82/632549382.db2.gz KGHYWPVXPNCVGH-NSHDSACASA-N 0 0 299.326 2.521 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1C1CCCC1 ZINC000845833472 632577308 /nfs/dbraw/zinc/57/73/08/632577308.db2.gz GQWPDHMDQWKMGS-OLZOCXBDSA-N 0 0 275.348 2.540 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc2C1 ZINC000845833737 632577521 /nfs/dbraw/zinc/57/75/21/632577521.db2.gz ICRPAPSGUZFBBR-OAHLLOKOSA-N 0 0 297.354 2.519 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000845833413 632577814 /nfs/dbraw/zinc/57/78/14/632577814.db2.gz KZJFORMBLGFOKY-LSDHHAIUSA-N 0 0 289.375 2.843 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846008461 632611684 /nfs/dbraw/zinc/61/16/84/632611684.db2.gz OFBRYWUKFDRWFY-UHFFFAOYSA-N 0 0 299.773 2.922 20 10 CFCDRN COc1cccc(O)c1CN1CCCC(F)(F)C1 ZINC000846012657 632614236 /nfs/dbraw/zinc/61/42/36/632614236.db2.gz BDXNWBMHRPLHER-UHFFFAOYSA-N 0 0 257.280 2.632 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1nn(C)c(C)c1Cl ZINC000817405483 632621423 /nfs/dbraw/zinc/62/14/23/632621423.db2.gz JVSHPONFMOFBIB-UHFFFAOYSA-N 0 0 291.782 2.953 20 10 CFCDRN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CO1 ZINC000846042636 632622983 /nfs/dbraw/zinc/62/29/83/632622983.db2.gz DVOVNXGXMJWBMD-OCCSQVGLSA-N 0 0 280.387 2.891 20 10 CFCDRN CCc1ccncc1NCc1cccc(OC)c1O ZINC000846071922 632629399 /nfs/dbraw/zinc/62/93/99/632629399.db2.gz UABBBBYSEVKIHC-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846104870 632632105 /nfs/dbraw/zinc/63/21/05/632632105.db2.gz LSKFSZVDAKOCIH-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111889 632635536 /nfs/dbraw/zinc/63/55/36/632635536.db2.gz ODXNXVOBVORRKD-DTORHVGOSA-N 0 0 277.673 2.882 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC12CC2 ZINC000817549293 632660286 /nfs/dbraw/zinc/66/02/86/632660286.db2.gz IUDHJIGUSZLWQZ-AWEZNQCLSA-N 0 0 271.360 2.687 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CO)CCF)c1cccc(Cl)c1[O-] ZINC000846207764 632660752 /nfs/dbraw/zinc/66/07/52/632660752.db2.gz DPLNYYYMFMWJMV-SKDRFNHKSA-N 0 0 275.751 2.807 20 10 CFCDRN COC1([C@H](C)[NH2+][C@@H](C)c2ccccc2O)CCOCC1 ZINC000817588027 632672211 /nfs/dbraw/zinc/67/22/11/632672211.db2.gz LGRZJWLWESVVIH-STQMWFEESA-N 0 0 279.380 2.627 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000846264434 632676505 /nfs/dbraw/zinc/67/65/05/632676505.db2.gz CXVMLBWMABTRAG-UHFFFAOYSA-N 0 0 278.396 2.685 20 10 CFCDRN CCN(C)c1ccc(C[NH+]2CCC(CC(=O)[O-])CC2)cc1 ZINC000846267828 632678028 /nfs/dbraw/zinc/67/80/28/632678028.db2.gz DUZJCPIMTBUKNB-UHFFFAOYSA-N 0 0 290.407 2.829 20 10 CFCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846277870 632681000 /nfs/dbraw/zinc/68/10/00/632681000.db2.gz JXOPDMXDIPGNNM-CYBMUJFWSA-N 0 0 278.396 2.746 20 10 CFCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC000846474656 632716465 /nfs/dbraw/zinc/71/64/65/632716465.db2.gz YRTCQUAQOYEOIL-NXEZZACHSA-N 0 0 295.766 2.667 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C1(CCF)CC1 ZINC000846477626 632717256 /nfs/dbraw/zinc/71/72/56/632717256.db2.gz UFSBXBIFXSZHFS-UHFFFAOYSA-N 0 0 271.719 2.802 20 10 CFCDRN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817881043 632717080 /nfs/dbraw/zinc/71/70/80/632717080.db2.gz FIVWHOMSXXBFSJ-GXSJLCMTSA-N 0 0 283.755 2.588 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846476673 632717415 /nfs/dbraw/zinc/71/74/15/632717415.db2.gz OIYGEHIIZWZYDX-QMMMGPOBSA-N 0 0 273.785 2.803 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000817955378 632755039 /nfs/dbraw/zinc/75/50/39/632755039.db2.gz XBOAGQHCJRKOJU-XHDPSFHLSA-N 0 0 274.339 2.882 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cccc(Cl)c1[O-] ZINC000817976528 632774549 /nfs/dbraw/zinc/77/45/49/632774549.db2.gz NCVBXMZPNVLAJV-KWBADKCTSA-N 0 0 286.778 2.786 20 10 CFCDRN Cc1ccc(O)c(CNc2cncc(OC(C)C)n2)c1 ZINC000846777907 632795309 /nfs/dbraw/zinc/79/53/09/632795309.db2.gz UJYRQMYCBLRQCB-UHFFFAOYSA-N 0 0 273.336 2.890 20 10 CFCDRN CCCN(Cc1cc(C(C)=O)no1)Cc1ccccc1O ZINC000846807285 632802937 /nfs/dbraw/zinc/80/29/37/632802937.db2.gz BTBZRKKQXZCTCJ-UHFFFAOYSA-N 0 0 288.347 2.995 20 10 CFCDRN C[C@@H](NC(=O)N[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000840353684 632804086 /nfs/dbraw/zinc/80/40/86/632804086.db2.gz FCYKZLPOXAYDBO-RISCZKNCSA-N 0 0 275.396 2.911 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000818358272 632836936 /nfs/dbraw/zinc/83/69/36/632836936.db2.gz SABSZMHBCNCDEK-QJPTWQEYSA-N 0 0 255.745 2.610 20 10 CFCDRN CSC[C@H](C)C(=O)NCCCSc1nccs1 ZINC000114376068 635831305 /nfs/dbraw/zinc/83/13/05/635831305.db2.gz NOQSNROHEOSEDN-VIFPVBQESA-N 0 0 290.479 2.741 20 10 CFCDRN Nc1ccc(CCNC(=O)c2coc(C3CCCC3)n2)cc1 ZINC000818545163 632863663 /nfs/dbraw/zinc/86/36/63/632863663.db2.gz MGSDNAZFASJMKT-UHFFFAOYSA-N 0 0 299.374 2.887 20 10 CFCDRN Nc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000818556366 632865445 /nfs/dbraw/zinc/86/54/45/632865445.db2.gz OWNBWTFUTDXHOQ-UHFFFAOYSA-N 0 0 270.336 2.833 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]CC(CC)(CC)C(=O)[O-])c1 ZINC000818631052 632885302 /nfs/dbraw/zinc/88/53/02/632885302.db2.gz AYFJMCFVXJTFHL-UHFFFAOYSA-N 0 0 295.379 2.772 20 10 CFCDRN CCOc1ccccc1NC[C@H](O)CCOC(C)C ZINC000819392476 633145413 /nfs/dbraw/zinc/14/54/13/633145413.db2.gz DNKLTSDAFGWOAL-CYBMUJFWSA-N 0 0 267.369 2.673 20 10 CFCDRN CC[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1 ZINC000819427646 633159651 /nfs/dbraw/zinc/15/96/51/633159651.db2.gz ULKFULYEAAIOFX-ZIAGYGMSSA-N 0 0 279.380 2.817 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nnc(C)c(C)n1 ZINC000840384661 633164074 /nfs/dbraw/zinc/16/40/74/633164074.db2.gz NTDAETMNOCUNKV-GFCCVEGCSA-N 0 0 299.422 2.906 20 10 CFCDRN CSC[C@H](O)CNc1ccccc1OCC1CC1 ZINC000819452436 633167622 /nfs/dbraw/zinc/16/76/22/633167622.db2.gz SGUWJHVLNPRKBX-GFCCVEGCSA-N 0 0 267.394 2.611 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000819483827 633179070 /nfs/dbraw/zinc/17/90/70/633179070.db2.gz CHEPCHWWBJOWDS-YRGRVCCFSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1CO ZINC000857061266 635922177 /nfs/dbraw/zinc/92/21/77/635922177.db2.gz NIRUCONCBWIKLF-GXSJLCMTSA-N 0 0 287.762 2.635 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000857080640 635926470 /nfs/dbraw/zinc/92/64/70/635926470.db2.gz JYQPKWBJWVUFDM-KOLCDFICSA-N 0 0 299.317 2.875 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@H](OC3CCC3)C2)cc1 ZINC000848595125 633297706 /nfs/dbraw/zinc/29/77/06/633297706.db2.gz SZPFWLYUOLXRDE-HNNXBMFYSA-N 0 0 289.379 2.834 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639758 633305560 /nfs/dbraw/zinc/30/55/60/633305560.db2.gz LAGDJBUOVIUHCI-TVYUQYBPSA-N 0 0 295.354 2.756 20 10 CFCDRN CCc1cc(NCc2cccc(CC)c2O)n(C)n1 ZINC000848901226 633389380 /nfs/dbraw/zinc/38/93/80/633389380.db2.gz PSAOECYCFISRNC-UHFFFAOYSA-N 0 0 259.353 2.863 20 10 CFCDRN CCc1cccc(CN2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c1O ZINC000848911220 633397045 /nfs/dbraw/zinc/39/70/45/633397045.db2.gz RZNGIKVZRSBGLL-PGICJIBASA-N 0 0 295.448 2.686 20 10 CFCDRN CCc1cccc(CNCc2nccc(C(F)F)n2)c1O ZINC000848912840 633398395 /nfs/dbraw/zinc/39/83/95/633398395.db2.gz XQYJBVPAPDAWOL-UHFFFAOYSA-N 0 0 293.317 2.972 20 10 CFCDRN Cc1cccc(CN[C@H](C)C(=O)OCc2ccccc2)c1O ZINC000848920691 633402708 /nfs/dbraw/zinc/40/27/08/633402708.db2.gz JIJDQEPMBQZOIS-CQSZACIVSA-N 0 0 299.370 2.922 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2(C)CC=CC2)ccc1[N+](=O)[O-] ZINC000848922211 633404117 /nfs/dbraw/zinc/40/41/17/633404117.db2.gz MPHYUHRLDMNVNJ-UHFFFAOYSA-N 0 0 278.308 2.507 20 10 CFCDRN O=C(NCCCSc1nccs1)Nc1ccncc1 ZINC000115171238 635976893 /nfs/dbraw/zinc/97/68/93/635976893.db2.gz RCLQTNUSOJXGCK-UHFFFAOYSA-N 0 0 294.405 2.842 20 10 CFCDRN Cc1cc(-c2nnc3n2CCOC3)c(C)n1-c1ccccc1 ZINC000849120941 633487297 /nfs/dbraw/zinc/48/72/97/633487297.db2.gz FKEONQKFFYFFFS-UHFFFAOYSA-N 0 0 294.358 2.883 20 10 CFCDRN COCc1csc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000849174028 633580385 /nfs/dbraw/zinc/58/03/85/633580385.db2.gz NNMROZIWDLQJAZ-RUDMXATFSA-N 0 0 285.415 2.726 20 10 CFCDRN Fc1cc(/C=C\c2cnccn2)ccc1N1CCOCC1 ZINC000849246905 633589786 /nfs/dbraw/zinc/58/97/86/633589786.db2.gz XMVFTONYVXEXAY-IWQZZHSRSA-N 0 0 285.322 2.623 20 10 CFCDRN COc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000849415955 633632577 /nfs/dbraw/zinc/63/25/77/633632577.db2.gz IXOIGMSQMAXJEW-GFCCVEGCSA-N 0 0 292.379 2.799 20 10 CFCDRN O=C(OCc1cc(C2CC2)no1)C1=CC(=O)CS1 ZINC000849727780 633691430 /nfs/dbraw/zinc/69/14/30/633691430.db2.gz GVZNPIVLHQQGJT-UHFFFAOYSA-N 0 0 265.290 2.676 20 10 CFCDRN CC(=O)C(=O)COC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000849973062 633778246 /nfs/dbraw/zinc/77/82/46/633778246.db2.gz MTHDPEIILMPLDQ-UHFFFAOYSA-N 0 0 268.353 2.540 20 10 CFCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)NC1CC1 ZINC000849998321 633786497 /nfs/dbraw/zinc/78/64/97/633786497.db2.gz NAHYWCYGXOWZLS-RXMQYKEDSA-N 0 0 262.787 2.556 20 10 CFCDRN COC(=O)[C@@H](Sc1ncc(Cl)s1)C1CC1 ZINC000850000563 633786833 /nfs/dbraw/zinc/78/68/33/633786833.db2.gz ZKLPTRWDUMBSBO-ZETCQYMHSA-N 0 0 263.771 2.840 20 10 CFCDRN CCOC(=O)C[C@@H](Sc1ncc(Cl)s1)C(C)=O ZINC000850000117 633787139 /nfs/dbraw/zinc/78/71/39/633787139.db2.gz JROHKSCCPMGRJH-SSDOTTSWSA-N 0 0 293.797 2.799 20 10 CFCDRN COC[C@H](CSc1ncc(Cl)s1)OC ZINC000850001506 633787835 /nfs/dbraw/zinc/78/78/35/633787835.db2.gz IGSHGDYGZNBJIR-ZCFIWIBFSA-N 0 0 253.776 2.550 20 10 CFCDRN COc1cccc(O)c1CN[C@H](C)c1cscn1 ZINC000850359584 633954797 /nfs/dbraw/zinc/95/47/97/633954797.db2.gz LDASBZQLHSFQLM-SECBINFHSA-N 0 0 264.350 2.708 20 10 CFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC2)c1 ZINC000858174761 636148868 /nfs/dbraw/zinc/14/88/68/636148868.db2.gz VIKDXIIPQFAKTC-UHFFFAOYSA-N 0 0 282.343 2.753 20 10 CFCDRN CC[C@H]([NH2+]C/C=C/CO)c1cccc(Cl)c1[O-] ZINC000850510504 634023551 /nfs/dbraw/zinc/02/35/51/634023551.db2.gz XOMLTOJZTABUFU-PCAWENJQSA-N 0 0 255.745 2.635 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850513364 634025885 /nfs/dbraw/zinc/02/58/85/634025885.db2.gz GPRVNUAPZPEAFG-LSJOCFKGSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850521444 634029353 /nfs/dbraw/zinc/02/93/53/634029353.db2.gz VXUITDHACRGMQD-HQJQHLMTSA-N 0 0 293.260 2.745 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2ccoc2)c1 ZINC000850531040 634037775 /nfs/dbraw/zinc/03/77/75/634037775.db2.gz GNJDFMKMMXTBEF-NSHDSACASA-N 0 0 289.331 2.665 20 10 CFCDRN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850536946 634042907 /nfs/dbraw/zinc/04/29/07/634042907.db2.gz PDRUOMATAXXJHZ-QPUJVOFHSA-N 0 0 286.278 2.996 20 10 CFCDRN Cc1ccc([C@H](C)NCc2ncccn2)c(O)c1C ZINC000850552499 634050866 /nfs/dbraw/zinc/05/08/66/634050866.db2.gz NQIQJOORAXUFRI-LBPRGKRZSA-N 0 0 257.337 2.650 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccc(F)cc1[O-] ZINC000850570861 634057574 /nfs/dbraw/zinc/05/75/74/634057574.db2.gz JIPIKJKJRCZRGE-BNOWGMLFSA-N 0 0 253.317 2.749 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1CC1 ZINC000007500787 634062949 /nfs/dbraw/zinc/06/29/49/634062949.db2.gz KDRMIDWVGOVPRH-UHFFFAOYSA-N 0 0 277.437 2.611 20 10 CFCDRN COCc1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000109599073 634111465 /nfs/dbraw/zinc/11/14/65/634111465.db2.gz YGWOZPWNBFHPMI-UHFFFAOYSA-N 0 0 255.277 2.674 20 10 CFCDRN Cc1ccccc1NC(=O)CN(C)Cc1ccccc1O ZINC000109770285 634233944 /nfs/dbraw/zinc/23/39/44/634233944.db2.gz RRSVPSJXICCFMZ-UHFFFAOYSA-N 0 0 284.359 2.771 20 10 CFCDRN CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000109773191 634234220 /nfs/dbraw/zinc/23/42/20/634234220.db2.gz CYYRCAVVTPVDIP-UHFFFAOYSA-N 0 0 278.333 2.994 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CC2(C)C)cc1 ZINC000853245340 634950396 /nfs/dbraw/zinc/95/03/96/634950396.db2.gz WWVONIPCDOPNJY-AWEZNQCLSA-N 0 0 289.423 2.940 20 10 CFCDRN CCc1nnc([C@H](C)N(C)Cc2ccccc2O)o1 ZINC000111235973 634963631 /nfs/dbraw/zinc/96/36/31/634963631.db2.gz ZEVIQDKXJLVMRP-JTQLQIEISA-N 0 0 261.325 2.531 20 10 CFCDRN COc1ccc(N(C)C[C@H](O)COc2ccccc2)cc1 ZINC000008697944 634965496 /nfs/dbraw/zinc/96/54/96/634965496.db2.gz SVVHCRNIFUYRCH-HNNXBMFYSA-N 0 0 287.359 2.571 20 10 CFCDRN CCNc1nccnc1NCc1ccc(N(C)C)cc1C ZINC000853342207 634977025 /nfs/dbraw/zinc/97/70/25/634977025.db2.gz HAPYAXOLFANIGG-UHFFFAOYSA-N 0 0 285.395 2.895 20 10 CFCDRN CCC(F)(F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000854324129 635290224 /nfs/dbraw/zinc/29/02/24/635290224.db2.gz HFHQWTMAYNDMNX-UHFFFAOYSA-N 0 0 270.323 2.756 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(C)=NO1 ZINC000854375061 635297604 /nfs/dbraw/zinc/29/76/04/635297604.db2.gz FNLBZKUYDQLKAJ-OAHLLOKOSA-N 0 0 290.363 2.686 20 10 CFCDRN COC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000112686571 635403599 /nfs/dbraw/zinc/40/35/99/635403599.db2.gz XHFQJPGWPRBFNW-UHFFFAOYSA-N 0 0 289.253 2.511 20 10 CFCDRN C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccccc2O)C1 ZINC000112724696 635411560 /nfs/dbraw/zinc/41/15/60/635411560.db2.gz FETIPSJWHYPLJA-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)C1(CO)CCCC1 ZINC000855039529 635448135 /nfs/dbraw/zinc/44/81/35/635448135.db2.gz MSCCZKZCEQYHAW-ZDUSSCGKSA-N 0 0 297.420 2.761 20 10 CFCDRN CCC/C=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227509 635490221 /nfs/dbraw/zinc/49/02/21/635490221.db2.gz XEFJFLIBCGZNKB-VBROQKIQSA-N 0 0 288.391 2.746 20 10 CFCDRN Cc1ccc(C(=O)NCCCC2CCC2)c(O)c1O ZINC000855801894 635654793 /nfs/dbraw/zinc/65/47/93/635654793.db2.gz AQRLHBVHMXMERS-UHFFFAOYSA-N 0 0 263.337 2.716 20 10 CFCDRN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(O)c1O ZINC000856272716 635771228 /nfs/dbraw/zinc/77/12/28/635771228.db2.gz 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VTWBPOKQBWJIPH-UHFFFAOYSA-N 0 0 298.386 3.000 20 10 CFCDRN O=C(CCc1cscn1)NCc1cc(Cl)ccc1O ZINC000857547567 635982849 /nfs/dbraw/zinc/98/28/49/635982849.db2.gz KIMJWUGWCMNIGB-UHFFFAOYSA-N 0 0 296.779 2.751 20 10 CFCDRN Cc1ncc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547796 635983215 /nfs/dbraw/zinc/98/32/15/635983215.db2.gz UJYGSCVSMDPDEV-UHFFFAOYSA-N 0 0 282.752 2.741 20 10 CFCDRN CCc1ocnc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547676 635983425 /nfs/dbraw/zinc/98/34/25/635983425.db2.gz PLHXMYWTSSZATL-UHFFFAOYSA-N 0 0 280.711 2.526 20 10 CFCDRN CCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115645051 636029673 /nfs/dbraw/zinc/02/96/73/636029673.db2.gz PDFJFIPPCXNLOQ-UHFFFAOYSA-N 0 0 263.385 2.660 20 10 CFCDRN O=C(CSc1nccs1)NCc1ccc(F)cc1 ZINC000047241441 650229022 /nfs/dbraw/zinc/22/90/22/650229022.db2.gz SYCHVZZJIZGRCE-UHFFFAOYSA-N 0 0 282.365 2.691 20 10 CFCDRN CCONC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000858099048 636125149 /nfs/dbraw/zinc/12/51/49/636125149.db2.gz ULTJKRVDZYBZRN-UHFFFAOYSA-N 0 0 287.363 2.845 20 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637483562 /nfs/dbraw/zinc/48/35/62/637483562.db2.gz YYNJZXXACIMTAG-UHFFFAOYSA-N 0 0 274.320 2.742 20 10 CFCDRN C/C=C\CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000863118782 637563595 /nfs/dbraw/zinc/56/35/95/637563595.db2.gz DVCDINAFPPVXSX-PLNGDYQASA-N 0 0 269.348 2.795 20 10 CFCDRN C[C@]1(CNC(=O)C2=CC(=O)CS2)C[C@H]2C[C@H]2C1 ZINC000863121925 637564499 /nfs/dbraw/zinc/56/44/99/637564499.db2.gz XFDKPAMNFRUMOD-WOFXILAISA-N 0 0 251.351 2.620 20 10 CFCDRN CO[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165165 637577966 /nfs/dbraw/zinc/57/79/66/637577966.db2.gz LYCAJLQUSJOQKR-AWEZNQCLSA-N 0 0 286.375 2.745 20 10 CFCDRN c1cc(N2CCCC2)ccc1OCCOC1CCOCC1 ZINC000863460027 637666297 /nfs/dbraw/zinc/66/62/97/637666297.db2.gz WSAMKYQLGSIGAB-UHFFFAOYSA-N 0 0 291.391 2.861 20 10 CFCDRN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000863542934 637689313 /nfs/dbraw/zinc/68/93/13/637689313.db2.gz UXUWEBBYHMSPQQ-RNCFNFMXSA-N 0 0 282.334 2.606 20 10 CFCDRN CN(Cc1nnc(C2CC2)n1C1CC1)c1ccc(N)cc1 ZINC000863558722 637696109 /nfs/dbraw/zinc/69/61/09/637696109.db2.gz USBRKHLVOAHZSV-UHFFFAOYSA-N 0 0 283.379 2.709 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32C)c(O)c1O ZINC000863588406 637704625 /nfs/dbraw/zinc/70/46/25/637704625.db2.gz OTJXRDPGVKLYGR-ZBEGNZNMSA-N 0 0 275.348 2.811 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ncccc1C(F)(F)F ZINC000119540436 637706304 /nfs/dbraw/zinc/70/63/04/637706304.db2.gz MNMYEPSLCRCRFO-QPJJXVBHSA-N 0 0 290.291 2.589 20 10 CFCDRN CN(C)c1ccc(CNc2cccc(-n3nccn3)c2)cc1 ZINC000864033071 637838120 /nfs/dbraw/zinc/83/81/20/637838120.db2.gz MWGFNEQJDHIRHW-UHFFFAOYSA-N 0 0 293.374 2.945 20 10 CFCDRN Cc1ccc(O)c(CNc2cccc(-n3nccn3)c2)c1 ZINC000864044146 637839296 /nfs/dbraw/zinc/83/92/96/637839296.db2.gz TYIMSJLLJLMVKG-UHFFFAOYSA-N 0 0 280.331 2.893 20 10 CFCDRN Oc1ccc(F)cc1CNc1cccc(-n2nccn2)c1 ZINC000864043347 637839838 /nfs/dbraw/zinc/83/98/38/637839838.db2.gz JDVAKABXWUYXGB-UHFFFAOYSA-N 0 0 284.294 2.724 20 10 CFCDRN Cc1cc(O)c(CN2Cc3cnn(C)c3C2)c(Cl)c1 ZINC000864049028 637842895 /nfs/dbraw/zinc/84/28/95/637842895.db2.gz BRIBRRYHOQITSC-UHFFFAOYSA-N 0 0 277.755 2.603 20 10 CFCDRN C[C@H](CO)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050122 637843620 /nfs/dbraw/zinc/84/36/20/637843620.db2.gz VNUYCLCDAYMRTJ-SNVBAGLBSA-N 0 0 285.334 2.511 20 10 CFCDRN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000864054461 637848092 /nfs/dbraw/zinc/84/80/92/637848092.db2.gz ZJGAANVMSVZELE-VXGBXAGGSA-N 0 0 285.334 2.700 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(F)nc1 ZINC000189278319 650371568 /nfs/dbraw/zinc/37/15/68/650371568.db2.gz GUCRMYHLXUUULX-UHFFFAOYSA-N 0 0 258.296 2.792 20 10 CFCDRN CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000864404638 637963801 /nfs/dbraw/zinc/96/38/01/637963801.db2.gz JNWJFLPKSPTTHK-UHFFFAOYSA-N 0 0 257.337 2.523 20 10 CFCDRN O=C(NCCc1cccs1)N1Cc2cccc(O)c2C1 ZINC000864415460 637969522 /nfs/dbraw/zinc/96/95/22/637969522.db2.gz MPFNNWLOZYXZJL-UHFFFAOYSA-N 0 0 288.372 2.722 20 10 CFCDRN C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000864468560 637994453 /nfs/dbraw/zinc/99/44/53/637994453.db2.gz KXWRRNKHIABJCO-LHLIQPBNSA-N 0 0 288.178 2.721 20 10 CFCDRN CC(=O)c1ccc(N(C)Cc2ccccc2O)nc1 ZINC000189999076 650406072 /nfs/dbraw/zinc/40/60/72/650406072.db2.gz CNIDMYCVVHJVEV-UHFFFAOYSA-N 0 0 256.305 2.626 20 10 CFCDRN CCN(CC)c1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000076844929 650406790 /nfs/dbraw/zinc/40/67/90/650406790.db2.gz OGHCQJVDECKMJZ-UHFFFAOYSA-N 0 0 296.378 2.811 20 10 CFCDRN CCCNc1cc(NCc2ccccc2O)ncn1 ZINC000865486628 638372961 /nfs/dbraw/zinc/37/29/61/638372961.db2.gz CBLJUKJKAZDGFL-UHFFFAOYSA-N 0 0 258.325 2.616 20 10 CFCDRN Oc1ccc2c(c1CNc1ccc(F)nn1)CCCC2 ZINC000865562844 638425079 /nfs/dbraw/zinc/42/50/79/638425079.db2.gz RLSLPGAEGPRAJW-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@]23C[C@@H]2CCCC3)c1 ZINC000865703720 638525906 /nfs/dbraw/zinc/52/59/06/638525906.db2.gz LQPSGIKEVFODTA-FZMZJTMJSA-N 0 0 262.309 2.723 20 10 CFCDRN CCOc1ccc(C[NH2+]CCC(C)(C)OC)c(O)c1 ZINC000865755650 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CCc1nn(C)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124866215 642348202 /nfs/dbraw/zinc/34/82/02/642348202.db2.gz BGOURHAFJRQTBZ-UHFFFAOYSA-N 0 0 279.771 2.631 20 10 CFCDRN CC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874263039 642361620 /nfs/dbraw/zinc/36/16/20/642361620.db2.gz QOTZOXYJKOSPLD-VIFPVBQESA-N 0 0 262.313 2.720 20 10 CFCDRN COc1ccccc1CCC(=O)Nc1ccc(N)cc1 ZINC000195308795 650745886 /nfs/dbraw/zinc/74/58/86/650745886.db2.gz SAYAZMGWNXDBSS-UHFFFAOYSA-N 0 0 270.332 2.849 20 10 CFCDRN C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(N)cc2)C1 ZINC000020508400 642419656 /nfs/dbraw/zinc/41/96/56/642419656.db2.gz UKGPLFKHTBGONY-FZMZJTMJSA-N 0 0 262.353 2.803 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875148027 642590955 /nfs/dbraw/zinc/59/09/55/642590955.db2.gz OBKMLOXDKMAHOS-WDEREUQCSA-N 0 0 262.353 2.852 20 10 CFCDRN C[C@H](O)CC(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000875312711 642605774 /nfs/dbraw/zinc/60/57/74/642605774.db2.gz XVTKETLBODYLNV-RYUDHWBXSA-N 0 0 294.395 2.550 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875367485 642613922 /nfs/dbraw/zinc/61/39/22/642613922.db2.gz OZOASMIHYDFYGQ-SMDDNHRTSA-N 0 0 274.364 2.996 20 10 CFCDRN CC1(C)CC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875582289 642645566 /nfs/dbraw/zinc/64/55/66/642645566.db2.gz CNCFOBZVZYMTSK-CYBMUJFWSA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H](C)c1ccccn1)c1ccccc1O ZINC000875710857 642672973 /nfs/dbraw/zinc/67/29/73/642672973.db2.gz RREYFQCENZWMSE-QWHCGFSZSA-N 0 0 299.374 2.951 20 10 CFCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccn1 ZINC000875710858 642673096 /nfs/dbraw/zinc/67/30/96/642673096.db2.gz RREYFQCENZWMSE-STQMWFEESA-N 0 0 299.374 2.951 20 10 CFCDRN O=C(NCc1ccccc1O)c1c(F)cc(F)cc1F ZINC000125599045 642689621 /nfs/dbraw/zinc/68/96/21/642689621.db2.gz DBVDQIDKAZEGKA-UHFFFAOYSA-N 0 0 281.233 2.740 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)OC)cc1 ZINC000875929598 642718702 /nfs/dbraw/zinc/71/87/02/642718702.db2.gz BGTJBBAGZRUGNX-UHFFFAOYSA-N 0 0 250.342 2.731 20 10 CFCDRN CN(C)c1ccc(C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000086755659 650797622 /nfs/dbraw/zinc/79/76/22/650797622.db2.gz PXJDJSCVOFXZKD-UHFFFAOYSA-N 0 0 290.407 2.829 20 10 CFCDRN CC(C)(C)c1nc(C(=O)Nc2ccc(N)cc2)co1 ZINC000876504072 642896369 /nfs/dbraw/zinc/89/63/69/642896369.db2.gz ITUOSOYARJFWGR-UHFFFAOYSA-N 0 0 259.309 2.807 20 10 CFCDRN CCO[C@H](C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000876528619 642905902 /nfs/dbraw/zinc/90/59/02/642905902.db2.gz SSHWUNDYFGCLDG-INIZCTEOSA-N 0 0 290.407 2.523 20 10 CFCDRN CC[NH+](CC)C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876771726 643004065 /nfs/dbraw/zinc/00/40/65/643004065.db2.gz XKOPQQJYJPSWAK-GFCCVEGCSA-N 0 0 298.377 2.834 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc(F)c1F ZINC000876783177 643007277 /nfs/dbraw/zinc/00/72/77/643007277.db2.gz WDQZGRSQRCCTNO-JQWIXIFHSA-N 0 0 283.318 2.529 20 10 CFCDRN Cc1cccc(O)c1CN[C@@H](C)C(=O)OC(C)(C)C ZINC000876879942 643047455 /nfs/dbraw/zinc/04/74/55/643047455.db2.gz XJHQUYKHMNTWFQ-NSHDSACASA-N 0 0 265.353 2.520 20 10 CFCDRN [O-]c1c(C[NH2+]CCCOCC(F)(F)F)ccc(F)c1F ZINC000876927352 643067459 /nfs/dbraw/zinc/06/74/59/643067459.db2.gz ZNQLFSVJVLTPNL-UHFFFAOYSA-N 0 0 299.239 2.729 20 10 CFCDRN O=C(Nc1ccc(OC(F)F)cc1)c1cccc(O)c1O ZINC000126243954 643076740 /nfs/dbraw/zinc/07/67/40/643076740.db2.gz LUFXJJIIYFGKFH-UHFFFAOYSA-N 0 0 295.241 2.952 20 10 CFCDRN O=C(NCCc1ccc(Cl)cc1)c1cccc(O)c1O ZINC000126278931 643089272 /nfs/dbraw/zinc/08/92/72/643089272.db2.gz YFXAKORZQOFZBZ-UHFFFAOYSA-N 0 0 291.734 2.724 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H](O)C2CCCCC2)ccc(F)c1F ZINC000877006241 643101623 /nfs/dbraw/zinc/10/16/23/643101623.db2.gz YUXLWMLHOAZLEK-ZDUSSCGKSA-N 0 0 285.334 2.701 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877029828 643110195 /nfs/dbraw/zinc/11/01/95/643110195.db2.gz OZDLBKQDESBEQT-LKFCYVNXSA-N 0 0 273.323 2.557 20 10 CFCDRN CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000877067512 643132614 /nfs/dbraw/zinc/13/26/14/643132614.db2.gz JHJPAZKKXQPICY-LLVKDONJSA-N 0 0 273.323 2.821 20 10 CFCDRN Cc1nn(C(C)C)cc1C(=O)N(C)c1ccc(N)cc1 ZINC000877074958 643137319 /nfs/dbraw/zinc/13/73/19/643137319.db2.gz WHTGLZSYNFLNQF-UHFFFAOYSA-N 0 0 272.352 2.631 20 10 CFCDRN CC[C@H](OC1CCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078137 643139235 /nfs/dbraw/zinc/13/92/35/643139235.db2.gz FBDOQYWBUINFOF-HNNXBMFYSA-N 0 0 276.380 2.969 20 10 CFCDRN CCc1noc(CC)c1CC(=O)N(C)c1ccc(N)cc1 ZINC000877077515 643139365 /nfs/dbraw/zinc/13/93/65/643139365.db2.gz LEVYLKYHLAYRGD-UHFFFAOYSA-N 0 0 287.363 2.587 20 10 CFCDRN Cc1cc(C(=O)N(C)c2ccc(N)cc2)nn1C(C)(C)C ZINC000877078383 643139567 /nfs/dbraw/zinc/13/95/67/643139567.db2.gz ODJNWUMKAYJPOS-UHFFFAOYSA-N 0 0 286.379 2.805 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc(F)c1F ZINC000877083569 643142569 /nfs/dbraw/zinc/14/25/69/643142569.db2.gz AEZUXIWRXAKMKW-UHTWSYAYSA-N 0 0 283.318 2.718 20 10 CFCDRN COCCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000877086551 643144477 /nfs/dbraw/zinc/14/44/77/643144477.db2.gz ZYXIPRJVRYGNMO-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc(F)c1F ZINC000877125787 643164151 /nfs/dbraw/zinc/16/41/51/643164151.db2.gz ACGSIJGBOLIMIT-VQISRLSMSA-N 0 0 295.329 2.718 20 10 CFCDRN CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877125866 643165235 /nfs/dbraw/zinc/16/52/35/643165235.db2.gz CBUPCWKQPBJMNR-MRVPVSSYSA-N 0 0 296.321 2.763 20 10 CFCDRN Cc1ccc(CNc2cnc3c(c2)COCC3)c(O)c1 ZINC000877141627 643175130 /nfs/dbraw/zinc/17/51/30/643175130.db2.gz BLZRGVDPTXELPH-UHFFFAOYSA-N 0 0 270.332 2.780 20 10 CFCDRN COc1ccc(N(C)C[C@H](OC)C2CCOCC2)cc1F ZINC000877181820 643192677 /nfs/dbraw/zinc/19/26/77/643192677.db2.gz QNZIRLBPUOLWLX-INIZCTEOSA-N 0 0 297.370 2.712 20 10 CFCDRN CCC1(CC)C[N@H+](Cc2ccc(C)cc2O)CC[S@@]1=O ZINC000877399676 643259638 /nfs/dbraw/zinc/25/96/38/643259638.db2.gz PEKBNXKNCSZFET-FQEVSTJZSA-N 0 0 295.448 2.824 20 10 CFCDRN CSCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877501526 643312776 /nfs/dbraw/zinc/31/27/76/643312776.db2.gz PYSRPARMJOSOJD-UHFFFAOYSA-N 0 0 261.337 2.855 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877506655 643316747 /nfs/dbraw/zinc/31/67/47/643316747.db2.gz BCILPBSHJHRFGC-OLZOCXBDSA-N 0 0 283.318 2.814 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877506657 643317184 /nfs/dbraw/zinc/31/71/84/643317184.db2.gz BCILPBSHJHRFGC-STQMWFEESA-N 0 0 283.318 2.814 20 10 CFCDRN Cc1ccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c(O)c1 ZINC000877520293 643324538 /nfs/dbraw/zinc/32/45/38/643324538.db2.gz SBJSPCYSDZMBAL-CYBMUJFWSA-N 0 0 299.296 2.827 20 10 CFCDRN CCCC[N@H+](CCCO)Cc1ccc(F)c(F)c1[O-] ZINC000877528151 643331974 /nfs/dbraw/zinc/33/19/74/643331974.db2.gz UPWPXLXYYAWHER-UHFFFAOYSA-N 0 0 273.323 2.655 20 10 CFCDRN CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(CO)CCC1 ZINC000877544231 643346720 /nfs/dbraw/zinc/34/67/20/643346720.db2.gz TVJJBJZPIAKPPO-HNNXBMFYSA-N 0 0 299.361 2.947 20 10 CFCDRN Cc1cccc(O)c1CN(C)Cc1nncn1C(C)C ZINC000877548278 643349770 /nfs/dbraw/zinc/34/97/70/643349770.db2.gz USEXYGCQYXTAAY-UHFFFAOYSA-N 0 0 274.368 2.505 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H](CO)C2CCCCC2)ccc(F)c1F ZINC000877551979 643352307 /nfs/dbraw/zinc/35/23/07/643352307.db2.gz GEOGKPKZIIMYNF-ZDUSSCGKSA-N 0 0 299.361 2.949 20 10 CFCDRN CCC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCN(C)C1 ZINC000877604603 643392480 /nfs/dbraw/zinc/39/24/80/643392480.db2.gz DBFQOHJWONIWET-GFCCVEGCSA-N 0 0 284.350 2.587 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000877663980 643441641 /nfs/dbraw/zinc/44/16/41/643441641.db2.gz JCZMJKHUUMQRPO-GFCCVEGCSA-N 0 0 292.335 2.731 20 10 CFCDRN CC[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877691723 643457888 /nfs/dbraw/zinc/45/78/88/643457888.db2.gz UNGFTVATXVHKEM-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN COc1c([O-])c(C[NH+]2CCC(C)(F)CC2)ccc1[N+](=O)[O-] ZINC000877700976 643463165 /nfs/dbraw/zinc/46/31/65/643463165.db2.gz XPDYUDHTCDNZOQ-UHFFFAOYSA-N 0 0 298.314 2.633 20 10 CFCDRN CCOC(=O)c1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000877702941 643468559 /nfs/dbraw/zinc/46/85/59/643468559.db2.gz KYVJDHWJMVBZQE-UHFFFAOYSA-N 0 0 287.315 2.678 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CN2CCC1CC2 ZINC000877706514 643474084 /nfs/dbraw/zinc/47/40/84/643474084.db2.gz NGYJXVUIRBVTKL-CQSZACIVSA-N 0 0 298.789 2.711 20 10 CFCDRN CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000089446451 650843185 /nfs/dbraw/zinc/84/31/85/650843185.db2.gz WHHBWUWJIFGDLI-HOCLYGCPSA-N 0 0 290.407 2.733 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@H]21 ZINC000877741042 643511170 /nfs/dbraw/zinc/51/11/70/643511170.db2.gz MGEHJIJPRHYAHV-GXFFZTMASA-N 0 0 298.789 2.711 20 10 CFCDRN CC1(C)C[C@H](O)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877751329 643527438 /nfs/dbraw/zinc/52/74/38/643527438.db2.gz BNNNBISUTZJBQI-NSHDSACASA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000877778596 643554382 /nfs/dbraw/zinc/55/43/82/643554382.db2.gz RZXWBUURMJZYHH-WPRPVWTQSA-N 0 0 275.751 2.824 20 10 CFCDRN Cc1coc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000877977205 643675282 /nfs/dbraw/zinc/67/52/82/643675282.db2.gz VUVOOFXIFAOUDO-UHFFFAOYSA-N 0 0 272.348 2.926 20 10 CFCDRN COc1cc(N(C)C[C@H]2CCO[C@@H]2C)cc(OC)c1OC ZINC000878128545 643751243 /nfs/dbraw/zinc/75/12/43/643751243.db2.gz FRFRDYKZILAXQO-VXGBXAGGSA-N 0 0 295.379 2.574 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCc2ncnn21 ZINC000878328757 643842740 /nfs/dbraw/zinc/84/27/40/643842740.db2.gz FXILBJTVRFIMKH-CQSZACIVSA-N 0 0 298.390 2.617 20 10 CFCDRN O=C(NCc1ccccc1O)c1c[nH]cc1C1CC1 ZINC000878559838 643941143 /nfs/dbraw/zinc/94/11/43/643941143.db2.gz UGIMYMCBMXPHLK-UHFFFAOYSA-N 0 0 256.305 2.528 20 10 CFCDRN C[C@@H](NC(=O)Nc1cnc(C2CC2)nc1)c1ccccc1O ZINC000878601485 643953085 /nfs/dbraw/zinc/95/30/85/643953085.db2.gz RBOQDFYZMNVJOF-SNVBAGLBSA-N 0 0 298.346 2.942 20 10 CFCDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCO[C@@H]1C)CCC2 ZINC000878710060 644000966 /nfs/dbraw/zinc/00/09/66/644000966.db2.gz AXXWSKTVBXEZPI-TZMCWYRMSA-N 0 0 291.391 2.881 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2CC(F)F)cc1 ZINC000878801818 644031021 /nfs/dbraw/zinc/03/10/21/644031021.db2.gz PPLAMDLSAPHBLH-UHFFFAOYSA-N 0 0 281.306 2.793 20 10 CFCDRN COc1ccc(N(C)CCCS(=O)(=O)C(C)(C)C)cc1 ZINC000878801238 644031541 /nfs/dbraw/zinc/03/15/41/644031541.db2.gz IIGLMYMNZMJENZ-UHFFFAOYSA-N 0 0 299.436 2.735 20 10 CFCDRN CCC[C@H](N[C@H](C)c1ccccc1O)C(=O)OCC ZINC000879648324 644362025 /nfs/dbraw/zinc/36/20/25/644362025.db2.gz JYECKJBTHOUCDR-YPMHNXCESA-N 0 0 265.353 2.775 20 10 CFCDRN CC(=O)Nc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000879651880 644364329 /nfs/dbraw/zinc/36/43/29/644364329.db2.gz NYJAFKBFUNTZGA-VIFPVBQESA-N 0 0 291.376 2.658 20 10 CFCDRN CCCCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1O ZINC000879651088 644364831 /nfs/dbraw/zinc/36/48/31/644364831.db2.gz HQIFFLKNPRLWEF-RYUDHWBXSA-N 0 0 265.353 2.775 20 10 CFCDRN CCCCc1nc(CN[C@@H](C)c2ccccc2O)no1 ZINC000879651837 644365070 /nfs/dbraw/zinc/36/50/70/644365070.db2.gz MDPYDHJMHPKAEF-NSHDSACASA-N 0 0 275.352 2.969 20 10 CFCDRN C[C@H](NCc1nnc(C(C)(C)C)o1)c1ccccc1O ZINC000879652068 644366118 /nfs/dbraw/zinc/36/61/18/644366118.db2.gz AFAXBDKJZYJFGV-JTQLQIEISA-N 0 0 275.352 2.924 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc3c(c2)oc(=O)n3C)c1 ZINC000127939626 644381090 /nfs/dbraw/zinc/38/10/90/644381090.db2.gz YPABUOYPYMDKBT-UHFFFAOYSA-N 0 0 284.315 2.758 20 10 CFCDRN C[C@H](NC(=O)C1(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000128125419 644496009 /nfs/dbraw/zinc/49/60/09/644496009.db2.gz HJANOWPVJDTXIS-ZDUSSCGKSA-N 0 0 288.391 2.501 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1ccc(N(C)C)cc1 ZINC000128246310 644564491 /nfs/dbraw/zinc/56/44/91/644564491.db2.gz UZCSSKDPSHLSNS-UHFFFAOYSA-N 0 0 278.396 2.528 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)c(O)c1O ZINC000248408211 650932189 /nfs/dbraw/zinc/93/21/89/650932189.db2.gz DXQPZRBZWLWGIF-HOMQSWHASA-N 0 0 263.337 2.715 20 10 CFCDRN CCC[C@@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881204397 644927912 /nfs/dbraw/zinc/92/79/12/644927912.db2.gz ITDDPCUYHDEJFS-LLVKDONJSA-N 0 0 260.341 2.800 20 10 CFCDRN Cc1noc(C)c1-c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881271162 644940587 /nfs/dbraw/zinc/94/05/87/644940587.db2.gz INYDXLVRQQNPIC-UHFFFAOYSA-N 0 0 297.362 2.664 20 10 CFCDRN C[C@H](NC(=O)N[C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000881280764 644942468 /nfs/dbraw/zinc/94/24/68/644942468.db2.gz RSMWJKPOQHNFOW-UWVGGRQHSA-N 0 0 285.338 2.766 20 10 CFCDRN CC(C)(C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881294300 644944339 /nfs/dbraw/zinc/94/43/39/644944339.db2.gz YQCMFHHCXUIFEO-UHFFFAOYSA-N 0 0 274.368 2.876 20 10 CFCDRN C[C@H](CC1CCC1)NC(=O)c1c(F)ccc(O)c1O ZINC000881369640 644963454 /nfs/dbraw/zinc/96/34/54/644963454.db2.gz KDAJINNGFDXGMS-MRVPVSSYSA-N 0 0 267.300 2.545 20 10 CFCDRN CC1(C)CC[C@H](CC(=O)N2Cc3cccc(O)c3C2)OC1 ZINC000881429193 644972136 /nfs/dbraw/zinc/97/21/36/644972136.db2.gz SZXCWPCOBLONQY-CYBMUJFWSA-N 0 0 289.375 2.830 20 10 CFCDRN Cc1nc(C(C)C)ncc1C(=O)N1Cc2cccc(O)c2C1 ZINC000881428508 644972165 /nfs/dbraw/zinc/97/21/65/644972165.db2.gz GWNDVXFWWIHAIM-UHFFFAOYSA-N 0 0 297.358 2.770 20 10 CFCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C(C)(F)F ZINC000881437064 644974791 /nfs/dbraw/zinc/97/47/91/644974791.db2.gz KJNBXPQTSFJLRP-UHFFFAOYSA-N 0 0 291.269 2.648 20 10 CFCDRN CC(C)(CNC(=O)c1cccc(O)c1O)CC(F)F ZINC000881539248 645031879 /nfs/dbraw/zinc/03/18/79/645031879.db2.gz NWLIZLQPPMYTNJ-UHFFFAOYSA-N 0 0 273.279 2.509 20 10 CFCDRN COc1ccc(N2CCCN(c3ncncc3C)CC2)cc1 ZINC000881833155 645137070 /nfs/dbraw/zinc/13/70/70/645137070.db2.gz YVYSPAWGTVTFJL-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN Cc1cnc(C)c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000882170914 645228999 /nfs/dbraw/zinc/22/89/99/645228999.db2.gz HSZFUTYZESBNAL-SECBINFHSA-N 0 0 273.336 2.548 20 10 CFCDRN C[C@H](Nc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000882202411 645242734 /nfs/dbraw/zinc/24/27/34/645242734.db2.gz CLUUVSFQDPBXPU-NSHDSACASA-N 0 0 259.328 2.882 20 10 CFCDRN CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000882879558 645488599 /nfs/dbraw/zinc/48/85/99/645488599.db2.gz BXDFYRJBOLOORK-CYBMUJFWSA-N 0 0 296.317 2.656 20 10 CFCDRN Cc1nnc(CSc2nccs2)n1C1CC1 ZINC000130654338 645544043 /nfs/dbraw/zinc/54/40/43/645544043.db2.gz XJHQOACLLAGFHJ-UHFFFAOYSA-N 0 0 252.368 2.670 20 10 CFCDRN CC(C)C[C@H](CCO)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026054 645568638 /nfs/dbraw/zinc/56/86/38/645568638.db2.gz HCDBDQKNGXXTRM-NSHDSACASA-N 0 0 287.350 2.805 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000883028285 645569128 /nfs/dbraw/zinc/56/91/28/645569128.db2.gz FRWPWYVKUDJPAH-CYBMUJFWSA-N 0 0 293.313 2.536 20 10 CFCDRN Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026965 645569613 /nfs/dbraw/zinc/56/96/13/645569613.db2.gz KYNJJTCMFMXTFY-OAHLLOKOSA-N 0 0 293.313 2.802 20 10 CFCDRN C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883041408 645577859 /nfs/dbraw/zinc/57/78/59/645577859.db2.gz LMOOVXOACIAYTE-VHSXEESVSA-N 0 0 271.307 2.575 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@H]2C=CCC2)cc1 ZINC000883077461 645594791 /nfs/dbraw/zinc/59/47/91/645594791.db2.gz KZSPDALYFDRULN-ZDUSSCGKSA-N 0 0 273.380 2.518 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])c2nccn21 ZINC000883135902 645621126 /nfs/dbraw/zinc/62/11/26/645621126.db2.gz PLJSQQOMDXILIR-UFBFGSQYSA-N 0 0 279.290 2.663 20 10 CFCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883140194 645623171 /nfs/dbraw/zinc/62/31/71/645623171.db2.gz LXYGZRDFPVJRBD-CHWSQXEVSA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1nc2ccc(NCc3ccc(N(C)C)c(F)c3)cn2n1 ZINC000883154368 645629954 /nfs/dbraw/zinc/62/99/54/645629954.db2.gz GXFYUTNKZHEXCY-UHFFFAOYSA-N 0 0 299.353 2.855 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000883198011 645657888 /nfs/dbraw/zinc/65/78/88/645657888.db2.gz XZISKQUNXQEVQK-LBPRGKRZSA-N 0 0 297.345 2.967 20 10 CFCDRN Cc1c(NCc2ccc(N3CCCCC3)cc2)nnn1C ZINC000883231744 645680976 /nfs/dbraw/zinc/68/09/76/645680976.db2.gz RCPXPFKIYVJVDO-UHFFFAOYSA-N 0 0 285.395 2.726 20 10 CFCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000131318722 645696684 /nfs/dbraw/zinc/69/66/84/645696684.db2.gz GXYRJOLGPDVTOW-RYUDHWBXSA-N 0 0 293.386 2.974 20 10 CFCDRN O=c1ccnc(C=Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000131725954 645799752 /nfs/dbraw/zinc/79/97/52/645799752.db2.gz YVKPDDUBAIJOLP-RMKNXTFCSA-N 0 0 281.359 2.931 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C=CCC1 ZINC000883444537 645834801 /nfs/dbraw/zinc/83/48/01/645834801.db2.gz ZJLJGIKKDZTWJZ-OAHLLOKOSA-N 0 0 297.402 2.828 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582683 645897938 /nfs/dbraw/zinc/89/79/38/645897938.db2.gz ZQMLELXTQYDNHQ-QWHCGFSZSA-N 0 0 293.386 2.815 20 10 CFCDRN CC1(C)CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132300694 645904471 /nfs/dbraw/zinc/90/44/71/645904471.db2.gz JDTGPINCZWDUCA-UHFFFAOYSA-N 0 0 255.745 2.656 20 10 CFCDRN CCOCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132762566 645963866 /nfs/dbraw/zinc/96/38/66/645963866.db2.gz DLAAXKZEGVGIBC-UHFFFAOYSA-N 0 0 288.185 2.623 20 10 CFCDRN Oc1ccccc1CNc1cnc2ccccc2n1 ZINC000133738123 646219103 /nfs/dbraw/zinc/21/91/03/646219103.db2.gz KOAMNRIBSNGIRM-UHFFFAOYSA-N 0 0 251.289 2.948 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2c(c1)CCC2 ZINC000133775234 646226128 /nfs/dbraw/zinc/22/61/28/646226128.db2.gz YKXPSXTUIVVSOX-UHFFFAOYSA-N 0 0 267.328 2.811 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccccc2O)c1C ZINC000133782755 646227655 /nfs/dbraw/zinc/22/76/55/646227655.db2.gz IESHKGOOZFOROV-UHFFFAOYSA-N 0 0 255.317 2.939 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)ncn2C ZINC000134202523 646304226 /nfs/dbraw/zinc/30/42/26/646304226.db2.gz AVMULLQHCFSBID-UHFFFAOYSA-N 0 0 295.342 2.551 20 10 CFCDRN COC[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000134747788 646382319 /nfs/dbraw/zinc/38/23/19/646382319.db2.gz VHPJCCNLGWRVMT-VIFPVBQESA-N 0 0 288.185 2.588 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3ncc(C)o3)C2)cc1 ZINC000884552050 646444535 /nfs/dbraw/zinc/44/45/35/646444535.db2.gz PVSNZRGWDGWVBS-GFCCVEGCSA-N 0 0 273.336 2.682 20 10 CFCDRN CCCC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)OC ZINC000135198662 646489378 /nfs/dbraw/zinc/48/93/78/646489378.db2.gz BRWQQQNGOHBRHC-CQSZACIVSA-N 0 0 279.380 2.825 20 10 CFCDRN CC[C@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000216003768 646504463 /nfs/dbraw/zinc/50/44/63/646504463.db2.gz RHWPIYHQIYWFRN-STUBTGCMSA-N 0 0 250.294 2.700 20 10 CFCDRN O=C(N[C@@H]1CCCc2cccnc21)C1=CC(=O)CS1 ZINC000885362347 646672058 /nfs/dbraw/zinc/67/20/58/646672058.db2.gz UQEXBXOZPZGAPO-LLVKDONJSA-N 0 0 274.345 2.656 20 10 CFCDRN COc1cccc(CNc2cccc(CCCO)c2)c1O ZINC000136224386 646752328 /nfs/dbraw/zinc/75/23/28/646752328.db2.gz GLKIQLMCAHFOLI-UHFFFAOYSA-N 0 0 287.359 2.938 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1F ZINC000886040411 646836155 /nfs/dbraw/zinc/83/61/55/646836155.db2.gz YCSLLXYTBVDRFN-IAQYHMDHSA-N 0 0 265.328 2.697 20 10 CFCDRN CCN(C[C@@H]1C[C@@]12CCOC2)c1ccc(OC)c(OC)c1 ZINC000886052669 646844271 /nfs/dbraw/zinc/84/42/71/646844271.db2.gz VVQKASRGEZZHPO-SUMWQHHRSA-N 0 0 291.391 2.957 20 10 CFCDRN C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1c([O-])cccc1F ZINC000886495264 647019258 /nfs/dbraw/zinc/01/92/58/647019258.db2.gz PPBONTCWZYULEX-NSHDSACASA-N 0 0 278.371 2.809 20 10 CFCDRN CCOCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886507249 647023315 /nfs/dbraw/zinc/02/33/15/647023315.db2.gz CFPVVWDHTWWIAY-NSHDSACASA-N 0 0 255.333 2.999 20 10 CFCDRN C[C@H]([NH2+]CCOCC(F)(F)F)c1c([O-])cccc1F ZINC000886514307 647025108 /nfs/dbraw/zinc/02/51/08/647025108.db2.gz MPNNBTYRNNYJGL-QMMMGPOBSA-N 0 0 281.249 2.761 20 10 CFCDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1c([O-])cccc1F ZINC000886520804 647027058 /nfs/dbraw/zinc/02/70/58/647027058.db2.gz MYFUHLOVRJJAJW-NSHDSACASA-N 0 0 267.344 2.877 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1c([O-])cccc1F ZINC000886526433 647029721 /nfs/dbraw/zinc/02/97/21/647029721.db2.gz MDKIGWDZEAFPST-HZMBPMFUSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886528203 647030794 /nfs/dbraw/zinc/03/07/94/647030794.db2.gz INBXJFQCGSGORO-JSGCOSHPSA-N 0 0 289.350 2.786 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886530930 647031841 /nfs/dbraw/zinc/03/18/41/647031841.db2.gz STICBSCEAGYEOJ-MFKMUULPSA-N 0 0 279.311 2.817 20 10 CFCDRN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530830 647031865 /nfs/dbraw/zinc/03/18/65/647031865.db2.gz RFXWXEUHRSVTOJ-DCAQKATOSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H](NCc1csc(N(C)C)n1)c1c(O)cccc1F ZINC000886534800 647033973 /nfs/dbraw/zinc/03/39/73/647033973.db2.gz OSFMTCYBSFDWSB-SECBINFHSA-N 0 0 295.383 2.905 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886534217 647034049 /nfs/dbraw/zinc/03/40/49/647034049.db2.gz DGUFMDFIAHBCGH-IJLUTSLNSA-N 0 0 269.360 2.979 20 10 CFCDRN CCC[C@H](CCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886534937 647034356 /nfs/dbraw/zinc/03/43/56/647034356.db2.gz RSAFCDAPZWALSM-NWDGAFQWSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1c([O-])cccc1F ZINC000886551191 647043940 /nfs/dbraw/zinc/04/39/40/647043940.db2.gz DCTVEOBZDRKIIT-JOYOIKCWSA-N 0 0 275.327 2.983 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1c([O-])cccc1F ZINC000886594257 647058516 /nfs/dbraw/zinc/05/85/16/647058516.db2.gz IVMMXYMRUBVRIE-GVXVVHGQSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1c([O-])cccc1F ZINC000886596910 647060179 /nfs/dbraw/zinc/06/01/79/647060179.db2.gz RMITTZDXNYGKIB-QWRGUYRKSA-N 0 0 251.301 2.875 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886603495 647063289 /nfs/dbraw/zinc/06/32/89/647063289.db2.gz PDVPPQGWZIUSJR-ZJUUUORDSA-N 0 0 255.358 2.935 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1c([O-])cccc1F ZINC000886608811 647065317 /nfs/dbraw/zinc/06/53/17/647065317.db2.gz GFVZPBMSOYHHGR-WCABBAIRSA-N 0 0 255.358 2.933 20 10 CFCDRN C[C@@H]([NH2+]CC1=CCCOC1)c1c([O-])cccc1F ZINC000886610556 647066098 /nfs/dbraw/zinc/06/60/98/647066098.db2.gz DZCDEGYQWOHQIV-SNVBAGLBSA-N 0 0 251.301 2.529 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1c([O-])cccc1F ZINC000886612414 647066637 /nfs/dbraw/zinc/06/66/37/647066637.db2.gz KTAMZGCWUFQODO-GXFFZTMASA-N 0 0 267.344 2.733 20 10 CFCDRN CCC[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886616002 647069126 /nfs/dbraw/zinc/06/91/26/647069126.db2.gz SKMBVIYIMWZASV-GHMZBOCLSA-N 0 0 255.333 2.997 20 10 CFCDRN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886620961 647072379 /nfs/dbraw/zinc/07/23/79/647072379.db2.gz XPRDBAVWPMDSMK-FTGAXOIBSA-N 0 0 267.344 2.995 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c([O-])cccc1F ZINC000886625354 647075313 /nfs/dbraw/zinc/07/53/13/647075313.db2.gz OILIOHHRLKXUBR-DDHJBXDOSA-N 0 0 267.344 2.995 20 10 CFCDRN COCC1(CC[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886629572 647077436 /nfs/dbraw/zinc/07/74/36/647077436.db2.gz IPGYHRRRHQLFTH-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886632804 647078912 /nfs/dbraw/zinc/07/89/12/647078912.db2.gz FUPHXUJJMSYWES-SNVBAGLBSA-N 0 0 253.317 2.609 20 10 CFCDRN CCCN1CC[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886637582 647081578 /nfs/dbraw/zinc/08/15/78/647081578.db2.gz AJIBLFCKGKZUHI-NWDGAFQWSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1c([O-])cccc1F ZINC000886639770 647082164 /nfs/dbraw/zinc/08/21/64/647082164.db2.gz LNSWDFZUEMTARW-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886641497 647083501 /nfs/dbraw/zinc/08/35/01/647083501.db2.gz KYHUSIUJLFWHOK-VXGBXAGGSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H](Nc1cnn(CCF)c1)c1c(O)cccc1F ZINC000886642064 647084148 /nfs/dbraw/zinc/08/41/48/647084148.db2.gz ZIMVXSMXZZRIRI-VIFPVBQESA-N 0 0 267.279 2.870 20 10 CFCDRN CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C1 ZINC000886643105 647084939 /nfs/dbraw/zinc/08/49/39/647084939.db2.gz LEYGICNWTOTSDJ-JQWIXIFHSA-N 0 0 293.338 2.834 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886650033 647088443 /nfs/dbraw/zinc/08/84/43/647088443.db2.gz NWBGHBICPLKBCY-GARJFASQSA-N 0 0 255.333 2.731 20 10 CFCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000886799957 647143469 /nfs/dbraw/zinc/14/34/69/647143469.db2.gz ZWHINSMUTFVYAE-ZWNOBZJWSA-N 0 0 290.329 2.717 20 10 CFCDRN CN1C(=O)/C(=C/c2cccc3c2CCOC3)SC1=S ZINC000887272342 647258226 /nfs/dbraw/zinc/25/82/26/647258226.db2.gz LPOJZOWOONZDTR-GHXNOFRVSA-N 0 0 291.397 2.590 20 10 CFCDRN [NH2+]=C(NCc1cc(Cl)cc(Cl)c1[O-])NCC(F)F ZINC000887359299 647281887 /nfs/dbraw/zinc/28/18/87/647281887.db2.gz NRXLZYFWXJLQDA-UHFFFAOYSA-N 0 0 298.120 2.578 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C2CC2)CC1 ZINC000889296284 647539437 /nfs/dbraw/zinc/53/94/37/647539437.db2.gz WFJPYPLDFIWPCV-UHFFFAOYSA-N 0 0 286.375 2.668 20 10 CFCDRN CCN1C(=O)/C(=C\c2cccc(O)c2OC)SC1=S ZINC000011284569 647881426 /nfs/dbraw/zinc/88/14/26/647881426.db2.gz QHDRHQPLLCXXQO-JXMROGBWSA-N 0 0 295.385 2.622 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925858678 648346639 /nfs/dbraw/zinc/34/66/39/648346639.db2.gz CSCCRCQJQHVBFZ-LDYMZIIASA-N 0 0 291.178 2.643 20 10 CFCDRN O=C(NC[C@]12C[C@H]1CCC2)N1Cc2cccc(O)c2C1 ZINC000927710517 648821165 /nfs/dbraw/zinc/82/11/65/648821165.db2.gz JKQXWHJGJARCSQ-WBMJQRKESA-N 0 0 272.348 2.608 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000927768502 648829298 /nfs/dbraw/zinc/82/92/98/648829298.db2.gz SEUUTILECWXGGZ-CQSZACIVSA-N 0 0 288.391 2.624 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928132189 648861454 /nfs/dbraw/zinc/86/14/54/648861454.db2.gz DWGURAYDAJTDKB-QMMMGPOBSA-N 0 0 297.323 2.574 20 10 CFCDRN CC1(C(=O)NCc2c(O)cccc2F)CCCC1 ZINC000928711156 648942293 /nfs/dbraw/zinc/94/22/93/648942293.db2.gz FTNBSTYNSCEZLD-UHFFFAOYSA-N 0 0 251.301 2.728 20 10 CFCDRN O=C(CC1CCSCC1)NCc1c(O)cccc1F ZINC000928704540 648944319 /nfs/dbraw/zinc/94/43/19/648944319.db2.gz BGJXTVQJHPTXCA-UHFFFAOYSA-N 0 0 283.368 2.681 20 10 CFCDRN C[C@H]1CC/C(=C/C(=O)NCc2c(O)cccc2F)C1 ZINC000928705495 648944851 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777943456 /nfs/dbraw/zinc/94/34/56/777943456.db2.gz DNUSQCQGKBSJII-UHFFFAOYSA-N 0 0 261.243 2.938 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418562 777943481 /nfs/dbraw/zinc/94/34/81/777943481.db2.gz LYMIBOLWDCEOKG-ZDUSSCGKSA-N 0 0 289.297 2.758 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2cncc(Cl)n2)cc1 ZINC001233451138 777957905 /nfs/dbraw/zinc/95/79/05/777957905.db2.gz YKSNTOCUHJDVAW-UHFFFAOYSA-N 0 0 290.798 2.828 20 10 CFCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(O)c(O)cc1O ZINC001233486579 777963255 /nfs/dbraw/zinc/96/32/55/777963255.db2.gz SUGCSCWAAGKUNW-UHFFFAOYSA-N 0 0 289.331 2.531 20 10 CFCDRN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)CCN2CC ZINC001233602402 778009119 /nfs/dbraw/zinc/00/91/19/778009119.db2.gz SQGIKYJNTXYEAL-LBPRGKRZSA-N 0 0 277.364 2.790 20 10 CFCDRN C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233728125 778056089 /nfs/dbraw/zinc/05/60/89/778056089.db2.gz SUQNZGWLRLBTJP-SECBINFHSA-N 0 0 291.269 2.512 20 10 CFCDRN OC[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993453 778347415 /nfs/dbraw/zinc/34/74/15/778347415.db2.gz CTVNXIFXJOWAGN-AWEZNQCLSA-N 0 0 283.371 2.873 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073823 778371499 /nfs/dbraw/zinc/37/14/99/778371499.db2.gz XOPRYHGFNJFGMA-VXGBXAGGSA-N 0 0 287.190 2.635 20 10 CFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1C[C@@H]1F ZINC001126784149 778394238 /nfs/dbraw/zinc/39/42/38/778394238.db2.gz ZFDQWTIZVAWKBV-MNOVXSKESA-N 0 0 296.305 2.693 20 10 CFCDRN C[C@]1(CF)CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508957 778395038 /nfs/dbraw/zinc/39/50/38/778395038.db2.gz QVGDXKZRICNQGS-CYBMUJFWSA-N 0 0 259.271 2.852 20 10 CFCDRN C[C@@]1(CF)CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508958 778395180 /nfs/dbraw/zinc/39/51/80/778395180.db2.gz QVGDXKZRICNQGS-ZDUSSCGKSA-N 0 0 259.271 2.852 20 10 CFCDRN [O-]c1c(F)ccc(F)c1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235167952 778401570 /nfs/dbraw/zinc/40/15/70/778401570.db2.gz PANABEZSYRCXPC-INIZCTEOSA-N 0 0 296.361 2.779 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142527448 778402530 /nfs/dbraw/zinc/40/25/30/778402530.db2.gz VAMDGLPHBOODOK-AWEZNQCLSA-N 0 0 271.307 2.527 20 10 CFCDRN Nc1ccc(N(CCO)c2ccc(N)c(Cl)c2)cc1 ZINC001212112510 778426497 /nfs/dbraw/zinc/42/64/97/778426497.db2.gz JONUXAIMQMAYNY-UHFFFAOYSA-N 0 0 277.755 2.635 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235302249 778450513 /nfs/dbraw/zinc/45/05/13/778450513.db2.gz HQBMRHQKYOPFQR-NEPJUHHUSA-N 0 0 287.190 2.635 20 10 CFCDRN CC(C)[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[NH2+]1 ZINC001235475870 778502865 /nfs/dbraw/zinc/50/28/65/778502865.db2.gz ZBZAMUQXZJHTTR-ZDUSSCGKSA-N 0 0 286.778 2.615 20 10 CFCDRN Nc1ccc(F)c(CN2CCc3cccc(O)c3C2)c1F ZINC001236073921 778680921 /nfs/dbraw/zinc/68/09/21/778680921.db2.gz YKRRYHJKYGVWMG-UHFFFAOYSA-N 0 0 290.313 2.811 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241979 778751663 /nfs/dbraw/zinc/75/16/63/778751663.db2.gz UQHQUOZMLIQCLK-ZDUSSCGKSA-N 0 0 298.789 2.901 20 10 CFCDRN Oc1ccc(F)cc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698222646 778766765 /nfs/dbraw/zinc/76/67/65/778766765.db2.gz WNIWDDDHSAQRLK-LLVKDONJSA-N 0 0 293.260 2.685 20 10 CFCDRN Oc1c(F)cc(F)cc1Nc1ccncc1Cl ZINC001212161874 778788026 /nfs/dbraw/zinc/78/80/26/778788026.db2.gz FZHMWZKRTJXIFJ-UHFFFAOYSA-N 0 0 256.639 2.884 20 10 CFCDRN CC(=O)Nc1ccc(O)c(Nc2ccncc2Cl)c1 ZINC001212162229 778788940 /nfs/dbraw/zinc/78/89/40/778788940.db2.gz NADCCSSFBBZORU-UHFFFAOYSA-N 0 0 277.711 2.565 20 10 CFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CC=CC2)c1 ZINC001236664960 778906753 /nfs/dbraw/zinc/90/67/53/778906753.db2.gz ZAFHKIUIWXHVOD-UHFFFAOYSA-N 0 0 268.154 2.835 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001236791744 778936878 /nfs/dbraw/zinc/93/68/78/778936878.db2.gz JQRUEHBCUZNCAT-HNNXBMFYSA-N 0 0 263.381 2.954 20 10 CFCDRN CCc1ccc(CN2CCc3oc(C)nc3C2)c(O)c1 ZINC001236788393 778937488 /nfs/dbraw/zinc/93/74/88/778937488.db2.gz MWJDHPKCNYNPLC-UHFFFAOYSA-N 0 0 272.348 2.809 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001236791481 778937640 /nfs/dbraw/zinc/93/76/40/778937640.db2.gz HRUWSEUAKIDKIQ-INIZCTEOSA-N 0 0 261.365 2.710 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC)C2)c(O)c1 ZINC001236791739 778937897 /nfs/dbraw/zinc/93/78/97/778937897.db2.gz JIKDNBDCBFIKRC-CQSZACIVSA-N 0 0 291.391 2.730 20 10 CFCDRN CCc1ccc(CN2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001236793592 778938521 /nfs/dbraw/zinc/93/85/21/778938521.db2.gz ZIABJCBCZDFEHU-ZDUSSCGKSA-N 0 0 289.297 2.718 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236792310 778939052 /nfs/dbraw/zinc/93/90/52/778939052.db2.gz OSDGQKFPHAXKEF-UHFFFAOYSA-N 0 0 279.380 2.730 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001236793451 778939633 /nfs/dbraw/zinc/93/96/33/778939633.db2.gz WRXFLSVEHCMXQR-OAHLLOKOSA-N 0 0 261.365 2.565 20 10 CFCDRN COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c(Cl)cc1O ZINC001236795492 778941170 /nfs/dbraw/zinc/94/11/70/778941170.db2.gz FHDYWYNDVOMEDE-SSDOTTSWSA-N 0 0 292.162 2.692 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC2(CCO2)C1 ZINC001236800662 778943746 /nfs/dbraw/zinc/94/37/46/778943746.db2.gz XKEKESKUXVZZFK-UHFFFAOYSA-N 0 0 274.147 2.674 20 10 CFCDRN COc1ccc(C[N@H+](C)C2CCOCC2)c([O-])c1Cl ZINC001236800584 778943837 /nfs/dbraw/zinc/94/38/37/778943837.db2.gz AQORUOWEXDQQKF-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN COC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236802399 778945051 /nfs/dbraw/zinc/94/50/51/778945051.db2.gz PJTNFSYXYFAFBG-NSHDSACASA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc(C[NH+]2CCC(OC)CC2)c([O-])c1Cl ZINC001236802432 778945790 /nfs/dbraw/zinc/94/57/90/778945790.db2.gz QDDKRRDROHWLEF-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc(C[N@H+]2CCC[C@H](OC)C2)c([O-])c1Cl ZINC001236802003 778945797 /nfs/dbraw/zinc/94/57/97/778945797.db2.gz MKJIPMKPRRMXTA-NSHDSACASA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCc3ccncc3C2)c(O)c1 ZINC001236810096 778948871 /nfs/dbraw/zinc/94/88/71/778948871.db2.gz BOYCBHCXQMWPBB-UHFFFAOYSA-N 0 0 284.359 2.663 20 10 CFCDRN COc1ccc(C[NH+]2CCC(C(C)=O)CC2)c([O-])c1Cl ZINC001236812505 778950634 /nfs/dbraw/zinc/95/06/34/778950634.db2.gz YDVMJSFUELHUSR-UHFFFAOYSA-N 0 0 297.782 2.855 20 10 CFCDRN CCOc1ccc(CN2Cc3ncsc3C2)c(O)c1 ZINC001237045992 778997154 /nfs/dbraw/zinc/99/71/54/778997154.db2.gz KTWUDMINDNILRL-UHFFFAOYSA-N 0 0 276.361 2.763 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001237049075 778999139 /nfs/dbraw/zinc/99/91/39/778999139.db2.gz CXZUMPUJRJZMNQ-QGZVFWFLSA-N 0 0 291.391 2.936 20 10 CFCDRN Oc1cc(OCC(F)(F)F)ccc1CN1CC(F)(F)C1 ZINC001237051592 779000181 /nfs/dbraw/zinc/00/01/81/779000181.db2.gz OUWSMAMDAJMUJN-UHFFFAOYSA-N 0 0 297.223 2.784 20 10 CFCDRN CCOc1ccc(CN2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001237049517 779000838 /nfs/dbraw/zinc/00/08/38/779000838.db2.gz HEKQKMROJDFZTH-ZDUSSCGKSA-N 0 0 289.297 2.970 20 10 CFCDRN CN(Cc1c(O)ccc(Cl)c1Cl)C1COC1 ZINC001237082475 779006178 /nfs/dbraw/zinc/00/61/78/779006178.db2.gz RZAFQKYFRJJMNS-UHFFFAOYSA-N 0 0 262.136 2.530 20 10 CFCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237125846 779018720 /nfs/dbraw/zinc/01/87/20/779018720.db2.gz GNRODHSFCCEJDZ-CQSZACIVSA-N 0 0 285.746 2.940 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCOCC12CC2 ZINC001237127810 779021202 /nfs/dbraw/zinc/02/12/02/779021202.db2.gz FXCJKCXCNKTDFE-UHFFFAOYSA-N 0 0 271.719 2.550 20 10 CFCDRN CC1(C)COCCN1Cc1c(O)ccc(F)c1Cl ZINC001237127202 779021438 /nfs/dbraw/zinc/02/14/38/779021438.db2.gz WINSLLJYTXKITB-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@]1(CO)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135666 779023163 /nfs/dbraw/zinc/02/31/63/779023163.db2.gz KLRNIOQCUGQBIB-CYBMUJFWSA-N 0 0 289.297 2.615 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(COC2)C1 ZINC001237135906 779023449 /nfs/dbraw/zinc/02/34/49/779023449.db2.gz NORIJUVPGIHOPZ-UHFFFAOYSA-N 0 0 287.281 2.633 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1CCn2ccnc2C1 ZINC001237135570 779023804 /nfs/dbraw/zinc/02/38/04/779023804.db2.gz JUHXBOZJOIXBSZ-UHFFFAOYSA-N 0 0 297.280 2.623 20 10 CFCDRN O=c1[nH]c(Cl)c(CN2CCc3cccc(O)c3C2)s1 ZINC001237168228 779035848 /nfs/dbraw/zinc/03/58/48/779035848.db2.gz GXOQEMLEZFYGLT-UHFFFAOYSA-N 0 0 296.779 2.766 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237484362 779117584 /nfs/dbraw/zinc/11/75/84/779117584.db2.gz CWTLAHFADOWTMK-CJNGLKHVSA-N 0 0 261.365 2.702 20 10 CFCDRN CCOC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237484556 779118146 /nfs/dbraw/zinc/11/81/46/779118146.db2.gz FNHHKXZBESUDNK-CQSZACIVSA-N 0 0 291.391 2.866 20 10 CFCDRN Cc1cc2c(cn1)CN(Cc1c(C)cccc1O)C2 ZINC001237486672 779119330 /nfs/dbraw/zinc/11/93/30/779119330.db2.gz AUERVXRTSPAWIS-UHFFFAOYSA-N 0 0 254.333 2.920 20 10 CFCDRN CCCCN(CC(=O)OCC)Cc1c(C)cccc1O ZINC001237492004 779120125 /nfs/dbraw/zinc/12/01/25/779120125.db2.gz NPTAHRKXJNZLJU-UHFFFAOYSA-N 0 0 279.380 2.866 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@H]1O ZINC001237617146 779143972 /nfs/dbraw/zinc/14/39/72/779143972.db2.gz LGLRCHHHYRUYMP-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC001237618367 779146049 /nfs/dbraw/zinc/14/60/49/779146049.db2.gz ZFNIGBXNGHOCMM-NOZJJQNGSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC001237618370 779146345 /nfs/dbraw/zinc/14/63/45/779146345.db2.gz ZFNIGBXNGHOCMM-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN O=C1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]12 ZINC001237624639 779147575 /nfs/dbraw/zinc/14/75/75/779147575.db2.gz XDIZCUKCXHZURR-JOYOIKCWSA-N 0 0 297.757 2.986 20 10 CFCDRN C[C@@H]1COCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237807510 779184623 /nfs/dbraw/zinc/18/46/23/779184623.db2.gz KWHPNBWFDVDAER-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN CC[NH+](CC)CCN(C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237809685 779186019 /nfs/dbraw/zinc/18/60/19/779186019.db2.gz KCLXQSJSKYLNSB-UHFFFAOYSA-N 0 0 288.794 2.958 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C[C@]1(C)O ZINC001237933623 779209650 /nfs/dbraw/zinc/20/96/50/779209650.db2.gz FBXVFEAFAZPCRC-OTYXRUKQSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001237933652 779210105 /nfs/dbraw/zinc/21/01/05/779210105.db2.gz FJCFQTYAVPHAJY-XPTSAGLGSA-N 0 0 287.762 2.778 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237946343 779214398 /nfs/dbraw/zinc/21/43/98/779214398.db2.gz JAJZWDUQAJQWSZ-SNVBAGLBSA-N 0 0 273.735 2.796 20 10 CFCDRN Cc1cc(F)cc(C[N@H+](C)CC2CCOCC2)c1O ZINC001238056390 779241276 /nfs/dbraw/zinc/24/12/76/779241276.db2.gz HUBIKPOEFZPTHK-UHFFFAOYSA-N 0 0 267.344 2.698 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001238068253 779243939 /nfs/dbraw/zinc/24/39/39/779243939.db2.gz XPSHRWVOQSISDF-BXUZGUMPSA-N 0 0 277.339 2.641 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001238068260 779244063 /nfs/dbraw/zinc/24/40/63/779244063.db2.gz XPSHRWVOQSISDF-RISCZKNCSA-N 0 0 277.339 2.641 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001238068256 779244652 /nfs/dbraw/zinc/24/46/52/779244652.db2.gz XPSHRWVOQSISDF-FZMZJTMJSA-N 0 0 277.339 2.641 20 10 CFCDRN CCOc1cc(CN(C)Cc2ccccc2O)c(F)cn1 ZINC001238732176 779379013 /nfs/dbraw/zinc/37/90/13/779379013.db2.gz NBHDQUSVQOKZFN-UHFFFAOYSA-N 0 0 290.338 2.957 20 10 CFCDRN CCOCc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001238940442 779422178 /nfs/dbraw/zinc/42/21/78/779422178.db2.gz SFVIEVOLVKRSPW-UHFFFAOYSA-N 0 0 284.359 2.857 20 10 CFCDRN Cn1ccc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168522368 779433693 /nfs/dbraw/zinc/43/36/93/779433693.db2.gz PWPCNOLMVTUMDZ-UHFFFAOYSA-N 0 0 288.738 2.939 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001237798549 779718230 /nfs/dbraw/zinc/71/82/30/779718230.db2.gz JAIYFCITJSVTRW-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC[C@@H]1O ZINC001237933656 779724366 /nfs/dbraw/zinc/72/43/66/779724366.db2.gz FMYQEZTUHLNHRB-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN CCc1nc(OC)ccc1-c1ncnc2c1ccn2C ZINC001239763644 779755162 /nfs/dbraw/zinc/75/51/62/779755162.db2.gz DUNRJHTYAYIUCI-UHFFFAOYSA-N 0 0 268.320 2.601 20 10 CFCDRN CCc1nc(OC)ccc1-c1ccn(CC)c(=O)c1 ZINC001239779339 779767910 /nfs/dbraw/zinc/76/79/10/779767910.db2.gz OFPLSCIYCYBMAE-UHFFFAOYSA-N 0 0 258.321 2.501 20 10 CFCDRN C[C@H]1OCC[N@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000765101158 779879407 /nfs/dbraw/zinc/87/94/07/779879407.db2.gz WTSWZBHAAXMZII-NWDGAFQWSA-N 0 0 272.348 2.550 20 10 CFCDRN c1snnc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212362726 779995355 /nfs/dbraw/zinc/99/53/55/779995355.db2.gz YFUVMLKXPUEUKE-UHFFFAOYSA-N 0 0 286.316 2.796 20 10 CFCDRN COc1c(C)cc(-c2noc(-c3csnn3)n2)cc1C ZINC001212364613 779998258 /nfs/dbraw/zinc/99/82/58/779998258.db2.gz VSGNKKIZVLVUGU-UHFFFAOYSA-N 0 0 288.332 2.881 20 10 CFCDRN CC(C)(C)c1ccnc(-c2noc(-c3csnn3)n2)c1 ZINC001212364116 779998525 /nfs/dbraw/zinc/99/85/25/779998525.db2.gz FIXQYLLCIHDZAE-UHFFFAOYSA-N 0 0 287.348 2.948 20 10 CFCDRN Cc1cc(-c2nccn2C)c(-c2ccc3nccn3c2)nn1 ZINC001240217265 780001202 /nfs/dbraw/zinc/00/12/02/780001202.db2.gz JTRFGTSVJVTBDH-UHFFFAOYSA-N 0 0 290.330 2.500 20 10 CFCDRN O=c1cc(-c2ccc3nccn3c2)ccn1CC(F)(F)F ZINC001240221590 780007983 /nfs/dbraw/zinc/00/79/83/780007983.db2.gz NKKAFUNHUQENGV-UHFFFAOYSA-N 0 0 293.248 2.725 20 10 CFCDRN Cc1ccc(-c2nnc(C)cc2-c2nccn2C)cn1 ZINC001240222699 780009540 /nfs/dbraw/zinc/00/95/40/780009540.db2.gz BGHHFBJODQJEPA-UHFFFAOYSA-N 0 0 265.320 2.556 20 10 CFCDRN O=C(c1cccnc1-c1cn[nH]c1)N1CCc2ccccc21 ZINC001240240619 780022055 /nfs/dbraw/zinc/02/20/55/780022055.db2.gz QRTJGDRTUYHWQL-UHFFFAOYSA-N 0 0 290.326 2.675 20 10 CFCDRN COc1cc(-c2noc(-c3nnsc3C)n2)ccc1C ZINC001212405085 780094629 /nfs/dbraw/zinc/09/46/29/780094629.db2.gz GPXKNAUHJLMYNO-UHFFFAOYSA-N 0 0 288.332 2.881 20 10 CFCDRN COc1cccc([C@H]2NC(=O)c3cccc(C)c3N2)c1O ZINC000027578102 780127034 /nfs/dbraw/zinc/12/70/34/780127034.db2.gz HROMRFYWAUGZJL-OAHLLOKOSA-N 0 0 284.315 2.563 20 10 CFCDRN CON(C)C(=O)c1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240576239 780267147 /nfs/dbraw/zinc/26/71/47/780267147.db2.gz OYYVKZMMCYUCDQ-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN Cc1cc(N2CCCCC2)ncc1-c1ccn(C)c(=O)c1 ZINC001240986505 780574334 /nfs/dbraw/zinc/57/43/34/780574334.db2.gz SEVUUSISPLLQSV-UHFFFAOYSA-N 0 0 283.375 2.746 20 10 CFCDRN Cc1cc2cccnc2c(-c2ccn(C)c(=O)c2)c1 ZINC001240989211 780576108 /nfs/dbraw/zinc/57/61/08/780576108.db2.gz TUTGYCPAYDBOQW-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cn1ccc(-c2cncc(-c3ccncc3)c2)cc1=O ZINC001240988493 780576114 /nfs/dbraw/zinc/57/61/14/780576114.db2.gz DSLULUTVGMNIDS-UHFFFAOYSA-N 0 0 263.300 2.509 20 10 CFCDRN Cn1ccc(-c2c(F)ccc3cccnc32)cc1=O ZINC001240988833 780576464 /nfs/dbraw/zinc/57/64/64/780576464.db2.gz IXFPOYWCXCZBOY-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN CCn1cc(C2=CCN(c3ccccc3)CC2)ncc1=O ZINC001241354408 780805802 /nfs/dbraw/zinc/80/58/02/780805802.db2.gz LASIACAKTKZCGG-UHFFFAOYSA-N 0 0 281.359 2.557 20 10 CFCDRN Cc1cc(C2=CCN(c3ccccc3)CC2)cnc1C(N)=O ZINC001241359995 780809626 /nfs/dbraw/zinc/80/96/26/780809626.db2.gz INTRHLWKARNKHJ-UHFFFAOYSA-N 0 0 293.370 2.783 20 10 CFCDRN C[S@](=O)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241360136 780809672 /nfs/dbraw/zinc/80/96/72/780809672.db2.gz KMSHLZWXZZCYTQ-NRFANRHFSA-N 0 0 299.399 2.508 20 10 CFCDRN CCn1ccc(-c2ccc(N3CCCC3)nc2)cc1=O ZINC001241377367 780832447 /nfs/dbraw/zinc/83/24/47/780832447.db2.gz HMZDSSYEIVARJQ-UHFFFAOYSA-N 0 0 269.348 2.530 20 10 CFCDRN C[C@@H](NC(=O)CN(C)c1ccc(N)cc1)c1cccs1 ZINC000702092885 780878219 /nfs/dbraw/zinc/87/82/19/780878219.db2.gz OAWPLPCVOBMPSE-LLVKDONJSA-N 0 0 289.404 2.644 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cccc2cnn(C)c21 ZINC001241453597 780907164 /nfs/dbraw/zinc/90/71/64/780907164.db2.gz AQWTVGHPFCCTGS-UHFFFAOYSA-N 0 0 263.304 2.522 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)ccc(F)c1F ZINC000703230201 780998901 /nfs/dbraw/zinc/99/89/01/780998901.db2.gz POGXSYANPBWMDZ-INTQDDNPSA-N 0 0 253.292 2.949 20 10 CFCDRN Cc1cnc([C@H](C)NCc2ccc(F)c(F)c2[O-])o1 ZINC000703229160 780999303 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COC[C@@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703439815 781016643 /nfs/dbraw/zinc/01/66/43/781016643.db2.gz TYMXVFDUFXFUFN-AWEZNQCLSA-N 0 0 271.307 2.529 20 10 CFCDRN COCCC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000704164322 781089451 /nfs/dbraw/zinc/08/94/51/781089451.db2.gz AYRNZKZUYQVOGY-UHFFFAOYSA-N 0 0 277.368 2.549 20 10 CFCDRN COc1cc(C)c(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001241773214 781121651 /nfs/dbraw/zinc/12/16/51/781121651.db2.gz YYLGVUJCDJATOO-UHFFFAOYSA-N 0 0 298.264 2.790 20 10 CFCDRN COc1cc(C)c(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001241775597 781122618 /nfs/dbraw/zinc/12/26/18/781122618.db2.gz DHXSJNDHKYKKEA-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)C(F)(F)F ZINC000705436526 781139942 /nfs/dbraw/zinc/13/99/42/781139942.db2.gz AUYBYSKRVGOCHN-MRVPVSSYSA-N 0 0 260.259 2.820 20 10 CFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000705567141 781141920 /nfs/dbraw/zinc/14/19/20/781141920.db2.gz RSKKYMBNPOCNPE-VIFPVBQESA-N 0 0 275.270 2.939 20 10 CFCDRN CCOC(=O)Cc1ncncc1-c1cccc2c1ccn2C ZINC001241822001 781144844 /nfs/dbraw/zinc/14/48/44/781144844.db2.gz CPBHUVWQTBMRBT-UHFFFAOYSA-N 0 0 295.342 2.741 20 10 CFCDRN COC(=O)Cc1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241822868 781144886 /nfs/dbraw/zinc/14/48/86/781144886.db2.gz QYESIOAQLOGVII-UHFFFAOYSA-N 0 0 280.327 2.956 20 10 CFCDRN CCN(C(=O)c1cccc(O)c1O)[C@H](C)C(C)C ZINC000706447303 781175359 /nfs/dbraw/zinc/17/53/59/781175359.db2.gz AQPHTZRTNWLEEA-SNVBAGLBSA-N 0 0 251.326 2.604 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000707052214 781221478 /nfs/dbraw/zinc/22/14/78/781221478.db2.gz GRKRXLZJUHSMKZ-RNCFNFMXSA-N 0 0 265.740 2.842 20 10 CFCDRN COC1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708388873 781272201 /nfs/dbraw/zinc/27/22/01/781272201.db2.gz IVMYMYZLPQYFHI-UHFFFAOYSA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1cccnc1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708481079 781272383 /nfs/dbraw/zinc/27/23/83/781272383.db2.gz NYYCCZNIMGFYJL-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN COC1(C)CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708412307 781273030 /nfs/dbraw/zinc/27/30/30/781273030.db2.gz GLIXTCCLLSVWGM-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN COC(C)(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708408793 781273136 /nfs/dbraw/zinc/27/31/36/781273136.db2.gz IDMFJPZOPVCINT-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN COC[C@H]1CCCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708433132 781274708 /nfs/dbraw/zinc/27/47/08/781274708.db2.gz HHEPMQWHHJPYCV-NSHDSACASA-N 0 0 285.334 2.919 20 10 CFCDRN COC[C@@H]1CCCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708433128 781275074 /nfs/dbraw/zinc/27/50/74/781275074.db2.gz HHEPMQWHHJPYCV-LLVKDONJSA-N 0 0 285.334 2.919 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CS1 ZINC000708465230 781275983 /nfs/dbraw/zinc/27/59/83/781275983.db2.gz DWCQQYPYROYUDW-XVKPBYJWSA-N 0 0 259.321 2.654 20 10 CFCDRN CC(C)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031050 781288305 /nfs/dbraw/zinc/28/83/05/781288305.db2.gz SNRDDNFUJXZFCS-CYBMUJFWSA-N 0 0 269.772 2.902 20 10 CFCDRN CC[C@@H](CSC)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494912 781290637 /nfs/dbraw/zinc/29/06/37/781290637.db2.gz RGJWPYIDBPAYPG-JTQLQIEISA-N 0 0 261.337 2.902 20 10 CFCDRN CCSCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494557 781290737 /nfs/dbraw/zinc/29/07/37/781290737.db2.gz LTXYLXQQQNWBDT-UHFFFAOYSA-N 0 0 261.337 2.903 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000708494798 781290883 /nfs/dbraw/zinc/29/08/83/781290883.db2.gz PMDUONRPEHZFLS-QMMMGPOBSA-N 0 0 259.321 2.513 20 10 CFCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534908 781292359 /nfs/dbraw/zinc/29/23/59/781292359.db2.gz GKIPUZFDCMOLKM-SNVBAGLBSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000708534885 781292984 /nfs/dbraw/zinc/29/29/84/781292984.db2.gz GARGREMHPJTTQQ-ZJUUUORDSA-N 0 0 271.307 2.575 20 10 CFCDRN COc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)C2 ZINC000710289105 781332494 /nfs/dbraw/zinc/33/24/94/781332494.db2.gz ZUFVHOCVILIKST-UHFFFAOYSA-N 0 0 255.317 2.917 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711498566 781446299 /nfs/dbraw/zinc/44/62/99/781446299.db2.gz QABRQSFMMKWBJR-VIFPVBQESA-N 0 0 259.271 2.852 20 10 CFCDRN Nc1cncc(-c2ccn(Cc3ccccc3F)c(=O)c2)c1 ZINC001242501085 781549097 /nfs/dbraw/zinc/54/90/97/781549097.db2.gz DCHVOSORWIAGQW-UHFFFAOYSA-N 0 0 295.317 2.680 20 10 CFCDRN CCc1ncccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001242522807 781563949 /nfs/dbraw/zinc/56/39/49/781563949.db2.gz DZQLQLSHAMXULP-UHFFFAOYSA-N 0 0 291.354 2.916 20 10 CFCDRN CN(C)c1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001242527806 781569283 /nfs/dbraw/zinc/56/92/83/781569283.db2.gz FUQMKRDWBXEUES-UHFFFAOYSA-N 0 0 279.343 2.667 20 10 CFCDRN CN(C)c1cncc(-c2ccnc3c2ccn3C)c1 ZINC001242529372 781571321 /nfs/dbraw/zinc/57/13/21/781571321.db2.gz WOXSGYNQHBEELQ-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Cn1ccc2c1ncnc2-c1cccnc1OC(F)F ZINC001242627567 781656656 /nfs/dbraw/zinc/65/66/56/781656656.db2.gz DOVSOUNNWRBREY-UHFFFAOYSA-N 0 0 276.246 2.632 20 10 CFCDRN CSc1cncc(-c2ccc3ncc(=O)n(C)c3c2)c1 ZINC001242950307 781866328 /nfs/dbraw/zinc/86/63/28/781866328.db2.gz FVQKQKJNUCZULU-UHFFFAOYSA-N 0 0 283.356 2.717 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccsc1 ZINC000173203541 282296230 /nfs/dbraw/zinc/29/62/30/282296230.db2.gz LTNBMGPYPPBDLB-UHFFFAOYSA-N 0 0 288.372 2.853 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000073915549 346985099 /nfs/dbraw/zinc/98/50/99/346985099.db2.gz KSNWMIMHPSAJFT-VXGBXAGGSA-N 0 0 293.386 2.689 20 10 CFCDRN CC[C@H](NC(=O)NCc1ccccc1O)c1ccncc1 ZINC000073939424 346985899 /nfs/dbraw/zinc/98/58/99/346985899.db2.gz CFNGPCCRRBZERN-AWEZNQCLSA-N 0 0 285.347 2.738 20 10 CFCDRN Cc1noc(COc2ccc(N3CCCC3)cc2)n1 ZINC000267370294 282399993 /nfs/dbraw/zinc/39/99/93/282399993.db2.gz DRPBQNHZEMMYHA-UHFFFAOYSA-N 0 0 259.309 2.557 20 10 CFCDRN Cc1noc(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028313998 346275181 /nfs/dbraw/zinc/27/51/81/346275181.db2.gz VBERPWSYZMOVFM-UHFFFAOYSA-N 0 0 287.363 2.630 20 10 CFCDRN O=C(NCc1ccoc1)NCc1ccc(N2CCCC2)cc1 ZINC000046983816 346439686 /nfs/dbraw/zinc/43/96/86/346439686.db2.gz SHYWMJFOBXYRBB-UHFFFAOYSA-N 0 0 299.374 2.879 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000051374594 346503643 /nfs/dbraw/zinc/50/36/43/346503643.db2.gz GLOVEDJISZRVBU-LSDHHAIUSA-N 0 0 282.343 2.549 20 10 CFCDRN C/C=C/C=C/C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730588 346649518 /nfs/dbraw/zinc/64/95/18/346649518.db2.gz ALLALAMPBHZMTJ-YTXTXJHMSA-N 0 0 262.328 2.640 20 10 CFCDRN CCC(CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058730630 346649545 /nfs/dbraw/zinc/64/95/45/346649545.db2.gz ZQBFJPARLPKJJG-UHFFFAOYSA-N 0 0 266.360 2.944 20 10 CFCDRN CCCCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065420208 346733805 /nfs/dbraw/zinc/73/38/05/346733805.db2.gz UQCHMPKVBVKGHI-UHFFFAOYSA-N 0 0 290.407 2.720 20 10 CFCDRN CC(C)(C)c1nccc(NCCc2ccc(O)c(O)c2)n1 ZINC000085689426 347482254 /nfs/dbraw/zinc/48/22/54/347482254.db2.gz GVOSWAUQLDSXDQ-UHFFFAOYSA-N 0 0 287.363 2.840 20 10 CFCDRN COc1cccc(CNc2nnc(C(C)C)s2)c1O ZINC000091479188 347589292 /nfs/dbraw/zinc/58/92/92/347589292.db2.gz WNKJFWOAFZPPKX-UHFFFAOYSA-N 0 0 279.365 2.988 20 10 CFCDRN CCc1nsc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000092650078 347636455 /nfs/dbraw/zinc/63/64/55/347636455.db2.gz WJNLEWPIHBJMIX-QMMMGPOBSA-N 0 0 279.365 2.988 20 10 CFCDRN CC(C)c1nsc(NCCc2ccc(O)c(O)c2)n1 ZINC000092665980 347638453 /nfs/dbraw/zinc/63/84/53/347638453.db2.gz AHLMZYAUGISVRV-UHFFFAOYSA-N 0 0 279.365 2.727 20 10 CFCDRN CCCCCCNC(=O)NCc1ccccc1O ZINC000139831800 347923146 /nfs/dbraw/zinc/92/31/46/347923146.db2.gz DEUCYBUOXSMLCP-UHFFFAOYSA-N 0 0 250.342 2.772 20 10 CFCDRN CC(C)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265896798 348322767 /nfs/dbraw/zinc/32/27/67/348322767.db2.gz GVECZDIGSQGWSY-UHFFFAOYSA-N 0 0 287.407 2.860 20 10 CFCDRN CCCOc1ccc(CNc2nc(CC)no2)c(O)c1 ZINC000292798696 348359187 /nfs/dbraw/zinc/35/91/87/348359187.db2.gz RCCOSGQLEWMZGV-UHFFFAOYSA-N 0 0 277.324 2.739 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCCc2ccc(F)cc21 ZINC000492501557 348632188 /nfs/dbraw/zinc/63/21/88/348632188.db2.gz KGPPQUBBHIKGOD-AATRIKPKSA-N 0 0 283.306 2.608 20 10 CFCDRN CCCN(CC)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273560440 283173535 /nfs/dbraw/zinc/17/35/35/283173535.db2.gz HYMSWBYIJKMXKI-GFCCVEGCSA-N 0 0 295.383 2.683 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000294532090 199075975 /nfs/dbraw/zinc/07/59/75/199075975.db2.gz DEWWFOUZSRPPOW-LBPRGKRZSA-N 0 0 299.729 2.991 20 10 CFCDRN Cc1cnc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 ZINC000296087459 199778592 /nfs/dbraw/zinc/77/85/92/199778592.db2.gz YWOVCLWKUUFPSC-YFHOEESVSA-N 0 0 293.417 2.908 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294792457 199184762 /nfs/dbraw/zinc/18/47/62/199184762.db2.gz VIIBSPABRIELNE-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000294797433 199187746 /nfs/dbraw/zinc/18/77/46/199187746.db2.gz DUYAKXFYLUMHGK-AAEUAGOBSA-N 0 0 277.364 2.843 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CCC[C@@H](O)C2)s1 ZINC000294899889 199237767 /nfs/dbraw/zinc/23/77/67/199237767.db2.gz ALBMOCJJYKPQRY-DTWKUNHWSA-N 0 0 287.406 2.573 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)c(F)c1[O-] ZINC000187729176 299366664 /nfs/dbraw/zinc/36/66/64/299366664.db2.gz XRSJLNKCMHSPCC-OPQQBVKSSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273451803 299388296 /nfs/dbraw/zinc/38/82/96/299388296.db2.gz GEVXWJSGVLEDQX-WDEREUQCSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)c(F)c1[O-] ZINC000187796322 296157107 /nfs/dbraw/zinc/15/71/07/296157107.db2.gz UFACEQNTWLAMKW-PSASIEDQSA-N 0 0 293.317 2.602 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273451797 296164441 /nfs/dbraw/zinc/16/44/41/296164441.db2.gz GEVXWJSGVLEDQX-MNOVXSKESA-N 0 0 294.351 2.909 20 10 CFCDRN Cn1cnnc1[C@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000093809921 375313297 /nfs/dbraw/zinc/31/32/97/375313297.db2.gz MJLAUOSNQXWMEQ-GFCCVEGCSA-N 0 0 292.770 2.511 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@H](c3ccco3)C2)cc1 ZINC000093841121 375321302 /nfs/dbraw/zinc/32/13/02/375321302.db2.gz LQQWNHSGDAMTNY-KRWDZBQOSA-N 0 0 286.375 2.919 20 10 CFCDRN CC[C@H]([NH2+]CCn1cc(C)cn1)c1ccccc1O ZINC000121098126 376761028 /nfs/dbraw/zinc/76/10/28/376761028.db2.gz YHBAUMXDRNKJTB-AWEZNQCLSA-N 0 0 259.353 2.638 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000124530084 377060393 /nfs/dbraw/zinc/06/03/93/377060393.db2.gz QXXADPZOUDVPSG-NSHDSACASA-N 0 0 255.745 2.656 20 10 CFCDRN CC[NH+](CC)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000124528656 377060630 /nfs/dbraw/zinc/06/06/30/377060630.db2.gz LQVSJXSNVFSRTB-CYBMUJFWSA-N 0 0 282.815 2.962 20 10 CFCDRN COC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124599768 377068215 /nfs/dbraw/zinc/06/82/15/377068215.db2.gz VBHBXYMRUWBOGQ-SNVBAGLBSA-N 0 0 255.745 2.514 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000124588461 377068702 /nfs/dbraw/zinc/06/87/02/377068702.db2.gz FQJYMXJKAKCKKS-SNVBAGLBSA-N 0 0 255.745 2.656 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124642243 377073524 /nfs/dbraw/zinc/07/35/24/377073524.db2.gz CTGQKJAIDDCQGC-GFCCVEGCSA-N 0 0 268.788 2.620 20 10 CFCDRN CCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000124912476 377101995 /nfs/dbraw/zinc/10/19/95/377101995.db2.gz NHTKGNPBBMXPCQ-UHFFFAOYSA-N 0 0 273.380 2.662 20 10 CFCDRN CS[C@@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000125814167 377195334 /nfs/dbraw/zinc/19/53/34/377195334.db2.gz JZJZFPMNCPYHEU-QMMMGPOBSA-N 0 0 290.226 2.996 20 10 CFCDRN CCCOc1ccc(C[N@H+](C)CCn2cccn2)c(O)c1 ZINC000125305574 377140707 /nfs/dbraw/zinc/14/07/07/377140707.db2.gz PWXTYTLMMISBKG-UHFFFAOYSA-N 0 0 289.379 2.510 20 10 CFCDRN CN(C)c1ccc(C[N@H+](C)CCOCC2CC2)cc1 ZINC000130204659 377520662 /nfs/dbraw/zinc/52/06/62/377520662.db2.gz JJXMSMNVXQKDNS-UHFFFAOYSA-N 0 0 262.397 2.611 20 10 CFCDRN COc1cc(N(C)Cc2ccncc2)cc(OC)c1OC ZINC000131067063 377651287 /nfs/dbraw/zinc/65/12/87/377651287.db2.gz ZHBHQACARLDXQD-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN Cc1nc(CCN(C)c2ccc3c(c2)OCO3)cs1 ZINC000133129061 377906366 /nfs/dbraw/zinc/90/63/66/377906366.db2.gz PQANYIYSAGEQLA-UHFFFAOYSA-N 0 0 276.361 2.859 20 10 CFCDRN C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134914009 378062561 /nfs/dbraw/zinc/06/25/61/378062561.db2.gz MNBDASFTSWRPQP-RQJHMYQMSA-N 0 0 264.152 2.730 20 10 CFCDRN CC(=O)c1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000148087593 378254825 /nfs/dbraw/zinc/25/48/25/378254825.db2.gz ZXLDKIOFECQGRW-RYUDHWBXSA-N 0 0 277.339 2.966 20 10 CFCDRN COc1cccc(CNC(=O)NCCC2=CCCC2)c1O ZINC000152143861 378398546 /nfs/dbraw/zinc/39/85/46/378398546.db2.gz CGQKRUNETVJKCW-UHFFFAOYSA-N 0 0 290.363 2.700 20 10 CFCDRN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1O ZINC000154987570 378606740 /nfs/dbraw/zinc/60/67/40/378606740.db2.gz CRIKOTDLDAOJAY-NSHDSACASA-N 0 0 265.353 2.554 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCC1(C)CCC1 ZINC000174991185 379975368 /nfs/dbraw/zinc/97/53/68/379975368.db2.gz RGTWOIZAMFKSRW-UHFFFAOYSA-N 0 0 262.353 2.724 20 10 CFCDRN COCCOCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000175627796 380102291 /nfs/dbraw/zinc/10/22/91/380102291.db2.gz DGSPGEWTLNWZQZ-UHFFFAOYSA-N 0 0 285.359 2.712 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(O)c1O ZINC000177660537 380364401 /nfs/dbraw/zinc/36/44/01/380364401.db2.gz SKENYBFRFDTWMU-NXEZZACHSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)c(O)c1O ZINC000177675502 380365837 /nfs/dbraw/zinc/36/58/37/380365837.db2.gz BPCVUANWHLHIOW-UHFFFAOYSA-N 0 0 298.342 2.606 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCO2)C(=O)OC1CCCC1 ZINC000177711144 380370779 /nfs/dbraw/zinc/37/07/79/380370779.db2.gz XRTYZTOWOVRVBF-LBPRGKRZSA-N 0 0 289.375 2.585 20 10 CFCDRN Oc1ccccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529666236 383745381 /nfs/dbraw/zinc/74/53/81/383745381.db2.gz SKIZNVIHJJOIKS-UHFFFAOYSA-N 0 0 281.359 2.618 20 10 CFCDRN C/C=C(\C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000178293950 380432312 /nfs/dbraw/zinc/43/23/12/380432312.db2.gz CMJMDEKOOVWNNU-QDEBKDIKSA-N 0 0 259.349 2.853 20 10 CFCDRN CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1 ZINC000178412911 380449999 /nfs/dbraw/zinc/44/99/99/380449999.db2.gz ADQNAWYODKMNOW-CYBMUJFWSA-N 0 0 294.351 2.736 20 10 CFCDRN Cc1nc(C(=O)N(C)Cc2ccccc2O)c(C)s1 ZINC000178944577 380494776 /nfs/dbraw/zinc/49/47/76/380494776.db2.gz DTNOSHPBHQOKAB-UHFFFAOYSA-N 0 0 276.361 2.738 20 10 CFCDRN COc1ccc(N(C)Cc2nccn2C(F)F)c(OC)c1 ZINC000179003775 380500471 /nfs/dbraw/zinc/50/04/71/380500471.db2.gz HIKBMAOEKAABOE-UHFFFAOYSA-N 0 0 297.305 2.932 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000179156827 380516560 /nfs/dbraw/zinc/51/65/60/380516560.db2.gz MPBLYYQDPNVMAC-CQSZACIVSA-N 0 0 292.423 2.964 20 10 CFCDRN CCSCC[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000179527245 380552661 /nfs/dbraw/zinc/55/26/61/380552661.db2.gz ANHQESRIYCCJKT-JTQLQIEISA-N 0 0 283.393 2.668 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000179780004 380580944 /nfs/dbraw/zinc/58/09/44/380580944.db2.gz ZSOYFRCODAUJGV-CYBMUJFWSA-N 0 0 271.364 2.803 20 10 CFCDRN CCC(C)(CC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180778022 380697148 /nfs/dbraw/zinc/69/71/48/380697148.db2.gz JOMLOZJILUDEQR-VQHVLOKHSA-N 0 0 263.337 2.806 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nccs1 ZINC000181137754 380746458 /nfs/dbraw/zinc/74/64/58/380746458.db2.gz CSKYIKOPVUSMQM-UHFFFAOYSA-N 0 0 275.377 2.608 20 10 CFCDRN Cc1ccc(O)c(CN(C)Cc2ncc(Cl)n2C)c1 ZINC000181149973 380747986 /nfs/dbraw/zinc/74/79/86/380747986.db2.gz OLXBIVFNAWTJHS-UHFFFAOYSA-N 0 0 279.771 2.720 20 10 CFCDRN CC[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(F)cc1[O-] ZINC000287687808 380910334 /nfs/dbraw/zinc/91/03/34/380910334.db2.gz WNINHAIZLIWQSO-OAHLLOKOSA-N 0 0 278.371 2.834 20 10 CFCDRN CCOC1CC(O)(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000287713524 380917548 /nfs/dbraw/zinc/91/75/48/380917548.db2.gz XSQBBRNZYGIGDH-CXOJTPOUSA-N 0 0 297.370 2.502 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000368095200 380922134 /nfs/dbraw/zinc/92/21/34/380922134.db2.gz WQQWNQQPRBZMLH-WMLDXEAASA-N 0 0 289.375 2.557 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)CF)cc1 ZINC000287774188 380934349 /nfs/dbraw/zinc/93/43/49/380934349.db2.gz WFXPEAAOXKUXBS-GFCCVEGCSA-N 0 0 281.375 2.690 20 10 CFCDRN COc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295926077 381162283 /nfs/dbraw/zinc/16/22/83/381162283.db2.gz JZRHLVJJVUQPML-DOTOQJQBSA-N 0 0 299.370 2.711 20 10 CFCDRN CS[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182852005 381170551 /nfs/dbraw/zinc/17/05/51/381170551.db2.gz MLAAHMPJDNOZEI-LLVKDONJSA-N 0 0 295.404 2.764 20 10 CFCDRN CC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CCS1 ZINC000296042543 381226279 /nfs/dbraw/zinc/22/62/79/381226279.db2.gz AOIPJMUDIMMVDO-UHFFFAOYSA-N 0 0 299.367 2.595 20 10 CFCDRN C[C@@H](CCc1ccco1)NC(=O)c1c(F)ccc(O)c1O ZINC000296423337 381388488 /nfs/dbraw/zinc/38/84/88/381388488.db2.gz MULRSLWIUXKVBP-VIFPVBQESA-N 0 0 293.294 2.581 20 10 CFCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296504156 381424714 /nfs/dbraw/zinc/42/47/14/381424714.db2.gz LSDUZJDVOVKLBB-QWHCGFSZSA-N 0 0 277.364 2.930 20 10 CFCDRN CCC1([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000296636723 381484070 /nfs/dbraw/zinc/48/40/70/381484070.db2.gz XUISLWVKZYTZIZ-SNVBAGLBSA-N 0 0 263.337 2.772 20 10 CFCDRN Cc1cc(Br)cc(CNCC(F)F)c1O ZINC000298041329 381577328 /nfs/dbraw/zinc/57/73/28/381577328.db2.gz HHHXSBOXIBPGPB-UHFFFAOYSA-N 0 0 280.112 2.818 20 10 CFCDRN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185349518 381607645 /nfs/dbraw/zinc/60/76/45/381607645.db2.gz LFJBXCFSVBBZIE-ZJUUUORDSA-N 0 0 277.343 2.985 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185370207 381615494 /nfs/dbraw/zinc/61/54/94/381615494.db2.gz SUYRLOOGDOQREQ-WFASDCNBSA-N 0 0 289.350 2.786 20 10 CFCDRN Oc1ccc(F)cc1CNc1cccc2c1OCC[C@@H]2O ZINC000185578843 381670869 /nfs/dbraw/zinc/67/08/69/381670869.db2.gz YODPIKQFWVJKJN-HNNXBMFYSA-N 0 0 289.306 2.959 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000185782417 381731978 /nfs/dbraw/zinc/73/19/78/381731978.db2.gz ADLMNHINBXWFKC-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000186153553 381836265 /nfs/dbraw/zinc/83/62/65/381836265.db2.gz HXXZSBDLPFOHFO-NOZJJQNGSA-N 0 0 253.317 2.607 20 10 CFCDRN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186170318 381842354 /nfs/dbraw/zinc/84/23/54/381842354.db2.gz TUVXYGXKZRCDTL-LLVKDONJSA-N 0 0 269.360 2.981 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000186179237 381844079 /nfs/dbraw/zinc/84/40/79/381844079.db2.gz HCJAJDLUIQNGHC-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000186382441 381897048 /nfs/dbraw/zinc/89/70/48/381897048.db2.gz IPJWCFPVKSBTNM-QWHCGFSZSA-N 0 0 299.370 2.949 20 10 CFCDRN Oc1ccc(F)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000373120891 381932570 /nfs/dbraw/zinc/93/25/70/381932570.db2.gz HXZDFKCVFUOQNE-CYBMUJFWSA-N 0 0 277.295 2.698 20 10 CFCDRN Oc1ccccc1CN1CCOC[C@H]1c1ccco1 ZINC000373126407 381932849 /nfs/dbraw/zinc/93/28/49/381932849.db2.gz UVPDULSFVKRZNL-ZDUSSCGKSA-N 0 0 259.305 2.559 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186522876 381936119 /nfs/dbraw/zinc/93/61/19/381936119.db2.gz OESQYYNIVDYAPX-BMPPAVAUSA-N 0 0 253.317 2.509 20 10 CFCDRN COc1cccc(CNC(=O)C[C@@H]2C=CCCC2)c1O ZINC000186869033 382034058 /nfs/dbraw/zinc/03/40/58/382034058.db2.gz MCHXCBMACBYZSP-GFCCVEGCSA-N 0 0 275.348 2.763 20 10 CFCDRN Cc1nnc([C@H](C)N2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000375962835 382112650 /nfs/dbraw/zinc/11/26/50/382112650.db2.gz PMSCQKHQUTYOGG-LBPRGKRZSA-N 0 0 298.390 2.904 20 10 CFCDRN CN1CCc2cc(CNC(=O)C3CC(C)(C)C3)ccc21 ZINC000376049860 382117133 /nfs/dbraw/zinc/11/71/33/382117133.db2.gz HBVRPIKAUVFNDI-UHFFFAOYSA-N 0 0 272.392 2.731 20 10 CFCDRN Cc1coc(C)c1C(=O)NCc1ccc2c(c1)CCN2C ZINC000375313329 382079441 /nfs/dbraw/zinc/07/94/41/382079441.db2.gz MRSVPNHGEKXOGN-UHFFFAOYSA-N 0 0 284.359 2.819 20 10 CFCDRN Clc1cncc(N2CC=C(c3cccnc3)CC2)n1 ZINC000375356175 382082101 /nfs/dbraw/zinc/08/21/01/382082101.db2.gz YOLVSTRPFWBEIQ-UHFFFAOYSA-N 0 0 272.739 2.819 20 10 CFCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC12CCC2 ZINC000375693380 382096860 /nfs/dbraw/zinc/09/68/60/382096860.db2.gz RSSPJPHDNVERIC-NSHDSACASA-N 0 0 275.348 2.750 20 10 CFCDRN CCC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000293575720 382183280 /nfs/dbraw/zinc/18/32/80/382183280.db2.gz DXYACKDNMUTSMP-ZYHUDNBSSA-N 0 0 255.333 2.997 20 10 CFCDRN CC1(Cc2ccccc2)CN(C(=O)c2cccc(O)c2O)C1 ZINC000376455394 382137919 /nfs/dbraw/zinc/13/79/19/382137919.db2.gz QLNACNUCCJMIIS-UHFFFAOYSA-N 0 0 297.354 2.803 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000293658930 382220013 /nfs/dbraw/zinc/22/00/13/382220013.db2.gz PJPNUHCYQGQNEB-DTWKUNHWSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000293658932 382220691 /nfs/dbraw/zinc/22/06/91/382220691.db2.gz PJPNUHCYQGQNEB-IUCAKERBSA-N 0 0 273.735 2.699 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(C)ncn1 ZINC000301785853 382192928 /nfs/dbraw/zinc/19/29/28/382192928.db2.gz VBAMYWWXCGXCRO-UHFFFAOYSA-N 0 0 257.337 2.907 20 10 CFCDRN COC[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293797464 382283846 /nfs/dbraw/zinc/28/38/46/382283846.db2.gz BUWFMPSEKWXGBG-QMMMGPOBSA-N 0 0 261.724 2.557 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000293720687 382250055 /nfs/dbraw/zinc/25/00/55/382250055.db2.gz NPTYWJJERCSVIL-LKFCYVNXSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccccc1O ZINC000377340839 382255630 /nfs/dbraw/zinc/25/56/30/382255630.db2.gz ZHTHMPCTIALTMO-MEDUHNTESA-N 0 0 298.342 2.714 20 10 CFCDRN CC[C@@H](COC)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187728593 382258250 /nfs/dbraw/zinc/25/82/50/382258250.db2.gz MTYYUMLUEHSYCY-BDAKNGLRSA-N 0 0 259.296 2.746 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293742705 382259616 /nfs/dbraw/zinc/25/96/16/382259616.db2.gz XJRADMFTZLWUFS-SDBXPKJASA-N 0 0 275.751 2.681 20 10 CFCDRN Cc1cccc(CN2C[C@@H](CO)c3ccccc32)c1O ZINC000293855224 382307728 /nfs/dbraw/zinc/30/77/28/382307728.db2.gz HZJPSJKSSYCZGU-AWEZNQCLSA-N 0 0 269.344 2.797 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377790029 382346431 /nfs/dbraw/zinc/34/64/31/382346431.db2.gz WDZHEIMATZVZQP-MRVPVSSYSA-N 0 0 295.745 2.555 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000377714008 382329134 /nfs/dbraw/zinc/32/91/34/382329134.db2.gz DADCTIZPWPWHSB-DLBZAZTESA-N 0 0 297.354 2.929 20 10 CFCDRN CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000293929858 382340709 /nfs/dbraw/zinc/34/07/09/382340709.db2.gz HFWUPELNBSFMSO-AWEZNQCLSA-N 0 0 267.344 2.778 20 10 CFCDRN O=C1O[C@H](CSc2nccs2)CC12CCC2 ZINC000187910937 382294913 /nfs/dbraw/zinc/29/49/13/382294913.db2.gz DOVUAGRFPGBPAO-QMMMGPOBSA-N 0 0 255.364 2.721 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2nccn2C1)c1ccc(F)c(F)c1[O-] ZINC000364797828 382354264 /nfs/dbraw/zinc/35/42/64/382354264.db2.gz IQFNXPDXEPOTCK-UWVGGRQHSA-N 0 0 293.317 2.533 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000294118649 382422140 /nfs/dbraw/zinc/42/21/40/382422140.db2.gz GFXQIMVADHTABP-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)C3=CCCCO3)C2)cc1 ZINC000378533164 382480339 /nfs/dbraw/zinc/48/03/39/382480339.db2.gz NDAHVIPTMWRLIM-UHFFFAOYSA-N 0 0 298.386 2.673 20 10 CFCDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n(C)n1 ZINC000294718683 382525146 /nfs/dbraw/zinc/52/51/46/382525146.db2.gz PHPFLMQQHUDNSE-UHFFFAOYSA-N 0 0 283.734 2.516 20 10 CFCDRN CCCc1cc(C(=O)N(C)Cc2ccccc2O)no1 ZINC000294762024 382526730 /nfs/dbraw/zinc/52/67/30/382526730.db2.gz FAIWYDPXXRQLEO-UHFFFAOYSA-N 0 0 274.320 2.605 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000294509192 382515172 /nfs/dbraw/zinc/51/51/72/382515172.db2.gz BYUXGQSCLUZCND-TVQRCGJNSA-N 0 0 287.762 2.825 20 10 CFCDRN Oc1ccccc1CNC1(c2noc(C(F)F)n2)CCC1 ZINC000366494770 382519683 /nfs/dbraw/zinc/51/96/83/382519683.db2.gz DSVVVLQNVJWQCS-UHFFFAOYSA-N 0 0 295.289 2.882 20 10 CFCDRN Cc1ncsc1CC[NH2+]Cc1cc(F)ccc1O ZINC000294958408 382551301 /nfs/dbraw/zinc/55/13/01/382551301.db2.gz IDMUCARZOSXPPS-UHFFFAOYSA-N 0 0 266.341 2.629 20 10 CFCDRN FC(F)COCCOc1ccc(N2CCCC2)cc1 ZINC000189312759 382590256 /nfs/dbraw/zinc/59/02/56/382590256.db2.gz ADWPCXLRSQPCCP-UHFFFAOYSA-N 0 0 271.307 2.947 20 10 CFCDRN Cc1cccnc1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000295130175 382578253 /nfs/dbraw/zinc/57/82/53/382578253.db2.gz YKAQKRZXEMEISL-UHFFFAOYSA-N 0 0 274.339 2.957 20 10 CFCDRN CN(C)c1ccc(CNCc2cc(F)ncc2F)cc1F ZINC000295174404 382579694 /nfs/dbraw/zinc/57/96/94/382579694.db2.gz LVYXLNZHMJSIQY-UHFFFAOYSA-N 0 0 295.308 2.855 20 10 CFCDRN CCN(C(=O)C=Cc1c[nH]cn1)c1ccc(F)cc1 ZINC000493703740 382879525 /nfs/dbraw/zinc/87/95/25/382879525.db2.gz FYQGNGXFBQSDKU-YVMONPNESA-N 0 0 259.284 2.615 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237990494 382976726 /nfs/dbraw/zinc/97/67/26/382976726.db2.gz SKAAOUBHQXTQTD-KRWDZBQOSA-N 0 0 295.386 2.872 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249161830 383332512 /nfs/dbraw/zinc/33/25/12/383332512.db2.gz JKDYWSYCBYUYFH-CYZMBNFOSA-N 0 0 267.756 2.703 20 10 CFCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccnc1 ZINC000255563266 383484021 /nfs/dbraw/zinc/48/40/21/383484021.db2.gz DHXZELIAKNSJJG-FPLPWBNLSA-N 0 0 253.305 2.543 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]1(C)Br ZINC000528823067 383647846 /nfs/dbraw/zinc/64/78/46/383647846.db2.gz FWYYTZLFKZCXAK-MFKMUULPSA-N 0 0 298.180 2.524 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c1 ZINC000528861766 383664128 /nfs/dbraw/zinc/66/41/28/383664128.db2.gz PIVLFONSLLKDRD-VCXDHIOWSA-N 0 0 289.375 2.870 20 10 CFCDRN Cc1ccccc1C[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000528864800 383664732 /nfs/dbraw/zinc/66/47/32/383664732.db2.gz RUPCZLYWQAXRMN-CYBMUJFWSA-N 0 0 299.370 2.901 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCS1 ZINC000266634528 384211844 /nfs/dbraw/zinc/21/18/44/384211844.db2.gz VVLFOEGYCITIQI-OAHLLOKOSA-N 0 0 292.448 2.997 20 10 CFCDRN CC(C)=CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268614208 384639675 /nfs/dbraw/zinc/63/96/75/384639675.db2.gz XBJJPUCHQBOLFV-HNNXBMFYSA-N 0 0 289.375 2.866 20 10 CFCDRN Cn1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000268633011 384641681 /nfs/dbraw/zinc/64/16/81/384641681.db2.gz QHERQYQFLKJFOK-UHFFFAOYSA-N 0 0 283.375 2.555 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H](O)COC(C)C)cc1 ZINC000269089889 384723630 /nfs/dbraw/zinc/72/36/30/384723630.db2.gz JWHVETAWUKJKFO-HNNXBMFYSA-N 0 0 281.396 2.698 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(C)c2C)cc1F ZINC000268972563 384705910 /nfs/dbraw/zinc/70/59/10/384705910.db2.gz ASDDPXLENAWCDE-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(C)nc2ncnn21 ZINC000269352703 384749607 /nfs/dbraw/zinc/74/96/07/384749607.db2.gz KEGFHVPZAWTVBQ-UHFFFAOYSA-N 0 0 297.362 2.555 20 10 CFCDRN CCCS(=O)(=O)CCN(CC)c1ccc(OCC)cc1 ZINC000269586133 384795753 /nfs/dbraw/zinc/79/57/53/384795753.db2.gz GVWIJOFJFBJARG-UHFFFAOYSA-N 0 0 299.436 2.736 20 10 CFCDRN COc1ccc(C[C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000270384890 385083049 /nfs/dbraw/zinc/08/30/49/385083049.db2.gz LHCVEBWIZCHNMM-CYBMUJFWSA-N 0 0 299.370 2.896 20 10 CFCDRN Cc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)nn1C ZINC000282015288 385207818 /nfs/dbraw/zinc/20/78/18/385207818.db2.gz DUGRPZUYTATAOC-LBPRGKRZSA-N 0 0 290.386 2.784 20 10 CFCDRN CCc1nc(CN2CCCCc3cc(OC)ccc32)no1 ZINC000270835954 385240979 /nfs/dbraw/zinc/24/09/79/385240979.db2.gz DWYMERZYACQEMG-UHFFFAOYSA-N 0 0 287.363 2.984 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCO1 ZINC000271012910 385302629 /nfs/dbraw/zinc/30/26/29/385302629.db2.gz IZQVBBVRMMERIW-KRWDZBQOSA-N 0 0 290.407 2.670 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)COC(C)C ZINC000270927947 385273198 /nfs/dbraw/zinc/27/31/98/385273198.db2.gz WJIOJMRSEAKLDS-OAHLLOKOSA-N 0 0 293.407 2.624 20 10 CFCDRN COCCOCCN1CCCCc2cc(OC)ccc21 ZINC000270947286 385278926 /nfs/dbraw/zinc/27/89/26/385278926.db2.gz ZTAPBZUXZLVXLY-UHFFFAOYSA-N 0 0 279.380 2.501 20 10 CFCDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CSC ZINC000282341700 385286943 /nfs/dbraw/zinc/28/69/43/385286943.db2.gz BYGFRCSACZFSKF-AWEZNQCLSA-N 0 0 283.437 2.718 20 10 CFCDRN CCCCN(Cc1ncc[nH]1)Cc1ccccc1O ZINC000282346021 385288522 /nfs/dbraw/zinc/28/85/22/385288522.db2.gz CFMCWQUTZFFYCA-UHFFFAOYSA-N 0 0 259.353 2.918 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccncn1 ZINC000282395295 385300804 /nfs/dbraw/zinc/30/08/04/385300804.db2.gz DTOOCKYLBDPFIL-UHFFFAOYSA-N 0 0 285.347 2.625 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1F ZINC000271106873 385337958 /nfs/dbraw/zinc/33/79/58/385337958.db2.gz BBNWFHCYVVFMAT-HOTGVXAUSA-N 0 0 278.371 2.645 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)C(F)(F)F ZINC000271768548 385390963 /nfs/dbraw/zinc/39/09/63/385390963.db2.gz BAFSEGBMQRVYGY-KOLCDFICSA-N 0 0 297.704 2.837 20 10 CFCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)C(F)(F)F ZINC000271768545 385391576 /nfs/dbraw/zinc/39/15/76/385391576.db2.gz BAFSEGBMQRVYGY-GXSJLCMTSA-N 0 0 297.704 2.837 20 10 CFCDRN COc1ccc(N(Cc2ccn(C)n2)C(C)C)cc1F ZINC000271918816 385400520 /nfs/dbraw/zinc/40/05/20/385400520.db2.gz JXKVPSKPXBQISZ-UHFFFAOYSA-N 0 0 277.343 2.983 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1F ZINC000283078291 385432689 /nfs/dbraw/zinc/43/26/89/385432689.db2.gz KMQQHICHWWEHKR-UHFFFAOYSA-N 0 0 292.358 2.817 20 10 CFCDRN CCN(CCCn1ccnc1)c1ccc(OC)c(OC)c1 ZINC000272040159 385433481 /nfs/dbraw/zinc/43/34/81/385433481.db2.gz XTNQXOGAKUTQMB-UHFFFAOYSA-N 0 0 289.379 2.817 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCc1nccs1 ZINC000283428530 385465390 /nfs/dbraw/zinc/46/53/90/385465390.db2.gz MPMBYBJBPSMBKZ-UHFFFAOYSA-N 0 0 290.388 2.830 20 10 CFCDRN CN(C)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 ZINC000283780492 385499036 /nfs/dbraw/zinc/49/90/36/385499036.db2.gz QETWKZYNTJFIBD-UHFFFAOYSA-N 0 0 298.386 2.790 20 10 CFCDRN CCCN(CC(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272473013 385546614 /nfs/dbraw/zinc/54/66/14/385546614.db2.gz PWZXJGXTIISDJW-GQCTYLIASA-N 0 0 285.290 2.615 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc[nH]c1C1CC1 ZINC000284531778 385550321 /nfs/dbraw/zinc/55/03/21/385550321.db2.gz AGNOTUXEXQPDOS-UHFFFAOYSA-N 0 0 256.305 2.528 20 10 CFCDRN CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1[O-] ZINC000285728610 385557048 /nfs/dbraw/zinc/55/70/48/385557048.db2.gz QNIXGPMNUHHKLU-CQSZACIVSA-N 0 0 294.370 2.585 20 10 CFCDRN CCOCCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285771272 385557121 /nfs/dbraw/zinc/55/71/21/385557121.db2.gz SVOWXCIEKSTWAB-ZDUSSCGKSA-N 0 0 255.333 2.999 20 10 CFCDRN CC[C@H]([NH2+]CCOCC1CC1)c1ccc(F)cc1[O-] ZINC000285998587 385558866 /nfs/dbraw/zinc/55/88/66/385558866.db2.gz IMUNQXAWUJWYIK-AWEZNQCLSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccc(F)cc1[O-] ZINC000286003742 385559709 /nfs/dbraw/zinc/55/97/09/385559709.db2.gz IVNPVKNHMSGXSL-TZMCWYRMSA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@@H]([NH2+]CCN(C)CC)c1ccc(F)cc1[O-] ZINC000286100645 385560597 /nfs/dbraw/zinc/56/05/97/385560597.db2.gz NGKRIXCRLYTINJ-CYBMUJFWSA-N 0 0 254.349 2.524 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000286244575 385576877 /nfs/dbraw/zinc/57/68/77/385576877.db2.gz UDNOVSOVCHARAX-AAEUAGOBSA-N 0 0 253.317 2.751 20 10 CFCDRN CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(F)cc1[O-] ZINC000286140223 385564040 /nfs/dbraw/zinc/56/40/40/385564040.db2.gz OKKRGQICVQDSBM-FZMZJTMJSA-N 0 0 269.360 2.981 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000286191199 385569232 /nfs/dbraw/zinc/56/92/32/385569232.db2.gz QUUOQMFYFBJZAC-QDFGCFFBSA-N 0 0 267.344 2.899 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000286270003 385580626 /nfs/dbraw/zinc/58/06/26/385580626.db2.gz VHQFTTYJDROIDG-GYSYKLTISA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](C)COC)c1ccc(F)cc1[O-] ZINC000286328885 385591138 /nfs/dbraw/zinc/59/11/38/385591138.db2.gz XWVBTXLPMUTZBN-GWCFXTLKSA-N 0 0 255.333 2.855 20 10 CFCDRN Cc1cccc(CCCNC(=O)NCc2ccccc2O)n1 ZINC000286820231 385716995 /nfs/dbraw/zinc/71/69/95/385716995.db2.gz KJFVSIBAYSUGPZ-UHFFFAOYSA-N 0 0 299.374 2.528 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)SC)c1 ZINC000273447811 385682255 /nfs/dbraw/zinc/68/22/55/385682255.db2.gz FLVYNACPRQGTFN-ZJUUUORDSA-N 0 0 283.393 2.581 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273444119 385682591 /nfs/dbraw/zinc/68/25/91/385682591.db2.gz ZLIMYMZMVIPLNT-LLVKDONJSA-N 0 0 287.319 2.589 20 10 CFCDRN CCn1cc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cn1 ZINC000273496269 385686534 /nfs/dbraw/zinc/68/65/34/385686534.db2.gz PHAYXTJMTPJZFO-SNVBAGLBSA-N 0 0 289.335 2.568 20 10 CFCDRN CC[C@H](CSC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273547747 385688338 /nfs/dbraw/zinc/68/83/38/385688338.db2.gz ZPPHMUXFGZDBFX-ZYHUDNBSSA-N 0 0 297.420 2.971 20 10 CFCDRN COc1cc(OC)cc(C(=O)Nc2ccc(N)cc2)c1 ZINC000020327083 256798845 /nfs/dbraw/zinc/79/88/45/256798845.db2.gz TZOLZKBDIRJERV-UHFFFAOYSA-N 0 0 272.304 2.538 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000372397400 393448428 /nfs/dbraw/zinc/44/84/28/393448428.db2.gz DGHXRAJXZAKDFM-FVQBIDKESA-N 0 0 275.392 2.946 20 10 CFCDRN CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372447764 393450000 /nfs/dbraw/zinc/45/00/00/393450000.db2.gz UEFBGSMIWGNYEZ-ZDUSSCGKSA-N 0 0 287.407 2.620 20 10 CFCDRN CN1CCN(C(=O)/C=C/c2cncs2)c2ccccc2C1 ZINC000374149267 393486401 /nfs/dbraw/zinc/48/64/01/393486401.db2.gz RJCNANNDNITHIE-VOTSOKGWSA-N 0 0 299.399 2.635 20 10 CFCDRN CO[C@@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000374377125 393495036 /nfs/dbraw/zinc/49/50/36/393495036.db2.gz IICTYUHUDHMWDM-OAHLLOKOSA-N 0 0 269.344 2.970 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC12CC2 ZINC000335621109 393684676 /nfs/dbraw/zinc/68/46/76/393684676.db2.gz IMEHQZNRKFVJQY-OAHLLOKOSA-N 0 0 283.375 2.838 20 10 CFCDRN CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(N)cc1 ZINC000236935785 393790040 /nfs/dbraw/zinc/79/00/40/393790040.db2.gz WBFIPISPOCMYIB-UHFFFAOYSA-N 0 0 298.386 2.869 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)NC3CC3)cc2)CC1 ZINC000108536238 393875285 /nfs/dbraw/zinc/87/52/85/393875285.db2.gz RPYFJTSYXWTYIP-UHFFFAOYSA-N 0 0 287.407 2.885 20 10 CFCDRN CCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000104765953 393861624 /nfs/dbraw/zinc/86/16/24/393861624.db2.gz NCFVZSUTOCBPSE-UHFFFAOYSA-N 0 0 263.385 2.740 20 10 CFCDRN CC[C@@H](C)OCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000119634395 393923020 /nfs/dbraw/zinc/92/30/20/393923020.db2.gz RITAPOJDLXNAPU-CYBMUJFWSA-N 0 0 290.407 2.500 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3ccc(F)cc32)c1 ZINC000255223408 393943374 /nfs/dbraw/zinc/94/33/74/393943374.db2.gz MQYJNDQKJRZZOK-DJWKRKHSSA-N 0 0 298.317 2.968 20 10 CFCDRN Oc1ccccc1CNc1ccccc1CN1CCOCC1 ZINC000120957809 393944722 /nfs/dbraw/zinc/94/47/22/393944722.db2.gz JNCSCNNVTUOPJF-UHFFFAOYSA-N 0 0 298.386 2.837 20 10 CFCDRN COCCCCCN(C)c1ccc2c(c1)OCO2 ZINC000121242782 393953067 /nfs/dbraw/zinc/95/30/67/393953067.db2.gz IPXQXHANCFIQIZ-UHFFFAOYSA-N 0 0 251.326 2.668 20 10 CFCDRN CC(C)c1nc(CN(C)c2ccc3c(c2)OCO3)no1 ZINC000121304213 393953929 /nfs/dbraw/zinc/95/39/29/393953929.db2.gz IDAYMSZSLVOSFC-UHFFFAOYSA-N 0 0 275.308 2.558 20 10 CFCDRN COC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000266964818 393984767 /nfs/dbraw/zinc/98/47/67/393984767.db2.gz LLAXEXNYBIBMMC-CQSZACIVSA-N 0 0 292.354 2.962 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1CCSc2ncccc21 ZINC000492495537 394069504 /nfs/dbraw/zinc/06/95/04/394069504.db2.gz XFUGEMIMQSWTEW-SNAWJCMRSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C\c2cncc(F)c2)ccn1 ZINC000492563200 394071551 /nfs/dbraw/zinc/07/15/51/394071551.db2.gz IQGDOOJXXMELSM-ARJAWSKDSA-N 0 0 271.295 2.600 20 10 CFCDRN CCN(C(=O)/C=C\c1cccnc1)c1ncccc1C ZINC000492640170 394073094 /nfs/dbraw/zinc/07/30/94/394073094.db2.gz LVWBZRPOOBAJSE-HJWRWDBZSA-N 0 0 267.332 2.851 20 10 CFCDRN CCN(C(=O)/C=C\c1scnc1C)c1ccncc1 ZINC000492673021 394074290 /nfs/dbraw/zinc/07/42/90/394074290.db2.gz DYEFKTNWOUWHSP-PLNGDYQASA-N 0 0 273.361 2.913 20 10 CFCDRN CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171417 394076590 /nfs/dbraw/zinc/07/65/90/394076590.db2.gz GWRAGJIWTDSRLB-JTQLQIEISA-N 0 0 285.771 2.819 20 10 CFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCF)ccc21 ZINC000281929879 394096287 /nfs/dbraw/zinc/09/62/87/394096287.db2.gz WQJMDLBSBIRFDI-UHFFFAOYSA-N 0 0 292.354 2.604 20 10 CFCDRN C[C@@H]1C[C@@H](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272562158 394030728 /nfs/dbraw/zinc/03/07/28/394030728.db2.gz CCRHVDFFPSMDPT-SJCWFQRBSA-N 0 0 275.348 2.758 20 10 CFCDRN C[C@H]([NH2+]CCc1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273444122 394034699 /nfs/dbraw/zinc/03/46/99/394034699.db2.gz ZLIMYMZMVIPLNT-NSHDSACASA-N 0 0 287.319 2.589 20 10 CFCDRN CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc(Cl)c1[O-] ZINC000287673477 394208390 /nfs/dbraw/zinc/20/83/90/394208390.db2.gz MGRPFUOOGIEVAR-GFCCVEGCSA-N 0 0 294.786 2.756 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)CCO)c1cccc(Cl)c1[O-] ZINC000287726607 394208767 /nfs/dbraw/zinc/20/87/67/394208767.db2.gz OXUXHHQJAAVGOA-JOYOIKCWSA-N 0 0 257.761 2.857 20 10 CFCDRN Cc1noc([C@@H]2CCCN2Cc2cccc(F)c2O)n1 ZINC000289690433 394220930 /nfs/dbraw/zinc/22/09/30/394220930.db2.gz FLBYLUCGXPNRQB-LBPRGKRZSA-N 0 0 277.299 2.560 20 10 CFCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccncc1 ZINC000493609111 394289473 /nfs/dbraw/zinc/28/94/73/394289473.db2.gz GREJDLLNLZJVCX-AATRIKPKSA-N 0 0 253.305 2.543 20 10 CFCDRN CCCCO[C@H](C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372246495 394308689 /nfs/dbraw/zinc/30/86/89/394308689.db2.gz DQYWNMMDYNFTQF-CYBMUJFWSA-N 0 0 290.407 2.500 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000297031083 394313096 /nfs/dbraw/zinc/31/30/96/394313096.db2.gz BPBQVCOURMHCOJ-STQMWFEESA-N 0 0 287.407 2.619 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(Cl)nn2)s1 ZINC000155658235 394320619 /nfs/dbraw/zinc/32/06/19/394320619.db2.gz KQPPRLBJHISQPN-ZZXKWVIFSA-N 0 0 294.767 2.571 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000172691008 394373615 /nfs/dbraw/zinc/37/36/15/394373615.db2.gz PSQUKSWIYLWZIZ-CYBMUJFWSA-N 0 0 285.391 2.661 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cncnc1 ZINC000291553839 286388925 /nfs/dbraw/zinc/38/89/25/286388925.db2.gz MLZIURRMTAYUCB-UHFFFAOYSA-N 0 0 269.348 2.828 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(Cl)c1[O-] ZINC000286961093 286923033 /nfs/dbraw/zinc/92/30/33/286923033.db2.gz NEECHUVDMBRLKX-JOYOIKCWSA-N 0 0 257.761 2.857 20 10 CFCDRN COc1cc(C(=O)Nc2ccc(N)cc2)ccc1C ZINC000019281904 170772194 /nfs/dbraw/zinc/77/21/94/170772194.db2.gz QOJTYPKFJMSBOY-UHFFFAOYSA-N 0 0 256.305 2.838 20 10 CFCDRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000022210025 171373151 /nfs/dbraw/zinc/37/31/51/171373151.db2.gz RFNOQEGCWDIPKL-SNVBAGLBSA-N 0 0 274.295 2.814 20 10 CFCDRN CS[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000032665911 171743520 /nfs/dbraw/zinc/74/35/20/171743520.db2.gz YVHCZJWBMUXCIR-GFCCVEGCSA-N 0 0 278.421 2.655 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccncc1 ZINC000346896125 225951460 /nfs/dbraw/zinc/95/14/60/225951460.db2.gz RQDPIIXYEITRDN-UHFFFAOYSA-N 0 0 294.358 2.625 20 10 CFCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000348635023 226503843 /nfs/dbraw/zinc/50/38/43/226503843.db2.gz LASHVRCRASZEJD-UHFFFAOYSA-N 0 0 283.331 2.713 20 10 CFCDRN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(O)c1O ZINC000364309571 292603678 /nfs/dbraw/zinc/60/36/78/292603678.db2.gz QCJMKJLCAKWNBR-ZDUSSCGKSA-N 0 0 299.326 2.660 20 10 CFCDRN COCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187686914 292625791 /nfs/dbraw/zinc/62/57/91/292625791.db2.gz HLTBUFMZAGTXAO-RKDXNWHRSA-N 0 0 259.296 2.746 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc[nH]1 ZINC000352112949 228183925 /nfs/dbraw/zinc/18/39/25/228183925.db2.gz XSNZPPPMPLXRLG-UHFFFAOYSA-N 0 0 267.332 2.745 20 10 CFCDRN COc1ccccc1CCC(=O)NCCc1ccc(N)cc1 ZINC000152493825 261064994 /nfs/dbraw/zinc/06/49/94/261064994.db2.gz FUXLBGGEPISCBO-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367738660 267114501 /nfs/dbraw/zinc/11/45/01/267114501.db2.gz BRXSQNLMCKRPIB-DGCLKSJQSA-N 0 0 281.783 2.904 20 10 CFCDRN C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)cccc2Cl)C1 ZINC000368134237 267147186 /nfs/dbraw/zinc/14/71/86/267147186.db2.gz LLPMLSGQUXHGMR-WFASDCNBSA-N 0 0 294.826 2.962 20 10 CFCDRN Nc1ccc(NC(=O)c2cc3c(s2)CCOC3)cc1 ZINC000371290960 267383262 /nfs/dbraw/zinc/38/32/62/267383262.db2.gz WWPPFGYCQLLLSU-UHFFFAOYSA-N 0 0 274.345 2.655 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3CCC(C)(C)C3)ccc21 ZINC000372465648 267568844 /nfs/dbraw/zinc/56/88/44/267568844.db2.gz NFRAVGGDBSWOMG-UHFFFAOYSA-N 0 0 287.407 2.620 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2CCCC23CC3)c1O ZINC000528861539 270676557 /nfs/dbraw/zinc/67/65/57/270676557.db2.gz NKSVIXDSZHTMOY-LBPRGKRZSA-N 0 0 275.348 2.597 20 10 CFCDRN COc1c([O-])c(C[N@H+](CC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000278307514 274090175 /nfs/dbraw/zinc/09/01/75/274090175.db2.gz WNTPALXJFLTDCD-UHFFFAOYSA-N 0 0 294.351 2.929 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005393809 277306727 /nfs/dbraw/zinc/30/67/27/277306727.db2.gz RFFDBKLGIPRZHJ-SOFGYWHQSA-N 0 0 290.319 2.771 20 10 CFCDRN COc1cccc(CN2CCOCc3ccccc32)c1O ZINC000291541158 278010909 /nfs/dbraw/zinc/01/09/09/278010909.db2.gz LIDPVJTVEAZLTP-UHFFFAOYSA-N 0 0 285.343 2.938 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC[C@H]2C)c1O ZINC000362235276 278243917 /nfs/dbraw/zinc/24/39/17/278243917.db2.gz KCAPQKVHGHMZFX-SNVBAGLBSA-N 0 0 297.782 2.859 20 10 CFCDRN CC[C@H]([NH2+]CC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000287631302 288036216 /nfs/dbraw/zinc/03/62/16/288036216.db2.gz KJPIPQJFTTYLQN-NSHDSACASA-N 0 0 257.761 2.857 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000246207307 279336020 /nfs/dbraw/zinc/33/60/20/279336020.db2.gz NIAJWIUCUCSRRX-YPMHNXCESA-N 0 0 266.360 2.666 20 10 CFCDRN CC(C)OCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187915700 279670883 /nfs/dbraw/zinc/67/08/83/279670883.db2.gz KSRNSJFGSWTISL-VIFPVBQESA-N 0 0 259.296 2.746 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(F)cc1[O-] ZINC000287621456 280192081 /nfs/dbraw/zinc/19/20/81/280192081.db2.gz SZBJGUIJADASCG-SMDDNHRTSA-N 0 0 294.370 2.583 20 10 CFCDRN CCN(C(=O)/C=C\c1cncs1)c1cccnc1 ZINC000493626813 281283132 /nfs/dbraw/zinc/28/31/32/281283132.db2.gz VRZTZDAVHOBURH-WAYWQWQTSA-N 0 0 259.334 2.604 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276184793 294336042 /nfs/dbraw/zinc/33/60/42/294336042.db2.gz VVRPIDXIJGWSHK-XHNCKOQMSA-N 0 0 259.296 2.744 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(O)c1O ZINC000177660526 301518497 /nfs/dbraw/zinc/51/84/97/301518497.db2.gz SKENYBFRFDTWMU-UWVGGRQHSA-N 0 0 263.337 2.524 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255640038 327002009 /nfs/dbraw/zinc/00/20/09/327002009.db2.gz AURKSWSWFQUBJL-KHPPLWFESA-N 0 0 297.314 2.974 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1F ZINC000159620439 327547139 /nfs/dbraw/zinc/54/71/39/327547139.db2.gz YGHXTHKWQMGUIQ-VMPITWQZSA-N 0 0 286.306 2.906 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000278773044 330120207 /nfs/dbraw/zinc/12/02/07/330120207.db2.gz XZOQXVOIRKSJCB-KWBADKCTSA-N 0 0 253.317 2.607 20 10 CFCDRN CC[C@H]([NH2+]Cc1cnn(CC)n1)c1cccc(Cl)c1[O-] ZINC000527923063 330296067 /nfs/dbraw/zinc/29/60/67/330296067.db2.gz IRDDSHMWARNABW-ZDUSSCGKSA-N 0 0 294.786 2.898 20 10 CFCDRN CC(C)Cn1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001240892430 782095200 /nfs/dbraw/zinc/09/52/00/782095200.db2.gz XBTLYYDHMOCHFF-UHFFFAOYSA-N 0 0 271.364 2.778 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccc1C)c1cccnc1 ZINC000492411471 332396203 /nfs/dbraw/zinc/39/62/03/332396203.db2.gz DKZJWKKDPAVFGQ-SREVYHEPSA-N 0 0 267.332 2.851 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000492467402 332398908 /nfs/dbraw/zinc/39/89/08/332398908.db2.gz YLGIUOWOVWYWAU-VOTSOKGWSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N1CCOc2ccccc21 ZINC000492680873 332409360 /nfs/dbraw/zinc/40/93/60/332409360.db2.gz MXDHBNYYULMVSF-SREVYHEPSA-N 0 0 286.356 2.890 20 10 CFCDRN CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1ccn(C)n1 ZINC000492692076 332409898 /nfs/dbraw/zinc/40/98/98/332409898.db2.gz YHIIDKNSTMHNOJ-CMDGGOBGSA-N 0 0 294.358 2.588 20 10 CFCDRN C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492862253 332416543 /nfs/dbraw/zinc/41/65/43/332416543.db2.gz QTMQRMCGUQKPDV-XUIVZRPNSA-N 0 0 253.305 2.573 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC12CC2 ZINC000528994446 333468092 /nfs/dbraw/zinc/46/80/92/333468092.db2.gz BWMCPKTVZIHWMS-WCQYABFASA-N 0 0 289.375 2.725 20 10 CFCDRN C[C@@H]1[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@H]1C1CC1 ZINC000529501711 333491234 /nfs/dbraw/zinc/49/12/34/333491234.db2.gz NMRFEYOCHMAVMJ-VQISRLSMSA-N 0 0 296.370 2.849 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1cccc(OC)c1O ZINC000105650351 520624265 /nfs/dbraw/zinc/62/42/65/520624265.db2.gz GGUDLJYFNMKRKR-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccncn1 ZINC000344097768 533971616 /nfs/dbraw/zinc/97/16/16/533971616.db2.gz VXZKVCFYGCLZHX-UHFFFAOYSA-N 0 0 295.346 2.598 20 10 CFCDRN CC(C)(C)Cc1cc(NC(=O)Cc2ccc(N)cc2)n[nH]1 ZINC000262618386 518698771 /nfs/dbraw/zinc/69/87/71/518698771.db2.gz FCJZFVFQWYDZOO-UHFFFAOYSA-N 0 0 286.379 2.762 20 10 CFCDRN CC(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000282073895 519387306 /nfs/dbraw/zinc/38/73/06/519387306.db2.gz NMWIDHOYTSACSQ-UHFFFAOYSA-N 0 0 290.407 2.859 20 10 CFCDRN CC(C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000086372441 519596838 /nfs/dbraw/zinc/59/68/38/519596838.db2.gz NZERKLHGHXHPEQ-UHFFFAOYSA-N 0 0 275.396 2.619 20 10 CFCDRN CC(C)CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000295580852 519638052 /nfs/dbraw/zinc/63/80/52/519638052.db2.gz WWXCTRULVOXBMB-UHFFFAOYSA-N 0 0 265.353 2.583 20 10 CFCDRN CC(C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299234096 519753585 /nfs/dbraw/zinc/75/35/85/519753585.db2.gz HADGFGYSYLXXSC-UHFFFAOYSA-N 0 0 292.423 2.915 20 10 CFCDRN CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCC1 ZINC000278539874 519846231 /nfs/dbraw/zinc/84/62/31/519846231.db2.gz XBBYCBRCCHOOGZ-UHFFFAOYSA-N 0 0 280.324 2.731 20 10 CFCDRN CCCCCN(CCCOC)C(=O)c1cccc(O)c1O ZINC000193158042 520162988 /nfs/dbraw/zinc/16/29/88/520162988.db2.gz GUOJOCOUARWTGR-UHFFFAOYSA-N 0 0 295.379 2.767 20 10 CFCDRN CCCOc1ccc(CNc2nnc3ccccn32)c(O)c1 ZINC000157151885 520376587 /nfs/dbraw/zinc/37/65/87/520376587.db2.gz VREHNIVCUYSQPE-UHFFFAOYSA-N 0 0 298.346 2.836 20 10 CFCDRN CCCCNC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178193915 520624135 /nfs/dbraw/zinc/62/41/35/520624135.db2.gz KRJJBFDBPFPEIN-UHFFFAOYSA-N 0 0 276.380 2.582 20 10 CFCDRN CCCCOCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174518979 520739028 /nfs/dbraw/zinc/73/90/28/520739028.db2.gz IZVHQVSZWGNJLQ-UHFFFAOYSA-N 0 0 291.391 2.704 20 10 CFCDRN CC1=CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000366713683 520855966 /nfs/dbraw/zinc/85/59/66/520855966.db2.gz MGMAOXFQCRKUER-UHFFFAOYSA-N 0 0 285.391 2.541 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ncc[nH]2)cc1 ZINC000070939341 520908982 /nfs/dbraw/zinc/90/89/82/520908982.db2.gz RDZBSBWEIFLUJX-UHFFFAOYSA-N 0 0 258.369 2.546 20 10 CFCDRN CCN(C[C@H](O)COCC(C)C)c1ccc(OC)cc1 ZINC000269659891 521262505 /nfs/dbraw/zinc/26/25/05/521262505.db2.gz XKFJTADLALSSTD-HNNXBMFYSA-N 0 0 281.396 2.555 20 10 CFCDRN CCCc1nc(COc2ccc(N(C)C)cc2)no1 ZINC000277847374 521521981 /nfs/dbraw/zinc/52/19/81/521521981.db2.gz NAZLFTVSLSNKHJ-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN CCC1(C(=O)NCc2cccc(OC)c2O)CCCC1 ZINC000155614209 521668562 /nfs/dbraw/zinc/66/85/62/521668562.db2.gz CMNPQDMCGWCXHG-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCCOC ZINC000066096268 521687588 /nfs/dbraw/zinc/68/75/88/521687588.db2.gz AWADEQRYBULYMH-UHFFFAOYSA-N 0 0 265.353 2.557 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCO1 ZINC000156542766 521689257 /nfs/dbraw/zinc/68/92/57/521689257.db2.gz VFGZCXMJAQTNPO-HNNXBMFYSA-N 0 0 277.364 2.700 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)on1 ZINC000077613835 521689607 /nfs/dbraw/zinc/68/96/07/521689607.db2.gz WQJNLWQJPCSAGQ-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000278149385 521868313 /nfs/dbraw/zinc/86/83/13/521868313.db2.gz CCQXQHSETHGLSJ-UHFFFAOYSA-N 0 0 280.324 2.683 20 10 CFCDRN COc1c([O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278284286 521874343 /nfs/dbraw/zinc/87/43/43/521874343.db2.gz UDYROEFNIPYDDO-GHMZBOCLSA-N 0 0 292.335 2.541 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278884619 521879608 /nfs/dbraw/zinc/87/96/08/521879608.db2.gz OPBMVFNIVUIUKF-ZYHUDNBSSA-N 0 0 294.351 2.977 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)NC2CCC2)C2CC2)cc1 ZINC000265797798 522164181 /nfs/dbraw/zinc/16/41/81/522164181.db2.gz MTHVUBLAIQETHU-UHFFFAOYSA-N 0 0 287.407 2.979 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCCCO2)cc1 ZINC000087024009 522166161 /nfs/dbraw/zinc/16/61/61/522166161.db2.gz BGQUIHITQNLJCG-MRXNPFEDSA-N 0 0 290.407 2.670 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC(C)(C)O2)cc1 ZINC000279642795 522168201 /nfs/dbraw/zinc/16/82/01/522168201.db2.gz AWUGPQMQVSWMGZ-OAHLLOKOSA-N 0 0 290.407 2.669 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CCC(F)(F)F)cc1 ZINC000079319043 522188104 /nfs/dbraw/zinc/18/81/04/522188104.db2.gz JPWILBLVDOVRID-UHFFFAOYSA-N 0 0 274.286 2.711 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)CCC2CC2)cc1 ZINC000163547795 522193748 /nfs/dbraw/zinc/19/37/48/522193748.db2.gz MZNCIGVFFWNFQP-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(CCF)CC1 ZINC000291517011 522252701 /nfs/dbraw/zinc/25/27/01/522252701.db2.gz PTKQHHIVAVUMRN-UHFFFAOYSA-N 0 0 292.354 2.618 20 10 CFCDRN COC(=O)c1cnc(SCCOC2CCC2)s1 ZINC000295263642 522341527 /nfs/dbraw/zinc/34/15/27/522341527.db2.gz IYKPBBUNQXWTOR-UHFFFAOYSA-N 0 0 273.379 2.591 20 10 CFCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1nccs1 ZINC000080254027 522402953 /nfs/dbraw/zinc/40/29/53/522402953.db2.gz XBIRZDGIRRLRAR-LBPRGKRZSA-N 0 0 275.377 2.535 20 10 CFCDRN COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccn1 ZINC000062748553 522475439 /nfs/dbraw/zinc/47/54/39/522475439.db2.gz GWXMYXFHFUSYRM-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN COc1cc(Cl)cc(CN2CCCc3n[nH]cc32)c1O ZINC000291449331 522535398 /nfs/dbraw/zinc/53/53/98/522535398.db2.gz CJMSNMMOQNOAGL-UHFFFAOYSA-N 0 0 293.754 2.730 20 10 CFCDRN CC[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285989031 522602956 /nfs/dbraw/zinc/60/29/56/522602956.db2.gz HZXQZVVAPMJAJF-AWEZNQCLSA-N 0 0 277.343 2.548 20 10 CFCDRN CC[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000299386492 523019851 /nfs/dbraw/zinc/01/98/51/523019851.db2.gz ZJSCFWNFHFGQFO-OAHLLOKOSA-N 0 0 278.396 2.574 20 10 CFCDRN COCCC1(CNC(=O)Cc2ccc(N)cc2)CCCC1 ZINC000237164614 523033464 /nfs/dbraw/zinc/03/34/64/523033464.db2.gz XTFFKNLVPMIZET-UHFFFAOYSA-N 0 0 290.407 2.524 20 10 CFCDRN CC[C@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272592231 523143625 /nfs/dbraw/zinc/14/36/25/523143625.db2.gz GBQPJYVWFWWOSJ-BPDPDCLSSA-N 0 0 275.348 2.806 20 10 CFCDRN COC(=O)COc1ccc(N(C)CC2CC(F)(F)C2)cc1 ZINC000295008764 523223490 /nfs/dbraw/zinc/22/34/90/523223490.db2.gz OYJFNRMJILFESX-UHFFFAOYSA-N 0 0 299.317 2.720 20 10 CFCDRN CC[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000085068652 523298929 /nfs/dbraw/zinc/29/89/29/523298929.db2.gz WOMDNSXNASAJIE-DOMZBBRYSA-N 0 0 260.381 2.896 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1Cc2ccccc2C1 ZINC000277707240 523377497 /nfs/dbraw/zinc/37/74/97/523377497.db2.gz RBFFHDQZGVNMGC-UHFFFAOYSA-N 0 0 281.355 2.766 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@H](O)CC(C)(C)C ZINC000292202933 523379734 /nfs/dbraw/zinc/37/97/34/523379734.db2.gz PLGOYCRMHDDRRB-ZDUSSCGKSA-N 0 0 279.380 2.538 20 10 CFCDRN COC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(OC)ccc1O ZINC000036980810 523895428 /nfs/dbraw/zinc/89/54/28/523895428.db2.gz GPZOZABKGOEVMV-RISCZKNCSA-N 0 0 295.379 2.639 20 10 CFCDRN CO[C@H]1CCC[C@@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000279955079 523975879 /nfs/dbraw/zinc/97/58/79/523975879.db2.gz PGULDNYKDQDEEA-HIFRSBDPSA-N 0 0 291.391 2.946 20 10 CFCDRN CO[C@H]1CCC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000280044610 523976242 /nfs/dbraw/zinc/97/62/42/523976242.db2.gz VTTZJUXIRVSVNB-OCCSQVGLSA-N 0 0 277.364 2.604 20 10 CFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000263719020 524252403 /nfs/dbraw/zinc/25/24/03/524252403.db2.gz PRULGLRZXVJONU-AWEZNQCLSA-N 0 0 287.407 2.838 20 10 CFCDRN COc1ccc(N(CCn2cncn2)[C@H](C)C2CC2)cc1 ZINC000264711256 524366998 /nfs/dbraw/zinc/36/69/98/524366998.db2.gz MFRGGKRCBNCTME-CYBMUJFWSA-N 0 0 286.379 2.592 20 10 CFCDRN COc1ccc(N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 ZINC000073787267 524367518 /nfs/dbraw/zinc/36/75/18/524367518.db2.gz BPIVNBJLMPOLBR-IAGOWNOFSA-N 0 0 291.391 2.860 20 10 CFCDRN COc1ccc(N(Cc2nnc(C)o2)C(C)C)cc1F ZINC000101567501 524370136 /nfs/dbraw/zinc/37/01/36/524370136.db2.gz RRUMJFLWINZZMN-UHFFFAOYSA-N 0 0 279.315 2.941 20 10 CFCDRN COc1ccc(N(Cc2cnn(C)n2)[C@H](C)C2CC2)cc1 ZINC000289446994 524370579 /nfs/dbraw/zinc/37/05/79/524370579.db2.gz ZQKSPYBHVOFNAQ-GFCCVEGCSA-N 0 0 286.379 2.629 20 10 CFCDRN COc1ccc(N(Cc2cnn(C)n2)[C@@H](C)C2CC2)cc1 ZINC000289446997 524370844 /nfs/dbraw/zinc/37/08/44/524370844.db2.gz ZQKSPYBHVOFNAQ-LBPRGKRZSA-N 0 0 286.379 2.629 20 10 CFCDRN Cc1cccc(CN2CCOC[C@@H]2CC(F)F)c1O ZINC000289691859 524402753 /nfs/dbraw/zinc/40/27/53/524402753.db2.gz OIMBKMUWQDYCFC-LBPRGKRZSA-N 0 0 271.307 2.557 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627497 524404778 /nfs/dbraw/zinc/40/47/78/524404778.db2.gz SBRKVQAWAKWQJN-BDAKNGLRSA-N 0 0 267.300 2.545 20 10 CFCDRN Cc1cccc(CN2C[C@@H](O)Cc3ccccc32)c1O ZINC000279388309 524410558 /nfs/dbraw/zinc/41/05/58/524410558.db2.gz JXJIZNRIGAEHMT-HNNXBMFYSA-N 0 0 269.344 2.624 20 10 CFCDRN C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192721283 524567019 /nfs/dbraw/zinc/56/70/19/524567019.db2.gz OTHFDRWYCVMLRJ-RNFRBKRXSA-N 0 0 264.152 2.730 20 10 CFCDRN C[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1cccs1 ZINC000161091329 524657053 /nfs/dbraw/zinc/65/70/53/524657053.db2.gz DIRNUCLTJKWQLP-GFCCVEGCSA-N 0 0 288.416 2.868 20 10 CFCDRN COc1ccc(O)c(CN2CCC=C(Br)C2)c1 ZINC000282217939 524736362 /nfs/dbraw/zinc/73/63/62/524736362.db2.gz HTTKGVQUMIVMNS-UHFFFAOYSA-N 0 0 298.180 2.885 20 10 CFCDRN C[C@H](Cc1cccs1)NC(=O)NCc1ccccc1O ZINC000299478148 524750873 /nfs/dbraw/zinc/75/08/73/524750873.db2.gz GAJMNQPWMYMUMP-LLVKDONJSA-N 0 0 290.388 2.884 20 10 CFCDRN COc1ccc(O)c(CNc2cc(Cl)nc(C)n2)c1 ZINC000301285632 524755891 /nfs/dbraw/zinc/75/58/91/524755891.db2.gz OEVFMPPNRZZLQE-UHFFFAOYSA-N 0 0 279.727 2.765 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3nccnc3n2)c1 ZINC000301242562 524769965 /nfs/dbraw/zinc/76/99/65/524769965.db2.gz OTRPNIZWQXAEHS-SNVBAGLBSA-N 0 0 296.330 2.912 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2nccc(C)n2)c1 ZINC000301274911 524774642 /nfs/dbraw/zinc/77/46/42/524774642.db2.gz LMQDXGSXKKZQSL-JTQLQIEISA-N 0 0 259.309 2.672 20 10 CFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2CCCC[C@@H]21 ZINC000193158854 524872662 /nfs/dbraw/zinc/87/26/62/524872662.db2.gz IAZJHZVAALKZGK-NQBHXWOUSA-N 0 0 275.348 2.749 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000285501037 524893871 /nfs/dbraw/zinc/89/38/71/524893871.db2.gz AUYROXOHEGNJQP-MBNYWOFBSA-N 0 0 289.375 2.747 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000224919682 524928013 /nfs/dbraw/zinc/92/80/13/524928013.db2.gz YNWAQQAEIJYVKC-GXSJLCMTSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000277531711 525136540 /nfs/dbraw/zinc/13/65/40/525136540.db2.gz PXOPCVYQFSGKFW-SKDRFNHKSA-N 0 0 255.745 2.560 20 10 CFCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271854687 525242121 /nfs/dbraw/zinc/24/21/21/525242121.db2.gz UQOWEYWFGPPDIL-MNOVXSKESA-N 0 0 269.772 2.950 20 10 CFCDRN Cc1cc(NS(=O)(=O)CCC2CC2)c(C)c(C)c1O ZINC000274837275 525284727 /nfs/dbraw/zinc/28/47/27/525284727.db2.gz VMZDATCQRUZHAF-UHFFFAOYSA-N 0 0 283.393 2.859 20 10 CFCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cccc(O)c2O)C1 ZINC000193162373 525293456 /nfs/dbraw/zinc/29/34/56/525293456.db2.gz MVRIXIFCHUFARA-RISCZKNCSA-N 0 0 298.342 2.716 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000062745804 525380443 /nfs/dbraw/zinc/38/04/43/525380443.db2.gz ZUDUZFNMJYSZHL-MEDUHNTESA-N 0 0 275.323 2.916 20 10 CFCDRN CSCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186404925 525403438 /nfs/dbraw/zinc/40/34/38/525403438.db2.gz NBHVGKOGNPQAGQ-NSHDSACASA-N 0 0 297.420 2.678 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(F)c1[O-] ZINC000276928789 525416173 /nfs/dbraw/zinc/41/61/73/525416173.db2.gz NTUNQBGEXRBQGS-VHSXEESVSA-N 0 0 271.307 2.748 20 10 CFCDRN C[C@@H]([NH2+]CCc1cccnc1)c1ccc(F)c(F)c1[O-] ZINC000191197903 525464664 /nfs/dbraw/zinc/46/46/64/525464664.db2.gz AIMXUFCIEGVOKT-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000280109338 525504324 /nfs/dbraw/zinc/50/43/24/525504324.db2.gz OUCLCJQBOWKAJW-NXEZZACHSA-N 0 0 282.365 2.704 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000063219060 525541082 /nfs/dbraw/zinc/54/10/82/525541082.db2.gz QWNKQWVQRIHHPO-SWLSCSKDSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000276881348 525570707 /nfs/dbraw/zinc/57/07/07/525570707.db2.gz GDBRDPLWDDEMNB-GDLCADMTSA-N 0 0 296.361 2.948 20 10 CFCDRN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ncnn1C ZINC000276684053 525603941 /nfs/dbraw/zinc/60/39/41/525603941.db2.gz TYTAKOJDBWCPLZ-DTWKUNHWSA-N 0 0 280.759 2.586 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(F)c(F)c1[O-] ZINC000191200946 525655196 /nfs/dbraw/zinc/65/51/96/525655196.db2.gz SERYWVZPVHGMQM-LNLATYFQSA-N 0 0 271.307 2.889 20 10 CFCDRN Cc1cc[nH]c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000280588761 525707666 /nfs/dbraw/zinc/70/76/66/525707666.db2.gz NOHZJSPJIDCIMC-UHFFFAOYSA-N 0 0 283.375 2.853 20 10 CFCDRN C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(N(C)C)cc1 ZINC000302435340 525723269 /nfs/dbraw/zinc/72/32/69/525723269.db2.gz QMJOPEDVQFRZHU-SECBINFHSA-N 0 0 292.770 2.662 20 10 CFCDRN CS[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000156044413 525865988 /nfs/dbraw/zinc/86/59/88/525865988.db2.gz UJFKROJIZLILMJ-LLVKDONJSA-N 0 0 266.410 2.510 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCCC2(C)C)c1O ZINC000079131220 525991424 /nfs/dbraw/zinc/99/14/24/525991424.db2.gz IOMVHRIWTPCKIP-ZDUSSCGKSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C)c1O ZINC000073440313 525991436 /nfs/dbraw/zinc/99/14/36/525991436.db2.gz FKODSEDSVFAUMN-YPMHNXCESA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccs1 ZINC000156712543 526055721 /nfs/dbraw/zinc/05/57/21/526055721.db2.gz SBYVNBFGTCCLJT-JTQLQIEISA-N 0 0 291.372 2.622 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c(O)c1O ZINC000365009705 526100247 /nfs/dbraw/zinc/10/02/47/526100247.db2.gz HZATUAOPENKRCP-CQSZACIVSA-N 0 0 298.342 2.779 20 10 CFCDRN Cc1ccc(C(=O)N2CCc3cccc(C)c3C2)c(O)c1O ZINC000277187002 526133109 /nfs/dbraw/zinc/13/31/09/526133109.db2.gz BHIJGGFUWUKUSV-UHFFFAOYSA-N 0 0 297.354 2.913 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3ncc(C)cc32)c1 ZINC000126683155 526174742 /nfs/dbraw/zinc/17/47/42/526174742.db2.gz GYSQTHBXYLKWRU-ONEGZZNKSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1cnn([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC000290929619 526267168 /nfs/dbraw/zinc/26/71/68/526267168.db2.gz OUMDJTZENBDYCK-CYBMUJFWSA-N 0 0 291.782 2.998 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245642678 526326799 /nfs/dbraw/zinc/32/67/99/526326799.db2.gz DXKBGRQLWXVTTA-OLZOCXBDSA-N 0 0 299.823 2.752 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[N@@H+](C2CC2)CC1 ZINC000191288785 526344714 /nfs/dbraw/zinc/34/47/14/526344714.db2.gz SIBCALIWDXLSID-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC2 ZINC000122219978 526408710 /nfs/dbraw/zinc/40/87/10/526408710.db2.gz SEKCHOKWQAQTTA-UHFFFAOYSA-N 0 0 297.354 2.559 20 10 CFCDRN O=C(CCCC1CCOCC1)NCc1ccccc1O ZINC000282707980 526420925 /nfs/dbraw/zinc/42/09/25/526420925.db2.gz KYOQQEPKRKQEPA-UHFFFAOYSA-N 0 0 277.364 2.605 20 10 CFCDRN Cc1nnc(CN(C)c2ccc(OC(C)C)cc2)[nH]1 ZINC000292998657 526524050 /nfs/dbraw/zinc/52/40/50/526524050.db2.gz YXPHSTSQTXLEMD-UHFFFAOYSA-N 0 0 260.341 2.537 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccncc1 ZINC000075159893 526636325 /nfs/dbraw/zinc/63/63/25/526636325.db2.gz IHYXKALXCSODNM-UHFFFAOYSA-N 0 0 282.343 2.596 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2c(s1)CCC2 ZINC000159114289 526686683 /nfs/dbraw/zinc/68/66/83/526686683.db2.gz YLATVKHGAOHVAQ-UHFFFAOYSA-N 0 0 289.356 2.578 20 10 CFCDRN Cc1nc(NCc2c(C)c3ccccc3n2C)nn1C ZINC000291924659 526998402 /nfs/dbraw/zinc/99/84/02/526998402.db2.gz NQYOULOCBWAEGO-UHFFFAOYSA-N 0 0 269.352 2.536 20 10 CFCDRN O=C(N[C@H]1CC12CCCCC2)c1cccc(O)c1O ZINC000193152001 527017387 /nfs/dbraw/zinc/01/73/87/527017387.db2.gz AFJVGLFLCAZFLV-LBPRGKRZSA-N 0 0 261.321 2.550 20 10 CFCDRN O=C(C[C@H]1OCCc2ccccc21)NCc1ccccc1O ZINC000265208386 527182723 /nfs/dbraw/zinc/18/27/23/527182723.db2.gz TWJLXBCFRHMLGX-QGZVFWFLSA-N 0 0 297.354 2.713 20 10 CFCDRN Nc1ccc(CCNC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000127548848 527478950 /nfs/dbraw/zinc/47/89/50/527478950.db2.gz ABEIMQLLPASTNW-UHFFFAOYSA-N 0 0 298.430 3.000 20 10 CFCDRN OCCN(Cc1ccc(N2CCCCC2)cc1)CC(F)F ZINC000193027115 527549537 /nfs/dbraw/zinc/54/95/37/527549537.db2.gz YHMGZBGLBWPQLH-UHFFFAOYSA-N 0 0 298.377 2.736 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000364935208 527623095 /nfs/dbraw/zinc/62/30/95/527623095.db2.gz PWLUJKUSZHBZNA-WBMJQRKESA-N 0 0 287.334 2.842 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1(C)CC1 ZINC000935312000 649897049 /nfs/dbraw/zinc/89/70/49/649897049.db2.gz UPGAAFPIWKGDAU-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2O)c1 ZINC000730281759 574070184 /nfs/dbraw/zinc/07/01/84/574070184.db2.gz VAPQJCXNDNUEPF-JKSUJKDBSA-N 0 0 297.354 2.821 20 10 CFCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCC1 ZINC000754232537 574083125 /nfs/dbraw/zinc/08/31/25/574083125.db2.gz FHQXLCFYYDQUJV-UHFFFAOYSA-N 0 0 290.407 2.636 20 10 CFCDRN Cc1cc(C(=O)OCc2ccon2)c(C)n1-c1ccccn1 ZINC000744692579 574083923 /nfs/dbraw/zinc/08/39/23/574083923.db2.gz PUUVZFVUHIBINT-UHFFFAOYSA-N 0 0 297.314 2.834 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCO2)cc1 ZINC000728223215 574087353 /nfs/dbraw/zinc/08/73/53/574087353.db2.gz WKHAMHSKIUCREL-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1C[C@H]1C ZINC000754120259 574090775 /nfs/dbraw/zinc/09/07/75/574090775.db2.gz BLCMBTZJMAFZRD-MNOVXSKESA-N 0 0 297.782 2.677 20 10 CFCDRN CC[C@@H](C)c1nnc([C@H](C)NC(=O)C2=CC(=O)CS2)[nH]1 ZINC000754425935 574095570 /nfs/dbraw/zinc/09/55/70/574095570.db2.gz NPBYQRUPQSWSBM-SFYZADRCSA-N 0 0 294.380 2.576 20 10 CFCDRN Cc1cc(C)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000728697521 574104876 /nfs/dbraw/zinc/10/48/76/574104876.db2.gz QUIQLIIEGUCDFB-LFIBNONCSA-N 0 0 292.338 2.765 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C(C)(C)CC(=O)[O-])cc1 ZINC000737094477 574110963 /nfs/dbraw/zinc/11/09/63/574110963.db2.gz RFTYWJDJIBTWMF-UHFFFAOYSA-N 0 0 278.396 2.876 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]C2CCC(C(=O)[O-])CC2)c1 ZINC000737203639 574118281 /nfs/dbraw/zinc/11/82/81/574118281.db2.gz PPPQMJCZVOZLRF-UHFFFAOYSA-N 0 0 293.363 2.524 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)C1=CC(=O)CS1 ZINC000731870226 574131279 /nfs/dbraw/zinc/13/12/79/574131279.db2.gz VNIFANXQKKWLDC-ZYHUDNBSSA-N 0 0 283.393 2.779 20 10 CFCDRN Cc1ccccc1OCCN(C)C(=O)C1=CC(=O)CS1 ZINC000731864746 574131398 /nfs/dbraw/zinc/13/13/98/574131398.db2.gz BYHRBHJJBFBTOZ-UHFFFAOYSA-N 0 0 291.372 2.913 20 10 CFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)c1ccccc1 ZINC000731912184 574133855 /nfs/dbraw/zinc/13/38/55/574133855.db2.gz PZIDZRRPBMUQJP-SECBINFHSA-N 0 0 276.313 2.882 20 10 CFCDRN CCN(Cc1noc(C2CC2)n1)c1ccc(OC)cc1 ZINC000746107780 574134446 /nfs/dbraw/zinc/13/44/46/574134446.db2.gz POMIXOPOYAFPLI-UHFFFAOYSA-N 0 0 273.336 2.982 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ncnc3c2CCC3)c1 ZINC000728909025 574136453 /nfs/dbraw/zinc/13/64/53/574136453.db2.gz JRYPECUQRRSVIA-JTQLQIEISA-N 0 0 285.347 2.853 20 10 CFCDRN CC(C)(C)NC(=S)NCc1ccc(N2CC=CC2)cc1 ZINC000740633756 574139273 /nfs/dbraw/zinc/13/92/73/574139273.db2.gz ZOILLQWKQOUUBG-UHFFFAOYSA-N 0 0 289.448 2.825 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCOC1 ZINC000755187809 574145286 /nfs/dbraw/zinc/14/52/86/574145286.db2.gz IPMSMXMBEQQLFQ-KRWDZBQOSA-N 0 0 290.407 2.528 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000746319221 574145638 /nfs/dbraw/zinc/14/56/38/574145638.db2.gz FAKYKTUWDUFBIO-KRWDZBQOSA-N 0 0 296.370 2.881 20 10 CFCDRN COC(=O)CN(CC=C(C)C)Cc1cc(Cl)ccc1O ZINC000732203086 574146304 /nfs/dbraw/zinc/14/63/04/574146304.db2.gz OISVEVWKUAHLMD-UHFFFAOYSA-N 0 0 297.782 2.987 20 10 CFCDRN CC(=O)Nc1cc(NC(=O)C2=CC(=O)CS2)ccc1F ZINC000732266911 574147965 /nfs/dbraw/zinc/14/79/65/574147965.db2.gz PPJWPHLPHXSVPD-UHFFFAOYSA-N 0 0 294.307 2.804 20 10 CFCDRN Cc1cc(CNC(=O)C2=CC(=O)CS2)ccc1F ZINC000732263826 574148074 /nfs/dbraw/zinc/14/80/74/574148074.db2.gz VUFBTKJHGRIEEZ-UHFFFAOYSA-N 0 0 265.309 2.831 20 10 CFCDRN CN(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccsc1 ZINC000732270109 574148688 /nfs/dbraw/zinc/14/86/88/574148688.db2.gz ZXFUSBDUYIRWCK-LLVKDONJSA-N 0 0 296.417 2.548 20 10 CFCDRN CC(C)(C)n1cc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000732278727 574149582 /nfs/dbraw/zinc/14/95/82/574149582.db2.gz UKTAFUUIIFOEIH-UHFFFAOYSA-N 0 0 265.338 2.658 20 10 CFCDRN COCCN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732258136 574149616 /nfs/dbraw/zinc/14/96/16/574149616.db2.gz FYULLGLTVBQUCD-UHFFFAOYSA-N 0 0 291.372 2.743 20 10 CFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(O)c1 ZINC000732281756 574150238 /nfs/dbraw/zinc/15/02/38/574150238.db2.gz CGHNXAOGVHWFSK-QMMMGPOBSA-N 0 0 263.318 2.650 20 10 CFCDRN CCCN(C[C@@H]1CCCCO1)C(=O)C1=CC(=O)CS1 ZINC000732288576 574150446 /nfs/dbraw/zinc/15/04/46/574150446.db2.gz DJQBYZFPCBGRFQ-LBPRGKRZSA-N 0 0 283.393 2.875 20 10 CFCDRN CN(C(=O)CSc1ccc(O)cc1)c1ccc(N)cc1 ZINC000746477447 574150837 /nfs/dbraw/zinc/15/08/37/574150837.db2.gz LQKLYRJRPSCMLH-UHFFFAOYSA-N 0 0 288.372 2.730 20 10 CFCDRN O=C(OCc1cccnc1Cl)C1=CC(=O)CS1 ZINC000732353208 574152892 /nfs/dbraw/zinc/15/28/92/574152892.db2.gz NZACPESOGLIJEC-UHFFFAOYSA-N 0 0 269.709 2.859 20 10 CFCDRN O=C(OCc1noc2c1CCCC2)C1=CC(=O)CS1 ZINC000732354959 574153210 /nfs/dbraw/zinc/15/32/10/574153210.db2.gz XQPBMMPXWPNHKP-UHFFFAOYSA-N 0 0 279.317 2.678 20 10 CFCDRN CCN(CC(=O)N1CCCC[C@H]1C)c1ccc(OC)cc1 ZINC000746664139 574161305 /nfs/dbraw/zinc/16/13/05/574161305.db2.gz XSFMWPDOSGWACB-CQSZACIVSA-N 0 0 290.407 2.923 20 10 CFCDRN Cc1cccc(C)c1NCC(=O)NCc1ccccc1O ZINC000746688252 574163310 /nfs/dbraw/zinc/16/33/10/574163310.db2.gz BHHIGDKPBMFOOX-UHFFFAOYSA-N 0 0 284.359 2.737 20 10 CFCDRN CC(C)SCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746812648 574166728 /nfs/dbraw/zinc/16/67/28/574166728.db2.gz BDPQWBQDUUKCHF-UHFFFAOYSA-N 0 0 292.448 2.827 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC2(C)C)c1 ZINC000732827317 574174681 /nfs/dbraw/zinc/17/46/81/574174681.db2.gz GWPZUZQUJHAUPE-GHMZBOCLSA-N 0 0 292.379 2.807 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC1(C)C ZINC000732892703 574177130 /nfs/dbraw/zinc/17/71/30/574177130.db2.gz FRXGTVZYLBAVMP-GFCCVEGCSA-N 0 0 262.353 2.580 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747299184 574190493 /nfs/dbraw/zinc/19/04/93/574190493.db2.gz VQVBDHFFXXUAQG-HNNXBMFYSA-N 0 0 272.392 2.949 20 10 CFCDRN Cc1cn2cc(NC(=O)NCc3ccccc3O)ccc2n1 ZINC000738919036 574190691 /nfs/dbraw/zinc/19/06/91/574190691.db2.gz FQSSCTKKUGIKLY-UHFFFAOYSA-N 0 0 296.330 2.670 20 10 CFCDRN CCC/C=C\C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729349669 574202232 /nfs/dbraw/zinc/20/22/32/574202232.db2.gz KXHCRBOEDKDDGS-SREVYHEPSA-N 0 0 264.344 2.864 20 10 CFCDRN COCC(C)(C)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000756104440 574209714 /nfs/dbraw/zinc/20/97/14/574209714.db2.gz YDCPETWWEPLFAS-UHFFFAOYSA-N 0 0 297.395 2.821 20 10 CFCDRN C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000729422489 574214627 /nfs/dbraw/zinc/21/46/27/574214627.db2.gz DBVFQHBOSJVKIM-MEJMFZKBSA-N 0 0 281.359 2.659 20 10 CFCDRN O=C(NCc1ccccc1O)NCc1cc(F)ccc1F ZINC000729606887 574224600 /nfs/dbraw/zinc/22/46/00/574224600.db2.gz TXCUKOLCECMINK-UHFFFAOYSA-N 0 0 292.285 2.670 20 10 CFCDRN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756339291 574226536 /nfs/dbraw/zinc/22/65/36/574226536.db2.gz DGYDDPSHBUXYKE-VIFPVBQESA-N 0 0 272.339 2.661 20 10 CFCDRN Cc1nccn1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756511294 574242832 /nfs/dbraw/zinc/24/28/32/574242832.db2.gz UZKPEMIMMDEHEV-VIFPVBQESA-N 0 0 281.306 2.526 20 10 CFCDRN Cc1ccc(C(=O)OC[C@@H](C)C(F)(F)F)c(O)c1O ZINC000748270325 574244666 /nfs/dbraw/zinc/24/46/66/574244666.db2.gz IIFMWTYXJWVKSB-SSDOTTSWSA-N 0 0 278.226 2.761 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(F)cc(F)c1[O-] ZINC000756557894 574246985 /nfs/dbraw/zinc/24/69/85/574246985.db2.gz XSKAYSDOUGPFNP-PSASIEDQSA-N 0 0 257.280 2.500 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1 ZINC000748349697 574248162 /nfs/dbraw/zinc/24/81/62/574248162.db2.gz JKMOYIVPDVYUQV-UHFFFAOYSA-N 0 0 293.326 2.712 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CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788583 574263345 /nfs/dbraw/zinc/26/33/45/574263345.db2.gz XKBCXJIYTONFIP-UEKVPHQBSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000741083194 574281099 /nfs/dbraw/zinc/28/10/99/574281099.db2.gz MFOPZDCVIOGDBB-NEPJUHHUSA-N 0 0 293.386 2.832 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C(C)C ZINC000734405682 574285488 /nfs/dbraw/zinc/28/54/88/574285488.db2.gz WTHVBWRRZOVVEK-CYBMUJFWSA-N 0 0 262.397 2.969 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cc2c(nn1)CCC2 ZINC000734482057 574288464 /nfs/dbraw/zinc/28/84/64/574288464.db2.gz JFGOXOUAUKIKER-UHFFFAOYSA-N 0 0 282.391 2.952 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000741526774 574295234 /nfs/dbraw/zinc/29/52/34/574295234.db2.gz ZACYOJIFUOYCSE-LBPRGKRZSA-N 0 0 272.348 2.766 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)OC ZINC000749588141 574301096 /nfs/dbraw/zinc/30/10/96/574301096.db2.gz ZYQYVWZNQRMUBL-ZDUSSCGKSA-N 0 0 278.396 2.526 20 10 CFCDRN Cc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000734943167 574307421 /nfs/dbraw/zinc/30/74/21/574307421.db2.gz VCOJXCZEEDPVPL-UHFFFAOYSA-N 0 0 284.359 2.743 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1occc1Br ZINC000735305577 574319691 /nfs/dbraw/zinc/31/96/91/574319691.db2.gz VUSLJKGAULQHQK-ZZXKWVIFSA-N 0 0 290.163 2.531 20 10 CFCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000749999496 574320247 /nfs/dbraw/zinc/32/02/47/574320247.db2.gz HVOXXSGKIOXWCC-UHFFFAOYSA-N 0 0 271.364 2.628 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ccnc(C)n2)c1 ZINC000742402475 574327898 /nfs/dbraw/zinc/32/78/98/574327898.db2.gz QANWEIDAAKZOPQ-VIFPVBQESA-N 0 0 259.309 2.672 20 10 CFCDRN O=C1N[C@@H](c2cccc(O)c2O)Nc2cccc(Cl)c21 ZINC000742445035 574330802 /nfs/dbraw/zinc/33/08/02/574330802.db2.gz NHJVVIVKMXABEG-ZDUSSCGKSA-N 0 0 290.706 2.605 20 10 CFCDRN O=C(/C=C\C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000742537313 574333882 /nfs/dbraw/zinc/33/38/82/574333882.db2.gz WDCGUPGASJOSAI-YFHOEESVSA-N 0 0 270.376 2.869 20 10 CFCDRN CCC[C@@H](O)CC(=O)N(CCC)Cc1ccccc1O ZINC000750424431 574338989 /nfs/dbraw/zinc/33/89/89/574338989.db2.gz ORTKFASLFVODBR-CQSZACIVSA-N 0 0 279.380 2.682 20 10 CFCDRN CC(=O)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742846321 574345831 /nfs/dbraw/zinc/34/58/31/574345831.db2.gz RLUIFULTRCUUIS-UHFFFAOYSA-N 0 0 288.391 2.662 20 10 CFCDRN CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000750689326 574351210 /nfs/dbraw/zinc/35/12/10/574351210.db2.gz JRXDFERKITXUDL-UHFFFAOYSA-N 0 0 285.391 2.956 20 10 CFCDRN CCOc1ccc(CNc2ccc(C(N)=O)cc2)c(O)c1 ZINC000750720474 574352378 /nfs/dbraw/zinc/35/23/78/574352378.db2.gz PVMBGHKBGPWGAA-UHFFFAOYSA-N 0 0 286.331 2.502 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=S)NCc1cccn1C ZINC000743061929 574352938 /nfs/dbraw/zinc/35/29/38/574352938.db2.gz RGUXNEQSERDQDZ-YPMHNXCESA-N 0 0 265.426 2.568 20 10 CFCDRN C[C@H]1CCCC[C@@H]1NC(=S)NCc1cccn1C ZINC000743061926 574352947 /nfs/dbraw/zinc/35/29/47/574352947.db2.gz RGUXNEQSERDQDZ-AAEUAGOBSA-N 0 0 265.426 2.568 20 10 CFCDRN COCCOCCN(CC(C)C)c1ccc(OC)cc1 ZINC000750818686 574356607 /nfs/dbraw/zinc/35/66/07/574356607.db2.gz APABTANCDXRLKQ-UHFFFAOYSA-N 0 0 281.396 2.821 20 10 CFCDRN CCO[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000743630454 574369752 /nfs/dbraw/zinc/36/97/52/574369752.db2.gz TWHXBYNUGJZGQM-RYUDHWBXSA-N 0 0 281.377 2.531 20 10 CFCDRN Cc1cccc(O[C@@H](C)CNC(=O)C2=CC(=O)CS2)c1 ZINC000743712206 574371062 /nfs/dbraw/zinc/37/10/62/574371062.db2.gz NMTPLJXKENEZIV-NSHDSACASA-N 0 0 291.372 2.959 20 10 CFCDRN CCO[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCCC2 ZINC000743790882 574372095 /nfs/dbraw/zinc/37/20/95/574372095.db2.gz OLRCGRPGHXEKMG-CHWSQXEVSA-N 0 0 295.404 2.921 20 10 CFCDRN O=C(C1=COCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000752088569 574387841 /nfs/dbraw/zinc/38/78/41/574387841.db2.gz MGRBRANIMGLDKB-UHFFFAOYSA-N 0 0 299.326 2.818 20 10 CFCDRN COc1cccc(CNC(=O)c2cccnc2C2CC2)c1O ZINC000752597314 574393034 /nfs/dbraw/zinc/39/30/34/574393034.db2.gz VMTWHJXDPNJOKK-UHFFFAOYSA-N 0 0 298.342 2.603 20 10 CFCDRN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000819380961 597045462 /nfs/dbraw/zinc/04/54/62/597045462.db2.gz WCBMXVVTRUDVBB-GFCCVEGCSA-N 0 0 289.375 2.568 20 10 CFCDRN O=C([O-])C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128816341 598151342 /nfs/dbraw/zinc/15/13/42/598151342.db2.gz RESTXYDRPSBQGF-SNVBAGLBSA-N 0 0 283.755 2.732 20 10 CFCDRN C/C(=C\C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000825730025 601219538 /nfs/dbraw/zinc/21/95/38/601219538.db2.gz QDJSNJAGLSKZCC-JLHYYAGUSA-N 0 0 288.391 2.748 20 10 CFCDRN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC000828664986 601431591 /nfs/dbraw/zinc/43/15/91/601431591.db2.gz MYKQDILFWXEBTE-HNNXBMFYSA-N 0 0 265.353 2.737 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C2(CC(=O)[O-])CCCCC2)c1 ZINC000832952775 601562057 /nfs/dbraw/zinc/56/20/57/601562057.db2.gz DAUPRMKZGJLLPH-UHFFFAOYSA-N 0 0 277.364 2.968 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC000935648054 649926165 /nfs/dbraw/zinc/92/61/65/649926165.db2.gz 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/nfs/dbraw/zinc/26/76/89/619267689.db2.gz BBOGAJWMTYNZFE-UHFFFAOYSA-N 0 0 285.347 2.923 20 10 CFCDRN CCC(F)(F)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000832431545 625332079 /nfs/dbraw/zinc/33/20/79/625332079.db2.gz QNBOBOYJELMBFG-SNVBAGLBSA-N 0 0 270.323 2.975 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NCCC2CC2)cc1 ZINC000075457426 619313133 /nfs/dbraw/zinc/31/31/33/619313133.db2.gz JDUQWRODAOFQHK-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN COc1cc(C)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000894351958 619345802 /nfs/dbraw/zinc/34/58/02/619345802.db2.gz MYXKHGOOAJUUDB-CYBMUJFWSA-N 0 0 287.363 2.600 20 10 CFCDRN CC(C)=CCNC(=O)NCc1cccc(Cl)c1O ZINC000894395128 619366530 /nfs/dbraw/zinc/36/65/30/619366530.db2.gz XZYGRTYXIBPFHL-UHFFFAOYSA-N 0 0 268.744 2.811 20 10 CFCDRN CC(C)c1c[nH]c(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000894430057 619382362 /nfs/dbraw/zinc/38/23/62/619382362.db2.gz XXAVGJBIIXXBSH-UHFFFAOYSA-N 0 0 273.336 2.898 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000894461594 619392496 /nfs/dbraw/zinc/39/24/96/619392496.db2.gz IVRCJONBEYQPNM-LBPRGKRZSA-N 0 0 279.290 2.731 20 10 CFCDRN COc1ccc(N(C)Cc2[nH]nc(C)c2C)cc1OC ZINC000894461607 619392671 /nfs/dbraw/zinc/39/26/71/619392671.db2.gz JGKSGFYDNYNCIG-UHFFFAOYSA-N 0 0 275.352 2.680 20 10 CFCDRN COc1cc(C)cc(C[NH2+][C@H](CCO)c2ccco2)c1O ZINC000894476240 619395695 /nfs/dbraw/zinc/39/56/95/619395695.db2.gz WAVHNDKRPYAQGC-CYBMUJFWSA-N 0 0 291.347 2.516 20 10 CFCDRN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894760093 619456771 /nfs/dbraw/zinc/45/67/71/619456771.db2.gz HQXURKCYFUUYSM-NHYWBVRUSA-N 0 0 296.361 2.729 20 10 CFCDRN Cc1ncoc1C[NH2+]Cc1cc(Br)ccc1O ZINC000894755053 619458271 /nfs/dbraw/zinc/45/82/71/619458271.db2.gz MOQIBOZAIAMVFB-UHFFFAOYSA-N 0 0 297.152 2.741 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCC2=CCCC2)cc1 ZINC000841864398 619464064 /nfs/dbraw/zinc/46/40/64/619464064.db2.gz LEZSJSUYUSMNMM-UHFFFAOYSA-N 0 0 273.380 2.611 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(F)CC2)c1[O-] ZINC000895548718 619549329 /nfs/dbraw/zinc/54/93/29/619549329.db2.gz BXPVOPSBZPJEMI-UHFFFAOYSA-N 0 0 288.706 2.888 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](CF)C2)c1[O-] ZINC000895572381 619556665 /nfs/dbraw/zinc/55/66/65/619556665.db2.gz CQSWNYYNXBMOFC-MRVPVSSYSA-N 0 0 288.706 2.745 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000895623767 619570167 /nfs/dbraw/zinc/57/01/67/619570167.db2.gz VWWNBEIHTXZVIH-WAAGHKOSSA-N 0 0 273.735 2.699 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1C=CCC1 ZINC000895721379 619591055 /nfs/dbraw/zinc/59/10/55/619591055.db2.gz WXNRAGGYDYLVHT-SNVBAGLBSA-N 0 0 266.728 2.563 20 10 CFCDRN CC(C)c1noc(NCc2c(O)cccc2F)n1 ZINC000895832595 619619307 /nfs/dbraw/zinc/61/93/07/619619307.db2.gz HXUVBQGJKPTJDT-UHFFFAOYSA-N 0 0 251.261 2.650 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]C1Cc2ccccc2C1 ZINC000896636506 619779999 /nfs/dbraw/zinc/77/99/99/619779999.db2.gz DLRLVTRACPVHRZ-UHFFFAOYSA-N 0 0 257.308 2.788 20 10 CFCDRN CC1(C)CC2(CC([NH2+]Cc3c([O-])cccc3F)C2)CO1 ZINC000896637783 619780351 /nfs/dbraw/zinc/78/03/51/619780351.db2.gz HAVSIOPUPCHISW-UHFFFAOYSA-N 0 0 279.355 2.969 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000896640192 619781404 /nfs/dbraw/zinc/78/14/04/619781404.db2.gz ZYCXMODHCSRTTP-SSDOTTSWSA-N 0 0 264.127 2.815 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000896640223 619781452 /nfs/dbraw/zinc/78/14/52/619781452.db2.gz GWPGQKLWXJNHCL-UHFFFAOYSA-N 0 0 289.306 2.592 20 10 CFCDRN CCOc1ccc(O)c(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC000896641099 619781681 /nfs/dbraw/zinc/78/16/81/619781681.db2.gz PINUJYBTEYGBKR-UHFFFAOYSA-N 0 0 291.322 2.925 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896640454 619781711 /nfs/dbraw/zinc/78/17/11/619781711.db2.gz IWHGBFLSAQJNTG-SNVBAGLBSA-N 0 0 253.317 2.579 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000896641227 619782121 /nfs/dbraw/zinc/78/21/21/619782121.db2.gz TZJRQXJMZBMWLR-UHFFFAOYSA-N 0 0 273.307 2.756 20 10 CFCDRN O=C(NCCC1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896700187 619789890 /nfs/dbraw/zinc/78/98/90/619789890.db2.gz QYDCJOZDAJKDPD-UHFFFAOYSA-N 0 0 277.345 2.842 20 10 CFCDRN COc1c([O-])c(C[NH2+]CCC2CC=CC2)ccc1[N+](=O)[O-] ZINC000896865404 619851136 /nfs/dbraw/zinc/85/11/36/619851136.db2.gz WHBKINVNHRZZIN-UHFFFAOYSA-N 0 0 292.335 2.755 20 10 CFCDRN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896961286 619906827 /nfs/dbraw/zinc/90/68/27/619906827.db2.gz XGKKZVPWVVKCFY-OAHLLOKOSA-N 0 0 299.370 2.930 20 10 CFCDRN Cc1ccc([C@H](C)C(=O)NCc2c(O)cccc2F)o1 ZINC000928706206 619995897 /nfs/dbraw/zinc/99/58/97/619995897.db2.gz STDKIPKGWAWIIO-JTQLQIEISA-N 0 0 277.295 2.853 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)C1CCOCC1 ZINC000928709181 619996538 /nfs/dbraw/zinc/99/65/38/619996538.db2.gz XUIRECLLLOMZHW-UHFFFAOYSA-N 0 0 295.354 2.600 20 10 CFCDRN CCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000079391487 620008435 /nfs/dbraw/zinc/00/84/35/620008435.db2.gz UYJHHNGSNQAHEM-ZDUSSCGKSA-N 0 0 278.396 2.574 20 10 CFCDRN Cc1nn(C)c(NCc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC000897391977 620092250 /nfs/dbraw/zinc/09/22/50/620092250.db2.gz IELDSRUWJIWGDI-UHFFFAOYSA-N 0 0 296.714 2.608 20 10 CFCDRN C[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)C1(F)F ZINC000862437800 620114043 /nfs/dbraw/zinc/11/40/43/620114043.db2.gz BBTWFOQBJKPFQC-YUMQZZPRSA-N 0 0 275.320 2.817 20 10 CFCDRN O=C(NC[C@@H]1CCCC12CC2)C1=CC(=O)CS1 ZINC000863776517 620188944 /nfs/dbraw/zinc/18/89/44/620188944.db2.gz ZRDQGAMKBYEORA-VIFPVBQESA-N 0 0 251.351 2.764 20 10 CFCDRN COC(=O)c1ccc(O)c([C@H](C)NC2(C(F)F)CC2)c1 ZINC000800502079 620193893 /nfs/dbraw/zinc/19/38/93/620193893.db2.gz LZGAVGPBGPWGEP-QMMMGPOBSA-N 0 0 285.290 2.627 20 10 CFCDRN C[C@@H]1CCC[C@H](OCC(=O)NCCc2ccc(N)cc2)C1 ZINC000237359164 620211733 /nfs/dbraw/zinc/21/17/33/620211733.db2.gz GKKFASWOVCCYCZ-CJNGLKHVSA-N 0 0 290.407 2.523 20 10 CFCDRN COc1ccc(O)c(CNc2cnc3c(c2)c(C)nn3C)c1 ZINC000237364706 620213609 /nfs/dbraw/zinc/21/36/09/620213609.db2.gz KHOZXVYYKUKJMP-UHFFFAOYSA-N 0 0 298.346 2.603 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000897684508 620271066 /nfs/dbraw/zinc/27/10/66/620271066.db2.gz QKKXVWHWZOEOAC-WRWORJQWSA-N 0 0 276.163 2.512 20 10 CFCDRN CCC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897946829 620308715 /nfs/dbraw/zinc/30/87/15/620308715.db2.gz YHDLENAADFVXSJ-UHFFFAOYSA-N 0 0 277.345 2.795 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897952673 620309922 /nfs/dbraw/zinc/30/99/22/620309922.db2.gz IRDIPKRWLRIVHZ-OASPWFOLSA-N 0 0 262.309 2.579 20 10 CFCDRN CCCOc1ccc(CNCc2cn(C)cn2)cc1C ZINC000898041789 620328533 /nfs/dbraw/zinc/32/85/33/620328533.db2.gz BDGQXCWGUPWUQY-UHFFFAOYSA-N 0 0 273.380 2.807 20 10 CFCDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C2CC2)n1 ZINC000898216563 620346678 /nfs/dbraw/zinc/34/66/78/620346678.db2.gz YYMBFKUSXSBUOM-UHFFFAOYSA-N 0 0 291.782 2.946 20 10 CFCDRN CCc1nocc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219095 620347259 /nfs/dbraw/zinc/34/72/59/620347259.db2.gz UVRMRWHPKBCGJY-UHFFFAOYSA-N 0 0 266.728 2.886 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000898259826 620359398 /nfs/dbraw/zinc/35/93/98/620359398.db2.gz SEVBJCSTUXYQPA-ZKYQVNSYSA-N 0 0 272.348 2.606 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccccc1O ZINC000898257220 620365492 /nfs/dbraw/zinc/36/54/92/620365492.db2.gz PVXRXFRHHKGDHD-UZGDPCLZSA-N 0 0 274.364 2.941 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ncc[nH]1 ZINC000080579844 620381363 /nfs/dbraw/zinc/38/13/63/620381363.db2.gz GNOHZSNZORHFDW-UHFFFAOYSA-N 0 0 272.135 2.712 20 10 CFCDRN C[C@H](NCc1cc(C2CC2)n(C)n1)c1c(O)cccc1F ZINC000927107450 620453893 /nfs/dbraw/zinc/45/38/93/620453893.db2.gz IIRZXAURJXILEM-JTQLQIEISA-N 0 0 289.354 2.993 20 10 CFCDRN COc1ccc(C[NH2+]C/C=C/Cl)cc1Cn1cccn1 ZINC000898424217 620461094 /nfs/dbraw/zinc/46/10/94/620461094.db2.gz CGGIFYLXVLKFJG-QHHAFSJGSA-N 0 0 291.782 2.782 20 10 CFCDRN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000898480121 620469688 /nfs/dbraw/zinc/46/96/88/620469688.db2.gz CSXIRRPUFLZTPW-PWSUYJOCSA-N 0 0 297.782 2.867 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)NC/C=C/Cl)cc1 ZINC000899057406 620518185 /nfs/dbraw/zinc/51/81/85/620518185.db2.gz MLRCPLFPHDQAMB-RUDMXATFSA-N 0 0 281.787 2.647 20 10 CFCDRN Cc1nc(C)c(CC(=O)NCc2cc(C)ccc2O)s1 ZINC000899134152 620523316 /nfs/dbraw/zinc/52/33/16/620523316.db2.gz VJYMQWUEAGMVSQ-UHFFFAOYSA-N 0 0 290.388 2.633 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CC(C)(C)CO2)c1 ZINC000899133410 620523449 /nfs/dbraw/zinc/52/34/49/620523449.db2.gz LINCJKBNRSKZOE-ZDUSSCGKSA-N 0 0 277.364 2.522 20 10 CFCDRN CCN1C(=O)/C(=C/c2cn(C)nc2C2CC2)SC1=S ZINC000899332569 620546529 /nfs/dbraw/zinc/54/65/29/620546529.db2.gz IXDKFYXMCGYGDT-POHAHGRESA-N 0 0 293.417 2.519 20 10 CFCDRN CCn1cncc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000901522452 620845034 /nfs/dbraw/zinc/84/50/34/620845034.db2.gz OFQWVDKJPYOGJU-OQLLNIDSSA-N 0 0 279.343 2.736 20 10 CFCDRN CN(C)c1ccc(CNc2n[nH]cc2Br)cc1 ZINC000902173328 620993472 /nfs/dbraw/zinc/99/34/72/620993472.db2.gz QAEBRCJFHRBELR-UHFFFAOYSA-N 0 0 295.184 2.850 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)c(=O)n(C)c1 ZINC000902258915 621008244 /nfs/dbraw/zinc/00/82/44/621008244.db2.gz BCZXGDWYRGYLDR-UHFFFAOYSA-N 0 0 285.391 2.680 20 10 CFCDRN C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000071141903 625465381 /nfs/dbraw/zinc/46/53/81/625465381.db2.gz PBWLXKAGJIDLTN-VIFPVBQESA-N 0 0 289.206 2.740 20 10 CFCDRN CC(C)[C@@H](N[C@@H](C)c1c(O)cccc1F)c1nncn1C ZINC000903063726 621238074 /nfs/dbraw/zinc/23/80/74/621238074.db2.gz HKXOIKKULQGKEI-IINYFYTJSA-N 0 0 292.358 2.708 20 10 CFCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C/c1cn(C)cn1 ZINC000903259518 621302194 /nfs/dbraw/zinc/30/21/94/621302194.db2.gz OHNLOHODOAGBCQ-SOFGYWHQSA-N 0 0 299.349 2.860 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C(F)(F)F)c1[O-] ZINC000903317749 621330440 /nfs/dbraw/zinc/33/04/40/621330440.db2.gz MIVRMFIBGYHUCO-ZJUUUORDSA-N 0 0 288.313 2.766 20 10 CFCDRN CC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903436852 621374267 /nfs/dbraw/zinc/37/42/67/621374267.db2.gz LDKCXYXSTYAHSJ-KKUMJFAQSA-N 0 0 279.355 2.997 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccsc1 ZINC000183435072 625490526 /nfs/dbraw/zinc/49/05/26/625490526.db2.gz JKHDMLAXQXFRIW-SECBINFHSA-N 0 0 277.345 2.520 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3OC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000904077338 621517567 /nfs/dbraw/zinc/51/75/67/621517567.db2.gz URJMTBUDYUHDFD-CORIIIEPSA-N 0 0 285.347 2.730 20 10 CFCDRN CCOC(=O)CCCCCN(C)c1ccc(N)cc1 ZINC000071297705 625498073 /nfs/dbraw/zinc/49/80/73/625498073.db2.gz DNYGTLHQKMDEKS-UHFFFAOYSA-N 0 0 264.369 2.829 20 10 CFCDRN Nc1ccc(NC(=O)Nc2cnn(C3CCC3)c2)cc1 ZINC000904501551 621602823 /nfs/dbraw/zinc/60/28/23/621602823.db2.gz UGCPRHZAFZVXQE-UHFFFAOYSA-N 0 0 271.324 2.834 20 10 CFCDRN CN1C(=O)/C(=C/c2nccc3c2CCCC3)SC1=S ZINC000905001671 621679781 /nfs/dbraw/zinc/67/97/81/621679781.db2.gz JTWVVCBRVRJMFD-WQLSENKSSA-N 0 0 290.413 2.791 20 10 CFCDRN Cc1ccc2c(c1F)N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000905920425 621901237 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ZINC000910949985 622488877 /nfs/dbraw/zinc/48/88/77/622488877.db2.gz RLEMPJJVGHPGID-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910950821 622489170 /nfs/dbraw/zinc/48/91/70/622489170.db2.gz JQUYZVWMUNRNIQ-WDEREUQCSA-N 0 0 263.337 2.540 20 10 CFCDRN CCC(CC)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910951063 622489265 /nfs/dbraw/zinc/48/92/65/622489265.db2.gz OMWVRBLITJEUQA-UHFFFAOYSA-N 0 0 265.353 2.930 20 10 CFCDRN CCC(CC)CC(=O)NCc1ccc(O)cc1O ZINC000910951244 622489323 /nfs/dbraw/zinc/48/93/23/622489323.db2.gz QDXFHPUBSMDQLV-UHFFFAOYSA-N 0 0 251.326 2.540 20 10 CFCDRN CC(C)CC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000910951840 622489386 /nfs/dbraw/zinc/48/93/86/622489386.db2.gz WHMLCDQJSMMMFL-UHFFFAOYSA-N 0 0 265.353 2.786 20 10 CFCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(O)cc1O ZINC000910953473 622489400 /nfs/dbraw/zinc/48/94/00/622489400.db2.gz BSMXELZICIFSPH-LLVKDONJSA-N 0 0 265.353 2.786 20 10 CFCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944904 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Cc1ccc(O)c(CNC(=O)[C@@]23CCO[C@@H]2CCCC3)c1 ZINC000827166908 623957624 /nfs/dbraw/zinc/95/76/24/623957624.db2.gz LBEGLGKJFPBXDN-WBVHZDCISA-N 0 0 289.375 2.666 20 10 CFCDRN Cc1cc(CN2CCOCC2)ccc1N1CCCCC1 ZINC000827294897 623983446 /nfs/dbraw/zinc/98/34/46/623983446.db2.gz VRFJWXFEESWZMC-UHFFFAOYSA-N 0 0 274.408 2.818 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@]2(C)CCC[C@@H]2C)c1 ZINC000827316650 623986091 /nfs/dbraw/zinc/98/60/91/623986091.db2.gz GCMCXBZWILFHLB-ZBEGNZNMSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]1C[C@H]1c1nnc2ccc(NCc3ccccc3O)nn21 ZINC000827505814 624019549 /nfs/dbraw/zinc/01/95/49/624019549.db2.gz AMVKHNMWTFPFJV-ZYHUDNBSSA-N 0 0 295.346 2.565 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccc(C)nc2)SC1=S ZINC000764888916 624036163 /nfs/dbraw/zinc/03/61/63/624036163.db2.gz OGNSQPPZWCKVLQ-POHAHGRESA-N 0 0 264.375 2.611 20 10 CFCDRN OCc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000237990273 624062414 /nfs/dbraw/zinc/06/24/14/624062414.db2.gz DWVNZFAJBYHOAR-UHFFFAOYSA-N 0 0 298.386 2.628 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@H](c1ccccn1)C1CC1 ZINC000915518475 624074532 /nfs/dbraw/zinc/07/45/32/624074532.db2.gz VQSOVIAXIJMUSV-INIZCTEOSA-N 0 0 297.358 2.738 20 10 CFCDRN COc1ccc(N(C)CCC[C@H]2CCOC2)cc1OC ZINC000827808896 624099271 /nfs/dbraw/zinc/09/92/71/624099271.db2.gz TXHYHFSADOUWLR-ZDUSSCGKSA-N 0 0 279.380 2.957 20 10 CFCDRN Cc1nccn1CCCC(=O)N[C@H](C)c1ccccc1O ZINC000827930920 624129965 /nfs/dbraw/zinc/12/99/65/624129965.db2.gz VBEREEYOUJWUMM-GFCCVEGCSA-N 0 0 287.363 2.555 20 10 CFCDRN C[C@@H](NC(=O)CCc1ccccn1)c1ccccc1O ZINC000827930142 624130172 /nfs/dbraw/zinc/13/01/72/624130172.db2.gz CQLSKEYXMHVILZ-GFCCVEGCSA-N 0 0 270.332 2.597 20 10 CFCDRN C[C@@H](NC(=O)CCn1cc(Cl)cn1)c1ccccc1O ZINC000827931119 624131358 /nfs/dbraw/zinc/13/13/58/624131358.db2.gz YXKDOSRTOKSEKV-SNVBAGLBSA-N 0 0 293.754 2.510 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1ccccc1O ZINC000827937368 624132593 /nfs/dbraw/zinc/13/25/93/624132593.db2.gz UEUAHRRAPWMDLV-WDEREUQCSA-N 0 0 259.305 2.966 20 10 CFCDRN CC[C@H]1CC[C@@H](C(=O)N[C@H](C)c2ccccc2O)O1 ZINC000827937559 624132676 /nfs/dbraw/zinc/13/26/76/624132676.db2.gz ZAIRTWRWKMCLAC-SUNKGSAMSA-N 0 0 263.337 2.527 20 10 CFCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2O)no1 ZINC000827941685 624133600 /nfs/dbraw/zinc/13/36/00/624133600.db2.gz WCGHJBUTRZIYAF-SNVBAGLBSA-N 0 0 274.320 2.995 20 10 CFCDRN C[C@@H](NC(=O)[C@@]1(C)CCCCO1)c1ccccc1O ZINC000827952206 624136889 /nfs/dbraw/zinc/13/68/89/624136889.db2.gz JNUUJPMFEMAWRX-IAQYHMDHSA-N 0 0 263.337 2.529 20 10 CFCDRN Cc1nn(C(C)C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827952556 624137059 /nfs/dbraw/zinc/13/70/59/624137059.db2.gz XGAYEIYCWMPPNC-LLVKDONJSA-N 0 0 287.363 2.969 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@@]1(C)Br)c1ccccc1O ZINC000827956460 624138172 /nfs/dbraw/zinc/13/81/72/624138172.db2.gz MHASHBNANBBIQR-DFAYQTQMSA-N 0 0 298.180 2.743 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)c1ccncc1)c1ccccc1O ZINC000827959529 624139683 /nfs/dbraw/zinc/13/96/83/624139683.db2.gz AJGXJPYDHPSIFS-RYUDHWBXSA-N 0 0 270.332 2.768 20 10 CFCDRN C[C@H](NC(=O)/C=C/C1(C)CCOCC1)c1ccccc1O ZINC000827960891 624140380 /nfs/dbraw/zinc/14/03/80/624140380.db2.gz YHNZHRBQMSNKMT-GWJCSSMESA-N 0 0 289.375 2.942 20 10 CFCDRN C[C@H](NC(=O)c1cnc2n1[C@H](C)CCC2)c1ccccc1O ZINC000827960952 624140588 /nfs/dbraw/zinc/14/05/88/624140588.db2.gz ZGJCDIYEWSCMOU-NEPJUHHUSA-N 0 0 299.374 2.977 20 10 CFCDRN CO[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960807 624140783 /nfs/dbraw/zinc/14/07/83/624140783.db2.gz XEUAONCYCFIOOV-SMDDNHRTSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccccc1O ZINC000827968833 624141607 /nfs/dbraw/zinc/14/16/07/624141607.db2.gz AFVKLTQJCUKGHB-JTQLQIEISA-N 0 0 298.342 2.861 20 10 CFCDRN CCc1cncc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827964775 624141610 /nfs/dbraw/zinc/14/16/10/624141610.db2.gz UVTZBQLHLVXCTJ-NSHDSACASA-N 0 0 270.332 2.841 20 10 CFCDRN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CCO1 ZINC000827969195 624142434 /nfs/dbraw/zinc/14/24/34/624142434.db2.gz JRMLMTREQWPTNO-RWMBFGLXSA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000827969557 624142686 /nfs/dbraw/zinc/14/26/86/624142686.db2.gz OWSNIQHQVPOBSC-GWCFXTLKSA-N 0 0 263.337 2.527 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CSCCS1)c1ccccc1O ZINC000827973071 624143980 /nfs/dbraw/zinc/14/39/80/624143980.db2.gz HTVVVXDXPDVDDB-WDEREUQCSA-N 0 0 297.445 2.808 20 10 CFCDRN C[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)c1ccccc1O ZINC000827973385 624144068 /nfs/dbraw/zinc/14/40/68/624144068.db2.gz NWOLCODVBFZZEA-GUYCJALGSA-N 0 0 298.386 2.872 20 10 CFCDRN CC(=O)C(C)(C)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827972989 624144286 /nfs/dbraw/zinc/14/42/86/624144286.db2.gz FGUUMQCHKYAIMG-NSHDSACASA-N 0 0 277.364 2.965 20 10 CFCDRN C[C@H](NC(=O)CCc1cscn1)c1ccccc1O ZINC000827978246 624144974 /nfs/dbraw/zinc/14/49/74/624144974.db2.gz MAVBVPFUDWOESB-JTQLQIEISA-N 0 0 276.361 2.659 20 10 CFCDRN Cc1cc(CN(C)Cc2nc[nH]n2)ccc1N1CCCCC1 ZINC000828015832 624154713 /nfs/dbraw/zinc/15/47/13/624154713.db2.gz KLENCLSCGDYHGY-UHFFFAOYSA-N 0 0 299.422 2.735 20 10 CFCDRN CN(CCC[C@@H]1CCOC1)c1ccc2c(c1)OCO2 ZINC000828098068 624173335 /nfs/dbraw/zinc/17/33/35/624173335.db2.gz HRMIFYXHDHWLJC-GFCCVEGCSA-N 0 0 263.337 2.668 20 10 CFCDRN COc1ccc(N(CC(C)C)C[C@H]2COCCO2)cc1 ZINC000828206001 624200997 /nfs/dbraw/zinc/20/09/97/624200997.db2.gz NLIHIAVOPJRGSM-INIZCTEOSA-N 0 0 279.380 2.573 20 10 CFCDRN COc1ccc(N(CC[C@@H](C)O)C(C)C)cc1F ZINC000828268583 624218182 /nfs/dbraw/zinc/21/81/82/624218182.db2.gz XBIMFVXXLPJVQZ-LLVKDONJSA-N 0 0 255.333 2.820 20 10 CFCDRN CN1CCCN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000828275797 624220560 /nfs/dbraw/zinc/22/05/60/624220560.db2.gz BAEXNVXKRQLRLO-UHFFFAOYSA-N 0 0 288.372 2.940 20 10 CFCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC(C)(C)C1 ZINC000828279773 624221017 /nfs/dbraw/zinc/22/10/17/624221017.db2.gz BORSKWLXCKPRKE-VIFPVBQESA-N 0 0 281.327 2.745 20 10 CFCDRN CN(C)C(=O)OCSc1ncc(-c2ccccc2)n1C ZINC000916203238 624228696 /nfs/dbraw/zinc/22/86/96/624228696.db2.gz NGLVATMWKPTMFP-UHFFFAOYSA-N 0 0 291.376 2.835 20 10 CFCDRN O=C(c1cccc2c1CCOC2)N1Cc2cccc(O)c2C1 ZINC000828327594 624229260 /nfs/dbraw/zinc/22/92/60/624229260.db2.gz QKNSENADDYGPCO-UHFFFAOYSA-N 0 0 295.338 2.621 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CC=CCC1 ZINC000828884508 624321182 /nfs/dbraw/zinc/32/11/82/624321182.db2.gz DOGBLRGHRIXXJO-YVEFUNNKSA-N 0 0 289.375 2.891 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CC=CCC1 ZINC000828884507 624321396 /nfs/dbraw/zinc/32/13/96/624321396.db2.gz DOGBLRGHRIXXJO-SJKOYZFVSA-N 0 0 289.375 2.891 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1=CCCC1 ZINC000828949379 624338736 /nfs/dbraw/zinc/33/87/36/624338736.db2.gz CWMSMHQTXLRBPD-SOFGYWHQSA-N 0 0 260.289 2.765 20 10 CFCDRN COC(=O)c1cnc(SCc2cnc(C)o2)s1 ZINC000917779135 624384480 /nfs/dbraw/zinc/38/44/80/624384480.db2.gz ZKUUQZAMOAHGHE-UHFFFAOYSA-N 0 0 270.335 2.518 20 10 CFCDRN Clc1cnc(SC[C@H]2CCC3(COC3)O2)s1 ZINC000918089184 624414744 /nfs/dbraw/zinc/41/47/44/624414744.db2.gz UIXMKHIWPUWUAY-SSDOTTSWSA-N 0 0 277.798 2.837 20 10 CFCDRN CN(CC1CC1)C(=O)NCCCSc1nccs1 ZINC000154643603 624416167 /nfs/dbraw/zinc/41/61/67/624416167.db2.gz NOHOFLNRDXOIFL-UHFFFAOYSA-N 0 0 285.438 2.677 20 10 CFCDRN COc1cccc(C[C@@H](C)NC(=O)Cc2ccc(N)cc2)c1 ZINC000829511352 624449268 /nfs/dbraw/zinc/44/92/68/624449268.db2.gz AQFXRTZESNSYIX-CYBMUJFWSA-N 0 0 298.386 2.567 20 10 CFCDRN Cc1ccsc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000000106046 624510115 /nfs/dbraw/zinc/51/01/15/624510115.db2.gz BXTPTKSTDRONEX-FMIVXFBMSA-N 0 0 284.340 2.518 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1c(C2CCC2)cnn1C ZINC000830140676 624640469 /nfs/dbraw/zinc/64/04/69/624640469.db2.gz GGKAVEVGKREOBD-UHFFFAOYSA-N 0 0 299.374 2.665 20 10 CFCDRN C[C@@H](Cc1ccco1)C(=O)N(C)Cc1ccccc1O ZINC000830141056 624640521 /nfs/dbraw/zinc/64/05/21/624640521.db2.gz MHPHOIQDFFYYRD-LBPRGKRZSA-N 0 0 273.332 2.822 20 10 CFCDRN CO[C@@H](C(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000830141744 624641715 /nfs/dbraw/zinc/64/17/15/624641715.db2.gz XPYWDFPSOSJSSN-MRXNPFEDSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@H](c1ncccn1)N1CCOc2cc(N(C)C)ccc21 ZINC000930128048 624719681 /nfs/dbraw/zinc/71/96/81/624719681.db2.gz YKAUILGTQLZNBF-GFCCVEGCSA-N 0 0 284.363 2.503 20 10 CFCDRN CCCC[C@](C)(F)C(=O)NCc1ccccc1O ZINC000830527340 624772991 /nfs/dbraw/zinc/77/29/91/624772991.db2.gz ZIWUWYJPOXNYRV-AWEZNQCLSA-N 0 0 253.317 2.927 20 10 CFCDRN C[C@@H](NC(=O)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000920880379 624778745 /nfs/dbraw/zinc/77/87/45/624778745.db2.gz HVKKESZYFOYRIH-CYBMUJFWSA-N 0 0 288.391 2.501 20 10 CFCDRN CC1(C)CCC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000921351743 624852612 /nfs/dbraw/zinc/85/26/12/624852612.db2.gz SWVSCNPTGVBKKQ-CYBMUJFWSA-N 0 0 280.343 2.909 20 10 CFCDRN CCSCCN1CCOc2cc(N(C)C)ccc21 ZINC000175030498 624924243 /nfs/dbraw/zinc/92/42/43/624924243.db2.gz KQHSUUZBLKDCHC-UHFFFAOYSA-N 0 0 266.410 2.705 20 10 CFCDRN Cc1cnc(NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000078656381 624942544 /nfs/dbraw/zinc/94/25/44/624942544.db2.gz IIKLKEKYIZULHI-UHFFFAOYSA-N 0 0 259.265 2.616 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000831033095 624954657 /nfs/dbraw/zinc/95/46/57/624954657.db2.gz OPGYEFBDQPTMIG-RISCZKNCSA-N 0 0 277.364 2.843 20 10 CFCDRN COCc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000179431734 624962202 /nfs/dbraw/zinc/96/22/02/624962202.db2.gz DMKVYIJSLDLCDJ-UHFFFAOYSA-N 0 0 287.315 2.805 20 10 CFCDRN C[C@@H]1CCC[C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000237573510 624963359 /nfs/dbraw/zinc/96/33/59/624963359.db2.gz UFNNSOSCWKALJL-TZMCWYRMSA-N 0 0 260.381 2.754 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCCCO2)cc1OC ZINC000067984589 624968277 /nfs/dbraw/zinc/96/82/77/624968277.db2.gz UIMWLWIQZZQLMJ-CYBMUJFWSA-N 0 0 265.353 2.709 20 10 CFCDRN Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(N)cc1 ZINC000237669598 624969078 /nfs/dbraw/zinc/96/90/78/624969078.db2.gz WJSQQNNYPRUGLO-UHFFFAOYSA-N 0 0 272.352 2.552 20 10 CFCDRN COc1ccc(CNC(=O)OC2CCCC2)c(O)c1 ZINC000831347913 624994839 /nfs/dbraw/zinc/99/48/39/624994839.db2.gz MMCSFFYZOCOPCZ-UHFFFAOYSA-N 0 0 265.309 2.570 20 10 CFCDRN COc1cccc(CNC(=O)c2ccc(Cl)o2)c1O ZINC000068489028 625002787 /nfs/dbraw/zinc/00/27/87/625002787.db2.gz PMWZDDZSTZWFFS-UHFFFAOYSA-N 0 0 281.695 2.577 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CC=CC1 ZINC000831437194 625020778 /nfs/dbraw/zinc/02/07/78/625020778.db2.gz NBEVXEUJRBHJHB-SOFGYWHQSA-N 0 0 273.332 2.584 20 10 CFCDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000831471447 625031866 /nfs/dbraw/zinc/03/18/66/625031866.db2.gz XBMJPLYHUQUDKI-OAHLLOKOSA-N 0 0 298.390 2.515 20 10 CFCDRN CCc1nn(C)cc1CN(C)c1ccc(OC)c(F)c1 ZINC000180772649 625039121 /nfs/dbraw/zinc/03/91/21/625039121.db2.gz CSCVRLQMIAOLJS-UHFFFAOYSA-N 0 0 277.343 2.767 20 10 CFCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000831527795 625043370 /nfs/dbraw/zinc/04/33/70/625043370.db2.gz IENKDCDPIPQLJD-JKSUJKDBSA-N 0 0 290.407 2.521 20 10 CFCDRN COc1ccc(N(Cc2noc(C)n2)CC2CC2)cc1 ZINC000831583469 625059324 /nfs/dbraw/zinc/05/93/24/625059324.db2.gz YTJUFNFIPIILLA-UHFFFAOYSA-N 0 0 273.336 2.803 20 10 CFCDRN COc1ccc(N(Cc2nc(C)no2)CC2CC2)cc1 ZINC000831583005 625059384 /nfs/dbraw/zinc/05/93/84/625059384.db2.gz NEXLBDINDRXGAT-UHFFFAOYSA-N 0 0 273.336 2.803 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCCCC[C@H]1c1ncon1 ZINC000832045393 625212217 /nfs/dbraw/zinc/21/22/17/625212217.db2.gz ZHXSXDYASXGIEJ-JTQLQIEISA-N 0 0 293.348 2.594 20 10 CFCDRN C[C@@H]1CC[C@@]2(CCN(C(=O)Cc3ccc(N)cc3)C2)C1 ZINC000832144930 625230278 /nfs/dbraw/zinc/23/02/78/625230278.db2.gz KYJMHBUZHZGGNJ-CXAGYDPISA-N 0 0 272.392 2.850 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182222324 625272027 /nfs/dbraw/zinc/27/20/27/625272027.db2.gz PRBSRPRWIPVJOF-CYBMUJFWSA-N 0 0 257.761 2.542 20 10 CFCDRN COc1ccc(N(CC(=O)NCC(C)C)C(C)C)cc1F ZINC000101567533 625738770 /nfs/dbraw/zinc/73/87/70/625738770.db2.gz RKRSZTRFLVHNEY-UHFFFAOYSA-N 0 0 296.386 2.821 20 10 CFCDRN O=C(Cc1ccco1)NCc1ccc(N2CCCC2)cc1 ZINC000268776322 625743201 /nfs/dbraw/zinc/74/32/01/625743201.db2.gz RNGCWGHDDVXKSE-UHFFFAOYSA-N 0 0 284.359 2.739 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccco1 ZINC000268821775 625852670 /nfs/dbraw/zinc/85/26/70/625852670.db2.gz HUAHPBLXKVKJPK-UHFFFAOYSA-N 0 0 286.375 2.937 20 10 CFCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834871879 625906366 /nfs/dbraw/zinc/90/63/66/625906366.db2.gz UPDXDJCWQLRNLL-UWVGGRQHSA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834876731 625906801 /nfs/dbraw/zinc/90/68/01/625906801.db2.gz LVKLSZLQSGWMET-UWVGGRQHSA-N 0 0 282.340 2.501 20 10 CFCDRN CC[C@@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000834882642 625908420 /nfs/dbraw/zinc/90/84/20/625908420.db2.gz SJNNSQLLRCGVHY-HZMBPMFUSA-N 0 0 282.340 2.766 20 10 CFCDRN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000834896837 625913020 /nfs/dbraw/zinc/91/30/20/625913020.db2.gz OJGBLDQHFQHDPE-MNOVXSKESA-N 0 0 277.343 2.547 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc(Cl)c1[O-] ZINC000834910703 625919881 /nfs/dbraw/zinc/91/98/81/625919881.db2.gz YDRFVMWAYNTBJV-IUODEOHRSA-N 0 0 296.798 2.755 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(F)cc(F)c1[O-] ZINC000834915262 625921637 /nfs/dbraw/zinc/92/16/37/625921637.db2.gz PMSFMAIBVNDXMK-FXPVBKGRSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834915638 625921757 /nfs/dbraw/zinc/92/17/57/625921757.db2.gz RJNOHDHPFVXDOU-SCVCMEIPSA-N 0 0 280.324 2.519 20 10 CFCDRN Nc1ccc(CCNC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000851632533 634464078 /nfs/dbraw/zinc/46/40/78/634464078.db2.gz RPFCSLDAOSARHO-KRWDZBQOSA-N 0 0 298.361 2.797 20 10 CFCDRN CC(=O)CCCC(=O)NCCCSc1nccs1 ZINC000186213185 626015027 /nfs/dbraw/zinc/01/50/27/626015027.db2.gz LMOSGFNCPZVFGU-UHFFFAOYSA-N 0 0 286.422 2.501 20 10 CFCDRN CC[C@H](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000851662970 634474568 /nfs/dbraw/zinc/47/45/68/634474568.db2.gz PDKOQXYDOXYGQM-LBPRGKRZSA-N 0 0 263.385 2.547 20 10 CFCDRN O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)C1=CC(=O)CS1 ZINC000922439440 626288774 /nfs/dbraw/zinc/28/87/74/626288774.db2.gz OPARZCSVVPLVOY-APPZFPTMSA-N 0 0 296.266 2.720 20 10 CFCDRN CCOc1ccc(O)c(CN[C@@H](c2ncccn2)C2CC2)c1 ZINC000922581280 626316799 /nfs/dbraw/zinc/31/67/99/626316799.db2.gz SRFGBMIRTABIJM-MRXNPFEDSA-N 0 0 299.374 2.822 20 10 CFCDRN CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000073744029 626355186 /nfs/dbraw/zinc/35/51/86/626355186.db2.gz PXQMPNBHTMNITE-UHFFFAOYSA-N 0 0 257.337 2.629 20 10 CFCDRN COc1ccc(N(C)CCO[C@@H]2CC2(F)F)cc1OC ZINC000851735449 634499453 /nfs/dbraw/zinc/49/94/53/634499453.db2.gz WJSXHMLMOLZOER-CYBMUJFWSA-N 0 0 287.306 2.564 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC000186757555 626398566 /nfs/dbraw/zinc/39/85/66/626398566.db2.gz MGTHNFOBLIUTDN-MRVPVSSYSA-N 0 0 293.269 2.867 20 10 CFCDRN C[C@H](CNC(=O)NCc1c(O)cccc1F)CC(F)F ZINC000923022844 626443154 /nfs/dbraw/zinc/44/31/54/626443154.db2.gz FAEYCGMOOXNLKE-QMMMGPOBSA-N 0 0 290.285 2.622 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(O)c1O ZINC000187078710 626449263 /nfs/dbraw/zinc/44/92/63/626449263.db2.gz SOYTZQZBYMDMAD-CHWSQXEVSA-N 0 0 287.290 2.523 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1N(C)C ZINC000923228627 626458214 /nfs/dbraw/zinc/45/82/14/626458214.db2.gz VZJQCAGIAMTUOY-CQSZACIVSA-N 0 0 290.407 2.748 20 10 CFCDRN CC(C)[C@@H](NC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000923327130 626466637 /nfs/dbraw/zinc/46/66/37/626466637.db2.gz NSHJIWPPYIGQFT-CQSZACIVSA-N 0 0 280.343 2.765 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000838036796 626483953 /nfs/dbraw/zinc/48/39/53/626483953.db2.gz KHKVDNDTQUAVCP-NDRBSLDKSA-N 0 0 275.348 2.662 20 10 CFCDRN C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC=CCC1 ZINC000838182599 626489068 /nfs/dbraw/zinc/48/90/68/626489068.db2.gz IKOHEDHNHUMULT-INIZCTEOSA-N 0 0 290.315 2.570 20 10 CFCDRN CC[C@H](CC(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000838254037 626491038 /nfs/dbraw/zinc/49/10/38/626491038.db2.gz WPQDITFVTKPROG-LLVKDONJSA-N 0 0 294.347 2.896 20 10 CFCDRN C[C@@H]1CC=C(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000838345458 626492833 /nfs/dbraw/zinc/49/28/33/626492833.db2.gz AYUIGEFPOKNKHP-SNVBAGLBSA-N 0 0 290.315 2.570 20 10 CFCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H]1C ZINC000838514091 626500018 /nfs/dbraw/zinc/50/00/18/626500018.db2.gz FHYRQJLAUYEXGC-ZJUUUORDSA-N 0 0 285.438 2.675 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H]2C[C@@]2(C)C(C)C)c1O ZINC000838762519 626504932 /nfs/dbraw/zinc/50/49/32/626504932.db2.gz FJERQYIGPIYHJP-BBRMVZONSA-N 0 0 292.379 2.635 20 10 CFCDRN CN(C[C@H](O)c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000121359005 626525953 /nfs/dbraw/zinc/52/59/53/626525953.db2.gz MWNFPUQOWXUZMF-AWEZNQCLSA-N 0 0 289.306 2.724 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839141756 626528569 /nfs/dbraw/zinc/52/85/69/626528569.db2.gz YZZNRMWCNCSWJB-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN COc1ccc(CNCc2nnc(C(C)(C)C)[nH]2)cc1C ZINC000839169203 626529201 /nfs/dbraw/zinc/52/92/01/626529201.db2.gz GZHCJHXPDQSVLW-UHFFFAOYSA-N 0 0 288.395 2.709 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839190732 626530532 /nfs/dbraw/zinc/53/05/32/626530532.db2.gz KCUWRAOLXZLEJL-RNCFNFMXSA-N 0 0 285.746 2.796 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000839191314 626530798 /nfs/dbraw/zinc/53/07/98/626530798.db2.gz NYYGTTWSKQOVHU-ADEWGFFLSA-N 0 0 292.335 2.587 20 10 CFCDRN CCOc1ccc(CN2CC(F)(F)C(F)(F)C2)c(O)c1 ZINC000839159891 626531263 /nfs/dbraw/zinc/53/12/63/626531263.db2.gz HACVEBFOOONXIJ-UHFFFAOYSA-N 0 0 293.260 2.877 20 10 CFCDRN Cc1c(F)ccc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2 ZINC000839437993 626536598 /nfs/dbraw/zinc/53/65/98/626536598.db2.gz CNTCCWVCFHWXQB-VMPITWQZSA-N 0 0 299.349 2.860 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)CCCCO)c1c([O-])cccc1F ZINC000886617249 626539941 /nfs/dbraw/zinc/53/99/41/626539941.db2.gz IGYHKCNFKJVHLT-WDEREUQCSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@H](NC(=O)OC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000805066930 626541869 /nfs/dbraw/zinc/54/18/69/626541869.db2.gz DNUWKCREFJFABW-SWLSCSKDSA-N 0 0 292.379 2.719 20 10 CFCDRN CCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103506740 626547563 /nfs/dbraw/zinc/54/75/63/626547563.db2.gz MJQKUNMVUYVUSU-SNVBAGLBSA-N 0 0 266.341 2.561 20 10 CFCDRN COc1cc2c(c(OC)c1)N(CCSC)CCC2 ZINC000839655567 626549638 /nfs/dbraw/zinc/54/96/38/626549638.db2.gz UBXCLMASAOBVQR-UHFFFAOYSA-N 0 0 267.394 2.819 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1nccc(C)n1)CCC2 ZINC000839656852 626549774 /nfs/dbraw/zinc/54/97/74/626549774.db2.gz UVRXKCTVAFGROV-UHFFFAOYSA-N 0 0 299.374 2.755 20 10 CFCDRN CO[C@](C)([C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000839637514 626550711 /nfs/dbraw/zinc/55/07/11/626550711.db2.gz DZBBSCWPRZWJCF-ZUZCIYMTSA-N 0 0 294.351 2.594 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC(C)C)c1 ZINC000103594345 626555652 /nfs/dbraw/zinc/55/56/52/626555652.db2.gz MBASNJJYIFVZKH-LLVKDONJSA-N 0 0 280.368 2.807 20 10 CFCDRN C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000757659457 626557493 /nfs/dbraw/zinc/55/74/93/626557493.db2.gz YPSKQZUDDZQCLG-UWVGGRQHSA-N 0 0 271.307 2.748 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1(C)CC1 ZINC000757943912 626569536 /nfs/dbraw/zinc/56/95/36/626569536.db2.gz BSPCEFZDWOYYOR-UHFFFAOYSA-N 0 0 260.381 2.867 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncc(C)cn1 ZINC000758184789 626580937 /nfs/dbraw/zinc/58/09/37/626580937.db2.gz NLYMSKZBBRCWAS-UHFFFAOYSA-N 0 0 270.380 2.878 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCC3)cc1 ZINC000758283396 626586719 /nfs/dbraw/zinc/58/67/19/626586719.db2.gz QHQRMRJHWOCGPU-HNNXBMFYSA-N 0 0 287.407 2.885 20 10 CFCDRN O=C(N[C@@H](CCCO)c1ccccc1)C1=CC(=O)CS1 ZINC000758414039 626592997 /nfs/dbraw/zinc/59/29/97/626592997.db2.gz KZTVVGQXURZLNF-ZDUSSCGKSA-N 0 0 291.372 2.697 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)ncn2)cc1 ZINC000758506040 626596354 /nfs/dbraw/zinc/59/63/54/626596354.db2.gz LCDOGYKTCACPFI-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN O=C(OC/C(Cl)=C\Cl)c1cccc(O)c1O ZINC000758546724 626597890 /nfs/dbraw/zinc/59/78/90/626597890.db2.gz IONLPGRZZXMCIH-GQCTYLIASA-N 0 0 263.076 2.574 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000758745010 626606108 /nfs/dbraw/zinc/60/61/08/626606108.db2.gz NRRJKWPXIDVYIV-CYBMUJFWSA-N 0 0 295.404 2.875 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CC[C@H]2CCCCO2)cc1 ZINC000110181849 634509659 /nfs/dbraw/zinc/50/96/59/634509659.db2.gz FIGVMASIJIJFIJ-MRXNPFEDSA-N 0 0 290.407 2.718 20 10 CFCDRN O=C(NCCCSc1nccs1)N1C2CCC1CC2 ZINC000759601026 626674822 /nfs/dbraw/zinc/67/48/22/626674822.db2.gz CVNFMVHPSOTORT-UHFFFAOYSA-N 0 0 297.449 2.962 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2ccn(C)c(=O)c2)cc1 ZINC000759933169 626703261 /nfs/dbraw/zinc/70/32/61/626703261.db2.gz KEVCUCIVZNKQMN-UHFFFAOYSA-N 0 0 286.375 2.809 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2ccn(C)n2)cc1 ZINC000759933800 626703385 /nfs/dbraw/zinc/70/33/85/626703385.db2.gz QAISHWVPNFSEEY-UHFFFAOYSA-N 0 0 259.353 2.844 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CC(O)C2)cc1 ZINC000760053159 626711570 /nfs/dbraw/zinc/71/15/70/626711570.db2.gz PQFMKIHRKRCSFL-UHFFFAOYSA-N 0 0 298.386 2.689 20 10 CFCDRN COC(=O)CCCCCCCNC(=O)C1=CC(=O)CS1 ZINC000760151096 626716609 /nfs/dbraw/zinc/71/66/09/626716609.db2.gz XESJWBGZFVJIES-UHFFFAOYSA-N 0 0 299.392 2.697 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(F)F)c1 ZINC000760454397 626747171 /nfs/dbraw/zinc/74/71/71/626747171.db2.gz JAJVLVFURZTTHI-MRVPVSSYSA-N 0 0 273.279 2.623 20 10 CFCDRN O=C(NCCC1Cc2ccccc2C1)c1cccc(O)c1O ZINC000760563664 626756021 /nfs/dbraw/zinc/75/60/21/626756021.db2.gz VRMSIOAPCGUIJC-UHFFFAOYSA-N 0 0 297.354 2.633 20 10 CFCDRN O=C(N[C@H](c1cccnc1)C1CC1)C1=CC(=O)CS1 ZINC000760870469 626779810 /nfs/dbraw/zinc/77/98/10/626779810.db2.gz SDMSGJDADXXEHQ-ZDUSSCGKSA-N 0 0 274.345 2.730 20 10 CFCDRN CCC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000761580066 626848509 /nfs/dbraw/zinc/84/85/09/626848509.db2.gz SGTKYXUCELFUID-SMDDNHRTSA-N 0 0 289.379 2.534 20 10 CFCDRN Cc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)nc1 ZINC000761785483 626858323 /nfs/dbraw/zinc/85/83/23/626858323.db2.gz IQNYQSSNVHEQQB-IZZDOVSWSA-N 0 0 276.386 2.754 20 10 CFCDRN C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)C ZINC000762264446 626908350 /nfs/dbraw/zinc/90/83/50/626908350.db2.gz XZVIQMIQJXNGMI-PKNBQFBNSA-N 0 0 277.364 2.749 20 10 CFCDRN CCC(CC)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762260909 626908397 /nfs/dbraw/zinc/90/83/97/626908397.db2.gz CBDDMLKQZGSIAZ-NSHDSACASA-N 0 0 279.380 2.829 20 10 CFCDRN CCC/C(C)=C\C(=O)NCc1cc(OC)ccc1O ZINC000762804933 626939391 /nfs/dbraw/zinc/93/93/91/626939391.db2.gz KUXZEKKLAJZUJC-FLIBITNWSA-N 0 0 263.337 2.763 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCC(F)(F)C2)cc1 ZINC000763283236 626976390 /nfs/dbraw/zinc/97/63/90/626976390.db2.gz HZNPJEASILXPEJ-LBPRGKRZSA-N 0 0 297.349 2.740 20 10 CFCDRN C/C=C\C[C@H](NCc1ccc(N(C)C)cc1)C(=O)OCC ZINC000763360282 626982417 /nfs/dbraw/zinc/98/24/17/626982417.db2.gz CXIDCCLRKZPDOZ-WRLNGNIRSA-N 0 0 290.407 2.740 20 10 CFCDRN C/C=C/C[C@H](NCc1ccc2c(c1)CCO2)C(=O)OCC ZINC000763361759 626982500 /nfs/dbraw/zinc/98/25/00/626982500.db2.gz LZNSWGSMBWIQTA-UJAVWCLSSA-N 0 0 289.375 2.609 20 10 CFCDRN CCOc1ccc(N(C)CCCc2nc(C)no2)cc1 ZINC000763559973 626998433 /nfs/dbraw/zinc/99/84/33/626998433.db2.gz KGYUOJXGLSOHHY-UHFFFAOYSA-N 0 0 275.352 2.846 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000763924421 627022226 /nfs/dbraw/zinc/02/22/26/627022226.db2.gz UZTDBDHJQJXKAE-LKFCYVNXSA-N 0 0 297.782 2.763 20 10 CFCDRN CC(=O)CCCCCCC(=O)NCc1ccccc1O ZINC000764072048 627034963 /nfs/dbraw/zinc/03/49/63/627034963.db2.gz WMKHQLVMPPISGI-UHFFFAOYSA-N 0 0 277.364 2.938 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000764376980 627054526 /nfs/dbraw/zinc/05/45/26/627054526.db2.gz ROCYNXRQBGYTDY-LLVKDONJSA-N 0 0 284.306 2.721 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1 ZINC000764855663 627101973 /nfs/dbraw/zinc/10/19/73/627101973.db2.gz OFNGBXSHXWJXBU-HNNXBMFYSA-N 0 0 292.423 2.556 20 10 CFCDRN Oc1c(Br)cccc1CNc1ncc(F)cn1 ZINC000764933934 627107656 /nfs/dbraw/zinc/10/76/56/627107656.db2.gz GMDGNURJLOOROO-UHFFFAOYSA-N 0 0 298.115 2.696 20 10 CFCDRN COc1ccc(N(Cc2cnon2)CC(C)C)cc1 ZINC000851830426 634550188 /nfs/dbraw/zinc/55/01/88/634550188.db2.gz VMGABQVKHJDGON-UHFFFAOYSA-N 0 0 261.325 2.741 20 10 CFCDRN COc1ccc(N(C[C@H]2CCC(=O)O2)C(C)C)cc1F ZINC000851836238 634550966 /nfs/dbraw/zinc/55/09/66/634550966.db2.gz PBUFSDNGMVHTGR-GFCCVEGCSA-N 0 0 281.327 2.755 20 10 CFCDRN Cc1cc(C)cc(CN(C)C(=O)c2cccc(O)c2O)c1 ZINC000765637653 627152490 /nfs/dbraw/zinc/15/24/90/627152490.db2.gz SYDAHKBNYQLELA-UHFFFAOYSA-N 0 0 285.343 2.987 20 10 CFCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000765747088 627156306 /nfs/dbraw/zinc/15/63/06/627156306.db2.gz LDKZOPPSUWXMSE-QMMMGPOBSA-N 0 0 298.180 2.817 20 10 CFCDRN COC[C@@H](CN(c1ccc(OC)c(F)c1)C(C)C)OC ZINC000851836826 634551937 /nfs/dbraw/zinc/55/19/37/634551937.db2.gz YUVXBERCURMTQX-CYBMUJFWSA-N 0 0 285.359 2.711 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1nonc1C ZINC000766278772 627190135 /nfs/dbraw/zinc/19/01/35/627190135.db2.gz ITRLCZNKWDEOPI-UHFFFAOYSA-N 0 0 273.336 2.730 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cn1cc(Cl)cn1 ZINC000766341978 627196433 /nfs/dbraw/zinc/19/64/33/627196433.db2.gz VQTICXNYYKESOG-UHFFFAOYSA-N 0 0 277.755 2.955 20 10 CFCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1ccccc1O ZINC000766660799 627213549 /nfs/dbraw/zinc/21/35/49/627213549.db2.gz WTEMMHBFDARPNC-MRVPVSSYSA-N 0 0 276.258 2.532 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCCC23CCC3)cc1 ZINC000766855069 627223041 /nfs/dbraw/zinc/22/30/41/627223041.db2.gz MJJQVXYVIDQHEL-UHFFFAOYSA-N 0 0 287.407 2.981 20 10 CFCDRN CCC[N@H+](CCC(=O)C1CC1)Cc1ccccc1O ZINC000767411527 627248749 /nfs/dbraw/zinc/24/87/49/627248749.db2.gz LUXURMKQTLCDHI-UHFFFAOYSA-N 0 0 261.365 2.973 20 10 CFCDRN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1C ZINC000768156811 627322135 /nfs/dbraw/zinc/32/21/35/627322135.db2.gz LVFNVPRZHJSNJQ-UHFFFAOYSA-N 0 0 298.434 2.959 20 10 CFCDRN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000768171400 627323024 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ZINC000773016195 627769060 /nfs/dbraw/zinc/76/90/60/627769060.db2.gz RVDPBMRNOZFXQH-GHMZBOCLSA-N 0 0 266.410 2.681 20 10 CFCDRN C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(N(C)C)cc1 ZINC000773018512 627769770 /nfs/dbraw/zinc/76/97/70/627769770.db2.gz MHLCSAGGIZFIQE-LLVKDONJSA-N 0 0 257.337 2.572 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000773018807 627769831 /nfs/dbraw/zinc/76/98/31/627769831.db2.gz XISKZYRGXPFMIP-XZJROXQQSA-N 0 0 272.392 2.976 20 10 CFCDRN CC[C@@H](C)OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773022122 627770231 /nfs/dbraw/zinc/77/02/31/627770231.db2.gz FRDUUFGTJHCRDQ-CHWSQXEVSA-N 0 0 278.396 2.745 20 10 CFCDRN CCCCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773087757 627781843 /nfs/dbraw/zinc/78/18/43/627781843.db2.gz KIPBGPZXHHBYAW-GFCCVEGCSA-N 0 0 284.425 2.533 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773181960 627792699 /nfs/dbraw/zinc/79/26/99/627792699.db2.gz DHJHIABEWVOLTM-SGMGOOAPSA-N 0 0 275.396 2.769 20 10 CFCDRN COc1c(C)cc(C(=O)NCc2ccccc2O)cc1C ZINC000773466029 627823242 /nfs/dbraw/zinc/82/32/42/627823242.db2.gz BCXFCULMHZPCPD-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(N(C)CC)cc1)C(=O)OC ZINC000773754275 627855544 /nfs/dbraw/zinc/85/55/44/627855544.db2.gz QHPGFZSVGWGQKS-QGZVFWFLSA-N 0 0 292.423 2.964 20 10 CFCDRN CCC(C)(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773759962 627856237 /nfs/dbraw/zinc/85/62/37/627856237.db2.gz BZKYHLCRANKCPN-NSHDSACASA-N 0 0 279.380 2.971 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000773763646 627856661 /nfs/dbraw/zinc/85/66/61/627856661.db2.gz XINKNRARNFKUOA-DGCLKSJQSA-N 0 0 291.391 2.971 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000774392819 627920352 /nfs/dbraw/zinc/92/03/52/627920352.db2.gz LALPWXUKCFLTNP-NWDGAFQWSA-N 0 0 295.404 2.733 20 10 CFCDRN CO[C@H](CN(C)c1ccc(OC(C)C)cc1)[C@H]1CCOC1 ZINC000851985514 634616325 /nfs/dbraw/zinc/61/63/25/634616325.db2.gz MXUJSOQEDWFUDR-WMLDXEAASA-N 0 0 293.407 2.962 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC23CCCC3)ccc1[N+](=O)[O-] ZINC000775117350 627994674 /nfs/dbraw/zinc/99/46/74/627994674.db2.gz CMXLXZMONWGSOF-GFCCVEGCSA-N 0 0 292.335 2.731 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CC23CCCC3)ccc1[N+](=O)[O-] ZINC000775117351 627994957 /nfs/dbraw/zinc/99/49/57/627994957.db2.gz CMXLXZMONWGSOF-LBPRGKRZSA-N 0 0 292.335 2.731 20 10 CFCDRN Cc1ncoc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775405293 628021840 /nfs/dbraw/zinc/02/18/40/628021840.db2.gz SCDGNGFTGCZQJS-JTQLQIEISA-N 0 0 273.336 2.540 20 10 CFCDRN COc1ncc(/C=C\C(=O)N(C)c2cc(C)cc(C)c2)cn1 ZINC000775807757 628071519 /nfs/dbraw/zinc/07/15/19/628071519.db2.gz VOZPDZNPWIYQRX-WAYWQWQTSA-N 0 0 297.358 2.778 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000776292355 628127339 /nfs/dbraw/zinc/12/73/39/628127339.db2.gz JGVIMYMXKQLGGQ-OCCSQVGLSA-N 0 0 260.381 2.805 20 10 CFCDRN CCOC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000777637702 628242967 /nfs/dbraw/zinc/24/29/67/628242967.db2.gz NFDDCBMGZYRIQZ-QWHCGFSZSA-N 0 0 293.411 2.538 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H](F)Cc1ccccc1 ZINC000778327017 628297250 /nfs/dbraw/zinc/29/72/50/628297250.db2.gz SZHPGHNNNQZSDP-HNNXBMFYSA-N 0 0 287.334 2.931 20 10 CFCDRN COC(=O)/C=C\c1ccc(N2CC=CCC2)c([N+](=O)[O-])c1 ZINC000778592004 628318972 /nfs/dbraw/zinc/31/89/72/628318972.db2.gz SCLWKNINODAARU-VURMDHGXSA-N 0 0 288.303 2.547 20 10 CFCDRN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000779165241 628358023 /nfs/dbraw/zinc/35/80/23/628358023.db2.gz FKXJMJOGVIKYQG-GFCCVEGCSA-N 0 0 287.762 2.920 20 10 CFCDRN CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779219077 628361151 /nfs/dbraw/zinc/36/11/51/628361151.db2.gz LMJWGNIEXWPMCE-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc(Cl)nc1Cl ZINC000779357693 628376576 /nfs/dbraw/zinc/37/65/76/628376576.db2.gz IWFVOWLSMYHPIQ-HYXAFXHYSA-N 0 0 291.184 2.877 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000779482865 628384658 /nfs/dbraw/zinc/38/46/58/628384658.db2.gz HMEAAJFRVIAHGJ-LPXAQJHASA-N 0 0 295.338 2.783 20 10 CFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2c[nH]nc2c1 ZINC000779493353 628385561 /nfs/dbraw/zinc/38/55/61/628385561.db2.gz PZAQLPITNWHHJC-QHHAFSJGSA-N 0 0 295.298 2.626 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COCC ZINC000779674217 628393002 /nfs/dbraw/zinc/39/30/02/628393002.db2.gz XHROHLRJTPWVOF-ZDUSSCGKSA-N 0 0 294.395 2.739 20 10 CFCDRN C[C@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000780183242 628437677 /nfs/dbraw/zinc/43/76/77/628437677.db2.gz FDWOVAWHQWDHLG-JSGCOSHPSA-N 0 0 275.396 2.740 20 10 CFCDRN CCC[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)CCO1 ZINC000780451090 628465511 /nfs/dbraw/zinc/46/55/11/628465511.db2.gz MRHDCHSMRIWJST-GXTWGEPZSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1cccc(CNC(=O)NCC2CC(C)(C)C2)c1O ZINC000780875257 628501392 /nfs/dbraw/zinc/50/13/92/628501392.db2.gz OOHOXDNCSHKRHQ-UHFFFAOYSA-N 0 0 292.379 2.636 20 10 CFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c(O)c1O)CO2 ZINC000780984545 628511242 /nfs/dbraw/zinc/51/12/42/628511242.db2.gz POPCRGQNYXTZHW-ZDUSSCGKSA-N 0 0 299.326 2.578 20 10 CFCDRN CC/C(C)=C(\C)C(=O)NCc1cc(OC)ccc1O ZINC000780986480 628511274 /nfs/dbraw/zinc/51/12/74/628511274.db2.gz ZHBNFQPJBFQEED-ZHACJKMWSA-N 0 0 263.337 2.763 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)c2cnccc2C)c(O)c1O ZINC000781015130 628513310 /nfs/dbraw/zinc/51/33/10/628513310.db2.gz UVYQZPNPDKMPIB-LLVKDONJSA-N 0 0 286.331 2.601 20 10 CFCDRN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C)c(O)c1O ZINC000781357932 628542764 /nfs/dbraw/zinc/54/27/64/628542764.db2.gz VZAZAKSETJEOLB-UHFFFAOYSA-N 0 0 297.261 2.628 20 10 CFCDRN COC(=O)[C@H]1CCCCCN1Cc1cccc(Cl)c1[O-] ZINC000781526500 628557033 /nfs/dbraw/zinc/55/70/33/628557033.db2.gz GVGOBFJDKGLNEK-CYBMUJFWSA-N 0 0 297.782 2.963 20 10 CFCDRN COc1ccc(N(CC2CC2)C[C@H]2CCC(=O)O2)cc1 ZINC000852134502 634666797 /nfs/dbraw/zinc/66/67/97/634666797.db2.gz DXYUGQHGVQRIFP-OAHLLOKOSA-N 0 0 275.348 2.617 20 10 CFCDRN COc1ccc(N(CCC(OC)OC)CC2CC2)cc1 ZINC000852134236 634666853 /nfs/dbraw/zinc/66/68/53/634666853.db2.gz BWJBWIFJPFEMOA-UHFFFAOYSA-N 0 0 279.380 2.921 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCC(C)(C)C2)c1O ZINC000782014386 628597139 /nfs/dbraw/zinc/59/71/39/628597139.db2.gz MNOMHCDKCBQHOP-NSHDSACASA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O ZINC000783524235 628716872 /nfs/dbraw/zinc/71/68/72/628716872.db2.gz OLNVUQJKAXPOJN-LLVKDONJSA-N 0 0 297.358 2.756 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)[C@@H](C)O1 ZINC000783738440 628740301 /nfs/dbraw/zinc/74/03/01/628740301.db2.gz VKHWCXOJFSRBKS-JHJVBQTASA-N 0 0 280.387 2.889 20 10 CFCDRN C/C(=C/C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)(C)C ZINC000783925871 628755912 /nfs/dbraw/zinc/75/59/12/628755912.db2.gz AWKRDTAMRZXEJO-YFHOEESVSA-N 0 0 292.331 2.816 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C/c1cnccc1C ZINC000784055071 628769941 /nfs/dbraw/zinc/76/99/41/628769941.db2.gz ZAMLNNPNZBZREU-AATRIKPKSA-N 0 0 271.320 2.671 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](F)C(C)C ZINC000784107237 628777262 /nfs/dbraw/zinc/77/72/62/628777262.db2.gz CGCFLGMSDOTIEA-CQSZACIVSA-N 0 0 266.360 2.671 20 10 CFCDRN CCc1nnc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000784138973 628782246 /nfs/dbraw/zinc/78/22/46/628782246.db2.gz UKFMAKNFNBDMQQ-UHFFFAOYSA-N 0 0 293.392 2.754 20 10 CFCDRN CC[C@@H](C)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784616040 628831282 /nfs/dbraw/zinc/83/12/82/628831282.db2.gz YHNRPAQMRJUFRB-ZJUUUORDSA-N 0 0 280.320 2.506 20 10 CFCDRN CCC(C)(CC)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784754752 628841181 /nfs/dbraw/zinc/84/11/81/628841181.db2.gz DXPUXZQBADWGDU-UHFFFAOYSA-N 0 0 280.320 2.650 20 10 CFCDRN O=C(O[C@H]1CCc2ccccc21)c1cccc(O)c1O ZINC000784796658 628843153 /nfs/dbraw/zinc/84/31/53/628843153.db2.gz BBPOXMJPQFLYQE-AWEZNQCLSA-N 0 0 270.284 2.942 20 10 CFCDRN CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1 ZINC000784837753 628845182 /nfs/dbraw/zinc/84/51/82/628845182.db2.gz JLUQTZOOVPGEJE-UHFFFAOYSA-N 0 0 292.331 2.794 20 10 CFCDRN CC(C)C(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784876001 628847193 /nfs/dbraw/zinc/84/71/93/628847193.db2.gz NZWQIYFBNIUYAT-UHFFFAOYSA-N 0 0 280.320 2.506 20 10 CFCDRN COc1ccc(N(C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000852208825 634688765 /nfs/dbraw/zinc/68/87/65/634688765.db2.gz JCZJOUOWKPCRMR-UHFFFAOYSA-N 0 0 277.280 2.536 20 10 CFCDRN C[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000786166133 628940943 /nfs/dbraw/zinc/94/09/43/628940943.db2.gz NNNRFYMTXKWCOJ-MLGOLLRUSA-N 0 0 272.392 2.900 20 10 CFCDRN CN(C)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000786865507 628982121 /nfs/dbraw/zinc/98/21/21/628982121.db2.gz NROYQUGKQURTQP-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN Cc1cscc1CNC(=O)NCc1ccccc1O ZINC000787127401 628995308 /nfs/dbraw/zinc/99/53/08/628995308.db2.gz BNKNYGQWRWNXBM-UHFFFAOYSA-N 0 0 276.361 2.762 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787259944 629002586 /nfs/dbraw/zinc/00/25/86/629002586.db2.gz AYOLJKWDNPXNTD-BJWYYQGGSA-N 0 0 297.402 2.661 20 10 CFCDRN Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)c(O)c1O ZINC000787362581 629009096 /nfs/dbraw/zinc/00/90/96/629009096.db2.gz SWHKDBZLMIHIIH-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN Cc1ccc(C(=O)N(C)C2(C)CCCC2)c(O)c1O ZINC000787859401 629040116 /nfs/dbraw/zinc/04/01/16/629040116.db2.gz XOMQLCUHMGRGGV-UHFFFAOYSA-N 0 0 263.337 2.811 20 10 CFCDRN C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805863738 629059585 /nfs/dbraw/zinc/05/95/85/629059585.db2.gz LAKQFNZBOYWXEZ-IUODEOHRSA-N 0 0 275.396 2.693 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788343249 629060180 /nfs/dbraw/zinc/06/01/80/629060180.db2.gz FRWZUOBRWQPWEA-HNQUOIGGSA-N 0 0 296.320 2.651 20 10 CFCDRN C[C@@H](NCC(F)(F)CO)c1cccc(C(F)(F)F)c1O ZINC000788749387 629096917 /nfs/dbraw/zinc/09/69/17/629096917.db2.gz FEYYCACPHJVGTN-SSDOTTSWSA-N 0 0 299.239 2.689 20 10 CFCDRN CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788756768 629097370 /nfs/dbraw/zinc/09/73/70/629097370.db2.gz JGEUGMIEEHTESW-IUCAKERBSA-N 0 0 277.286 2.833 20 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COc1cccc(O)c1CNc1cccc(N2CCC2=O)c1 ZINC000790485656 629242821 /nfs/dbraw/zinc/24/28/21/629242821.db2.gz HYJDDQXBOJBNSE-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC000790576528 629249695 /nfs/dbraw/zinc/24/96/95/629249695.db2.gz KCKXVNUKAZJRJY-JTQLQIEISA-N 0 0 289.306 2.770 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCc2sccc2C1 ZINC000790666025 629256369 /nfs/dbraw/zinc/25/63/69/629256369.db2.gz PMKNDGPSXPESTA-UHFFFAOYSA-N 0 0 289.356 2.748 20 10 CFCDRN O=C(N[C@@H]1CCc2ccc(F)cc21)c1cccc(O)c1O ZINC000790664631 629256587 /nfs/dbraw/zinc/25/65/87/629256587.db2.gz SBQBIIMGVGJKHL-CYBMUJFWSA-N 0 0 287.290 2.654 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2(OC)CCC2)c1 ZINC000790787852 629262463 /nfs/dbraw/zinc/26/24/63/629262463.db2.gz PFBOTYGZIIUFNG-LLVKDONJSA-N 0 0 293.363 2.537 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000790961804 629273533 /nfs/dbraw/zinc/27/35/33/629273533.db2.gz NBWRMYRIECDSKI-ZYHUDNBSSA-N 0 0 273.735 2.578 20 10 CFCDRN CC[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCOC1 ZINC000791001947 629279743 /nfs/dbraw/zinc/27/97/43/629279743.db2.gz AUZQADOJSWNPFL-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccnc(Cl)c1Cl ZINC000791435256 629315271 /nfs/dbraw/zinc/31/52/71/629315271.db2.gz RBONRRKKBLQBLT-HYXAFXHYSA-N 0 0 291.184 2.877 20 10 CFCDRN CC[C@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835026659 629323426 /nfs/dbraw/zinc/32/34/26/629323426.db2.gz ZHUFLWDMMCVCMS-JFDDCEBESA-N 0 0 274.408 2.877 20 10 CFCDRN Cc1cc(NC/C=C/c2ccc(N(C)C)cc2)nn1C ZINC000835041027 629335998 /nfs/dbraw/zinc/33/59/98/629335998.db2.gz IOFYCDNXIPSXEA-AATRIKPKSA-N 0 0 270.380 2.920 20 10 CFCDRN CCc1nnc([C@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835043194 629336829 /nfs/dbraw/zinc/33/68/29/629336829.db2.gz QSRAEMOFBKGGDT-FWWRYZNZSA-N 0 0 299.422 2.797 20 10 CFCDRN CCOCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835045524 629341824 /nfs/dbraw/zinc/34/18/24/629341824.db2.gz VXBXEFVODFRVLX-VOTSOKGWSA-N 0 0 262.397 2.734 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(F)F)C2)cc1 ZINC000835048837 629347496 /nfs/dbraw/zinc/34/74/96/629347496.db2.gz ATGZXLLQEQZYIC-NHZBNJEXSA-N 0 0 296.361 2.732 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C2CC2)C2COC2)cc1 ZINC000835055063 629356546 /nfs/dbraw/zinc/35/65/46/629356546.db2.gz PTODVLXGEINCLD-ONEGZZNKSA-N 0 0 272.392 2.629 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCOCC2CCCC2)c1 ZINC000835058495 629362261 /nfs/dbraw/zinc/36/22/61/629362261.db2.gz GNVDOZJLYHDFDH-UHFFFAOYSA-N 0 0 294.351 2.597 20 10 CFCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)O1 ZINC000835088613 629387856 /nfs/dbraw/zinc/38/78/56/629387856.db2.gz XIQUCUHYSGPDAP-RKDXNWHRSA-N 0 0 273.735 2.842 20 10 CFCDRN CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000792167178 629404237 /nfs/dbraw/zinc/40/42/37/629404237.db2.gz DBZXMXYGVZZXDT-LLVKDONJSA-N 0 0 298.789 2.853 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CCO)C1 ZINC000792168044 629404779 /nfs/dbraw/zinc/40/47/79/629404779.db2.gz ZELJMXNYHPAOLM-SNVBAGLBSA-N 0 0 287.762 2.779 20 10 CFCDRN C[C@@H](NC(=O)N1CC(C)(F)C1)c1ccc(N(C)C)cc1 ZINC000792178623 629406660 /nfs/dbraw/zinc/40/66/60/629406660.db2.gz KNDGHEOQXLNHGX-LLVKDONJSA-N 0 0 279.359 2.567 20 10 CFCDRN CCN(Cc1ncccn1)c1ccc(OC)c(OC)c1 ZINC000792240490 629413485 /nfs/dbraw/zinc/41/34/85/629413485.db2.gz AYIQMRXBKSLIOF-UHFFFAOYSA-N 0 0 273.336 2.520 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@H]2CC=CCC2)c(O)c1 ZINC000792931124 629467582 /nfs/dbraw/zinc/46/75/82/629467582.db2.gz GPVYUAXVQSWVPQ-GFCCVEGCSA-N 0 0 290.363 2.556 20 10 CFCDRN CN(C)c1ccc(CN2c3ccccc3C[C@H]2CO)cc1 ZINC000852402821 634738699 /nfs/dbraw/zinc/73/86/99/634738699.db2.gz QSDGJOVKIZUHSN-KRWDZBQOSA-N 0 0 282.387 2.676 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CC23CCCC3)c(O)c1 ZINC000793082958 629485633 /nfs/dbraw/zinc/48/56/33/629485633.db2.gz RXGIPYMSNMTEPI-CQSZACIVSA-N 0 0 290.363 2.533 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000793346213 629529387 /nfs/dbraw/zinc/52/93/87/629529387.db2.gz GXEXWVRTPGJEBR-QWRGUYRKSA-N 0 0 294.351 2.835 20 10 CFCDRN CC[C@@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccccc1O ZINC000793658304 629583304 /nfs/dbraw/zinc/58/33/04/629583304.db2.gz RLOQRYHMHWCGKO-UKRRQHHQSA-N 0 0 293.407 2.928 20 10 CFCDRN CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccccc1O ZINC000793679128 629585416 /nfs/dbraw/zinc/58/54/16/629585416.db2.gz CGHSJYRLUBDDAH-GXTWGEPZSA-N 0 0 279.380 2.586 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2c1CCO2 ZINC000794146307 629615946 /nfs/dbraw/zinc/61/59/46/629615946.db2.gz DCEAJFFQCMILMX-ALCCZGGFSA-N 0 0 297.310 2.685 20 10 CFCDRN COc1ccc(N(C)Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000794290709 629632006 /nfs/dbraw/zinc/63/20/06/629632006.db2.gz OHLHFQDMHQHGBX-UHFFFAOYSA-N 0 0 290.367 2.582 20 10 CFCDRN CCCCSCC(=O)NCc1ccc(OC)cc1O ZINC000794370562 629641430 /nfs/dbraw/zinc/64/14/30/629641430.db2.gz PIWZDSVEQYKOOI-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN COc1ccc(CNC(=O)c2c(F)cccc2F)c(O)c1 ZINC000794379923 629642327 /nfs/dbraw/zinc/64/23/27/629642327.db2.gz ZVCCWQQSBMUNIP-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CC1CC1)C1CCC1 ZINC000794392356 629643454 /nfs/dbraw/zinc/64/34/54/629643454.db2.gz VQRZPJDLPMHLAQ-CLFYSBASSA-N 0 0 287.359 2.902 20 10 CFCDRN C[C@H]([NH2+]Cc1cccnc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794835605 629692534 /nfs/dbraw/zinc/69/25/34/629692534.db2.gz MGWRPVJRNJLXLT-VIFPVBQESA-N 0 0 291.282 2.685 20 10 CFCDRN CCn1ncnc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000794842028 629693155 /nfs/dbraw/zinc/69/31/55/629693155.db2.gz OZCVIUHOSDCGGV-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN COc1ccc(CNc2ccc([N+](=O)[O-])s2)c(O)c1 ZINC000795286088 629757152 /nfs/dbraw/zinc/75/71/52/629757152.db2.gz ZMZDDRDOSPJHDM-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C=CCC1 ZINC000852510892 634767616 /nfs/dbraw/zinc/76/76/16/634767616.db2.gz WVQXFCDBFQZHTI-ZDUSSCGKSA-N 0 0 286.375 2.789 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3C=CCC3)ccc21 ZINC000852510981 634767651 /nfs/dbraw/zinc/76/76/51/634767651.db2.gz GQSPGHAWEIXJAX-HNNXBMFYSA-N 0 0 285.391 2.587 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC(C2CCCC2)C1 ZINC000795886515 629845143 /nfs/dbraw/zinc/84/51/43/629845143.db2.gz MKDNUZFYQRPVDJ-UHFFFAOYSA-N 0 0 251.351 2.716 20 10 CFCDRN O=C(NCCCc1ccccc1F)C1=CC(=O)CS1 ZINC000796019998 629864422 /nfs/dbraw/zinc/86/44/22/629864422.db2.gz CXLUJROUMAQWQK-UHFFFAOYSA-N 0 0 279.336 2.955 20 10 CFCDRN CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796758802 629961183 /nfs/dbraw/zinc/96/11/83/629961183.db2.gz GFQBTIHVKFYUOI-IUODEOHRSA-N 0 0 297.370 2.625 20 10 CFCDRN CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(F)cc1[O-] ZINC000796836716 629975963 /nfs/dbraw/zinc/97/59/63/629975963.db2.gz PYVWKUQRWAAYOQ-JXBWDGJFSA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000796932825 629990562 /nfs/dbraw/zinc/99/05/62/629990562.db2.gz MDCOWOAJZJOIMJ-KWBADKCTSA-N 0 0 255.333 2.731 20 10 CFCDRN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796934978 629991112 /nfs/dbraw/zinc/99/11/12/629991112.db2.gz KTUMMRDPEMUBGT-IIAWOOMASA-N 0 0 297.370 2.766 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797064074 630011700 /nfs/dbraw/zinc/01/17/00/630011700.db2.gz FXKPPPWQVXZACY-HOTUBEGUSA-N 0 0 282.365 2.703 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]3C3CC3)ccc21 ZINC000797440819 630066588 /nfs/dbraw/zinc/06/65/88/630066588.db2.gz AWRBYMYAWSIRDB-JKSUJKDBSA-N 0 0 299.418 2.667 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000852588254 634787313 /nfs/dbraw/zinc/78/73/13/634787313.db2.gz AJLZVOSLGISSHZ-MNOVXSKESA-N 0 0 295.354 2.733 20 10 CFCDRN O=C(C[C@@H]1CCC(F)(F)C1)NCCc1ccc(O)c(O)c1 ZINC000797943239 630128248 /nfs/dbraw/zinc/12/82/48/630128248.db2.gz PAVUAUPWINLLRE-NSHDSACASA-N 0 0 299.317 2.582 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCC(F)(F)C2)c1 ZINC000797941771 630128346 /nfs/dbraw/zinc/12/83/46/630128346.db2.gz 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631377013 /nfs/dbraw/zinc/37/70/13/631377013.db2.gz SPQJSMFWLZFAIW-UHFFFAOYSA-N 0 0 285.269 2.995 20 10 CFCDRN COCCC1(CNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000841298456 631377078 /nfs/dbraw/zinc/37/70/78/631377078.db2.gz PYUFGOUJAMWHLO-UHFFFAOYSA-N 0 0 277.368 2.597 20 10 CFCDRN CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841297168 631377427 /nfs/dbraw/zinc/37/74/27/631377427.db2.gz BFHHXXAVSXXJLW-KGLIPLIRSA-N 0 0 289.379 2.690 20 10 CFCDRN CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](CO)C(C)C ZINC000841300060 631378085 /nfs/dbraw/zinc/37/80/85/631378085.db2.gz RJTXDPQAQJVNQO-LSDHHAIUSA-N 0 0 293.411 2.679 20 10 CFCDRN Nc1ccc(NC(=O)N[C@@H](CCO)C2CCCCC2)cc1 ZINC000841298834 631378091 /nfs/dbraw/zinc/37/80/91/631378091.db2.gz RUQGFDVJOFMYFJ-HNNXBMFYSA-N 0 0 291.395 2.722 20 10 CFCDRN CC(C)[C@H](CO)[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300058 631378151 /nfs/dbraw/zinc/37/81/51/631378151.db2.gz RJTXDPQAQJVNQO-GJZGRUSLSA-N 0 0 293.411 2.679 20 10 CFCDRN Cc1nccc(/C=C2/SC(=S)N(C3CCC3)C2=O)n1 ZINC000841498556 631417050 /nfs/dbraw/zinc/41/70/50/631417050.db2.gz PVLKPWDIWYZLOQ-YRNVUSSQSA-N 0 0 291.401 2.539 20 10 CFCDRN C[C@@H](NC(=O)OCCCF)c1ccc(N(C)C)cc1 ZINC000841515708 631420614 /nfs/dbraw/zinc/42/06/14/631420614.db2.gz NGMAIEXONSASPM-LLVKDONJSA-N 0 0 268.332 2.899 20 10 CFCDRN Cc1ccccc1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841642816 631442207 /nfs/dbraw/zinc/44/22/07/631442207.db2.gz AXAPYDAQIACNQP-UHFFFAOYSA-N 0 0 297.402 2.662 20 10 CFCDRN CC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748521 631463569 /nfs/dbraw/zinc/46/35/69/631463569.db2.gz AGHSFZLBAHHQAK-MWLCHTKSSA-N 0 0 257.761 2.857 20 10 CFCDRN CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748519 631463584 /nfs/dbraw/zinc/46/35/84/631463584.db2.gz AGHSFZLBAHHQAK-KOLCDFICSA-N 0 0 257.761 2.857 20 10 CFCDRN C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(Cl)cc1[O-] ZINC000841753807 631466310 /nfs/dbraw/zinc/46/63/10/631466310.db2.gz WTUDNIVAKYUUMP-BMQDGWLCSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)cc1[O-] ZINC000841752878 631467313 /nfs/dbraw/zinc/46/73/13/631467313.db2.gz QUQZBZHSBQXMBV-JTQLQIEISA-N 0 0 285.771 2.849 20 10 CFCDRN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)cc1[O-] ZINC000841758834 631467971 /nfs/dbraw/zinc/46/79/71/631467971.db2.gz VIVNJVIXMVWKJR-VIFPVBQESA-N 0 0 265.744 2.662 20 10 CFCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000841799632 631472702 /nfs/dbraw/zinc/47/27/02/631472702.db2.gz VUGFVOLCSXEAAQ-AWEZNQCLSA-N 0 0 279.380 2.983 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC2CC2)C(=O)[O-])cc1 ZINC000841812832 631474773 /nfs/dbraw/zinc/47/47/73/631474773.db2.gz ZIKNSIZSYNOPQR-MRXNPFEDSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@@H]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841889310 631488326 /nfs/dbraw/zinc/48/83/26/631488326.db2.gz BCXGYUXTCPFTMX-TZMCWYRMSA-N 0 0 275.396 2.547 20 10 CFCDRN Cc1ccc(C(=O)O[C@H]2CCCC(C)(C)C2=O)c(O)c1O ZINC000840218838 631489375 /nfs/dbraw/zinc/48/93/75/631489375.db2.gz DWTIGRRSFWOJEN-NSHDSACASA-N 0 0 292.331 2.711 20 10 CFCDRN Nc1ccc(CCNC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000841953775 631495787 /nfs/dbraw/zinc/49/57/87/631495787.db2.gz CRWGYYUAZQVTJJ-UHFFFAOYSA-N 0 0 287.407 2.643 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000841953606 631495907 /nfs/dbraw/zinc/49/59/07/631495907.db2.gz ATGFWRKBNLEDPB-ZBFHGGJFSA-N 0 0 287.407 2.785 20 10 CFCDRN C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841955221 631495939 /nfs/dbraw/zinc/49/59/39/631495939.db2.gz WFWVMKMXOTYOAA-OLZOCXBDSA-N 0 0 275.396 2.641 20 10 CFCDRN CCC1(CNC(=O)NCCc2ccc(N)cc2)CCC1 ZINC000841957997 631496389 /nfs/dbraw/zinc/49/63/89/631496389.db2.gz MSLYLUPUNDRSEU-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN CN(C[C@H]1CC=CCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841956370 631496544 /nfs/dbraw/zinc/49/65/44/631496544.db2.gz ADUNGQRUPZUOHZ-HNNXBMFYSA-N 0 0 287.407 2.809 20 10 CFCDRN C[C@H](c1ccccn1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957025 631496549 /nfs/dbraw/zinc/49/65/49/631496549.db2.gz LLLVGCGPINATKK-CYBMUJFWSA-N 0 0 298.390 2.609 20 10 CFCDRN CN(C[C@@H]1CC=CCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841956371 631496740 /nfs/dbraw/zinc/49/67/40/631496740.db2.gz ADUNGQRUPZUOHZ-OAHLLOKOSA-N 0 0 287.407 2.809 20 10 CFCDRN C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957295 631496813 /nfs/dbraw/zinc/49/68/13/631496813.db2.gz REZKKAKZWQAZBF-ZDUSSCGKSA-N 0 0 275.396 2.643 20 10 CFCDRN CC[C@]1(C)CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960402 631497481 /nfs/dbraw/zinc/49/74/81/631497481.db2.gz OVUKMDXPQVBHTQ-MRXNPFEDSA-N 0 0 275.396 2.643 20 10 CFCDRN C[C@H]1Cc2ccccc2N1C(=O)NCCc1ccc(N)cc1 ZINC000841963035 631497552 /nfs/dbraw/zinc/49/75/52/631497552.db2.gz UWQBMSDTJOCURS-ZDUSSCGKSA-N 0 0 295.386 2.972 20 10 CFCDRN CCn1nnc(C)c1COc1ccc(N2CCCC2)cc1 ZINC000842034437 631508318 /nfs/dbraw/zinc/50/83/18/631508318.db2.gz YDACZIQWDDJSLO-UHFFFAOYSA-N 0 0 286.379 2.786 20 10 CFCDRN Cc1noc(CCCOc2ccc(N3CCCC3)cc2)n1 ZINC000842033678 631508377 /nfs/dbraw/zinc/50/83/77/631508377.db2.gz BIUKDCUWXQDIAY-UHFFFAOYSA-N 0 0 287.363 2.990 20 10 CFCDRN CC(=O)C(=O)COC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC000842138604 631551112 /nfs/dbraw/zinc/55/11/12/631551112.db2.gz IMPNVXNPPJPPHL-RUAGAOLHSA-N 0 0 280.364 2.706 20 10 CFCDRN CC(=O)C(=O)COC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC000842138603 631551285 /nfs/dbraw/zinc/55/12/85/631551285.db2.gz IMPNVXNPPJPPHL-RPJXKNNSSA-N 0 0 280.364 2.706 20 10 CFCDRN COc1ccc(N2CCCN(c3nccnc3C)CC2)cc1 ZINC000811743364 631615765 /nfs/dbraw/zinc/61/57/65/631615765.db2.gz PFTMYQLVWGLNPR-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000811805042 631624320 /nfs/dbraw/zinc/62/43/20/631624320.db2.gz IPLMNDPKQAVTQA-UHFFFAOYSA-N 0 0 289.291 2.503 20 10 CFCDRN Cc1cccc([N+](=O)[O-])c1NCCc1ccc(O)c(O)c1 ZINC000811811291 631626055 /nfs/dbraw/zinc/62/60/55/631626055.db2.gz RALUKTQSYICUKM-UHFFFAOYSA-N 0 0 288.303 2.969 20 10 CFCDRN Cc1nccnc1NCc1cccc(Br)c1O ZINC000811839890 631630195 /nfs/dbraw/zinc/63/01/95/631630195.db2.gz HFNUAOKUKXFWTD-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000811905439 631638984 /nfs/dbraw/zinc/63/89/84/631638984.db2.gz DJXJNVUPEZWSIU-WFASDCNBSA-N 0 0 293.411 2.538 20 10 CFCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cccc(O)c1O ZINC000812419712 631714402 /nfs/dbraw/zinc/71/44/02/631714402.db2.gz OYLDMCJWHHIMKU-VXGBXAGGSA-N 0 0 293.363 2.928 20 10 CFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3C[C@@H]3C)C2)cc1 ZINC000842876411 631771809 /nfs/dbraw/zinc/77/18/09/631771809.db2.gz SJBAGCXCYZJJPU-ZENOOKHLSA-N 0 0 289.375 2.721 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000812780328 631773304 /nfs/dbraw/zinc/77/33/04/631773304.db2.gz AHTYFHOVFIOTIN-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000842887578 631775110 /nfs/dbraw/zinc/77/51/10/631775110.db2.gz ZLXFYSHVTUJEPT-ZWNOBZJWSA-N 0 0 294.370 2.581 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000842927453 631784337 /nfs/dbraw/zinc/78/43/37/631784337.db2.gz FJIPSWRRRVIVRR-CWSCBRNRSA-N 0 0 295.404 2.723 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000842927832 631784528 /nfs/dbraw/zinc/78/45/28/631784528.db2.gz HNNFTNRALVMXFO-GAFUQQFSSA-N 0 0 253.317 2.749 20 10 CFCDRN CCOCC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843018725 631804842 /nfs/dbraw/zinc/80/48/42/631804842.db2.gz ATHKHGTZZNDRFC-UHFFFAOYSA-N 0 0 287.359 2.999 20 10 CFCDRN C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000843045814 631813172 /nfs/dbraw/zinc/81/31/72/631813172.db2.gz KTAQYRHGNRBQQW-MFKMUULPSA-N 0 0 268.788 2.747 20 10 CFCDRN C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843046395 631813452 /nfs/dbraw/zinc/81/34/52/631813452.db2.gz UALXNAAOZSNOGP-RNCFNFMXSA-N 0 0 286.778 2.886 20 10 CFCDRN CC(C)(CNC(=O)NCc1ccccc1O)c1cccnc1 ZINC000840275253 631815235 /nfs/dbraw/zinc/81/52/35/631815235.db2.gz CDHVWLTWNDMOIV-UHFFFAOYSA-N 0 0 299.374 2.564 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(C2CC2)C1 ZINC000813080571 631828771 /nfs/dbraw/zinc/82/87/71/631828771.db2.gz FKYXUYJYSGIEPY-UHFFFAOYSA-N 0 0 297.402 2.614 20 10 CFCDRN CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O ZINC000155966661 650038543 /nfs/dbraw/zinc/03/85/43/650038543.db2.gz AKTPSIXFZSQHST-GOEBONIOSA-N 0 0 293.407 2.876 20 10 CFCDRN CC(C)n1ccc(Cc2nc(Cc3ccc(N)cc3)no2)n1 ZINC000843158670 631870086 /nfs/dbraw/zinc/87/00/86/631870086.db2.gz GFZGXEXGJAFBEU-UHFFFAOYSA-N 0 0 297.362 2.611 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2c(C)cccc2C)c1 ZINC000155979660 650038329 /nfs/dbraw/zinc/03/83/29/650038329.db2.gz DLMWTUGSFFIQCV-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN Cc1nnc2cc(N[C@@H](C)c3ccc(N(C)C)cc3)ncn12 ZINC000840288720 631912994 /nfs/dbraw/zinc/91/29/94/631912994.db2.gz LVAHPIOFTHAMQL-NSHDSACASA-N 0 0 296.378 2.672 20 10 CFCDRN CCn1nc(C)c(-c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000843289597 631919554 /nfs/dbraw/zinc/91/95/54/631919554.db2.gz VRULOYSTISHRBM-UHFFFAOYSA-N 0 0 299.403 2.903 20 10 CFCDRN COCC1(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000843419412 631949562 /nfs/dbraw/zinc/94/95/62/631949562.db2.gz VVZFIANVLZULOJ-UHFFFAOYSA-N 0 0 269.772 2.952 20 10 CFCDRN CC[C@H]1CCN1C(=O)NCCCSc1nccs1 ZINC000813681447 631949789 /nfs/dbraw/zinc/94/97/89/631949789.db2.gz PAJNCKNMDLHEPJ-JTQLQIEISA-N 0 0 285.438 2.819 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420774 631951252 /nfs/dbraw/zinc/95/12/52/631951252.db2.gz HCOOBWQKHWURPP-OTYXRUKQSA-N 0 0 285.746 2.796 20 10 CFCDRN COc1ccc(CNc2ncc3c(n2)CCCC3)c(O)c1 ZINC000840295369 631955039 /nfs/dbraw/zinc/95/50/39/631955039.db2.gz CVKLZFMZIYZIBO-UHFFFAOYSA-N 0 0 285.347 2.682 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C(F)F)CC1 ZINC000843550415 631983417 /nfs/dbraw/zinc/98/34/17/631983417.db2.gz KHYHNDFNRNIQNX-UHFFFAOYSA-N 0 0 282.334 2.723 20 10 CFCDRN CCN(CC)c1ccc(CN2CCO[C@H]3C[C@H]32)cc1F ZINC000814172264 632022221 /nfs/dbraw/zinc/02/22/21/632022221.db2.gz FWURSMKEOICLEP-CVEARBPZSA-N 0 0 278.371 2.645 20 10 CFCDRN CN1CCCc2cc(CNC(=S)NC3CCC3)ccc21 ZINC000814197056 632032549 /nfs/dbraw/zinc/03/25/49/632032549.db2.gz QWSXOEPDUDUIKU-UHFFFAOYSA-N 0 0 289.448 2.586 20 10 CFCDRN COCC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000843759035 632050089 /nfs/dbraw/zinc/05/00/89/632050089.db2.gz YWYDYRMJZORITK-UHFFFAOYSA-N 0 0 290.407 2.528 20 10 CFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(F)CC1 ZINC000843776711 632054201 /nfs/dbraw/zinc/05/42/01/632054201.db2.gz VRUYYWPCDWYALF-UHFFFAOYSA-N 0 0 276.355 2.795 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC2(CCC2)C1 ZINC000843851253 632066771 /nfs/dbraw/zinc/06/67/71/632066771.db2.gz MAZPNARMCFXZDA-LLVKDONJSA-N 0 0 289.375 2.725 20 10 CFCDRN CC1(CC(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000844006656 632094436 /nfs/dbraw/zinc/09/44/36/632094436.db2.gz FZXRSVVIKKJCCJ-HYXAFXHYSA-N 0 0 297.301 2.615 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2ccncc2)C1 ZINC000844140742 632126172 /nfs/dbraw/zinc/12/61/72/632126172.db2.gz BGJSWPIVKJSYEE-LBPRGKRZSA-N 0 0 288.372 2.869 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(Cl)n2C)cc1 ZINC000844352895 632176730 /nfs/dbraw/zinc/17/67/30/632176730.db2.gz BTXXYRXKXLCCCI-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN COc1ccc(N(C)Cc2cncc(OC)c2)cc1 ZINC000844357004 632179200 /nfs/dbraw/zinc/17/92/00/632179200.db2.gz YMCQZVFXOGJSGD-UHFFFAOYSA-N 0 0 258.321 2.735 20 10 CFCDRN CCOC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815092635 632200754 /nfs/dbraw/zinc/20/07/54/632200754.db2.gz MRVKELKLBNICNF-MRXNPFEDSA-N 0 0 290.407 2.589 20 10 CFCDRN CCN(C)c1ccc(CN(CC2CCOCC2)OC)cc1 ZINC000815112320 632203293 /nfs/dbraw/zinc/20/32/93/632203293.db2.gz OIZCYYGAJBOGCR-UHFFFAOYSA-N 0 0 292.423 2.933 20 10 CFCDRN C[C@@H](F)CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000815149664 632218224 /nfs/dbraw/zinc/21/82/24/632218224.db2.gz VMQVOIHWEPSLRD-SSDOTTSWSA-N 0 0 276.695 2.792 20 10 CFCDRN COC/C(C)=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000844485975 632229204 /nfs/dbraw/zinc/22/92/04/632229204.db2.gz SFYPMMAWXSCMKC-KXXVWKPMSA-N 0 0 276.380 2.523 20 10 CFCDRN CC(C)(C)n1nccc1NC(=O)C1=CC(=O)CS1 ZINC000856279727 635774092 /nfs/dbraw/zinc/77/40/92/635774092.db2.gz HFNDXVHHSQTRPH-UHFFFAOYSA-N 0 0 265.338 2.658 20 10 CFCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583187 632292093 /nfs/dbraw/zinc/29/20/93/632292093.db2.gz YWGNHAGKMFMJKO-IUCAKERBSA-N 0 0 277.286 2.833 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](F)C(C)C)cc1 ZINC000844856865 632323614 /nfs/dbraw/zinc/32/36/14/632323614.db2.gz WHJPZQYAFHQEPI-OAHLLOKOSA-N 0 0 296.386 2.584 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000815835510 632325475 /nfs/dbraw/zinc/32/54/75/632325475.db2.gz VZNNVDMHGBKEDG-QOZQQMKHSA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC2CC(C)(C)C2)c1 ZINC000815835162 632325574 /nfs/dbraw/zinc/32/55/74/632325574.db2.gz LNVXHZLAJGXGBW-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]1CC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845191552 632381812 /nfs/dbraw/zinc/38/18/12/632381812.db2.gz JHSGETBUWRUXLY-LDYMZIIASA-N 0 0 268.744 2.643 20 10 CFCDRN C[C@@H]1CC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000845191549 632382194 /nfs/dbraw/zinc/38/21/94/632382194.db2.gz JHSGETBUWRUXLY-KCJUWKMLSA-N 0 0 268.744 2.643 20 10 CFCDRN CC/C=C\CNC(=O)NCc1cc(Cl)ccc1O ZINC000845233505 632391191 /nfs/dbraw/zinc/39/11/91/632391191.db2.gz RVQPTVPPCAHOQH-ARJAWSKDSA-N 0 0 268.744 2.811 20 10 CFCDRN Oc1c(CN2CCc3c[nH]nc3C2)ccc2ccccc21 ZINC000816514429 632475482 /nfs/dbraw/zinc/47/54/82/632475482.db2.gz XWZYMJBKJOKCNA-UHFFFAOYSA-N 0 0 279.343 2.827 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000816553564 632482861 /nfs/dbraw/zinc/48/28/61/632482861.db2.gz ZSTAXHBYOOFDFI-KOLCDFICSA-N 0 0 287.762 2.825 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCNc1ccccn1 ZINC000816563377 632484977 /nfs/dbraw/zinc/48/49/77/632484977.db2.gz WCPWTKHRKDAUPF-UHFFFAOYSA-N 0 0 295.745 2.781 20 10 CFCDRN C[C@@H]1CCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816563205 632485465 /nfs/dbraw/zinc/48/54/65/632485465.db2.gz NWABSHBEWOWYAR-SNVBAGLBSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000816567632 632486756 /nfs/dbraw/zinc/48/67/56/632486756.db2.gz HUHDNQDLEHWQJU-SECBINFHSA-N 0 0 273.735 2.701 20 10 CFCDRN C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816571720 632487621 /nfs/dbraw/zinc/48/76/21/632487621.db2.gz NTKIVWSRVKEYAA-UWVGGRQHSA-N 0 0 286.778 2.709 20 10 CFCDRN C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816586999 632490286 /nfs/dbraw/zinc/49/02/86/632490286.db2.gz ZWMFSPUXOPBKMJ-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)O ZINC000816653133 632504777 /nfs/dbraw/zinc/50/47/77/632504777.db2.gz HMNAWGLGRYTYQI-LLVKDONJSA-N 0 0 275.751 2.824 20 10 CFCDRN Cc1nn(C)c(NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] ZINC000845708539 632530344 /nfs/dbraw/zinc/53/03/44/632530344.db2.gz GDVZLOGRKCJXFK-UHFFFAOYSA-N 0 0 296.714 2.608 20 10 CFCDRN COCc1nc(C)cc(NCc2cc(Cl)ccc2O)n1 ZINC000845709467 632530562 /nfs/dbraw/zinc/53/05/62/632530562.db2.gz RAMFIERSSOBJFF-UHFFFAOYSA-N 0 0 293.754 2.903 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1nc2cnccc2s1 ZINC000816888893 632531081 /nfs/dbraw/zinc/53/10/81/632531081.db2.gz BQPIFZNVPITNTF-UHFFFAOYSA-N 0 0 299.355 2.669 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1C[C@H]1C1CCCC1 ZINC000845833099 632577459 /nfs/dbraw/zinc/57/74/59/632577459.db2.gz HWIDVBOYEVETCN-KBPBESRZSA-N 0 0 259.349 2.835 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1C1CCCC1 ZINC000845832587 632577736 /nfs/dbraw/zinc/57/77/36/632577736.db2.gz DGIPNJWHPXUUHJ-KGLIPLIRSA-N 0 0 289.375 2.583 20 10 CFCDRN CCCC(C)(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000845834340 632577828 /nfs/dbraw/zinc/57/78/28/632577828.db2.gz SRLKBUDFTTXCKD-UHFFFAOYSA-N 0 0 265.353 2.583 20 10 CFCDRN CCC[C@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000845860433 632585010 /nfs/dbraw/zinc/58/50/10/632585010.db2.gz XOKBAZBJJFNJBI-ZDUSSCGKSA-N 0 0 298.452 2.669 20 10 CFCDRN CC[C@H](C)CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845996408 632609939 /nfs/dbraw/zinc/60/99/39/632609939.db2.gz PNRXUTWBQAEUJV-VIFPVBQESA-N 0 0 291.800 2.511 20 10 CFCDRN COc1ccc(N(C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000845997626 632610786 /nfs/dbraw/zinc/61/07/86/632610786.db2.gz AHFUMLXQMVAWDN-UHFFFAOYSA-N 0 0 296.374 2.991 20 10 CFCDRN COC1([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000817420343 632628513 /nfs/dbraw/zinc/62/85/13/632628513.db2.gz SBEJJYNRQKLYAG-NSHDSACASA-N 0 0 299.798 2.719 20 10 CFCDRN C[C@H](COCC1CC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000846073407 632629339 /nfs/dbraw/zinc/62/93/39/632629339.db2.gz MUOMFZJGUZPRNZ-SNVBAGLBSA-N 0 0 269.772 2.950 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC1(CO)CCC1 ZINC000846102638 632631822 /nfs/dbraw/zinc/63/18/22/632631822.db2.gz PQUYEFBHCQLUFI-UHFFFAOYSA-N 0 0 287.762 2.827 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000846114663 632637340 /nfs/dbraw/zinc/63/73/40/632637340.db2.gz XETUXAUBMSWCAV-UHFFFAOYSA-N 0 0 292.335 2.731 20 10 CFCDRN Fc1cc(CN2CCC[C@H](F)C2)ccc1N1CCOCC1 ZINC000846119969 632640141 /nfs/dbraw/zinc/64/01/41/632640141.db2.gz LPKIBIHXVLYPMQ-AWEZNQCLSA-N 0 0 296.361 2.596 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000817512171 632655211 /nfs/dbraw/zinc/65/52/11/632655211.db2.gz FMKMSAMBVKYHLA-UHFFFAOYSA-N 0 0 285.391 2.963 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(OC)cc1O ZINC000817598967 632673824 /nfs/dbraw/zinc/67/38/24/632673824.db2.gz HHTQLJAFUARCAS-UHFFFAOYSA-N 0 0 288.347 2.611 20 10 CFCDRN O=C(C[C@H]1CCCC[C@@H]1O)NCc1cc(Cl)ccc1O ZINC000846473053 632715392 /nfs/dbraw/zinc/71/53/92/632715392.db2.gz IAPMZXCWQBMPSD-MFKMUULPSA-N 0 0 297.782 2.603 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCCS1 ZINC000846473628 632715443 /nfs/dbraw/zinc/71/54/43/632715443.db2.gz NMWZNFZDDLNWNH-GFCCVEGCSA-N 0 0 285.796 2.948 20 10 CFCDRN CCCSCC(=O)NCc1cc(Cl)ccc1O ZINC000846472890 632715524 /nfs/dbraw/zinc/71/55/24/632715524.db2.gz NRDANAUFBLSQGW-UHFFFAOYSA-N 0 0 273.785 2.805 20 10 CFCDRN C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CC1(F)F ZINC000846475324 632716382 /nfs/dbraw/zinc/71/63/82/632716382.db2.gz CCVBCIAHHLCILN-NSHDSACASA-N 0 0 275.682 2.707 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@H]1C(F)F ZINC000846476648 632717242 /nfs/dbraw/zinc/71/72/42/632717242.db2.gz OEEHFVJJPWXNCL-IUCAKERBSA-N 0 0 275.682 2.563 20 10 CFCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCCCO1 ZINC000846476586 632717623 /nfs/dbraw/zinc/71/76/23/632717623.db2.gz NLSXANQHQJNKBT-CQSZACIVSA-N 0 0 283.755 2.621 20 10 CFCDRN O=C(C=C1CCC1)NCc1cc(Cl)ccc1O ZINC000846477870 632717940 /nfs/dbraw/zinc/71/79/40/632717940.db2.gz WDVLOZNCNNOXJN-UHFFFAOYSA-N 0 0 251.713 2.772 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846477931 632718196 /nfs/dbraw/zinc/71/81/96/632718196.db2.gz XUQXVQSTUYKYBZ-MRVPVSSYSA-N 0 0 273.785 2.661 20 10 CFCDRN C[C@@]1(CCNC(=O)Cc2ccc(N)cc2)C[C@@]1(F)Cl ZINC000846687994 632774660 /nfs/dbraw/zinc/77/46/60/632774660.db2.gz QFGXNTLTDINAEM-KGLIPLIRSA-N 0 0 284.762 2.632 20 10 CFCDRN COc1ccc(N2CCN(c3nccs3)CC2)cc1F ZINC000846753702 632786696 /nfs/dbraw/zinc/78/66/96/632786696.db2.gz SPBGLCVHADAJIG-UHFFFAOYSA-N 0 0 293.367 2.617 20 10 CFCDRN CCOc1ccc(N(C)Cc2cc(C(C)=O)no2)cc1 ZINC000846808139 632804270 /nfs/dbraw/zinc/80/42/70/632804270.db2.gz WDYAGFHBOCUXGN-UHFFFAOYSA-N 0 0 274.320 2.912 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cnsn1 ZINC000846839437 632817209 /nfs/dbraw/zinc/81/72/09/632817209.db2.gz FDMILYITRJYCIT-UHFFFAOYSA-N 0 0 275.377 2.890 20 10 CFCDRN CCn1nc(C)c(CN[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000818345100 632833449 /nfs/dbraw/zinc/83/34/49/632833449.db2.gz JJFCKIUVRIUBSI-SECBINFHSA-N 0 0 294.786 2.816 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1cnsn1)CCC2 ZINC000846992530 632873214 /nfs/dbraw/zinc/87/32/14/632873214.db2.gz DJLRPQZSKDTLNT-UHFFFAOYSA-N 0 0 291.376 2.508 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C(C)=O)no2)cc1 ZINC000847009273 632878822 /nfs/dbraw/zinc/87/88/22/632878822.db2.gz PGKNQHWCMOUQFF-UHFFFAOYSA-N 0 0 260.293 2.522 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000818631458 632884556 /nfs/dbraw/zinc/88/45/56/632884556.db2.gz GBFRZOJDMZMDNM-ZUZCIYMTSA-N 0 0 277.364 2.694 20 10 CFCDRN CC[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCCCO1 ZINC000847301391 632970298 /nfs/dbraw/zinc/97/02/98/632970298.db2.gz AGIGNAZCPPBYGQ-HIFRSBDPSA-N 0 0 292.379 2.539 20 10 CFCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000847303892 632970420 /nfs/dbraw/zinc/97/04/20/632970420.db2.gz DWUYBYQVSKQTCT-UHFFFAOYSA-N 0 0 288.347 2.626 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C)c1O ZINC000819399477 633149010 /nfs/dbraw/zinc/14/90/10/633149010.db2.gz VMPRGGJURBAIHQ-AAEUAGOBSA-N 0 0 277.364 2.843 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncccn1 ZINC000840384358 633161845 /nfs/dbraw/zinc/16/18/45/633161845.db2.gz IRSOOMZIOWSBQH-CYBMUJFWSA-N 0 0 270.380 2.894 20 10 CFCDRN C[C@H](NC(=O)/C=C\[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000819501778 633187317 /nfs/dbraw/zinc/18/73/17/633187317.db2.gz KWGLPAOOEQHSKR-LNCSJBFCSA-N 0 0 288.391 2.665 20 10 CFCDRN Cc1noc(CN(C)Cc2c(O)ccc3ccccc32)n1 ZINC000848503768 633268298 /nfs/dbraw/zinc/26/82/98/633268298.db2.gz PEUWULHHLDPMII-UHFFFAOYSA-N 0 0 283.331 2.869 20 10 CFCDRN Cc1cc(O)c(CN2Cc3ccccc3NC(=O)C2)cc1C ZINC000848500258 633268397 /nfs/dbraw/zinc/26/83/97/633268397.db2.gz WSPVDRBIUOTTDD-UHFFFAOYSA-N 0 0 296.370 2.963 20 10 CFCDRN Cc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1O ZINC000848639347 633305643 /nfs/dbraw/zinc/30/56/43/633305643.db2.gz IERDOFHNTMNICZ-FPMFFAJLSA-N 0 0 291.391 2.926 20 10 CFCDRN CCc1cccc(CN(CCOC)CC(F)(F)F)c1O ZINC000848884162 633360054 /nfs/dbraw/zinc/36/00/54/633360054.db2.gz YYKPKHQSZFRHSW-UHFFFAOYSA-N 0 0 291.313 2.965 20 10 CFCDRN CCC[C@](C)(NCc1cccc(CC)c1O)C(=O)OC ZINC000848891720 633379509 /nfs/dbraw/zinc/37/95/09/633379509.db2.gz YRNADXYCCXHXDC-INIZCTEOSA-N 0 0 279.380 2.776 20 10 CFCDRN CCc1cccc(CN2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c1O ZINC000848911222 633396265 /nfs/dbraw/zinc/39/62/65/633396265.db2.gz RZNGIKVZRSBGLL-VHPWJVAPSA-N 0 0 295.448 2.686 20 10 CFCDRN CCCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028287 633469360 /nfs/dbraw/zinc/46/93/60/633469360.db2.gz GWCFMIRMESGMIT-UHFFFAOYSA-N 0 0 276.167 2.723 20 10 CFCDRN CCCC[C@](C)(F)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000849845293 633741107 /nfs/dbraw/zinc/74/11/07/633741107.db2.gz CTGUBEBELRNZFQ-HNNXBMFYSA-N 0 0 298.310 2.742 20 10 CFCDRN C[C@H]([NH2+]CCc1cscn1)c1ccc(F)cc1[O-] ZINC000108942280 633744435 /nfs/dbraw/zinc/74/44/35/633744435.db2.gz VIOGXXMOAWUKBV-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)OCC(F)(F)F ZINC000850000063 633787043 /nfs/dbraw/zinc/78/70/43/633787043.db2.gz IAZDSRBEOBLCBF-UHFFFAOYSA-N 0 0 291.703 2.994 20 10 CFCDRN COC(=O)C(C)(C)C(=O)CSc1ncc(Cl)s1 ZINC000850000083 633787135 /nfs/dbraw/zinc/78/71/35/633787135.db2.gz IVNMQYJUWJRHNB-UHFFFAOYSA-N 0 0 293.797 2.657 20 10 CFCDRN CC[C@@H](C)NC(=O)CSc1ncc(Cl)s1 ZINC000849997627 633787200 /nfs/dbraw/zinc/78/72/00/633787200.db2.gz BEPHIXKWLWVZHD-ZCFIWIBFSA-N 0 0 264.803 2.803 20 10 CFCDRN CC(C)(C)n1nnc(CSc2ncc(Cl)s2)n1 ZINC000850001763 633787632 /nfs/dbraw/zinc/78/76/32/633787632.db2.gz MYOYFNNKZCXQAY-UHFFFAOYSA-N 0 0 289.817 2.830 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850369186 633958554 /nfs/dbraw/zinc/95/85/54/633958554.db2.gz GJPQHONJSAYINP-SECBINFHSA-N 0 0 285.746 2.986 20 10 CFCDRN CC[C@@H]([NH2+]CC[C@H](COC)OC)c1ccc(F)cc1[O-] ZINC000850485592 634014341 /nfs/dbraw/zinc/01/43/41/634014341.db2.gz LSZDPCGTFMPBMH-TZMCWYRMSA-N 0 0 285.359 2.624 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](COC)OC)c1ccc(F)cc1[O-] ZINC000850485590 634014817 /nfs/dbraw/zinc/01/48/17/634014817.db2.gz LSZDPCGTFMPBMH-JSGCOSHPSA-N 0 0 285.359 2.624 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C=CCC2)c1 ZINC000850510053 634023719 /nfs/dbraw/zinc/02/37/19/634023719.db2.gz RAUZPKGVZBQADR-JQWIXIFHSA-N 0 0 261.321 2.548 20 10 CFCDRN C[C@H]([NH2+]CCc1ccoc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850530844 634037765 /nfs/dbraw/zinc/03/77/65/634037765.db2.gz FBIHUOWENZAZMB-JTQLQIEISA-N 0 0 276.292 2.787 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@](C)(C(F)F)C2)cc1 ZINC000852784190 634836255 /nfs/dbraw/zinc/83/62/55/634836255.db2.gz FSCXZTAEFADCNK-HNNXBMFYSA-N 0 0 284.350 2.609 20 10 CFCDRN Cc1cc(CO)cc(NCc2ccc(N(C)C)cc2)n1 ZINC000853093872 634902609 /nfs/dbraw/zinc/90/26/09/634902609.db2.gz MAFZTVJLQHWJPO-UHFFFAOYSA-N 0 0 271.364 2.560 20 10 CFCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@](C)(C(F)F)O1 ZINC000853321247 634967743 /nfs/dbraw/zinc/96/77/43/634967743.db2.gz MCKDTNCFRWFCPL-LKFCYVNXSA-N 0 0 299.321 2.545 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNc1cc(F)ncn1 ZINC000853343078 634976726 /nfs/dbraw/zinc/97/67/26/634976726.db2.gz VXJUUSNGNCQGIL-UHFFFAOYSA-N 0 0 260.316 2.602 20 10 CFCDRN Cc1cc(CO)cc(NCc2ccc(N(C)C)cc2C)n1 ZINC000853342571 634976989 /nfs/dbraw/zinc/97/69/89/634976989.db2.gz MXIRBWCIJVXAPU-UHFFFAOYSA-N 0 0 285.391 2.869 20 10 CFCDRN COc1cc(C)cc(CN(C)Cc2nnc(C)s2)c1O ZINC000853617942 635050450 /nfs/dbraw/zinc/05/04/50/635050450.db2.gz UINCIOXZJYALGH-UHFFFAOYSA-N 0 0 293.392 2.501 20 10 CFCDRN OC1(CCOc2ccc(N3CCCC3)cc2)CCC1 ZINC000853675326 635070610 /nfs/dbraw/zinc/07/06/10/635070610.db2.gz 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/nfs/dbraw/zinc/27/73/34/635277334.db2.gz NBUCWIIXZKZRGZ-BMFZPTHFSA-N 0 0 272.392 2.805 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C2CC3(CC3)C2)cc1 ZINC000854324694 635289972 /nfs/dbraw/zinc/28/99/72/635289972.db2.gz NBFYXVYFWOPZDQ-UHFFFAOYSA-N 0 0 272.392 2.901 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)c2ncccc2F)cc1 ZINC000854324480 635290066 /nfs/dbraw/zinc/29/00/66/635290066.db2.gz LMBUABUIKLHROI-UHFFFAOYSA-N 0 0 287.338 2.559 20 10 CFCDRN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)C1=CC(=O)CS1 ZINC000854424075 635303066 /nfs/dbraw/zinc/30/30/66/635303066.db2.gz NUZZXZMSBWXILA-MNOVXSKESA-N 0 0 283.393 2.609 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCOCC12CCCCC2 ZINC000854850865 635408521 /nfs/dbraw/zinc/40/85/21/635408521.db2.gz NLFNZWNKESEGOI-UHFFFAOYSA-N 0 0 281.377 2.629 20 10 CFCDRN CCC/C=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855227508 635489802 /nfs/dbraw/zinc/48/98/02/635489802.db2.gz XEFJFLIBCGZNKB-GXMNPTEKSA-N 0 0 288.391 2.746 20 10 CFCDRN CC[C@H](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855226069 635489833 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ZINC000863484993 637675383 /nfs/dbraw/zinc/67/53/83/637675383.db2.gz RCZZVQQZYNHMFF-LDYMZIIASA-N 0 0 289.206 2.929 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CC2)CC1 ZINC000863643437 637724122 /nfs/dbraw/zinc/72/41/22/637724122.db2.gz YAECWDREXQTENV-HWKANZROSA-N 0 0 287.359 2.904 20 10 CFCDRN CCCCOC(=O)CN(CCC)Cc1ccccc1O ZINC000076074084 650365331 /nfs/dbraw/zinc/36/53/31/650365331.db2.gz TWMXFZUSHSEDMZ-UHFFFAOYSA-N 0 0 279.380 2.948 20 10 CFCDRN COc1cccc(CNc2cccc(-n3nccn3)c2)c1O ZINC000864042929 637839713 /nfs/dbraw/zinc/83/97/13/637839713.db2.gz DOBUMJDCVIRFCT-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000864053000 637846290 /nfs/dbraw/zinc/84/62/90/637846290.db2.gz DXWZFHIGTUXMDG-LLVKDONJSA-N 0 0 285.334 2.653 20 10 CFCDRN COC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000189644218 650393606 /nfs/dbraw/zinc/39/36/06/650393606.db2.gz YHYFHVQCVZHVLI-UHFFFAOYSA-N 0 0 285.343 2.875 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCO ZINC000864949652 638134801 /nfs/dbraw/zinc/13/48/01/638134801.db2.gz MALOISDPBDPWQX-UHFFFAOYSA-N 0 0 292.423 2.652 20 10 CFCDRN CCCN(CCC)c1ccc([C@@H]2NC(=O)CN2CC)cc1 ZINC000189869661 650398998 /nfs/dbraw/zinc/39/89/98/650398998.db2.gz XKSCBZCEJNHGCU-QGZVFWFLSA-N 0 0 289.423 2.763 20 10 CFCDRN C[C@@H](NC(=S)NC1(C)CCC1)c1ccccc1O ZINC000865269611 638249630 /nfs/dbraw/zinc/24/96/30/638249630.db2.gz SOBSOIQDYOZLDQ-SNVBAGLBSA-N 0 0 264.394 2.860 20 10 CFCDRN CC[C@H](C)NC(=S)N[C@@H](C)c1ccccc1O ZINC000865270077 638250379 /nfs/dbraw/zinc/25/03/79/638250379.db2.gz JLNKNJJXDCJWLY-UWVGGRQHSA-N 0 0 252.383 2.716 20 10 CFCDRN COC(=O)c1cc(OCc2nccs2)ccc1N(C)C ZINC000865396638 638307326 /nfs/dbraw/zinc/30/73/26/638307326.db2.gz XKNRINKILSTFCP-UHFFFAOYSA-N 0 0 292.360 2.575 20 10 CFCDRN CN(Cc1ccccc1O)c1nccn2nc(C3CC3)cc12 ZINC000865647208 638485363 /nfs/dbraw/zinc/48/53/63/638485363.db2.gz RLIJMKMDKFFFCB-UHFFFAOYSA-N 0 0 294.358 2.949 20 10 CFCDRN CN(C)c1cc(F)c(CNCc2ccnc(F)c2)cc1F ZINC000865722922 638535163 /nfs/dbraw/zinc/53/51/63/638535163.db2.gz RXGMXUITDVIAIG-UHFFFAOYSA-N 0 0 295.308 2.855 20 10 CFCDRN CCCNc1cc(NCc2ccc(OC)cc2O)ncn1 ZINC000865750125 638551571 /nfs/dbraw/zinc/55/15/71/638551571.db2.gz KRTUPEAZXVKKPX-UHFFFAOYSA-N 0 0 288.351 2.625 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCSC)c1 ZINC000077668675 650440779 /nfs/dbraw/zinc/44/07/79/650440779.db2.gz NFTKMWICZQHRCO-JTQLQIEISA-N 0 0 298.408 2.514 20 10 CFCDRN CCOC(=O)c1cnc(N[C@H](C)c2ccccc2O)cn1 ZINC000866237821 638776954 /nfs/dbraw/zinc/77/69/54/638776954.db2.gz KFHPWUAMLWKSJQ-SNVBAGLBSA-N 0 0 287.319 2.532 20 10 CFCDRN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(Cl)cc1[O-] ZINC000866443162 638821809 /nfs/dbraw/zinc/82/18/09/638821809.db2.gz WXFPBCDFKIZSNN-XVKPBYJWSA-N 0 0 279.714 2.712 20 10 CFCDRN CC/C=C(/F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866763060 638874420 /nfs/dbraw/zinc/87/44/20/638874420.db2.gz CEODPFYRAFLFOS-JOZRWXFHSA-N 0 0 267.300 2.841 20 10 CFCDRN CCC(C)(C)CCS(=O)(=O)NCc1ccccc1O ZINC000866830825 638876937 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ZINC000868613413 638962130 /nfs/dbraw/zinc/96/21/30/638962130.db2.gz BHTWROIVFMLFOR-BXKDBHETSA-N 0 0 284.306 2.940 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CCCC1(F)F)c1ccccc1O ZINC000868613417 638962200 /nfs/dbraw/zinc/96/22/00/638962200.db2.gz BHTWROIVFMLFOR-JOYOIKCWSA-N 0 0 284.306 2.940 20 10 CFCDRN CC[C@H](C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868664047 638967333 /nfs/dbraw/zinc/96/73/33/638967333.db2.gz VDNVJGPZPGHLCD-HUBLWGQQSA-N 0 0 294.395 2.814 20 10 CFCDRN CCC(C)(C)OCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868691933 638969486 /nfs/dbraw/zinc/96/94/86/638969486.db2.gz CTDYSVATJDQETA-LBPRGKRZSA-N 0 0 294.395 2.958 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CS[C@@H](C)C1)c1ccccc1O ZINC000868704068 638971357 /nfs/dbraw/zinc/97/13/57/638971357.db2.gz NXYQAAAIXYGGJJ-GARJFASQSA-N 0 0 280.393 2.646 20 10 CFCDRN C[C@H](NC(=O)NC[C@H]1CCC[C@H](C)O1)c1ccccc1O ZINC000868775894 638978341 /nfs/dbraw/zinc/97/83/41/638978341.db2.gz VKWGKKYDPXAOBM-RWMBFGLXSA-N 0 0 292.379 2.710 20 10 CFCDRN C[C@@H](NC(=O)NCC[C@@H]1CCSC1)c1ccccc1O ZINC000868825586 638982919 /nfs/dbraw/zinc/98/29/19/638982919.db2.gz ZTHNPFJNAAWJKB-VXGBXAGGSA-N 0 0 294.420 2.896 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H]2CCCC23CC3)c(O)c1 ZINC000868846671 638985514 /nfs/dbraw/zinc/98/55/14/638985514.db2.gz NTYPMNWEDDITPZ-AWEZNQCLSA-N 0 0 290.363 2.533 20 10 CFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)C(C)(C)C ZINC000869391470 639208022 /nfs/dbraw/zinc/20/80/22/639208022.db2.gz BXSCOYKEEIQAGK-SSDOTTSWSA-N 0 0 256.323 2.614 20 10 CFCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)C(C)(C)C ZINC000869444375 639234191 /nfs/dbraw/zinc/23/41/91/639234191.db2.gz ZSQGNVHNNYGRNZ-PCGIRMHASA-N 0 0 292.331 2.658 20 10 CFCDRN CC(=O)C(=O)COC(=O)Cc1csc2sc(C)cc12 ZINC000869944893 639475458 /nfs/dbraw/zinc/47/54/58/639475458.db2.gz QOPZEGYYTLARMD-UHFFFAOYSA-N 0 0 296.369 2.515 20 10 CFCDRN CC(C)COC[C@@H](O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191582056 650511946 /nfs/dbraw/zinc/51/19/46/650511946.db2.gz MCCBHBVBDUKBOE-INIZCTEOSA-N 0 0 295.423 2.944 20 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CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000871203416 641243097 /nfs/dbraw/zinc/24/30/97/641243097.db2.gz LNCUFGUXXCBXTR-UHFFFAOYSA-N 0 0 282.343 2.607 20 10 CFCDRN CCc1ncsc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203657 641243106 /nfs/dbraw/zinc/24/31/06/641243106.db2.gz PJNJSHSLHMUZMI-UHFFFAOYSA-N 0 0 274.345 2.567 20 10 CFCDRN COC1CCC(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203809 641243131 /nfs/dbraw/zinc/24/31/31/641243131.db2.gz RIYHIQVQMKKRBL-UHFFFAOYSA-N 0 0 289.375 2.830 20 10 CFCDRN O=C([C@H]1CCCCS1)N1Cc2cccc(O)c2C1 ZINC000871203504 641243397 /nfs/dbraw/zinc/24/33/97/641243397.db2.gz AXTGKZDCRSUZNI-CYBMUJFWSA-N 0 0 263.362 2.520 20 10 CFCDRN O=C(C(C1CC1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000871204258 641244000 /nfs/dbraw/zinc/24/40/00/641244000.db2.gz WOOLUYXTLDGLMV-UHFFFAOYSA-N 0 0 257.333 2.671 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204489 641244227 /nfs/dbraw/zinc/24/42/27/641244227.db2.gz LLTXHGHHSSGILW-BBRMVZONSA-N 0 0 259.349 2.917 20 10 CFCDRN C[C@H]1Cc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2O1 ZINC000871204124 641244344 /nfs/dbraw/zinc/24/43/44/641244344.db2.gz CVUBZTQSZAVRTM-NSHDSACASA-N 0 0 295.338 2.872 20 10 CFCDRN O=C([C@H]1CCc2cccc(O)c21)N1Cc2cccc(O)c2C1 ZINC000871205828 641244741 /nfs/dbraw/zinc/24/47/41/641244741.db2.gz ZMDWXAMVKWDGBM-ZDUSSCGKSA-N 0 0 295.338 2.670 20 10 CFCDRN CCCCn1nnnc1CNc1ccccc1NC(C)C ZINC000871845666 641479173 /nfs/dbraw/zinc/47/91/73/641479173.db2.gz GWMSKUNWXLXKDY-UHFFFAOYSA-N 0 0 288.399 2.906 20 10 CFCDRN CC[C@H](C)NC(=O)CNc1ccccc1NC(C)C ZINC000871847287 641480273 /nfs/dbraw/zinc/48/02/73/641480273.db2.gz NSWMYQRUMUSFJH-LBPRGKRZSA-N 0 0 263.385 2.834 20 10 CFCDRN CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])cc1C ZINC000871878405 641495197 /nfs/dbraw/zinc/49/51/97/641495197.db2.gz KEDYWCGRNTVGIN-OLZOCXBDSA-N 0 0 279.380 2.983 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(Cl)c1[O-] ZINC000872127639 641655235 /nfs/dbraw/zinc/65/52/35/641655235.db2.gz VIHGPNPKMQPCJG-KWBADKCTSA-N 0 0 269.772 2.857 20 10 CFCDRN CC[C@@H]([NH2+]Cc1nonc1C)c1cccc(Cl)c1[O-] ZINC000872137750 641665907 /nfs/dbraw/zinc/66/59/07/641665907.db2.gz WEOHIXMPEIQADT-LLVKDONJSA-N 0 0 281.743 2.978 20 10 CFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)c2cnn(C)c2n1 ZINC000872395549 641790433 /nfs/dbraw/zinc/79/04/33/641790433.db2.gz RRNSWFMKWGURMS-UHFFFAOYSA-N 0 0 295.390 2.955 20 10 CFCDRN CC[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000080612818 650694629 /nfs/dbraw/zinc/69/46/29/650694629.db2.gz FEYROBYPTTYFIC-NSHDSACASA-N 0 0 276.380 2.869 20 10 CFCDRN COc1cc(-c2nc3c(cccc3C)[nH]2)cc(O)c1O ZINC000194103947 650716837 /nfs/dbraw/zinc/71/68/37/650716837.db2.gz IIECQCHCRCNXPV-UHFFFAOYSA-N 0 0 270.288 2.958 20 10 CFCDRN [NH3+][C@H]1CCCCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000873216842 642071338 /nfs/dbraw/zinc/07/13/38/642071338.db2.gz ZACPOPHDDXFIIN-LBPRGKRZSA-N 0 0 268.788 2.749 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC000194120097 650718797 /nfs/dbraw/zinc/71/87/97/650718797.db2.gz WUOOTGKIXMIFFB-UHFFFAOYSA-N 0 0 297.763 2.785 20 10 CFCDRN Cc1noc2ncc(C(=O)N(C)Cc3ccccc3O)cc12 ZINC000194705794 650725623 /nfs/dbraw/zinc/72/56/23/650725623.db2.gz FWMXTJJOPYQWLZ-UHFFFAOYSA-N 0 0 297.314 2.509 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000124659966 642294702 /nfs/dbraw/zinc/29/47/02/642294702.db2.gz VADIKMGKQWVTHK-AWEZNQCLSA-N 0 0 277.751 2.869 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000874213476 642351830 /nfs/dbraw/zinc/35/18/30/642351830.db2.gz RMPZAHQIOJCROH-NSHDSACASA-N 0 0 286.335 2.935 20 10 CFCDRN CC(C)N(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC000874337478 642369476 /nfs/dbraw/zinc/36/94/76/642369476.db2.gz ICTCRZKSDIIIEZ-UHFFFAOYSA-N 0 0 274.324 2.862 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccccc1 ZINC000874750233 642467196 /nfs/dbraw/zinc/46/71/96/642467196.db2.gz GAUQOUCHHGKNIF-JSGCOSHPSA-N 0 0 291.372 2.696 20 10 CFCDRN CC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000082713083 650757505 /nfs/dbraw/zinc/75/75/05/650757505.db2.gz UFBGJBFIDHIYDF-UHFFFAOYSA-N 0 0 292.379 2.548 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875102775 642585058 /nfs/dbraw/zinc/58/50/58/642585058.db2.gz ULOHGFATNOFJAN-YPMHNXCESA-N 0 0 274.364 2.996 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875148025 642590549 /nfs/dbraw/zinc/59/05/49/642590549.db2.gz OBKMLOXDKMAHOS-MNOVXSKESA-N 0 0 262.353 2.852 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1O ZINC000875345937 642610969 /nfs/dbraw/zinc/61/09/69/642610969.db2.gz XFIHRMASBNSHLJ-QWRGUYRKSA-N 0 0 280.393 2.648 20 10 CFCDRN CC[C@@H]1CCC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875367478 642613985 /nfs/dbraw/zinc/61/39/85/642613985.db2.gz OZOASMIHYDFYGQ-BXUZGUMPSA-N 0 0 274.364 2.996 20 10 CFCDRN O=C(NCCCSc1nccs1)N(C1CC1)C1CC1 ZINC000875374712 642614782 /nfs/dbraw/zinc/61/47/82/642614782.db2.gz OINDVZSDDRLVQE-UHFFFAOYSA-N 0 0 297.449 2.962 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@H]1CC12CCC2 ZINC000875376247 642615837 /nfs/dbraw/zinc/61/58/37/642615837.db2.gz MDWKWHCDUBRHLN-JTQLQIEISA-N 0 0 297.449 2.867 20 10 CFCDRN O=C(NOC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000875514708 642632922 /nfs/dbraw/zinc/63/29/22/642632922.db2.gz YKULBJSBHAPURR-UHFFFAOYSA-N 0 0 276.336 2.682 20 10 CFCDRN O=C(N[C@@H]1CCCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000875584582 642646818 /nfs/dbraw/zinc/64/68/18/642646818.db2.gz GRSPMKPUZFMDGP-GFCCVEGCSA-N 0 0 282.290 2.605 20 10 CFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875660621 642661340 /nfs/dbraw/zinc/66/13/40/642661340.db2.gz KVUCGJROGPPSFQ-HOCLYGCPSA-N 0 0 274.364 2.852 20 10 CFCDRN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875692632 642667630 /nfs/dbraw/zinc/66/76/30/642667630.db2.gz OUHCMFZEBQGTRC-RAIGVLPGSA-N 0 0 272.348 2.606 20 10 CFCDRN CC(C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000875746008 642678647 /nfs/dbraw/zinc/67/86/47/642678647.db2.gz BDXXLIKXBJCEIZ-OAHLLOKOSA-N 0 0 274.364 2.852 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2=CCCCC2)cc1 ZINC000125592687 642687663 /nfs/dbraw/zinc/68/76/63/642687663.db2.gz TXVORCVJMWVMKB-UHFFFAOYSA-N 0 0 258.365 2.869 20 10 CFCDRN CCC[C@H](CNC(=O)N(C)Cc1ccccc1O)OCC ZINC000875782084 642689436 /nfs/dbraw/zinc/68/94/36/642689436.db2.gz JKKSNNNSZYQQEH-CQSZACIVSA-N 0 0 294.395 2.739 20 10 CFCDRN O=C(N[C@@H]1CCCC[C@@H]1F)N1Cc2cccc(O)c2C1 ZINC000876002556 642739259 /nfs/dbraw/zinc/73/92/59/642739259.db2.gz HTJCERRFLVEGGL-QWHCGFSZSA-N 0 0 278.327 2.698 20 10 CFCDRN COc1cc(N(C)CCCOC(C)C)cc(OC)c1OC ZINC000125752852 642768692 /nfs/dbraw/zinc/76/86/92/642768692.db2.gz QXAFQJLQMVBEAI-UHFFFAOYSA-N 0 0 297.395 2.964 20 10 CFCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000086784688 650797172 /nfs/dbraw/zinc/79/71/72/650797172.db2.gz VYVNIMRPDZKRLD-MRXNPFEDSA-N 0 0 277.364 2.777 20 10 CFCDRN COC(=O)c1cccc(C(=O)CSc2nccs2)c1 ZINC000125949567 642870647 /nfs/dbraw/zinc/87/06/47/642870647.db2.gz LRVUHCBPYDNNIC-UHFFFAOYSA-N 0 0 293.369 2.905 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000086809201 650797701 /nfs/dbraw/zinc/79/77/01/650797701.db2.gz LEHWXYQYPLQZOQ-AWEZNQCLSA-N 0 0 290.407 2.829 20 10 CFCDRN CCOC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876739691 642987683 /nfs/dbraw/zinc/98/76/83/642987683.db2.gz PQCHNKRQNVRXFV-LLVKDONJSA-N 0 0 285.334 2.919 20 10 CFCDRN Cc1ccc(CNc2cccc([C@H]3CNC(=O)C3)c2)c(O)c1 ZINC000876870448 643044253 /nfs/dbraw/zinc/04/42/53/643044253.db2.gz KTVIUUSPFAEBQC-OAHLLOKOSA-N 0 0 296.370 2.916 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(C)cc1O)C(=O)OC ZINC000876879557 643047466 /nfs/dbraw/zinc/04/74/66/643047466.db2.gz KXZYSCMSAZUSMO-OAHLLOKOSA-N 0 0 265.353 2.522 20 10 CFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCC[C@H](C)C1 ZINC000876932122 643070087 /nfs/dbraw/zinc/07/00/87/643070087.db2.gz DOQSYCGKVIOGCT-RYUDHWBXSA-N 0 0 298.377 2.880 20 10 CFCDRN C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876964999 643084442 /nfs/dbraw/zinc/08/44/42/643084442.db2.gz XXHARRVFRBOFEY-RYUDHWBXSA-N 0 0 298.377 2.880 20 10 CFCDRN [O-]c1c(C[NH2+]Cc2ccc3c(c2)CCO3)ccc(F)c1F ZINC000876995241 643097099 /nfs/dbraw/zinc/09/70/99/643097099.db2.gz CMJXZCHEZHGZCS-UHFFFAOYSA-N 0 0 291.297 2.895 20 10 CFCDRN CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877036269 643114867 /nfs/dbraw/zinc/11/48/67/643114867.db2.gz DZYPKWZWVUTRAL-GFCCVEGCSA-N 0 0 284.350 2.634 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)c2ccc(N)cc2)no1 ZINC000877075298 643137571 /nfs/dbraw/zinc/13/75/71/643137571.db2.gz CEYNZQOVMQQVJW-UHFFFAOYSA-N 0 0 259.309 2.657 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)c2ccc(N)cc2)cc(=O)[nH]1 ZINC000877075849 643138439 /nfs/dbraw/zinc/13/84/39/643138439.db2.gz JQQRMLYEDRSPPX-UHFFFAOYSA-N 0 0 285.347 2.769 20 10 CFCDRN CN(C(=O)c1cccnc1N1CCCC1)c1ccc(N)cc1 ZINC000877077984 643139225 /nfs/dbraw/zinc/13/92/25/643139225.db2.gz XTOONNMMZKPNSE-UHFFFAOYSA-N 0 0 296.374 2.541 20 10 CFCDRN COC1CCC(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877081012 643140514 /nfs/dbraw/zinc/14/05/14/643140514.db2.gz JEHYEAPZEYSKAR-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN CN(C(=O)Cc1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000877081316 643140567 /nfs/dbraw/zinc/14/05/67/643140567.db2.gz YCPUOHMVIBKTDJ-UHFFFAOYSA-N 0 0 280.371 2.963 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC[C@@H]1O ZINC000877081921 643140858 /nfs/dbraw/zinc/14/08/58/643140858.db2.gz TXZRCCJICRTYJN-SWLSCSKDSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877097738 643152036 /nfs/dbraw/zinc/15/20/36/643152036.db2.gz IKVUGELAICQJMO-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc(F)c1F ZINC000877125784 643164028 /nfs/dbraw/zinc/16/40/28/643164028.db2.gz ACGSIJGBOLIMIT-COLVAYQJSA-N 0 0 295.329 2.718 20 10 CFCDRN CO[C@](C)(CN(C)c1ccc2c(c1)OCO2)C1CC1 ZINC000877179421 643191556 /nfs/dbraw/zinc/19/15/56/643191556.db2.gz AGNBCVCJFSLQNM-OAHLLOKOSA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1cccc(O)c1CN[C@H](C)C(=O)OC(C)(C)C ZINC000877400626 643259756 /nfs/dbraw/zinc/25/97/56/643259756.db2.gz XJHQUYKHMNTWFQ-LLVKDONJSA-N 0 0 265.353 2.520 20 10 CFCDRN CCOC1CC([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000877530840 643333881 /nfs/dbraw/zinc/33/38/81/643333881.db2.gz ZDNYOIMNXMFPBB-UHFFFAOYSA-N 0 0 271.307 2.670 20 10 CFCDRN C/C(=C/c1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000126580652 643347989 /nfs/dbraw/zinc/34/79/89/643347989.db2.gz ZBXXUMZMJWMGMA-OWBHPGMISA-N 0 0 281.359 2.874 20 10 CFCDRN Cc1ccc(CN2C[C@H](CO)c3ccccc32)c(O)c1 ZINC000877549822 643350645 /nfs/dbraw/zinc/35/06/45/643350645.db2.gz IUCBEDDVIUHGGA-CQSZACIVSA-N 0 0 269.344 2.797 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877566322 643365358 /nfs/dbraw/zinc/36/53/58/643365358.db2.gz XXGIYBVGWBSXAB-JOYOIKCWSA-N 0 0 271.307 2.527 20 10 CFCDRN CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877611336 643398210 /nfs/dbraw/zinc/39/82/10/643398210.db2.gz PCIQSMYITFXBHV-CABZTGNLSA-N 0 0 273.323 2.557 20 10 CFCDRN Cc1noc([C@H](C)N(C)Cc2ccc(C)cc2O)n1 ZINC000877618923 643405274 /nfs/dbraw/zinc/40/52/74/643405274.db2.gz JDMXHGHDEKXQOG-JTQLQIEISA-N 0 0 261.325 2.585 20 10 CFCDRN COc1cc(CNC/C=C\c2ccc(N(C)C)cc2)on1 ZINC000877635281 643419210 /nfs/dbraw/zinc/41/92/10/643419210.db2.gz LDEACXFGWYGACD-PLNGDYQASA-N 0 0 287.363 2.552 20 10 CFCDRN C[N@H+](CC1=CCSC1)Cc1ccc(F)c(F)c1[O-] ZINC000877641536 643425245 /nfs/dbraw/zinc/42/52/45/643425245.db2.gz XMPNZAYXWWHHGB-UHFFFAOYSA-N 0 0 271.332 2.775 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCN2C2CCCC2)ccc(F)c1F ZINC000877657198 643437664 /nfs/dbraw/zinc/43/76/64/643437664.db2.gz XQBJEBDUJCKULL-ZDUSSCGKSA-N 0 0 296.361 2.777 20 10 CFCDRN [O-]c1c(C[N@H+]2CCc3c(O)cccc3C2)ccc(F)c1F ZINC000877658833 643438526 /nfs/dbraw/zinc/43/85/26/643438526.db2.gz YJTCMSYGJWTGFJ-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN CC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000877691724 643457925 /nfs/dbraw/zinc/45/79/25/643457925.db2.gz UNGFTVATXVHKEM-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CCOc1cncc(CN2Cc3cccc(O)c3C2)c1 ZINC000877702815 643466966 /nfs/dbraw/zinc/46/69/66/643466966.db2.gz IRIRQGOFMXFUSO-UHFFFAOYSA-N 0 0 270.332 2.702 20 10 CFCDRN CC(C)n1ccnc1CN1Cc2cccc(O)c2C1 ZINC000877702549 643467599 /nfs/dbraw/zinc/46/75/99/643467599.db2.gz AXBXTZGRPUCCFM-UHFFFAOYSA-N 0 0 257.337 2.685 20 10 CFCDRN Oc1cccc2c1CN(Cc1cccc3c1OCCO3)C2 ZINC000877703441 643469212 /nfs/dbraw/zinc/46/92/12/643469212.db2.gz JULSTHQRWQKRAG-UHFFFAOYSA-N 0 0 283.327 2.679 20 10 CFCDRN Cn1c(Cl)nc(Cl)c1CN1Cc2cccc(O)c2C1 ZINC000877703302 643469327 /nfs/dbraw/zinc/46/93/27/643469327.db2.gz AKUQCUYLOCDSPS-UHFFFAOYSA-N 0 0 298.173 2.948 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc(F)c1F ZINC000877737989 643501659 /nfs/dbraw/zinc/50/16/59/643501659.db2.gz MBDVXNRIKJFOIN-GHMZBOCLSA-N 0 0 285.359 2.855 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H](O)C2CCCC2)ccc(F)c1F ZINC000877779476 643555197 /nfs/dbraw/zinc/55/51/97/643555197.db2.gz WPUKOQXEFZRZDW-CYBMUJFWSA-N 0 0 285.334 2.701 20 10 CFCDRN CC(C)(O)[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877835925 643602323 /nfs/dbraw/zinc/60/23/23/643602323.db2.gz JQFKAMCNCKQIQT-SECBINFHSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1cccc2c1O[C@H](c1cc(C)c(C)cc1O)NC2=O ZINC000877843138 643606152 /nfs/dbraw/zinc/60/61/52/643606152.db2.gz NOSFFNDGWIPIHN-QGZVFWFLSA-N 0 0 299.326 2.839 20 10 CFCDRN CCOc1ccc(N(C)CCc2ccc(C(N)=O)cc2)cc1 ZINC000878126302 643749707 /nfs/dbraw/zinc/74/97/07/643749707.db2.gz WWACCMBUKPSFFV-UHFFFAOYSA-N 0 0 298.386 2.863 20 10 CFCDRN CCN(C[C@H]1CCO[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000878218200 643797202 /nfs/dbraw/zinc/79/72/02/643797202.db2.gz KLIMKWQKARAQBR-QWHCGFSZSA-N 0 0 279.380 2.955 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCc2ncnn21 ZINC000878328755 643842502 /nfs/dbraw/zinc/84/25/02/643842502.db2.gz FXILBJTVRFIMKH-AWEZNQCLSA-N 0 0 298.390 2.617 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)co2)c1 ZINC000878730270 644010188 /nfs/dbraw/zinc/01/01/88/644010188.db2.gz FSHIHIFBOXWDTI-SNVBAGLBSA-N 0 0 275.304 2.793 20 10 CFCDRN CCOc1ccc(N(CC2CC2)C[C@@H]2CCC(=O)N2)cc1 ZINC000879117505 644149109 /nfs/dbraw/zinc/14/91/09/644149109.db2.gz UUPNEDRSCFQBPM-AWEZNQCLSA-N 0 0 288.391 2.580 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccccc1O ZINC000127701495 644247589 /nfs/dbraw/zinc/24/75/89/644247589.db2.gz JYZGIWLWLLERDT-UHFFFAOYSA-N 0 0 255.317 2.964 20 10 CFCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2C)cc1 ZINC000091810669 650909282 /nfs/dbraw/zinc/90/92/82/650909282.db2.gz GMRBRTFIYOIUPD-CQSZACIVSA-N 0 0 262.397 2.754 20 10 CFCDRN CCn1ncc(C)c1NC(=O)N[C@H](C)c1ccccc1O ZINC000880101792 644532841 /nfs/dbraw/zinc/53/28/41/644532841.db2.gz QARAANVZHWMGKH-LLVKDONJSA-N 0 0 288.351 2.800 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000093277171 650936692 /nfs/dbraw/zinc/93/66/92/650936692.db2.gz CAVPHLQLIMCOEH-UHFFFAOYSA-N 0 0 297.782 2.963 20 10 CFCDRN COc1cc(N(C)Cc2cnoc2C)cc(OC)c1OC ZINC000128711532 644874602 /nfs/dbraw/zinc/87/46/02/644874602.db2.gz HGVLLIBOGOCRBM-UHFFFAOYSA-N 0 0 292.335 2.645 20 10 CFCDRN CC(=O)c1cc(Cl)cc(Cn2cc(C3CC3)nn2)c1O ZINC000880999998 644891743 /nfs/dbraw/zinc/89/17/43/644891743.db2.gz XQDKXPXOPSRSIT-UHFFFAOYSA-N 0 0 291.738 2.765 20 10 CFCDRN CCC[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881204398 644927478 /nfs/dbraw/zinc/92/74/78/644927478.db2.gz ITDDPCUYHDEJFS-NSHDSACASA-N 0 0 260.341 2.800 20 10 CFCDRN CSCc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377434 644964010 /nfs/dbraw/zinc/96/40/10/644964010.db2.gz NIOHUCUNTAMHSG-UHFFFAOYSA-N 0 0 276.409 2.564 20 10 CFCDRN COC(C)(C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377179 644964162 /nfs/dbraw/zinc/96/41/62/644964162.db2.gz HQRKTJZBVVBYOL-UHFFFAOYSA-N 0 0 288.395 2.582 20 10 CFCDRN Cc1cc(Cn2cc(C3CC3)nn2)ccc1N(C)C ZINC000881378004 644964385 /nfs/dbraw/zinc/96/43/85/644964385.db2.gz AUARCYIBMKESJE-UHFFFAOYSA-N 0 0 256.353 2.578 20 10 CFCDRN CCn1ncc(C(=O)N[C@@H](C)c2ccccc2O)c1C1CC1 ZINC000881441563 644975664 /nfs/dbraw/zinc/97/56/64/644975664.db2.gz ZFUYBGBLEGYMPA-NSHDSACASA-N 0 0 299.374 2.977 20 10 CFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)CC(F)F ZINC000881534922 645027229 /nfs/dbraw/zinc/02/72/29/645027229.db2.gz CDKXNBJIAGVBJN-UHFFFAOYSA-N 0 0 263.309 2.865 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](c2nccs2)C1 ZINC000881701537 645110428 /nfs/dbraw/zinc/11/04/28/645110428.db2.gz PLIUCFJKKIPMKM-MRVPVSSYSA-N 0 0 280.374 2.540 20 10 CFCDRN C[C@@H](Nc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000882202410 645242569 /nfs/dbraw/zinc/24/25/69/645242569.db2.gz CLUUVSFQDPBXPU-LLVKDONJSA-N 0 0 259.328 2.882 20 10 CFCDRN CC(C)c1cc(NS(=O)(=O)N(C)CC2CC2)ccc1O ZINC000882799199 645461051 /nfs/dbraw/zinc/46/10/51/645461051.db2.gz SXYQNYFTMGEZNT-UHFFFAOYSA-N 0 0 298.408 2.514 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882911703 645508076 /nfs/dbraw/zinc/50/80/76/645508076.db2.gz AUCMPLUGZJLFKJ-HNNXBMFYSA-N 0 0 293.313 2.802 20 10 CFCDRN CCc1ncc(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883136622 645621427 /nfs/dbraw/zinc/62/14/27/645621427.db2.gz IWZLUUGOWTWQES-UHFFFAOYSA-N 0 0 268.263 2.511 20 10 CFCDRN C[C@@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883182811 645645874 /nfs/dbraw/zinc/64/58/74/645645874.db2.gz LLMFWYAIWUBSEW-BMIGLBTASA-N 0 0 293.313 2.882 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccc(OC)nc1 ZINC000131226043 645664932 /nfs/dbraw/zinc/66/49/32/645664932.db2.gz MQWQHIOTBCTNPZ-UHFFFAOYSA-N 0 0 270.332 2.662 20 10 CFCDRN COc1cccc([C@@H](C)NC2(c3ncccn3)CCC2)c1O ZINC000883311646 645732753 /nfs/dbraw/zinc/73/27/53/645732753.db2.gz HUECHQYMEQEVAO-GFCCVEGCSA-N 0 0 299.374 2.921 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)c2cccs2)c1 ZINC000131480949 645735294 /nfs/dbraw/zinc/73/52/94/645735294.db2.gz OKLBVJFUIQTMKG-JTQLQIEISA-N 0 0 291.372 2.882 20 10 CFCDRN COc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000214623119 645847644 /nfs/dbraw/zinc/84/76/44/645847644.db2.gz DVEFFLBSEMHSOV-VURMDHGXSA-N 0 0 285.299 2.758 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1C=CCC1)c1ccccc1O ZINC000883785386 645972249 /nfs/dbraw/zinc/97/22/49/645972249.db2.gz QIZVTCNCAHIXNA-NEPJUHHUSA-N 0 0 260.337 2.719 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC2CC2)c1 ZINC000133214467 646058362 /nfs/dbraw/zinc/05/83/62/646058362.db2.gz HYACYKKUDVBCPA-LLVKDONJSA-N 0 0 292.379 2.951 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H](C)CC(C)C)c1O ZINC000133320086 646072940 /nfs/dbraw/zinc/07/29/40/646072940.db2.gz GVEDYBNUAAWWLF-NSHDSACASA-N 0 0 280.368 2.635 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1Cc2ccccc2S1 ZINC000133763422 646224653 /nfs/dbraw/zinc/22/46/53/646224653.db2.gz BTKYMYHNAJBMOI-HNNXBMFYSA-N 0 0 285.368 2.725 20 10 CFCDRN CN(C(=O)c1c[nH]cc1C1CC1)c1ccc(N)cc1 ZINC000884441973 646360125 /nfs/dbraw/zinc/36/01/25/646360125.db2.gz UFNCLQATWWGINH-UHFFFAOYSA-N 0 0 255.321 2.751 20 10 CFCDRN CCc1nccc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000884552084 646443856 /nfs/dbraw/zinc/44/38/56/646443856.db2.gz QLVRCHWJGAYJQC-CYBMUJFWSA-N 0 0 298.390 2.738 20 10 CFCDRN CC(=O)C(=O)COC(=O)Cc1csc2cc(C)sc12 ZINC000885157471 646626253 /nfs/dbraw/zinc/62/62/53/646626253.db2.gz MRDXHWHXVUIEHP-UHFFFAOYSA-N 0 0 296.369 2.515 20 10 CFCDRN CN(C)c1ccc(C=CCNc2n[nH]c3c2COCC3)cc1 ZINC000886204859 646920226 /nfs/dbraw/zinc/92/02/26/646920226.db2.gz SJSFGLBYFBGQIG-ONEGZZNKSA-N 0 0 298.390 2.674 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1c([O-])cccc1F ZINC000886511386 647024300 /nfs/dbraw/zinc/02/43/00/647024300.db2.gz RUIGHSFYJAHQBR-TYFHEEPYSA-N 0 0 287.334 2.840 20 10 CFCDRN C[C@@H]([NH2+]CCOCC(F)(F)F)c1c([O-])cccc1F ZINC000886514306 647024947 /nfs/dbraw/zinc/02/49/47/647024947.db2.gz MPNNBTYRNNYJGL-MRVPVSSYSA-N 0 0 281.249 2.761 20 10 CFCDRN C[C@H]([NH2+]CCc1nccs1)c1c([O-])cccc1F ZINC000886519389 647027042 /nfs/dbraw/zinc/02/70/42/647027042.db2.gz UIJAOQVCPUYDHQ-VIFPVBQESA-N 0 0 266.341 2.881 20 10 CFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1c([O-])cccc1F ZINC000886526435 647030088 /nfs/dbraw/zinc/03/00/88/647030088.db2.gz MDKIGWDZEAFPST-QMTHXVAHSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1c([O-])cccc1F ZINC000886528202 647031262 /nfs/dbraw/zinc/03/12/62/647031262.db2.gz INBXJFQCGSGORO-GXTWGEPZSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1c([O-])cccc1F ZINC000886538380 647036839 /nfs/dbraw/zinc/03/68/39/647036839.db2.gz HDQYFPAAGOWLLL-SDDRHHMPSA-N 0 0 278.371 2.807 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccncc1)c1c([O-])cccc1F ZINC000886540979 647037301 /nfs/dbraw/zinc/03/73/01/647037301.db2.gz OAARYVNBEKVISA-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN CC[C@H](O)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886550334 647043993 /nfs/dbraw/zinc/04/39/93/647043993.db2.gz XOYIVWZUXALGIL-QWRGUYRKSA-N 0 0 255.333 2.733 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1c([O-])cccc1F ZINC000886556671 647046487 /nfs/dbraw/zinc/04/64/87/647046487.db2.gz HQQSHYJAUZUQLJ-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN COCC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886613707 647068474 /nfs/dbraw/zinc/06/84/74/647068474.db2.gz CCQWKIRPUCWRRN-JTQLQIEISA-N 0 0 255.333 2.855 20 10 CFCDRN C[C@H](N[C@@H]1CCn2ccnc21)c1c(O)cccc1F ZINC000886615412 647068868 /nfs/dbraw/zinc/06/88/68/647068868.db2.gz FUIDKPFOKCPHHL-GXSJLCMTSA-N 0 0 261.300 2.523 20 10 CFCDRN Cc1nccnc1CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886616143 647070064 /nfs/dbraw/zinc/07/00/64/647070064.db2.gz WBNNTOCQKBLUSB-LLVKDONJSA-N 0 0 275.327 2.523 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1c([O-])cccc1F ZINC000886617800 647070759 /nfs/dbraw/zinc/07/07/59/647070759.db2.gz YXPZQMQKAIRHDN-WDEREUQCSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886622391 647073503 /nfs/dbraw/zinc/07/35/03/647073503.db2.gz RSWSYPADNPXIAT-VXGBXAGGSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1c(O)cccc1F ZINC000886625078 647074117 /nfs/dbraw/zinc/07/41/17/647074117.db2.gz IETOLCHOIOEBRS-VHSXEESVSA-N 0 0 263.316 2.677 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H](O)C(C)C ZINC000886626880 647075286 /nfs/dbraw/zinc/07/52/86/647075286.db2.gz NJGVMUXRXFIILD-IFUGULHKSA-N 0 0 269.360 2.977 20 10 CFCDRN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886636011 647079223 /nfs/dbraw/zinc/07/92/23/647079223.db2.gz DRECXDVMLRFAQJ-KWQFWETISA-N 0 0 275.270 2.606 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1c([O-])cccc1F ZINC000886636350 647080511 /nfs/dbraw/zinc/08/05/11/647080511.db2.gz MCKCGIIHUKHASI-JBXDMFIJSA-N 0 0 299.411 2.872 20 10 CFCDRN C[C@H]([NH2+]CC1CCC(O)CC1)c1c([O-])cccc1F ZINC000886638310 647081313 /nfs/dbraw/zinc/08/13/13/647081313.db2.gz QXTNEIWPZCQTCV-UNXYVOJBSA-N 0 0 267.344 2.733 20 10 CFCDRN CCCN1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886637581 647081761 /nfs/dbraw/zinc/08/17/61/647081761.db2.gz AJIBLFCKGKZUHI-NEPJUHHUSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1c([O-])cccc1F ZINC000886638633 647082610 /nfs/dbraw/zinc/08/26/10/647082610.db2.gz YVBRAHHAJWDGQY-QWRGUYRKSA-N 0 0 265.328 2.894 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1c([O-])cccc1F ZINC000886641884 647084200 /nfs/dbraw/zinc/08/42/00/647084200.db2.gz UVJKMMJYFQIYNZ-NEPJUHHUSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c([O-])cccc1F ZINC000886644787 647085496 /nfs/dbraw/zinc/08/54/96/647085496.db2.gz KRCSMVHSLKBVTK-KLBPJQLPSA-N 0 0 253.317 2.748 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccns1)c1c([O-])cccc1F ZINC000886649743 647088345 /nfs/dbraw/zinc/08/83/45/647088345.db2.gz HOMOJIWGSZRQSA-SECBINFHSA-N 0 0 266.341 2.881 20 10 CFCDRN Cc1ccc([C@H](C)N[C@@H](CCO)C(F)(F)F)c(O)c1 ZINC000886802178 647144794 /nfs/dbraw/zinc/14/47/94/647144794.db2.gz ZZFGLBHOZZPVMC-CABZTGNLSA-N 0 0 277.286 2.665 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890469113 647807291 /nfs/dbraw/zinc/80/72/91/647807291.db2.gz OBBPFDVSVHSLBB-REBRKWNGSA-N 0 0 288.391 2.826 20 10 CFCDRN Cc1ccccc1[C@@H](CO)N(C)C(=O)C1=CC(=O)CS1 ZINC000923717087 647897534 /nfs/dbraw/zinc/89/75/34/647897534.db2.gz JJVXMWWQFDOXCA-CYBMUJFWSA-N 0 0 291.372 2.568 20 10 CFCDRN COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)on1 ZINC000924861168 648061465 /nfs/dbraw/zinc/06/14/65/648061465.db2.gz JBYZCHLUIFABSA-JTQLQIEISA-N 0 0 293.342 2.739 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000926142859 648415837 /nfs/dbraw/zinc/41/58/37/648415837.db2.gz MFEGHOCJPDSVDM-SWLSCSKDSA-N 0 0 289.379 2.596 20 10 CFCDRN CC(C)(C)OC[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000928240986 648885950 /nfs/dbraw/zinc/88/59/50/648885950.db2.gz REBBDHONPQETKW-NSHDSACASA-N 0 0 293.363 2.518 20 10 CFCDRN O=C(N[C@@H](c1ccccn1)C1CC1)C1=CC(=O)CS1 ZINC000928613108 648933697 /nfs/dbraw/zinc/93/36/97/648933697.db2.gz SSSUEISOFRHQJI-CYBMUJFWSA-N 0 0 274.345 2.730 20 10 CFCDRN C[C@H]1CC=C(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928704980 648944222 /nfs/dbraw/zinc/94/42/22/648944222.db2.gz BSMDJWYFWZLPGM-JTQLQIEISA-N 0 0 263.312 2.894 20 10 CFCDRN C[C@@H]1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928705199 648944295 /nfs/dbraw/zinc/94/42/95/648944295.db2.gz HFCLIAAQGYQBTH-MNOVXSKESA-N 0 0 265.328 2.974 20 10 CFCDRN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1c(O)cccc1F ZINC000928705595 648944825 /nfs/dbraw/zinc/94/48/25/648944825.db2.gz KDPMTWDSCUPYRZ-VWYCJHECSA-N 0 0 263.312 2.584 20 10 CFCDRN CC[C@@H](CC(F)F)C(=O)NCc1c(O)cccc1F ZINC000928705508 648945002 /nfs/dbraw/zinc/94/50/02/648945002.db2.gz IZTHNPKMSIEXLH-QMMMGPOBSA-N 0 0 275.270 2.829 20 10 CFCDRN CC(C)c1nocc1C(=O)NCc1c(O)cccc1F ZINC000928707677 648945252 /nfs/dbraw/zinc/94/52/52/648945252.db2.gz ALEBYCHMDXBPEB-UHFFFAOYSA-N 0 0 278.283 2.573 20 10 CFCDRN C[C@@H](Cc1ccco1)C(=O)NCc1c(O)cccc1F ZINC000928708274 648945265 /nfs/dbraw/zinc/94/52/65/648945265.db2.gz BSZJJALUQBXLCE-JTQLQIEISA-N 0 0 277.295 2.619 20 10 CFCDRN Cc1noc(C2CC2)c1C(=O)NCc1c(O)cccc1F ZINC000928707167 648945565 /nfs/dbraw/zinc/94/55/65/648945565.db2.gz BLVFTSPHQHVWSJ-UHFFFAOYSA-N 0 0 290.294 2.635 20 10 CFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)n1cccc1 ZINC000928712248 648946497 /nfs/dbraw/zinc/94/64/97/648946497.db2.gz PGECANWGLZLWNR-NSHDSACASA-N 0 0 276.311 2.600 20 10 CFCDRN CCN(CCOC1CC1)c1ccc(OC)c(OC)c1 ZINC000929896165 649145895 /nfs/dbraw/zinc/14/58/95/649145895.db2.gz AQTPBNWEFXXEHL-UHFFFAOYSA-N 0 0 265.353 2.709 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2CCC3(COC3)O2)cc1 ZINC000929913656 649149077 /nfs/dbraw/zinc/14/90/77/649149077.db2.gz PINWMYFKYLCMLH-INIZCTEOSA-N 0 0 291.391 2.860 20 10 CFCDRN COC(=O)c1cncc(CN(C)c2ccc(OC)cc2)c1 ZINC000930841616 649334093 /nfs/dbraw/zinc/33/40/93/649334093.db2.gz MQGBXSYONSWIMW-UHFFFAOYSA-N 0 0 286.331 2.513 20 10 CFCDRN Cc1cc(CN2CC[C@@H]2C(F)F)ccc1N(C)C ZINC000931428533 649424558 /nfs/dbraw/zinc/42/45/58/649424558.db2.gz PQYSTZMYUZLAIA-CYBMUJFWSA-N 0 0 254.324 2.900 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N2CCCCc3ccccc32)c1 ZINC000931905699 649507197 /nfs/dbraw/zinc/50/71/97/649507197.db2.gz OFTWIVWUMSMTAE-KTKRTIGZSA-N 0 0 281.359 2.803 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnnc1C ZINC000270003367 651184990 /nfs/dbraw/zinc/18/49/90/651184990.db2.gz ZJAVXEANWAXGGT-UHFFFAOYSA-N 0 0 298.390 2.513 20 10 CFCDRN COC(=O)c1cc2ccc(-c3ccc(CO)nc3)cc2n1C ZINC001243467840 782216486 /nfs/dbraw/zinc/21/64/86/782216486.db2.gz BGWPWSCWSJTHCU-UHFFFAOYSA-N 0 0 296.326 2.519 20 10 CFCDRN C[C@@]1(F)CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142508804 778394888 /nfs/dbraw/zinc/39/48/88/778394888.db2.gz MAMWCAFAPZTUAG-CYBMUJFWSA-N 0 0 259.271 2.994 20 10 CFCDRN CCC1([NH3+])CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001236185897 778729845 /nfs/dbraw/zinc/72/98/45/778729845.db2.gz ZLYPOEKJOZWLCS-UHFFFAOYSA-N 0 0 275.179 2.622 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CO1 ZINC000402095660 769843645 /nfs/dbraw/zinc/84/36/45/769843645.db2.gz WRDSFHGICAXCPJ-OIBJUYFYSA-N 0 0 276.163 2.966 20 10 CFCDRN Cc1ccc(F)cc1/C=C1/SC(=S)N(C)C1=O ZINC000588393847 770503016 /nfs/dbraw/zinc/50/30/16/770503016.db2.gz JOMZHTASCVIEFA-UXBLZVDNSA-N 0 0 267.350 2.965 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1Cc2ccccc21 ZINC000588403924 770532372 /nfs/dbraw/zinc/53/23/72/770532372.db2.gz IPRGYOKQFODFAK-IQCBXXCUSA-N 0 0 295.338 2.567 20 10 CFCDRN Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1O ZINC000588407620 770546636 /nfs/dbraw/zinc/54/66/36/770546636.db2.gz NYORFVKDAVLJTH-VURMDHGXSA-N 0 0 285.299 2.764 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485161 770721783 /nfs/dbraw/zinc/72/17/83/770721783.db2.gz RSISGEGPUXGISE-NXEZZACHSA-N 0 0 283.755 2.588 20 10 CFCDRN C/C(=C\C(=O)N(C)c1ccc(C)cc1)c1cnccn1 ZINC001125629467 773194939 /nfs/dbraw/zinc/19/49/39/773194939.db2.gz WEGBFWSBQGIHIM-JLHYYAGUSA-N 0 0 267.332 2.851 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H](F)C2)c1O ZINC000689862422 775194925 /nfs/dbraw/zinc/19/49/25/775194925.db2.gz GOCACFRYPAXPRR-NSHDSACASA-N 0 0 269.291 2.668 20 10 CFCDRN CC(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000694434562 775484294 /nfs/dbraw/zinc/48/42/94/775484294.db2.gz OQXLHNJEWWZNFR-LLVKDONJSA-N 0 0 263.337 2.606 20 10 CFCDRN C/C(=C/C(=O)N(C)c1ccc(Cl)cn1)c1cnccn1 ZINC001125846392 775639682 /nfs/dbraw/zinc/63/96/82/775639682.db2.gz HOGYHRMPVDRHEI-YFHOEESVSA-N 0 0 288.738 2.591 20 10 CFCDRN Cc1ccccc1[C@@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464199 775832869 /nfs/dbraw/zinc/83/28/69/775832869.db2.gz DZPRQUZGGTXCTD-MRVPVSSYSA-N 0 0 292.287 2.663 20 10 CFCDRN CC[C@H](C[C@@H](C)CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465968 775834838 /nfs/dbraw/zinc/83/48/38/775834838.db2.gz XUJIHWVVUZJJIX-JGVFFNPUSA-N 0 0 286.324 2.808 20 10 CFCDRN CC[C@@H](C)CC[C@@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226469473 775835876 /nfs/dbraw/zinc/83/58/76/775835876.db2.gz UORWASIESMFSJW-HTQZYQBOSA-N 0 0 286.324 2.808 20 10 CFCDRN COCCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000397886769 776066254 /nfs/dbraw/zinc/06/62/54/776066254.db2.gz PLQYBVLHFXCRNR-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN FC1(F)CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000397961034 776074615 /nfs/dbraw/zinc/07/46/15/776074615.db2.gz PEFQKANVBNRALS-CYBMUJFWSA-N 0 0 253.292 2.899 20 10 CFCDRN CN(C)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1 ZINC001227939582 776335334 /nfs/dbraw/zinc/33/53/34/776335334.db2.gz BMNHUVAQZXHJJO-OAHLLOKOSA-N 0 0 285.343 2.971 20 10 CFCDRN Cc1nn(C)cc1[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227941563 776336027 /nfs/dbraw/zinc/33/60/27/776336027.db2.gz WGTCQWPCAFAXJC-GFCCVEGCSA-N 0 0 259.353 2.935 20 10 CFCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC=N)N=[N+]=[N-] ZINC001167865711 776682656 /nfs/dbraw/zinc/68/26/56/776682656.db2.gz YUMIYLXKMMPPRP-WDZFZDKYSA-N 0 0 288.311 2.932 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1C ZINC000028331509 776927753 /nfs/dbraw/zinc/92/77/53/776927753.db2.gz MNXLGDOOJIPZRK-UHFFFAOYSA-N 0 0 297.402 2.864 20 10 CFCDRN O=C1c2ccccc2C(=O)c2cc(OC[C@H]3CCO3)ccc21 ZINC001231265607 777181535 /nfs/dbraw/zinc/18/15/35/777181535.db2.gz HEZJNCVFZFQSLS-GFCCVEGCSA-N 0 0 294.306 2.630 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC1(F)F ZINC001231447306 777221164 /nfs/dbraw/zinc/22/11/64/777221164.db2.gz RNUUSXNFDFNDQM-SECBINFHSA-N 0 0 285.290 2.568 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC001231447176 777221906 /nfs/dbraw/zinc/22/19/06/777221906.db2.gz OTLMIUVHUSRPOE-STQMWFEESA-N 0 0 275.348 2.712 20 10 CFCDRN O=C([O-])c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001231447174 777221921 /nfs/dbraw/zinc/22/19/21/777221921.db2.gz OTLMIUVHUSRPOE-CHWSQXEVSA-N 0 0 275.348 2.712 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001231448771 777222180 /nfs/dbraw/zinc/22/21/80/777222180.db2.gz BBQGDYHHYJMATP-DGCLKSJQSA-N 0 0 275.348 2.712 20 10 CFCDRN COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231452166 777222883 /nfs/dbraw/zinc/22/28/83/777222883.db2.gz FTAHOEPCKJKCLL-UHFFFAOYSA-N 0 0 299.326 2.615 20 10 CFCDRN CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231454561 777223075 /nfs/dbraw/zinc/22/30/75/777223075.db2.gz GXGJYPXYOGPTLM-LLVKDONJSA-N 0 0 263.337 2.712 20 10 CFCDRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231453945 777223217 /nfs/dbraw/zinc/22/32/17/777223217.db2.gz MGNXMKQALDLKLQ-PHIMTYICSA-N 0 0 263.337 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CC3CCC(CC3)C2)c1 ZINC001231566326 777262176 /nfs/dbraw/zinc/26/21/76/777262176.db2.gz XTFSCYXKTYCKIC-UHFFFAOYSA-N 0 0 275.348 2.712 20 10 CFCDRN Cc1cc2c(cn1)CN(Cc1cccc(C)c1O)C2 ZINC001231592131 777270821 /nfs/dbraw/zinc/27/08/21/777270821.db2.gz CTBZFQLGXMOQOT-UHFFFAOYSA-N 0 0 254.333 2.920 20 10 CFCDRN CCCCN(CC(=O)OCC)Cc1cccc(C)c1O ZINC001231595362 777272644 /nfs/dbraw/zinc/27/26/44/777272644.db2.gz YDRUMQCHTNBDST-UHFFFAOYSA-N 0 0 279.380 2.866 20 10 CFCDRN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231847608 777348586 /nfs/dbraw/zinc/34/85/86/777348586.db2.gz BRRWKSRGVVPQIO-WWGRRREGSA-N 0 0 289.375 2.535 20 10 CFCDRN COc1cc(N(C)C)ccc1CN(C)CC(F)(F)F ZINC001231849731 777351015 /nfs/dbraw/zinc/35/10/15/777351015.db2.gz XNMHLZFXKQAQCO-UHFFFAOYSA-N 0 0 276.302 2.755 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)[C@@H](C)C2)cc1Cl ZINC001231866269 777356092 /nfs/dbraw/zinc/35/60/92/777356092.db2.gz BTAFUBQKVZRGLF-JTQLQIEISA-N 0 0 267.756 2.765 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)[C@H](F)CC2)cc1Cl ZINC001231868900 777356749 /nfs/dbraw/zinc/35/67/49/777356749.db2.gz ZMGXAMSEVZBLNZ-GFCCVEGCSA-N 0 0 285.746 2.857 20 10 CFCDRN Cc1cc(O)c(CN2CCc3cnn(C)c3C2)cc1Cl ZINC001231870269 777358858 /nfs/dbraw/zinc/35/88/58/777358858.db2.gz QXBAXGQQHAYKCG-UHFFFAOYSA-N 0 0 291.782 2.646 20 10 CFCDRN Cc1cc(O)c(CN2CCn3nccc3C2)cc1Cl ZINC001231871938 777361666 /nfs/dbraw/zinc/36/16/66/777361666.db2.gz RRWPURYVNWBFRV-UHFFFAOYSA-N 0 0 277.755 2.566 20 10 CFCDRN Oc1c(C[N@H+]2CCCC[C@H](O)C2)ccc2ccccc21 ZINC001231879750 777363661 /nfs/dbraw/zinc/36/36/61/777363661.db2.gz QNGQZXLFEZMNFN-HNNXBMFYSA-N 0 0 271.360 2.892 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cccnc2C1 ZINC001231912832 777379719 /nfs/dbraw/zinc/37/97/19/777379719.db2.gz AFNOJENBNXSQKQ-UHFFFAOYSA-N 0 0 274.751 2.999 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001231910774 777380208 /nfs/dbraw/zinc/38/02/08/777380208.db2.gz SQBLYBKPPVAARQ-AWEZNQCLSA-N 0 0 267.756 2.801 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001231914399 777382163 /nfs/dbraw/zinc/38/21/63/777382163.db2.gz LARKMZCWWJHRPK-GFCCVEGCSA-N 0 0 297.782 2.773 20 10 CFCDRN Cc1ncc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])cn1 ZINC001231914881 777383761 /nfs/dbraw/zinc/38/37/61/777383761.db2.gz UICKYLBBBUGRQG-UHFFFAOYSA-N 0 0 277.755 2.776 20 10 CFCDRN Oc1cccc2c1CN(Cc1ncccc1Cl)CC2 ZINC001231961013 777390527 /nfs/dbraw/zinc/39/05/27/777390527.db2.gz WKLZDNZAJYTWRX-UHFFFAOYSA-N 0 0 274.751 2.999 20 10 CFCDRN Cc1scnc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001232213266 777476650 /nfs/dbraw/zinc/47/66/50/777476650.db2.gz ZZYKXIJDVZMHIZ-UHFFFAOYSA-N 0 0 290.388 2.811 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CCC[C@]1(C)O ZINC001232258581 777496494 /nfs/dbraw/zinc/49/64/94/777496494.db2.gz AUHRROFPCGAYCI-BMIGLBTASA-N 0 0 299.798 2.734 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC001232266745 777499532 /nfs/dbraw/zinc/49/95/32/777499532.db2.gz XTXZFVXEUCXALH-AOOOYVTPSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC001232266572 777499900 /nfs/dbraw/zinc/49/99/00/777499900.db2.gz PGPRAQTWKRPIHC-JTQLQIEISA-N 0 0 285.771 2.665 20 10 CFCDRN CN(Cc1cc(O)c(O)c(O)c1)Cc1ccccc1F ZINC001233012581 777763539 /nfs/dbraw/zinc/76/35/39/777763539.db2.gz KZJPBFXBRHELIB-UHFFFAOYSA-N 0 0 277.295 2.575 20 10 CFCDRN CCc1ccc(C[N@H+](C)Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233016807 777765449 /nfs/dbraw/zinc/76/54/49/777765449.db2.gz OXZCLOJDBYGOTO-UHFFFAOYSA-N 0 0 287.359 2.998 20 10 CFCDRN Oc1cc(CN2CC3(C2)CCCCC3)cc(O)c1O ZINC001233015769 777766545 /nfs/dbraw/zinc/76/65/45/777766545.db2.gz AKXARRIQKKBRAH-UHFFFAOYSA-N 0 0 263.337 2.570 20 10 CFCDRN Oc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc(O)c1O ZINC001233017131 777766561 /nfs/dbraw/zinc/76/65/61/777766561.db2.gz SGHTYJUBBSUTFM-UHFFFAOYSA-N 0 0 295.354 2.908 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc(F)c1F ZINC001233074367 777788368 /nfs/dbraw/zinc/78/83/68/777788368.db2.gz OKOXZWLFZJDPEV-MFKMUULPSA-N 0 0 283.318 2.671 20 10 CFCDRN [O-]c1c(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc(F)c1F ZINC001233078407 777788663 /nfs/dbraw/zinc/78/86/63/777788663.db2.gz VBCSKTXNDXFMDD-VIFPVBQESA-N 0 0 289.322 2.700 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[N@H+](CCO)Cc1cccs1 ZINC001233077127 777788857 /nfs/dbraw/zinc/78/88/57/777788857.db2.gz FJFOANNMKKPOCO-UHFFFAOYSA-N 0 0 299.342 2.726 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CCn3ccnc3C2)c1 ZINC001233284100 777865008 /nfs/dbraw/zinc/86/50/08/777865008.db2.gz IIMRZVHXEWUVOR-UHFFFAOYSA-N 0 0 285.391 2.902 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)C[C@H]2CO)c1 ZINC001233284136 777865772 /nfs/dbraw/zinc/86/57/72/777865772.db2.gz JWEPGVIMSGZYQS-ZDUSSCGKSA-N 0 0 299.361 2.892 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CC[C@@H](O)C(F)(F)C2)c1 ZINC001233286038 777867289 /nfs/dbraw/zinc/86/72/89/777867289.db2.gz BUGQUWFTUPQSHK-CQSZACIVSA-N 0 0 299.361 2.892 20 10 CFCDRN CC1(C)C[N@H+](Cc2c([O-])ccc(F)c2F)CCCO1 ZINC001233334803 777895139 /nfs/dbraw/zinc/89/51/39/777895139.db2.gz UKKUFXSTJMVQOA-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN Oc1c(CN2CC(F)(F)C2)cccc1C(F)(F)F ZINC001233416061 777942412 /nfs/dbraw/zinc/94/24/12/777942412.db2.gz VCHJRLBTSQQSFE-UHFFFAOYSA-N 0 0 267.197 2.862 20 10 CFCDRN C[C@@H]1CC(=O)CCN1Cc1cccc(C(F)(F)F)c1O ZINC001233416050 777943173 /nfs/dbraw/zinc/94/31/73/777943173.db2.gz UMLZWYHZWBFNCT-SECBINFHSA-N 0 0 287.281 2.964 20 10 CFCDRN CC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C1COC1 ZINC001233418498 777943200 /nfs/dbraw/zinc/94/32/00/777943200.db2.gz JOSCCXKPNQYDDX-UHFFFAOYSA-N 0 0 275.270 2.632 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416301 777944459 /nfs/dbraw/zinc/94/44/59/777944459.db2.gz CTGGDSWIZNWYOY-JTQLQIEISA-N 0 0 275.270 2.632 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCO[C@H](CF)C2)c1O ZINC000840955674 777958999 /nfs/dbraw/zinc/95/89/99/777958999.db2.gz XVACZDQNPLCRBB-GFCCVEGCSA-N 0 0 273.735 2.524 20 10 CFCDRN Oc1cc(O)c(CN2CCCC[C@@H]2C(F)(F)F)cc1O ZINC001233484901 777964249 /nfs/dbraw/zinc/96/42/49/777964249.db2.gz BPFNVWTZTLGERP-GFCCVEGCSA-N 0 0 291.269 2.720 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)COCC ZINC001233496763 777969042 /nfs/dbraw/zinc/96/90/42/777969042.db2.gz IBOYCXNNVQKZDM-SNVBAGLBSA-N 0 0 282.336 2.884 20 10 CFCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CC2(COC2)C1 ZINC001233497040 777969249 /nfs/dbraw/zinc/96/92/49/777969249.db2.gz LTFIPBXMWNDCJB-UHFFFAOYSA-N 0 0 292.331 2.638 20 10 CFCDRN CCN1CCc2cc(O[C@H](C)c3cncnc3)ccc21 ZINC001233600831 778006587 /nfs/dbraw/zinc/00/65/87/778006587.db2.gz CJXZEKKHAASDSK-GFCCVEGCSA-N 0 0 269.348 2.999 20 10 CFCDRN CCN1CCc2cc(O[C@H]3CC[C@@H](C(=O)OC)C3)ccc21 ZINC001233602442 778007815 /nfs/dbraw/zinc/00/78/15/778007815.db2.gz VAESJXXZPITOJL-KGLIPLIRSA-N 0 0 289.375 2.790 20 10 CFCDRN CCN1CCc2cc(O[C@@H]3C=C(C)OC(=O)C3)ccc21 ZINC001233607621 778009529 /nfs/dbraw/zinc/00/95/29/778009529.db2.gz NJEPCSTVTJLKHG-CQSZACIVSA-N 0 0 273.332 2.667 20 10 CFCDRN O=c1cc2[nH]cnc(O[C@@H]3CCc4cccnc43)c-2cc1O ZINC001233949590 778120050 /nfs/dbraw/zinc/12/00/50/778120050.db2.gz LEGGKNUWHPIXQL-CQSZACIVSA-N 0 0 295.298 2.502 20 10 CFCDRN C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)c1nccs1 ZINC001233948046 778120769 /nfs/dbraw/zinc/12/07/69/778120769.db2.gz CMDYBPMDTXYPQF-SSDOTTSWSA-N 0 0 289.316 2.638 20 10 CFCDRN COc1ccc2ccc(O)c(CN3CC4(CCO4)C3)c2c1 ZINC001234562389 778252833 /nfs/dbraw/zinc/25/28/33/778252833.db2.gz MSVMXEDGGGVCIM-UHFFFAOYSA-N 0 0 285.343 2.529 20 10 CFCDRN CCO[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520107 778399142 /nfs/dbraw/zinc/39/91/42/778399142.db2.gz BKLYCKMBEUCRCZ-LLVKDONJSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001142527253 778401738 /nfs/dbraw/zinc/40/17/38/778401738.db2.gz QBFOCPFYGPBWSG-OAHLLOKOSA-N 0 0 283.318 2.673 20 10 CFCDRN CCOC1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235676813 778533861 /nfs/dbraw/zinc/53/38/61/778533861.db2.gz VWVNQEZQELKCCW-UHFFFAOYSA-N 0 0 263.381 2.910 20 10 CFCDRN CC[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000160228863 778596245 /nfs/dbraw/zinc/59/62/45/778596245.db2.gz CZMLORMFNOSCPV-LBPRGKRZSA-N 0 0 282.815 2.962 20 10 CFCDRN Cn1ccc2c1cccc2-c1cnc2nonc2c1 ZINC001236029144 778658567 /nfs/dbraw/zinc/65/85/67/778658567.db2.gz ZUEVORZKRHPERP-UHFFFAOYSA-N 0 0 250.261 2.777 20 10 CFCDRN CC(C)Oc1ncccc1-c1ncnc2c1ccn2C ZINC001236096136 778690898 /nfs/dbraw/zinc/69/08/98/778690898.db2.gz FEWCDBGJSQFNMT-UHFFFAOYSA-N 0 0 268.320 2.818 20 10 CFCDRN Cc1ccc(O)c(CN2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000698219640 778765457 /nfs/dbraw/zinc/76/54/57/778765457.db2.gz WCGGBJSSIJWTHH-LBPRGKRZSA-N 0 0 289.297 2.854 20 10 CFCDRN COc1cncc(-c2ccnc3c2ccn3C)c1C ZINC001236386256 778797343 /nfs/dbraw/zinc/79/73/43/778797343.db2.gz AIZZFUSVLWHDGF-UHFFFAOYSA-N 0 0 253.305 2.952 20 10 CFCDRN Oc1ccc(F)cc1CN1CCOc2ccccc2C1 ZINC000226562673 778839532 /nfs/dbraw/zinc/83/95/32/778839532.db2.gz BXTRSGNVOSZXPD-UHFFFAOYSA-N 0 0 273.307 2.926 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]12 ZINC001231914128 778879064 /nfs/dbraw/zinc/87/90/64/778879064.db2.gz XXXVBLOFWNPHIQ-ZYHUDNBSSA-N 0 0 279.767 2.847 20 10 CFCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC001127183218 778883862 /nfs/dbraw/zinc/88/38/62/778883862.db2.gz BOBNXGZNPWXITQ-XYOKQWHBSA-N 0 0 296.326 2.877 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001236793651 778938447 /nfs/dbraw/zinc/93/84/47/778938447.db2.gz MSVVKLPCZWWQSD-WDEREUQCSA-N 0 0 294.153 2.604 20 10 CFCDRN Oc1cc(Cl)c(Cl)cc1CN1CCn2cncc2C1 ZINC001236799225 778942632 /nfs/dbraw/zinc/94/26/32/778942632.db2.gz MLRWAOVWJXNHBY-UHFFFAOYSA-N 0 0 298.173 2.911 20 10 CFCDRN O=C1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1F ZINC001236799613 778942843 /nfs/dbraw/zinc/94/28/43/778942843.db2.gz QCSRXECZBFXQHU-JTQLQIEISA-N 0 0 292.137 2.812 20 10 CFCDRN COc1cc(O)c(CN2CC(OC(C)C)C2)c(Cl)c1 ZINC001236806884 778947009 /nfs/dbraw/zinc/94/70/09/778947009.db2.gz CCAHDPJXFPXJNG-UHFFFAOYSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001236807227 778947279 /nfs/dbraw/zinc/94/72/79/778947279.db2.gz DTXYVWHVQBGTSC-GUYCJALGSA-N 0 0 293.407 2.692 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001236810837 778948726 /nfs/dbraw/zinc/94/87/26/778948726.db2.gz KDBFMQODUPUAJT-AWEZNQCLSA-N 0 0 283.318 2.940 20 10 CFCDRN CC(C)c1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001237049774 779001002 /nfs/dbraw/zinc/00/10/02/779001002.db2.gz SZUCVEHNHAEOLR-UHFFFAOYSA-N 0 0 285.391 2.770 20 10 CFCDRN CC(C)c1ccc(CN(CCO)CC(F)(F)F)c(O)c1 ZINC001237054552 779002432 /nfs/dbraw/zinc/00/24/32/779002432.db2.gz CKSPYBJYPDCJEF-UHFFFAOYSA-N 0 0 291.313 2.872 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC001237077231 779006814 /nfs/dbraw/zinc/00/68/14/779006814.db2.gz DIRKIKPYMMGBLO-QMMMGPOBSA-N 0 0 276.163 2.656 20 10 CFCDRN C[C@@H]1CCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237119350 779017065 /nfs/dbraw/zinc/01/70/65/779017065.db2.gz FQVBGYGELRMTPA-MRVPVSSYSA-N 0 0 261.243 2.885 20 10 CFCDRN CC1CN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237119358 779017093 /nfs/dbraw/zinc/01/70/93/779017093.db2.gz FVDXNXGIRQMPGT-UHFFFAOYSA-N 0 0 261.243 2.743 20 10 CFCDRN Cc1nc(CC[N@@H+](C)Cc2c(O)ccc(F)c2Cl)no1 ZINC001237121263 779017612 /nfs/dbraw/zinc/01/76/12/779017612.db2.gz AJUWEMMOWFAELN-UHFFFAOYSA-N 0 0 299.733 2.551 20 10 CFCDRN O=C1CCN(Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001237121371 779017834 /nfs/dbraw/zinc/01/78/34/779017834.db2.gz LJOBJTBVAUDZAL-SECBINFHSA-N 0 0 289.709 2.688 20 10 CFCDRN Oc1cccc(OC(F)(F)F)c1CN1CC(F)(F)C1 ZINC001237120612 779018259 /nfs/dbraw/zinc/01/82/59/779018259.db2.gz QTMYYDFQECTLNX-UHFFFAOYSA-N 0 0 283.196 2.742 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CCc2ncncc2C1 ZINC001237125877 779019003 /nfs/dbraw/zinc/01/90/03/779019003.db2.gz HAFSIVVSDFAVHT-UHFFFAOYSA-N 0 0 293.729 2.533 20 10 CFCDRN CN(Cc1ncccn1)Cc1c(O)ccc(F)c1Cl ZINC001237122086 779020350 /nfs/dbraw/zinc/02/03/50/779020350.db2.gz RRVQEBLKCDLQHU-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN O=C1CCN(Cc2cc(C(F)(F)F)ccc2O)C[C@H]1F ZINC001237140995 779025655 /nfs/dbraw/zinc/02/56/55/779025655.db2.gz QJXKGXCAMAKSJS-SNVBAGLBSA-N 0 0 291.244 2.524 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233415959 779041256 /nfs/dbraw/zinc/04/12/56/779041256.db2.gz PZBXNXVNFZBHFF-SKDRFNHKSA-N 0 0 289.297 2.614 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CCc2cnccc2C1 ZINC001237484029 779117777 /nfs/dbraw/zinc/11/77/77/779117777.db2.gz ZNMVDYDYDRDFNW-UHFFFAOYSA-N 0 0 254.333 2.654 20 10 CFCDRN Cc1nc2c(s1)CN(Cc1c(C)cccc1O)C2 ZINC001237490742 779119432 /nfs/dbraw/zinc/11/94/32/779119432.db2.gz ARAKRCLJUUTXFO-UHFFFAOYSA-N 0 0 260.362 2.981 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001237624647 779147529 /nfs/dbraw/zinc/14/75/29/779147529.db2.gz XMKZOJNPKAWQGU-UHFFFAOYSA-N 0 0 298.789 2.855 20 10 CFCDRN Cc1cc(O)c(CN2CC=CC2)cc1Br ZINC001237676505 779159664 /nfs/dbraw/zinc/15/96/64/779159664.db2.gz JOQANIPRTXRSFE-UHFFFAOYSA-N 0 0 268.154 2.835 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237801330 779181229 /nfs/dbraw/zinc/18/12/29/779181229.db2.gz QXTVGNVAPARCJA-VXGBXAGGSA-N 0 0 271.719 2.548 20 10 CFCDRN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]21 ZINC001237802668 779181423 /nfs/dbraw/zinc/18/14/23/779181423.db2.gz NUBGSJYVWSLSRQ-QMTHXVAHSA-N 0 0 298.789 2.711 20 10 CFCDRN CCOC(=O)CC[N@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800116 779181659 /nfs/dbraw/zinc/18/16/59/779181659.db2.gz XHLXHCSWOSMWFY-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@H]1CO ZINC001237808967 779184484 /nfs/dbraw/zinc/18/44/84/779184484.db2.gz XGJKGBCCBFSBQI-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1ccoc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001237877422 779198695 /nfs/dbraw/zinc/19/86/95/779198695.db2.gz VBNFGFXJJLNMCY-UHFFFAOYSA-N 0 0 274.364 2.986 20 10 CFCDRN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237939782 779210696 /nfs/dbraw/zinc/21/06/96/779210696.db2.gz FXBFODCIDKCPJD-GFCCVEGCSA-N 0 0 298.789 2.853 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCc2ncncc2C1 ZINC001237937633 779211582 /nfs/dbraw/zinc/21/15/82/779211582.db2.gz SEUDHYJQTIBJGD-UHFFFAOYSA-N 0 0 293.729 2.533 20 10 CFCDRN O=C1CCCN(Cc2cc(F)c(Cl)cc2O)C[C@H]1F ZINC001237935087 779212110 /nfs/dbraw/zinc/21/21/10/779212110.db2.gz QERFJGYARXFDFG-LLVKDONJSA-N 0 0 289.709 2.688 20 10 CFCDRN Oc1ccc(NCc2ccc(OC3COC3)cc2)cc1 ZINC001168468512 779228550 /nfs/dbraw/zinc/22/85/50/779228550.db2.gz XVBCADAFCJHEQL-UHFFFAOYSA-N 0 0 271.316 2.782 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cccnc1 ZINC001234474893 779233492 /nfs/dbraw/zinc/23/34/92/779233492.db2.gz YSARVBNMBXULHB-SNVBAGLBSA-N 0 0 273.288 2.835 20 10 CFCDRN Cc1cc(F)cc(C[N@H+]2CCOC[C@H]2C(C)C)c1O ZINC001238069609 779245876 /nfs/dbraw/zinc/24/58/76/779245876.db2.gz JKFXYLCAOFWYIC-AWEZNQCLSA-N 0 0 267.344 2.697 20 10 CFCDRN CCC1(C(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000176564144 779250850 /nfs/dbraw/zinc/25/08/50/779250850.db2.gz KCCBPGWZZSVWTJ-UHFFFAOYSA-N 0 0 260.381 2.949 20 10 CFCDRN O=c1cc(-c2cnn(C(F)F)c2)ccn1CC1CC1 ZINC001238869160 779408973 /nfs/dbraw/zinc/40/89/73/779408973.db2.gz OXTXJFUAZBKKLS-UHFFFAOYSA-N 0 0 265.263 2.517 20 10 CFCDRN CCOCc1cncc(-c2ncnc3c2ccn3C)c1 ZINC001238910228 779415290 /nfs/dbraw/zinc/41/52/90/779415290.db2.gz WQMXNKIUTWBJIO-UHFFFAOYSA-N 0 0 268.320 2.567 20 10 CFCDRN c1nocc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001239171788 779465872 /nfs/dbraw/zinc/46/58/72/779465872.db2.gz LWZWKQNTZXPBFY-UHFFFAOYSA-N 0 0 264.288 2.826 20 10 CFCDRN C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794508 779639355 /nfs/dbraw/zinc/63/93/55/779639355.db2.gz SGSSJQDGUKILHM-WPRPVWTQSA-N 0 0 290.190 2.902 20 10 CFCDRN C[C@@H]1CC(=O)CCN1Cc1c(O)ccc(F)c1Cl ZINC001237122428 779664752 /nfs/dbraw/zinc/66/47/52/779664752.db2.gz UYXCCOSPLNAVSD-MRVPVSSYSA-N 0 0 271.719 2.738 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)O ZINC001237617161 779700671 /nfs/dbraw/zinc/70/06/71/779700671.db2.gz LXQJBKCWEPLFSS-YMTOWFKASA-N 0 0 287.762 2.778 20 10 CFCDRN C[NH+](C)C[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237798198 779718009 /nfs/dbraw/zinc/71/80/09/779718009.db2.gz AATWYYYMADDANI-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN CNC(=O)c1ccc(-c2cccc3c2cc(C)n3C)cn1 ZINC001239864777 779830075 /nfs/dbraw/zinc/83/00/75/779830075.db2.gz GCAIUUMCOBLRJL-UHFFFAOYSA-N 0 0 279.343 2.908 20 10 CFCDRN CC(C)(O)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001142907511 779913794 /nfs/dbraw/zinc/91/37/94/779913794.db2.gz ZFCORVQHVIRQBG-UHFFFAOYSA-N 0 0 284.359 2.573 20 10 CFCDRN CCOc1cccc(-c2noc(-c3csnn3)n2)c1 ZINC001212362053 779994495 /nfs/dbraw/zinc/99/44/95/779994495.db2.gz LCGDQDNJFYQTTA-UHFFFAOYSA-N 0 0 274.305 2.654 20 10 CFCDRN Cc1ccc(-c2noc(-c3csnn3)n2)cc1C ZINC001212362434 779994773 /nfs/dbraw/zinc/99/47/73/779994773.db2.gz UCMJQWODYHMXHV-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN c1snnc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001212362410 779994802 /nfs/dbraw/zinc/99/48/02/779994802.db2.gz RUNQMGXETUHLNM-UHFFFAOYSA-N 0 0 281.300 2.803 20 10 CFCDRN Cc1c(F)cc(-c2noc(-c3csnn3)n2)cc1F ZINC001212362014 779994921 /nfs/dbraw/zinc/99/49/21/779994921.db2.gz KKWBSDUAHNFJTO-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN Cc1cc(-c2nc3ccccc3n2C)c(-c2cn[nH]c2)nn1 ZINC001240240467 780022308 /nfs/dbraw/zinc/02/23/08/780022308.db2.gz RVYBYIXSMZNEFT-UHFFFAOYSA-N 0 0 290.330 2.729 20 10 CFCDRN Cn1cc(-c2ncnc3c2ccn3Cc2ccccc2)cn1 ZINC001240294240 780052031 /nfs/dbraw/zinc/05/20/31/780052031.db2.gz RXSCROZXQQUNRL-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN Cc1nn(C)cc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001240304117 780060767 /nfs/dbraw/zinc/06/07/67/780060767.db2.gz ZDFBGJNSJAMMMQ-UHFFFAOYSA-N 0 0 297.333 2.745 20 10 CFCDRN COc1c(F)cccc1-c1noc(-c2nnsc2C)n1 ZINC001212405382 780094870 /nfs/dbraw/zinc/09/48/70/780094870.db2.gz QYYPPHRQIBYVSR-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN COc1ccccc1-c1noc(-c2nnsc2C)n1 ZINC001212405001 780095205 /nfs/dbraw/zinc/09/52/05/780095205.db2.gz DJGLRGWQOSJMJO-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN CCOc1ncccc1-c1ccn(CC(C)C)c(=O)c1 ZINC001240497968 780205747 /nfs/dbraw/zinc/20/57/47/780205747.db2.gz DATLICPACXQJGK-UHFFFAOYSA-N 0 0 272.348 2.965 20 10 CFCDRN CCCc1nc(CN(C)c2ccc(OC)c(OC)c2)no1 ZINC000140371646 780226420 /nfs/dbraw/zinc/22/64/20/780226420.db2.gz WYMWMLMVSFQBJI-UHFFFAOYSA-N 0 0 291.351 2.676 20 10 CFCDRN COc1ncc(-c2ccc3ccn(C)c3c2)c(OC)n1 ZINC001240574250 780265511 /nfs/dbraw/zinc/26/55/11/780265511.db2.gz BDAYDMCOJSVTPN-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN COc1ncnc(OC)c1-c1ccc2ccn(C)c2c1 ZINC001240574969 780265650 /nfs/dbraw/zinc/26/56/50/780265650.db2.gz MSJKHNOMVBPZRN-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN COC(=O)Cc1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240575128 780266476 /nfs/dbraw/zinc/26/64/76/780266476.db2.gz UTYRXHBWYHZQFH-UHFFFAOYSA-N 0 0 280.327 2.956 20 10 CFCDRN Cc1cc(-c2ccc3ccn(C)c3c2)c(=O)n(C)c1 ZINC001240576302 780267649 /nfs/dbraw/zinc/26/76/49/780267649.db2.gz FYWFAXBNUNRTIF-UHFFFAOYSA-N 0 0 252.317 2.852 20 10 CFCDRN Nc1ccc(CNc2ncnc3c2CCCC3)cc1 ZINC000094872644 780309715 /nfs/dbraw/zinc/30/97/15/780309715.db2.gz WNSBMQYCDSMURL-UHFFFAOYSA-N 0 0 254.337 2.550 20 10 CFCDRN CCn1cc(-c2ccc3cc(C(=O)OC)n(C)c3c2)cn1 ZINC001240650343 780326177 /nfs/dbraw/zinc/32/61/77/780326177.db2.gz ZTWHHXVMDOAFGS-UHFFFAOYSA-N 0 0 283.331 2.848 20 10 CFCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1ccc2[nH]ccc2c1 ZINC001128185419 780355296 /nfs/dbraw/zinc/35/52/96/780355296.db2.gz GBIDXJCIMFAESN-DAXSKMNVSA-N 0 0 294.358 2.968 20 10 CFCDRN Cc1ncccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001240730838 780398834 /nfs/dbraw/zinc/39/88/34/780398834.db2.gz ZEZYKPRADNBXRM-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN CCn1ccc(-c2cncc(C(F)(F)F)c2)cc1=O ZINC001240793199 780447803 /nfs/dbraw/zinc/44/78/03/780447803.db2.gz DAJUBGSZQXQPAJ-UHFFFAOYSA-N 0 0 268.238 2.949 20 10 CFCDRN Cc1cc2c(cccc2-c2cnn(C3COC3)c2)n1C ZINC001240799048 780452149 /nfs/dbraw/zinc/45/21/49/780452149.db2.gz FUWCHMIYTVIJSQ-UHFFFAOYSA-N 0 0 267.332 2.922 20 10 CFCDRN Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)cs1 ZINC001168729888 780556345 /nfs/dbraw/zinc/55/63/45/780556345.db2.gz KNKQTZXZAJEYFX-UHFFFAOYSA-N 0 0 263.318 2.649 20 10 CFCDRN COC(=O)c1cnc(-c2ccccc2N)c2ccn(C)c21 ZINC001241058241 780617573 /nfs/dbraw/zinc/61/75/73/780617573.db2.gz DYCKXTXXUGKJQM-UHFFFAOYSA-N 0 0 281.315 2.609 20 10 CFCDRN Nc1ccccc1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001241079516 780629229 /nfs/dbraw/zinc/62/92/29/780629229.db2.gz UEPLDXSSVNTJEI-UHFFFAOYSA-N 0 0 277.327 2.541 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(C3CC3)CC2)ccc(F)c1F ZINC000700763215 780723439 /nfs/dbraw/zinc/72/34/39/780723439.db2.gz AGWGDVZMRIATKP-UHFFFAOYSA-N 0 0 253.292 2.950 20 10 CFCDRN c1ccc(N2CC=C(c3nccc4n[nH]nc43)CC2)cc1 ZINC001241338994 780794299 /nfs/dbraw/zinc/79/42/99/780794299.db2.gz USYDKDWLQPUUDZ-UHFFFAOYSA-N 0 0 277.331 2.647 20 10 CFCDRN Cc1ncccc1/C=C\C(=O)N1CCOCc2ccccc21 ZINC001128749305 780796144 /nfs/dbraw/zinc/79/61/44/780796144.db2.gz PQPDALWDEZNMIU-HJWRWDBZSA-N 0 0 294.354 2.967 20 10 CFCDRN c1ccc(N2CC=C(c3cnc(N4CCC4)nc3)CC2)cc1 ZINC001241352631 780804132 /nfs/dbraw/zinc/80/41/32/780804132.db2.gz ZJSLIZPPJFWLAK-UHFFFAOYSA-N 0 0 292.386 2.980 20 10 CFCDRN CCn1nccc(C2=CCN(c3ccccc3)CC2)c1=O ZINC001241354655 780805607 /nfs/dbraw/zinc/80/56/07/780805607.db2.gz NTUNSIUYAQUFTD-UHFFFAOYSA-N 0 0 281.359 2.557 20 10 CFCDRN Nc1ccc(NC(=O)NCCC2(F)CCC2)cc1 ZINC000702531312 780933595 /nfs/dbraw/zinc/93/35/95/780933595.db2.gz KSXMADGPDOACMS-UHFFFAOYSA-N 0 0 251.305 2.673 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H]2CC2(F)F)ccc(F)c1F ZINC000703213159 780999153 /nfs/dbraw/zinc/99/91/53/780999153.db2.gz HIKVIVSZDXGGPX-MRVPVSSYSA-N 0 0 263.234 2.805 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703232534 781000205 /nfs/dbraw/zinc/00/02/05/781000205.db2.gz DLYYZTYQPSKWEI-YDEXJTGXSA-N 0 0 271.307 2.572 20 10 CFCDRN Cc1cccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000703232229 781000481 /nfs/dbraw/zinc/00/04/81/781000481.db2.gz CGOGFVTTYCUJMW-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN CC[C@@](C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000703276787 781001030 /nfs/dbraw/zinc/00/10/30/781001030.db2.gz YZQVMYPTQRIOTE-ZDUSSCGKSA-N 0 0 259.296 2.575 20 10 CFCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258959 781005650 /nfs/dbraw/zinc/00/56/50/781005650.db2.gz LKBIWAKWPKCZJN-JTQLQIEISA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258491 781005898 /nfs/dbraw/zinc/00/58/98/781005898.db2.gz GPHOQWCJIVQJCO-XCBNKYQSSA-N 0 0 259.321 2.654 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703293336 781006965 /nfs/dbraw/zinc/00/69/65/781006965.db2.gz CACLJOOOYXKXOG-DOFRTFSJSA-N 0 0 271.307 2.716 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H]2CCCCO2)ccc(F)c1F ZINC000703348273 781008593 /nfs/dbraw/zinc/00/85/93/781008593.db2.gz NCUCFMKZCGPXKS-NSHDSACASA-N 0 0 271.307 2.719 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCC(F)(F)C2)ccc(F)c1F ZINC000703393772 781013661 /nfs/dbraw/zinc/01/36/61/781013661.db2.gz CSLZZFIYYWWPFQ-QMMMGPOBSA-N 0 0 263.234 2.948 20 10 CFCDRN CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000703504440 781017102 /nfs/dbraw/zinc/01/71/02/781017102.db2.gz YPDANGBEGWSLCB-LBPRGKRZSA-N 0 0 284.350 2.587 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCOC1 ZINC000703532155 781026579 /nfs/dbraw/zinc/02/65/79/781026579.db2.gz SVWNFEWFZLLYOC-SNVBAGLBSA-N 0 0 271.307 2.529 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001137837501 781139772 /nfs/dbraw/zinc/13/97/72/781139772.db2.gz JJQHELWLGIARPL-UHFFFAOYSA-N 0 0 265.328 2.534 20 10 CFCDRN COCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837915 781141682 /nfs/dbraw/zinc/14/16/82/781141682.db2.gz YXNYWIGYRFUGGZ-LBPRGKRZSA-N 0 0 267.344 2.922 20 10 CFCDRN COCc1nccnc1-c1cccc2c1ccn2C ZINC001241819966 781142731 /nfs/dbraw/zinc/14/27/31/781142731.db2.gz GTPOMLBQSABLLR-UHFFFAOYSA-N 0 0 253.305 2.782 20 10 CFCDRN Nc1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1 ZINC000705680082 781144516 /nfs/dbraw/zinc/14/45/16/781144516.db2.gz LXPZLZLSEBGZPT-UHFFFAOYSA-N 0 0 269.295 2.922 20 10 CFCDRN COC(=O)[C@H](C)c1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241823753 781144469 /nfs/dbraw/zinc/14/44/69/781144469.db2.gz UTLJFVTVIUQJJC-LLVKDONJSA-N 0 0 295.342 2.912 20 10 CFCDRN CON(C)C(=O)c1ccc(-c2cccc3c2ccn3C)cn1 ZINC001241824657 781145509 /nfs/dbraw/zinc/14/55/09/781145509.db2.gz UTHMAOFQZNDGSG-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN COC(=O)c1cnc(-c2cnn(C3CC3)c2)c2ccn(C)c21 ZINC001241905502 781172364 /nfs/dbraw/zinc/17/23/64/781172364.db2.gz YQSRRPLVLIXNKW-UHFFFAOYSA-N 0 0 296.330 2.558 20 10 CFCDRN Nc1ccc(CNc2cc(Cl)nc3nc[nH]c32)cc1 ZINC001162785355 781190244 /nfs/dbraw/zinc/19/02/44/781190244.db2.gz AUYOFFNKWXOQKO-UHFFFAOYSA-N 0 0 273.727 2.806 20 10 CFCDRN Nc1ccc(CC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC000706934976 781217390 /nfs/dbraw/zinc/21/73/90/781217390.db2.gz JTJSVINDWIQXKW-CYBMUJFWSA-N 0 0 258.365 2.674 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707506446 781253278 /nfs/dbraw/zinc/25/32/78/781253278.db2.gz IBWRYINKCDVJCN-WKFQBHICSA-N 0 0 276.163 2.560 20 10 CFCDRN CCN(CCC(F)(F)F)C(=O)Cc1ccc(N)cc1 ZINC000708337583 781270835 /nfs/dbraw/zinc/27/08/35/781270835.db2.gz ODIXMIAQULKOTM-UHFFFAOYSA-N 0 0 274.286 2.612 20 10 CFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393833 781271583 /nfs/dbraw/zinc/27/15/83/781271583.db2.gz JTNBCGLYBKKRSX-VXFNFUGZSA-N 0 0 271.307 2.572 20 10 CFCDRN COC[C@@]1(C)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708399230 781273907 /nfs/dbraw/zinc/27/39/07/781273907.db2.gz KCLVCCYEIRQYRM-AWEZNQCLSA-N 0 0 271.307 2.529 20 10 CFCDRN CCC(C)(C)OCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440994 781275017 /nfs/dbraw/zinc/27/50/17/781275017.db2.gz GVIXPXKOTPZBLC-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000708534881 781292118 /nfs/dbraw/zinc/29/21/18/781292118.db2.gz GARGREMHPJTTQQ-NXEZZACHSA-N 0 0 271.307 2.575 20 10 CFCDRN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534849 781292483 /nfs/dbraw/zinc/29/24/83/781292483.db2.gz FGKQIKSAMXGCCA-GFCCVEGCSA-N 0 0 284.350 2.633 20 10 CFCDRN Cn1ccc2c1ncnc2-c1ccc(OCC2CC2)nc1 ZINC001242212219 781329203 /nfs/dbraw/zinc/32/92/03/781329203.db2.gz AVIOOMYVGLSZHG-UHFFFAOYSA-N 0 0 280.331 2.819 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)ccc(F)c1F ZINC000711423411 781430633 /nfs/dbraw/zinc/43/06/33/781430633.db2.gz QLCOXGHWRHTUTF-NSHDSACASA-N 0 0 283.318 2.862 20 10 CFCDRN COC(C)(C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000711892104 781487141 /nfs/dbraw/zinc/48/71/41/781487141.db2.gz JDLQQVMZPXBNHJ-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN CC(C)Cn1ccc(-c2cnn(C(F)(F)F)c2)cc1=O ZINC001242464367 781519121 /nfs/dbraw/zinc/51/91/21/781519121.db2.gz GJBCOACSCWOTCS-UHFFFAOYSA-N 0 0 285.269 2.844 20 10 CFCDRN C[C@H](NC(=O)NC/C=C\C1CC1)c1ccccc1O ZINC001119037929 781743889 /nfs/dbraw/zinc/74/38/89/781743889.db2.gz OQBRYEIBRVTBOB-WYGGZMRJSA-N 0 0 260.337 2.719 20 10 CFCDRN C[C@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180246628 300388977 /nfs/dbraw/zinc/38/89/77/300388977.db2.gz HXAXGXVVXTZPEK-VIFPVBQESA-N 0 0 257.786 2.983 20 10 CFCDRN CC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000069913946 346903611 /nfs/dbraw/zinc/90/36/11/346903611.db2.gz QTZFTMSVKZNSND-SNVBAGLBSA-N 0 0 252.333 2.554 20 10 CFCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000069914858 346904040 /nfs/dbraw/zinc/90/40/40/346904040.db2.gz KDEODFSEPNMMKZ-GFCCVEGCSA-N 0 0 296.386 2.713 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000070707198 346911904 /nfs/dbraw/zinc/91/19/04/346911904.db2.gz PFAMNBGHOQILQX-QGZVFWFLSA-N 0 0 298.386 2.691 20 10 CFCDRN CCN(C)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000075475638 347079655 /nfs/dbraw/zinc/07/96/55/347079655.db2.gz QABYGZCVFXBPPT-UHFFFAOYSA-N 0 0 289.404 2.658 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000075543057 347084141 /nfs/dbraw/zinc/08/41/41/347084141.db2.gz NGIIKYAMDLEAEQ-STQMWFEESA-N 0 0 275.396 2.550 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000047099513 346445034 /nfs/dbraw/zinc/44/50/34/346445034.db2.gz WTADPILUDYBDDW-TZMCWYRMSA-N 0 0 275.396 2.550 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000051374590 346503286 /nfs/dbraw/zinc/50/32/86/346503286.db2.gz GLOVEDJISZRVBU-HUUCEWRRSA-N 0 0 282.343 2.549 20 10 CFCDRN COc1cccc(CNc2ncc(C)cc2[N+](=O)[O-])c1O ZINC000078658378 347268095 /nfs/dbraw/zinc/26/80/95/347268095.db2.gz RCHZABHIDCEGBK-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN COc1ccc(O)c(CNc2nc(C(C)C)ns2)c1 ZINC000092654515 347637367 /nfs/dbraw/zinc/63/73/67/347637367.db2.gz ODJILXNUGOOGNI-UHFFFAOYSA-N 0 0 279.365 2.988 20 10 CFCDRN CCOc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1 ZINC000295173497 199387200 /nfs/dbraw/zinc/38/72/00/199387200.db2.gz HAUDEIXQCFQDSM-UHFFFAOYSA-N 0 0 297.376 2.991 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCC[C@H]1O ZINC000294846775 199210539 /nfs/dbraw/zinc/21/05/39/199210539.db2.gz ZNHIKPOFAVDZGM-VXGBXAGGSA-N 0 0 273.735 2.530 20 10 CFCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1cn[nH]c1 ZINC000276908174 299345424 /nfs/dbraw/zinc/34/54/24/299345424.db2.gz KGJCCSXYFNNTPC-YUMQZZPRSA-N 0 0 267.279 2.805 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187831428 299375364 /nfs/dbraw/zinc/37/53/64/299375364.db2.gz IYPUIJSJXFIGSG-VHSXEESVSA-N 0 0 271.307 2.890 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276865252 299393143 /nfs/dbraw/zinc/39/31/43/299393143.db2.gz DCMVDNHYWXFZTM-KXUCPTDWSA-N 0 0 271.307 2.889 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(F)c(F)c1[O-] ZINC000364801148 299399513 /nfs/dbraw/zinc/39/95/13/299399513.db2.gz XMCYGHRWNWQPDR-ZDAZMGEQSA-N 0 0 283.318 2.889 20 10 CFCDRN CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1 ZINC000037323536 372663925 /nfs/dbraw/zinc/66/39/25/372663925.db2.gz OBSUOCRUJJWDIO-ZDUSSCGKSA-N 0 0 297.782 2.859 20 10 CFCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccc(N)cc1 ZINC000246240505 288601330 /nfs/dbraw/zinc/60/13/30/288601330.db2.gz IUMUOURWLLZRSJ-IVMMDQJWSA-N 0 0 272.392 2.991 20 10 CFCDRN CC(C)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058731075 373666886 /nfs/dbraw/zinc/66/68/86/373666886.db2.gz OSSNNNVOLVARDH-UHFFFAOYSA-N 0 0 266.360 2.944 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncs2)nc1 ZINC000493648214 246655508 /nfs/dbraw/zinc/65/55/08/246655508.db2.gz RQUYYLJDCZYCGW-XQRVVYSFSA-N 0 0 259.334 2.523 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000092324702 375102282 /nfs/dbraw/zinc/10/22/82/375102282.db2.gz VMIOVAWDJIHJTL-SECBINFHSA-N 0 0 277.343 2.732 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOC2(CCC2)C1 ZINC000093640194 375280497 /nfs/dbraw/zinc/28/04/97/375280497.db2.gz DHRRLGBUFOZRQQ-UHFFFAOYSA-N 0 0 267.756 2.801 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCOCC12CCC2 ZINC000093510083 375260314 /nfs/dbraw/zinc/26/03/14/375260314.db2.gz POGFDWKXWMOWTI-UHFFFAOYSA-N 0 0 267.756 2.801 20 10 CFCDRN COc1ccc(N(CC(=O)N(C)C2CC2)C(C)C)cc1F ZINC000112979506 375981078 /nfs/dbraw/zinc/98/10/78/375981078.db2.gz OKCFEVWKRMVNNG-UHFFFAOYSA-N 0 0 294.370 2.670 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1cnn(C2CC2)c1 ZINC000529513491 383715256 /nfs/dbraw/zinc/71/52/56/383715256.db2.gz RXFJDYKGFBPSRV-UHFFFAOYSA-N 0 0 291.738 2.507 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000122931888 376942224 /nfs/dbraw/zinc/94/22/24/376942224.db2.gz GIOYYIZLKCSYBM-CYBMUJFWSA-N 0 0 284.407 2.653 20 10 CFCDRN COCCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000123997755 377005161 /nfs/dbraw/zinc/00/51/61/377005161.db2.gz AKPNREXUPQSMKV-UHFFFAOYSA-N 0 0 281.743 2.501 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000124693981 377078240 /nfs/dbraw/zinc/07/82/40/377078240.db2.gz GLBOWPCNSKPQMB-OAHLLOKOSA-N 0 0 264.413 2.767 20 10 CFCDRN Oc1ccc(Br)cc1CN1CCSCC1 ZINC000126156935 377213630 /nfs/dbraw/zinc/21/36/30/377213630.db2.gz QSACUNWBOUBJIB-UHFFFAOYSA-N 0 0 288.210 2.704 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC2(CCCC2)CC1 ZINC000126402256 377226526 /nfs/dbraw/zinc/22/65/26/377226526.db2.gz LOYQXPHUNGCHNB-UHFFFAOYSA-N 0 0 275.348 2.894 20 10 CFCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000128105196 377317938 /nfs/dbraw/zinc/31/79/38/377317938.db2.gz QSCPEVSLPSRILE-PBHICJAKSA-N 0 0 292.398 2.893 20 10 CFCDRN COc1ccc(N(C)CCCSC)c(OC)c1 ZINC000131754797 377757852 /nfs/dbraw/zinc/75/78/52/377757852.db2.gz ORJZCRGBKSCPIK-UHFFFAOYSA-N 0 0 255.383 2.893 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H]2CC[C@H](C)C2)c1O ZINC000133042295 377899180 /nfs/dbraw/zinc/89/91/80/377899180.db2.gz GOMSKTQDJLVHFT-RYUDHWBXSA-N 0 0 277.364 2.843 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(F)c1 ZINC000133008623 377893887 /nfs/dbraw/zinc/89/38/87/377893887.db2.gz HUHQNAUQVSSNGH-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN CCOc1cc(NCc2ccc(N(C)C)cc2)ncn1 ZINC000136000049 378175136 /nfs/dbraw/zinc/17/51/36/378175136.db2.gz RQXVNNZCTQDIGM-UHFFFAOYSA-N 0 0 272.352 2.553 20 10 CFCDRN CCCC[C@@H](NCc1cccc(OCC)c1O)C(=O)OC ZINC000154535878 378578576 /nfs/dbraw/zinc/57/85/76/378578576.db2.gz XLUOYDZIYVBAAF-CYBMUJFWSA-N 0 0 295.379 2.612 20 10 CFCDRN COc1cccc(CNC(=O)N[C@@H](C)C2CCCC2)c1O ZINC000174922795 379963409 /nfs/dbraw/zinc/96/34/09/379963409.db2.gz NQLAKYAVMIYGBU-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000175842284 380142721 /nfs/dbraw/zinc/14/27/21/380142721.db2.gz IRBRUYVJPFMWKZ-NSHDSACASA-N 0 0 273.376 2.933 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000177077191 380302401 /nfs/dbraw/zinc/30/24/01/380302401.db2.gz GJUZBIZUWIHZOU-NNQSOWQGSA-N 0 0 259.349 2.787 20 10 CFCDRN Cc1ccc(C(=O)N(C)CC2CCCC2)c(O)c1O ZINC000177677246 380365359 /nfs/dbraw/zinc/36/53/59/380365359.db2.gz SDMCMMDUMLGASP-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN CC(C)(C)NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178197137 380420833 /nfs/dbraw/zinc/42/08/33/380420833.db2.gz LFNRNAPSHHUBIG-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN CCOC(=O)CN(Cc1cc(OCC)ccc1O)C(C)C ZINC000179425181 380541821 /nfs/dbraw/zinc/54/18/21/380541821.db2.gz KMHMECISVBAGIH-UHFFFAOYSA-N 0 0 295.379 2.564 20 10 CFCDRN CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2O)[C@H](C)C1 ZINC000179579585 380561432 /nfs/dbraw/zinc/56/14/32/380561432.db2.gz RCAHHVUDNPZOJH-UKRRQHHQSA-N 0 0 262.397 2.554 20 10 CFCDRN Cc1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000179779990 380580572 /nfs/dbraw/zinc/58/05/72/380580572.db2.gz ZSOYFRCODAUJGV-ZDUSSCGKSA-N 0 0 271.364 2.803 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179875083 380590304 /nfs/dbraw/zinc/59/03/04/380590304.db2.gz OOAQJIFXKZTODD-CZUORRHYSA-N 0 0 296.370 2.848 20 10 CFCDRN COc1cc(N(C)Cc2ccco2)cc(OC)c1OC ZINC000180759014 380696759 /nfs/dbraw/zinc/69/67/59/380696759.db2.gz CJJJGQNQUZCRKC-UHFFFAOYSA-N 0 0 277.320 2.942 20 10 CFCDRN Cn1cnc(-c2cccc(NCc3ccccc3O)c2)n1 ZINC000181047704 380730846 /nfs/dbraw/zinc/73/08/46/380730846.db2.gz PMRGULPOLLEHHE-UHFFFAOYSA-N 0 0 280.331 2.800 20 10 CFCDRN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C ZINC000181297369 380772462 /nfs/dbraw/zinc/77/24/62/380772462.db2.gz SIKFVZYNBJFBEA-WBIIUDBISA-N 0 0 275.348 2.616 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(F)cc1[O-] ZINC000287526721 380855955 /nfs/dbraw/zinc/85/59/55/380855955.db2.gz OSVXZMKYRFIWQA-WOPDTQHZSA-N 0 0 267.344 2.855 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c(O)c1O ZINC000181836181 380910247 /nfs/dbraw/zinc/91/02/47/380910247.db2.gz LXMZGRSSPWKEGM-AWEZNQCLSA-N 0 0 298.342 2.779 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000295616007 380975504 /nfs/dbraw/zinc/97/55/04/380975504.db2.gz ZHWOPHJTXKYHJY-OLZOCXBDSA-N 0 0 277.364 2.583 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cccc(Cl)c1[O-] ZINC000287768555 380933785 /nfs/dbraw/zinc/93/37/85/380933785.db2.gz RJSBFIDNVVUOSK-MFKMUULPSA-N 0 0 294.786 2.767 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CF)cc1 ZINC000287774192 380934888 /nfs/dbraw/zinc/93/48/88/380934888.db2.gz WFXPEAAOXKUXBS-LBPRGKRZSA-N 0 0 281.375 2.690 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CF)cc1F ZINC000287818605 380947457 /nfs/dbraw/zinc/94/74/57/380947457.db2.gz TWAZESWADHTRST-NSHDSACASA-N 0 0 299.365 2.829 20 10 CFCDRN Oc1cc2c(cc1CN[C@@H](C1CC1)C(F)(F)F)OCO2 ZINC000288394173 381011310 /nfs/dbraw/zinc/01/13/10/381011310.db2.gz HIXKEBVQTDECME-LBPRGKRZSA-N 0 0 289.253 2.551 20 10 CFCDRN C[C@H]([NH2+]Cc1ccccc1O)[C@H](O)c1ccccc1 ZINC000288432339 381014096 /nfs/dbraw/zinc/01/40/96/381014096.db2.gz BTQWBOUPYWEAGY-LRDDRELGSA-N 0 0 257.333 2.604 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCSC1 ZINC000288101794 381006649 /nfs/dbraw/zinc/00/66/49/381006649.db2.gz WRBUSEWWZYMLSX-LBPRGKRZSA-N 0 0 294.420 2.677 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC1(C)C ZINC000288086820 381007459 /nfs/dbraw/zinc/00/74/59/381007459.db2.gz SMXAUMANHLFNJZ-CYBMUJFWSA-N 0 0 262.353 2.722 20 10 CFCDRN Cc1nccn1CCCOc1ccc(N(C)C)cc1 ZINC000289354112 381032386 /nfs/dbraw/zinc/03/23/86/381032386.db2.gz HRCPKFYGVPIVBC-UHFFFAOYSA-N 0 0 259.353 2.727 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C1CCCCCC1 ZINC000182529689 381106043 /nfs/dbraw/zinc/10/60/43/381106043.db2.gz YNADAJZSPFFBKF-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN CC[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000182529911 381107194 /nfs/dbraw/zinc/10/71/94/381107194.db2.gz QHGVZIDONNKVGE-LBPRGKRZSA-N 0 0 265.353 2.786 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000295787363 381075607 /nfs/dbraw/zinc/07/56/07/381075607.db2.gz RFTMITHWKRVITI-BNOWGMLFSA-N 0 0 291.391 2.971 20 10 CFCDRN CC(C)OCCCCNC(=O)N(C)Cc1ccccc1O ZINC000182785090 381155885 /nfs/dbraw/zinc/15/58/85/381155885.db2.gz PQVMNPWGDPSBDW-UHFFFAOYSA-N 0 0 294.395 2.739 20 10 CFCDRN CNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295933657 381165724 /nfs/dbraw/zinc/16/57/24/381165724.db2.gz KNGKWNYRTYMUAC-OAHLLOKOSA-N 0 0 296.370 2.529 20 10 CFCDRN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000182636979 381125975 /nfs/dbraw/zinc/12/59/75/381125975.db2.gz CLHXZXIYCMTWGT-QGZVFWFLSA-N 0 0 298.386 2.757 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2cnns2)cc1 ZINC000296105115 381256509 /nfs/dbraw/zinc/25/65/09/381256509.db2.gz UWEVODXQRPVHQO-UHFFFAOYSA-N 0 0 263.366 2.962 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290104537 381300205 /nfs/dbraw/zinc/30/02/05/381300205.db2.gz IETHNQSQPGKRFD-IINYFYTJSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C ZINC000183465286 381275511 /nfs/dbraw/zinc/27/55/11/381275511.db2.gz NOYDTCOHXOLAEF-JTQLQIEISA-N 0 0 265.353 2.581 20 10 CFCDRN O=C(NCC1CCCCC1)c1c(F)ccc(O)c1O ZINC000296325133 381348380 /nfs/dbraw/zinc/34/83/80/381348380.db2.gz HGKJEDMUJUTCLP-UHFFFAOYSA-N 0 0 267.300 2.547 20 10 CFCDRN COCCC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000184132961 381374918 /nfs/dbraw/zinc/37/49/18/381374918.db2.gz UADXSGXBKKQKLT-UHFFFAOYSA-N 0 0 292.423 2.774 20 10 CFCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)C(F)(F)F ZINC000297226212 381552906 /nfs/dbraw/zinc/55/29/06/381552906.db2.gz ONBKFKKDRIFEHL-UHFFFAOYSA-N 0 0 274.286 2.864 20 10 CFCDRN C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1[O-] ZINC000185052280 381522527 /nfs/dbraw/zinc/52/25/27/381522527.db2.gz UOWRTDJTATXJSQ-NSHDSACASA-N 0 0 295.354 2.868 20 10 CFCDRN CCOCCC1(C(=O)NCc2ccc(N)cc2)CCCC1 ZINC000297120706 381551652 /nfs/dbraw/zinc/55/16/52/381551652.db2.gz GOIZENMJCYDMIK-UHFFFAOYSA-N 0 0 290.407 2.872 20 10 CFCDRN CN1CCCc2cc(CN[C@@H]3CCn4ccnc43)ccc21 ZINC000297712847 381569207 /nfs/dbraw/zinc/56/92/07/381569207.db2.gz MWJPMJKFGCVGEC-OAHLLOKOSA-N 0 0 282.391 2.500 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000185307931 381593452 /nfs/dbraw/zinc/59/34/52/381593452.db2.gz ARFFKZDJWVOIIC-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(F)cc1[O-] ZINC000185373024 381615454 /nfs/dbraw/zinc/61/54/54/381615454.db2.gz HAIMBKIBDIGQPV-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN CCOC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000371465880 381633847 /nfs/dbraw/zinc/63/38/47/381633847.db2.gz IWTMRIKMGQOBCR-CQSZACIVSA-N 0 0 277.364 2.700 20 10 CFCDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185481933 381646482 /nfs/dbraw/zinc/64/64/82/381646482.db2.gz YPTNUAQXLIKBGK-JQWIXIFHSA-N 0 0 269.360 2.979 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)/C=C/C3CC3)C2)cc1 ZINC000371614181 381665881 /nfs/dbraw/zinc/66/58/81/381665881.db2.gz BANJQCAMXNHFRB-BJMVGYQFSA-N 0 0 282.387 2.944 20 10 CFCDRN C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185652224 381693344 /nfs/dbraw/zinc/69/33/44/381693344.db2.gz GNPSMLYRWIGVJW-GXTWGEPZSA-N 0 0 289.350 2.958 20 10 CFCDRN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1C ZINC000298771994 381745438 /nfs/dbraw/zinc/74/54/38/381745438.db2.gz IUUMVBLKSDPYBG-UHFFFAOYSA-N 0 0 299.418 2.980 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1O ZINC000186458287 381916984 /nfs/dbraw/zinc/91/69/84/381916984.db2.gz VEFRKMBWVBPVNG-LRDDRELGSA-N 0 0 277.364 2.699 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCc3c(ncn3C)C2)c1O ZINC000375016945 382064630 /nfs/dbraw/zinc/06/46/30/382064630.db2.gz ZXLZJLWLTGBTKJ-UHFFFAOYSA-N 0 0 291.782 2.646 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000375703538 382098498 /nfs/dbraw/zinc/09/84/98/382098498.db2.gz HRKJTGYZAPGZMM-WCQYABFASA-N 0 0 267.756 2.656 20 10 CFCDRN Oc1ccc(CCNc2ncnc3ccccc32)cc1O ZINC000301588948 382178268 /nfs/dbraw/zinc/17/82/68/382178268.db2.gz XADQFBQCYWTVDH-UHFFFAOYSA-N 0 0 281.315 2.696 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC2CCC1CC2 ZINC000376826775 382180956 /nfs/dbraw/zinc/18/09/56/382180956.db2.gz DGUSWGQFAPAFNQ-XBXARRHUSA-N 0 0 273.332 2.512 20 10 CFCDRN C[C@]1(C(=O)NCc2ccccc2O)[C@@H]2Cc3ccccc3[C@@H]21 ZINC000376744060 382170443 /nfs/dbraw/zinc/17/04/43/382170443.db2.gz PHNGIOLTHTYJLU-AYBZRNKSSA-N 0 0 293.366 2.984 20 10 CFCDRN O=C(c1cccc(O)c1O)N1Cc2cccc(Cl)c2C1 ZINC000377110267 382217416 /nfs/dbraw/zinc/21/74/16/382217416.db2.gz HGWPSHHUFVSHNY-UHFFFAOYSA-N 0 0 289.718 2.907 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000293660650 382220845 /nfs/dbraw/zinc/22/08/45/382220845.db2.gz PMRLAYZYRHKUNX-VXGBXAGGSA-N 0 0 273.735 2.578 20 10 CFCDRN C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293658878 382220921 /nfs/dbraw/zinc/22/09/21/382220921.db2.gz PIJJNNKEXATHHW-RKDXNWHRSA-N 0 0 275.751 2.681 20 10 CFCDRN CCC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000293785943 382279093 /nfs/dbraw/zinc/27/90/93/382279093.db2.gz WZWRTDYDOMIYOW-JTQLQIEISA-N 0 0 257.761 2.950 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1C ZINC000293796874 382283613 /nfs/dbraw/zinc/28/36/13/382283613.db2.gz CYJVYTVTQDBWTQ-INIZCTEOSA-N 0 0 275.392 2.888 20 10 CFCDRN Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377237574 382238938 /nfs/dbraw/zinc/23/89/38/382238938.db2.gz IPKVLWITJBEQRC-VXGBXAGGSA-N 0 0 281.783 2.904 20 10 CFCDRN C[C@H]1CCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000187697812 382251689 /nfs/dbraw/zinc/25/16/89/382251689.db2.gz HIJJOOQSWMZQIC-WCQYABFASA-N 0 0 277.364 2.583 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(F)cc1[O-] ZINC000293725790 382252368 /nfs/dbraw/zinc/25/23/68/382252368.db2.gz OBLBWIFVDLTQGF-ZFWWWQNUSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187732434 382259676 /nfs/dbraw/zinc/25/96/76/382259676.db2.gz MDRQGMCQQIKJFR-KWBADKCTSA-N 0 0 285.334 2.872 20 10 CFCDRN CCC(CC)(CNC(=O)N(C)Cc1ccccc1O)OC ZINC000293759966 382267620 /nfs/dbraw/zinc/26/76/20/382267620.db2.gz RZPROKGHHYFINE-UHFFFAOYSA-N 0 0 294.395 2.739 20 10 CFCDRN COC(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000188106589 382344390 /nfs/dbraw/zinc/34/43/90/382344390.db2.gz SGBFYBMRGIWSQD-HIFRSBDPSA-N 0 0 291.391 2.640 20 10 CFCDRN COCCCOCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293923985 382337898 /nfs/dbraw/zinc/33/78/98/382337898.db2.gz YDGRBQZBXFFKEX-UHFFFAOYSA-N 0 0 294.439 2.546 20 10 CFCDRN Oc1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294014640 382378772 /nfs/dbraw/zinc/37/87/72/382378772.db2.gz NCLUVZBNPXWKEU-HZPDHXFCSA-N 0 0 259.349 2.536 20 10 CFCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000188555858 382435524 /nfs/dbraw/zinc/43/55/24/382435524.db2.gz WCBDRXPIARIHPK-BJHJDKERSA-N 0 0 277.364 2.930 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365799848 382446467 /nfs/dbraw/zinc/44/64/67/382446467.db2.gz XWKISUDICJWYGR-LLVKDONJSA-N 0 0 292.335 2.541 20 10 CFCDRN C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000365554550 382412494 /nfs/dbraw/zinc/41/24/94/382412494.db2.gz DQQNZKWAQSZGMH-MEDUHNTESA-N 0 0 275.348 2.750 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378499549 382474384 /nfs/dbraw/zinc/47/43/84/382474384.db2.gz UIRRXSDFLAKPSO-KCPJHIHWSA-N 0 0 279.355 2.777 20 10 CFCDRN Cc1cc(N2CC=C(c3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000378526200 382479627 /nfs/dbraw/zinc/47/96/27/382479627.db2.gz KWXQSSHXWLGBEX-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN Cc1ccn(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000189021158 382526810 /nfs/dbraw/zinc/52/68/10/382526810.db2.gz BPINAHJHEKIKIH-UHFFFAOYSA-N 0 0 297.402 2.864 20 10 CFCDRN CN1CCc2cc(CNC(=O)[C@H]3CCC(F)(F)C3)ccc21 ZINC000366475223 382516286 /nfs/dbraw/zinc/51/62/86/382516286.db2.gz MUEYRQZATITGEC-ZDUSSCGKSA-N 0 0 294.345 2.731 20 10 CFCDRN Cc1c(NCc2ccccc2O)cnn1C1CCOCC1 ZINC000295118739 382576352 /nfs/dbraw/zinc/57/63/52/382576352.db2.gz MTSBYVQABWXQJY-UHFFFAOYSA-N 0 0 287.363 2.861 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccnn1C ZINC000346895922 382563092 /nfs/dbraw/zinc/56/30/92/382563092.db2.gz MHJAAPWFLYVGRJ-UHFFFAOYSA-N 0 0 297.362 2.542 20 10 CFCDRN COC(=O)c1cnc(SCCCCC(C)=O)s1 ZINC000295311126 382614379 /nfs/dbraw/zinc/61/43/79/382614379.db2.gz NEZFQQNKCYECJE-UHFFFAOYSA-N 0 0 273.379 2.781 20 10 CFCDRN COC[C@H](C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295316874 382615889 /nfs/dbraw/zinc/61/58/89/382615889.db2.gz LAJQOPPPXGOLTQ-QMMMGPOBSA-N 0 0 261.724 2.651 20 10 CFCDRN CCOC1CC(CSc2ncc(C(=O)OC)s2)C1 ZINC000295169458 382579572 /nfs/dbraw/zinc/57/95/72/382579572.db2.gz IDZGQPPNJNAJAD-UHFFFAOYSA-N 0 0 287.406 2.837 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CC[C@@H]1CCCO1 ZINC000189785259 382640836 /nfs/dbraw/zinc/64/08/36/382640836.db2.gz AEIFYFXUIBOTOG-AWEZNQCLSA-N 0 0 276.380 2.521 20 10 CFCDRN Cc1cc(C(=O)N2CCCCO2)c(C)n1-c1ccccn1 ZINC000190070042 382652403 /nfs/dbraw/zinc/65/24/03/382652403.db2.gz MOQXEWZWZLIQDT-UHFFFAOYSA-N 0 0 285.347 2.657 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1ccc(OCC2CC2)cc1 ZINC000190220427 382657188 /nfs/dbraw/zinc/65/71/88/382657188.db2.gz OUOMDWXOJIDKAE-KPKJPENVSA-N 0 0 291.397 2.964 20 10 CFCDRN COc1cccnc1N(C)C(=O)/C=C\c1scnc1C ZINC000493751508 382894031 /nfs/dbraw/zinc/89/40/31/382894031.db2.gz JFFPWXIMKBWQMZ-SREVYHEPSA-N 0 0 289.360 2.531 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cocc2C)c1 ZINC000528863309 383664297 /nfs/dbraw/zinc/66/42/97/383664297.db2.gz UXXNTGADOAXXQR-JTQLQIEISA-N 0 0 275.304 2.793 20 10 CFCDRN CC(C)Cn1cc(NC(=O)NCc2ccccc2O)cn1 ZINC000266427994 384172322 /nfs/dbraw/zinc/17/23/22/384172322.db2.gz WXWTUDCONRZSAC-UHFFFAOYSA-N 0 0 288.351 2.566 20 10 CFCDRN Cc1cc(NCCc2ccc(O)c(O)c2)nc(C2CC2)n1 ZINC000267260142 384338342 /nfs/dbraw/zinc/33/83/42/384338342.db2.gz KDTPAYRJKGRZOF-UHFFFAOYSA-N 0 0 285.347 2.728 20 10 CFCDRN CCOc1ccc(N(CC)CCOCCOC)cc1 ZINC000267473902 384399148 /nfs/dbraw/zinc/39/91/48/384399148.db2.gz ZUQGPSDMBMJNHH-UHFFFAOYSA-N 0 0 267.369 2.575 20 10 CFCDRN Cc1cc(C(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC000268351418 384609766 /nfs/dbraw/zinc/60/97/66/384609766.db2.gz DYKOGUICDKWRCY-KRWDZBQOSA-N 0 0 298.386 2.595 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@@H]2CNC(=O)O2)s1 ZINC000268311014 384598568 /nfs/dbraw/zinc/59/85/68/384598568.db2.gz JYZGAMAPKOMLKF-ZETCQYMHSA-N 0 0 272.395 2.641 20 10 CFCDRN CC(C)=CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268614210 384640687 /nfs/dbraw/zinc/64/06/87/384640687.db2.gz XBJJPUCHQBOLFV-OAHLLOKOSA-N 0 0 289.375 2.866 20 10 CFCDRN CCN(CCCc1nc(C)no1)c1ccc(OC)cc1 ZINC000268684622 384648224 /nfs/dbraw/zinc/64/82/24/384648224.db2.gz PHHYMUVAUINNFQ-UHFFFAOYSA-N 0 0 275.352 2.846 20 10 CFCDRN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccccc1O ZINC000269120286 384727412 /nfs/dbraw/zinc/72/74/12/384727412.db2.gz FREIUDRHKLUVFH-FZKQIMNGSA-N 0 0 299.370 2.563 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cc(Cl)nc(N)n1 ZINC000269346871 384749109 /nfs/dbraw/zinc/74/91/09/384749109.db2.gz IKLWNQOOJGSBAX-UHFFFAOYSA-N 0 0 292.770 2.834 20 10 CFCDRN COc1ccc(N(C)CCn2nc(C)cc2C)c(OC)c1 ZINC000269798405 384871002 /nfs/dbraw/zinc/87/10/02/384871002.db2.gz IPCVMCVMJHJDKF-UHFFFAOYSA-N 0 0 289.379 2.654 20 10 CFCDRN CC(C)CSCCCNC(=O)NCc1ccccc1O ZINC000270086504 384971222 /nfs/dbraw/zinc/97/12/22/384971222.db2.gz JKOOZMKXMOACMC-UHFFFAOYSA-N 0 0 296.436 2.971 20 10 CFCDRN CCOc1cccc(CN(CC(=O)OC)[C@H](C)CC)c1O ZINC000281268238 385188932 /nfs/dbraw/zinc/18/89/32/385188932.db2.gz NOIFNCYYDJJQNP-GFCCVEGCSA-N 0 0 295.379 2.564 20 10 CFCDRN CCN(CCn1ccnc1C)c1ccc(OC)cc1 ZINC000270871776 385254728 /nfs/dbraw/zinc/25/47/28/385254728.db2.gz LTZXNYMIVZFPCB-UHFFFAOYSA-N 0 0 259.353 2.727 20 10 CFCDRN COc1cc(O)c(C[N@H+](C)CCCOC(C)C)cc1OC ZINC000271058809 385323204 /nfs/dbraw/zinc/32/32/04/385323204.db2.gz BJRKBZWJFDLWDM-UHFFFAOYSA-N 0 0 297.395 2.656 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282390044 385299203 /nfs/dbraw/zinc/29/92/03/385299203.db2.gz RCUUKPCZMPFTOP-GXTWGEPZSA-N 0 0 279.380 2.790 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1F ZINC000271106875 385338297 /nfs/dbraw/zinc/33/82/97/385338297.db2.gz BBNWFHCYVVFMAT-HZPDHXFCSA-N 0 0 278.371 2.645 20 10 CFCDRN CC[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000271205290 385376360 /nfs/dbraw/zinc/37/63/60/385376360.db2.gz RLONLWVQAROLRE-UHFFFAOYSA-N 0 0 278.179 2.903 20 10 CFCDRN Cc1nccc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000271509310 385384494 /nfs/dbraw/zinc/38/44/94/385384494.db2.gz YKCNYBKUBTVJJY-HNNXBMFYSA-N 0 0 299.374 2.676 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271781972 385392520 /nfs/dbraw/zinc/39/25/20/385392520.db2.gz DWYWGVGRDCBPAU-LBPRGKRZSA-N 0 0 277.755 2.936 20 10 CFCDRN C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000271883789 385396122 /nfs/dbraw/zinc/39/61/22/385396122.db2.gz RNIQNTBSNQOAPY-DZGCQCFKSA-N 0 0 290.407 2.526 20 10 CFCDRN CCSCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000282844686 385398819 /nfs/dbraw/zinc/39/88/19/385398819.db2.gz SXQKSEJOVIRGSJ-LLVKDONJSA-N 0 0 297.420 2.973 20 10 CFCDRN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cccc(Cl)c1[O-] ZINC000283129071 385439537 /nfs/dbraw/zinc/43/95/37/385439537.db2.gz VYUIMDBBEOQBNY-ZDUSSCGKSA-N 0 0 291.782 2.946 20 10 CFCDRN Cc1noc(C(C)(C)NCc2cc(C)c(C)cc2O)n1 ZINC000284209287 385545789 /nfs/dbraw/zinc/54/57/89/385545789.db2.gz ZKQLKIQQHLADAP-UHFFFAOYSA-N 0 0 275.352 2.725 20 10 CFCDRN CC(C)[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000285209474 385552530 /nfs/dbraw/zinc/55/25/30/385552530.db2.gz WRXWOQSGTLUHIA-MRXNPFEDSA-N 0 0 292.423 2.507 20 10 CFCDRN CCn1cc(CCN(C)c2ccc(OC)c(F)c2)cn1 ZINC000285262373 385554276 /nfs/dbraw/zinc/55/42/76/385554276.db2.gz ZRQHHUQDKBVFQG-UHFFFAOYSA-N 0 0 277.343 2.730 20 10 CFCDRN CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(F)cc1[O-] ZINC000285998590 385559025 /nfs/dbraw/zinc/55/90/25/385559025.db2.gz IMUNQXAWUJWYIK-CQSZACIVSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)cc1[O-] ZINC000286045116 385559757 /nfs/dbraw/zinc/55/97/57/385559757.db2.gz JZGJRNBCZXCZPK-ZDUSSCGKSA-N 0 0 263.316 2.804 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)c(O)c1O ZINC000272709594 385593190 /nfs/dbraw/zinc/59/31/90/385593190.db2.gz DKTOTNHRRIUZDZ-VIFPVBQESA-N 0 0 263.337 2.667 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C)c(O)c1O ZINC000272804598 385619364 /nfs/dbraw/zinc/61/93/64/385619364.db2.gz ZCIXODIZRIMYKX-KOLCDFICSA-N 0 0 263.337 2.667 20 10 CFCDRN CCN(C[C@@H](C)OC)c1ccc(OC)c(OC)c1 ZINC000272870078 385637762 /nfs/dbraw/zinc/63/77/62/385637762.db2.gz ZMDIANWLYHBVIP-LLVKDONJSA-N 0 0 253.342 2.565 20 10 CFCDRN CN(C)c1ccc(CN2CCOC[C@H]2CC(F)F)cc1 ZINC000286515411 385638279 /nfs/dbraw/zinc/63/82/79/385638279.db2.gz QJVZRXMBNNJHSQ-CQSZACIVSA-N 0 0 284.350 2.609 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1[O-] ZINC000273299380 385675588 /nfs/dbraw/zinc/67/55/88/385675588.db2.gz AZGQGNOOHLDFRJ-NSHDSACASA-N 0 0 289.354 2.843 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000273301126 385675897 /nfs/dbraw/zinc/67/58/97/385675897.db2.gz BJQABVNVMSYQIH-SNVBAGLBSA-N 0 0 263.337 2.630 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273362427 385678930 /nfs/dbraw/zinc/67/89/30/385678930.db2.gz DDZKCNFXJHNLGG-LPEHRKFASA-N 0 0 250.298 2.607 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCCC2)c1 ZINC000273437106 385682974 /nfs/dbraw/zinc/68/29/74/385682974.db2.gz XIXPBPYPAVVURJ-JTQLQIEISA-N 0 0 263.337 2.772 20 10 CFCDRN CCn1cc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)cn1 ZINC000273496266 385685971 /nfs/dbraw/zinc/68/59/71/385685971.db2.gz PHAYXTJMTPJZFO-JTQLQIEISA-N 0 0 289.335 2.568 20 10 CFCDRN CS[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273516747 385686638 /nfs/dbraw/zinc/68/66/38/385686638.db2.gz SQHRWIZYSMBPQZ-BDAKNGLRSA-N 0 0 270.354 2.703 20 10 CFCDRN CC[C@@H](CSC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273546876 385688348 /nfs/dbraw/zinc/68/83/48/385688348.db2.gz ZPPHMUXFGZDBFX-PWSUYJOCSA-N 0 0 297.420 2.971 20 10 CFCDRN Cc1cnc(C)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000273862505 385695104 /nfs/dbraw/zinc/69/51/04/385695104.db2.gz MOIGXGJRSLZMLD-UHFFFAOYSA-N 0 0 298.390 2.542 20 10 CFCDRN CN(Cc1cn(C)nc1C(F)F)c1ccc2c(c1)OCO2 ZINC000274519767 385816090 /nfs/dbraw/zinc/81/60/90/385816090.db2.gz XXCSUUVCUDGWGW-UHFFFAOYSA-N 0 0 295.289 2.723 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276919427 386080577 /nfs/dbraw/zinc/08/05/77/386080577.db2.gz MDTQHTPEFJHRGO-YMTOWFKASA-N 0 0 273.323 2.872 20 10 CFCDRN C[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372446579 393450252 /nfs/dbraw/zinc/45/02/52/393450252.db2.gz MEWCIERWBWHZNT-ZDUSSCGKSA-N 0 0 287.407 2.763 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3CCC4(CCC4)C3)ccc21 ZINC000372453364 393450297 /nfs/dbraw/zinc/45/02/97/393450297.db2.gz COKBIBZVRPLBHY-UHFFFAOYSA-N 0 0 299.418 2.765 20 10 CFCDRN O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)c(F)c1 ZINC000301501382 393473861 /nfs/dbraw/zinc/47/38/61/393473861.db2.gz AXWJNPSRJQKOAZ-UHFFFAOYSA-N 0 0 292.266 2.800 20 10 CFCDRN CC(C)Cc1noc(CN(C)Cc2ccccc2O)n1 ZINC000109769290 393879707 /nfs/dbraw/zinc/87/97/07/393879707.db2.gz LTKFYUOOZRSWRZ-UHFFFAOYSA-N 0 0 275.352 2.606 20 10 CFCDRN CCc1noc([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000109772666 393879744 /nfs/dbraw/zinc/87/97/44/393879744.db2.gz AJQWSUMHEVQSEV-JTQLQIEISA-N 0 0 261.325 2.531 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000121258969 393952389 /nfs/dbraw/zinc/95/23/89/393952389.db2.gz GYXROXCTGWHOGU-UHFFFAOYSA-N 0 0 292.423 2.731 20 10 CFCDRN CN(Cc1nc(C(C)(C)C)no1)c1ccc2c(c1)OCO2 ZINC000121254860 393952511 /nfs/dbraw/zinc/95/25/11/393952511.db2.gz PSZNMKFLOHICHJ-UHFFFAOYSA-N 0 0 289.335 2.732 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)CCC2CC2)cc1F ZINC000121265766 393952783 /nfs/dbraw/zinc/95/27/83/393952783.db2.gz AJHVNIUAUYXUDA-UHFFFAOYSA-N 0 0 293.386 2.833 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncnc1C ZINC000348698877 393956332 /nfs/dbraw/zinc/95/63/32/393956332.db2.gz MCMWHZOEVGZWMF-UHFFFAOYSA-N 0 0 294.358 2.515 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCCCC2)cc1F ZINC000121753111 393959661 /nfs/dbraw/zinc/95/96/61/393959661.db2.gz HELGIYNIKHVIQS-UHFFFAOYSA-N 0 0 294.370 2.673 20 10 CFCDRN CCCc1nc(CN(C)c2ccc(OC)c(F)c2)no1 ZINC000121782025 393960734 /nfs/dbraw/zinc/96/07/34/393960734.db2.gz LLFHMFXAUSQNJR-UHFFFAOYSA-N 0 0 279.315 2.806 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CC2(CC2)c2ccccc21 ZINC000492871035 394085717 /nfs/dbraw/zinc/08/57/17/394085717.db2.gz WWYSJQQKKPXGLA-WAYWQWQTSA-N 0 0 265.316 2.501 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCCc2ncccc21 ZINC000493225302 394183733 /nfs/dbraw/zinc/18/37/33/394183733.db2.gz OTYTWGRMTJGEJP-AATRIKPKSA-N 0 0 271.345 2.531 20 10 CFCDRN CC[C@@H]([NH2+]CCCCO)c1cccc(Cl)c1[O-] ZINC000287081763 394201497 /nfs/dbraw/zinc/20/14/97/394201497.db2.gz OSLXJIANZDGDOE-GFCCVEGCSA-N 0 0 257.761 2.859 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])nc1 ZINC000493306333 394205813 /nfs/dbraw/zinc/20/58/13/394205813.db2.gz RUAUGDXVNXGFLN-NTMALXAHSA-N 0 0 297.314 2.974 20 10 CFCDRN C[C@H]1COCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365233384 394229958 /nfs/dbraw/zinc/22/99/58/394229958.db2.gz IGUSLOXYFJZYMQ-SECBINFHSA-N 0 0 273.735 2.653 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CCc2cc(Cl)ccc21 ZINC000493245751 394190289 /nfs/dbraw/zinc/19/02/89/394190289.db2.gz AIRIZMRKRBRKLR-RQOWECAXSA-N 0 0 285.734 2.733 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1[O-] ZINC000368098929 394267977 /nfs/dbraw/zinc/26/79/77/394267977.db2.gz DAWCDNUWLARPFE-WCQYABFASA-N 0 0 289.354 2.853 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](O)CC)c1cccc(Cl)c1[O-] ZINC000293616606 394284299 /nfs/dbraw/zinc/28/42/99/394284299.db2.gz JLLHWWKNPICNFJ-JOYOIKCWSA-N 0 0 257.761 2.857 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3cc(Cl)c[nH]3)ccc21 ZINC000372246556 394308462 /nfs/dbraw/zinc/30/84/62/394308462.db2.gz FCTKNSDIHXJKAY-UHFFFAOYSA-N 0 0 289.766 2.590 20 10 CFCDRN CN(C(=O)/C=C/c1cccnc1)c1cnc2ccccc2n1 ZINC000493785188 394316191 /nfs/dbraw/zinc/31/61/91/394316191.db2.gz JHKLQXNXDBCCSC-CMDGGOBGSA-N 0 0 290.326 2.701 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000527957275 394431854 /nfs/dbraw/zinc/43/18/54/394431854.db2.gz QXDKDDDEBUSWBS-MELADBBJSA-N 0 0 299.798 2.626 20 10 CFCDRN CCCCOC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000119528444 397600680 /nfs/dbraw/zinc/60/06/80/397600680.db2.gz GFVKFFSHIPMWBU-GFCCVEGCSA-N 0 0 265.353 2.556 20 10 CFCDRN CO[C@](C)(C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000290886591 286133728 /nfs/dbraw/zinc/13/37/28/286133728.db2.gz CLZCVTDKERVAMC-KRWDZBQOSA-N 0 0 290.407 2.526 20 10 CFCDRN COc1ccc(O)c([C@@H](C)Nc2c(C)nn(C)c2C)c1 ZINC000020135175 171022660 /nfs/dbraw/zinc/02/26/60/171022660.db2.gz LBMRISNEIKPQPV-SECBINFHSA-N 0 0 275.352 2.924 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)C2)c1O ZINC000037328976 173129426 /nfs/dbraw/zinc/12/94/26/173129426.db2.gz YUQWUDRFXQWTLH-UHFFFAOYSA-N 0 0 297.782 2.859 20 10 CFCDRN COCC1(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000348637104 226504050 /nfs/dbraw/zinc/50/40/50/226504050.db2.gz UEYZSMHVRVPMIK-UHFFFAOYSA-N 0 0 286.375 2.530 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000028336717 260135479 /nfs/dbraw/zinc/13/54/79/260135479.db2.gz VUWWLFOUWOMKPD-UHFFFAOYSA-N 0 0 258.365 2.703 20 10 CFCDRN Cc1c2ccccc2n(C)c1CN=c1nc[nH]n1C(C)C ZINC000414295496 262838231 /nfs/dbraw/zinc/83/82/31/262838231.db2.gz FTZGMZDFHKLVDN-UHFFFAOYSA-N 0 0 283.379 2.693 20 10 CFCDRN CC1(C)C(C)(C)C1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939520 649858875 /nfs/dbraw/zinc/85/88/75/649858875.db2.gz UGURQXYLGPIPAC-UHFFFAOYSA-N 0 0 291.391 2.829 20 10 CFCDRN O=C(C[C@@H]1CC=CCC1)NCCc1ccc(O)c(O)c1 ZINC000934938617 649859045 /nfs/dbraw/zinc/85/90/45/649859045.db2.gz HCMGIXHKGKLVLV-GFCCVEGCSA-N 0 0 275.348 2.503 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CC=CC2)c1 ZINC000934940556 649859284 /nfs/dbraw/zinc/85/92/84/649859284.db2.gz PHUIXXSTWZKISQ-LLVKDONJSA-N 0 0 275.348 2.934 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@H]2CCCC2(F)F)c1 ZINC000934942928 649859944 /nfs/dbraw/zinc/85/99/44/649859944.db2.gz RNTLRJVUBWEFLJ-LLVKDONJSA-N 0 0 299.317 2.843 20 10 CFCDRN c1csc(SCc2nc(-c3ccccn3)no2)n1 ZINC000363037547 267073994 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267335515 /nfs/dbraw/zinc/33/55/15/267335515.db2.gz YZOFMGVXWVPBOO-UHFFFAOYSA-N 0 0 296.370 2.814 20 10 CFCDRN C[C@H](C1CC1)N(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372449430 267566360 /nfs/dbraw/zinc/56/63/60/267566360.db2.gz ZGGRYYUHVMKUMC-GFCCVEGCSA-N 0 0 287.407 2.619 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000827805785 782044225 /nfs/dbraw/zinc/04/42/25/782044225.db2.gz WMSBHDXRZGGWCA-NEPJUHHUSA-N 0 0 277.364 2.930 20 10 CFCDRN CC(C)(C)c1cc(C(=O)Nc2ccc(N)cc2)no1 ZINC000269139691 277265044 /nfs/dbraw/zinc/26/50/44/277265044.db2.gz UPXXZGSNOUKEOO-UHFFFAOYSA-N 0 0 259.309 2.807 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])[C@H](O)C(F)F ZINC000296269975 288081226 /nfs/dbraw/zinc/08/12/26/288081226.db2.gz DOVGKQOUZJSQMV-ZIGWGHGNSA-N 0 0 295.276 2.726 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CF)cc1F ZINC000297423487 289408856 /nfs/dbraw/zinc/40/88/56/289408856.db2.gz ZEJAFQXCJJJUMM-LBPRGKRZSA-N 0 0 297.349 2.535 20 10 CFCDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187802471 293157648 /nfs/dbraw/zinc/15/76/48/293157648.db2.gz OBTNCYIBQCYOKO-UFBFGSQYSA-N 0 0 271.307 2.746 20 10 CFCDRN Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c[nH]1 ZINC000264713859 293158516 /nfs/dbraw/zinc/15/85/16/293158516.db2.gz DVWSBZFHHVJRFE-UHFFFAOYSA-N 0 0 298.390 2.589 20 10 CFCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000178524690 298065855 /nfs/dbraw/zinc/06/58/55/298065855.db2.gz AONYMDAYIPGMIQ-NSHDSACASA-N 0 0 274.364 2.524 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@H](C)CC2(C)C)c(O)c1O ZINC000272709592 301521153 /nfs/dbraw/zinc/52/11/53/301521153.db2.gz DKTOTNHRRIUZDZ-SECBINFHSA-N 0 0 263.337 2.667 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCOc2ccc(F)cc21 ZINC000255771598 327014436 /nfs/dbraw/zinc/01/44/36/327014436.db2.gz LWIIYWQNIYLWNH-UTCJRWHESA-N 0 0 284.290 2.660 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc(C)n2)c1 ZINC000255919851 327030889 /nfs/dbraw/zinc/03/08/89/327030889.db2.gz PJOOSMRWYPVGLL-FPLPWBNLSA-N 0 0 267.332 2.770 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CFCDRN CN(C)c1ccc(CNC(=O)CSCC2CC2)cc1 ZINC000291531141 522189789 /nfs/dbraw/zinc/18/97/89/522189789.db2.gz LFGISLXHWDHKDE-UHFFFAOYSA-N 0 0 278.421 2.512 20 10 CFCDRN CN(C)c1ccc(CNS(=O)(=O)CCC(C)(C)C)cc1 ZINC000264941517 522207896 /nfs/dbraw/zinc/20/78/96/522207896.db2.gz IKKFEVQLJHRUTI-UHFFFAOYSA-N 0 0 298.452 2.608 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC2(C)C)c1O ZINC000048945886 518279860 /nfs/dbraw/zinc/27/98/60/518279860.db2.gz HXEHJLSOEZJYTQ-UHFFFAOYSA-N 0 0 297.782 2.859 20 10 CFCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc(C2CC2)no1 ZINC000264569224 518369739 /nfs/dbraw/zinc/36/97/39/518369739.db2.gz CJWIECFMYIXCKL-FPYGCLRLSA-N 0 0 297.358 2.954 20 10 CFCDRN C/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000267484995 518480774 /nfs/dbraw/zinc/48/07/74/518480774.db2.gz AUMXZSQZDZEPRM-TVBJEHIUSA-N 0 0 289.375 2.866 20 10 CFCDRN C/C=C(\C)C(=O)NCc1cccc(Br)c1O ZINC000277628615 518481924 /nfs/dbraw/zinc/48/19/24/518481924.db2.gz WZZXIZSEBXBXQI-FPYGCLRLSA-N 0 0 284.153 2.737 20 10 CFCDRN CC(C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276561517 519272052 /nfs/dbraw/zinc/27/20/52/519272052.db2.gz JBQZFQXIPMMXQT-JTQLQIEISA-N 0 0 281.327 2.745 20 10 CFCDRN CC(C)(CO)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000290886881 519283800 /nfs/dbraw/zinc/28/38/00/519283800.db2.gz LCPXCDRLWKQNJF-AWEZNQCLSA-N 0 0 283.799 2.932 20 10 CFCDRN CC(=O)C(=O)CSc1nccn1-c1cccc(C)c1C ZINC000289742851 519356974 /nfs/dbraw/zinc/35/69/74/519356974.db2.gz UEXYMTXTAXXYHB-UHFFFAOYSA-N 0 0 288.372 2.739 20 10 CFCDRN CC(C)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000226373917 519570240 /nfs/dbraw/zinc/57/02/40/519570240.db2.gz MPJJZZOUDGHKIE-UHFFFAOYSA-N 0 0 260.381 2.706 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2cc(=O)c(O)co2)cc1 ZINC000277089914 519780324 /nfs/dbraw/zinc/78/03/24/519780324.db2.gz FWNWKWNJLRICSY-UHFFFAOYSA-N 0 0 289.331 2.769 20 10 CFCDRN CC(C)SCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000290226024 519787618 /nfs/dbraw/zinc/78/76/18/519787618.db2.gz XQSRJRAFQVWSHS-UHFFFAOYSA-N 0 0 270.354 2.532 20 10 CFCDRN CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1cccnc1 ZINC000236660727 519815398 /nfs/dbraw/zinc/81/53/98/519815398.db2.gz GSQCLWLFTWITTR-KRWDZBQOSA-N 0 0 297.402 2.762 20 10 CFCDRN CC(C)c1nc(C(=O)NCc2ccccc2O)cs1 ZINC000263800301 519859719 /nfs/dbraw/zinc/85/97/19/519859719.db2.gz NYHRHYAIGGYLIT-UHFFFAOYSA-N 0 0 276.361 2.902 20 10 CFCDRN CCCNC(=O)CN1CCCc2cc(OC(F)F)ccc21 ZINC000065596797 519876294 /nfs/dbraw/zinc/87/62/94/519876294.db2.gz LMQKESIDCOTUTA-UHFFFAOYSA-N 0 0 298.333 2.567 20 10 CFCDRN CCOCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293612991 519904551 /nfs/dbraw/zinc/90/45/51/519904551.db2.gz LYMZHKUNYSHHBB-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN CCCCCN1CC(=O)N[C@@H]1c1cc(C)c(C)cc1O ZINC000182329108 520179611 /nfs/dbraw/zinc/17/96/11/520179611.db2.gz DLXGJKWZZYQUML-INIZCTEOSA-N 0 0 276.380 2.630 20 10 CFCDRN CCOCc1nc([C@H](C)N[C@@H](C)c2ccccc2O)no1 ZINC000290020796 520219477 /nfs/dbraw/zinc/21/94/77/520219477.db2.gz CGRXUADNORXDCD-QWRGUYRKSA-N 0 0 291.351 2.724 20 10 CFCDRN CC1(C)CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000094321091 520318570 /nfs/dbraw/zinc/31/85/70/520318570.db2.gz SKKCPZQURXYILP-CQSZACIVSA-N 0 0 260.381 2.896 20 10 CFCDRN CC1(C)CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000274837527 520359025 /nfs/dbraw/zinc/35/90/25/520359025.db2.gz AUZOOCWLCCVPIX-NSHDSACASA-N 0 0 263.337 2.540 20 10 CFCDRN CCC[C@@H](CC)NC(=O)NCc1ccccc1O ZINC000263705223 520683260 /nfs/dbraw/zinc/68/32/60/520683260.db2.gz JEZOPQXKLGBXAU-GFCCVEGCSA-N 0 0 250.342 2.770 20 10 CFCDRN CCN(CC)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744858 520686483 /nfs/dbraw/zinc/68/64/83/520686483.db2.gz XUVYJBULIBPYIO-NSHDSACASA-N 0 0 254.349 2.524 20 10 CFCDRN CCCCOC[C@H](O)COc1ccc(N2CCCC2)cc1 ZINC000193392263 520810002 /nfs/dbraw/zinc/81/00/02/520810002.db2.gz CAGJJUXUXRSMMM-INIZCTEOSA-N 0 0 293.407 2.843 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C=O)c[nH]2)cc1 ZINC000292976667 520902781 /nfs/dbraw/zinc/90/27/81/520902781.db2.gz DXKLAYKFAKBLNM-UHFFFAOYSA-N 0 0 299.374 2.603 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230661736 520939304 /nfs/dbraw/zinc/93/93/04/520939304.db2.gz LOEBUZSPURGSAX-IINYFYTJSA-N 0 0 255.333 2.733 20 10 CFCDRN CCN(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000069913687 520946960 /nfs/dbraw/zinc/94/69/60/520946960.db2.gz XWFPBVSKUAMNBP-UHFFFAOYSA-N 0 0 275.396 2.694 20 10 CFCDRN CCOc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000236930344 520959710 /nfs/dbraw/zinc/95/97/10/520959710.db2.gz CTHXZQNGHSBRNR-UHFFFAOYSA-N 0 0 298.386 2.869 20 10 CFCDRN CCCCS[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000068489372 520963165 /nfs/dbraw/zinc/96/31/65/520963165.db2.gz KRZWCWWTKMHLIN-NSHDSACASA-N 0 0 297.420 2.939 20 10 CFCDRN CCOc1ccc(N(CC)CCc2cnn(C)c2)cc1 ZINC000265812329 521025398 /nfs/dbraw/zinc/02/53/98/521025398.db2.gz FUMLFXGQUGXXRN-UHFFFAOYSA-N 0 0 273.380 2.888 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nccn2C)cc1 ZINC000263967618 521028032 /nfs/dbraw/zinc/02/80/32/521028032.db2.gz OCWXUTGPVMOAJS-UHFFFAOYSA-N 0 0 259.353 2.845 20 10 CFCDRN CCN(CCn1c(C)csc1=O)c1ccc(OC)cc1 ZINC000299376398 521184127 /nfs/dbraw/zinc/18/41/27/521184127.db2.gz MHPDGMJEEDFVFE-UHFFFAOYSA-N 0 0 292.404 2.753 20 10 CFCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000279819924 521265754 /nfs/dbraw/zinc/26/57/54/521265754.db2.gz IFSQWXJDVOLZHZ-HNNXBMFYSA-N 0 0 265.353 2.930 20 10 CFCDRN CCOC(=O)[C@H](NCc1cccc(F)c1O)[C@H](C)CC ZINC000276484989 521271243 /nfs/dbraw/zinc/27/12/43/521271243.db2.gz OZAXZUBZGVMKOF-ZWNOBZJWSA-N 0 0 283.343 2.599 20 10 CFCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](C)OC ZINC000291135720 521344019 /nfs/dbraw/zinc/34/40/19/521344019.db2.gz XASREMQFTPXYAV-JTQLQIEISA-N 0 0 257.761 2.902 20 10 CFCDRN CCN(Cc1cccc(F)c1O)CC(F)(F)F ZINC000160204237 521350067 /nfs/dbraw/zinc/35/00/67/521350067.db2.gz GGHYPKYKMLILER-UHFFFAOYSA-N 0 0 251.223 2.916 20 10 CFCDRN CCN(Cc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000037805579 521402422 /nfs/dbraw/zinc/40/24/22/521402422.db2.gz DXRYWQXONLBTAG-UHFFFAOYSA-N 0 0 274.389 2.922 20 10 CFCDRN CCN(Cc1n[nH]cc1C)Cc1ccc(N(C)C)cc1 ZINC000284039701 521445272 /nfs/dbraw/zinc/44/52/72/521445272.db2.gz LRSWBMGLAWGDCM-UHFFFAOYSA-N 0 0 272.396 2.806 20 10 CFCDRN CCN(Cc1ncnn1C(C)C)c1ccc(OC)cc1 ZINC000280042950 521461682 /nfs/dbraw/zinc/46/16/82/521461682.db2.gz OFFVJSHSXZZYKR-UHFFFAOYSA-N 0 0 274.368 2.894 20 10 CFCDRN CCOC(=O)c1ccc(N(C)Cc2ccccc2O)nc1 ZINC000302643524 521480065 /nfs/dbraw/zinc/48/00/65/521480065.db2.gz LSLLZEJHSDSGHH-UHFFFAOYSA-N 0 0 286.331 2.600 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191185236 521640575 /nfs/dbraw/zinc/64/05/75/521640575.db2.gz RIVDTNAPKVWXSA-WDEREUQCSA-N 0 0 284.350 2.805 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnn(C)c1 ZINC000174649388 521688682 /nfs/dbraw/zinc/68/86/82/521688682.db2.gz XTBDNOWFYAFLJY-UHFFFAOYSA-N 0 0 288.351 2.570 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(F)F ZINC000295371701 521689045 /nfs/dbraw/zinc/68/90/45/521689045.db2.gz WVIPEEIBRVFUEH-LLVKDONJSA-N 0 0 269.291 2.786 20 10 CFCDRN CCS[C@@H]1CCCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236883283 521722891 /nfs/dbraw/zinc/72/28/91/521722891.db2.gz MMOLQLFJCCBGDX-OAHLLOKOSA-N 0 0 292.448 2.946 20 10 CFCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000162543381 521726711 /nfs/dbraw/zinc/72/67/11/521726711.db2.gz GPTDQTGFKJGUSJ-HUUCEWRRSA-N 0 0 292.448 2.944 20 10 CFCDRN CC[C@H](C)[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000277865912 521853867 /nfs/dbraw/zinc/85/38/67/521853867.db2.gz DHUZPYGAAYSPFB-WRWORJQWSA-N 0 0 291.269 2.805 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278218955 521868190 /nfs/dbraw/zinc/86/81/90/521868190.db2.gz LEMGYWCVUFTNTP-NSHDSACASA-N 0 0 294.351 2.931 20 10 CFCDRN COc1c([O-])c(C[NH2+]C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278573645 521873559 /nfs/dbraw/zinc/87/35/59/521873559.db2.gz DDZBQGBZQYZKMZ-UHFFFAOYSA-N 0 0 292.335 2.587 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278325877 521874406 /nfs/dbraw/zinc/87/44/06/521874406.db2.gz YRKHWFVUTVJJEX-QWRGUYRKSA-N 0 0 294.351 2.787 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278105122 521882625 /nfs/dbraw/zinc/88/26/25/521882625.db2.gz AFORITGTYSHJGK-PWSUYJOCSA-N 0 0 294.351 2.977 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCSC2)c1 ZINC000279879660 522137256 /nfs/dbraw/zinc/13/72/56/522137256.db2.gz GBFDCNSDGJRFQA-MNOVXSKESA-N 0 0 295.404 2.583 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2ccncc2)cc1 ZINC000298684128 522167643 /nfs/dbraw/zinc/16/76/43/522167643.db2.gz YLPRYHCTTVXBAZ-UHFFFAOYSA-N 0 0 297.402 2.739 20 10 CFCDRN CN(C)c1ccc(CNc2ncncc2Cl)cc1F ZINC000302677542 522214070 /nfs/dbraw/zinc/21/40/70/522214070.db2.gz VCFBKZUZBGGKNU-UHFFFAOYSA-N 0 0 280.734 2.947 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCSC1 ZINC000278699236 522255921 /nfs/dbraw/zinc/25/59/21/522255921.db2.gz PDOBSQMJSQQXFR-GFCCVEGCSA-N 0 0 278.421 2.705 20 10 CFCDRN CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278887913 522295885 /nfs/dbraw/zinc/29/58/85/522295885.db2.gz PBSFXBSOJNIDMJ-NXEZZACHSA-N 0 0 282.340 2.833 20 10 CFCDRN COC(=O)c1cnc(SCC[C@@H]2CCCO2)s1 ZINC000295412224 522341860 /nfs/dbraw/zinc/34/18/60/522341860.db2.gz XKLNXUCWWHCMSK-QMMMGPOBSA-N 0 0 273.379 2.591 20 10 CFCDRN CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000094949408 522510098 /nfs/dbraw/zinc/51/00/98/522510098.db2.gz USBOCNLHWAUECM-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000290232034 522735445 /nfs/dbraw/zinc/73/54/45/522735445.db2.gz RTGMTVVWHYFTHT-NRUUGDAUSA-N 0 0 255.333 2.995 20 10 CFCDRN COc1cc(O)c(CN(CC(F)F)C(C)C)cc1OC ZINC000160449439 522774810 /nfs/dbraw/zinc/77/48/10/522774810.db2.gz MSMULAUPLPVFRR-UHFFFAOYSA-N 0 0 289.322 2.885 20 10 CFCDRN COCC(C)(C)CCCNC(=O)c1ccc(C)c(O)c1O ZINC000292316459 522806772 /nfs/dbraw/zinc/80/67/72/522806772.db2.gz OOYZHYASVMWCMS-UHFFFAOYSA-N 0 0 295.379 2.589 20 10 CFCDRN COCCC1(C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000237162973 523018436 /nfs/dbraw/zinc/01/84/36/523018436.db2.gz FHKNOOGDGNBEBF-UHFFFAOYSA-N 0 0 262.353 2.804 20 10 CFCDRN CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC000291004276 523081587 /nfs/dbraw/zinc/08/15/87/523081587.db2.gz MIQNXJHHHIGBLA-UHFFFAOYSA-N 0 0 297.362 2.635 20 10 CFCDRN CN(C[C@H]1CCSC1)c1ccc2c(c1)OCO2 ZINC000278735678 523146665 /nfs/dbraw/zinc/14/66/65/523146665.db2.gz RMNKYZYZGLTEOM-SNVBAGLBSA-N 0 0 251.351 2.605 20 10 CFCDRN CC[C@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272876827 523373067 /nfs/dbraw/zinc/37/30/67/523373067.db2.gz UUKSCOURDXPZFE-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CSC(C)(C)C ZINC000077258355 523378722 /nfs/dbraw/zinc/37/87/22/523378722.db2.gz ACRYPFMDTMNMPC-UHFFFAOYSA-N 0 0 267.394 2.882 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CSCCS1 ZINC000124587841 523379198 /nfs/dbraw/zinc/37/91/98/523379198.db2.gz BBEVZSAMJNZQQY-GFCCVEGCSA-N 0 0 297.445 2.589 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000049399822 523385655 /nfs/dbraw/zinc/38/56/55/523385655.db2.gz GIRORSZSTQIGRT-OLZOCXBDSA-N 0 0 271.316 2.747 20 10 CFCDRN CN(Cc1ccccc1O)c1nc(N)c2ccccc2n1 ZINC000302674078 523388651 /nfs/dbraw/zinc/38/86/51/523388651.db2.gz SXWRNKQCPZSBIS-UHFFFAOYSA-N 0 0 280.331 2.554 20 10 CFCDRN CCc1cc(CC)nc(NCCc2ccc(O)c(O)c2)n1 ZINC000290827853 523787991 /nfs/dbraw/zinc/78/79/91/523787991.db2.gz UDLGWMVQSZTYAO-UHFFFAOYSA-N 0 0 287.363 2.667 20 10 CFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC000036127477 523850000 /nfs/dbraw/zinc/85/00/00/523850000.db2.gz SNBGHKQSHXYEFV-KRWDZBQOSA-N 0 0 280.371 2.957 20 10 CFCDRN COc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000237191416 523923393 /nfs/dbraw/zinc/92/33/93/523923393.db2.gz CSHLWDVAYRLKFA-UHFFFAOYSA-N 0 0 298.386 2.569 20 10 CFCDRN CO[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000279955087 523983120 /nfs/dbraw/zinc/98/31/20/523983120.db2.gz PGULDNYKDQDEEA-ZFWWWQNUSA-N 0 0 291.391 2.946 20 10 CFCDRN C[N@@H+]1CC[C@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)C1 ZINC000366534761 523995995 /nfs/dbraw/zinc/99/59/95/523995995.db2.gz LUXWEPWUIMNXGO-HNNXBMFYSA-N 0 0 298.789 2.712 20 10 CFCDRN COCCOc1ccc(NCc2cc(C)ccc2O)cn1 ZINC000071407447 524050242 /nfs/dbraw/zinc/05/02/42/524050242.db2.gz LFKIHUFOOXYPLM-UHFFFAOYSA-N 0 0 288.347 2.733 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1O ZINC000172117767 524072322 /nfs/dbraw/zinc/07/23/22/524072322.db2.gz ZNNVYBDLHSOAIP-UHFFFAOYSA-N 0 0 273.332 2.705 20 10 CFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nccs1 ZINC000047241831 524136608 /nfs/dbraw/zinc/13/66/08/524136608.db2.gz FZPQXZSOTOJXGK-ZJUUUORDSA-N 0 0 270.423 2.930 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CO)C2)cc1 ZINC000270396744 524216107 /nfs/dbraw/zinc/21/61/07/524216107.db2.gz UNHVPPDTGYTJTB-OAHLLOKOSA-N 0 0 298.386 2.549 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)CO)cc1 ZINC000285781795 524217329 /nfs/dbraw/zinc/21/73/29/524217329.db2.gz TUIXKCJRPYLFCM-CQSZACIVSA-N 0 0 286.375 2.547 20 10 CFCDRN COc1ccc(N(C)CCOCC(F)F)cc1F ZINC000189545441 524353580 /nfs/dbraw/zinc/35/35/80/524353580.db2.gz UXKMVGNSFBINAF-UHFFFAOYSA-N 0 0 263.259 2.552 20 10 CFCDRN COc1ccc(N(CC(=O)N2CCC2)[C@H](C)C2CC2)cc1 ZINC000264608137 524359528 /nfs/dbraw/zinc/35/95/28/524359528.db2.gz MQPXBAIUGLLTAM-CYBMUJFWSA-N 0 0 288.391 2.532 20 10 CFCDRN COc1ccc(N(C[C@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000073787264 524366582 /nfs/dbraw/zinc/36/65/82/524366582.db2.gz BPIVNBJLMPOLBR-CALCHBBNSA-N 0 0 291.391 2.860 20 10 CFCDRN Cc1cc(C)cc(CCNC(=O)Cc2ccc(N)cc2)c1 ZINC000237832186 524375671 /nfs/dbraw/zinc/37/56/71/524375671.db2.gz BIQPSYWBTQAHEX-UHFFFAOYSA-N 0 0 282.387 2.787 20 10 CFCDRN COc1ccc(N2CCCN(c3nccc(C)n3)CC2)cc1 ZINC000301298919 524406876 /nfs/dbraw/zinc/40/68/76/524406876.db2.gz ZLQCPCHFUZJZNY-UHFFFAOYSA-N 0 0 298.390 2.510 20 10 CFCDRN COc1ccc(N2CCN(c3cccc(C)n3)CC2)cc1 ZINC000156912390 524436700 /nfs/dbraw/zinc/43/67/00/524436700.db2.gz JUMSZWDZAOOJRX-UHFFFAOYSA-N 0 0 283.375 2.725 20 10 CFCDRN C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297235935 524517870 /nfs/dbraw/zinc/51/78/70/524517870.db2.gz PIUGMJPRRKXUEC-AWEZNQCLSA-N 0 0 298.386 2.990 20 10 CFCDRN Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(N)cc2)s1 ZINC000080226189 524658265 /nfs/dbraw/zinc/65/82/65/524658265.db2.gz APHQOUSTKUDKJS-LLVKDONJSA-N 0 0 288.416 2.929 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncncc1Cl ZINC000302784608 524699564 /nfs/dbraw/zinc/69/95/64/524699564.db2.gz UTNLCRTURQOVTD-MRVPVSSYSA-N 0 0 279.727 2.584 20 10 CFCDRN C[C@H](Cc1cccs1)NC(=O)Cc1ccc(N)cc1 ZINC000037020980 524750191 /nfs/dbraw/zinc/75/01/91/524750191.db2.gz PIVMHYXOTKFXPI-LLVKDONJSA-N 0 0 274.389 2.620 20 10 CFCDRN COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000037061438 524754990 /nfs/dbraw/zinc/75/49/90/524754990.db2.gz IPPGMUXWXDZQRU-UHFFFAOYSA-N 0 0 274.276 2.921 20 10 CFCDRN Cc1cc(Cl)cc(CN2CC(F)(F)C[C@H]2CO)c1O ZINC000364843382 524862706 /nfs/dbraw/zinc/86/27/06/524862706.db2.gz LFUOJFOFSQHUFT-NSHDSACASA-N 0 0 291.725 2.556 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cncc(Cl)n1 ZINC000302862140 524893054 /nfs/dbraw/zinc/89/30/54/524893054.db2.gz QVWKGWLXSPWALK-QMMMGPOBSA-N 0 0 279.727 2.584 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C(C)(C)C ZINC000274960699 524894063 /nfs/dbraw/zinc/89/40/63/524894063.db2.gz UAUVWMLHGONSDW-WDEREUQCSA-N 0 0 279.380 2.827 20 10 CFCDRN Cc1ccccc1CCC(=O)NCCc1ccc(N)cc1 ZINC000051966861 525103667 /nfs/dbraw/zinc/10/36/67/525103667.db2.gz YUNJLPBNRGLIMG-UHFFFAOYSA-N 0 0 282.387 2.869 20 10 CFCDRN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000117971140 525125523 /nfs/dbraw/zinc/12/55/23/525125523.db2.gz NZZYJCLXJDDGFT-YVEFUNNKSA-N 0 0 297.354 2.915 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cccc(F)c1[O-])C1CCCCC1 ZINC000276807391 525179899 /nfs/dbraw/zinc/17/98/99/525179899.db2.gz NNSRXVYHWYJVKX-INIZCTEOSA-N 0 0 281.371 2.952 20 10 CFCDRN Cc1ccccc1C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000037767078 525189943 /nfs/dbraw/zinc/18/99/43/525189943.db2.gz JATSBOHTYGOUGI-CQSZACIVSA-N 0 0 282.387 2.867 20 10 CFCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)c(C)n1 ZINC000094664295 525283431 /nfs/dbraw/zinc/28/34/31/525283431.db2.gz PRCLGJPRNKWKHO-UHFFFAOYSA-N 0 0 272.304 2.745 20 10 CFCDRN C[C@]1(NCc2cc(-c3ccccc3)ccc2O)CCOC1=O ZINC000289922151 525298926 /nfs/dbraw/zinc/29/89/26/525298926.db2.gz VMNMIRDJKMLXLN-SFHVURJKSA-N 0 0 297.354 2.854 20 10 CFCDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(F)cc1[O-] ZINC000230668250 525317163 /nfs/dbraw/zinc/31/71/63/525317163.db2.gz GSUQTXRIJFRZBI-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)cc1[O-] ZINC000097928431 525319980 /nfs/dbraw/zinc/31/99/80/525319980.db2.gz CBQBSEJAUWXCAM-NSHDSACASA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@@H]([NH2+]CCCCCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463268 525432119 /nfs/dbraw/zinc/43/21/19/525432119.db2.gz IMXANWVPBJFNKH-LLVKDONJSA-N 0 0 282.340 2.504 20 10 CFCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ncc[nH]1 ZINC000138957927 525444784 /nfs/dbraw/zinc/44/47/84/525444784.db2.gz FTHRZNJQAWBEAC-ZDUSSCGKSA-N 0 0 270.380 2.861 20 10 CFCDRN Cc1c(/C=C/C(=O)N2CC3(CC3)c3ccccc32)cnn1C ZINC000179346741 525514603 /nfs/dbraw/zinc/51/46/03/525514603.db2.gz ZXSJDUSREXEGKP-BQYQJAHWSA-N 0 0 293.370 2.820 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccncc1C ZINC000294547212 525531323 /nfs/dbraw/zinc/53/13/23/525531323.db2.gz JTQXSSABMPJCTO-UHFFFAOYSA-N 0 0 254.333 2.961 20 10 CFCDRN CSC[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066820318 525664742 /nfs/dbraw/zinc/66/47/42/525664742.db2.gz NXXMCWVTRFUOMD-LBPRGKRZSA-N 0 0 280.437 2.710 20 10 CFCDRN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000062747619 525922436 /nfs/dbraw/zinc/92/24/36/525922436.db2.gz IJOYCFFOAMLDJD-UWVGGRQHSA-N 0 0 277.343 2.985 20 10 CFCDRN COc1cccc(CNc2cn(C)nc2C(C)C)c1O ZINC000280164568 526044664 /nfs/dbraw/zinc/04/46/64/526044664.db2.gz BEHACTBUQMIKFJ-UHFFFAOYSA-N 0 0 275.352 2.870 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000267196260 526260428 /nfs/dbraw/zinc/26/04/28/526260428.db2.gz MHQPTGIMSLNIMZ-INIZCTEOSA-N 0 0 298.386 2.609 20 10 CFCDRN O=C(C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000247904998 526293036 /nfs/dbraw/zinc/29/30/36/526293036.db2.gz LXPJWYLIYYEHTI-HNNXBMFYSA-N 0 0 289.375 2.700 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCn1ccnc1 ZINC000041119152 526323643 /nfs/dbraw/zinc/32/36/43/526323643.db2.gz GUAAOBPOYWCOEV-UHFFFAOYSA-N 0 0 286.162 2.685 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000289914926 526326495 /nfs/dbraw/zinc/32/64/95/526326495.db2.gz VFWYPZMPULUANB-AWEZNQCLSA-N 0 0 291.778 2.739 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CSCCS1 ZINC000164754017 526328271 /nfs/dbraw/zinc/32/82/71/526328271.db2.gz NAJHLUWAUHKGPS-JTQLQIEISA-N 0 0 289.853 2.984 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1COc2ccccc21 ZINC000158773097 526330970 /nfs/dbraw/zinc/33/09/70/526330970.db2.gz PVNPPIFUPLJOFC-ZDUSSCGKSA-N 0 0 259.280 2.755 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000191426246 526345341 /nfs/dbraw/zinc/34/53/41/526345341.db2.gz RABGOXCILLCLPV-AWEZNQCLSA-N 0 0 285.746 2.797 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000365158673 526346567 /nfs/dbraw/zinc/34/65/67/526346567.db2.gz SXJDENCYXJRVSU-KDDOJWQBSA-N 0 0 285.746 2.842 20 10 CFCDRN O=C(CC1CCC1)NCc1cccc(Br)c1O ZINC000277628611 526350868 /nfs/dbraw/zinc/35/08/68/526350868.db2.gz WZXZTVRCUSONRZ-UHFFFAOYSA-N 0 0 298.180 2.961 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282524857 526408693 /nfs/dbraw/zinc/40/86/93/526408693.db2.gz PTTPWTRSAKMBFW-LLVKDONJSA-N 0 0 299.317 2.582 20 10 CFCDRN Cc1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1 ZINC000080130077 526690240 /nfs/dbraw/zinc/69/02/40/526690240.db2.gz CBDKGXAABZIDJH-UHFFFAOYSA-N 0 0 276.361 2.738 20 10 CFCDRN O=C(NCc1ccccc1O)C1CCC(F)(F)CC1 ZINC000160820067 526753427 /nfs/dbraw/zinc/75/34/27/526753427.db2.gz HMHCYUNITRKIAP-UHFFFAOYSA-N 0 0 269.291 2.834 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCc2occc21 ZINC000299532684 526754540 /nfs/dbraw/zinc/75/45/40/526754540.db2.gz SPGXWXRNQWWRPA-CYBMUJFWSA-N 0 0 286.331 2.862 20 10 CFCDRN 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CCOCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000728180230 574084956 /nfs/dbraw/zinc/08/49/56/574084956.db2.gz SKFTVKPJYUVKKQ-UHFFFAOYSA-N 0 0 292.423 2.918 20 10 CFCDRN C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CCCOC1 ZINC000730803864 574097664 /nfs/dbraw/zinc/09/76/64/574097664.db2.gz PHJRCOAORBNXNV-ZDUSSCGKSA-N 0 0 286.375 2.799 20 10 CFCDRN CSc1cc(O)ccc1NC(=O)c1cccc(O)c1O ZINC000754747706 574117938 /nfs/dbraw/zinc/11/79/38/574117938.db2.gz SYUNCRYEEDPCMC-UHFFFAOYSA-N 0 0 291.328 2.778 20 10 CFCDRN CO[C@@]1(C)C[C@H](N(C)C(=O)C2=CC(=O)CS2)C1(C)C ZINC000754908419 574127209 /nfs/dbraw/zinc/12/72/09/574127209.db2.gz VKAJTUJFWAHPKK-FZMZJTMJSA-N 0 0 283.393 2.729 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731861396 574130746 /nfs/dbraw/zinc/13/07/46/574130746.db2.gz ABEHBYLGYPPFHC-SNVBAGLBSA-N 0 0 261.346 2.987 20 10 CFCDRN O=C(NCCOc1cccc(Cl)c1)C1=CC(=O)CS1 ZINC000731869536 574131491 /nfs/dbraw/zinc/13/14/91/574131491.db2.gz KUGBGGKNXYFGSX-UHFFFAOYSA-N 0 0 297.763 2.916 20 10 CFCDRN 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COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC=CCC2)c1 ZINC000728980352 574143167 /nfs/dbraw/zinc/14/31/67/574143167.db2.gz CHLSPCLDBHCVMT-VXGBXAGGSA-N 0 0 275.348 2.934 20 10 CFCDRN CCCCO[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728981503 574143453 /nfs/dbraw/zinc/14/34/53/574143453.db2.gz BQYOUXRVAYDUPI-NEPJUHHUSA-N 0 0 295.379 2.783 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OCC(C)C)c1 ZINC000728982366 574143568 /nfs/dbraw/zinc/14/35/68/574143568.db2.gz LTDILXJYTGECIJ-NWDGAFQWSA-N 0 0 295.379 2.639 20 10 CFCDRN C[N@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737494729 574145093 /nfs/dbraw/zinc/14/50/93/574145093.db2.gz ZTWDPTGLSADRIU-OAHLLOKOSA-N 0 0 289.306 2.789 20 10 CFCDRN COc1cc(C=C2SC(=S)NC2=O)ccc1SC ZINC000746340633 574146532 /nfs/dbraw/zinc/14/65/32/574146532.db2.gz OINJKXYABCEJDK-UXBLZVDNSA-N 0 0 297.426 2.906 20 10 CFCDRN CN(C)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732265317 574147930 /nfs/dbraw/zinc/14/79/30/574147930.db2.gz UYNDLMDMXQYTGZ-UHFFFAOYSA-N 0 0 262.334 2.772 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Cc1ccc(NC(=O)C2=CC(=O)CS2)c2n[nH]cc21 ZINC000732278899 574150234 /nfs/dbraw/zinc/15/02/34/574150234.db2.gz FFAVMHTYHZQUCS-UHFFFAOYSA-N 0 0 273.317 2.891 20 10 CFCDRN CC(C)CCc1noc(COC(=O)C2=CC(=O)CS2)n1 ZINC000732354063 574153304 /nfs/dbraw/zinc/15/33/04/574153304.db2.gz ZBFQKGVXEXQRBR-UHFFFAOYSA-N 0 0 296.348 2.782 20 10 CFCDRN Cc1ccc(CCC(=O)N(C)Cc2ccccc2O)o1 ZINC000746686743 574162823 /nfs/dbraw/zinc/16/28/23/574162823.db2.gz LYHSESWEWLBOCD-UHFFFAOYSA-N 0 0 273.332 2.885 20 10 CFCDRN C[C@@H]1C[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746722285 574164680 /nfs/dbraw/zinc/16/46/80/574164680.db2.gz RPHGSTMGZZBMBY-DOMZBBRYSA-N 0 0 287.407 2.524 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1C ZINC000738463429 574170427 /nfs/dbraw/zinc/17/04/27/574170427.db2.gz BWKFGQQKMKWCTI-LBPRGKRZSA-N 0 0 277.364 2.694 20 10 CFCDRN CSc1ccc(C(=O)NCc2ccccc2O)o1 ZINC000732827439 574174775 /nfs/dbraw/zinc/17/47/75/574174775.db2.gz FJTBCYDKIUBSJS-UHFFFAOYSA-N 0 0 263.318 2.637 20 10 CFCDRN COc1cccc(CN(C)c2ccc(OC)c(OC)c2)n1 ZINC000733029581 574183559 /nfs/dbraw/zinc/18/35/59/574183559.db2.gz HVPMWLIVGDYKNH-UHFFFAOYSA-N 0 0 288.347 2.744 20 10 CFCDRN CCS[C@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000755831643 574191229 /nfs/dbraw/zinc/19/12/29/574191229.db2.gz HTBOHMWLQSZEOS-ZJUUUORDSA-N 0 0 271.407 2.858 20 10 CFCDRN CCc1cc(N(C)Cc2ccc(N(C)C)cc2)ncn1 ZINC000733185347 574207175 /nfs/dbraw/zinc/20/71/75/574207175.db2.gz SPAPBNWSSUTGKJ-UHFFFAOYSA-N 0 0 270.380 2.741 20 10 CFCDRN CN(C)c1ccc(C[NH2+]CCc2ccccc2C(=O)[O-])cc1 ZINC000756311232 574224593 /nfs/dbraw/zinc/22/45/93/574224593.db2.gz TVNVLAHSGOLQAP-UHFFFAOYSA-N 0 0 298.386 2.783 20 10 CFCDRN COc1cccc(CNC(=S)Nc2ccccc2F)n1 ZINC000748044825 574226563 /nfs/dbraw/zinc/22/65/63/574226563.db2.gz JRSZUDBTGWCOGF-UHFFFAOYSA-N 0 0 291.351 2.716 20 10 CFCDRN COc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000756398079 574233607 /nfs/dbraw/zinc/23/36/07/574233607.db2.gz BKNAFZPQMOISFP-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756399469 574234117 /nfs/dbraw/zinc/23/41/17/574234117.db2.gz PPYWIHRYWRFGAV-ZYHUDNBSSA-N 0 0 280.324 2.520 20 10 CFCDRN Cc1nc(C(C)(C)NCc2cc3c(cc2O)CCC3)no1 ZINC000729852042 574234286 /nfs/dbraw/zinc/23/42/86/574234286.db2.gz XVFMUBPVOCAOEX-UHFFFAOYSA-N 0 0 287.363 2.597 20 10 CFCDRN CCCCSCC(=O)NCc1cccc(OC)c1O ZINC000729859496 574234336 /nfs/dbraw/zinc/23/43/36/574234336.db2.gz SKZIJWYFXYZECI-UHFFFAOYSA-N 0 0 283.393 2.550 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(F)cc(F)c1[O-] ZINC000756455074 574238605 /nfs/dbraw/zinc/23/86/05/574238605.db2.gz IOECCIQQQVDIKD-MWLCHTKSSA-N 0 0 271.307 2.890 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c1 ZINC000756482816 574240202 /nfs/dbraw/zinc/24/02/02/574240202.db2.gz MERCFGKQBFSMIN-GHMZBOCLSA-N 0 0 277.364 2.876 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756492781 574241111 /nfs/dbraw/zinc/24/11/11/574241111.db2.gz AKIKDVUGQPJXMC-GHMZBOCLSA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756525941 574243802 /nfs/dbraw/zinc/24/38/02/574243802.db2.gz DMDHUWXWCFLFDL-SNVBAGLBSA-N 0 0 295.333 2.687 20 10 CFCDRN Cc1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756533602 574244286 /nfs/dbraw/zinc/24/42/86/574244286.db2.gz JQSANWWWLJAXCH-QMMMGPOBSA-N 0 0 293.348 2.916 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000756550430 574246160 /nfs/dbraw/zinc/24/61/60/574246160.db2.gz HPVFGOSXDLBKEL-BXUZGUMPSA-N 0 0 278.371 2.666 20 10 CFCDRN C[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1O ZINC000748347186 574247844 /nfs/dbraw/zinc/24/78/44/574247844.db2.gz YTCVEGHJWBMTDU-NSHDSACASA-N 0 0 289.306 2.615 20 10 CFCDRN O=C(NCc1ccccc1O)C(F)(F)c1ccc(F)cc1 ZINC000748345982 574247894 /nfs/dbraw/zinc/24/78/94/574247894.db2.gz IJEMSAYFUXMPAF-UHFFFAOYSA-N 0 0 295.260 2.940 20 10 CFCDRN CCc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])[nH]n1 ZINC000756571523 574248685 /nfs/dbraw/zinc/24/86/85/574248685.db2.gz FVNCTRKJUMIQQZ-VIFPVBQESA-N 0 0 263.316 2.668 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756574648 574249467 /nfs/dbraw/zinc/24/94/67/574249467.db2.gz FGUHYBHBHBWIDE-PGUXBMHVSA-N 0 0 296.367 2.748 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756579138 574249959 /nfs/dbraw/zinc/24/99/59/574249959.db2.gz ZGWJGZQBKBPNKC-FIXISWKDSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756577926 574250011 /nfs/dbraw/zinc/25/00/11/574250011.db2.gz SQKOOKWNWIHNNC-YMTOWFKASA-N 0 0 273.323 2.728 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCSC)c1 ZINC000756587178 574250373 /nfs/dbraw/zinc/25/03/73/574250373.db2.gz ZLRDOKYFXGKJBL-QWRGUYRKSA-N 0 0 297.420 2.971 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCSC)c1 ZINC000756587182 574250709 /nfs/dbraw/zinc/25/07/09/574250709.db2.gz ZLRDOKYFXGKJBL-WDEREUQCSA-N 0 0 297.420 2.971 20 10 CFCDRN COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000756597016 574251209 /nfs/dbraw/zinc/25/12/09/574251209.db2.gz IZHASJMOQBSENL-BXUZGUMPSA-N 0 0 295.379 2.500 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cc(F)cc(F)c1[O-] ZINC000756605264 574252030 /nfs/dbraw/zinc/25/20/30/574252030.db2.gz RRRZQVOJPHDMCK-LPEHRKFASA-N 0 0 273.323 2.728 20 10 CFCDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756623187 574252316 /nfs/dbraw/zinc/25/23/16/574252316.db2.gz AXFOLJVRVPDNEN-GRYCIOLGSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@@H]([NH2+]CCNc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756613023 574252857 /nfs/dbraw/zinc/25/28/57/574252857.db2.gz YZZPPEOXYCKLRN-SNVBAGLBSA-N 0 0 293.317 2.828 20 10 CFCDRN C[C@H]([NH2+]CCc1ccncc1)c1cc(F)cc(F)c1[O-] ZINC000756657290 574255789 /nfs/dbraw/zinc/25/57/89/574255789.db2.gz DBFPKBWTQFDZPV-JTQLQIEISA-N 0 0 278.302 2.959 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756661116 574256591 /nfs/dbraw/zinc/25/65/91/574256591.db2.gz XUXUHAQQCUAQMP-VIFPVBQESA-N 0 0 291.282 2.685 20 10 CFCDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cnn(C)c1 ZINC000748578735 574258981 /nfs/dbraw/zinc/25/89/81/574258981.db2.gz WFIMMQBEDHUNRC-VGVVRCBHSA-N 0 0 297.358 2.556 20 10 CFCDRN CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756739497 574259907 /nfs/dbraw/zinc/25/99/07/574259907.db2.gz NZRJKMGHYHZXMO-CMPLNLGQSA-N 0 0 282.340 2.502 20 10 CFCDRN CCn1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000756734097 574259944 /nfs/dbraw/zinc/25/99/44/574259944.db2.gz VHJXZXLLYKPOCI-SECBINFHSA-N 0 0 281.306 2.738 20 10 CFCDRN CC(C)=CC(=O)NCCCSc1nccs1 ZINC000733884083 574260271 /nfs/dbraw/zinc/26/02/71/574260271.db2.gz LXQAGQXJHFBFOA-UHFFFAOYSA-N 0 0 256.396 2.708 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ncn1 ZINC000756777123 574262358 /nfs/dbraw/zinc/26/23/58/574262358.db2.gz VEFKZOZYULQEHV-SECBINFHSA-N 0 0 279.290 2.620 20 10 CFCDRN C[C@H]([NH2+]C1(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756838621 574266812 /nfs/dbraw/zinc/26/68/12/574266812.db2.gz OAHZFOOZQFSOLQ-VIFPVBQESA-N 0 0 262.309 2.894 20 10 CFCDRN C1=CCN(c2ccc(CNc3ncnc4[nH]ccc43)cc2)C1 ZINC000740870782 574271574 /nfs/dbraw/zinc/27/15/74/574271574.db2.gz ILJHMZVWLCONBC-UHFFFAOYSA-N 0 0 291.358 2.946 20 10 CFCDRN CC(C)c1cc(CNC(=O)NCc2ccccc2O)on1 ZINC000734069310 574272442 /nfs/dbraw/zinc/27/24/42/574272442.db2.gz PANCRTJTNWLSEZ-UHFFFAOYSA-N 0 0 289.335 2.503 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000734418127 574285776 /nfs/dbraw/zinc/28/57/76/574285776.db2.gz ISDAWPCSVLDFRV-AWEZNQCLSA-N 0 0 297.402 2.958 20 10 CFCDRN CN(C)c1ccc(CNc2ccnc3ccncc32)cc1 ZINC000749255962 574286447 /nfs/dbraw/zinc/28/64/47/574286447.db2.gz JWWBQQNQRMQKNE-UHFFFAOYSA-N 0 0 278.359 2.730 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[C@H]1C ZINC000734521034 574291206 /nfs/dbraw/zinc/29/12/06/574291206.db2.gz NCXYLJRQDGXNCA-RISCZKNCSA-N 0 0 275.396 2.516 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@@H]1C ZINC000734521036 574291480 /nfs/dbraw/zinc/29/14/80/574291480.db2.gz NCXYLJRQDGXNCA-SMDDNHRTSA-N 0 0 275.396 2.516 20 10 CFCDRN CC[C@H](C)NC(=S)NCc1ccc(N(C)C)cc1 ZINC000749765118 574308339 /nfs/dbraw/zinc/30/83/39/574308339.db2.gz YZOITAIZOCOTME-NSHDSACASA-N 0 0 265.426 2.515 20 10 CFCDRN O=[N+]([O-])c1cnccc1NCc1c(O)ccc2c1CCCC2 ZINC000742419743 574329033 /nfs/dbraw/zinc/32/90/33/574329033.db2.gz NGWANTXHIXWXHT-UHFFFAOYSA-N 0 0 299.330 2.608 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)on1 ZINC000742475609 574332014 /nfs/dbraw/zinc/33/20/14/574332014.db2.gz HHFSLFQZKQSXAN-UHFFFAOYSA-N 0 0 299.374 2.903 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)COC ZINC000755761459 574332115 /nfs/dbraw/zinc/33/21/15/574332115.db2.gz CTRYWTKLDVYWBW-CYBMUJFWSA-N 0 0 279.380 2.803 20 10 CFCDRN CC(=O)N(C)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000735703321 574333483 /nfs/dbraw/zinc/33/34/83/574333483.db2.gz IAUARHBLIIYTIK-UHFFFAOYSA-N 0 0 290.344 2.689 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2ccccn2c1 ZINC000735856899 574339276 /nfs/dbraw/zinc/33/92/76/574339276.db2.gz LNSVOWZQWNLOQA-UHFFFAOYSA-N 0 0 266.300 2.575 20 10 CFCDRN COc1ccc(NC(=S)NCc2cccn2C)cc1F ZINC000743061935 574352894 /nfs/dbraw/zinc/35/28/94/574352894.db2.gz RSBAWHYPEBDQIF-UHFFFAOYSA-N 0 0 293.367 2.659 20 10 CFCDRN C[C@H]1C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743536972 574368263 /nfs/dbraw/zinc/36/82/63/574368263.db2.gz PBFLWXOSYXNTJT-AAEUAGOBSA-N 0 0 288.391 2.726 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000743707416 574371148 /nfs/dbraw/zinc/37/11/48/574371148.db2.gz GMBAUAFBGSJBBT-ONGXEEELSA-N 0 0 251.351 2.858 20 10 CFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)Oc1ccc(F)cc1 ZINC000743720853 574371309 /nfs/dbraw/zinc/37/13/09/574371309.db2.gz CNCNAMOPFHWTDG-SECBINFHSA-N 0 0 295.335 2.790 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC2(CCCC2)C1 ZINC000743767067 574371999 /nfs/dbraw/zinc/37/19/99/574371999.db2.gz DIFDVGRUQAKQAQ-UHFFFAOYSA-N 0 0 251.351 2.860 20 10 CFCDRN Cn1cncc1CN(Cc1ccco1)Cc1ccccc1O ZINC000751480684 574377642 /nfs/dbraw/zinc/37/76/42/574377642.db2.gz YTASACJZUZKIGK-UHFFFAOYSA-N 0 0 297.358 2.921 20 10 CFCDRN CS/C=C\C(=O)NCc1ccc2c(c1)CCCN2C ZINC000751572037 574379377 /nfs/dbraw/zinc/37/93/77/574379377.db2.gz FVPIGXPDKGVTDT-CLFYSBASSA-N 0 0 276.405 2.562 20 10 CFCDRN COc1cccc(OCCOC(=O)C2=CC(=O)CS2)c1 ZINC000751716463 574381402 /nfs/dbraw/zinc/38/14/02/574381402.db2.gz XLFPILYORYYNQO-UHFFFAOYSA-N 0 0 294.328 2.698 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC(F)F)cc1 ZINC000752020195 574386772 /nfs/dbraw/zinc/38/67/72/574386772.db2.gz UQSXHSHASMLRID-UHFFFAOYSA-N 0 0 299.365 2.939 20 10 CFCDRN CC(C)(C)[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000753512298 574403632 /nfs/dbraw/zinc/40/36/32/574403632.db2.gz MGTNQGQEMNGATA-VIFPVBQESA-N 0 0 253.367 2.962 20 10 CFCDRN O=C(NCCCNc1ccccc1F)C1=CC(=O)CS1 ZINC000753520921 574403838 /nfs/dbraw/zinc/40/38/38/574403838.db2.gz GDPBXWNDGYPSIW-UHFFFAOYSA-N 0 0 294.351 2.825 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1ccc(N(C)C)cc1 ZINC000753570628 574404909 /nfs/dbraw/zinc/40/49/09/574404909.db2.gz UWHLRIYQMYGZBA-INIZCTEOSA-N 0 0 290.407 2.574 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1C ZINC000820837240 598194011 /nfs/dbraw/zinc/19/40/11/598194011.db2.gz UJWABSHKDVAFRB-UHFFFAOYSA-N 0 0 285.343 2.992 20 10 CFCDRN CCC1(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)COC1 ZINC000935466121 649910622 /nfs/dbraw/zinc/91/06/22/649910622.db2.gz WGFIWWUURDYQML-CYBMUJFWSA-N 0 0 290.407 2.747 20 10 CFCDRN CC[C@H](O)[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000900261496 620655811 /nfs/dbraw/zinc/65/58/11/620655811.db2.gz RZNTYDUEQHJDML-BBRMVZONSA-N 0 0 292.423 2.556 20 10 CFCDRN COc1ccc(CNC(=O)CCC2(C)CC2)c(O)c1 ZINC000935771465 649941739 /nfs/dbraw/zinc/94/17/39/649941739.db2.gz UFEYPXFYGPPODC-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN Cc1ccc(O)c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000251175200 604679651 /nfs/dbraw/zinc/67/96/51/604679651.db2.gz SQHLLKXTWZNWOJ-YUELXQCFSA-N 0 0 289.375 2.918 20 10 CFCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccoc2C(=O)[O-])c1 ZINC000833733886 605127725 /nfs/dbraw/zinc/12/77/25/605127725.db2.gz UWNUPXATWGASKD-SECBINFHSA-N 0 0 291.303 2.543 20 10 CFCDRN C[N@H+](Cc1ccc(NC(=O)[O-])nc1)Cc1ccccc1O ZINC000833874674 605531421 /nfs/dbraw/zinc/53/14/21/605531421.db2.gz VNOUGXVDYBHEGR-UHFFFAOYSA-N 0 0 287.319 2.509 20 10 CFCDRN Cc1cc2c(cc1C)N(C(=O)/C=C/c1cn(C)cn1)CC2 ZINC000935926098 649961682 /nfs/dbraw/zinc/96/16/82/649961682.db2.gz VHQUENLEGAYEDN-SNAWJCMRSA-N 0 0 281.359 2.639 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)[O-])cc1 ZINC000833856513 605850155 /nfs/dbraw/zinc/85/01/55/605850155.db2.gz LCRLONRDGXKTRC-QWHCGFSZSA-N 0 0 293.411 2.840 20 10 CFCDRN O=C([O-])NC1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000834163161 606010552 /nfs/dbraw/zinc/01/05/52/606010552.db2.gz IGOAJAASYROPMI-UHFFFAOYSA-N 0 0 298.770 2.714 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnccc1C ZINC000935947998 649964691 /nfs/dbraw/zinc/96/46/91/649964691.db2.gz JDSOYNCAYANZSB-UHFFFAOYSA-N 0 0 291.347 2.511 20 10 CFCDRN C[C@H](O)c1cccc(NCc2ccc(N(C)C)cc2)n1 ZINC000891578620 617674031 /nfs/dbraw/zinc/67/40/31/617674031.db2.gz MWUWZIQFCYLSBW-LBPRGKRZSA-N 0 0 271.364 2.813 20 10 CFCDRN C[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CCC1=O ZINC000890760398 617837992 /nfs/dbraw/zinc/83/79/92/617837992.db2.gz QSSYECHSDPPMKP-ZJUUUORDSA-N 0 0 295.766 2.667 20 10 CFCDRN CC(C)[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890760536 617838376 /nfs/dbraw/zinc/83/83/76/617838376.db2.gz SKPNPHBALXLJNY-SECBINFHSA-N 0 0 255.745 2.954 20 10 CFCDRN C[C@@H](CC(=O)NCc1cccc(Cl)c1O)n1cccn1 ZINC000890761506 617841247 /nfs/dbraw/zinc/84/12/47/617841247.db2.gz UHYGHEGWKFLZLX-JTQLQIEISA-N 0 0 293.754 2.510 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC000924044693 617918529 /nfs/dbraw/zinc/91/85/29/617918529.db2.gz XDONNLDETAKXLG-RHYQMDGZSA-N 0 0 292.354 2.623 20 10 CFCDRN COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000035402994 617626151 /nfs/dbraw/zinc/62/61/51/617626151.db2.gz OSEQJMTWKHYMAC-JXMROGBWSA-N 0 0 265.359 2.526 20 10 CFCDRN O=C(NCCCSc1nccs1)[C@@H]1C[C@H]1C1CC1 ZINC000176067750 617761234 /nfs/dbraw/zinc/76/12/34/617761234.db2.gz DUWUIBLVGHGGPI-WDEREUQCSA-N 0 0 282.434 2.788 20 10 CFCDRN COc1cccc(CNC(=O)/C=C\c2cccs2)c1O ZINC000255031560 617768490 /nfs/dbraw/zinc/76/84/90/617768490.db2.gz NVCKNQYABKRSSV-FPLPWBNLSA-N 0 0 289.356 2.792 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)c(O)c2)s1 ZINC000901132653 620755096 /nfs/dbraw/zinc/75/50/96/620755096.db2.gz UHBBHGXURFIWAZ-UHFFFAOYSA-N 0 0 291.372 2.635 20 10 CFCDRN COc1ccc(O)c(CNC(=O)/C(F)=C(/C)C2CC2)c1 ZINC000901131927 620755342 /nfs/dbraw/zinc/75/53/42/620755342.db2.gz QIHRFCNORJOWMI-NTEUORMPSA-N 0 0 279.311 2.671 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CC1(Cl)Cl ZINC000890757908 617835959 /nfs/dbraw/zinc/83/59/59/617835959.db2.gz MZDIPSLQEGLHAO-ZETCQYMHSA-N 0 0 294.565 2.856 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000890763619 617844061 /nfs/dbraw/zinc/84/40/61/617844061.db2.gz YZLSYQIEPMJVEA-JWSAXSAHSA-N 0 0 291.778 2.954 20 10 CFCDRN CCCCC(=O)NCc1cc(Br)ccc1O ZINC000804733550 617854857 /nfs/dbraw/zinc/85/48/57/617854857.db2.gz SMSVXSJKWFTITN-UHFFFAOYSA-N 0 0 286.169 2.961 20 10 CFCDRN CC(C)=CC(=O)NCc1cc(Br)ccc1O ZINC000804733755 617855515 /nfs/dbraw/zinc/85/55/15/617855515.db2.gz MSIIGLKVZFQQDP-UHFFFAOYSA-N 0 0 284.153 2.737 20 10 CFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1nccs1 ZINC000042412611 620760360 /nfs/dbraw/zinc/76/03/60/620760360.db2.gz ICIIPOILOQZQSB-UHFFFAOYSA-N 0 0 299.193 2.901 20 10 CFCDRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1F ZINC000255088541 617959051 /nfs/dbraw/zinc/95/90/51/617959051.db2.gz HYCHIABFECOEBB-UXBLZVDNSA-N 0 0 267.350 2.965 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000255112152 617965057 /nfs/dbraw/zinc/96/50/57/617965057.db2.gz JBHCDBPIBBJDRI-GHXNOFRVSA-N 0 0 296.370 2.788 20 10 CFCDRN COc1cc(O)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1OC ZINC000160301241 617965084 /nfs/dbraw/zinc/96/50/84/617965084.db2.gz DOWFYRMGQBGPCF-PHIMTYICSA-N 0 0 297.420 2.735 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000049808555 617973206 /nfs/dbraw/zinc/97/32/06/617973206.db2.gz HYRSVUOIUALHGB-CSKARUKUSA-N 0 0 269.300 2.774 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000177659277 618004480 /nfs/dbraw/zinc/00/44/80/618004480.db2.gz VHEPABWMNLLVAG-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN COC[C@@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000045658273 618047196 /nfs/dbraw/zinc/04/71/96/618047196.db2.gz LNGLENWLGUORHF-VIFPVBQESA-N 0 0 288.185 2.527 20 10 CFCDRN Cc1cc(C(=O)N2CC[C@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000889125781 618054747 /nfs/dbraw/zinc/05/47/47/618054747.db2.gz GPAJTUPITQTRHF-INIZCTEOSA-N 0 0 298.386 2.609 20 10 CFCDRN CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000235054063 618060584 /nfs/dbraw/zinc/06/05/84/618060584.db2.gz LOOXNXWRVLIADI-VXGBXAGGSA-N 0 0 265.382 2.674 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1nccs1 ZINC000048861191 618076647 /nfs/dbraw/zinc/07/66/47/618076647.db2.gz UOUFXVAVRLFKLW-UHFFFAOYSA-N 0 0 263.322 2.513 20 10 CFCDRN Cc1cc(CNCc2ccc3c(c2)CCCN3C)no1 ZINC000050286927 618089747 /nfs/dbraw/zinc/08/97/47/618089747.db2.gz PHDWCYWLUPTOPT-UHFFFAOYSA-N 0 0 271.364 2.655 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000187699545 618146539 /nfs/dbraw/zinc/14/65/39/618146539.db2.gz IBIRGDDLQOLEAZ-RYUDHWBXSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1OC ZINC000891449188 618213947 /nfs/dbraw/zinc/21/39/47/618213947.db2.gz NUFXXLVVPHQMQU-VXGBXAGGSA-N 0 0 279.380 2.887 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CC=CC1 ZINC000935312763 618225353 /nfs/dbraw/zinc/22/53/53/618225353.db2.gz YSWPTCUZEODMJR-NSHDSACASA-N 0 0 275.348 2.501 20 10 CFCDRN Cc1ccc(N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000179469906 618276628 /nfs/dbraw/zinc/27/66/28/618276628.db2.gz BSGSWFRDMKSRRT-UHFFFAOYSA-N 0 0 271.316 2.991 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(O)c1O ZINC000179491996 618279449 /nfs/dbraw/zinc/27/94/49/618279449.db2.gz SHBAKLHAGGUVSA-UKRRQHHQSA-N 0 0 297.354 2.940 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCOCC1 ZINC000310375016 618303974 /nfs/dbraw/zinc/30/39/74/618303974.db2.gz ZHPOLIAHUNFQRR-NSHDSACASA-N 0 0 255.745 2.704 20 10 CFCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nccs1 ZINC000179510202 618316919 /nfs/dbraw/zinc/31/69/19/618316919.db2.gz BTRZFBLTJYVRJX-JTQLQIEISA-N 0 0 292.360 2.744 20 10 CFCDRN CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O ZINC000179535617 618325475 /nfs/dbraw/zinc/32/54/75/618325475.db2.gz RTVJEMYYMBSIAU-NEPJUHHUSA-N 0 0 295.404 2.810 20 10 CFCDRN CN(CC(=O)NC1CCCCCC1)c1ccc(N)cc1 ZINC000053341615 618329320 /nfs/dbraw/zinc/32/93/20/618329320.db2.gz UXSSCUSWRNHHDD-UHFFFAOYSA-N 0 0 275.396 2.544 20 10 CFCDRN COCc1ccnc(NCc2cc(C)cc(OC)c2O)c1 ZINC000895149703 618391528 /nfs/dbraw/zinc/39/15/28/618391528.db2.gz AAIDWNQAJXPJNO-UHFFFAOYSA-N 0 0 288.347 2.863 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](CCF)C1 ZINC000855828179 618414719 /nfs/dbraw/zinc/41/47/19/618414719.db2.gz IWOBBHDQQZWNKV-VIFPVBQESA-N 0 0 257.330 2.666 20 10 CFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000078005172 618418365 /nfs/dbraw/zinc/41/83/65/618418365.db2.gz VFFSJCUBQYMEOE-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(N)cc1 ZINC000237083015 618422430 /nfs/dbraw/zinc/42/24/30/618422430.db2.gz FENXOJVSADBVQW-UHFFFAOYSA-N 0 0 297.402 2.502 20 10 CFCDRN COc1ccc(C[NH2+]Cc2cnc(F)cc2C)c(O)c1 ZINC000894185591 618432666 /nfs/dbraw/zinc/43/26/66/618432666.db2.gz QICINALUVVJHSL-UHFFFAOYSA-N 0 0 276.311 2.533 20 10 CFCDRN CCOC(=O)CN(CC)Cc1c(O)cc(C)cc1Cl ZINC000840911698 618439733 /nfs/dbraw/zinc/43/97/33/618439733.db2.gz NDIPBMTXZWUDKF-UHFFFAOYSA-N 0 0 285.771 2.739 20 10 CFCDRN O=C(NC1(c2ccccc2)CCC1)c1cccc(O)c1O ZINC000192993452 618446620 /nfs/dbraw/zinc/44/66/20/618446620.db2.gz LBDUTWHXYJAORQ-UHFFFAOYSA-N 0 0 283.327 2.907 20 10 CFCDRN COc1ccc(N(C)Cc2cccnc2OC)cc1F ZINC000193388668 618460039 /nfs/dbraw/zinc/46/00/39/618460039.db2.gz XMQFAMSWZSARPJ-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN COc1cc(C)cc(CN2c3ccccc3C[C@@H]2CO)c1O ZINC000895241642 618493170 /nfs/dbraw/zinc/49/31/70/618493170.db2.gz OMHAZNCEUBQLOF-OAHLLOKOSA-N 0 0 299.370 2.633 20 10 CFCDRN Cn1cc(C=C2SC(=S)NC2=O)c(C2CCCC2)n1 ZINC000901415852 620811808 /nfs/dbraw/zinc/81/18/08/620811808.db2.gz AUVYJLYDMMWEDA-POHAHGRESA-N 0 0 293.417 2.567 20 10 CFCDRN CN(C)c1ccc(CN2CC[C@H]2C(F)F)cc1F ZINC000895430720 618578807 /nfs/dbraw/zinc/57/88/07/618578807.db2.gz HCLDNDSTOGVYPL-LBPRGKRZSA-N 0 0 258.287 2.731 20 10 CFCDRN CC(C)c1c[nH]c(CN2Cc3cccc(O)c3C2)n1 ZINC000895449685 618592480 /nfs/dbraw/zinc/59/24/80/618592480.db2.gz NXXDXTFCJLKSHV-UHFFFAOYSA-N 0 0 257.337 2.755 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cn1 ZINC000935944690 618713543 /nfs/dbraw/zinc/71/35/43/618713543.db2.gz YSESIAQARRAVJC-UHFFFAOYSA-N 0 0 291.347 2.511 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(C)c1 ZINC000935945975 618714735 /nfs/dbraw/zinc/71/47/35/618714735.db2.gz RKPKVUZGBLMJQV-UHFFFAOYSA-N 0 0 291.347 2.511 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840895127 618769335 /nfs/dbraw/zinc/76/93/35/618769335.db2.gz XPAPSNWVXNDBNZ-SDDRHHMPSA-N 0 0 294.351 2.502 20 10 CFCDRN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000182406070 625295544 /nfs/dbraw/zinc/29/55/44/625295544.db2.gz UJAFMWYAHYYBOC-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2ccc(F)cc21 ZINC000180994277 618870736 /nfs/dbraw/zinc/87/07/36/618870736.db2.gz HPEOJBNCDYQTOJ-QHHAFSJGSA-N 0 0 299.301 2.839 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(-c3ccco3)o2)c1 ZINC000181486453 618879071 /nfs/dbraw/zinc/87/90/71/618879071.db2.gz RVVHZXIPENJYNN-UHFFFAOYSA-N 0 0 271.276 2.956 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2noc(C3CC3)n2)c1 ZINC000182320980 618893855 /nfs/dbraw/zinc/89/38/55/618893855.db2.gz OWDARBMQOCJLNG-VIFPVBQESA-N 0 0 289.335 2.512 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc(C)o2)c1 ZINC000182411705 618895369 /nfs/dbraw/zinc/89/53/69/618895369.db2.gz AJCCIXLXPRIYGV-IUCAKERBSA-N 0 0 277.324 2.504 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1 ZINC000182530263 618897720 /nfs/dbraw/zinc/89/77/20/618897720.db2.gz QTDHQPKIZKFKBL-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN Cc1ccc(C(=O)Nc2ccc(O)cc2C)c(O)c1O ZINC000182859914 618901117 /nfs/dbraw/zinc/90/11/17/618901117.db2.gz PIMLKNMLDRONOH-UHFFFAOYSA-N 0 0 273.288 2.673 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCCOC2)cc1 ZINC000195109207 618946298 /nfs/dbraw/zinc/94/62/98/618946298.db2.gz WJGQVTMHTCERMP-HNNXBMFYSA-N 0 0 290.407 2.528 20 10 CFCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1 ZINC000195454835 618951135 /nfs/dbraw/zinc/95/11/35/618951135.db2.gz FJAUNPAALDTZAN-JTQLQIEISA-N 0 0 288.303 2.857 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CSC)c1 ZINC000077799409 619027351 /nfs/dbraw/zinc/02/73/51/619027351.db2.gz ACKRZIDFDGVRFA-NXEZZACHSA-N 0 0 298.408 2.513 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CSC)c1 ZINC000077799405 619027505 /nfs/dbraw/zinc/02/75/05/619027505.db2.gz ACKRZIDFDGVRFA-ZJUUUORDSA-N 0 0 298.408 2.513 20 10 CFCDRN C[C@H](NCc1ncn(C)n1)c1ccc2ccccc2c1O ZINC000186214352 619071592 /nfs/dbraw/zinc/07/15/92/619071592.db2.gz JEPBVKXNBACIDD-NSHDSACASA-N 0 0 282.347 2.525 20 10 CFCDRN CCc1cnccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000182498275 625314971 /nfs/dbraw/zinc/31/49/71/625314971.db2.gz IOYHGPKGVKKBMZ-UHFFFAOYSA-N 0 0 297.402 2.982 20 10 CFCDRN N#Cc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000225852344 619146539 /nfs/dbraw/zinc/14/65/39/619146539.db2.gz RXDQAQUNDHBCJW-ALCCZGGFSA-N 0 0 280.283 2.621 20 10 CFCDRN CCN(C)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000747804218 619281644 /nfs/dbraw/zinc/28/16/44/619281644.db2.gz DFBMLTCVDIAEOU-UHFFFAOYSA-N 0 0 294.354 2.939 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)c[nH]1 ZINC000048606754 619360354 /nfs/dbraw/zinc/36/03/54/619360354.db2.gz PRFRDUKJFFIWPO-UHFFFAOYSA-N 0 0 264.712 2.646 20 10 CFCDRN COc1cc(C)cc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000894476241 619395941 /nfs/dbraw/zinc/39/59/41/619395941.db2.gz WAVHNDKRPYAQGC-ZDUSSCGKSA-N 0 0 291.347 2.516 20 10 CFCDRN COc1cc(C)cc(CNc2cccc(CO)c2)c1O ZINC000894533334 619411472 /nfs/dbraw/zinc/41/14/72/619411472.db2.gz IDAUHTDTGATXSS-UHFFFAOYSA-N 0 0 273.332 2.814 20 10 CFCDRN CN(C)c1ccc(/C=C/CN(C)Cc2ncc[nH]2)cc1 ZINC000894586872 619424913 /nfs/dbraw/zinc/42/49/13/619424913.db2.gz KHGPGDPRRPCZQO-SNAWJCMRSA-N 0 0 270.380 2.621 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)c1OC ZINC000894658452 619434840 /nfs/dbraw/zinc/43/48/40/619434840.db2.gz IARXTYVBNIZYPU-OAHLLOKOSA-N 0 0 283.343 2.733 20 10 CFCDRN C[C@H](CO)[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CCC1 ZINC000894688012 619443328 /nfs/dbraw/zinc/44/33/28/619443328.db2.gz YCIWYGRFYREGEW-SNVBAGLBSA-N 0 0 285.334 2.653 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC23CCC(CC2)C3)cc1 ZINC000841863762 619449125 /nfs/dbraw/zinc/44/91/25/619449125.db2.gz FAUIYBKRAPHGDW-UHFFFAOYSA-N 0 0 287.407 2.691 20 10 CFCDRN COc1cc(C)cc(CN[C@@H]2CCCC2(F)F)c1O ZINC000894783840 619466708 /nfs/dbraw/zinc/46/67/08/619466708.db2.gz BOMUMGSJUNNNSH-GFCCVEGCSA-N 0 0 271.307 2.987 20 10 CFCDRN CCn1ncc(NCc2cc(C)cc(OC)c2O)c1C ZINC000895476835 619538517 /nfs/dbraw/zinc/53/85/17/619538517.db2.gz BRCNJAYMFQJLDP-UHFFFAOYSA-N 0 0 275.352 2.846 20 10 CFCDRN CN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000895674875 619579554 /nfs/dbraw/zinc/57/95/54/619579554.db2.gz HVTIWQKUMPASPP-UHFFFAOYSA-N 0 0 263.318 2.547 20 10 CFCDRN C[C@]1(Br)C[C@@H]1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000895786070 619606662 /nfs/dbraw/zinc/60/66/62/619606662.db2.gz WXKRQUKEDFYQSF-MFKMUULPSA-N 0 0 282.181 2.881 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc(F)c1F ZINC000895841345 619616532 /nfs/dbraw/zinc/61/65/32/619616532.db2.gz BSNIVBMPHRVPDT-GWCFXTLKSA-N 0 0 283.318 2.671 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2CCC=CCC2)ccc1[N+](=O)[O-] ZINC000895895405 619627635 /nfs/dbraw/zinc/62/76/35/619627635.db2.gz ZDPQZYSFHSGTFZ-UHFFFAOYSA-N 0 0 292.335 2.897 20 10 CFCDRN CC(C)(F)CNC(=O)NCc1cccc(Cl)c1O ZINC000896078403 619665325 /nfs/dbraw/zinc/66/53/25/619665325.db2.gz KJFQDBFBHQHFHL-UHFFFAOYSA-N 0 0 274.723 2.593 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CC12CCC2 ZINC000896319378 619717307 /nfs/dbraw/zinc/71/73/07/619717307.db2.gz SDWWEKJPCXPOFU-NSHDSACASA-N 0 0 280.755 2.787 20 10 CFCDRN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000896578239 619766132 /nfs/dbraw/zinc/76/61/32/619766132.db2.gz HHCSXPLQVMBXIF-NSHDSACASA-N 0 0 284.350 2.642 20 10 CFCDRN CO[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896636190 619779532 /nfs/dbraw/zinc/77/95/32/619779532.db2.gz ABGBXRRUIWCFLH-QWRGUYRKSA-N 0 0 253.317 2.579 20 10 CFCDRN CC[C@H]1C[C@@H](C[NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896636217 619779551 /nfs/dbraw/zinc/77/95/51/619779551.db2.gz AOEZAGPMZPOESJ-RYUDHWBXSA-N 0 0 267.344 2.826 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)C[C@H](C)O1 ZINC000896636299 619779959 /nfs/dbraw/zinc/77/99/59/619779959.db2.gz AMRCIIDZPCVXJA-JGPRNRPPSA-N 0 0 253.317 2.577 20 10 CFCDRN COC(=O)c1cc(C[NH2+]Cc2c([O-])cccc2F)c(C)o1 ZINC000896637995 619780409 /nfs/dbraw/zinc/78/04/09/619780409.db2.gz MXICNVBWTNPWBV-UHFFFAOYSA-N 0 0 293.294 2.509 20 10 CFCDRN CC(C)n1cc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896639127 619780965 /nfs/dbraw/zinc/78/09/65/619780965.db2.gz AQUAUCJUEWCRSN-UHFFFAOYSA-N 0 0 263.316 2.599 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000896638291 619780976 /nfs/dbraw/zinc/78/09/76/619780976.db2.gz ABSALHUHGCGVEZ-LKTVYLICSA-N 0 0 277.339 2.579 20 10 CFCDRN CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3c([O-])cccc3F)C[C@H]2C1 ZINC000896639578 619781352 /nfs/dbraw/zinc/78/13/52/619781352.db2.gz WRWLOBUKMKQYLP-PPANGVADSA-N 0 0 279.355 2.825 20 10 CFCDRN CCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)c(O)c1 ZINC000896641112 619781412 /nfs/dbraw/zinc/78/14/12/619781412.db2.gz PQVDXEYZVHBSOG-UHFFFAOYSA-N 0 0 291.322 2.925 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000896641959 619781963 /nfs/dbraw/zinc/78/19/63/619781963.db2.gz PACJVURHKKPVNW-UHFFFAOYSA-N 0 0 289.354 2.818 20 10 CFCDRN CCOc1ccc(CN2CCn3cccc3C2)c(O)c1 ZINC000896759733 619807698 /nfs/dbraw/zinc/80/76/98/619807698.db2.gz DNWXXRDFZKMRAN-UHFFFAOYSA-N 0 0 272.348 2.608 20 10 CFCDRN Cc1ccc(NCC[NH2+]Cc2cccc(Cl)c2[O-])nc1 ZINC000897182091 619945931 /nfs/dbraw/zinc/94/59/31/619945931.db2.gz SWKIHLGINFQUQI-UHFFFAOYSA-N 0 0 291.782 2.951 20 10 CFCDRN CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796846702 619951107 /nfs/dbraw/zinc/95/11/07/619951107.db2.gz IQNWVPOWRLFHCV-ONGXEEELSA-N 0 0 295.276 2.885 20 10 CFCDRN CC(=O)CCC(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928705879 619995458 /nfs/dbraw/zinc/99/54/58/619995458.db2.gz OQDBTINBUAMPDZ-UHFFFAOYSA-N 0 0 281.327 2.543 20 10 CFCDRN CC(C)(C)c1cc(C(=O)NCc2c(O)cccc2F)no1 ZINC000928705352 619995481 /nfs/dbraw/zinc/99/54/81/619995481.db2.gz KACWJUMOYRFZLI-UHFFFAOYSA-N 0 0 292.310 2.747 20 10 CFCDRN O=C(CCCC1CCOCC1)NCc1c(O)cccc1F ZINC000928708779 619996570 /nfs/dbraw/zinc/99/65/70/619996570.db2.gz UADNAKPDMOCAPW-UHFFFAOYSA-N 0 0 295.354 2.744 20 10 CFCDRN COCC1(C(=O)NCc2c(O)cccc2F)CCCCC1 ZINC000928712828 619997139 /nfs/dbraw/zinc/99/71/39/619997139.db2.gz VQTIPQXYTVHINA-UHFFFAOYSA-N 0 0 295.354 2.744 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H](C)CC(F)(F)F)c(O)c1O ZINC000840517092 620040285 /nfs/dbraw/zinc/04/02/85/620040285.db2.gz KRDBCDVQQAWLJW-ZETCQYMHSA-N 0 0 291.269 2.725 20 10 CFCDRN CCC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000840996818 620109756 /nfs/dbraw/zinc/10/97/56/620109756.db2.gz BPAAPZONTFMZPN-ZQMJAJRESA-N 0 0 276.380 2.609 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC000897438002 620171207 /nfs/dbraw/zinc/17/12/07/620171207.db2.gz RRSAPRWCOJMUAS-UHFFFAOYSA-N 0 0 294.351 2.835 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCOC2)cc1 ZINC000179178920 620213269 /nfs/dbraw/zinc/21/32/69/620213269.db2.gz KFZVYCGBMSNBLT-HNNXBMFYSA-N 0 0 284.359 2.613 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@]23C[C@H]2COC32CCC2)ccc(F)c1F ZINC000898061201 620329572 /nfs/dbraw/zinc/32/95/72/620329572.db2.gz AHHNMJWNFSUPOY-XHDPSFHLSA-N 0 0 295.329 2.719 20 10 CFCDRN Cc1ccc(O)c(CNc2ccnn2[C@@H]2CCCOC2)c1 ZINC000898095371 620332388 /nfs/dbraw/zinc/33/23/88/620332388.db2.gz QWWYPKDDYUUBAP-CQSZACIVSA-N 0 0 287.363 2.861 20 10 CFCDRN C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219146 620347027 /nfs/dbraw/zinc/34/70/27/620347027.db2.gz VOEMSZMNEYLBIE-NSHDSACASA-N 0 0 279.771 2.811 20 10 CFCDRN C[C@H](Cc1cccnc1)NC(=O)N[C@H](C)c1ccccc1O ZINC000898311505 620371326 /nfs/dbraw/zinc/37/13/26/620371326.db2.gz WREPUFWYLAXAEA-CHWSQXEVSA-N 0 0 299.374 2.779 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898379038 620377057 /nfs/dbraw/zinc/37/70/57/620377057.db2.gz CBHYUUSKHJJOBQ-MFKMUULPSA-N 0 0 285.746 2.699 20 10 CFCDRN CCC[C@H](O)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000927019203 620440229 /nfs/dbraw/zinc/44/02/29/620440229.db2.gz CXMSOCWTLCMSGT-MNOVXSKESA-N 0 0 255.333 2.733 20 10 CFCDRN CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000927020364 620440718 /nfs/dbraw/zinc/44/07/18/620440718.db2.gz XKMWJZYABISFDV-MWLCHTKSSA-N 0 0 273.323 2.872 20 10 CFCDRN CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000927082566 620450269 /nfs/dbraw/zinc/45/02/69/620450269.db2.gz XUZFLXQDFRGTQJ-BXUZGUMPSA-N 0 0 299.798 2.892 20 10 CFCDRN C[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)c1ccccc1O ZINC000899181658 620528389 /nfs/dbraw/zinc/52/83/89/620528389.db2.gz JJWYMYCHPXUQRL-NWDGAFQWSA-N 0 0 277.364 2.775 20 10 CFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](CF)C1 ZINC000899206595 620531408 /nfs/dbraw/zinc/53/14/08/620531408.db2.gz SEXUOLCZEZPMTC-MRVPVSSYSA-N 0 0 295.335 2.744 20 10 CFCDRN CCOc1ccc(CNc2ccnc(C)n2)c(O)c1 ZINC000902124106 620983743 /nfs/dbraw/zinc/98/37/43/620983743.db2.gz AYCMRXRDZXJGAG-UHFFFAOYSA-N 0 0 259.309 2.501 20 10 CFCDRN c1nnsc1COc1ccc(N2CCCC2)cc1 ZINC000902283714 621014245 /nfs/dbraw/zinc/01/42/45/621014245.db2.gz OSQRUIONRQWYSY-UHFFFAOYSA-N 0 0 261.350 2.717 20 10 CFCDRN Nc1ccc(COc2ccc(N3CCCC3)cc2)cn1 ZINC000902283984 621014415 /nfs/dbraw/zinc/01/44/15/621014415.db2.gz SNDFWPWYKQRNRV-UHFFFAOYSA-N 0 0 269.348 2.843 20 10 CFCDRN C[C@H]([NH2+]CCCON)c1ccc(Cl)c(Cl)c1[O-] ZINC000902422214 621073732 /nfs/dbraw/zinc/07/37/32/621073732.db2.gz DPETWWSUACXDOK-ZETCQYMHSA-N 0 0 279.167 2.630 20 10 CFCDRN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(Cl)ccc1O ZINC000902468926 621100512 /nfs/dbraw/zinc/10/05/12/621100512.db2.gz YJDSLANESLAMJD-VZZFWQQMSA-N 0 0 280.799 2.979 20 10 CFCDRN CO[C@]1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCSC1 ZINC000903316965 621330154 /nfs/dbraw/zinc/33/01/54/621330154.db2.gz RGLQMGVACVNHFK-HZMBPMFUSA-N 0 0 285.384 2.704 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccs1 ZINC000183426151 625488530 /nfs/dbraw/zinc/48/85/30/625488530.db2.gz XJASAFHRMMNRTD-SECBINFHSA-N 0 0 277.345 2.520 20 10 CFCDRN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000904462284 621597007 /nfs/dbraw/zinc/59/70/07/621597007.db2.gz TVYQNQLUBQLWHU-GDBMZVCRSA-N 0 0 288.778 2.760 20 10 CFCDRN C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)C=CCC1 ZINC000904503449 621602614 /nfs/dbraw/zinc/60/26/14/621602614.db2.gz HMRVBWQFKQTDPT-OAHLLOKOSA-N 0 0 255.321 2.850 20 10 CFCDRN C[C@H]1C[C@H]1c1nnc(NCc2cc(F)cc(F)c2O)o1 ZINC000905417668 621764315 /nfs/dbraw/zinc/76/43/15/621764315.db2.gz CLEVBSZCQQHJDL-IMTBSYHQSA-N 0 0 281.262 2.789 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000832835207 625531654 /nfs/dbraw/zinc/53/16/54/625531654.db2.gz SCBGZSFUDIMBJK-NSHDSACASA-N 0 0 253.367 2.960 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000906626047 622025775 /nfs/dbraw/zinc/02/57/75/622025775.db2.gz CXOHLSVSGLFCDX-AEGPPILISA-N 0 0 258.365 2.711 20 10 CFCDRN CC(C)Cc1ncc(C(=O)NCc2ccc(N)cc2)s1 ZINC000906628230 622026195 /nfs/dbraw/zinc/02/61/95/622026195.db2.gz RMBMBGQYTAGLDH-UHFFFAOYSA-N 0 0 289.404 2.854 20 10 CFCDRN Cn1cc(C(=O)NCc2ccccc2O)c(C2CCCC2)n1 ZINC000907057813 622081603 /nfs/dbraw/zinc/08/16/03/622081603.db2.gz YJWXKBUYYOAASW-UHFFFAOYSA-N 0 0 299.374 2.713 20 10 CFCDRN COc1cccc(CNC(=O)C2(C3CC3)CCC2)c1O ZINC000907059338 622081794 /nfs/dbraw/zinc/08/17/94/622081794.db2.gz BAGDMCLNFVMDLF-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN COc1ccc(CNC(=O)/C(F)=C(\C)C2CC2)c(O)c1 ZINC000907927058 622174218 /nfs/dbraw/zinc/17/42/18/622174218.db2.gz SIQPOBHRHWLROH-ZROIWOOFSA-N 0 0 279.311 2.671 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)OCC1CC1 ZINC000908326720 622220079 /nfs/dbraw/zinc/22/00/79/622220079.db2.gz CSTDIIZIAUKLBI-UHFFFAOYSA-N 0 0 255.701 2.682 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000910950065 622488688 /nfs/dbraw/zinc/48/86/88/622488688.db2.gz BHOYMAKZMXSRSL-HOCLYGCPSA-N 0 0 297.354 2.593 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000910950064 622488841 /nfs/dbraw/zinc/48/88/41/622488841.db2.gz BHOYMAKZMXSRSL-GOEBONIOSA-N 0 0 297.354 2.593 20 10 CFCDRN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(O)cc2O)C1(C)C ZINC000910951415 622489125 /nfs/dbraw/zinc/48/91/25/622489125.db2.gz IRKSXOMSOPWPRT-ZFWWWQNUSA-N 0 0 289.375 2.952 20 10 CFCDRN O=C(CCCc1ccsc1)NCc1ccc(O)cc1O ZINC000910950265 622489333 /nfs/dbraw/zinc/48/93/33/622489333.db2.gz UXDMNMCRRHAFKT-UHFFFAOYSA-N 0 0 291.372 2.798 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000910951229 622489451 /nfs/dbraw/zinc/48/94/51/622489451.db2.gz PMJFIPQVTYYDFZ-HUUCEWRRSA-N 0 0 289.375 2.930 20 10 CFCDRN CC1=CC[C@](C)(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944113 622491181 /nfs/dbraw/zinc/49/11/81/622491181.db2.gz RRAUNNWUUQQYBH-INIZCTEOSA-N 0 0 275.348 2.851 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1(C2CCC2)CCC1 ZINC000910945757 622491677 /nfs/dbraw/zinc/49/16/77/622491677.db2.gz XXFFILNDQOSNDA-UHFFFAOYSA-N 0 0 275.348 2.684 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCCC1(F)F ZINC000910944550 622491770 /nfs/dbraw/zinc/49/17/70/622491770.db2.gz OAKBUXZOPYYAJZ-LLVKDONJSA-N 0 0 285.290 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000910944875 622491875 /nfs/dbraw/zinc/49/18/75/622491875.db2.gz YBTADNCCLRPZCP-ZIAGYGMSSA-N 0 0 289.375 2.930 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C[C@H]1C ZINC000910944937 622491906 /nfs/dbraw/zinc/49/19/06/622491906.db2.gz PYRZSEZDRIKZSY-UTUOFQBUSA-N 0 0 277.364 2.786 20 10 CFCDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910946395 622491961 /nfs/dbraw/zinc/49/19/61/622491961.db2.gz NVELQUIYBVHYMA-SMDDNHRTSA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCC(F)(F)C1 ZINC000910946804 622492286 /nfs/dbraw/zinc/49/22/86/622492286.db2.gz VFNOGDUEMGIKDF-VIFPVBQESA-N 0 0 285.290 2.540 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000911661880 622532299 /nfs/dbraw/zinc/53/22/99/622532299.db2.gz ZDHBQZMFJAKZMB-QWRGUYRKSA-N 0 0 288.269 2.707 20 10 CFCDRN Cc1cc(C)c(C(=O)NCCc2ccc(N)cc2)c(C)n1 ZINC000911783839 622552212 /nfs/dbraw/zinc/55/22/12/622552212.db2.gz ZKZAKCCDEOGTGT-UHFFFAOYSA-N 0 0 283.375 2.562 20 10 CFCDRN CCN(C(=O)c1ccnc2c1CCN2)c1ccccc1C ZINC000911947674 622585778 /nfs/dbraw/zinc/58/57/78/622585778.db2.gz MORIZZGKWXEBCL-UHFFFAOYSA-N 0 0 281.359 2.564 20 10 CFCDRN CC(C)Cc1c[nH]c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000840401234 622603522 /nfs/dbraw/zinc/60/35/22/622603522.db2.gz BVPURNNKAADULF-UHFFFAOYSA-N 0 0 288.347 2.554 20 10 CFCDRN CCCCCCO[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000840401359 622606324 /nfs/dbraw/zinc/60/63/24/622606324.db2.gz CSPPDQBUFRPPOA-LBPRGKRZSA-N 0 0 295.379 2.699 20 10 CFCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1 ZINC000184259056 625585337 /nfs/dbraw/zinc/58/53/37/625585337.db2.gz YFXZMQMSJKYJFF-UHFFFAOYSA-N 0 0 271.320 2.760 20 10 CFCDRN CC[C@@H](CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000841820096 622689163 /nfs/dbraw/zinc/68/91/63/622689163.db2.gz MJQAPQXIRMPPNQ-ZDUSSCGKSA-N 0 0 265.353 2.594 20 10 CFCDRN CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000820746116 622749223 /nfs/dbraw/zinc/74/92/23/622749223.db2.gz QYAFNMKKTCOWQQ-SNVBAGLBSA-N 0 0 274.324 2.721 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000821435737 622922791 /nfs/dbraw/zinc/92/27/91/622922791.db2.gz CPHCUAWOESCEMW-GFCCVEGCSA-N 0 0 286.335 2.721 20 10 CFCDRN C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1F ZINC000821761356 622971872 /nfs/dbraw/zinc/97/18/72/622971872.db2.gz SLQNQIBGJKDUOH-JOYOIKCWSA-N 0 0 292.314 2.669 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC2)cc1 ZINC000056330702 622979600 /nfs/dbraw/zinc/97/96/00/622979600.db2.gz SKHCGJXCWAFRLO-UHFFFAOYSA-N 0 0 275.396 2.838 20 10 CFCDRN CC(C)=C(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000821806397 622980735 /nfs/dbraw/zinc/98/07/35/622980735.db2.gz BIAVAKKONCTQJQ-LBPRGKRZSA-N 0 0 277.364 2.891 20 10 CFCDRN C[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCCS1 ZINC000157010135 622984687 /nfs/dbraw/zinc/98/46/87/622984687.db2.gz RZNOCSMHIXYTSD-ZDUSSCGKSA-N 0 0 265.382 2.676 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ncccc1F ZINC000821842793 622991635 /nfs/dbraw/zinc/99/16/35/622991635.db2.gz OFGHBQCPZUXHAY-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000224858915 623018013 /nfs/dbraw/zinc/01/80/13/623018013.db2.gz CDPNDZMMHHNOJZ-GFCCVEGCSA-N 0 0 283.780 2.930 20 10 CFCDRN C[C@@H](NC(=O)c1cc(Cl)no1)c1ccc(N(C)C)cc1 ZINC000822081150 623030123 /nfs/dbraw/zinc/03/01/23/623030123.db2.gz CEUPWIYBCKJFNE-SECBINFHSA-N 0 0 293.754 2.885 20 10 CFCDRN O=C(Nc1cccnc1N1CCCC1)C1=CC(=O)CS1 ZINC000822121619 623042855 /nfs/dbraw/zinc/04/28/55/623042855.db2.gz FWRYMGHIXFSIIH-UHFFFAOYSA-N 0 0 289.360 2.701 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)o1 ZINC000225897966 623051255 /nfs/dbraw/zinc/05/12/55/623051255.db2.gz JPZABYLDCPCLCC-UHFFFAOYSA-N 0 0 265.696 2.911 20 10 CFCDRN C[C@@]1([NH2+]Cc2cccc(Cl)c2[O-])CCCOC1 ZINC000225931840 623052247 /nfs/dbraw/zinc/05/22/47/623052247.db2.gz FBFPTMLYFMRIFR-CYBMUJFWSA-N 0 0 255.745 2.704 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000822227196 623060286 /nfs/dbraw/zinc/06/02/86/623060286.db2.gz YUKLSDMGSYPNEE-VXGBXAGGSA-N 0 0 286.297 2.567 20 10 CFCDRN OCCc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226581036 623083301 /nfs/dbraw/zinc/08/33/01/623083301.db2.gz DIYIKJBVMSOCMC-UHFFFAOYSA-N 0 0 261.296 2.678 20 10 CFCDRN Cc1cccc(CNc2ccc3c(c2)NC(=O)CO3)c1O ZINC000158115957 623096271 /nfs/dbraw/zinc/09/62/71/623096271.db2.gz CUQNAFSLRSUMIL-UHFFFAOYSA-N 0 0 284.315 2.644 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000227535394 623111703 /nfs/dbraw/zinc/11/17/03/623111703.db2.gz OJJXXHIYISDEGM-MNOVXSKESA-N 0 0 263.337 2.796 20 10 CFCDRN CCn1nc(C)c(CNCc2cc(Cl)cc(C)c2O)n1 ZINC000822494950 623116327 /nfs/dbraw/zinc/11/63/27/623116327.db2.gz ZRZGZUGLUKYKPM-UHFFFAOYSA-N 0 0 294.786 2.564 20 10 CFCDRN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3O)nc2c1 ZINC000228427132 623143502 /nfs/dbraw/zinc/14/35/02/623143502.db2.gz GMYCZLYQTNCTKT-UHFFFAOYSA-N 0 0 284.275 2.789 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000822861547 623190612 /nfs/dbraw/zinc/19/06/12/623190612.db2.gz BBTMTSZWMWAFPI-VXGBXAGGSA-N 0 0 264.344 2.554 20 10 CFCDRN CC1(C)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000822922622 623203679 /nfs/dbraw/zinc/20/36/79/623203679.db2.gz PVVHKXFRCHYDOV-LLVKDONJSA-N 0 0 274.324 2.767 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000823039884 623223079 /nfs/dbraw/zinc/22/30/79/623223079.db2.gz VMMVHHDIGPCMSU-LBPRGKRZSA-N 0 0 298.333 2.825 20 10 CFCDRN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000230153207 623255789 /nfs/dbraw/zinc/25/57/89/623255789.db2.gz JOKNVXNVOHEZOE-RNCFNFMXSA-N 0 0 255.745 2.703 20 10 CFCDRN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000230672462 623289354 /nfs/dbraw/zinc/28/93/54/623289354.db2.gz ITXVHBWAFGIBLX-GHMZBOCLSA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1[O-] ZINC000062745047 623293895 /nfs/dbraw/zinc/29/38/95/623293895.db2.gz AQYDCJRDHSSKQV-GFCCVEGCSA-N 0 0 266.360 2.668 20 10 CFCDRN CN(C)c1ccc(CN(C)Cn2cc[nH]c2=S)cc1 ZINC000173295186 623341544 /nfs/dbraw/zinc/34/15/44/623341544.db2.gz KOESTWYIBCQAFC-UHFFFAOYSA-N 0 0 276.409 2.701 20 10 CFCDRN CCON(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840481750 623369448 /nfs/dbraw/zinc/36/94/48/623369448.db2.gz MUWQHZPLCKPDHF-ZDUSSCGKSA-N 0 0 293.411 2.585 20 10 CFCDRN CCN(CC)c1ccc(CNCc2ccno2)cc1 ZINC000231883392 623373130 /nfs/dbraw/zinc/37/31/30/623373130.db2.gz SLUJNVUJBNCIMS-UHFFFAOYSA-N 0 0 259.353 2.811 20 10 CFCDRN C[C@@H]1[C@H](C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000823689217 623377433 /nfs/dbraw/zinc/37/74/33/623377433.db2.gz FKOHEWZOKHVPNY-MXWKQRLJSA-N 0 0 288.351 2.966 20 10 CFCDRN CCCn1cc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000174118948 623389035 /nfs/dbraw/zinc/38/90/35/623389035.db2.gz YXWJGLRBFTUNDC-UHFFFAOYSA-N 0 0 288.351 2.663 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CO1 ZINC000826795398 623453234 /nfs/dbraw/zinc/45/32/34/623453234.db2.gz AAPXCFWXCITKQM-VIFPVBQESA-N 0 0 273.735 2.842 20 10 CFCDRN O=C(Cc1ccc(F)c(F)c1)NCc1ccccc1O ZINC000088348281 623453954 /nfs/dbraw/zinc/45/39/54/623453954.db2.gz BMKABMIWIMAGRJ-UHFFFAOYSA-N 0 0 277.270 2.529 20 10 CFCDRN CCn1nnc(C)c1CN(C)c1ccc(OC)c(Cl)c1 ZINC000824131656 623456986 /nfs/dbraw/zinc/45/69/86/623456986.db2.gz ZBVMUWPCWVIIDW-UHFFFAOYSA-N 0 0 294.786 2.905 20 10 CFCDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(O)c1O ZINC000757649454 623492561 /nfs/dbraw/zinc/49/25/61/623492561.db2.gz VXMOXDRPXNRYAH-QMMMGPOBSA-N 0 0 291.269 2.949 20 10 CFCDRN Cc1cc(Cl)cc(CN(C2CC2)C2COC2)c1O ZINC000824472323 623511615 /nfs/dbraw/zinc/51/16/15/623511615.db2.gz QALCUPHTHQAUOV-UHFFFAOYSA-N 0 0 267.756 2.717 20 10 CFCDRN Cc1nc(COC(=O)c2cccc(O)c2O)sc1C ZINC000758581223 623511670 /nfs/dbraw/zinc/51/16/70/623511670.db2.gz LLFGXADHBHWUKX-UHFFFAOYSA-N 0 0 279.317 2.528 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cn(C2CCC2)nn1 ZINC000824479535 623512051 /nfs/dbraw/zinc/51/20/51/623512051.db2.gz XLUQMYRUJDFSLC-UHFFFAOYSA-N 0 0 284.363 2.574 20 10 CFCDRN CCOc1cccc(CN[C@H](CC)C(F)F)c1O ZINC000824509230 623513257 /nfs/dbraw/zinc/51/32/57/623513257.db2.gz JQERQTXEGZWPQJ-SNVBAGLBSA-N 0 0 259.296 2.924 20 10 CFCDRN CC(C)[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000232752074 623523406 /nfs/dbraw/zinc/52/34/06/623523406.db2.gz IJVNPKZKBRBQMX-KRWDZBQOSA-N 0 0 290.407 2.685 20 10 CFCDRN Cc1cc(O)c(CN2CCOC(C)(C)C2)cc1Cl ZINC000824592057 623529744 /nfs/dbraw/zinc/52/97/44/623529744.db2.gz DGCQTYAFUJKOBK-UHFFFAOYSA-N 0 0 269.772 2.965 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000824636091 623536415 /nfs/dbraw/zinc/53/64/15/623536415.db2.gz LTZDYKHWLOWOKI-GXSJLCMTSA-N 0 0 297.704 2.679 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N=S(C)(C)=O)cc1 ZINC000913646997 623542164 /nfs/dbraw/zinc/54/21/64/623542164.db2.gz XGSBXWOCEISHLR-UHFFFAOYSA-N 0 0 290.388 2.962 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824696185 623547107 /nfs/dbraw/zinc/54/71/07/623547107.db2.gz HTDXGNBFXNEXAZ-MRVPVSSYSA-N 0 0 275.751 2.824 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1 ZINC000184925955 625661091 /nfs/dbraw/zinc/66/10/91/625661091.db2.gz OJOWEULFKPLFTE-LLVKDONJSA-N 0 0 286.331 2.851 20 10 CFCDRN CCn1ccnc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000825005907 623605542 /nfs/dbraw/zinc/60/55/42/623605542.db2.gz VGPDFJRZOLSTJH-GFCCVEGCSA-N 0 0 271.364 2.689 20 10 CFCDRN C[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2nccn21 ZINC000825017037 623606335 /nfs/dbraw/zinc/60/63/35/623606335.db2.gz LAYHGBHWGGRRHI-SMDDNHRTSA-N 0 0 269.348 2.614 20 10 CFCDRN CCc1nc(CNCc2cc(Cl)cc(OC)c2O)co1 ZINC000825058302 623619268 /nfs/dbraw/zinc/61/92/68/623619268.db2.gz VJMMUXWZHUAZTL-UHFFFAOYSA-N 0 0 296.754 2.894 20 10 CFCDRN CCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)co1 ZINC000825061153 623620114 /nfs/dbraw/zinc/62/01/14/623620114.db2.gz AUNGRDKACSARMD-JTQLQIEISA-N 0 0 276.336 2.802 20 10 CFCDRN Cc1cc(Cl)cc(CN(CC(F)F)C[C@H](C)O)c1O ZINC000825099465 623630081 /nfs/dbraw/zinc/63/00/81/623630081.db2.gz ZVTMYCONPSZSAM-VIFPVBQESA-N 0 0 293.741 2.802 20 10 CFCDRN C[C@H](O)CN(Cc1ccc2ccccc2c1O)CC(F)F ZINC000825103799 623630838 /nfs/dbraw/zinc/63/08/38/623630838.db2.gz IIPZFPFTGOFQPQ-NSHDSACASA-N 0 0 295.329 2.993 20 10 CFCDRN CCc1nocc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000834409633 625664898 /nfs/dbraw/zinc/66/48/98/625664898.db2.gz XRLQZCQNYQUNPC-XYOKQWHBSA-N 0 0 291.376 2.693 20 10 CFCDRN COc1cccc(O)c1CNc1cccc(CCO)c1 ZINC000825284344 623664783 /nfs/dbraw/zinc/66/47/83/623664783.db2.gz LJWZRLJWSKOYDY-UHFFFAOYSA-N 0 0 273.332 2.548 20 10 CFCDRN CC(C)CCCNC(=O)NCc1c(O)cccc1F ZINC000914065198 623685396 /nfs/dbraw/zinc/68/53/96/623685396.db2.gz NJITZIVIGWLBKW-UHFFFAOYSA-N 0 0 268.332 2.767 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000825450543 623695513 /nfs/dbraw/zinc/69/55/13/623695513.db2.gz ICSAHAZSQHROEX-NEPJUHHUSA-N 0 0 283.799 2.947 20 10 CFCDRN Cc1nnc(CNCc2cc(Cl)c(C)cc2O)s1 ZINC000825475842 623700059 /nfs/dbraw/zinc/70/00/59/623700059.db2.gz WQMSZYZHYJNEDH-UHFFFAOYSA-N 0 0 283.784 2.804 20 10 CFCDRN COc1ccc(N(C)Cc2cnc(C)n2C)cc1F ZINC000825469305 623700150 /nfs/dbraw/zinc/70/01/50/623700150.db2.gz WEBVONZIICKVPB-UHFFFAOYSA-N 0 0 263.316 2.513 20 10 CFCDRN C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825529267 623709365 /nfs/dbraw/zinc/70/93/65/623709365.db2.gz FIBCLSAANKCPGX-ZJUUUORDSA-N 0 0 281.327 2.793 20 10 CFCDRN CCN(CCSC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000825602352 623722063 /nfs/dbraw/zinc/72/20/63/623722063.db2.gz JTKOTLRPXOSGOU-UHFFFAOYSA-N 0 0 295.452 2.647 20 10 CFCDRN O=C(NCCSCCC(F)(F)F)C1=CC(=O)CS1 ZINC000825723080 623746990 /nfs/dbraw/zinc/74/69/90/623746990.db2.gz GMWBPGKQOKWSTO-UHFFFAOYSA-N 0 0 299.339 2.869 20 10 CFCDRN Oc1cc(Br)ccc1CN1CCOCC12CC2 ZINC000825803896 623755887 /nfs/dbraw/zinc/75/58/87/623755887.db2.gz LRXNYKMGTSHHQF-UHFFFAOYSA-N 0 0 298.180 2.520 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825840188 623759579 /nfs/dbraw/zinc/75/95/79/623759579.db2.gz RBHSALFVEAAJHS-BXUZGUMPSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCCC2(F)F)c1 ZINC000825838460 623759924 /nfs/dbraw/zinc/75/99/24/623759924.db2.gz AOWNCXVKVHKTFQ-GFCCVEGCSA-N 0 0 299.317 2.843 20 10 CFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000825840190 623759940 /nfs/dbraw/zinc/75/99/40/623759940.db2.gz RBHSALFVEAAJHS-RISCZKNCSA-N 0 0 277.364 2.843 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1[O-] ZINC000185015491 625674196 /nfs/dbraw/zinc/67/41/96/625674196.db2.gz KIXVXZLRNCLNIL-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1Cl ZINC000825927912 623770188 /nfs/dbraw/zinc/77/01/88/623770188.db2.gz KGGRUYZAYLEADG-NSHDSACASA-N 0 0 297.704 2.709 20 10 CFCDRN CC1(C)C[C@]1(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000914380258 623780380 /nfs/dbraw/zinc/78/03/80/623780380.db2.gz BRPUFLCZBQSJNW-GMNBZTITSA-N 0 0 275.348 2.663 20 10 CFCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCCCC1 ZINC000826062604 623788748 /nfs/dbraw/zinc/78/87/48/623788748.db2.gz BIYOJEITYJTWQV-VIFPVBQESA-N 0 0 281.327 2.936 20 10 CFCDRN Cc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)c(O)c1O ZINC000914418410 623789482 /nfs/dbraw/zinc/78/94/82/623789482.db2.gz KDXPQGJFZAQNDA-SNVBAGLBSA-N 0 0 299.317 2.962 20 10 CFCDRN COCCCn1cc(C)c(NCc2cccc(C)c2O)n1 ZINC000826687224 623843615 /nfs/dbraw/zinc/84/36/15/623843615.db2.gz QOQCAORMPZMREM-UHFFFAOYSA-N 0 0 289.379 2.854 20 10 CFCDRN CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914439449 623863667 /nfs/dbraw/zinc/86/36/67/623863667.db2.gz YQCQGHCROQEHNK-UHFFFAOYSA-N 0 0 260.381 2.900 20 10 CFCDRN CCOc1ccc([C@H]2NC(=O)c3cccc(C)c3N2)c(O)c1 ZINC000914579715 623903332 /nfs/dbraw/zinc/90/33/32/623903332.db2.gz PVGXNKCWUUUWCM-MRXNPFEDSA-N 0 0 298.342 2.953 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@@H](C)O ZINC000834886267 623903484 /nfs/dbraw/zinc/90/34/84/623903484.db2.gz AZIXBAPTCCOIOQ-WQAKAFBOSA-N 0 0 255.333 2.731 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000827125257 623947702 /nfs/dbraw/zinc/94/77/02/623947702.db2.gz HYLPUFYELKUYIG-SNVBAGLBSA-N 0 0 285.746 2.986 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000827131744 623949337 /nfs/dbraw/zinc/94/93/37/623949337.db2.gz 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COc1ccc(N(C)C[C@@H](OC)[C@H]2CCOC2)cc1Cl ZINC000851809714 634542973 /nfs/dbraw/zinc/54/29/73/634542973.db2.gz XYLKSYBXPOPUPU-XHDPSFHLSA-N 0 0 299.798 2.836 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccn(C2CCCC2)n1 ZINC000764322221 627050988 /nfs/dbraw/zinc/05/09/88/627050988.db2.gz OGOZPMMSEBPWRY-UHFFFAOYSA-N 0 0 285.347 2.634 20 10 CFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C1=CC(=O)CS1)CO2 ZINC000764337977 627051599 /nfs/dbraw/zinc/05/15/99/627051599.db2.gz PNWAAVZMIAVIFR-NSHDSACASA-N 0 0 275.329 2.626 20 10 CFCDRN Cc1ccc2c(c1)[C@H](NC(=O)C1=CC(=O)CS1)CO2 ZINC000764337975 627051933 /nfs/dbraw/zinc/05/19/33/627051933.db2.gz PNWAAVZMIAVIFR-LLVKDONJSA-N 0 0 275.329 2.626 20 10 CFCDRN CCN(Cc1cc(OC)no1)c1ccc(OC)cc1 ZINC000851827165 634550029 /nfs/dbraw/zinc/55/00/29/634550029.db2.gz BXSLQRCKNZLMCU-UHFFFAOYSA-N 0 0 262.309 2.718 20 10 CFCDRN COc1ccc2c(c1)CCCCN2CCn1ccccc1=O ZINC000766270929 627189112 /nfs/dbraw/zinc/18/91/12/627189112.db2.gz WZMMIGACCCWNHA-UHFFFAOYSA-N 0 0 298.386 2.700 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ns1 ZINC000766684654 627214508 /nfs/dbraw/zinc/21/45/08/627214508.db2.gz OEZQBAZYIXNBON-UHFFFAOYSA-N 0 0 289.404 2.756 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@H](C)CO ZINC000766702432 627215563 /nfs/dbraw/zinc/21/55/63/627215563.db2.gz QKNRIOUOQBZGBY-JTQLQIEISA-N 0 0 293.388 2.941 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C)oc2C)c(OC)c1 ZINC000851864542 634561666 /nfs/dbraw/zinc/56/16/66/634561666.db2.gz DJPURVBLZGHVRB-UHFFFAOYSA-N 0 0 276.336 2.945 20 10 CFCDRN COc1ccc(N(C)C[C@@H](OC)C2CCC2)c(OC)c1 ZINC000851865226 634562430 /nfs/dbraw/zinc/56/24/30/634562430.db2.gz TUKOVZJDIRDLLN-MRXNPFEDSA-N 0 0 279.380 2.955 20 10 CFCDRN CCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(O)c1 ZINC000768258816 627329044 /nfs/dbraw/zinc/32/90/44/627329044.db2.gz XHWBMYPNOCWSBC-ZDUSSCGKSA-N 0 0 291.391 2.792 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cc(Cl)cc(F)c1O ZINC000768269444 627329997 /nfs/dbraw/zinc/32/99/97/627329997.db2.gz PJCRCVOWELDQNA-FARCUNLSSA-N 0 0 289.740 2.674 20 10 CFCDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)C1=CC(=O)CS1 ZINC000768373882 627337983 /nfs/dbraw/zinc/33/79/83/627337983.db2.gz HDKKKPHYBPIPNC-SNVBAGLBSA-N 0 0 281.377 2.675 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C2)c1 ZINC000768945686 627388575 /nfs/dbraw/zinc/38/85/75/627388575.db2.gz TXMWXPCEUPCHPV-GFCCVEGCSA-N 0 0 292.379 2.779 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000769104890 627403080 /nfs/dbraw/zinc/40/30/80/627403080.db2.gz KMKWSYQYSHZIIB-TZMCWYRMSA-N 0 0 280.387 2.891 20 10 CFCDRN CCOCCC1(C(=O)NCc2ccccc2O)CCCC1 ZINC000769366175 627428537 /nfs/dbraw/zinc/42/85/37/627428537.db2.gz UUHORQURFSIUHR-UHFFFAOYSA-N 0 0 291.391 2.995 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc2ccsc2[nH]1 ZINC000769364453 627428673 /nfs/dbraw/zinc/42/86/73/627428673.db2.gz GMGHUBLRIBPIHU-UHFFFAOYSA-N 0 0 272.329 2.865 20 10 CFCDRN CCn1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000769426917 627437907 /nfs/dbraw/zinc/43/79/07/627437907.db2.gz KTBXEDIXWJQHDY-UHFFFAOYSA-N 0 0 290.386 2.740 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C)CCC2CC2)c(O)c1O ZINC000769644910 627463015 /nfs/dbraw/zinc/46/30/15/627463015.db2.gz JLYRJXKRFKFXDZ-JTQLQIEISA-N 0 0 263.337 2.715 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](OC)C(C)C)cc1 ZINC000769862617 627481781 /nfs/dbraw/zinc/48/17/81/627481781.db2.gz MKXQOJQWIGPIBK-MRXNPFEDSA-N 0 0 292.423 2.820 20 10 CFCDRN Cc1cc(-c2nc(N(C)C)no2)c(C)n1-c1ccccn1 ZINC000769867198 627482686 /nfs/dbraw/zinc/48/26/86/627482686.db2.gz WFMWPVPFMWCTQY-UHFFFAOYSA-N 0 0 283.335 2.605 20 10 CFCDRN Cc1cnc(C(C)(C)NC(=O)C2=CC(=O)CS2)s1 ZINC000839800958 627505863 /nfs/dbraw/zinc/50/58/63/627505863.db2.gz XTCKPSQHWRTXEW-UHFFFAOYSA-N 0 0 282.390 2.884 20 10 CFCDRN Cc1nc(C(=O)N(C)Cc2ccccc2O)sc1C ZINC000770230336 627509372 /nfs/dbraw/zinc/50/93/72/627509372.db2.gz KVSWVJYXENZRRH-UHFFFAOYSA-N 0 0 276.361 2.738 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c(O)c1O ZINC000770487827 627525179 /nfs/dbraw/zinc/52/51/79/627525179.db2.gz APABILMNCDXOLV-KBPBESRZSA-N 0 0 283.327 2.692 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C)cc1 ZINC000770671414 627539643 /nfs/dbraw/zinc/53/96/43/627539643.db2.gz YSDQFLVDAWNTKK-CJNGLKHVSA-N 0 0 290.407 2.574 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCc2coc(C)n2)c1 ZINC000851899903 634579016 /nfs/dbraw/zinc/57/90/16/634579016.db2.gz JWWBMGFLHHILCI-VIFPVBQESA-N 0 0 262.309 2.548 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1c(O)cccc1OC ZINC000772598205 627725345 /nfs/dbraw/zinc/72/53/45/627725345.db2.gz JOOHBWSXMSMQMU-UHFFFAOYSA-N 0 0 285.343 2.972 20 10 CFCDRN C[C@H](NC(=O)[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000773013322 627768284 /nfs/dbraw/zinc/76/82/84/627768284.db2.gz DGZVXQMWMICKFX-AAEUAGOBSA-N 0 0 278.421 2.683 20 10 CFCDRN CCO[C@H](CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773011242 627768352 /nfs/dbraw/zinc/76/83/52/627768352.db2.gz DWBGBNGOMBDHCP-IUODEOHRSA-N 0 0 278.396 2.745 20 10 CFCDRN CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000773009666 627768588 /nfs/dbraw/zinc/76/85/88/627768588.db2.gz PTJGTSGJPJHKOX-IUODEOHRSA-N 0 0 278.396 2.601 20 10 CFCDRN Cc1[nH]ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019908 627769617 /nfs/dbraw/zinc/76/96/17/627769617.db2.gz RATRWBPCOGXKAN-NSHDSACASA-N 0 0 271.364 2.880 20 10 CFCDRN COCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773023364 627770171 /nfs/dbraw/zinc/77/01/71/627770171.db2.gz WVGKFPRJFXKKFU-KBPBESRZSA-N 0 0 292.423 2.993 20 10 CFCDRN C[C@@H](NS(=O)(=O)CCC1CC1)c1ccc(N(C)C)cc1 ZINC000773083874 627781463 /nfs/dbraw/zinc/78/14/63/627781463.db2.gz JYJDICKKPXPFDG-GFCCVEGCSA-N 0 0 296.436 2.533 20 10 CFCDRN COCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773193719 627793693 /nfs/dbraw/zinc/79/36/93/627793693.db2.gz NJQDBAZJWXDZRI-CYBMUJFWSA-N 0 0 293.411 2.539 20 10 CFCDRN CSCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773306257 627804570 /nfs/dbraw/zinc/80/45/70/627804570.db2.gz ARWWIVOQSFPMCB-LBPRGKRZSA-N 0 0 295.452 2.866 20 10 CFCDRN C[C@H](NC(=O)N[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000773337791 627807869 /nfs/dbraw/zinc/80/78/69/627807869.db2.gz KZKOUFWQEIPFKY-WCQYABFASA-N 0 0 293.436 2.618 20 10 CFCDRN Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)co1 ZINC000851951598 634605241 /nfs/dbraw/zinc/60/52/41/634605241.db2.gz YYNVTCNWLIXEBM-LLVKDONJSA-N 0 0 259.353 2.900 20 10 CFCDRN C[C@@H](CC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000773412956 627816598 /nfs/dbraw/zinc/81/65/98/627816598.db2.gz IKTRJCJJCVDXGA-JTQLQIEISA-N 0 0 265.353 2.786 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cccnc1 ZINC000773736964 627853017 /nfs/dbraw/zinc/85/30/17/627853017.db2.gz BJCNVFBMHVWBEF-ALCCZGGFSA-N 0 0 264.328 2.993 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(F)F ZINC000773749592 627853716 /nfs/dbraw/zinc/85/37/16/627853716.db2.gz RAKGLCJQZLUKTA-VIFPVBQESA-N 0 0 287.306 2.580 20 10 CFCDRN Cc1noc(-c2cccnc2NCc2ccccc2O)n1 ZINC000774522880 627934750 /nfs/dbraw/zinc/93/47/50/627934750.db2.gz ARCIWMOEAINTSB-UHFFFAOYSA-N 0 0 282.303 2.758 20 10 CFCDRN CO[C@H](CN(C)c1ccc(OC(C)C)cc1)[C@@H]1CCOC1 ZINC000851985513 634616038 /nfs/dbraw/zinc/61/60/38/634616038.db2.gz MXUJSOQEDWFUDR-RHSMWYFYSA-N 0 0 293.407 2.962 20 10 CFCDRN C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000775402455 628021477 /nfs/dbraw/zinc/02/14/77/628021477.db2.gz BKGGZBGCVDUNAG-ZDUSSCGKSA-N 0 0 298.386 2.878 20 10 CFCDRN Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000775644499 628049561 /nfs/dbraw/zinc/04/95/61/628049561.db2.gz LNYGCQDVJSABLO-UHFFFAOYSA-N 0 0 283.734 2.550 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000775680712 628054861 /nfs/dbraw/zinc/05/48/61/628054861.db2.gz HRZWMRGNKBFKCB-CYBMUJFWSA-N 0 0 280.799 2.714 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775712372 628058041 /nfs/dbraw/zinc/05/80/41/628058041.db2.gz GRMDYHPNOGEKLH-CYBMUJFWSA-N 0 0 273.735 2.532 20 10 CFCDRN Cn1cc(CCC[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000776153639 628107623 /nfs/dbraw/zinc/10/76/23/628107623.db2.gz BPXVXUSGUQZAES-UHFFFAOYSA-N 0 0 279.771 2.502 20 10 CFCDRN CC(C)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776249568 628121791 /nfs/dbraw/zinc/12/17/91/628121791.db2.gz PYLBUQKMNPVWOZ-GFCCVEGCSA-N 0 0 263.385 2.863 20 10 CFCDRN Cc1nccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000776495282 628154050 /nfs/dbraw/zinc/15/40/50/628154050.db2.gz CQILWAPXKHCGOX-LLVKDONJSA-N 0 0 299.378 2.734 20 10 CFCDRN CN(C)c1ccc(CN2CCC(F)(F)C2)cc1F ZINC000776695087 628168030 /nfs/dbraw/zinc/16/80/30/628168030.db2.gz SYANGSIMRDNKPU-UHFFFAOYSA-N 0 0 258.287 2.733 20 10 CFCDRN CCn1nc(C)c(NCc2cc(OC)ccc2O)c1C ZINC000777503034 628231442 /nfs/dbraw/zinc/23/14/42/628231442.db2.gz UJERTYFZENGYTR-UHFFFAOYSA-N 0 0 275.352 2.846 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](F)C2)cc1OC ZINC000778000630 628271825 /nfs/dbraw/zinc/27/18/25/628271825.db2.gz QZOXCNIYOQRFJT-ZJUUUORDSA-N 0 0 298.314 2.796 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1ccncc1 ZINC000778326065 628297158 /nfs/dbraw/zinc/29/71/58/628297158.db2.gz XQELWKANZRIOAW-GQCTYLIASA-N 0 0 299.326 2.682 20 10 CFCDRN COCc1ccsc1C(=O)NCc1ccccc1O ZINC000778913879 628339611 /nfs/dbraw/zinc/33/96/11/628339611.db2.gz JHXRAFOKYDZUAK-UHFFFAOYSA-N 0 0 277.345 2.530 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)cc(F)c1[O-] ZINC000779065646 628349366 /nfs/dbraw/zinc/34/93/66/628349366.db2.gz NDZWHSIWLJMEHY-MWLCHTKSSA-N 0 0 293.317 2.533 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1O ZINC000779380234 628377611 /nfs/dbraw/zinc/37/76/11/628377611.db2.gz OYJHKVAPYIYUTE-UHFFFAOYSA-N 0 0 284.359 2.697 20 10 CFCDRN CN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779488766 628385482 /nfs/dbraw/zinc/38/54/82/628385482.db2.gz JHMCENIRDUHYGT-FNORWQNLSA-N 0 0 289.356 2.831 20 10 CFCDRN CC1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779515893 628386344 /nfs/dbraw/zinc/38/63/44/628386344.db2.gz YCLPYQBFQCMSQO-GQCTYLIASA-N 0 0 275.348 2.760 20 10 CFCDRN CC1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779515894 628386403 /nfs/dbraw/zinc/38/64/03/628386403.db2.gz YCLPYQBFQCMSQO-XQRVVYSFSA-N 0 0 275.348 2.760 20 10 CFCDRN CCC(C)(C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779517628 628386530 /nfs/dbraw/zinc/38/65/30/628386530.db2.gz CCGMFBKBDNTSSH-VQHVLOKHSA-N 0 0 263.337 2.758 20 10 CFCDRN Cc1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779536626 628387070 /nfs/dbraw/zinc/38/70/70/628387070.db2.gz LTIFEFNLJVPITE-XVNBXDOJSA-N 0 0 285.299 2.764 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cccc(F)c21 ZINC000779535587 628387150 /nfs/dbraw/zinc/38/71/50/628387150.db2.gz JHRIPMATYKMDFM-ALCCZGGFSA-N 0 0 299.301 2.839 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000806148262 628391305 /nfs/dbraw/zinc/39/13/05/628391305.db2.gz FAARGQHKZGHIBQ-BXKDBHETSA-N 0 0 255.745 2.875 20 10 CFCDRN CC1(C)CC(CNC(=O)NCc2ccccc2O)C1 ZINC000780363975 628458570 /nfs/dbraw/zinc/45/85/70/628458570.db2.gz WODYTYCGYZXUBL-UHFFFAOYSA-N 0 0 262.353 2.628 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)co1 ZINC000780721895 628489310 /nfs/dbraw/zinc/48/93/10/628489310.db2.gz YRSPQVGIUPFDGX-UHFFFAOYSA-N 0 0 272.348 2.892 20 10 CFCDRN Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)c(O)c1O ZINC000780857086 628500061 /nfs/dbraw/zinc/50/00/61/628500061.db2.gz UXSZLEBSHFAIJF-LBPRGKRZSA-N 0 0 285.343 2.940 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(F)cc2F)c(O)c1O ZINC000780879771 628501735 /nfs/dbraw/zinc/50/17/35/628501735.db2.gz VKUCKYCKYYXOJE-UHFFFAOYSA-N 0 0 293.269 2.614 20 10 CFCDRN C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000780892910 628503138 /nfs/dbraw/zinc/50/31/38/628503138.db2.gz RDVKHTHAJLZRSE-MNOVXSKESA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c(O)c1O ZINC000780944105 628506966 /nfs/dbraw/zinc/50/69/66/628506966.db2.gz KXDLJDAIPTZPOV-IWIIMEHWSA-N 0 0 277.364 2.961 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c(O)c1O ZINC000780953053 628507899 /nfs/dbraw/zinc/50/78/99/628507899.db2.gz DYISCZSWJQRSBY-DZGCQCFKSA-N 0 0 297.354 2.767 20 10 CFCDRN CSc1ccncc1NC(=O)c1ccc(C)c(O)c1O ZINC000780961341 628508257 /nfs/dbraw/zinc/50/82/57/628508257.db2.gz QYZLBFDJEDTTLV-UHFFFAOYSA-N 0 0 290.344 2.775 20 10 CFCDRN Cc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c(O)c1O ZINC000780983629 628510598 /nfs/dbraw/zinc/51/05/98/628510598.db2.gz FTCOXMYEJVMICC-VIFPVBQESA-N 0 0 285.290 2.714 20 10 CFCDRN Cc1ccc(C(=O)NCCSCC(C)C)c(O)c1O ZINC000780996542 628511637 /nfs/dbraw/zinc/51/16/37/628511637.db2.gz YEMVPCGHGWRQRD-UHFFFAOYSA-N 0 0 283.393 2.525 20 10 CFCDRN COC(=O)[C@@H]1CCCCCN1Cc1cccc(Cl)c1[O-] ZINC000781526501 628556842 /nfs/dbraw/zinc/55/68/42/628556842.db2.gz GVGOBFJDKGLNEK-ZDUSSCGKSA-N 0 0 297.782 2.963 20 10 CFCDRN COC[C@@H](CN(CC1CC1)c1ccc(OC)cc1)OC ZINC000852134643 634666878 /nfs/dbraw/zinc/66/68/78/634666878.db2.gz GEHTYJFIHJSLIF-MRXNPFEDSA-N 0 0 279.380 2.573 20 10 CFCDRN CC1(C)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000782013221 628597110 /nfs/dbraw/zinc/59/71/10/628597110.db2.gz HLYQOQIQXRUIMN-LLVKDONJSA-N 0 0 263.337 2.540 20 10 CFCDRN COCc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000782143814 628607345 /nfs/dbraw/zinc/60/73/45/628607345.db2.gz UWOUQEHAEBMJIU-UHFFFAOYSA-N 0 0 298.390 2.835 20 10 CFCDRN COCc1cc(NCc2c(O)ccc3c2CCCC3)ncn1 ZINC000782148431 628607732 /nfs/dbraw/zinc/60/77/32/628607732.db2.gz LSDUDZSFZKKZQQ-UHFFFAOYSA-N 0 0 299.374 2.820 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000852138817 634669002 /nfs/dbraw/zinc/66/90/02/634669002.db2.gz UJBZMJRGIOYFDC-HZPDHXFCSA-N 0 0 297.402 2.614 20 10 CFCDRN CCC/C(C)=C/C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783179626 628682162 /nfs/dbraw/zinc/68/21/62/628682162.db2.gz VKFDKVCSWBVIDQ-JXMROGBWSA-N 0 0 278.304 2.570 20 10 CFCDRN CC[C@@H](N[C@H](C)c1ncn(C)n1)c1cc(Cl)ccc1O ZINC000783296636 628698423 /nfs/dbraw/zinc/69/84/23/628698423.db2.gz GCDXENDRXLLPIV-BXKDBHETSA-N 0 0 294.786 2.976 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000783302111 628698781 /nfs/dbraw/zinc/69/87/81/628698781.db2.gz BQDMUDVPNJDPNC-DGCLKSJQSA-N 0 0 291.347 2.522 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCS2)c1 ZINC000783590770 628724545 /nfs/dbraw/zinc/72/45/45/628724545.db2.gz ZJSVWQUPWVZXDS-YGRLFVJLSA-N 0 0 295.404 2.864 20 10 CFCDRN CN(C)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000783729693 628738337 /nfs/dbraw/zinc/73/83/37/628738337.db2.gz PSZBRRJDLAXGGM-UHFFFAOYSA-N 0 0 286.778 2.759 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C23CCC(CC2)C3)cc1 ZINC000783777669 628745237 /nfs/dbraw/zinc/74/52/37/628745237.db2.gz TWOFTGOGZZYRQD-UHFFFAOYSA-N 0 0 272.392 2.949 20 10 CFCDRN CCC(C)(C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783948415 628756999 /nfs/dbraw/zinc/75/69/99/628756999.db2.gz VLMOWXXDRZNSJZ-UHFFFAOYSA-N 0 0 280.320 2.650 20 10 CFCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000784036297 628767484 /nfs/dbraw/zinc/76/74/84/628767484.db2.gz SSVORPOUPAYVTB-DOMZBBRYSA-N 0 0 291.391 2.686 20 10 CFCDRN CC(C)[C@@H](F)C(=O)NCCCSc1nccs1 ZINC000784410199 628815074 /nfs/dbraw/zinc/81/50/74/628815074.db2.gz DQXQVPWBQLATRE-SECBINFHSA-N 0 0 276.402 2.736 20 10 CFCDRN CS[C@H](CNC(=O)NCc1ccccc1O)C(C)(C)C ZINC000784476449 628819891 /nfs/dbraw/zinc/81/98/91/628819891.db2.gz NKBOBHZPKNNORU-CYBMUJFWSA-N 0 0 296.436 2.969 20 10 CFCDRN C[C@H]1CCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784753448 628841293 /nfs/dbraw/zinc/84/12/93/628841293.db2.gz HLYCNMGRPNLVCN-WDEREUQCSA-N 0 0 292.331 2.650 20 10 CFCDRN C[C@@H](CC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784788205 628842421 /nfs/dbraw/zinc/84/24/21/628842421.db2.gz RDKWFEMDWIBVBS-JTQLQIEISA-N 0 0 294.347 2.896 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000784894031 628849753 /nfs/dbraw/zinc/84/97/53/628849753.db2.gz QFRSYPAMOOLUKN-DZGCQCFKSA-N 0 0 290.407 2.747 20 10 CFCDRN CC[C@@]1(C)CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000785983675 628927847 /nfs/dbraw/zinc/92/78/47/628927847.db2.gz BFCNWMQKVCMPHR-INIZCTEOSA-N 0 0 280.387 2.893 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000786574431 628968911 /nfs/dbraw/zinc/96/89/11/628968911.db2.gz BTHKVRCTFFNZKS-DJLDLDEBSA-N 0 0 259.296 2.744 20 10 CFCDRN CN(C)c1ccc(CNc2nnc(C(F)F)o2)cc1 ZINC000787244953 629001591 /nfs/dbraw/zinc/00/15/91/629001591.db2.gz FGLJQCGHGRMFCL-UHFFFAOYSA-N 0 0 268.267 2.685 20 10 CFCDRN COc1cc(N(C)CC2(C)CC2)cc(OC)c1OC ZINC000787269373 629003113 /nfs/dbraw/zinc/00/31/13/629003113.db2.gz BSMKBEVNOHYYTP-UHFFFAOYSA-N 0 0 265.353 2.949 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787408242 629011596 /nfs/dbraw/zinc/01/15/96/629011596.db2.gz UXXSWOYZRGBASB-MUJYYYPQSA-N 0 0 287.407 2.693 20 10 CFCDRN CCN(CC)c1ccc(CN2C[C@H](O)CC(F)(F)C2)cc1 ZINC000787438379 629012876 /nfs/dbraw/zinc/01/28/76/629012876.db2.gz PYEDIGFHSGACGH-OAHLLOKOSA-N 0 0 298.377 2.735 20 10 CFCDRN CCN1OC[C@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000787491071 629015143 /nfs/dbraw/zinc/01/51/43/629015143.db2.gz ILIUZPMIAWFGDN-QMMMGPOBSA-N 0 0 286.422 2.695 20 10 CFCDRN COc1cc(C)cc(NC(=O)c2cccc(O)c2O)c1C ZINC000787662728 629024641 /nfs/dbraw/zinc/02/46/41/629024641.db2.gz WBABCVGDJJJCRW-UHFFFAOYSA-N 0 0 287.315 2.976 20 10 CFCDRN CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F ZINC000787695340 629026743 /nfs/dbraw/zinc/02/67/43/629026743.db2.gz QVOJAVRZHUIXCD-QZPNVGJNSA-N 0 0 289.253 2.568 20 10 CFCDRN C[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000852261053 634703354 /nfs/dbraw/zinc/70/33/54/634703354.db2.gz JMQQDTHXAZTPIG-NWANDNLSSA-N 0 0 287.407 2.865 20 10 CFCDRN CC1(NC(=S)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000789248620 629140661 /nfs/dbraw/zinc/14/06/61/629140661.db2.gz CRHSHXIZSOUDPX-UHFFFAOYSA-N 0 0 287.432 2.579 20 10 CFCDRN CCOc1cccc(CN2C[C@@H](O)Cc3ccccc32)c1O ZINC000789761537 629186138 /nfs/dbraw/zinc/18/61/38/629186138.db2.gz IVGZHUCMTOVBPV-HNNXBMFYSA-N 0 0 299.370 2.715 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](O)Cc3ccccc32)cc1C ZINC000789771005 629186692 /nfs/dbraw/zinc/18/66/92/629186692.db2.gz ZNHVCAJNNCKGOG-INIZCTEOSA-N 0 0 283.371 2.933 20 10 CFCDRN O=C(NCCCc1ccccc1)c1c(F)ccc(O)c1O ZINC000789942518 629199225 /nfs/dbraw/zinc/19/92/25/629199225.db2.gz SNTQNPXXBOJGNV-UHFFFAOYSA-N 0 0 289.306 2.600 20 10 CFCDRN Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC000789954870 629199637 /nfs/dbraw/zinc/19/96/37/629199637.db2.gz OIPXOADKYJTHMW-UHFFFAOYSA-N 0 0 289.306 2.784 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc(O)c1O ZINC000789987768 629202196 /nfs/dbraw/zinc/20/21/96/629202196.db2.gz VUSWMQMCVRUKIJ-ZYHUDNBSSA-N 0 0 293.338 2.936 20 10 CFCDRN Cc1cc(NS(=O)(=O)CCc2cccs2)ccc1O ZINC000790005365 629203349 /nfs/dbraw/zinc/20/33/49/629203349.db2.gz PYRWDWMUROARHE-UHFFFAOYSA-N 0 0 297.401 2.747 20 10 CFCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)c2n[nH]cc21 ZINC000790597731 629251271 /nfs/dbraw/zinc/25/12/71/629251271.db2.gz GLWYTQGRVGFBID-UHFFFAOYSA-N 0 0 283.287 2.535 20 10 CFCDRN C[C@H](CN(C)C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790629365 629253643 /nfs/dbraw/zinc/25/36/43/629253643.db2.gz HXMSWMPONACXKJ-GFCCVEGCSA-N 0 0 285.343 2.974 20 10 CFCDRN Cc1cc(C)cc(CCNC(=O)c2cccc(O)c2O)c1 ZINC000790774461 629261500 /nfs/dbraw/zinc/26/15/00/629261500.db2.gz WQPJTJQCKYQQKS-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN O=C(Nc1cccc2cc[nH]c21)c1cccc(O)c1O ZINC000790940410 629273078 /nfs/dbraw/zinc/27/30/78/629273078.db2.gz JUEXZPCFMUEZGU-UHFFFAOYSA-N 0 0 268.272 2.831 20 10 CFCDRN CO[C@@H](C)CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790955621 629274402 /nfs/dbraw/zinc/27/44/02/629274402.db2.gz VJXAAFSCKZKSAB-QMMMGPOBSA-N 0 0 261.724 2.699 20 10 CFCDRN C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976879 629276364 /nfs/dbraw/zinc/27/63/64/629276364.db2.gz OJHYNYGIMVNWAN-ZANVPECISA-N 0 0 298.789 2.757 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cn[nH]c1 ZINC000790980232 629276804 /nfs/dbraw/zinc/27/68/04/629276804.db2.gz LMITWLGYHDPPCO-SSDOTTSWSA-N 0 0 269.707 2.759 20 10 CFCDRN CCCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024635 629320721 /nfs/dbraw/zinc/32/07/21/629320721.db2.gz KJWAUULGEAOHOQ-SREVYHEPSA-N 0 0 290.407 2.651 20 10 CFCDRN Cc1cc(C(=O)OC[C@H](C)O)c(C)n1-c1cccc(C)c1 ZINC000791496197 629321154 /nfs/dbraw/zinc/32/11/54/629321154.db2.gz ARSQEIDQOKMHHT-ZDUSSCGKSA-N 0 0 287.359 2.940 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C)Cc2cc[nH]n2)cc1 ZINC000835028963 629325332 /nfs/dbraw/zinc/32/53/32/629325332.db2.gz OCNLJXOHVZHCJS-PLNGDYQASA-N 0 0 270.380 2.621 20 10 CFCDRN Cc1c(NC/C=C\c2ccc(N(C)C)cc2)cnn1C ZINC000835043096 629338767 /nfs/dbraw/zinc/33/87/67/629338767.db2.gz PJSXXILNOLMBKH-WAYWQWQTSA-N 0 0 270.380 2.920 20 10 CFCDRN COc1cc(NC/C=C\c2ccc(N(C)C)cc2)nn1C ZINC000835046480 629343185 /nfs/dbraw/zinc/34/31/85/629343185.db2.gz KSIUBXVNCWRAEP-WAYWQWQTSA-N 0 0 286.379 2.620 20 10 CFCDRN Cc1ccc(C(=O)OCc2nc3ccccc3[nH]2)c(O)c1O ZINC000791813637 629361679 /nfs/dbraw/zinc/36/16/79/629361679.db2.gz DVPZHCBIUJKAOK-UHFFFAOYSA-N 0 0 298.298 2.640 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000792106688 629397820 /nfs/dbraw/zinc/39/78/20/629397820.db2.gz ZFPVDHJMCKMFCQ-KBPBESRZSA-N 0 0 285.391 2.755 20 10 CFCDRN C[C@@]1(CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180798 629406843 /nfs/dbraw/zinc/40/68/43/629406843.db2.gz URSISZYXCUSZJC-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN C[C@@H](NC(=O)C(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000792332791 629421542 /nfs/dbraw/zinc/42/15/42/629421542.db2.gz NTBFVLFHGPCQMP-CYBMUJFWSA-N 0 0 296.370 2.813 20 10 CFCDRN CC[C@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCOC1 ZINC000792430198 629424978 /nfs/dbraw/zinc/42/49/78/629424978.db2.gz HHQBGLFLZUFOBH-HNNXBMFYSA-N 0 0 297.782 2.907 20 10 CFCDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC000792675635 629443808 /nfs/dbraw/zinc/44/38/08/629443808.db2.gz XFQJPQXUARZAMR-XPUUQOCRSA-N 0 0 279.283 2.867 20 10 CFCDRN Fc1cnccc1NCc1ccc(N2CCCC2)cc1 ZINC000792685751 629444302 /nfs/dbraw/zinc/44/43/02/629444302.db2.gz NWDPULUDBKNCEV-UHFFFAOYSA-N 0 0 271.339 2.855 20 10 CFCDRN COC(=O)C(C)(C)CCN1CCc2cc(OC)ccc21 ZINC000792762284 629449147 /nfs/dbraw/zinc/44/91/47/629449147.db2.gz QDSVCUHIASNZFN-UHFFFAOYSA-N 0 0 277.364 2.647 20 10 CFCDRN CC1(C)C(CNC(=O)NCc2ccccc2O)C1(C)C ZINC000792952189 629469922 /nfs/dbraw/zinc/46/99/22/629469922.db2.gz HFCGJNUKHXFGRH-UHFFFAOYSA-N 0 0 276.380 2.874 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)c2c1c(F)ccc2O ZINC000793567600 629572896 /nfs/dbraw/zinc/57/28/96/629572896.db2.gz ZMEYXQFUSPKYFT-JQWIXIFHSA-N 0 0 279.355 2.974 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cc(Cl)ccn1 ZINC000794354511 629639083 /nfs/dbraw/zinc/63/90/83/629639083.db2.gz VMSHWNCKSKXRBE-UHFFFAOYSA-N 0 0 277.711 2.762 20 10 CFCDRN COc1ccc(CNC(=O)C[C@H]2CCC[C@H]2C)c(O)c1 ZINC000794378076 629641431 /nfs/dbraw/zinc/64/14/31/629641431.db2.gz OXVDCCDLDBKEOB-VXGBXAGGSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(CNC(=O)C23CCC(CC2)C3)c(O)c1 ZINC000794376512 629641604 /nfs/dbraw/zinc/64/16/04/629641604.db2.gz ISZKDJXDGAIXNE-UHFFFAOYSA-N 0 0 275.348 2.597 20 10 CFCDRN CCCCSCCC(=O)NCc1ccc(OC)cc1O ZINC000794380397 629642367 /nfs/dbraw/zinc/64/23/67/629642367.db2.gz YVJOGHPPCOGNPT-UHFFFAOYSA-N 0 0 297.420 2.940 20 10 CFCDRN CC(C)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000794417170 629644644 /nfs/dbraw/zinc/64/46/44/629644644.db2.gz ZCZZOJJJFGJQOM-GQCTYLIASA-N 0 0 299.330 2.663 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2occ3c2CCC3)cc1 ZINC000794807449 629688933 /nfs/dbraw/zinc/68/89/33/629688933.db2.gz GMOUDKUABKVETB-UHFFFAOYSA-N 0 0 284.359 2.764 20 10 CFCDRN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000794833028 629691477 /nfs/dbraw/zinc/69/14/77/629691477.db2.gz JVHVRZOYLUJYOI-CABZTGNLSA-N 0 0 285.334 2.872 20 10 CFCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(F)cc(F)c1[O-] ZINC000794833027 629691972 /nfs/dbraw/zinc/69/19/72/629691972.db2.gz JVHVRZOYLUJYOI-BXKDBHETSA-N 0 0 285.334 2.872 20 10 CFCDRN CCN1C(=O)/C(=C/c2ccnn2C(C)C)SC1=S ZINC000794864431 629697409 /nfs/dbraw/zinc/69/74/09/629697409.db2.gz FDQLPZUJNNOCEL-YFHOEESVSA-N 0 0 281.406 2.685 20 10 CFCDRN Cn1cccc1CNC(=S)NCCCCC(F)(F)F ZINC000794981229 629716615 /nfs/dbraw/zinc/71/66/15/629716615.db2.gz ICGWQPAQKWSTPZ-UHFFFAOYSA-N 0 0 293.358 2.722 20 10 CFCDRN O=C(COc1ccccc1)CSc1nccs1 ZINC000795215725 629746597 /nfs/dbraw/zinc/74/65/97/629746597.db2.gz URDNIOUFXYIVNM-UHFFFAOYSA-N 0 0 265.359 2.883 20 10 CFCDRN CC[C@@](C)(OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000795270478 629755614 /nfs/dbraw/zinc/75/56/14/629755614.db2.gz MGRBACDOLCTFJQ-BLLLJJGKSA-N 0 0 278.396 2.745 20 10 CFCDRN Cc1ccc(O)c(CNc2cnc(Br)cn2)c1 ZINC000795793604 629834181 /nfs/dbraw/zinc/83/41/81/629834181.db2.gz ZDWRMAQUIDGDGL-UHFFFAOYSA-N 0 0 294.152 2.865 20 10 CFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000796219826 629891011 /nfs/dbraw/zinc/89/10/11/629891011.db2.gz JFEYYGXFLOGNCN-BETUJISGSA-N 0 0 297.782 2.857 20 10 CFCDRN CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(F)cc1[O-] ZINC000796666171 629948029 /nfs/dbraw/zinc/94/80/29/629948029.db2.gz MTEKVBUADGEFFH-CQSZACIVSA-N 0 0 268.376 2.914 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2ccc3n[nH]cc3c2)cc1 ZINC000102170545 629948823 /nfs/dbraw/zinc/94/88/23/629948823.db2.gz YMTGXVVOXCYHSP-UHFFFAOYSA-N 0 0 294.358 2.559 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(F)cc1[O-] ZINC000796681437 629949760 /nfs/dbraw/zinc/94/97/60/629949760.db2.gz FIAVONJEFGOTST-JSGCOSHPSA-N 0 0 279.311 2.899 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(F)cc1[O-] ZINC000796696048 629951990 /nfs/dbraw/zinc/95/19/90/629951990.db2.gz QUGATFBMDNUFPB-CABCVRRESA-N 0 0 280.387 2.912 20 10 CFCDRN CC[C@@H]([NH2+]CCn1ccnc1C)c1ccc(F)cc1[O-] ZINC000796738006 629957933 /nfs/dbraw/zinc/95/79/33/629957933.db2.gz PODBGTHGCKIPGW-CQSZACIVSA-N 0 0 277.343 2.777 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(F)cc1[O-] ZINC000796764991 629962360 /nfs/dbraw/zinc/96/23/60/629962360.db2.gz VKXKOVHOXCNWGT-UKRRQHHQSA-N 0 0 267.344 2.999 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000796770634 629963352 /nfs/dbraw/zinc/96/33/52/629963352.db2.gz FKRTWVCMLOFMIX-CYBMUJFWSA-N 0 0 263.316 2.804 20 10 CFCDRN CC[C@H](CCO)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796779993 629965522 /nfs/dbraw/zinc/96/55/22/629965522.db2.gz RHQLAOAMYPKSRR-YPMHNXCESA-N 0 0 255.333 2.733 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1ccc(F)cc1[O-] ZINC000796836718 629976022 /nfs/dbraw/zinc/97/60/22/629976022.db2.gz PYVWKUQRWAAYOQ-KPGGICDASA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(F)cc1[O-] ZINC000796876412 629983724 /nfs/dbraw/zinc/98/37/24/629983724.db2.gz AHFWNCWDPGSXDK-CABZTGNLSA-N 0 0 255.333 2.731 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccc(F)cc1[O-] ZINC000796932826 629990724 /nfs/dbraw/zinc/99/07/24/629990724.db2.gz MDCOWOAJZJOIMJ-NRUUGDAUSA-N 0 0 255.333 2.731 20 10 CFCDRN COc1ccc(C=C2SC(=S)NC2=O)c(Cl)c1 ZINC000796980464 629999244 /nfs/dbraw/zinc/99/92/44/629999244.db2.gz DVCTZEXAUADRNO-RUDMXATFSA-N 0 0 285.777 2.837 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCOC(C)(C)C ZINC000797188569 630035266 /nfs/dbraw/zinc/03/52/66/630035266.db2.gz GWNBNNJZSYUIJH-UHFFFAOYSA-N 0 0 279.380 2.946 20 10 CFCDRN CCc1nc(C(=O)N(C)Cc2ccccc2O)c(C)o1 ZINC000797191699 630035968 /nfs/dbraw/zinc/03/59/68/630035968.db2.gz WFKZPOXCLAEVBT-UHFFFAOYSA-N 0 0 274.320 2.523 20 10 CFCDRN O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1C1CC1 ZINC000797476475 630071621 /nfs/dbraw/zinc/07/16/21/630071621.db2.gz SONZLABRTSPBKH-WDEREUQCSA-N 0 0 297.449 2.723 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000797519558 630076452 /nfs/dbraw/zinc/07/64/52/630076452.db2.gz MVHMMHYPATXWTI-XFBWCDHKSA-N 0 0 287.407 2.911 20 10 CFCDRN COc1ccc(CNC(=O)NCCCC2CCC2)c(O)c1 ZINC000852583377 634786302 /nfs/dbraw/zinc/78/63/02/634786302.db2.gz VKKXQYLUNIUOEN-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)C(C)C ZINC000797720093 630098056 /nfs/dbraw/zinc/09/80/56/630098056.db2.gz VFBMTUVFVRCKIZ-CYBMUJFWSA-N 0 0 290.407 2.609 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000798105632 630151079 /nfs/dbraw/zinc/15/10/79/630151079.db2.gz GEDDVDGYJNULPO-OPQQBVKSSA-N 0 0 278.352 2.560 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C)c1 ZINC000798410887 630188481 /nfs/dbraw/zinc/18/84/81/630188481.db2.gz CAMHYFODWMZVPM-VXGBXAGGSA-N 0 0 292.379 2.636 20 10 CFCDRN CC(C)[C@@H]1N(C(=O)C2=CC(=O)CS2)CC12CCOCC2 ZINC000839871971 630271754 /nfs/dbraw/zinc/27/17/54/630271754.db2.gz KIKHJBJWDQUCMU-ZDUSSCGKSA-N 0 0 295.404 2.731 20 10 CFCDRN CN(Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1O ZINC000799731838 630341227 /nfs/dbraw/zinc/34/12/27/630341227.db2.gz ZXESHDVGWSPXBQ-UHFFFAOYSA-N 0 0 285.269 2.766 20 10 CFCDRN CN(Cc1cc(C(F)(F)F)n[nH]1)c1ccc2c(c1)OCO2 ZINC000799734389 630341311 /nfs/dbraw/zinc/34/13/11/630341311.db2.gz CPQFDLIZNBAVLW-UHFFFAOYSA-N 0 0 299.252 2.794 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1O[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000799989952 630359611 /nfs/dbraw/zinc/35/96/11/630359611.db2.gz WRYPIOJUDFFMTA-VLXAULBPSA-N 0 0 290.407 2.743 20 10 CFCDRN O=C(N[C@H]1CCCC12CCOCC2)C1=CC(=O)CS1 ZINC000800697312 630402215 /nfs/dbraw/zinc/40/22/15/630402215.db2.gz TUTBHYKYCKFGTE-LBPRGKRZSA-N 0 0 281.377 2.533 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)F ZINC000839920516 630403370 /nfs/dbraw/zinc/40/33/70/630403370.db2.gz QGVBRWLGLZXINE-GFCCVEGCSA-N 0 0 280.387 2.856 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)F ZINC000839920517 630403601 /nfs/dbraw/zinc/40/36/01/630403601.db2.gz QGVBRWLGLZXINE-LBPRGKRZSA-N 0 0 280.387 2.856 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2CC(C)(C)C2)cc1 ZINC000852699542 634810375 /nfs/dbraw/zinc/81/03/75/634810375.db2.gz QXAQJDQVOJICPU-UHFFFAOYSA-N 0 0 275.396 2.740 20 10 CFCDRN C[C@H]([NH2+]CCCOC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000800989307 630420758 /nfs/dbraw/zinc/42/07/58/630420758.db2.gz AUUWYAAHQDJSQP-QMMMGPOBSA-N 0 0 290.266 2.580 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)OC ZINC000801545401 630456119 /nfs/dbraw/zinc/45/61/19/630456119.db2.gz OCNBVNNFKXMBLI-ZDUSSCGKSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCOC1 ZINC000801550376 630457000 /nfs/dbraw/zinc/45/70/00/630457000.db2.gz XWWQDBAGBBABAD-CQSZACIVSA-N 0 0 291.391 2.948 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](C2CCC2)C1 ZINC000839944689 630469198 /nfs/dbraw/zinc/46/91/98/630469198.db2.gz KTMKJCTXMGQTAM-SNVBAGLBSA-N 0 0 251.351 2.716 20 10 CFCDRN Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1 ZINC000802600593 630532539 /nfs/dbraw/zinc/53/25/39/630532539.db2.gz WFDNFWDOBDBLMN-SNVBAGLBSA-N 0 0 273.336 2.540 20 10 CFCDRN O=C(N[C@@H]1CCc2ccccc2OC1)C1=CC(=O)CS1 ZINC000802641275 630533753 /nfs/dbraw/zinc/53/37/53/630533753.db2.gz SIGNKLLLMPJOHP-LLVKDONJSA-N 0 0 289.356 2.577 20 10 CFCDRN CCc1[nH]ccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000802782068 630546069 /nfs/dbraw/zinc/54/60/69/630546069.db2.gz NJKQOGQWHISGNY-SNVBAGLBSA-N 0 0 288.347 2.782 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)C(C1CCC1)C1CCC1 ZINC000802785203 630546809 /nfs/dbraw/zinc/54/68/09/630546809.db2.gz YBGOXLJSWZCWJQ-UHFFFAOYSA-N 0 0 289.375 2.930 20 10 CFCDRN CN(C)c1ccc(CNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000804332068 630672520 /nfs/dbraw/zinc/67/25/20/630672520.db2.gz WQFLDCPTHGBFEX-UHFFFAOYSA-N 0 0 286.335 2.855 20 10 CFCDRN CCc1nc(C)cc(NCc2cc(OC)ccc2O)n1 ZINC000804458994 630684164 /nfs/dbraw/zinc/68/41/64/630684164.db2.gz LWKNVRKYTSJIEG-UHFFFAOYSA-N 0 0 273.336 2.674 20 10 CFCDRN CC[C@H]([NH2+]CCCn1ccnn1)c1cccc(Cl)c1[O-] ZINC000806158775 630775909 /nfs/dbraw/zinc/77/59/09/630775909.db2.gz RAAJTCCJGXCCTI-ZDUSSCGKSA-N 0 0 294.786 2.768 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](F)C2)cc1 ZINC000836243325 630778874 /nfs/dbraw/zinc/77/88/74/630778874.db2.gz WRNGSQLEOFCFCZ-AWEZNQCLSA-N 0 0 293.386 2.786 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](F)C1 ZINC000836243529 630778897 /nfs/dbraw/zinc/77/88/97/630778897.db2.gz BTNFVOJBLOOJFN-AWEZNQCLSA-N 0 0 291.370 2.540 20 10 CFCDRN C[C@@H]([NH2+]CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806171623 630779579 /nfs/dbraw/zinc/77/95/79/630779579.db2.gz PQXIALWGAABXRD-MRVPVSSYSA-N 0 0 277.195 2.911 20 10 CFCDRN CCc1nnc(CN2CCCc3cc(OC)ccc32)o1 ZINC000807287540 630874399 /nfs/dbraw/zinc/87/43/99/630874399.db2.gz KLGVLQZLKANBNG-UHFFFAOYSA-N 0 0 273.336 2.593 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(C2CC2)n1 ZINC000836777115 630880709 /nfs/dbraw/zinc/88/07/09/630880709.db2.gz FXIIFMQHVIMJSQ-UHFFFAOYSA-N 0 0 282.343 2.903 20 10 CFCDRN CC(=O)C(=O)CSc1nccn1-c1ccc(C)cc1C ZINC000808016149 630942602 /nfs/dbraw/zinc/94/26/02/630942602.db2.gz WZKVOQCTUKULJM-UHFFFAOYSA-N 0 0 288.372 2.739 20 10 CFCDRN CC(=O)C(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000808022095 630943019 /nfs/dbraw/zinc/94/30/19/630943019.db2.gz GUTZNTJOLNSPBK-UHFFFAOYSA-N 0 0 296.735 2.640 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)o1 ZINC000808095390 630950113 /nfs/dbraw/zinc/95/01/13/630950113.db2.gz DLRQRAWCVBXIQV-UHFFFAOYSA-N 0 0 280.320 2.709 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C1CC1)C1CCC1 ZINC000837250560 630986320 /nfs/dbraw/zinc/98/63/20/630986320.db2.gz UVRZQXQNZFWOJK-OOYWPUHTSA-N 0 0 287.359 2.806 20 10 CFCDRN CC(C)n1cc(CN[C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000808405497 630987552 /nfs/dbraw/zinc/98/75/52/630987552.db2.gz FFXYFPLOIYVTKK-CYBMUJFWSA-N 0 0 287.411 2.776 20 10 CFCDRN CCc1cc(C(=O)NCc2ccc(N)cc2)oc1CC ZINC000837303437 630993356 /nfs/dbraw/zinc/99/33/56/630993356.db2.gz OUGPSPJFOYYWKZ-UHFFFAOYSA-N 0 0 272.348 2.917 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1cc2cccc(C)c2s1 ZINC000808629673 631020531 /nfs/dbraw/zinc/02/05/31/631020531.db2.gz KGMZWCSLKGEBAQ-UHFFFAOYSA-N 0 0 276.313 2.525 20 10 CFCDRN CC[C@H](CC(F)F)C(=O)NCc1ccccc1O ZINC000837480130 631043138 /nfs/dbraw/zinc/04/31/38/631043138.db2.gz FOBMTTYDWLMPDS-SECBINFHSA-N 0 0 257.280 2.690 20 10 CFCDRN CC(C)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000837482520 631044422 /nfs/dbraw/zinc/04/44/22/631044422.db2.gz VMBPIJCTWVNZRX-UHFFFAOYSA-N 0 0 279.380 2.973 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2[nH]ccc2C2CC2)c1 ZINC000837485811 631045983 /nfs/dbraw/zinc/04/59/83/631045983.db2.gz QZYAPDWTZAQORJ-UHFFFAOYSA-N 0 0 286.331 2.536 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C1CCC1 ZINC000837521007 631053751 /nfs/dbraw/zinc/05/37/51/631053751.db2.gz RMQBAUSDYBOVBB-MNOVXSKESA-N 0 0 277.364 2.581 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1CC(F)(F)C1 ZINC000837587247 631077345 /nfs/dbraw/zinc/07/73/45/631077345.db2.gz JUXYSMPAVYFTOD-DUXPYHPUSA-N 0 0 284.258 2.700 20 10 CFCDRN CC[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000837854387 631143246 /nfs/dbraw/zinc/14/32/46/631143246.db2.gz ZFYPBVYBOJOZIX-CMPLNLGQSA-N 0 0 292.331 2.650 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000840763903 631220615 /nfs/dbraw/zinc/22/06/15/631220615.db2.gz LGGXSGUDZJCXLA-JBLDHEPKSA-N 0 0 280.324 2.519 20 10 CFCDRN CCn1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000840836365 631236013 /nfs/dbraw/zinc/23/60/13/631236013.db2.gz BNUARSPITKGWAS-CYBMUJFWSA-N 0 0 272.396 2.820 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1[O-] ZINC000840886962 631252192 /nfs/dbraw/zinc/25/21/92/631252192.db2.gz PGSGNXPBHZIVHR-DYLAAIIWSA-N 0 0 289.297 2.731 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc(F)cc(F)c1[O-] ZINC000840895821 631254505 /nfs/dbraw/zinc/25/45/05/631254505.db2.gz XQEKQYBTPIYKGH-NHCYSSNCSA-N 0 0 285.334 2.872 20 10 CFCDRN CC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840910961 631256690 /nfs/dbraw/zinc/25/66/90/631256690.db2.gz YNPXAFGFIRPYEE-LLVKDONJSA-N 0 0 269.772 2.965 20 10 CFCDRN Cc1cccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000809696819 631266406 /nfs/dbraw/zinc/26/64/06/631266406.db2.gz 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/nfs/dbraw/zinc/37/68/68/631376868.db2.gz ZIEAOTKTURQDAN-VIFPVBQESA-N 0 0 290.392 2.959 20 10 CFCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296791 631377070 /nfs/dbraw/zinc/37/70/70/631377070.db2.gz YYLHISDARCMDCW-HUUCEWRRSA-N 0 0 291.395 2.984 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H](CO)CC2CCCC2)cc1 ZINC000841296656 631377452 /nfs/dbraw/zinc/37/74/52/631377452.db2.gz WNDVTRZDDRDBAR-ZDUSSCGKSA-N 0 0 291.395 2.579 20 10 CFCDRN CC(C)[C@@]1(CO)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298807 631377658 /nfs/dbraw/zinc/37/76/58/631377658.db2.gz HJQLVSFYZOELCB-INIZCTEOSA-N 0 0 291.395 2.531 20 10 CFCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000841298784 631378055 /nfs/dbraw/zinc/37/80/55/631378055.db2.gz GLCUSTWTZXVHRO-KBPBESRZSA-N 0 0 289.379 2.690 20 10 CFCDRN COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841298726 631378274 /nfs/dbraw/zinc/37/82/74/631378274.db2.gz CXIJLEILFAMWLH-JTQLQIEISA-N 0 0 265.357 2.594 20 10 CFCDRN CO[C@]1(C)C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841300932 631379073 /nfs/dbraw/zinc/37/90/73/631379073.db2.gz XEOALKCEAQWEBV-CZUORRHYSA-N 0 0 291.395 2.936 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)OCCCF ZINC000841490189 631416642 /nfs/dbraw/zinc/41/66/42/631416642.db2.gz NVBQREMYUBLWSR-UHFFFAOYSA-N 0 0 268.332 2.647 20 10 CFCDRN CCc1nocc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000841496511 631417261 /nfs/dbraw/zinc/41/72/61/631417261.db2.gz PMSGBTWRRNMEHN-YHYXMXQVSA-N 0 0 280.374 2.601 20 10 CFCDRN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841749774 631464173 /nfs/dbraw/zinc/46/41/73/631464173.db2.gz QHOWCGOAKLYRGZ-NOZJJQNGSA-N 0 0 269.772 2.857 20 10 CFCDRN C[C@H]([NH2+]CCCCCO)c1ccc(Cl)cc1[O-] ZINC000841752097 631465459 /nfs/dbraw/zinc/46/54/59/631465459.db2.gz LWLXLKRLGWSZPF-JTQLQIEISA-N 0 0 257.761 2.859 20 10 CFCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755343 631467128 /nfs/dbraw/zinc/46/71/28/631467128.db2.gz ZFLFLKJZUMGZQC-GUBZILKMSA-N 0 0 257.761 2.856 20 10 CFCDRN C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)cc1[O-] ZINC000841758831 631468195 /nfs/dbraw/zinc/46/81/95/631468195.db2.gz VIVNJVIXMVWKJR-SECBINFHSA-N 0 0 265.744 2.662 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC000841807927 631473343 /nfs/dbraw/zinc/47/33/43/631473343.db2.gz GHYFNHQGYKDMKM-CHWSQXEVSA-N 0 0 278.396 2.732 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]C[C@H](C)CC(=O)[O-])cc1F ZINC000841814260 631474723 /nfs/dbraw/zinc/47/47/23/631474723.db2.gz VAFUBFXXYWXNGS-GFCCVEGCSA-N 0 0 296.386 2.872 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000841953603 631495356 /nfs/dbraw/zinc/49/53/56/631495356.db2.gz ATGFWRKBNLEDPB-HOCLYGCPSA-N 0 0 287.407 2.785 20 10 CFCDRN CC1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955293 631495986 /nfs/dbraw/zinc/49/59/86/631495986.db2.gz YODKTJJANHLTKN-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN C[C@@H](c1ccncc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956334 631496781 /nfs/dbraw/zinc/49/67/81/631496781.db2.gz CMTNXOPMYDPEHJ-ZDUSSCGKSA-N 0 0 298.390 2.609 20 10 CFCDRN CCN(CCC1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841960306 631497298 /nfs/dbraw/zinc/49/72/98/631497298.db2.gz LSLRCDQDIGWZFK-UHFFFAOYSA-N 0 0 275.396 2.643 20 10 CFCDRN CN(Cc1cccs1)C(=O)NCCc1ccc(N)cc1 ZINC000841963094 631497534 /nfs/dbraw/zinc/49/75/34/631497534.db2.gz WGIXQRHZEFYIFV-UHFFFAOYSA-N 0 0 289.404 2.714 20 10 CFCDRN CCC[C@@H](C)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841961682 631497615 /nfs/dbraw/zinc/49/76/15/631497615.db2.gz GOBVDPBZRDKXND-GFCCVEGCSA-N 0 0 263.385 2.641 20 10 CFCDRN CC[C@H](CN(CC)c1ccc(OC)c(OC)c1)OC ZINC000842151287 631554115 /nfs/dbraw/zinc/55/41/15/631554115.db2.gz AOJXAOGAVMTSQF-CYBMUJFWSA-N 0 0 267.369 2.955 20 10 CFCDRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)[C@@H](C)O ZINC000842227933 631567717 /nfs/dbraw/zinc/56/77/17/631567717.db2.gz ZGTVUTUCDBZDBN-CZUORRHYSA-N 0 0 292.423 2.556 20 10 CFCDRN COc1cc(Cl)cc(CNc2ccc(CO)cn2)c1O ZINC000811501429 631572381 /nfs/dbraw/zinc/57/23/81/631572381.db2.gz LPFJSTXIJMHVBG-UHFFFAOYSA-N 0 0 294.738 2.554 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)[C@@H](C)O ZINC000842264968 631572811 /nfs/dbraw/zinc/57/28/11/631572811.db2.gz PFRHXSSYEQOQOL-HIFRSBDPSA-N 0 0 293.407 2.928 20 10 CFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CCC1(F)F ZINC000811600156 631584671 /nfs/dbraw/zinc/58/46/71/631584671.db2.gz GFNRFPWBYXKBIO-SSDOTTSWSA-N 0 0 261.293 2.571 20 10 CFCDRN CCc1nn(C)cc1/C=C1\c2cc(C)ccc2N(C)C1=O ZINC000811700679 631608691 /nfs/dbraw/zinc/60/86/91/631608691.db2.gz PILDVWOCWFHLAL-NTEUORMPSA-N 0 0 281.359 2.808 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C(C)=O)C(C)C)s1 ZINC000842580374 631670302 /nfs/dbraw/zinc/67/03/02/631670302.db2.gz FYOUKGNVLLQNPD-VIFPVBQESA-N 0 0 273.379 2.635 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCc1ccccn1 ZINC000104853229 631695526 /nfs/dbraw/zinc/69/55/26/631695526.db2.gz WZJVYWBBPGQTPY-UHFFFAOYSA-N 0 0 284.359 2.769 20 10 CFCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000842727820 631718509 /nfs/dbraw/zinc/71/85/09/631718509.db2.gz VYNAIMDVWJPSGZ-MRVPVSSYSA-N 0 0 274.267 2.681 20 10 CFCDRN CC[C@H](NCc1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000842771989 631736468 /nfs/dbraw/zinc/73/64/68/631736468.db2.gz RRDOZYAAGRWDSJ-LBPRGKRZSA-N 0 0 295.379 2.611 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)[O-] ZINC000843037707 631808587 /nfs/dbraw/zinc/80/85/87/631808587.db2.gz BAJHZXMKCAOJDZ-ZDUSSCGKSA-N 0 0 282.359 2.625 20 10 CFCDRN C[C@@H]1CC[C@H](CCc2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159008 631870363 /nfs/dbraw/zinc/87/03/63/631870363.db2.gz KLXMEIBRZNOIOQ-BXUZGUMPSA-N 0 0 287.363 2.743 20 10 CFCDRN C[C@H]1CC[C@@H](CCc2nc(Cc3ccc(N)cc3)no2)O1 ZINC000843159009 631870578 /nfs/dbraw/zinc/87/05/78/631870578.db2.gz KLXMEIBRZNOIOQ-FZMZJTMJSA-N 0 0 287.363 2.743 20 10 CFCDRN Nc1ccc(Cc2noc(-c3conc3C3CC3)n2)cc1 ZINC000843160248 631871099 /nfs/dbraw/zinc/87/10/99/631871099.db2.gz HCCVBMLGAFQHJC-UHFFFAOYSA-N 0 0 282.303 2.775 20 10 CFCDRN Nc1ccc(Cc2noc(CC[C@@H]3CCCCO3)n2)cc1 ZINC000843159540 631871298 /nfs/dbraw/zinc/87/12/98/631871298.db2.gz SLELHOUYCHSDHH-AWEZNQCLSA-N 0 0 287.363 2.744 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+]CCCC(=O)[O-])cc1F ZINC000813354946 631911122 /nfs/dbraw/zinc/91/11/22/631911122.db2.gz PTJLGZMHOCBQEL-UHFFFAOYSA-N 0 0 282.359 2.626 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc3c(c1)CCN3C)N2 ZINC000843272673 631914743 /nfs/dbraw/zinc/91/47/43/631914743.db2.gz MNDZWCXGBYUIPF-KRWDZBQOSA-N 0 0 293.370 2.841 20 10 CFCDRN COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1 ZINC000813586536 631935225 /nfs/dbraw/zinc/93/52/25/631935225.db2.gz QGDQHLGQWPXAGV-UHFFFAOYSA-N 0 0 285.347 2.546 20 10 CFCDRN COc1ccc(O)c(CN2CCN(C)c3ccccc32)c1 ZINC000156025477 650040928 /nfs/dbraw/zinc/04/09/28/650040928.db2.gz VSUHZXBKYFVSKC-UHFFFAOYSA-N 0 0 284.359 2.857 20 10 CFCDRN CC[C@H](C)C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC ZINC000843415284 631947478 /nfs/dbraw/zinc/94/74/78/631947478.db2.gz IMFYAKGKRUEVLA-SWLSCSKDSA-N 0 0 291.391 2.689 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843433776 631958480 /nfs/dbraw/zinc/95/84/80/631958480.db2.gz CUNAYOOCXRXQOO-YUSALJHKSA-N 0 0 292.335 2.587 20 10 CFCDRN CC(C)(C)[C@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F ZINC000843445928 631961415 /nfs/dbraw/zinc/96/14/15/631961415.db2.gz KMXPKNLZPQKCJD-LBPRGKRZSA-N 0 0 288.313 2.905 20 10 CFCDRN CC[C@H](C)CONC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000813825831 631963258 /nfs/dbraw/zinc/96/32/58/631963258.db2.gz LNQPYXJTJDKOBW-WDEREUQCSA-N 0 0 296.367 2.739 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2(C(F)F)CC2)cc1F ZINC000843538968 631980595 /nfs/dbraw/zinc/98/05/95/631980595.db2.gz OSDBPHBPIWOLOD-UHFFFAOYSA-N 0 0 286.297 2.553 20 10 CFCDRN Cc1nnsc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000814175350 632023822 /nfs/dbraw/zinc/02/38/22/632023822.db2.gz SNISKBARWDWMKW-UHFFFAOYSA-N 0 0 287.747 2.634 20 10 CFCDRN CCc1noc(NCc2cccc(Br)c2O)n1 ZINC000814257581 632047686 /nfs/dbraw/zinc/04/76/86/632047686.db2.gz OZGZXDRTAPIWCA-UHFFFAOYSA-N 0 0 298.140 2.712 20 10 CFCDRN Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000814320519 632052524 /nfs/dbraw/zinc/05/25/24/632052524.db2.gz UKYJEZRSKXRTPL-JTQLQIEISA-N 0 0 287.363 2.848 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@H]1C1CC1 ZINC000843831110 632063961 /nfs/dbraw/zinc/06/39/61/632063961.db2.gz MEHGZKNMALBONQ-KBPBESRZSA-N 0 0 289.375 2.930 20 10 CFCDRN CC1=C(C)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000843832441 632064139 /nfs/dbraw/zinc/06/41/39/632064139.db2.gz MMUVIDNBEMCHTM-AWEZNQCLSA-N 0 0 289.375 2.893 20 10 CFCDRN CN(C)c1ccc(CNc2ccnc3cccnc32)cc1F ZINC000814833302 632134340 /nfs/dbraw/zinc/13/43/40/632134340.db2.gz BZKIYYZILYCOFV-UHFFFAOYSA-N 0 0 296.349 2.869 20 10 CFCDRN CN(Cc1ccccc1O)c1ccnc2cccnc21 ZINC000814868393 632143696 /nfs/dbraw/zinc/14/36/96/632143696.db2.gz QKZQVXXTYIIYDB-UHFFFAOYSA-N 0 0 265.316 2.972 20 10 CFCDRN CC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844281533 632154454 /nfs/dbraw/zinc/15/44/54/632154454.db2.gz MUJLETUJCMGASZ-MRVPVSSYSA-N 0 0 256.733 2.643 20 10 CFCDRN COc1ccc(C[NH2+]C[C@H](CC2CC2)C(=O)[O-])cc1C ZINC000844294316 632158334 /nfs/dbraw/zinc/15/83/34/632158334.db2.gz VFSRIJFQGDWAFM-AWEZNQCLSA-N 0 0 277.364 2.594 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C(C)C)n2)cc1 ZINC000844353463 632177984 /nfs/dbraw/zinc/17/79/84/632177984.db2.gz OTCRTLZETYVKGK-UHFFFAOYSA-N 0 0 261.325 2.838 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000844353722 632178071 /nfs/dbraw/zinc/17/80/71/632178071.db2.gz XMISQWAQUDJFNN-KBPBESRZSA-N 0 0 290.407 2.636 20 10 CFCDRN CCC[C@@](C)(NCc1ccc(N(C)C)c(C)c1)C(=O)OC ZINC000815051897 632191628 /nfs/dbraw/zinc/19/16/28/632191628.db2.gz VWTXUIDWLDHXDD-QGZVFWFLSA-N 0 0 292.423 2.882 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000815153824 632219203 /nfs/dbraw/zinc/21/92/03/632219203.db2.gz YTEPVEHPBUZAOH-LBPRGKRZSA-N 0 0 273.735 2.699 20 10 CFCDRN C[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815583188 632292611 /nfs/dbraw/zinc/29/26/11/632292611.db2.gz YWGNHAGKMFMJKO-RKDXNWHRSA-N 0 0 277.286 2.833 20 10 CFCDRN CO[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000815797082 632321858 /nfs/dbraw/zinc/32/18/58/632321858.db2.gz ZXGLDCYAQGGOJZ-GXTWGEPZSA-N 0 0 277.364 2.556 20 10 CFCDRN COc1cccc2c1[C@@H](C(=O)NCc1ccccc1O)CC2 ZINC000815833688 632325385 /nfs/dbraw/zinc/32/53/85/632325385.db2.gz ZKCSZGBAJWWRRV-AWEZNQCLSA-N 0 0 297.354 2.747 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2sccc2F)c1 ZINC000815835053 632325407 /nfs/dbraw/zinc/32/54/07/632325407.db2.gz JAHVAYVKCHYWDT-UHFFFAOYSA-N 0 0 281.308 2.531 20 10 CFCDRN CC(F)(F)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845226031 632389999 /nfs/dbraw/zinc/38/99/99/632389999.db2.gz ZECVBZJFBDXXTN-UHFFFAOYSA-N 0 0 292.713 2.890 20 10 CFCDRN CC(C)(C)c1cnc(SC[C@@H]2CCC(=O)N2)s1 ZINC000845309299 632408086 /nfs/dbraw/zinc/40/80/86/632408086.db2.gz LJRGTBPDJJARKO-QMMMGPOBSA-N 0 0 270.423 2.811 20 10 CFCDRN Oc1c(C[N@H+]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816481260 632466942 /nfs/dbraw/zinc/46/69/42/632466942.db2.gz OETDGZHNIBXXIT-CQSZACIVSA-N 0 0 257.333 2.502 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCOCC1 ZINC000816493760 632470179 /nfs/dbraw/zinc/47/01/79/632470179.db2.gz MROKKMYMZUCTBH-UHFFFAOYSA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000816504249 632473743 /nfs/dbraw/zinc/47/37/43/632473743.db2.gz FMSRHPUWUFUBQD-GFCCVEGCSA-N 0 0 298.789 2.853 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCCn1ccnc1 ZINC000816537413 632480760 /nfs/dbraw/zinc/48/07/60/632480760.db2.gz FAEWAJMPWAESKV-UHFFFAOYSA-N 0 0 297.761 2.951 20 10 CFCDRN CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816550840 632481466 /nfs/dbraw/zinc/48/14/66/632481466.db2.gz FACAZLTXORBPOT-ZDUSSCGKSA-N 0 0 275.751 2.681 20 10 CFCDRN COCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816545679 632481607 /nfs/dbraw/zinc/48/16/07/632481607.db2.gz BPJNEBRXLSWFHU-UHFFFAOYSA-N 0 0 261.724 2.699 20 10 CFCDRN CC[C@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553009 632483384 /nfs/dbraw/zinc/48/33/84/632483384.db2.gz FKGLMNMCZLTMRT-SECBINFHSA-N 0 0 261.724 2.699 20 10 CFCDRN COC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1O ZINC000816597640 632491848 /nfs/dbraw/zinc/49/18/48/632491848.db2.gz AATGPBGLBBJEOU-NSHDSACASA-N 0 0 273.332 2.539 20 10 CFCDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000816616580 632496127 /nfs/dbraw/zinc/49/61/27/632496127.db2.gz AJAILYHGUJUKHV-JTQLQIEISA-N 0 0 273.735 2.796 20 10 CFCDRN Cc1nccnc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816651318 632505060 /nfs/dbraw/zinc/50/50/60/632505060.db2.gz CNGWZXMFXPGGNJ-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000816660951 632507360 /nfs/dbraw/zinc/50/73/60/632507360.db2.gz WAVRVFVWALVBGW-LKFCYVNXSA-N 0 0 287.762 2.825 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\OCC ZINC000816914295 632534654 /nfs/dbraw/zinc/53/46/54/632534654.db2.gz LTSGXIWZBCCKIV-LUAWRHEFSA-N 0 0 263.337 2.681 20 10 CFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)c1O ZINC000845833999 632577557 /nfs/dbraw/zinc/57/75/57/632577557.db2.gz PICDPKOFTVWYAS-UONOGXRCSA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc(N(C)Cc2nn(C)cc2Cl)cc1OC ZINC000817274249 632591806 /nfs/dbraw/zinc/59/18/06/632591806.db2.gz HSKNUTLOKQRRJD-UHFFFAOYSA-N 0 0 295.770 2.727 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)OCCCF)cc1 ZINC000845987903 632608803 /nfs/dbraw/zinc/60/88/03/632608803.db2.gz PJEYSCPDSMIRFE-UHFFFAOYSA-N 0 0 298.358 2.559 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000817423365 632629158 /nfs/dbraw/zinc/62/91/58/632629158.db2.gz HIDQEZYXOHNKAJ-ZNMIVQPWSA-N 0 0 272.392 2.805 20 10 CFCDRN COc1cccc([C@@H](C)N[C@@H](C)c2nnc(C)s2)c1O ZINC000846166561 632651722 /nfs/dbraw/zinc/65/17/22/632651722.db2.gz ZKKMZYXWKSZUHT-BDAKNGLRSA-N 0 0 293.392 2.973 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CC2(F)F)cc1 ZINC000817516341 632654880 /nfs/dbraw/zinc/65/48/80/632654880.db2.gz VXCMZHMKCNUPIU-AWEZNQCLSA-N 0 0 282.334 2.756 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc(F)ccc1O ZINC000846206430 632659580 /nfs/dbraw/zinc/65/95/80/632659580.db2.gz YRUDVNQITKORTE-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN CC[C@@H]([NH2+][C@H](CO)CCF)c1cccc(Cl)c1[O-] ZINC000846207763 632660775 /nfs/dbraw/zinc/66/07/75/632660775.db2.gz DPLNYYYMFMWJMV-JOYOIKCWSA-N 0 0 275.751 2.807 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817558837 632662222 /nfs/dbraw/zinc/66/22/22/632662222.db2.gz HXVPNYLUPDIGMI-FMKGYKFTSA-N 0 0 289.375 2.581 20 10 CFCDRN COC1([C@@H](C)[NH2+][C@H](C)c2ccccc2O)CCOCC1 ZINC000817588022 632672435 /nfs/dbraw/zinc/67/24/35/632672435.db2.gz LGRZJWLWESVVIH-CHWSQXEVSA-N 0 0 279.380 2.627 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000846273880 632679772 /nfs/dbraw/zinc/67/97/72/632679772.db2.gz FJSTWGOVECVMHG-KRWDZBQOSA-N 0 0 290.407 2.829 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000846280614 632682473 /nfs/dbraw/zinc/68/24/73/632682473.db2.gz OBYTZDRRLCOVGF-BBRMVZONSA-N 0 0 290.407 2.828 20 10 CFCDRN CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000846280616 632682649 /nfs/dbraw/zinc/68/26/49/632682649.db2.gz OBYTZDRRLCOVGF-CZUORRHYSA-N 0 0 290.407 2.828 20 10 CFCDRN Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])ccc1N(C)C ZINC000846281396 632683828 /nfs/dbraw/zinc/68/38/28/632683828.db2.gz XKHCAFCYRUZGFH-LRDDRELGSA-N 0 0 290.407 2.746 20 10 CFCDRN COc1ccsc1C(=O)N(C)Cc1ccccc1O ZINC000106284284 632694597 /nfs/dbraw/zinc/69/45/97/632694597.db2.gz AOJJIVHLCUWOEQ-UHFFFAOYSA-N 0 0 277.345 2.735 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCn3cccn3)cc12 ZINC000817760953 632709185 /nfs/dbraw/zinc/70/91/85/632709185.db2.gz INMIXOYIKOEJTD-UHFFFAOYSA-N 0 0 297.358 2.987 20 10 CFCDRN CCn1nncc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817761146 632709580 /nfs/dbraw/zinc/70/95/80/632709580.db2.gz IRHKSWJJIDSADJ-UHFFFAOYSA-N 0 0 298.346 2.626 20 10 CFCDRN Cc1cc(CNC(=O)N(C)Cc2ccccc2O)cc(C)n1 ZINC000817786628 632711046 /nfs/dbraw/zinc/71/10/46/632711046.db2.gz XHXUQHNAGZNKHJ-UHFFFAOYSA-N 0 0 299.374 2.746 20 10 CFCDRN COCCC[C@@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472607 632715054 /nfs/dbraw/zinc/71/50/54/632715054.db2.gz BNCIIWLDLLMDNW-SNVBAGLBSA-N 0 0 285.771 2.725 20 10 CFCDRN CC(Cl)(Cl)C(=O)NCc1cc(Cl)ccc1O ZINC000846473963 632715823 /nfs/dbraw/zinc/71/58/23/632715823.db2.gz PAWILEPEJPCPAV-UHFFFAOYSA-N 0 0 282.554 2.856 20 10 CFCDRN CC[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1 ZINC000846474250 632715955 /nfs/dbraw/zinc/71/59/55/632715955.db2.gz SNBWNOQYXFQXPO-ZWNOBZJWSA-N 0 0 297.782 2.867 20 10 CFCDRN CC1(OCC(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846475764 632716231 /nfs/dbraw/zinc/71/62/31/632716231.db2.gz IMBKUMGLKLTCAM-UHFFFAOYSA-N 0 0 283.755 2.621 20 10 CFCDRN C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CC1(F)F ZINC000846475323 632716235 /nfs/dbraw/zinc/71/62/35/632716235.db2.gz CCVBCIAHHLCILN-LLVKDONJSA-N 0 0 275.682 2.707 20 10 CFCDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475501 632716481 /nfs/dbraw/zinc/71/64/81/632716481.db2.gz HOJGJIXBSCPLLK-ZANVPECISA-N 0 0 295.766 2.667 20 10 CFCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475319 632716597 /nfs/dbraw/zinc/71/65/97/632716597.db2.gz BYWZMPKWAVYWCK-OCCSQVGLSA-N 0 0 297.782 2.867 20 10 CFCDRN O=C(CCCn1cccc1)NCc1cc(Cl)ccc1O ZINC000846476651 632717175 /nfs/dbraw/zinc/71/71/75/632717175.db2.gz OALPJKNLHIWPRQ-UHFFFAOYSA-N 0 0 292.766 2.944 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC12CCC2 ZINC000846477402 632717484 /nfs/dbraw/zinc/71/74/84/632717484.db2.gz TXNFCNKFCHIXOE-LLVKDONJSA-N 0 0 265.740 2.852 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC1(Cl)Cl ZINC000846480399 632717880 /nfs/dbraw/zinc/71/78/80/632717880.db2.gz VYCAWELAVLWURL-MRVPVSSYSA-N 0 0 294.565 2.856 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1ncoc1C1CC1 ZINC000846478037 632718089 /nfs/dbraw/zinc/71/80/89/632718089.db2.gz YKLQZJUYQPYUNK-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN CC[NH2+]CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951141 632751858 /nfs/dbraw/zinc/75/18/58/632751858.db2.gz AFDIKDSBGMPUNI-MRVPVSSYSA-N 0 0 277.195 2.959 20 10 CFCDRN C[C@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)cc1 ZINC000817966408 632765172 /nfs/dbraw/zinc/76/51/72/632765172.db2.gz NEDIQNTWCWPBJM-ZDUSSCGKSA-N 0 0 297.393 2.922 20 10 CFCDRN Cc1cc(Cl)cc([C@H](C)NCC(F)(F)CN)c1O ZINC000817967866 632766081 /nfs/dbraw/zinc/76/60/81/632766081.db2.gz MOVPFZRWUNRNIP-QMMMGPOBSA-N 0 0 278.730 2.599 20 10 CFCDRN CC(C)(C)C1CC(NC(=O)c2cccc(O)c2O)C1 ZINC000818137459 632804214 /nfs/dbraw/zinc/80/42/14/632804214.db2.gz UGRHGGAVEFZJPS-UHFFFAOYSA-N 0 0 263.337 2.652 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000818357703 632837457 /nfs/dbraw/zinc/83/74/57/632837457.db2.gz HYANYWDXRUXRPE-WHGOUJPWSA-N 0 0 275.270 2.585 20 10 CFCDRN C[C@@H]1CC/C(=C/C(=O)NCCc2ccc(N)cc2)C1 ZINC000818545045 632863671 /nfs/dbraw/zinc/86/36/71/632863671.db2.gz CJKLEZNKUCNCQN-POKNLVKOSA-N 0 0 258.365 2.674 20 10 CFCDRN CSC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991825 632871411 /nfs/dbraw/zinc/87/14/11/632871411.db2.gz HNYQYPAFLUJLJB-CYBMUJFWSA-N 0 0 294.445 2.970 20 10 CFCDRN CCOC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991403 632871697 /nfs/dbraw/zinc/87/16/97/632871697.db2.gz FATZSFSUAOZHBC-AWEZNQCLSA-N 0 0 292.404 2.644 20 10 CFCDRN CCOC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991413 632871875 /nfs/dbraw/zinc/87/18/75/632871875.db2.gz FATZSFSUAOZHBC-CQSZACIVSA-N 0 0 292.404 2.644 20 10 CFCDRN COC(CN(C)c1ccc(-c2nccs2)cc1)OC ZINC000846997131 632873874 /nfs/dbraw/zinc/87/38/74/632873874.db2.gz UOVBZFOZSGANPM-UHFFFAOYSA-N 0 0 278.377 2.865 20 10 CFCDRN CN(C)c1ccc(/C=C/C[NH2+]CCC(C)(C)C(=O)[O-])cc1 ZINC000818630431 632884394 /nfs/dbraw/zinc/88/43/94/632884394.db2.gz CEWMLTQRFFQKKQ-AATRIKPKSA-N 0 0 290.407 2.856 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000818654379 632886462 /nfs/dbraw/zinc/88/64/62/632886462.db2.gz BWJORYLOSJBKBO-HOCLYGCPSA-N 0 0 287.407 2.547 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2(C)CC=CC2)cc1 ZINC000847276045 632967110 /nfs/dbraw/zinc/96/71/10/632967110.db2.gz DBCPOGVAOLVKJS-UHFFFAOYSA-N 0 0 273.380 2.661 20 10 CFCDRN CC[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165789 632993562 /nfs/dbraw/zinc/99/35/62/632993562.db2.gz ZYWQQWYMNPBUMJ-VXGBXAGGSA-N 0 0 290.363 2.591 20 10 CFCDRN CCCCCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165899 632994123 /nfs/dbraw/zinc/99/41/23/632994123.db2.gz GWNYVECMBLFMDY-UHFFFAOYSA-N 0 0 290.363 2.737 20 10 CFCDRN CCC(CC)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165495 632994247 /nfs/dbraw/zinc/99/42/47/632994247.db2.gz AEIKFNRPQZSESX-UHFFFAOYSA-N 0 0 290.363 2.593 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC(C)C1 ZINC000856863122 635874765 /nfs/dbraw/zinc/87/47/65/635874765.db2.gz BRJJDCHJLMHPHS-UHFFFAOYSA-N 0 0 289.423 2.906 20 10 CFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CCCCO1 ZINC000848391960 633247417 /nfs/dbraw/zinc/24/74/17/633247417.db2.gz RPTYKIPJKMXWIP-QWRGUYRKSA-N 0 0 269.366 2.531 20 10 CFCDRN COCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000848564062 633290195 /nfs/dbraw/zinc/29/01/95/633290195.db2.gz AWPLFKIKFCSJBY-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN CCc1cccc(CNc2ccc(CC(=O)NC)cc2)c1O ZINC000848892365 633380286 /nfs/dbraw/zinc/38/02/86/633380286.db2.gz UHRMZTYOZCSSSQ-UHFFFAOYSA-N 0 0 298.386 2.855 20 10 CFCDRN Cc1noc([C@@H](C)N(C)Cc2cc(C)c(C)cc2O)n1 ZINC000848925943 633409220 /nfs/dbraw/zinc/40/92/20/633409220.db2.gz OCMQFCAGJAZXMU-LLVKDONJSA-N 0 0 275.352 2.893 20 10 CFCDRN Cc1noc(CN(C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848927577 633409607 /nfs/dbraw/zinc/40/96/07/633409607.db2.gz IJPUWPVDMNSYBX-AATRIKPKSA-N 0 0 286.379 2.589 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cc1F ZINC000849231897 633586930 /nfs/dbraw/zinc/58/69/30/633586930.db2.gz JYWALTCCILHFHT-JOCQHMNTSA-N 0 0 294.370 2.625 20 10 CFCDRN COc1cc(CNc2n[nH]c(C)n2)c(O)c(C(C)(C)C)c1 ZINC000849345511 633624245 /nfs/dbraw/zinc/62/42/45/633624245.db2.gz PHDQGROBVLPQAE-UHFFFAOYSA-N 0 0 290.367 2.737 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC1CC=CC1 ZINC000849745418 633699600 /nfs/dbraw/zinc/69/96/00/633699600.db2.gz RHLZACVJYOEMDO-VURMDHGXSA-N 0 0 260.289 2.620 20 10 CFCDRN O=C1OCCN1CCCSc1ncc(Cl)s1 ZINC000849999390 633786016 /nfs/dbraw/zinc/78/60/16/633786016.db2.gz QKPNTPMKYJDYQT-UHFFFAOYSA-N 0 0 278.786 2.731 20 10 CFCDRN CC(C)OC[C@H](O)CSc1ncc(Cl)s1 ZINC000850000292 633786680 /nfs/dbraw/zinc/78/66/80/633786680.db2.gz PLEJBBOVSVNUHI-ZETCQYMHSA-N 0 0 267.803 2.675 20 10 CFCDRN COCc1nc(CSc2ncc(Cl)s2)no1 ZINC000850000559 633787007 /nfs/dbraw/zinc/78/70/07/633787007.db2.gz ZIMHAAFDXDLEMK-UHFFFAOYSA-N 0 0 277.758 2.618 20 10 CFCDRN CCn1ncnc1CSc1ncc(Cl)s1 ZINC000850000190 633787207 /nfs/dbraw/zinc/78/72/07/633787207.db2.gz LWUPGEAQXSPBBQ-UHFFFAOYSA-N 0 0 260.775 2.700 20 10 CFCDRN O=C1O[C@@H](CSc2ncc(Cl)s2)CN1C1CC1 ZINC000850001892 633787490 /nfs/dbraw/zinc/78/74/90/633787490.db2.gz OGBFVHYLEDWAHZ-SSDOTTSWSA-N 0 0 290.797 2.872 20 10 CFCDRN CC[C@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850351261 633950941 /nfs/dbraw/zinc/95/09/41/633950941.db2.gz YTESBXRRNGQFFP-CYBMUJFWSA-N 0 0 294.351 2.595 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388083 633972580 /nfs/dbraw/zinc/97/25/80/633972580.db2.gz GYEZKGAOFCWDFT-NWDGAFQWSA-N 0 0 285.746 2.578 20 10 CFCDRN Cc1cn(C)nc1NC/C=C\c1ccc(N(C)C)cc1 ZINC000850419848 633984545 /nfs/dbraw/zinc/98/45/45/633984545.db2.gz HZJQRMKDGVHQPY-WAYWQWQTSA-N 0 0 270.380 2.920 20 10 CFCDRN C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)cc1O ZINC000850499076 634018784 /nfs/dbraw/zinc/01/87/84/634018784.db2.gz JEUMNFSVCHGFTF-AUTRQRHGSA-N 0 0 292.770 2.994 20 10 CFCDRN C[C@@H]([NH2+]C/C=C/CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509904 634023453 /nfs/dbraw/zinc/02/34/53/634023453.db2.gz SVIRFUVVTYRJKN-UFUPEUMYSA-N 0 0 276.163 2.898 20 10 CFCDRN CCn1cc(CN[C@H](C)c2ccc(Cl)cc2O)nn1 ZINC000850522689 634030010 /nfs/dbraw/zinc/03/00/10/634030010.db2.gz WQUFEGBLUCQABD-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850526205 634034110 /nfs/dbraw/zinc/03/41/10/634034110.db2.gz UEFOXHKUDRESKP-GHMZBOCLSA-N 0 0 292.335 2.663 20 10 CFCDRN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850526207 634034792 /nfs/dbraw/zinc/03/47/92/634034792.db2.gz UEFOXHKUDRESKP-QWRGUYRKSA-N 0 0 292.335 2.663 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850533865 634039671 /nfs/dbraw/zinc/03/96/71/634039671.db2.gz CRPDQOMQEGRELO-WZRBSPASSA-N 0 0 294.351 2.909 20 10 CFCDRN COc1cc(NCC=Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000858230590 636159798 /nfs/dbraw/zinc/15/97/98/636159798.db2.gz DDIBKHYKKFWIMO-PLNGDYQASA-N 0 0 272.352 2.610 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(F)cc(F)c1[O-] ZINC000850546229 634047201 /nfs/dbraw/zinc/04/72/01/634047201.db2.gz XVBZUULNCPWGTA-KOLCDFICSA-N 0 0 285.334 2.730 20 10 CFCDRN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850579055 634059504 /nfs/dbraw/zinc/05/95/04/634059504.db2.gz RKEVXNCITCVFSP-BWZBUEFSSA-N 0 0 276.163 2.873 20 10 CFCDRN COCc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000109600487 634130497 /nfs/dbraw/zinc/13/04/97/634130497.db2.gz LGUZGJCMYWQWCP-UHFFFAOYSA-N 0 0 273.267 2.813 20 10 CFCDRN CCOc1cc(NCc2cccc(OC)c2O)nc(C)n1 ZINC000853259032 634954171 /nfs/dbraw/zinc/95/41/71/634954171.db2.gz MRSARDXZDKDKMF-UHFFFAOYSA-N 0 0 289.335 2.510 20 10 CFCDRN CN(Cc1noc2c1CCCC2)Cc1ccccc1O ZINC000111234983 634962698 /nfs/dbraw/zinc/96/26/98/634962698.db2.gz JOJRQSGNBKAMRB-UHFFFAOYSA-N 0 0 272.348 2.891 20 10 CFCDRN CC(C)CCc1noc(CN(C)Cc2ccccc2O)n1 ZINC000111235576 634963465 /nfs/dbraw/zinc/96/34/65/634963465.db2.gz CFJBIZZHZBAKIQ-UHFFFAOYSA-N 0 0 289.379 2.996 20 10 CFCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@](C)(C(F)F)O1 ZINC000853321249 634967820 /nfs/dbraw/zinc/96/78/20/634967820.db2.gz MCKDTNCFRWFCPL-OTYXRUKQSA-N 0 0 299.321 2.545 20 10 CFCDRN CCNc1nccnc1NCCCSc1nccs1 ZINC000853326473 634970049 /nfs/dbraw/zinc/97/00/49/634970049.db2.gz BFBFDUOUSGETLW-UHFFFAOYSA-N 0 0 295.437 2.959 20 10 CFCDRN COc1ccc(N2CC[C@@H](Nc3nc(C)cnc3C)C2)cc1 ZINC000853758908 635096929 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CC(C)(C(=O)N1Cc2cccc(O)c2C1)C(C)(F)F ZINC000871204221 641244033 /nfs/dbraw/zinc/24/40/33/641244033.db2.gz BTWLNDMVWZGRAU-UHFFFAOYSA-N 0 0 269.291 2.916 20 10 CFCDRN O=C(c1n[nH]c2c1CCCCC2)N1Cc2cccc(O)c2C1 ZINC000871205256 641244100 /nfs/dbraw/zinc/24/41/00/641244100.db2.gz XPKYJYDAOYBFQE-UHFFFAOYSA-N 0 0 297.358 2.540 20 10 CFCDRN O=C(c1occ2c1CCC2)N1Cc2cccc(O)c2C1 ZINC000871204277 641244115 /nfs/dbraw/zinc/24/41/15/641244115.db2.gz BXTPKUKDBVCBQO-UHFFFAOYSA-N 0 0 269.300 2.630 20 10 CFCDRN O=C(C1CC2(CCC2)C1)N1Cc2cccc(O)c2C1 ZINC000871205476 641244172 /nfs/dbraw/zinc/24/41/72/641244172.db2.gz FJPSGMZSPQNXNF-UHFFFAOYSA-N 0 0 257.333 2.815 20 10 CFCDRN O=C(C[C@H]1OCc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871206163 641244714 /nfs/dbraw/zinc/24/47/14/641244714.db2.gz UKIJEEHZFGXYHH-QGZVFWFLSA-N 0 0 295.338 2.896 20 10 CFCDRN CC(C)c1[nH]ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871205544 641245084 /nfs/dbraw/zinc/24/50/84/641245084.db2.gz VBPZEJBIQUQYBS-UHFFFAOYSA-N 0 0 270.332 3.000 20 10 CFCDRN Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1C ZINC000871206088 641245552 /nfs/dbraw/zinc/24/55/52/641245552.db2.gz RACHQXYWUYBRFN-UHFFFAOYSA-N 0 0 268.316 2.560 20 10 CFCDRN O=C([C@H]1[C@@H]2c3ccccc3C[C@H]12)N1Cc2cccc(O)c2C1 ZINC000871207768 641246563 /nfs/dbraw/zinc/24/65/63/641246563.db2.gz SXPBFDARVGIHEU-BMGDILEWSA-N 0 0 291.350 2.820 20 10 CFCDRN CC(C)Nc1ccccc1NC[C@H]1CCCS(=O)(=O)C1 ZINC000871845921 641479070 /nfs/dbraw/zinc/47/90/70/641479070.db2.gz NMMJMRMIENEKCI-CYBMUJFWSA-N 0 0 296.436 2.744 20 10 CFCDRN CC(C)Nc1ccccc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000871845922 641479295 /nfs/dbraw/zinc/47/92/95/641479295.db2.gz NMMJMRMIENEKCI-ZDUSSCGKSA-N 0 0 296.436 2.744 20 10 CFCDRN Cc1nonc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000872136324 641665220 /nfs/dbraw/zinc/66/52/20/641665220.db2.gz MIVKIRRSOPRBOR-JTQLQIEISA-N 0 0 287.363 2.813 20 10 CFCDRN C[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)[C@H](C)O1 ZINC000872170621 641690017 /nfs/dbraw/zinc/69/00/17/641690017.db2.gz JSEUDLACIMHLDJ-GBIKHYSHSA-N 0 0 273.336 2.524 20 10 CFCDRN CC(C)CCO[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000019385565 641706746 /nfs/dbraw/zinc/70/67/46/641706746.db2.gz VWZLTZAGWIWUOD-LLVKDONJSA-N 0 0 250.342 2.659 20 10 CFCDRN COCC(C)(C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000873120447 642017809 /nfs/dbraw/zinc/01/78/09/642017809.db2.gz ZRRYQHNZQONHKS-GFCCVEGCSA-N 0 0 294.395 2.815 20 10 CFCDRN O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1=CC(=O)CS1 ZINC000873358630 642151192 /nfs/dbraw/zinc/15/11/92/642151192.db2.gz BBERNUBZAOAMBL-LSJOCFKGSA-N 0 0 268.334 2.568 20 10 CFCDRN COC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019904915 642195448 /nfs/dbraw/zinc/19/54/48/642195448.db2.gz RBOQXOURFBUHDC-ZETCQYMHSA-N 0 0 264.152 2.824 20 10 CFCDRN C[NH+](C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000124538266 642214703 /nfs/dbraw/zinc/21/47/03/642214703.db2.gz AARREABUKHOVRH-UHFFFAOYSA-N 0 0 268.788 2.572 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1nccs1 ZINC000124755099 642311099 /nfs/dbraw/zinc/31/10/99/642311099.db2.gz YTASLNMNTAWPSO-UHFFFAOYSA-N 0 0 268.769 2.834 20 10 CFCDRN O=C(NCc1ccccc1O)C1(c2ccccc2)CC1 ZINC000082285359 650740890 /nfs/dbraw/zinc/74/08/90/650740890.db2.gz GITLSTJYNGKXNT-UHFFFAOYSA-N 0 0 267.328 2.740 20 10 CFCDRN CCOc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 ZINC000020327187 642360522 /nfs/dbraw/zinc/36/05/22/642360522.db2.gz VHMHHSPXFOIGOV-UHFFFAOYSA-N 0 0 286.331 2.685 20 10 CFCDRN COc1c(C)cnc(CN(C)c2ccc(N)cc2)c1C ZINC000020374524 642371619 /nfs/dbraw/zinc/37/16/19/642371619.db2.gz BLNYMMCRNZSYDL-UHFFFAOYSA-N 0 0 271.364 2.926 20 10 CFCDRN O=C(Nc1ccc2c(n1)CCCC2)C1=CC(=O)CS1 ZINC000874671350 642447340 /nfs/dbraw/zinc/44/73/40/642447340.db2.gz LVNAFTMNRGVEIP-UHFFFAOYSA-N 0 0 274.345 2.980 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CCCc3cccc(F)c32)cn1 ZINC000874973779 642569867 /nfs/dbraw/zinc/56/98/67/642569867.db2.gz XPOCJDFSKGHIAC-FPLPWBNLSA-N 0 0 285.322 2.552 20 10 CFCDRN CC(C)CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875070093 642582207 /nfs/dbraw/zinc/58/22/07/642582207.db2.gz VDSNHSAZLOCFLS-UHFFFAOYSA-N 0 0 262.353 2.854 20 10 CFCDRN C[C@H]1CCC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875244261 642599305 /nfs/dbraw/zinc/59/93/05/642599305.db2.gz UPDAWAMOYHKLDI-GWCFXTLKSA-N 0 0 260.337 2.606 20 10 CFCDRN C[C@H](NC(=O)NCC1CCSCC1)c1ccccc1O ZINC000875283127 642602995 /nfs/dbraw/zinc/60/29/95/642602995.db2.gz VZCRUFRCGIYBBE-NSHDSACASA-N 0 0 294.420 2.896 20 10 CFCDRN C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000875287615 642603453 /nfs/dbraw/zinc/60/34/53/642603453.db2.gz WBHWUOOHNVTFJL-NSHDSACASA-N 0 0 274.364 2.996 20 10 CFCDRN CCC(CC)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875306510 642605958 /nfs/dbraw/zinc/60/59/58/642605958.db2.gz CDDRMLFVGFXCLZ-UHFFFAOYSA-N 0 0 262.353 2.854 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)N1Cc2cccc(O)c2C1 ZINC000875737105 642675625 /nfs/dbraw/zinc/67/56/25/642675625.db2.gz AVOBZNBZZRRFAJ-DYEKYZERSA-N 0 0 286.375 2.854 20 10 CFCDRN COc1cccc(CNC(=O)NCCCCC2CC2)c1O ZINC000876169438 642785841 /nfs/dbraw/zinc/78/58/41/642785841.db2.gz ATLSUNRSWMHUBK-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(F)c(F)c1 ZINC000125918363 642848247 /nfs/dbraw/zinc/84/82/47/642848247.db2.gz VMIRGAWEZIGRCZ-UHFFFAOYSA-N 0 0 291.297 2.872 20 10 CFCDRN CCO[C@H](C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000876503890 642896056 /nfs/dbraw/zinc/89/60/56/642896056.db2.gz GSSKJSGBLAPSMF-AWEZNQCLSA-N 0 0 262.353 2.803 20 10 CFCDRN Nc1ccc(NC(=O)CC2CCN(CC(F)F)CC2)cc1 ZINC000876504574 642896224 /nfs/dbraw/zinc/89/62/24/642896224.db2.gz POXJBWDVMHVURY-UHFFFAOYSA-N 0 0 297.349 2.575 20 10 CFCDRN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)S1 ZINC000876642939 642955132 /nfs/dbraw/zinc/95/51/32/642955132.db2.gz PPTOXYRKJYEDSG-DTORHVGOSA-N 0 0 273.348 2.996 20 10 CFCDRN CCn1cc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876741111 642988999 /nfs/dbraw/zinc/98/89/99/642988999.db2.gz LVEOASLBTIGUFV-UHFFFAOYSA-N 0 0 281.306 2.519 20 10 CFCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000126188816 643028431 /nfs/dbraw/zinc/02/84/31/643028431.db2.gz TYICXSSFGYDASF-SNVBAGLBSA-N 0 0 257.289 2.589 20 10 CFCDRN Cc1cccc(O)c1CNc1cccc([C@H]2CNC(=O)C2)c1 ZINC000876871478 643044168 /nfs/dbraw/zinc/04/41/68/643044168.db2.gz TURSRRDTQPGTFA-CQSZACIVSA-N 0 0 296.370 2.916 20 10 CFCDRN CCc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])on1 ZINC000876874897 643045089 /nfs/dbraw/zinc/04/50/89/643045089.db2.gz NLUHCOIYUBZNHU-UHFFFAOYSA-N 0 0 268.263 2.511 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876960388 643082372 /nfs/dbraw/zinc/08/23/72/643082372.db2.gz XWTMLMPZABASCI-AWEZNQCLSA-N 0 0 293.313 2.802 20 10 CFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCC(C)CC1 ZINC000876988553 643095218 /nfs/dbraw/zinc/09/52/18/643095218.db2.gz GGYIQZHAGANMMW-GFCCVEGCSA-N 0 0 298.377 2.880 20 10 CFCDRN Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877027246 643109396 /nfs/dbraw/zinc/10/93/96/643109396.db2.gz MAKBKCZEYXVKES-CQSZACIVSA-N 0 0 293.313 2.802 20 10 CFCDRN CN(C(=O)c1cccnc1C1CC1)c1ccc(N)cc1 ZINC000877075122 643137036 /nfs/dbraw/zinc/13/70/36/643137036.db2.gz ZMYNRULGUPWJHD-UHFFFAOYSA-N 0 0 267.332 2.818 20 10 CFCDRN CC(C)Oc1cncc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877075489 643137648 /nfs/dbraw/zinc/13/76/48/643137648.db2.gz DHXHXXGMRIHBLZ-UHFFFAOYSA-N 0 0 285.347 2.728 20 10 CFCDRN CN(C(=O)c1noc2c1CCCCC2)c1ccc(N)cc1 ZINC000877076301 643138294 /nfs/dbraw/zinc/13/82/94/643138294.db2.gz PKVRYLNMINNKCN-UHFFFAOYSA-N 0 0 285.347 2.802 20 10 CFCDRN CN(C(=O)c1cc(C(C)(C)C)[nH]n1)c1ccc(N)cc1 ZINC000877078613 643139182 /nfs/dbraw/zinc/13/91/82/643139182.db2.gz WTRCNYDYBOVUFQ-UHFFFAOYSA-N 0 0 272.352 2.566 20 10 CFCDRN C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCCC[C@H]1O ZINC000877081920 643140205 /nfs/dbraw/zinc/14/02/05/643140205.db2.gz TXZRCCJICRTYJN-IUODEOHRSA-N 0 0 285.334 2.701 20 10 CFCDRN Cc1ccc(CNc2cnn(CC3CC3)c2)c(O)c1 ZINC000877122256 643161920 /nfs/dbraw/zinc/16/19/20/643161920.db2.gz NDPBRBHAIARKLY-UHFFFAOYSA-N 0 0 257.337 2.919 20 10 CFCDRN Cc1ccc(CNc2ccc3c(c2)C(=O)N(C)CC3)c(O)c1 ZINC000877160305 643182991 /nfs/dbraw/zinc/18/29/91/643182991.db2.gz VXBDFKYFRDWSHS-UHFFFAOYSA-N 0 0 296.370 2.941 20 10 CFCDRN O=C(Nc1ccc2ncccc2c1)c1cccc(O)c1O ZINC000126386129 643189683 /nfs/dbraw/zinc/18/96/83/643189683.db2.gz CJCSWBHVMXFSQV-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN CC[C@@](C)(CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000877180213 643191471 /nfs/dbraw/zinc/19/14/71/643191471.db2.gz REXMDUHSAUHPTL-INIZCTEOSA-N 0 0 297.395 2.964 20 10 CFCDRN Cc1cccc2c1C[C@H](C(=O)N[C@H](C)c1ccccc1O)N2 ZINC000877256360 643215026 /nfs/dbraw/zinc/21/50/26/643215026.db2.gz TUWPPXURRKSZPU-MLGOLLRUSA-N 0 0 296.370 2.915 20 10 CFCDRN CC1(C)C(CNC(=O)c2cccc(O)c2O)C1(C)C ZINC000126474757 643239370 /nfs/dbraw/zinc/23/93/70/643239370.db2.gz NBPPMIRTACNBAJ-UHFFFAOYSA-N 0 0 263.337 2.510 20 10 CFCDRN COc1ccc(N(C)CCC[C@H]2CCO2)cc1OC ZINC000877342534 643242504 /nfs/dbraw/zinc/24/25/04/643242504.db2.gz ONJYMFZWAUUIJA-ZDUSSCGKSA-N 0 0 265.353 2.709 20 10 CFCDRN CC1(C)CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000126498434 643255420 /nfs/dbraw/zinc/25/54/20/643255420.db2.gz RYMQCKVDRLPDKJ-SNVBAGLBSA-N 0 0 263.337 2.796 20 10 CFCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)c1cccs1 ZINC000877471728 643290580 /nfs/dbraw/zinc/29/05/80/643290580.db2.gz YEEQXZXYLSWFMR-AWEZNQCLSA-N 0 0 291.372 2.766 20 10 CFCDRN Cc1ccc(CNc2cc(C)cc(OCCO)c2)c(O)c1 ZINC000877483538 643299388 /nfs/dbraw/zinc/29/93/88/643299388.db2.gz NLYIZUDWUXLDTC-UHFFFAOYSA-N 0 0 287.359 2.992 20 10 CFCDRN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877487172 643301494 /nfs/dbraw/zinc/30/14/94/643301494.db2.gz VVGTVYBPSRTVRB-PWSUYJOCSA-N 0 0 285.334 2.796 20 10 CFCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC(CO)CC1 ZINC000877531523 643334599 /nfs/dbraw/zinc/33/45/99/643334599.db2.gz ONPZGJFZPOXXQT-UHFFFAOYSA-N 0 0 285.334 2.653 20 10 CFCDRN CCC[C@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877538060 643341105 /nfs/dbraw/zinc/34/11/05/643341105.db2.gz UMBDWEFPKNQEIA-HNNXBMFYSA-N 0 0 285.334 2.655 20 10 CFCDRN Cc1cccc(O)c1CN1C[C@H](CO)c2ccccc21 ZINC000877550415 643351261 /nfs/dbraw/zinc/35/12/61/643351261.db2.gz PGAZVPOUSHWQAG-CYBMUJFWSA-N 0 0 269.344 2.797 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC000877565740 643365063 /nfs/dbraw/zinc/36/50/63/643365063.db2.gz PBNOIKQGDXEFOL-GFCCVEGCSA-N 0 0 285.334 2.917 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCSC[C@@H]2C2CC2)ccc(F)c1F ZINC000877568400 643367961 /nfs/dbraw/zinc/36/79/61/643367961.db2.gz NCFWTCUTGCJGBG-GFCCVEGCSA-N 0 0 285.359 2.998 20 10 CFCDRN CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877571232 643369751 /nfs/dbraw/zinc/36/97/51/643369751.db2.gz ZMSDEYYYDWGPGH-VIFPVBQESA-N 0 0 281.306 2.738 20 10 CFCDRN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877574822 643372887 /nfs/dbraw/zinc/37/28/87/643372887.db2.gz WPXFLHMPCCSJFN-VXGBXAGGSA-N 0 0 271.307 2.718 20 10 CFCDRN COc1ccc(N(C)C[C@@H](OC)C2CCOCC2)cc1 ZINC000877609116 643396280 /nfs/dbraw/zinc/39/62/80/643396280.db2.gz HTEKUZXKJAKFAR-MRXNPFEDSA-N 0 0 279.380 2.573 20 10 CFCDRN Cc1cccc(O)c1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000877617960 643403659 /nfs/dbraw/zinc/40/36/59/643403659.db2.gz AVEDKUQXBDRRII-ZDUSSCGKSA-N 0 0 256.349 2.816 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000877654848 643435734 /nfs/dbraw/zinc/43/57/34/643435734.db2.gz WTWYPZZCRNYIEW-UHFFFAOYSA-N 0 0 279.286 2.938 20 10 CFCDRN CN(C)c1ccc(CNCc2ncc[nH]2)c(C(F)(F)F)c1 ZINC000877672457 643445984 /nfs/dbraw/zinc/44/59/84/643445984.db2.gz FICVNFZOEMWUKX-UHFFFAOYSA-N 0 0 298.312 2.784 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@]23C[C@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000877685787 643454970 /nfs/dbraw/zinc/45/49/70/643454970.db2.gz GVWVSDSMBNTBAM-IAQYHMDHSA-N 0 0 292.335 2.731 20 10 CFCDRN CCn1nc(C)c(CN2Cc3cccc(O)c3C2)c1C ZINC000877703438 643469654 /nfs/dbraw/zinc/46/96/54/643469654.db2.gz JLMXPVMLWBQOBT-UHFFFAOYSA-N 0 0 271.364 2.741 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCC23CCOCC3)ccc(F)c1F ZINC000877728664 643489205 /nfs/dbraw/zinc/48/92/05/643489205.db2.gz RNALZPRAGQIQJO-GFCCVEGCSA-N 0 0 297.345 2.967 20 10 CFCDRN Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000877828913 643594765 /nfs/dbraw/zinc/59/47/65/643594765.db2.gz SWFOZWZTXKTBJT-JTQLQIEISA-N 0 0 277.755 2.995 20 10 CFCDRN CC(C)(O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877836352 643604018 /nfs/dbraw/zinc/60/40/18/643604018.db2.gz VEKZDTFNWZSKAT-NSHDSACASA-N 0 0 269.772 2.638 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cccc(F)c1O)N2 ZINC000877862654 643611480 /nfs/dbraw/zinc/61/14/80/643611480.db2.gz MEFLWBUOTXBAHI-CQSZACIVSA-N 0 0 272.279 2.694 20 10 CFCDRN COc1cccc([C@H]2Nc3cc(C)ccc3C(=O)N2)c1O ZINC000877865032 643612581 /nfs/dbraw/zinc/61/25/81/643612581.db2.gz WGTHLELTMCBIFP-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN COc1ccc(N(C)Cc2nocc2C)cc1OC ZINC000877996254 643686025 /nfs/dbraw/zinc/68/60/25/643686025.db2.gz PSCWTHQEJMROCK-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@H]2C)cc1OC ZINC000877995647 643686285 /nfs/dbraw/zinc/68/62/85/643686285.db2.gz IZJROESTSLWJCZ-NWDGAFQWSA-N 0 0 265.353 2.565 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ncsc1C1CC1 ZINC000878276542 643818483 /nfs/dbraw/zinc/81/84/83/643818483.db2.gz DCFGVBOSYFTCAK-UHFFFAOYSA-N 0 0 288.372 2.998 20 10 CFCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccn2)cc1 ZINC000878511229 643921072 /nfs/dbraw/zinc/92/10/72/643921072.db2.gz BQUGSYUQOZRTFH-UHFFFAOYSA-N 0 0 299.374 2.944 20 10 CFCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCc3ncnn32)cc1 ZINC000878513246 643922749 /nfs/dbraw/zinc/92/27/49/643922749.db2.gz YKUGAEVJWIUSSF-CQSZACIVSA-N 0 0 286.379 2.689 20 10 CFCDRN CCCn1cc(NC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC000878821417 644039605 /nfs/dbraw/zinc/03/96/05/644039605.db2.gz LQNCNDZVLBJQRL-LLVKDONJSA-N 0 0 288.351 2.881 20 10 CFCDRN C[C@@H](NC(=O)Nc1ccc(C2CC2)nn1)c1ccccc1O ZINC000878948137 644084637 /nfs/dbraw/zinc/08/46/37/644084637.db2.gz BRLZYZQIGHBOMC-SNVBAGLBSA-N 0 0 298.346 2.942 20 10 CFCDRN CCOc1ccc(N(CC(=O)NC2CC2)CC2CC2)cc1 ZINC000879119482 644148870 /nfs/dbraw/zinc/14/88/70/644148870.db2.gz PBNCNAFELINSQM-UHFFFAOYSA-N 0 0 288.391 2.580 20 10 CFCDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000879208193 644176003 /nfs/dbraw/zinc/17/60/03/644176003.db2.gz UYDLPBFWUDUOHF-SUMWQHHRSA-N 0 0 291.391 2.973 20 10 CFCDRN CC(C)c1noc(CN[C@H](C)c2ccccc2O)n1 ZINC000879647924 644361385 /nfs/dbraw/zinc/36/13/85/644361385.db2.gz QXZXPDWNFBKMKE-SNVBAGLBSA-N 0 0 261.325 2.749 20 10 CFCDRN C[C@H](NCc1nnc(C2CC2)o1)c1ccccc1O ZINC000879651678 644363906 /nfs/dbraw/zinc/36/39/06/644363906.db2.gz GUYPNZYRLAEZGI-VIFPVBQESA-N 0 0 259.309 2.503 20 10 CFCDRN CCCC[C@H](N[C@@H](C)c1ccccc1O)C(=O)OC ZINC000879652346 644366672 /nfs/dbraw/zinc/36/66/72/644366672.db2.gz YRBIYCKTSMOBMB-AAEUAGOBSA-N 0 0 265.353 2.775 20 10 CFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)OC)c2C)cc1 ZINC000247956416 650919775 /nfs/dbraw/zinc/91/97/75/650919775.db2.gz OHYGFRKBIYULGI-UHFFFAOYSA-N 0 0 288.347 2.736 20 10 CFCDRN CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000093535973 650942487 /nfs/dbraw/zinc/94/24/87/650942487.db2.gz KEZNQASJFMYDTF-ZDUSSCGKSA-N 0 0 297.782 2.962 20 10 CFCDRN CCC(CC)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881197255 644922470 /nfs/dbraw/zinc/92/24/70/644922470.db2.gz VRELRYLBFUXTJJ-UHFFFAOYSA-N 0 0 274.368 2.876 20 10 CFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1cccc2ncccc21 ZINC000128895242 644937866 /nfs/dbraw/zinc/93/78/66/644937866.db2.gz PPZLGYQYNZVOMB-CMDGGOBGSA-N 0 0 292.342 2.645 20 10 CFCDRN CN(C)c1ccc(Cn2cc(C3CCC(=O)CC3)nn2)cc1 ZINC000881272070 644940235 /nfs/dbraw/zinc/94/02/35/644940235.db2.gz KZYATRBBFSWGKE-UHFFFAOYSA-N 0 0 298.390 2.619 20 10 CFCDRN CC/C=C/CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881306014 644947893 /nfs/dbraw/zinc/94/78/93/644947893.db2.gz FZYKVSBQHUGYJQ-ONEGZZNKSA-N 0 0 272.352 2.796 20 10 CFCDRN O=C(C[C@@H]1C[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000881428135 644971017 /nfs/dbraw/zinc/97/10/17/644971017.db2.gz DBFABEVCDWAUNF-STQMWFEESA-N 0 0 257.333 2.671 20 10 CFCDRN O=Cc1cnc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC000881856078 645140940 /nfs/dbraw/zinc/14/09/40/645140940.db2.gz FDROPVFXYIQSPT-UHFFFAOYSA-N 0 0 296.374 2.892 20 10 CFCDRN COc1ccc(N2CCC(Nc3ncncc3C)CC2)cc1 ZINC000881906728 645151731 /nfs/dbraw/zinc/15/17/31/645151731.db2.gz YSGZIIMZCZXLNS-UHFFFAOYSA-N 0 0 298.390 2.875 20 10 CFCDRN Cc1ncnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000882171624 645228766 /nfs/dbraw/zinc/22/87/66/645228766.db2.gz XVUKIEKNHACKTQ-VIFPVBQESA-N 0 0 273.336 2.548 20 10 CFCDRN CC[C@H](C)[C@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000252413417 651003471 /nfs/dbraw/zinc/00/34/71/651003471.db2.gz PGUVJYQIHKNRGH-RWSFTLGLSA-N 0 0 295.379 2.639 20 10 CFCDRN O=S(=O)(CCC1CCCC1)Nc1ccc(O)cc1 ZINC000882659328 645403823 /nfs/dbraw/zinc/40/38/23/645403823.db2.gz ZYFDNDTUIZLNDF-UHFFFAOYSA-N 0 0 269.366 2.714 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cncc(F)c1 ZINC000130316727 645481667 /nfs/dbraw/zinc/48/16/67/645481667.db2.gz FXRGWHYVNDYEPP-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882911704 645508044 /nfs/dbraw/zinc/50/80/44/645508044.db2.gz AUCMPLUGZJLFKJ-OAHLLOKOSA-N 0 0 293.313 2.802 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CCO)c1cccs1 ZINC000883017097 645564338 /nfs/dbraw/zinc/56/43/38/645564338.db2.gz WZQSZQMGFXHKHI-LBPRGKRZSA-N 0 0 299.342 2.945 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CCO)c1cccs1 ZINC000883017096 645564770 /nfs/dbraw/zinc/56/47/70/645564770.db2.gz WZQSZQMGFXHKHI-GFCCVEGCSA-N 0 0 299.342 2.945 20 10 CFCDRN CCc1cc(NCc2cc(F)cc(F)c2O)n(C)n1 ZINC000883035827 645574184 /nfs/dbraw/zinc/57/41/84/645574184.db2.gz QKIMNSDOJRHKBJ-UHFFFAOYSA-N 0 0 267.279 2.578 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000883048570 645582457 /nfs/dbraw/zinc/58/24/57/645582457.db2.gz RCNHERCBRXAEHP-LBPRGKRZSA-N 0 0 279.290 2.561 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C2CCC2)c1 ZINC000130858819 645584703 /nfs/dbraw/zinc/58/47/03/645584703.db2.gz DIRWSBNIACVWAI-GHMZBOCLSA-N 0 0 292.379 2.950 20 10 CFCDRN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883075722 645593903 /nfs/dbraw/zinc/59/39/03/645593903.db2.gz KFXQHSHZYXCPBF-AWEZNQCLSA-N 0 0 287.350 2.803 20 10 CFCDRN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883078728 645594784 /nfs/dbraw/zinc/59/47/84/645594784.db2.gz BCTPKLKIQSDYQJ-NOZJJQNGSA-N 0 0 297.301 2.865 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2C=CCC2)cc1 ZINC000883077460 645595327 /nfs/dbraw/zinc/59/53/27/645595327.db2.gz KZSPDALYFDRULN-CYBMUJFWSA-N 0 0 273.380 2.518 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000883146834 645625964 /nfs/dbraw/zinc/62/59/64/645625964.db2.gz ATULSJCIAHMNGO-NWDGAFQWSA-N 0 0 271.307 2.718 20 10 CFCDRN Cc1cc(O)c(CNc2cc(CO)ccn2)cc1C ZINC000883147634 645626810 /nfs/dbraw/zinc/62/68/10/645626810.db2.gz BXHSZZHPKLPCIE-UHFFFAOYSA-N 0 0 258.321 2.508 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000883157886 645631387 /nfs/dbraw/zinc/63/13/87/645631387.db2.gz NNQQHSVRROBYQV-HNNXBMFYSA-N 0 0 297.345 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000883161943 645632669 /nfs/dbraw/zinc/63/26/69/645632669.db2.gz FZMHPJUOPATEIJ-LSDHHAIUSA-N 0 0 296.361 2.777 20 10 CFCDRN C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883182813 645645843 /nfs/dbraw/zinc/64/58/43/645645843.db2.gz LLMFWYAIWUBSEW-MEBBXXQBSA-N 0 0 293.313 2.882 20 10 CFCDRN C[C@H](O)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883182812 645645960 /nfs/dbraw/zinc/64/59/60/645645960.db2.gz LLMFWYAIWUBSEW-BONVTDFDSA-N 0 0 293.313 2.882 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000883198565 645658606 /nfs/dbraw/zinc/65/86/06/645658606.db2.gz MBTNAVNARBRYOC-FZMZJTMJSA-N 0 0 297.345 2.823 20 10 CFCDRN C[C@H]([NH2+]CCc1ccns1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883247424 645695156 /nfs/dbraw/zinc/69/51/56/645695156.db2.gz JTARSUBJYWTHLO-VIFPVBQESA-N 0 0 293.348 2.650 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CCN1CC)c1ccc(F)cc1[O-] ZINC000883355187 645760038 /nfs/dbraw/zinc/76/00/38/645760038.db2.gz LBQRCIPUGKXQOZ-TZMCWYRMSA-N 0 0 266.360 2.666 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@@]2(C)CC2(C)C)c1 ZINC000883412112 645807708 /nfs/dbraw/zinc/80/77/08/645807708.db2.gz QTSHUOPQFHGBDG-MRXNPFEDSA-N 0 0 292.379 2.636 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](CF)C1 ZINC000883421070 645815904 /nfs/dbraw/zinc/81/59/04/645815904.db2.gz AXRIZPPTNOCWJS-CYBMUJFWSA-N 0 0 293.386 2.562 20 10 CFCDRN COc1cccc(CN2CCc3ccccc32)c1O ZINC000131797593 645816471 /nfs/dbraw/zinc/81/64/71/645816471.db2.gz ZSGANRWAWRQTOJ-UHFFFAOYSA-N 0 0 255.317 2.964 20 10 CFCDRN C[C@@H](NC(=O)N1CC[C@@H](CF)C1)c1ccc(N(C)C)cc1 ZINC000883582682 645898447 /nfs/dbraw/zinc/89/84/47/645898447.db2.gz ZQMLELXTQYDNHQ-OLZOCXBDSA-N 0 0 293.386 2.815 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C=CCC2)c1 ZINC000883779881 645968521 /nfs/dbraw/zinc/96/85/21/645968521.db2.gz GPCYWECRZQWJRC-RYUDHWBXSA-N 0 0 290.363 2.727 20 10 CFCDRN CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000133613738 646196098 /nfs/dbraw/zinc/19/60/98/646196098.db2.gz PYQXUPHGSKMEJP-UHFFFAOYSA-N 0 0 259.349 2.687 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccccc1OC(F)F ZINC000133763620 646224153 /nfs/dbraw/zinc/22/41/53/646224153.db2.gz WZIMDGFXLFOUSO-UHFFFAOYSA-N 0 0 293.269 2.924 20 10 CFCDRN O=C(NCc1ccccc1O)c1cccc2cccnc21 ZINC000133774586 646225550 /nfs/dbraw/zinc/22/55/50/646225550.db2.gz QAMOHCRTQOAJIA-UHFFFAOYSA-N 0 0 278.311 2.870 20 10 CFCDRN CCc1ccc(C(=O)NCc2ccccc2O)s1 ZINC000133771113 646225660 /nfs/dbraw/zinc/22/56/60/646225660.db2.gz SOZCCJPELBPCMZ-UHFFFAOYSA-N 0 0 261.346 2.946 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(Br)o1 ZINC000133784658 646227876 /nfs/dbraw/zinc/22/78/76/646227876.db2.gz GUBCBSQKQSEZEQ-UHFFFAOYSA-N 0 0 296.120 2.678 20 10 CFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccnc1 ZINC000133915075 646254213 /nfs/dbraw/zinc/25/42/13/646254213.db2.gz VQOHDMCPFZMGLO-UHFFFAOYSA-N 0 0 294.358 2.780 20 10 CFCDRN CC(C)OCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000134127465 646289124 /nfs/dbraw/zinc/28/91/24/646289124.db2.gz YYVIXMYRHAVBMP-UHFFFAOYSA-N 0 0 288.185 2.669 20 10 CFCDRN CN(C(=O)CC[C@H]1CC(C)(C)CO1)c1ccc(N)cc1 ZINC000884442200 646360079 /nfs/dbraw/zinc/36/00/79/646360079.db2.gz YXVFJZYRGBWSOO-AWEZNQCLSA-N 0 0 276.380 2.827 20 10 CFCDRN CC[S@](=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134735193 646381101 /nfs/dbraw/zinc/38/11/01/646381101.db2.gz YLEAVLGEFXGSKR-QGZVFWFLSA-N 0 0 296.219 2.557 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1C[C@@]12CCOC2 ZINC000885946000 646778784 /nfs/dbraw/zinc/77/87/84/646778784.db2.gz BEUXCHROHCFHJH-RHSMWYFYSA-N 0 0 273.376 2.874 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)c(OC)c1 ZINC000886084416 646859644 /nfs/dbraw/zinc/85/96/44/646859644.db2.gz XSEVRRSWDUWIKE-MLGOLLRUSA-N 0 0 277.364 2.567 20 10 CFCDRN COc1ccc(N(C)C[C@H]2C[C@]23CCOC3)c(OC)c1 ZINC000886084417 646859887 /nfs/dbraw/zinc/85/98/87/646859887.db2.gz XSEVRRSWDUWIKE-WBMJQRKESA-N 0 0 277.364 2.567 20 10 CFCDRN CCN1CCC[C@H]1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491963 647018128 /nfs/dbraw/zinc/01/81/28/647018128.db2.gz XVLYAGFTHGSCSN-NEPJUHHUSA-N 0 0 266.360 2.666 20 10 CFCDRN COc1ncccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886501424 647021049 /nfs/dbraw/zinc/02/10/49/647021049.db2.gz KATWWCHFNLZZGJ-JTQLQIEISA-N 0 0 276.311 2.786 20 10 CFCDRN C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1c([O-])cccc1F ZINC000886502951 647022310 /nfs/dbraw/zinc/02/23/10/647022310.db2.gz VPFQISONLSOOFO-LLVKDONJSA-N 0 0 289.354 2.843 20 10 CFCDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526926 647029767 /nfs/dbraw/zinc/02/97/67/647029767.db2.gz VEZWQSILFGSYMW-FIXISWKDSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886530931 647031649 /nfs/dbraw/zinc/03/16/49/647031649.db2.gz STICBSCEAGYEOJ-ZWNOBZJWSA-N 0 0 279.311 2.817 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCOC1 ZINC000886532480 647033222 /nfs/dbraw/zinc/03/32/22/647033222.db2.gz JRFJZRDRLYMDPX-VWYCJHECSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]CCNc1ccccn1)c1c([O-])cccc1F ZINC000886532722 647033254 /nfs/dbraw/zinc/03/32/54/647033254.db2.gz NOOAVFUFDXPZED-NSHDSACASA-N 0 0 275.327 2.689 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532590 647033315 /nfs/dbraw/zinc/03/33/15/647033315.db2.gz LQQHQPIFNPMGSU-JQWIXIFHSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1c([O-])cccc1F ZINC000886535136 647035123 /nfs/dbraw/zinc/03/51/23/647035123.db2.gz VJQHELTZRWBJNX-RYUDHWBXSA-N 0 0 266.360 2.524 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886538417 647036354 /nfs/dbraw/zinc/03/63/54/647036354.db2.gz HMFGAWXBLWCZPX-GHMZBOCLSA-N 0 0 255.333 2.591 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C1CCOCC1 ZINC000886540492 647037668 /nfs/dbraw/zinc/03/76/68/647037668.db2.gz FXEZIMQZTWMEQQ-MNOVXSKESA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886543377 647039652 /nfs/dbraw/zinc/03/96/52/647039652.db2.gz NTCIQDDGNDDQHU-IJLUTSLNSA-N 0 0 267.344 2.997 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)[nH]n1 ZINC000886551141 647043658 /nfs/dbraw/zinc/04/36/58/647043658.db2.gz CCJBJXJWXIZZMB-MWLCHTKSSA-N 0 0 277.343 2.845 20 10 CFCDRN CCc1nnc([C@H](C)N[C@@H](C)c2c(O)cccc2F)[nH]1 ZINC000886558673 647046260 /nfs/dbraw/zinc/04/62/60/647046260.db2.gz PIIQBCAHVDRQNB-IUCAKERBSA-N 0 0 278.331 2.624 20 10 CFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886594959 647059665 /nfs/dbraw/zinc/05/96/65/647059665.db2.gz XPDJUUCYOXKODF-YIZUVKHSSA-N 0 0 253.317 2.509 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1c([O-])cccc1F ZINC000886600859 647062592 /nfs/dbraw/zinc/06/25/92/647062592.db2.gz CZWSCZNMCBTMNE-JBLDHEPKSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1c([O-])cccc1F ZINC000886603494 647063631 /nfs/dbraw/zinc/06/36/31/647063631.db2.gz PDVPPQGWZIUSJR-VHSXEESVSA-N 0 0 255.358 2.935 20 10 CFCDRN CCn1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1=O ZINC000886603288 647063709 /nfs/dbraw/zinc/06/37/09/647063709.db2.gz KUFZSMNAKCPOIG-NSHDSACASA-N 0 0 290.338 2.564 20 10 CFCDRN C[C@@H]([NH2+]CCCOC(F)F)c1c([O-])cccc1F ZINC000886607766 647065393 /nfs/dbraw/zinc/06/53/93/647065393.db2.gz YMNYSWGSYAXJTJ-MRVPVSSYSA-N 0 0 263.259 2.811 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886615771 647068797 /nfs/dbraw/zinc/06/87/97/647068797.db2.gz NHQXNGROIWUNPG-ZANVPECISA-N 0 0 253.317 2.607 20 10 CFCDRN CO[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886615770 647069024 /nfs/dbraw/zinc/06/90/24/647069024.db2.gz NHQXNGROIWUNPG-TVQRCGJNSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]CC1(CF)CCOCC1)c1c([O-])cccc1F ZINC000886618521 647070796 /nfs/dbraw/zinc/07/07/96/647070796.db2.gz CUHSVBZSEQBQKW-NSHDSACASA-N 0 0 285.334 2.948 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c([O-])cccc1F ZINC000886631140 647078251 /nfs/dbraw/zinc/07/82/51/647078251.db2.gz DOPBJJHWCYKNLW-JQEKQURRSA-N 0 0 251.301 2.502 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1c([O-])cccc1F ZINC000886650128 647088822 /nfs/dbraw/zinc/08/88/22/647088822.db2.gz PRNVDESFKPHXEW-JQWIXIFHSA-N 0 0 275.327 2.914 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000138888132 647132620 /nfs/dbraw/zinc/13/26/20/647132620.db2.gz IQQHUVKPLDINQK-UHFFFAOYSA-N 0 0 277.755 2.664 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2CC(C)(C)CO2)cc1 ZINC000887767729 647408344 /nfs/dbraw/zinc/40/83/44/647408344.db2.gz VACBFAYRQZMXTO-OAHLLOKOSA-N 0 0 290.407 2.574 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnn1C1CCC1 ZINC000890356155 647783822 /nfs/dbraw/zinc/78/38/22/647783822.db2.gz DOEWMVCQIBXIQN-FNORWQNLSA-N 0 0 299.330 2.671 20 10 CFCDRN C[C@H]1CC(CNC(=O)Cc2ccc(N)cc2)C[C@H](C)C1 ZINC000829131196 647822035 /nfs/dbraw/zinc/82/20/35/647822035.db2.gz JCXRPRMYDVABAQ-CHWSQXEVSA-N 0 0 274.408 3.000 20 10 CFCDRN O=C(NCC[C@@H]1C[C@H]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000924348515 647963373 /nfs/dbraw/zinc/96/33/73/647963373.db2.gz DXNMPOORMRVKND-OCCSQVGLSA-N 0 0 286.375 2.854 20 10 CFCDRN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCS1 ZINC000926140934 648415599 /nfs/dbraw/zinc/41/55/99/648415599.db2.gz CHYPQZVDBDWWDP-SKDRFNHKSA-N 0 0 265.382 2.674 20 10 CFCDRN C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927107446 648714204 /nfs/dbraw/zinc/71/42/04/648714204.db2.gz FLCUOYKNGQWYDA-JTQLQIEISA-N 0 0 289.354 2.993 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927300233 648751590 /nfs/dbraw/zinc/75/15/90/648751590.db2.gz XFDDLOHSJSNTNE-BLLLJJGKSA-N 0 0 285.368 2.867 20 10 CFCDRN C[C@@H]1CC=C(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928704982 648944001 /nfs/dbraw/zinc/94/40/01/648944001.db2.gz BSMDJWYFWZLPGM-SNVBAGLBSA-N 0 0 263.312 2.894 20 10 CFCDRN O=C(NCc1c(O)cccc1F)c1cc2c([nH]1)CCCC2 ZINC000928706621 648945258 /nfs/dbraw/zinc/94/52/58/648945258.db2.gz SMTUCTVFHWPOPG-UHFFFAOYSA-N 0 0 288.322 2.668 20 10 CFCDRN CC[C@H](C)CCC(=O)NCc1c(O)cccc1F ZINC000928707030 648945355 /nfs/dbraw/zinc/94/53/55/648945355.db2.gz ZXCHWHRVBWTFHY-JTQLQIEISA-N 0 0 253.317 2.974 20 10 CFCDRN CCCC[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928707156 648945428 /nfs/dbraw/zinc/94/54/28/648945428.db2.gz BHRVDKPAMAZAPQ-SNVBAGLBSA-N 0 0 253.317 2.974 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1CCC=CCC1 ZINC000928708333 648945616 /nfs/dbraw/zinc/94/56/16/648945616.db2.gz FXIJWVWXNCUSIC-UHFFFAOYSA-N 0 0 263.312 2.894 20 10 CFCDRN C/C(=C(/F)C(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928710194 648946157 /nfs/dbraw/zinc/94/61/57/648946157.db2.gz PQFQFXDYSSSNPV-JYRVWZFOSA-N 0 0 267.275 2.801 20 10 CFCDRN Cc1oc(C)c(C(=O)NCc2c(O)cccc2F)c1C ZINC000928710914 648946512 /nfs/dbraw/zinc/94/65/12/648946512.db2.gz XQGBJVURTDTPME-UHFFFAOYSA-N 0 0 277.295 2.980 20 10 CFCDRN CC1(C)CC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928712827 648946634 /nfs/dbraw/zinc/94/66/34/648946634.db2.gz VPMVEXMOOZLFFL-SNVBAGLBSA-N 0 0 251.301 2.584 20 10 CFCDRN CCN(C/C(C)=C\C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000929896698 649146228 /nfs/dbraw/zinc/14/62/28/649146228.db2.gz GCWAJHDNKTZYNR-XFXZXTDPSA-N 0 0 293.363 2.649 20 10 CFCDRN FC(F)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000930129983 649190286 /nfs/dbraw/zinc/19/02/86/649190286.db2.gz VISXBVRBAZEEQM-HNNXBMFYSA-N 0 0 296.361 2.753 20 10 CFCDRN O=C(Nc1ccc(C2CC2)nn1)N1Cc2cccc(O)c2C1 ZINC000930403109 649243025 /nfs/dbraw/zinc/24/30/25/649243025.db2.gz QEOCRUBLEQVARZ-UHFFFAOYSA-N 0 0 296.330 2.607 20 10 CFCDRN ClC1=CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000930842624 649334147 /nfs/dbraw/zinc/33/41/47/649334147.db2.gz GRHBJUXUXYITKU-UHFFFAOYSA-N 0 0 292.810 2.852 20 10 CFCDRN CCN(C)c1ccc(CN[C@@]2(C)CC(C)(C)OC2=O)cc1 ZINC000930872548 649341231 /nfs/dbraw/zinc/34/12/31/649341231.db2.gz NFCOAKXYNYIYRF-KRWDZBQOSA-N 0 0 290.407 2.717 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@]2(C)C=CCC2)cc1F ZINC000931146252 649387272 /nfs/dbraw/zinc/38/72/72/649387272.db2.gz AVQGWIHKFFSFGP-MRXNPFEDSA-N 0 0 276.355 2.864 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000932514726 649613211 /nfs/dbraw/zinc/61/32/11/649613211.db2.gz ZEVDFRPPQLXVBR-FPLPWBNLSA-N 0 0 281.359 2.721 20 10 CFCDRN CSCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000934673273 649814063 /nfs/dbraw/zinc/81/40/63/649814063.db2.gz SVBXMPRHASAEBQ-UHFFFAOYSA-N 0 0 270.354 2.532 20 10 CFCDRN Cc1nnc(NCc2c(O)cccc2Cl)n1C1CC1 ZINC000284306538 651298915 /nfs/dbraw/zinc/29/89/15/651298915.db2.gz SCPXKAHLLTUJHU-UHFFFAOYSA-N 0 0 278.743 2.893 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@@H]1O ZINC001237809013 779719157 /nfs/dbraw/zinc/71/91/57/779719157.db2.gz YNPCWTFKIXWGBK-RNCFNFMXSA-N 0 0 287.762 2.778 20 10 CFCDRN Cc1ccc(C)c(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001140178734 770261135 /nfs/dbraw/zinc/26/11/35/770261135.db2.gz VWSWYMFBOJRVOG-RYUDHWBXSA-N 0 0 255.308 2.891 20 10 CFCDRN CSc1cncc(N(CCO)c2ccc(N)cc2)c1 ZINC001211071086 770426298 /nfs/dbraw/zinc/42/62/98/770426298.db2.gz KIYNKOVSXGJKFW-UHFFFAOYSA-N 0 0 275.377 2.516 20 10 CFCDRN Nc1ccc(N(CCO)c2cc3ccccc3[nH]2)cc1 ZINC001211306666 770481078 /nfs/dbraw/zinc/48/10/78/770481078.db2.gz LNQMPHFNIWFCLR-UHFFFAOYSA-N 0 0 267.332 2.881 20 10 CFCDRN CC(C)CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405504 770534648 /nfs/dbraw/zinc/53/46/48/770534648.db2.gz YZGBOWPPIDZVGL-ALCCZGGFSA-N 0 0 263.337 2.616 20 10 CFCDRN CN(C)c1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406314 770537157 /nfs/dbraw/zinc/53/71/57/770537157.db2.gz KRNZOBAVXAFQOY-NTMALXAHSA-N 0 0 298.342 2.816 20 10 CFCDRN C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCS1 ZINC000588407777 770549362 /nfs/dbraw/zinc/54/93/62/770549362.db2.gz QSKSFLVULLNSCT-ZDTYVGOBSA-N 0 0 293.388 2.513 20 10 CFCDRN O=C(/C=C\c1cncc(O)c1)N1CCCc2cc(F)ccc21 ZINC000588408906 770550494 /nfs/dbraw/zinc/55/04/94/770550494.db2.gz YXMFYHLDJBRQMK-UTCJRWHESA-N 0 0 298.317 2.919 20 10 CFCDRN Nc1ccc(NC(=O)N2CCCC(F)(F)C2)cc1 ZINC000405098511 775170616 /nfs/dbraw/zinc/17/06/16/775170616.db2.gz SJCBCHPJPQCCHB-UHFFFAOYSA-N 0 0 255.268 2.532 20 10 CFCDRN Cc1ccoc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535562 775258370 /nfs/dbraw/zinc/25/83/70/775258370.db2.gz MQYDBERQYCODHT-UHFFFAOYSA-N 0 0 253.248 2.862 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725065905 775262366 /nfs/dbraw/zinc/26/23/66/775262366.db2.gz ZGVQUALWHSDSIK-AWEZNQCLSA-N 0 0 285.334 2.701 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310727142 775773401 /nfs/dbraw/zinc/77/34/01/775773401.db2.gz URRGQCWRIFRKIV-SECBINFHSA-N 0 0 263.234 2.916 20 10 CFCDRN CCC(CC)[C@@H](CC)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465309 775835044 /nfs/dbraw/zinc/83/50/44/775835044.db2.gz SOAICYJYXAALJP-MRVPVSSYSA-N 0 0 286.324 2.808 20 10 CFCDRN CCCCCC[C@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465640 775835084 /nfs/dbraw/zinc/83/50/84/775835084.db2.gz UZGIFHKETVFMRU-QMMMGPOBSA-N 0 0 286.324 2.952 20 10 CFCDRN CC[C@H]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226469104 775836489 /nfs/dbraw/zinc/83/64/89/775836489.db2.gz RCNBWEAQJZLPFQ-ZKCHVHJHSA-N 0 0 284.308 2.562 20 10 CFCDRN C[C@@H](N[C@@H](C)c1ccc(F)cc1O)c1csnn1 ZINC000398264674 776143943 /nfs/dbraw/zinc/14/39/43/776143943.db2.gz GKDDBNFRGYTKBX-JGVFFNPUSA-N 0 0 267.329 2.795 20 10 CFCDRN O=C(CCc1ccc(O)c(O)c1)Nc1ccc2n[nH]cc2c1 ZINC000200008670 776197168 /nfs/dbraw/zinc/19/71/68/776197168.db2.gz DSTTWKUMGQIESU-UHFFFAOYSA-N 0 0 297.314 2.545 20 10 CFCDRN COC[C@H](C)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228074628 776386223 /nfs/dbraw/zinc/38/62/23/776386223.db2.gz RYNDKGWBANEJMJ-NSHDSACASA-N 0 0 296.322 2.876 20 10 CFCDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc(Cl)nn1 ZINC001126227535 776472718 /nfs/dbraw/zinc/47/27/18/776472718.db2.gz BYWXOWYLVPEFCI-VMPITWQZSA-N 0 0 288.738 2.510 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001231561677 777259211 /nfs/dbraw/zinc/25/92/11/777259211.db2.gz YHIOKRPVXDRWIN-AAEUAGOBSA-N 0 0 275.348 2.712 20 10 CFCDRN COc1ccc(Br)c(CN(C)CCF)c1O ZINC001231555695 777259987 /nfs/dbraw/zinc/25/99/87/777259987.db2.gz VBHGUQAALCYYGK-UHFFFAOYSA-N 0 0 292.148 2.565 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC001231563448 777261172 /nfs/dbraw/zinc/26/11/72/777261172.db2.gz ACSHPNYGLXOYFG-UHFFFAOYSA-N 0 0 289.356 2.710 20 10 CFCDRN Oc1ccc2ccccc2c1CN1CCn2nccc2C1 ZINC001231590036 777268036 /nfs/dbraw/zinc/26/80/36/777268036.db2.gz ZIDWOWNAMKGNHB-UHFFFAOYSA-N 0 0 279.343 2.758 20 10 CFCDRN Cc1cccc(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c1O ZINC001231593678 777273351 /nfs/dbraw/zinc/27/33/51/777273351.db2.gz KZXLWDBVWWREHC-GVXVVHGQSA-N 0 0 287.281 2.605 20 10 CFCDRN COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c(O)cc1O ZINC001231634097 777287372 /nfs/dbraw/zinc/28/73/72/777287372.db2.gz ICIMAQKZQXWXSK-UHFFFAOYSA-N 0 0 291.322 2.878 20 10 CFCDRN Cc1cc(C)c(CN2Cc3ncsc3C2)c(O)c1 ZINC001231848618 777349765 /nfs/dbraw/zinc/34/97/65/777349765.db2.gz JAFQJLHHHUPVNK-UHFFFAOYSA-N 0 0 260.362 2.981 20 10 CFCDRN COc1cc(N(C)C)ccc1CN1CCC(=O)[C@@H](C)CC1 ZINC001231849322 777350278 /nfs/dbraw/zinc/35/02/78/777350278.db2.gz RETGCFXPHXWHHE-ZDUSSCGKSA-N 0 0 290.407 2.562 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H](F)C[C@H](CO)C2)cc1Cl ZINC001231869432 777358783 /nfs/dbraw/zinc/35/87/83/777358783.db2.gz QOIXJGPBTPJYGW-CMPLNLGQSA-N 0 0 287.762 2.506 20 10 CFCDRN CCN(Cc1ccc2ccccc2c1O)[C@@H](C)C(=O)OC ZINC001231883472 777365540 /nfs/dbraw/zinc/36/55/40/777365540.db2.gz LLNYOLABRDOPKF-LBPRGKRZSA-N 0 0 287.359 2.929 20 10 CFCDRN Cc1scnc1CN1CCc2cccc(O)c2C1 ZINC001232211589 777475512 /nfs/dbraw/zinc/47/55/12/777475512.db2.gz HXDIPPSTBIHHLX-UHFFFAOYSA-N 0 0 260.362 2.715 20 10 CFCDRN Oc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1Cl ZINC001232257373 777494835 /nfs/dbraw/zinc/49/48/35/777494835.db2.gz DJPOQDIJUAUVCZ-UHFFFAOYSA-N 0 0 253.729 2.737 20 10 CFCDRN COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC001232263894 777497847 /nfs/dbraw/zinc/49/78/47/777497847.db2.gz FFWOFUQJCVMLKR-LLVKDONJSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1cc(O)c(CN2CCOC[C@@H]2C(C)C)cc1Cl ZINC001232270239 777501141 /nfs/dbraw/zinc/50/11/41/777501141.db2.gz YZZDXMMEDFXRDK-CYBMUJFWSA-N 0 0 299.798 2.911 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccc(F)c(O)c1F)CC2 ZINC001232937432 777726120 /nfs/dbraw/zinc/72/61/20/777726120.db2.gz OCAGGFXEXCCHJM-UHFFFAOYSA-N 0 0 291.297 2.934 20 10 CFCDRN CN(Cc1cc(O)c(O)c(O)c1)Cc1ccc(F)cc1F ZINC001233015645 777763599 /nfs/dbraw/zinc/76/35/99/777763599.db2.gz VDQSRSVOBUQKAI-UHFFFAOYSA-N 0 0 295.285 2.714 20 10 CFCDRN Oc1cc(CN2CCC[C@H]2c2nccs2)cc(O)c1O ZINC001233016777 777766130 /nfs/dbraw/zinc/76/61/30/777766130.db2.gz OASZGQZIQDGIJC-JTQLQIEISA-N 0 0 292.360 2.597 20 10 CFCDRN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc(F)c1F ZINC001233077696 777788727 /nfs/dbraw/zinc/78/87/27/777788727.db2.gz SQYOWGGYCVIEPA-ATZCPNFKSA-N 0 0 257.255 2.603 20 10 CFCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC001233077992 777789764 /nfs/dbraw/zinc/78/97/64/777789764.db2.gz ZZEIZDVCLKGTDZ-OSMZGAPFSA-N 0 0 297.345 2.917 20 10 CFCDRN Cc1cnc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233078679 777789817 /nfs/dbraw/zinc/78/98/17/777789817.db2.gz DYZKSLZEQBDZQW-UHFFFAOYSA-N 0 0 290.313 2.932 20 10 CFCDRN CC[N@H+](CCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC001233077092 777789978 /nfs/dbraw/zinc/78/99/78/777789978.db2.gz DFDMDMLUGJNMML-UHFFFAOYSA-N 0 0 284.350 2.588 20 10 CFCDRN COC(=O)CC1C[NH+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286459 777868112 /nfs/dbraw/zinc/86/81/12/777868112.db2.gz UWFUAXLOWABFAJ-UHFFFAOYSA-N 0 0 291.391 2.685 20 10 CFCDRN COc1cc(Cl)cc(CN2CCCC[C@H]2C(C)=O)c1O ZINC001233290749 777869936 /nfs/dbraw/zinc/86/99/36/777869936.db2.gz UAPHMHFAUZZEPA-ZDUSSCGKSA-N 0 0 297.782 2.998 20 10 CFCDRN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1O ZINC001233288083 777870084 /nfs/dbraw/zinc/87/00/84/777870084.db2.gz VASHECYYYGQRBY-MFKMUULPSA-N 0 0 299.798 2.647 20 10 CFCDRN C[C@]1(CO)CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332204 777887853 /nfs/dbraw/zinc/88/78/53/777887853.db2.gz CDOCNSWKDDLLBZ-HNNXBMFYSA-N 0 0 285.334 2.655 20 10 CFCDRN C[N@@H+](Cc1c([O-])ccc(F)c1F)CC1CCOCC1 ZINC001233332521 777891484 /nfs/dbraw/zinc/89/14/84/777891484.db2.gz NWXKYOWGCVTAJL-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(CF)CC1 ZINC001233334548 777893027 /nfs/dbraw/zinc/89/30/27/777893027.db2.gz LJJJEKKZJQFYRD-UHFFFAOYSA-N 0 0 259.271 2.852 20 10 CFCDRN Oc1ccc(F)c(F)c1CN1Cc2ncsc2C1 ZINC001233335574 777897253 /nfs/dbraw/zinc/89/72/53/777897253.db2.gz BXCSKZCMUKXKAG-UHFFFAOYSA-N 0 0 268.288 2.643 20 10 CFCDRN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418638 777942466 /nfs/dbraw/zinc/94/24/66/777942466.db2.gz PEXWNAYCEDBVRV-ONGXEEELSA-N 0 0 289.297 2.756 20 10 CFCDRN [O-]c1c(C[N@H+]2CCCC[C@H]2CO)cccc1C(F)(F)F ZINC001233415603 777942504 /nfs/dbraw/zinc/94/25/04/777942504.db2.gz CCPDFCFCTVMYFT-NSHDSACASA-N 0 0 289.297 2.758 20 10 CFCDRN CCOC1CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416174 777943631 /nfs/dbraw/zinc/94/36/31/777943631.db2.gz YOQOFCDJDKYFIT-UHFFFAOYSA-N 0 0 275.270 2.632 20 10 CFCDRN CO[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1F ZINC001233452298 777960607 /nfs/dbraw/zinc/96/06/07/777960607.db2.gz QVOVYBUPXHHMBV-CMPLNLGQSA-N 0 0 293.260 2.580 20 10 CFCDRN O=C(C=C(C1CC1)C1CC1)NCc1c(O)cccc1F ZINC000928710322 777964616 /nfs/dbraw/zinc/96/46/16/777964616.db2.gz BFTAZSBMCDTVGW-UHFFFAOYSA-N 0 0 275.323 2.894 20 10 CFCDRN CCN1CCc2cc(OC3CCN(CCF)CC3)ccc21 ZINC001233606761 778009704 /nfs/dbraw/zinc/00/97/04/778009704.db2.gz DJNCWZPPKJISNU-UHFFFAOYSA-N 0 0 292.398 2.882 20 10 CFCDRN CCN1CCc2cc(OC3CN(C(C)C)C3)ccc21 ZINC001233608767 778011442 /nfs/dbraw/zinc/01/14/42/778011442.db2.gz ZNRXEUZGGNJZKI-UHFFFAOYSA-N 0 0 260.381 2.540 20 10 CFCDRN Oc1c(CN2C[C@@H](F)[C@H](F)C2)cccc1OC(F)(F)F ZINC001233727654 778057553 /nfs/dbraw/zinc/05/75/53/778057553.db2.gz NUJGXBDRJHPDON-RKDXNWHRSA-N 0 0 297.223 2.783 20 10 CFCDRN CCCCOC[C@H](C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233947846 778118930 /nfs/dbraw/zinc/11/89/30/778118930.db2.gz ACMSEMFLQDYURI-JTQLQIEISA-N 0 0 292.335 2.625 20 10 CFCDRN O=c1cc2[nH]cnc(O[C@@H]3C[C@@H]4CC[C@H]3C4)c-2cc1O ZINC001233946119 778119573 /nfs/dbraw/zinc/11/95/73/778119573.db2.gz AFFMECGRMJQTGU-TVLCNXBWSA-N 0 0 272.304 2.608 20 10 CFCDRN C[C@@H]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950231 778120618 /nfs/dbraw/zinc/12/06/18/778120618.db2.gz SXHGHQGTLNHYCP-BDAKNGLRSA-N 0 0 260.293 2.608 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccccn1 ZINC001234473380 778233641 /nfs/dbraw/zinc/23/36/41/778233641.db2.gz FRFPMDMOWACURU-JTQLQIEISA-N 0 0 273.288 2.835 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)C1CCC1 ZINC001234474309 778233857 /nfs/dbraw/zinc/23/38/57/778233857.db2.gz QYLLIIHHJSAMDM-VIFPVBQESA-N 0 0 250.294 2.868 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC(F)(F)C1 ZINC001234475078 778234195 /nfs/dbraw/zinc/23/41/95/778234195.db2.gz CVNLCGGVXITOGO-QMMMGPOBSA-N 0 0 272.247 2.867 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cccnc1F ZINC001234478138 778235313 /nfs/dbraw/zinc/23/53/13/778235313.db2.gz XXNNDQNWTFGBOK-SECBINFHSA-N 0 0 291.278 2.975 20 10 CFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001142508985 778395738 /nfs/dbraw/zinc/39/57/38/778395738.db2.gz RUEGEPUXZMRPFF-HNNXBMFYSA-N 0 0 283.318 2.815 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@]1(C)O ZINC001142509086 778396078 /nfs/dbraw/zinc/39/60/78/778396078.db2.gz WMLXUMUXOPPASY-BONVTDFDSA-N 0 0 285.334 2.653 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534407 778403800 /nfs/dbraw/zinc/40/38/00/778403800.db2.gz IKKLVMCKLXZHOO-MWLCHTKSSA-N 0 0 271.307 2.670 20 10 CFCDRN CC(F)(F)CNCc1cc(Br)ccc1O ZINC000378749697 778408400 /nfs/dbraw/zinc/40/84/00/778408400.db2.gz NUOFHKCSKUNHIJ-UHFFFAOYSA-N 0 0 280.112 2.900 20 10 CFCDRN CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001235769441 778554798 /nfs/dbraw/zinc/55/47/98/778554798.db2.gz HKKABNBSSMCSDQ-HNNXBMFYSA-N 0 0 290.407 2.965 20 10 CFCDRN CCCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726605 778705834 /nfs/dbraw/zinc/70/58/34/778705834.db2.gz DHEGAJLJOVLPCO-UHFFFAOYSA-N 0 0 263.385 2.742 20 10 CFCDRN CCn1ccc(-c2cccnc2N2CCCC2)cc1=O ZINC001236134033 778707890 /nfs/dbraw/zinc/70/78/90/778707890.db2.gz SBDFQFJCAFPWNJ-UHFFFAOYSA-N 0 0 269.348 2.530 20 10 CFCDRN CCCC[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC[NH2+]1 ZINC001236137012 778709952 /nfs/dbraw/zinc/70/99/52/778709952.db2.gz JMVOQNVFWVVASO-LBPRGKRZSA-N 0 0 284.350 2.634 20 10 CFCDRN Nc1ccc(-c2ccn(Cc3ccccc3)c(=O)c2)cn1 ZINC001236318044 778776582 /nfs/dbraw/zinc/77/65/82/778776582.db2.gz WPBRSSNAWSUOKS-UHFFFAOYSA-N 0 0 277.327 2.541 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001236791485 778937407 /nfs/dbraw/zinc/93/74/07/778937407.db2.gz HRUWSEUAKIDKIQ-MRXNPFEDSA-N 0 0 261.365 2.710 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(O)c1 ZINC001236791757 778937429 /nfs/dbraw/zinc/93/74/29/778937429.db2.gz KEGOTZSZFPJCPM-CQSZACIVSA-N 0 0 287.363 2.636 20 10 CFCDRN OC[C@]1(F)CCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793604 778939265 /nfs/dbraw/zinc/93/92/65/778939265.db2.gz MBBFIUOSLAGOOL-LBPRGKRZSA-N 0 0 294.153 2.605 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236794054 778939275 /nfs/dbraw/zinc/93/92/75/778939275.db2.gz ORBCUIZVDVBHNZ-QPUJVOFHSA-N 0 0 290.190 2.902 20 10 CFCDRN COC1CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236794623 778939294 /nfs/dbraw/zinc/93/92/94/778939294.db2.gz TUCGTNHARDEDPW-UHFFFAOYSA-N 0 0 262.136 2.530 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H]1CO ZINC001236792160 778939418 /nfs/dbraw/zinc/93/94/18/778939418.db2.gz CNUDJSACDDZCJC-SECBINFHSA-N 0 0 276.163 2.656 20 10 CFCDRN COCC1C[NH+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793688 778939724 /nfs/dbraw/zinc/93/97/24/778939724.db2.gz NSXRYGFYDFYCST-UHFFFAOYSA-N 0 0 276.163 2.777 20 10 CFCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001236795253 778940664 /nfs/dbraw/zinc/94/06/64/778940664.db2.gz BEBGVJZRTYKCAI-ISVAXAHUSA-N 0 0 288.174 2.920 20 10 CFCDRN COc1cc(O)c(CN2CC3(C2)CCCCO3)c(Cl)c1 ZINC001236799647 778942854 /nfs/dbraw/zinc/94/28/54/778942854.db2.gz UMFONTHYHIGZQM-UHFFFAOYSA-N 0 0 297.782 2.809 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1Cl ZINC001236800533 778943796 /nfs/dbraw/zinc/94/37/96/778943796.db2.gz ACRFVUNOVSSWEO-LLVKDONJSA-N 0 0 299.798 2.649 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c([O-])c1Cl ZINC001236802379 778944458 /nfs/dbraw/zinc/94/44/58/778944458.db2.gz PDZKLJHWROVRMG-OAHLLOKOSA-N 0 0 297.782 2.809 20 10 CFCDRN COc1ccc(C[NH+]2CCSCC2)c([O-])c1Cl ZINC001236802239 778944758 /nfs/dbraw/zinc/94/47/58/778944758.db2.gz PUFQBHWJODQJNL-UHFFFAOYSA-N 0 0 273.785 2.603 20 10 CFCDRN COc1cc(O)c(CN2CCC[C@H]2C(C)=O)c(Cl)c1 ZINC001236806166 778945982 /nfs/dbraw/zinc/94/59/82/778945982.db2.gz OVTJIJGMLPBCBM-ZDUSSCGKSA-N 0 0 283.755 2.608 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1Cl ZINC001236805843 778946810 /nfs/dbraw/zinc/94/68/10/778946810.db2.gz FTXYNEIYOLEBTE-CMPLNLGQSA-N 0 0 297.782 2.665 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(Cl)c1 ZINC001236809378 778949515 /nfs/dbraw/zinc/94/95/15/778949515.db2.gz UYVFNIODUZTNJT-RVBZMBCESA-N 0 0 285.746 2.987 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1Cl ZINC001236813417 778950306 /nfs/dbraw/zinc/95/03/06/778950306.db2.gz LRHGLXSCIOGRHG-GARJFASQSA-N 0 0 285.746 2.987 20 10 CFCDRN CCN1C[C@@H](C)N(Cc2cc3ccccc3cc2O)CC1=O ZINC001236837099 778960264 /nfs/dbraw/zinc/96/02/64/778960264.db2.gz NNOORYLZWLKKOP-CYBMUJFWSA-N 0 0 298.386 2.598 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237050189 779000701 /nfs/dbraw/zinc/00/07/01/779000701.db2.gz SALQRQHQSMJEBF-CXAGYDPISA-N 0 0 293.407 2.774 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001237049767 779001021 /nfs/dbraw/zinc/00/10/21/779001021.db2.gz JALJYMFFHCSILO-INIZCTEOSA-N 0 0 277.364 2.546 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCO[C@@H]2C[C@@H]21 ZINC001237083326 779008538 /nfs/dbraw/zinc/00/85/38/779008538.db2.gz BVHMNJQCWPOIKK-GXSJLCMTSA-N 0 0 274.147 2.672 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CCO[C@H]2C[C@H]21 ZINC001237083329 779009177 /nfs/dbraw/zinc/00/91/77/779009177.db2.gz BVHMNJQCWPOIKK-KOLCDFICSA-N 0 0 274.147 2.672 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237121391 779017154 /nfs/dbraw/zinc/01/71/54/779017154.db2.gz MAQPRTNMBBOAPV-DTORHVGOSA-N 0 0 271.719 2.548 20 10 CFCDRN C[C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)CCC1=O ZINC001237121389 779017811 /nfs/dbraw/zinc/01/78/11/779017811.db2.gz MAQFJWWAWSMSFG-SECBINFHSA-N 0 0 285.746 2.986 20 10 CFCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237125589 779019983 /nfs/dbraw/zinc/01/99/83/779019983.db2.gz DXJUDROHYOLZRP-DTWKUNHWSA-N 0 0 273.735 2.530 20 10 CFCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237125068 779020043 /nfs/dbraw/zinc/02/00/43/779020043.db2.gz WPTZOCVKAMPCNJ-AWEZNQCLSA-N 0 0 285.746 2.940 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237129105 779021019 /nfs/dbraw/zinc/02/10/19/779021019.db2.gz UYROXPAADCKQBW-RKDXNWHRSA-N 0 0 271.719 2.548 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237410426 779101394 /nfs/dbraw/zinc/10/13/94/779101394.db2.gz CYPHVQYUPDCGFD-IINYFYTJSA-N 0 0 298.789 2.759 20 10 CFCDRN CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)[C@@H]1C ZINC001237488466 779118964 /nfs/dbraw/zinc/11/89/64/779118964.db2.gz 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/nfs/dbraw/zinc/16/26/37/779162637.db2.gz UASCUWHMYHCNNV-UHFFFAOYSA-N 0 0 297.704 2.711 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001237690442 779162908 /nfs/dbraw/zinc/16/29/08/779162908.db2.gz XSYGBUGQVGUSCB-AWEZNQCLSA-N 0 0 267.756 2.719 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(C)cn1 ZINC001237811569 779185726 /nfs/dbraw/zinc/18/57/26/779185726.db2.gz UTVDOAZLBAGGGU-UHFFFAOYSA-N 0 0 284.407 2.873 20 10 CFCDRN C[C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)CCC1=O ZINC001237935209 779210615 /nfs/dbraw/zinc/21/06/15/779210615.db2.gz RNKFAUWFZNZJLX-SECBINFHSA-N 0 0 285.746 2.986 20 10 CFCDRN CN(Cc1cc(F)c(Cl)cc1O)Cc1ncccn1 ZINC001237935584 779211960 /nfs/dbraw/zinc/21/19/60/779211960.db2.gz WEHOTXGFOQPMKG-UHFFFAOYSA-N 0 0 281.718 2.607 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN1CCOC[C@H]1C1CC1 ZINC001237940346 779212132 /nfs/dbraw/zinc/21/21/32/779212132.db2.gz JQUTTXHSZJFGGJ-ZDUSSCGKSA-N 0 0 285.746 2.796 20 10 CFCDRN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237950714 779216173 /nfs/dbraw/zinc/21/61/73/779216173.db2.gz ZKRAJXFHPOODTK-SCZZXKLOSA-N 0 0 273.735 2.530 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cccnc1 ZINC001234474892 779233530 /nfs/dbraw/zinc/23/35/30/779233530.db2.gz YSARVBNMBXULHB-JTQLQIEISA-N 0 0 273.288 2.835 20 10 CFCDRN Cc1cc(F)cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001238055791 779241600 /nfs/dbraw/zinc/24/16/00/779241600.db2.gz DNXARWARBLILLS-HNNXBMFYSA-N 0 0 285.334 2.526 20 10 CFCDRN Cc1cc(F)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC001238069243 779245342 /nfs/dbraw/zinc/24/53/42/779245342.db2.gz IALIRCMRFTVPCV-UHFFFAOYSA-N 0 0 289.354 2.873 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCCC(=O)C2)c(O)c1 ZINC001235683516 779369290 /nfs/dbraw/zinc/36/92/90/779369290.db2.gz GVBBKAZXNBIDOU-UHFFFAOYSA-N 0 0 261.365 2.855 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(F)cn2)s1 ZINC001272643700 779378706 /nfs/dbraw/zinc/37/87/06/779378706.db2.gz IIWUROBXPQPKLO-XQRVVYSFSA-N 0 0 277.324 2.662 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)OCCc1ccccc1 ZINC001212223599 779440321 /nfs/dbraw/zinc/44/03/21/779440321.db2.gz SPBIMIKBQXVQQF-UHFFFAOYSA-N 0 0 287.315 2.567 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnn(Cc2ccncc2)c1 ZINC001239040490 779449303 /nfs/dbraw/zinc/44/93/03/779449303.db2.gz XXYQODNXTGHYEI-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cnoc3)cc2n1C ZINC001239185581 779466579 /nfs/dbraw/zinc/46/65/79/779466579.db2.gz CDGQYTJNHVUNME-UHFFFAOYSA-N 0 0 256.261 2.620 20 10 CFCDRN CCC(CC)COC(=O)NCCc1ccc(N)cc1 ZINC001239325618 779515842 /nfs/dbraw/zinc/51/58/42/779515842.db2.gz WIPYUEDFZQOXRI-UHFFFAOYSA-N 0 0 264.369 2.974 20 10 CFCDRN COc1ncc(-c2ccc3ccc(=O)n(C)c3c2)cc1F ZINC001239518237 779601724 /nfs/dbraw/zinc/60/17/24/779601724.db2.gz GUJIAPSBHGDJCL-UHFFFAOYSA-N 0 0 284.290 2.748 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237798186 779717715 /nfs/dbraw/zinc/71/77/15/779717715.db2.gz AAHKJHMNFBEAIV-CYBMUJFWSA-N 0 0 298.789 2.855 20 10 CFCDRN COCCn1ccc(-c2cncc3ccccc32)cc1=O ZINC001239949049 779879960 /nfs/dbraw/zinc/87/99/60/779879960.db2.gz RKYJBMDTCWQIBI-UHFFFAOYSA-N 0 0 280.327 2.710 20 10 CFCDRN Cn1ccc2c1ccnc2-c1cnn(C2CCOCC2)c1 ZINC001240067575 779931970 /nfs/dbraw/zinc/93/19/70/779931970.db2.gz QTACPABTBKNDLL-UHFFFAOYSA-N 0 0 282.347 2.788 20 10 CFCDRN Cn1ccc2ccc(-c3cnn(CC(C)(C)O)c3)cc21 ZINC001240191431 779987040 /nfs/dbraw/zinc/98/70/40/779987040.db2.gz JTQCFPJDXDSDNK-UHFFFAOYSA-N 0 0 269.348 2.813 20 10 CFCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c(F)c1F ZINC001212361752 779993076 /nfs/dbraw/zinc/99/30/76/779993076.db2.gz DVVIABBMRXEGJR-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN c1snnc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212361907 779993313 /nfs/dbraw/zinc/99/33/13/779993313.db2.gz ILZKOUOXDDOSLX-UHFFFAOYSA-N 0 0 286.316 2.796 20 10 CFCDRN COc1cc(F)cc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405324 780094534 /nfs/dbraw/zinc/09/45/34/780094534.db2.gz OFCVBGOLJLBIHP-UHFFFAOYSA-N 0 0 292.295 2.711 20 10 CFCDRN Cc1snnc1-c1nc(-c2cnc(C)cc2C)no1 ZINC001212405047 780095241 /nfs/dbraw/zinc/09/52/41/780095241.db2.gz FKSUGYHQZZTXNG-UHFFFAOYSA-N 0 0 273.321 2.575 20 10 CFCDRN Cc1c(-c2ccn(Cc3ccccc3F)c(=O)c2)cnn1C ZINC001240382825 780126495 /nfs/dbraw/zinc/12/64/95/780126495.db2.gz QGRMLXHGOQRFFQ-UHFFFAOYSA-N 0 0 297.333 2.745 20 10 CFCDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1C[C@H]1C1CC1 ZINC001116850500 780247234 /nfs/dbraw/zinc/24/72/34/780247234.db2.gz PLPZKCAUMCPNJZ-YUMQZZPRSA-N 0 0 277.711 2.861 20 10 CFCDRN CCOC(=O)c1nccnc1-c1ccc2ccn(C)c2c1 ZINC001240571023 780263841 /nfs/dbraw/zinc/26/38/41/780263841.db2.gz QOBUOYUQESUSMN-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN Cn1ccc2ccc(-c3cncc(-n4ccnc4)n3)cc21 ZINC001240572234 780264800 /nfs/dbraw/zinc/26/48/00/780264800.db2.gz UMISWKBHPNHCPP-UHFFFAOYSA-N 0 0 275.315 2.821 20 10 CFCDRN Cn1ccc2ccc(-c3cnc(N4CCC4)nc3)cc21 ZINC001240574435 780266196 /nfs/dbraw/zinc/26/61/96/780266196.db2.gz LGELHUUSENUHEK-UHFFFAOYSA-N 0 0 264.332 2.845 20 10 CFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC1 ZINC000715713437 780316908 /nfs/dbraw/zinc/31/69/08/780316908.db2.gz PYHCRXARUYHNDJ-UHFFFAOYSA-N 0 0 260.106 2.546 20 10 CFCDRN Cn1c(=O)cc(-c2cncc(C(C)(C)O)c2)c2ccccc21 ZINC001240669014 780342576 /nfs/dbraw/zinc/34/25/76/780342576.db2.gz MRYJYCYTYYZVQQ-UHFFFAOYSA-N 0 0 294.354 2.828 20 10 CFCDRN O=c1cc(-c2cnn([C@@H]3CCCCO3)c2)ccn1CC1CC1 ZINC001240680532 780353711 /nfs/dbraw/zinc/35/37/11/780353711.db2.gz QUBJPEQCAOFITF-KRWDZBQOSA-N 0 0 299.374 2.821 20 10 CFCDRN COCCn1ccc(-c2cccc3cccnc32)cc1=O ZINC001240894808 780503390 /nfs/dbraw/zinc/50/33/90/780503390.db2.gz DOTUWGLCVQANQN-UHFFFAOYSA-N 0 0 280.327 2.710 20 10 CFCDRN CN(C(=O)/C=C/c1cn(C)cn1)c1cccc2cccnc21 ZINC001128504825 780557489 /nfs/dbraw/zinc/55/74/89/780557489.db2.gz HZYFMXBSYCCUFH-CMDGGOBGSA-N 0 0 292.342 2.645 20 10 CFCDRN Cn1ccc(-c2nccnc2Oc2ccccc2)cc1=O ZINC001240984136 780571099 /nfs/dbraw/zinc/57/10/99/780571099.db2.gz WOBNBRPOPMBFEA-UHFFFAOYSA-N 0 0 279.299 2.635 20 10 CFCDRN Cn1ccc(-c2cnc3cc(F)ccc3c2)cc1=O ZINC001240983970 780571334 /nfs/dbraw/zinc/57/13/34/780571334.db2.gz STTSUSUOZOZCCP-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Cc1cnc(OC(C)C)c(-c2ccn(C)c(=O)c2)c1 ZINC001240991153 780577371 /nfs/dbraw/zinc/57/73/71/780577371.db2.gz BLTDAROCGQIGAN-UHFFFAOYSA-N 0 0 258.321 2.543 20 10 CFCDRN Cc1ncc(-c2ccn(C)c(=O)c2)cc1C(F)(F)F ZINC001240997526 780581683 /nfs/dbraw/zinc/58/16/83/780581683.db2.gz BWFDVJVAXNJPKP-UHFFFAOYSA-N 0 0 268.238 2.775 20 10 CFCDRN CN(C)C(=O)Cc1nc(CSc2nccs2)cs1 ZINC000133228660 780631276 /nfs/dbraw/zinc/63/12/76/780631276.db2.gz HBAFFDAXMSBSJD-UHFFFAOYSA-N 0 0 299.446 2.523 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000700639498 780710850 /nfs/dbraw/zinc/71/08/50/780710850.db2.gz HRKJTGYZAPGZMM-YPMHNXCESA-N 0 0 267.756 2.656 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnc(N(C)C)cc2C)n1 ZINC001241232944 780721699 /nfs/dbraw/zinc/72/16/99/780721699.db2.gz APXGBIQVOXYJTB-UHFFFAOYSA-N 0 0 281.363 2.713 20 10 CFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccsn1 ZINC001128704461 780736067 /nfs/dbraw/zinc/73/60/67/780736067.db2.gz LKSVLBNBSPERHG-UHFFFAOYSA-N 0 0 280.696 2.585 20 10 CFCDRN CN(C)c1cncc(C2=CCN(c3ccccc3)CC2)n1 ZINC001241337483 780792229 /nfs/dbraw/zinc/79/22/29/780792229.db2.gz CUDMHUYBDWVQRS-UHFFFAOYSA-N 0 0 280.375 2.836 20 10 CFCDRN Fc1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241352302 780804465 /nfs/dbraw/zinc/80/44/65/780804465.db2.gz QOOLFAXMRRYGSI-UHFFFAOYSA-N 0 0 255.296 2.909 20 10 CFCDRN Cn1cccc(C2=CCN(c3ccccc3)CC2)c1=O ZINC001241355087 780805577 /nfs/dbraw/zinc/80/55/77/780805577.db2.gz NHZSMZZZADXBBM-UHFFFAOYSA-N 0 0 266.344 2.679 20 10 CFCDRN C[S@@](=O)c1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241360137 780809913 /nfs/dbraw/zinc/80/99/13/780809913.db2.gz KMSHLZWXZZCYTQ-OAQYLSRUSA-N 0 0 299.399 2.508 20 10 CFCDRN COc1ncc(C)cc1-c1ccn(CC2CC2)c(=O)c1 ZINC001241366542 780818082 /nfs/dbraw/zinc/81/80/82/780818082.db2.gz IBMMKQVRNDCXEH-UHFFFAOYSA-N 0 0 270.332 2.637 20 10 CFCDRN CC1(C)C[N@H+](Cc2c([O-])cccc2F)[C@](C)(CO)C1 ZINC001137832992 780929379 /nfs/dbraw/zinc/92/93/79/780929379.db2.gz OUZXEQCPKPWCDD-HNNXBMFYSA-N 0 0 267.344 2.514 20 10 CFCDRN Nc1ccc(CC(=O)N2CCCC3(CC3)CC2)cc1 ZINC000702520469 780931118 /nfs/dbraw/zinc/93/11/18/780931118.db2.gz ZHMOLKILKFKXFG-UHFFFAOYSA-N 0 0 258.365 2.604 20 10 CFCDRN COc1ccc(-c2nccc3c2ccn3C)c(OC)n1 ZINC001241573583 780990704 /nfs/dbraw/zinc/99/07/04/780990704.db2.gz MVMVOPCSWCTKRF-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H]2CC2(F)F)ccc(F)c1F ZINC000703213160 780999121 /nfs/dbraw/zinc/99/91/21/780999121.db2.gz HIKVIVSZDXGGPX-QMMMGPOBSA-N 0 0 263.234 2.805 20 10 CFCDRN [O-]c1c(C[NH2+]CCC2SCCS2)ccc(F)c1F ZINC000703235363 781000023 /nfs/dbraw/zinc/00/00/23/781000023.db2.gz ZBKYHUALCQEVGM-UHFFFAOYSA-N 0 0 291.388 2.956 20 10 CFCDRN CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703261005 781001095 /nfs/dbraw/zinc/00/10/95/781001095.db2.gz MZZNUJCSMZICOP-SNVBAGLBSA-N 0 0 273.323 2.557 20 10 CFCDRN COCCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703272595 781001124 /nfs/dbraw/zinc/00/11/24/781001124.db2.gz HQURLMNVINAFTR-UHFFFAOYSA-N 0 0 259.296 2.575 20 10 CFCDRN CCOC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000703263553 781001620 /nfs/dbraw/zinc/00/16/20/781001620.db2.gz VQUZLWXKLRFTIH-GFCCVEGCSA-N 0 0 273.323 2.821 20 10 CFCDRN CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258962 781005230 /nfs/dbraw/zinc/00/52/30/781005230.db2.gz LKBIWAKWPKCZJN-SNVBAGLBSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258488 781005713 /nfs/dbraw/zinc/00/57/13/781005713.db2.gz GPHOQWCJIVQJCO-OIBJUYFYSA-N 0 0 259.321 2.654 20 10 CFCDRN CC(C)OCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703307837 781007783 /nfs/dbraw/zinc/00/77/83/781007783.db2.gz KQFZVKCQIWFJOS-UHFFFAOYSA-N 0 0 273.323 2.964 20 10 CFCDRN C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703393692 781014015 /nfs/dbraw/zinc/01/40/15/781014015.db2.gz BBFPQJPOAIGXKQ-VIFPVBQESA-N 0 0 267.275 2.984 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000703539420 781026203 /nfs/dbraw/zinc/02/62/03/781026203.db2.gz BLODUSIKVIQQOJ-KOLCDFICSA-N 0 0 271.307 2.670 20 10 CFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CCOCC1 ZINC000703556386 781030625 /nfs/dbraw/zinc/03/06/25/781030625.db2.gz NWWZGFIFLNKDHL-UHFFFAOYSA-N 0 0 271.307 2.529 20 10 CFCDRN CSc1ccc(-c2ncnc3c2ccn3C)cn1 ZINC001241631441 781032325 /nfs/dbraw/zinc/03/23/25/781032325.db2.gz SUIDCVNLTUKHEO-UHFFFAOYSA-N 0 0 256.334 2.752 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703566046 781037617 /nfs/dbraw/zinc/03/76/17/781037617.db2.gz USYQTOCCQQCEMV-ZJUUUORDSA-N 0 0 271.307 2.670 20 10 CFCDRN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137834527 781052339 /nfs/dbraw/zinc/05/23/39/781052339.db2.gz JXGOWWRITXNEKT-WBMJQRKESA-N 0 0 279.355 2.780 20 10 CFCDRN O=c1cc(-c2cnn(C3CCC3)c2)ccn1CC1CC1 ZINC001241725062 781097932 /nfs/dbraw/zinc/09/79/32/781097932.db2.gz UQTODTQISTXOEF-UHFFFAOYSA-N 0 0 269.348 2.847 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@H]2CCSC2)ccc(F)c1F ZINC000704820886 781121355 /nfs/dbraw/zinc/12/13/55/781121355.db2.gz FPDRUMRKHLNQQH-VIFPVBQESA-N 0 0 273.348 2.903 20 10 CFCDRN Oc1cccc(F)c1CN1CC(Oc2ccccc2)C1 ZINC001137837677 781141079 /nfs/dbraw/zinc/14/10/79/781141079.db2.gz QRLXJNOPDUZWHO-UHFFFAOYSA-N 0 0 273.307 2.795 20 10 CFCDRN CC1(C)C[N@H+](Cc2c([O-])cccc2F)CCCO1 ZINC001137837923 781143220 /nfs/dbraw/zinc/14/32/20/781143220.db2.gz ZGVOIICMGRXHIF-UHFFFAOYSA-N 0 0 253.317 2.532 20 10 CFCDRN Cc1cc(-c2cccc3c2ccn3C)c(=O)n(C)c1 ZINC001241822956 781144921 /nfs/dbraw/zinc/14/49/21/781144921.db2.gz HCNYNCLVGCOQRE-UHFFFAOYSA-N 0 0 252.317 2.852 20 10 CFCDRN CCOC(=O)[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137839129 781169815 /nfs/dbraw/zinc/16/98/15/781169815.db2.gz SLTFCTSNYZCTQU-GFCCVEGCSA-N 0 0 295.354 2.697 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000706854200 781206192 /nfs/dbraw/zinc/20/61/92/781206192.db2.gz VGMKJBAUSOFOGG-SNVBAGLBSA-N 0 0 298.180 2.937 20 10 CFCDRN Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000706854198 781206241 /nfs/dbraw/zinc/20/62/41/781206241.db2.gz VGMKJBAUSOFOGG-JTQLQIEISA-N 0 0 298.180 2.937 20 10 CFCDRN CCC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])OC ZINC000708497852 781291664 /nfs/dbraw/zinc/29/16/64/781291664.db2.gz VQJJHCYJQLYUHX-LLVKDONJSA-N 0 0 259.296 2.575 20 10 CFCDRN O=c1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c[nH]1 ZINC001242065765 781258260 /nfs/dbraw/zinc/25/82/60/781258260.db2.gz VDEAZGUJHRICTO-UHFFFAOYSA-N 0 0 296.301 2.803 20 10 CFCDRN Cc1cc(C2=CCOCC2)ccc1N1CCOCC1 ZINC001242077388 781268258 /nfs/dbraw/zinc/26/82/58/781268258.db2.gz PWVPHPZSEFQFCI-UHFFFAOYSA-N 0 0 259.349 2.635 20 10 CFCDRN CCOC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708414306 781273895 /nfs/dbraw/zinc/27/38/95/781273895.db2.gz QENIORNDHVLMOF-UHFFFAOYSA-N 0 0 271.307 2.671 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000708434749 781274853 /nfs/dbraw/zinc/27/48/53/781274853.db2.gz SOWNNPQEUZYSRV-UHFFFAOYSA-N 0 0 283.318 2.673 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC000708440602 781275263 /nfs/dbraw/zinc/27/52/63/781275263.db2.gz CXFYEWGLLGAMRS-CHWSQXEVSA-N 0 0 283.318 2.718 20 10 CFCDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000708424079 781275330 /nfs/dbraw/zinc/27/53/30/781275330.db2.gz VZDIXLDMUBFWII-LBPRGKRZSA-N 0 0 271.307 2.671 20 10 CFCDRN CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000709028625 781287842 /nfs/dbraw/zinc/28/78/42/781287842.db2.gz FLUHJCVRGKHBGE-CYBMUJFWSA-N 0 0 277.368 2.548 20 10 CFCDRN CSCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708495197 781291100 /nfs/dbraw/zinc/29/11/00/781291100.db2.gz UBTLUBRYVSMTFK-QMMMGPOBSA-N 0 0 261.337 2.902 20 10 CFCDRN CSCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708495196 781291215 /nfs/dbraw/zinc/29/12/15/781291215.db2.gz UBTLUBRYVSMTFK-MRVPVSSYSA-N 0 0 261.337 2.902 20 10 CFCDRN CC[C@H](CSC)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494915 781291521 /nfs/dbraw/zinc/29/15/21/781291521.db2.gz RGJWPYIDBPAYPG-SNVBAGLBSA-N 0 0 261.337 2.902 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1nccs1 ZINC000708518041 781292237 /nfs/dbraw/zinc/29/22/37/781292237.db2.gz YSTQBPAXJCKQSL-UHFFFAOYSA-N 0 0 284.331 2.849 20 10 CFCDRN COC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCCC1 ZINC000708516017 781292826 /nfs/dbraw/zinc/29/28/26/781292826.db2.gz CGZIWOQNRCIXND-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CC1(C)OCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534906 781292914 /nfs/dbraw/zinc/29/29/14/781292914.db2.gz GKIPUZFDCMOLKM-JTQLQIEISA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(F)F ZINC000708517877 781293030 /nfs/dbraw/zinc/29/30/30/781293030.db2.gz XBDPFPIIVHCGHJ-LLVKDONJSA-N 0 0 263.234 2.805 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)[C@]12C[C@H]1CCCC2 ZINC000709283829 781309258 /nfs/dbraw/zinc/30/92/58/781309258.db2.gz RFPRXKWFUHTROG-QEORTHHSSA-N 0 0 272.392 2.896 20 10 CFCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)C1CCCC1 ZINC000382870407 781364474 /nfs/dbraw/zinc/36/44/74/781364474.db2.gz QJNOHCRGIOUPSW-GFCCVEGCSA-N 0 0 263.337 2.796 20 10 CFCDRN CC[C@H](NC(=O)c1cccc(O)c1O)C1CCCC1 ZINC000382870408 781364567 /nfs/dbraw/zinc/36/45/67/781364567.db2.gz QJNOHCRGIOUPSW-LBPRGKRZSA-N 0 0 263.337 2.796 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000711548795 781455191 /nfs/dbraw/zinc/45/51/91/781455191.db2.gz MQJJTACQJDNAAS-TXEJJXNPSA-N 0 0 295.379 2.529 20 10 CFCDRN COc1cncc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001118254689 781538116 /nfs/dbraw/zinc/53/81/16/781538116.db2.gz IASKPNXQWIJANU-UHFFFAOYSA-N 0 0 284.363 2.698 20 10 CFCDRN O=c1cc(-c2cncc(N3CCCC3)c2)ccn1CC1CC1 ZINC001242622140 781652109 /nfs/dbraw/zinc/65/21/09/781652109.db2.gz JLUBXBYLWVPRQG-UHFFFAOYSA-N 0 0 295.386 2.921 20 10 CFCDRN Cc1nc([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)no1 ZINC001118681085 781704816 /nfs/dbraw/zinc/70/48/16/781704816.db2.gz QKFCAOXEQZFQFV-JTQLQIEISA-N 0 0 293.348 2.513 20 10 CFCDRN COC(=O)CNc1ccc(-n2c(C)ccc2C)cc1 ZINC001164562078 781729442 /nfs/dbraw/zinc/72/94/42/781729442.db2.gz JVIMKDFAGXTVJJ-UHFFFAOYSA-N 0 0 258.321 2.679 20 10 CFCDRN COc1ccc(-c2cc(=O)n(C)c3ccccc23)c(C)n1 ZINC001242930208 781852956 /nfs/dbraw/zinc/85/29/56/781852956.db2.gz TVOISVMZVNAELK-UHFFFAOYSA-N 0 0 280.327 2.918 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC=CCC1 ZINC000173206982 282295550 /nfs/dbraw/zinc/29/55/50/282295550.db2.gz VKWZTKNKBPTHEP-ZDUSSCGKSA-N 0 0 286.375 2.834 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000073915542 346985081 /nfs/dbraw/zinc/98/50/81/346985081.db2.gz KSNWMIMHPSAJFT-TXEJJXNPSA-N 0 0 293.386 2.689 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)nc1 ZINC000074217430 347003012 /nfs/dbraw/zinc/00/30/12/347003012.db2.gz MKLYGCZWWJOMHV-UHFFFAOYSA-N 0 0 299.349 2.751 20 10 CFCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@H](CO)c1ccccc1 ZINC000295102618 199346025 /nfs/dbraw/zinc/34/60/25/199346025.db2.gz SZSXUHVVHDJFKQ-OAHLLOKOSA-N 0 0 275.323 2.697 20 10 CFCDRN CSCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396843 346520996 /nfs/dbraw/zinc/52/09/96/346520996.db2.gz NZCUASHQMVCPHY-UHFFFAOYSA-N 0 0 292.448 2.998 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccn1 ZINC000052851212 346529449 /nfs/dbraw/zinc/52/94/49/346529449.db2.gz HNZUOXIGPVWOID-UHFFFAOYSA-N 0 0 283.375 2.810 20 10 CFCDRN CCS[C@@H](C(=O)NCc1ccccc1O)C(C)C ZINC000067157941 346793950 /nfs/dbraw/zinc/79/39/50/346793950.db2.gz HOBHVUFXAIIJJE-CYBMUJFWSA-N 0 0 267.394 2.786 20 10 CFCDRN CCc1nsc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000092650079 347636800 /nfs/dbraw/zinc/63/68/00/347636800.db2.gz WJNLEWPIHBJMIX-MRVPVSSYSA-N 0 0 279.365 2.988 20 10 CFCDRN C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000297159273 295867368 /nfs/dbraw/zinc/86/73/68/295867368.db2.gz CSKKRMXTRHYJSK-ZJUUUORDSA-N 0 0 273.323 2.730 20 10 CFCDRN CN(C)c1ccc(CNc2ncc(Cl)cn2)cc1 ZINC000301480358 540266399 /nfs/dbraw/zinc/26/63/99/540266399.db2.gz DJYWAJLVVZKLRO-UHFFFAOYSA-N 0 0 262.744 2.808 20 10 CFCDRN CC(F)(F)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000296048110 199764738 /nfs/dbraw/zinc/76/47/38/199764738.db2.gz OLBKXLPBLQHCCJ-UHFFFAOYSA-N 0 0 274.267 2.825 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294792455 199184378 /nfs/dbraw/zinc/18/43/78/199184378.db2.gz VIIBSPABRIELNE-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN C[C@H](NCC(F)(F)CO)c1ccc2ccccc2c1O ZINC000184703839 299278604 /nfs/dbraw/zinc/27/86/04/299278604.db2.gz YQIALYKBQMTLBX-JTQLQIEISA-N 0 0 281.302 2.824 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](SC)C2)cc1OC ZINC000294877860 199226921 /nfs/dbraw/zinc/22/69/21/199226921.db2.gz BSLXVMYDZSWKFO-SECBINFHSA-N 0 0 298.364 2.554 20 10 CFCDRN CC/C=C/CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298267608 200377405 /nfs/dbraw/zinc/37/74/05/200377405.db2.gz ASHFWXVGCJQTEE-VOTSOKGWSA-N 0 0 275.396 2.860 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296502338 299389323 /nfs/dbraw/zinc/38/93/23/299389323.db2.gz PBWPKJLLTJDNOP-TVQRCGJNSA-N 0 0 280.324 2.519 20 10 CFCDRN C[C@@H]([NH2+]CCCn1cccn1)c1ccc(F)c(F)c1[O-] ZINC000191195075 296124462 /nfs/dbraw/zinc/12/44/62/296124462.db2.gz HGHMLBAVOZDFRS-SNVBAGLBSA-N 0 0 281.306 2.608 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(F)cc1[O-] ZINC000279015624 296129501 /nfs/dbraw/zinc/12/95/01/296129501.db2.gz UFIJPJMZUNWAOL-NEPJUHHUSA-N 0 0 289.354 2.641 20 10 CFCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000015593715 372088436 /nfs/dbraw/zinc/08/84/36/372088436.db2.gz ISKZZXVWMVSOND-ZDUSSCGKSA-N 0 0 295.390 2.646 20 10 CFCDRN CCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841352 373959095 /nfs/dbraw/zinc/95/90/95/373959095.db2.gz YCPDPNPWJQKPEH-GFCCVEGCSA-N 0 0 296.386 2.713 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccnc(F)c1 ZINC000264168538 383703472 /nfs/dbraw/zinc/70/34/72/383703472.db2.gz ZPKWAIXOAFBSFX-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN CC[C@@H](C)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000113274461 376006163 /nfs/dbraw/zinc/00/61/63/376006163.db2.gz GJNWEOORAZDGNO-CYBMUJFWSA-N 0 0 298.452 2.560 20 10 CFCDRN Cc1c([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cnn1C ZINC000124705774 377079521 /nfs/dbraw/zinc/07/95/21/377079521.db2.gz IJGWKRHKPRVFME-SECBINFHSA-N 0 0 279.771 2.938 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCCC2(CCC2)C1 ZINC000366243835 296253970 /nfs/dbraw/zinc/25/39/70/296253970.db2.gz COKPIEPJGLQPJY-UHFFFAOYSA-N 0 0 261.321 2.504 20 10 CFCDRN CCOc1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000125301993 377140767 /nfs/dbraw/zinc/14/07/67/377140767.db2.gz HMMOXYSWSYGOPI-UHFFFAOYSA-N 0 0 296.374 2.864 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC(C(F)(F)F)CC1 ZINC000126458819 377227838 /nfs/dbraw/zinc/22/78/38/377227838.db2.gz SCOYYYPLOXUHNB-UHFFFAOYSA-N 0 0 289.253 2.512 20 10 CFCDRN CCn1cc(NCc2c(O)cccc2Cl)cn1 ZINC000127252884 377271367 /nfs/dbraw/zinc/27/13/67/377271367.db2.gz KCKAYJYKPXVRHA-UHFFFAOYSA-N 0 0 251.717 2.874 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc(C)n2)c1 ZINC000129967595 377497246 /nfs/dbraw/zinc/49/72/46/377497246.db2.gz PJOOSMRWYPVGLL-BQYQJAHWSA-N 0 0 267.332 2.770 20 10 CFCDRN COc1cc(N(C)C/C=C/Cl)cc(OC)c1OC ZINC000131063242 377652422 /nfs/dbraw/zinc/65/24/22/377652422.db2.gz GSXOSWJLPSWXFF-AATRIKPKSA-N 0 0 271.744 2.901 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000132758947 377873907 /nfs/dbraw/zinc/87/39/07/377873907.db2.gz YJXFTVWUIBVSTP-GXTWGEPZSA-N 0 0 267.756 2.799 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000135645089 378152939 /nfs/dbraw/zinc/15/29/39/378152939.db2.gz HODZWZKWQCFDJB-CHWSQXEVSA-N 0 0 269.772 2.829 20 10 CFCDRN CCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000151224621 378309833 /nfs/dbraw/zinc/30/98/33/378309833.db2.gz FLXNBKSCQRCZMM-UHFFFAOYSA-N 0 0 297.420 2.877 20 10 CFCDRN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1O ZINC000154987681 378606562 /nfs/dbraw/zinc/60/65/62/378606562.db2.gz CRIKOTDLDAOJAY-LLVKDONJSA-N 0 0 265.353 2.554 20 10 CFCDRN C[C@@H]1C[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000335834047 379965991 /nfs/dbraw/zinc/96/59/91/379965991.db2.gz LCZAZBZRZMNBSI-NEPJUHHUSA-N 0 0 274.364 2.524 20 10 CFCDRN CCC1(CNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000174954365 379968249 /nfs/dbraw/zinc/96/82/49/379968249.db2.gz LBLLUJPQCAMXSK-UHFFFAOYSA-N 0 0 262.353 2.724 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000177372767 380336323 /nfs/dbraw/zinc/33/63/23/380336323.db2.gz CWXUZPICYLZABI-NSHDSACASA-N 0 0 297.782 2.717 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000178459441 380453442 /nfs/dbraw/zinc/45/34/42/380453442.db2.gz XYDNRXQXGONQHY-SNVBAGLBSA-N 0 0 264.344 2.554 20 10 CFCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179110174 380510345 /nfs/dbraw/zinc/51/03/45/380510345.db2.gz LZWGRUZBDFDRHE-AWEZNQCLSA-N 0 0 290.407 2.718 20 10 CFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)c(O)c1O ZINC000179419699 380541524 /nfs/dbraw/zinc/54/15/24/380541524.db2.gz VZMHXCMACVBBNM-JTQLQIEISA-N 0 0 275.304 2.832 20 10 CFCDRN Cc1cccc(CN[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000180033505 380610812 /nfs/dbraw/zinc/61/08/12/380610812.db2.gz NSQXKNCANRGFJX-NSHDSACASA-N 0 0 265.353 2.520 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000180028189 380610974 /nfs/dbraw/zinc/61/09/74/380610974.db2.gz RLJDBGDMADULSF-LLVKDONJSA-N 0 0 269.772 2.965 20 10 CFCDRN CCC[C@](C)(NCc1cccc(C)c1O)C(=O)OC ZINC000180035977 380613628 /nfs/dbraw/zinc/61/36/28/380613628.db2.gz BKPOPSGGAFEQKB-HNNXBMFYSA-N 0 0 265.353 2.522 20 10 CFCDRN Cc1scc(C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000180416964 380655379 /nfs/dbraw/zinc/65/53/79/380655379.db2.gz KOLNLZACBYEWTC-UHFFFAOYSA-N 0 0 291.372 2.749 20 10 CFCDRN COCCC[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181193711 380755388 /nfs/dbraw/zinc/75/53/88/380755388.db2.gz LXGZCJJGFBAOAI-AWEZNQCLSA-N 0 0 292.423 2.774 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C2CC2)CCC1 ZINC000181249821 380765147 /nfs/dbraw/zinc/76/51/47/380765147.db2.gz LAKZJEYANBCIRB-XVNBXDOJSA-N 0 0 287.359 2.808 20 10 CFCDRN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000181041437 380729187 /nfs/dbraw/zinc/72/91/87/380729187.db2.gz BYWBOCVCDCSDBG-XBXARRHUSA-N 0 0 261.321 2.512 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC12CCCCC2 ZINC000181307611 380773281 /nfs/dbraw/zinc/77/32/81/380773281.db2.gz DOIUTSZJUVJPMF-KEDPEKRHSA-N 0 0 287.359 2.950 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CCCCO2)s1 ZINC000295389100 380824404 /nfs/dbraw/zinc/82/44/04/380824404.db2.gz UWXIXPJBYJMUFM-MRVPVSSYSA-N 0 0 273.379 2.591 20 10 CFCDRN COC(=O)c1cnc(SCC2CCC(=O)CC2)s1 ZINC000295360916 380809076 /nfs/dbraw/zinc/80/90/76/380809076.db2.gz RMOJXPXAWDWKLF-UHFFFAOYSA-N 0 0 285.390 2.781 20 10 CFCDRN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)CO1 ZINC000295433769 380853158 /nfs/dbraw/zinc/85/31/58/380853158.db2.gz TXKLSPZJNBAWIF-DTWKUNHWSA-N 0 0 273.735 2.794 20 10 CFCDRN CC(F)(F)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000295697074 381021956 /nfs/dbraw/zinc/02/19/56/381021956.db2.gz IRCWOXJMSLOQNN-GQCTYLIASA-N 0 0 285.290 2.663 20 10 CFCDRN O=C(Cc1ccncc1)NCc1c(O)ccc2c1CCCC2 ZINC000182132081 380998910 /nfs/dbraw/zinc/99/89/10/380998910.db2.gz JIPDKAHSEFMISW-UHFFFAOYSA-N 0 0 296.370 2.525 20 10 CFCDRN CCCCn1nccc1NC(=O)c1ccc(C)c(O)c1O ZINC000182275466 381045769 /nfs/dbraw/zinc/04/57/69/381045769.db2.gz NTAPTVUOLHRMBT-UHFFFAOYSA-N 0 0 289.335 2.655 20 10 CFCDRN CCC[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C ZINC000182533356 381107213 /nfs/dbraw/zinc/10/72/13/381107213.db2.gz XIQRXQMRSRHCTP-GFCCVEGCSA-N 0 0 265.353 2.786 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCc2ccc(O)c(O)c2)c(C)c1 ZINC000182548825 381108218 /nfs/dbraw/zinc/10/82/18/381108218.db2.gz LGIRPARMFHSXPX-UHFFFAOYSA-N 0 0 299.370 2.882 20 10 CFCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)c1cccnc1 ZINC000295891233 381139316 /nfs/dbraw/zinc/13/93/16/381139316.db2.gz BQPWDEHZBVHTHQ-GOSISDBHSA-N 0 0 298.386 2.967 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c(O)c1O ZINC000182891204 381179811 /nfs/dbraw/zinc/17/98/11/381179811.db2.gz SFZWAKBQTYJGRE-GHMZBOCLSA-N 0 0 277.364 2.914 20 10 CFCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCOCC1 ZINC000182928849 381182949 /nfs/dbraw/zinc/18/29/49/381182949.db2.gz UMCDOVDSOMCDNL-UHFFFAOYSA-N 0 0 299.370 2.803 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)CC2 ZINC000295999218 381205139 /nfs/dbraw/zinc/20/51/39/381205139.db2.gz OFOQGMYATCLYGD-GOEBONIOSA-N 0 0 287.334 2.842 20 10 CFCDRN CCC[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291268 381250903 /nfs/dbraw/zinc/25/09/03/381250903.db2.gz OWQBNTIOEYPWOW-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)cn1 ZINC000183551537 381287471 /nfs/dbraw/zinc/28/74/71/381287471.db2.gz OPVDPCHGHUSOSD-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccccc1 ZINC000183428204 381272315 /nfs/dbraw/zinc/27/23/15/381272315.db2.gz HIVGAGYQSMSGEJ-ZDUSSCGKSA-N 0 0 299.370 2.778 20 10 CFCDRN CC(C)c1nnc(CN[C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000296310801 381342847 /nfs/dbraw/zinc/34/28/47/381342847.db2.gz GHMGBYOTQADCRI-LBPRGKRZSA-N 0 0 287.411 2.845 20 10 CFCDRN C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000296468219 381410740 /nfs/dbraw/zinc/41/07/40/381410740.db2.gz NPWRATKSOTVVDJ-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296504155 381425246 /nfs/dbraw/zinc/42/52/46/381425246.db2.gz LSDUZJDVOVKLBB-OLZOCXBDSA-N 0 0 277.364 2.930 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)NCc2nnc(C3CC3)[nH]2)cc1 ZINC000296551355 381445475 /nfs/dbraw/zinc/44/54/75/381445475.db2.gz RNIPJLISMJDUEK-GFCCVEGCSA-N 0 0 299.422 2.989 20 10 CFCDRN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(O)c1O ZINC000184774571 381475808 /nfs/dbraw/zinc/47/58/08/381475808.db2.gz GKUQLOSEUUJBNU-UHFFFAOYSA-N 0 0 295.298 2.740 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(F)cc1[O-] ZINC000296600768 381467100 /nfs/dbraw/zinc/46/71/00/381467100.db2.gz VOSAROPZKZTAOL-TVQRCGJNSA-N 0 0 253.317 2.749 20 10 CFCDRN CC/C=C/C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296653836 381491209 /nfs/dbraw/zinc/49/12/09/381491209.db2.gz ZCOUSJHXZWIDGA-YEZKRMTDSA-N 0 0 250.298 2.917 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(F)cc1[O-] ZINC000296653732 381492023 /nfs/dbraw/zinc/49/20/23/381492023.db2.gz ZBSLHOFLKZKYII-SCDSUCTJSA-N 0 0 267.344 2.733 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCSC ZINC000298140811 381579683 /nfs/dbraw/zinc/57/96/83/381579683.db2.gz IFIQHIYCRKPGOT-UHFFFAOYSA-N 0 0 280.437 2.854 20 10 CFCDRN CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298281459 381582133 /nfs/dbraw/zinc/58/21/33/381582133.db2.gz FBFKPXDUIGJOIB-UHFFFAOYSA-N 0 0 272.348 2.894 20 10 CFCDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccccn1 ZINC000298415882 381617009 /nfs/dbraw/zinc/61/70/09/381617009.db2.gz PKWLYXFJKDNNPZ-RISCZKNCSA-N 0 0 283.375 2.875 20 10 CFCDRN Cc1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298694351 381713920 /nfs/dbraw/zinc/71/39/20/381713920.db2.gz FCIKDHSCLUYFFO-UHFFFAOYSA-N 0 0 286.379 2.609 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000185652243 381694157 /nfs/dbraw/zinc/69/41/57/381694157.db2.gz GNPSMLYRWIGVJW-TZMCWYRMSA-N 0 0 289.350 2.958 20 10 CFCDRN COCC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000292798736 381840331 /nfs/dbraw/zinc/84/03/31/381840331.db2.gz NGCMLYLRXWGPQE-UHFFFAOYSA-N 0 0 257.761 2.808 20 10 CFCDRN Cc1ccc(C(=O)N2CCCC[C@H](C)C2)c(O)c1O ZINC000186441360 381910827 /nfs/dbraw/zinc/91/08/27/381910827.db2.gz NDXXLELGBAJZJI-JTQLQIEISA-N 0 0 263.337 2.668 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373491821 382017135 /nfs/dbraw/zinc/01/71/35/382017135.db2.gz YSFYZIDFVNEUQM-DGCLKSJQSA-N 0 0 285.746 2.938 20 10 CFCDRN Cc1ccnc(NC(=O)NCc2ccc3c(c2)CCN3C)c1 ZINC000373545328 382018510 /nfs/dbraw/zinc/01/85/10/382018510.db2.gz SOYIXGOGMJRKAZ-UHFFFAOYSA-N 0 0 296.374 2.704 20 10 CFCDRN CC(C)OCCCC(=O)NCc1ccc2c(c1)CCN2C ZINC000373598570 382020165 /nfs/dbraw/zinc/02/01/65/382020165.db2.gz UZXPZSSAJVVLON-UHFFFAOYSA-N 0 0 290.407 2.500 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000375883502 382109684 /nfs/dbraw/zinc/10/96/84/382109684.db2.gz CJXCOUKMDJIKQX-OCCSQVGLSA-N 0 0 289.354 2.853 20 10 CFCDRN O=C(N[C@H]1CCCOc2ccccc21)c1cccc(O)c1O ZINC000187056982 382087606 /nfs/dbraw/zinc/08/76/06/382087606.db2.gz HRBPGJBWLCWRJF-ZDUSSCGKSA-N 0 0 299.326 2.742 20 10 CFCDRN Nc1ccc([N+](=O)[O-])c(N2CC=C(c3cccnc3)CC2)c1 ZINC000375698030 382096360 /nfs/dbraw/zinc/09/63/60/382096360.db2.gz QGISPFMTDABSKW-UHFFFAOYSA-N 0 0 296.330 2.866 20 10 CFCDRN COc1cccc(CNc2ccc([N+](=O)[O-])c(C)n2)c1O ZINC000301615909 382182952 /nfs/dbraw/zinc/18/29/52/382182952.db2.gz BRLXZEXHFPIACS-UHFFFAOYSA-N 0 0 289.291 2.625 20 10 CFCDRN CN1CCc2cc(CNC(=O)C(C3CC3)C3CC3)ccc21 ZINC000376337637 382130314 /nfs/dbraw/zinc/13/03/14/382130314.db2.gz YEZPVKBVZDNFOE-UHFFFAOYSA-N 0 0 284.403 2.731 20 10 CFCDRN Cc1ccnc(N2CC=C(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000376535946 382140294 /nfs/dbraw/zinc/14/02/94/382140294.db2.gz REWJWNPFANLDRE-UHFFFAOYSA-N 0 0 296.330 2.987 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1CC1 ZINC000293579289 382185021 /nfs/dbraw/zinc/18/50/21/382185021.db2.gz JPKAHEQXVDKLFX-ONGXEEELSA-N 0 0 298.789 2.900 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCOCC1CC1 ZINC000293697915 382238177 /nfs/dbraw/zinc/23/81/77/382238177.db2.gz SWFFGUZYQOLPRL-UHFFFAOYSA-N 0 0 273.735 2.701 20 10 CFCDRN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187685708 382246099 /nfs/dbraw/zinc/24/60/99/382246099.db2.gz BXAKBHQOVXRLAA-MRVPVSSYSA-N 0 0 295.333 2.872 20 10 CFCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccccc1O ZINC000377340840 382256040 /nfs/dbraw/zinc/25/60/40/382256040.db2.gz ZHTHMPCTIALTMO-ZBEGNZNMSA-N 0 0 298.342 2.714 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1C=CCCC1 ZINC000187717967 382257001 /nfs/dbraw/zinc/25/70/01/382257001.db2.gz PSQVVFIEEFKSEQ-CHWSQXEVSA-N 0 0 289.375 2.891 20 10 CFCDRN CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187753639 382262947 /nfs/dbraw/zinc/26/29/47/382262947.db2.gz JWBUOCCCBGHOJZ-NXEZZACHSA-N 0 0 273.323 2.730 20 10 CFCDRN Cc1ccc(O)c(CNc2cnc3c(n2)CCCC3)c1 ZINC000377428479 382269178 /nfs/dbraw/zinc/26/91/78/382269178.db2.gz OHSSCIJHFISCQD-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN COc1ccc(O)c(C[NH2+]C2CC(c3ccccn3)C2)c1 ZINC000377645168 382310961 /nfs/dbraw/zinc/31/09/61/382310961.db2.gz HXTIZDFHMAFWQG-UHFFFAOYSA-N 0 0 284.359 2.832 20 10 CFCDRN CC[C@@H](C)CC(=O)NCc1ccc2c(c1)CCN2C ZINC000364507897 382321243 /nfs/dbraw/zinc/32/12/43/382321243.db2.gz JHKFPGGAFKGQBF-GFCCVEGCSA-N 0 0 260.381 2.731 20 10 CFCDRN Cc1nc([C@H](C)N2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000377827610 382353738 /nfs/dbraw/zinc/35/37/38/382353738.db2.gz YILXCXHXBYFHMW-LBPRGKRZSA-N 0 0 298.390 2.904 20 10 CFCDRN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc(Cl)c1[O-] ZINC000294122220 382423098 /nfs/dbraw/zinc/42/30/98/382423098.db2.gz KUQLKGIMWZADOO-UHIISALHSA-N 0 0 299.798 2.626 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc(Cl)c1[O-] ZINC000294122217 382423562 /nfs/dbraw/zinc/42/35/62/382423562.db2.gz KUQLKGIMWZADOO-SUNKGSAMSA-N 0 0 299.798 2.626 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1c1ccccc1F ZINC000365753767 382436700 /nfs/dbraw/zinc/43/67/00/382436700.db2.gz OCUHRASSTVEJLD-ZDUSSCGKSA-N 0 0 287.290 2.824 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000294200622 382456522 /nfs/dbraw/zinc/45/65/22/382456522.db2.gz KVMXGBOXNNVDDX-UHFFFAOYSA-N 0 0 283.734 2.561 20 10 CFCDRN COc1ccc(O)c(CN[C@@H]2COc3cccc(F)c32)c1 ZINC000378629164 382494081 /nfs/dbraw/zinc/49/40/81/382494081.db2.gz DLPUISINUNAITR-CYBMUJFWSA-N 0 0 289.306 2.763 20 10 CFCDRN CCC[C@@H](OC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294708491 382525125 /nfs/dbraw/zinc/52/51/25/382525125.db2.gz LQIVCANFUSXMFD-MRXNPFEDSA-N 0 0 290.407 2.500 20 10 CFCDRN CN(C)c1ccc(CNCc2cc(F)ncc2F)cc1 ZINC000294756945 382527190 /nfs/dbraw/zinc/52/71/90/382527190.db2.gz LJFNGXYAPRBUOV-UHFFFAOYSA-N 0 0 277.318 2.716 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000294404776 382513123 /nfs/dbraw/zinc/51/31/23/382513123.db2.gz WCOUYXBPAXBYIU-SNVBAGLBSA-N 0 0 273.735 2.843 20 10 CFCDRN COC(=O)c1cnc(S[C@H](C)C(F)(F)F)s1 ZINC000294921042 382545015 /nfs/dbraw/zinc/54/50/15/382545015.db2.gz CIJAPYZZWXMLBF-SCSAIBSYSA-N 0 0 271.285 2.973 20 10 CFCDRN O=C(CSC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000295077333 382572955 /nfs/dbraw/zinc/57/29/55/382572955.db2.gz VHVLEBIECNAXOA-UHFFFAOYSA-N 0 0 291.416 2.783 20 10 CFCDRN CC(C)c1nnc(CN(C)Cc2ccccc2O)s1 ZINC000294862135 382533860 /nfs/dbraw/zinc/53/38/60/382533860.db2.gz DGOGDVLISPMMFN-UHFFFAOYSA-N 0 0 277.393 2.999 20 10 CFCDRN COC(=O)c1cnc(SCc2noc(C(C)C)n2)s1 ZINC000295272224 382604247 /nfs/dbraw/zinc/60/42/47/382604247.db2.gz JSWNPWSBCYPAGT-UHFFFAOYSA-N 0 0 299.377 2.728 20 10 CFCDRN COc1cc(NS(=O)(=O)C2=CCCCC2)ccc1O ZINC000295273469 382605583 /nfs/dbraw/zinc/60/55/83/382605583.db2.gz ZLYIUDGBHGJTKD-UHFFFAOYSA-N 0 0 283.349 2.600 20 10 CFCDRN COC(=O)c1cnc(SCc2ncccc2C)s1 ZINC000295336230 382619690 /nfs/dbraw/zinc/61/96/90/382619690.db2.gz PLEVMVGEPZSFOU-UHFFFAOYSA-N 0 0 280.374 2.925 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cnns1 ZINC000190782009 382680557 /nfs/dbraw/zinc/68/05/57/382680557.db2.gz AQCNTQBDLCVNAE-UHFFFAOYSA-N 0 0 292.364 2.688 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[C@H]1C ZINC000471672554 383377662 /nfs/dbraw/zinc/37/76/62/383377662.db2.gz ZTEAUQBCHOLDDF-YPMHNXCESA-N 0 0 285.391 2.942 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(F)c1 ZINC000255379618 383480687 /nfs/dbraw/zinc/48/06/87/383480687.db2.gz WMFOTIQDCQFMAA-DJWKRKHSSA-N 0 0 298.317 2.832 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528823068 383648119 /nfs/dbraw/zinc/64/81/19/383648119.db2.gz FWYYTZLFKZCXAK-ZWNOBZJWSA-N 0 0 298.180 2.524 20 10 CFCDRN CC(C)c1nc(C(=O)NCCc2ccc(N)cc2)cs1 ZINC000262580114 383629037 /nfs/dbraw/zinc/62/90/37/383629037.db2.gz NXUBNUMVTAERIB-UHFFFAOYSA-N 0 0 289.404 2.821 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCSC2)c1[O-] ZINC000266145838 384093397 /nfs/dbraw/zinc/09/33/97/384093397.db2.gz IQNSVXQDDIYSOF-VIFPVBQESA-N 0 0 288.756 2.549 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](O)C1 ZINC000267265946 384339819 /nfs/dbraw/zinc/33/98/19/384339819.db2.gz XPCGIEHOMLSMQE-HNNXBMFYSA-N 0 0 298.386 2.609 20 10 CFCDRN CCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000267290363 384348632 /nfs/dbraw/zinc/34/86/32/384348632.db2.gz ZMYSCHKGWFLAJO-UHFFFAOYSA-N 0 0 264.344 2.698 20 10 CFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C ZINC000267693051 384444076 /nfs/dbraw/zinc/44/40/76/384444076.db2.gz IDFLRXYKZJWTSS-GASCZTMLSA-N 0 0 299.418 2.860 20 10 CFCDRN COc1ccc(N2CCN(c3cc(C)ccn3)CC2)cc1 ZINC000268294385 384592667 /nfs/dbraw/zinc/59/26/67/384592667.db2.gz FJENHFYJCICZDI-UHFFFAOYSA-N 0 0 283.375 2.725 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccc(OC)s2)SC1=S ZINC000268563185 384634238 /nfs/dbraw/zinc/63/42/38/384634238.db2.gz GCZWJYXWIWUDTH-SOFGYWHQSA-N 0 0 285.415 2.978 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CCO)cc1 ZINC000268746240 384655511 /nfs/dbraw/zinc/65/55/11/384655511.db2.gz SCUKUGIXEZKKAG-LBPRGKRZSA-N 0 0 286.375 2.595 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1 ZINC000268870470 384682422 /nfs/dbraw/zinc/68/24/22/384682422.db2.gz SRDGYXCZEQLEBK-UHFFFAOYSA-N 0 0 272.348 2.783 20 10 CFCDRN COc1ccc(N(C)CCCCCCO)c(OC)c1 ZINC000269763129 384864560 /nfs/dbraw/zinc/86/45/60/384864560.db2.gz CSUBMYMDJZSITC-UHFFFAOYSA-N 0 0 267.369 2.693 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2CC=C(C)CC2)c1O ZINC000270376604 385077825 /nfs/dbraw/zinc/07/78/25/385077825.db2.gz VHZDRIKAIMUDOZ-UHFFFAOYSA-N 0 0 263.312 2.886 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c(O)c1O ZINC000282339555 385287716 /nfs/dbraw/zinc/28/77/16/385287716.db2.gz WFIUSTQUDOHUFD-SNVBAGLBSA-N 0 0 299.317 2.962 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000271008254 385300557 /nfs/dbraw/zinc/30/05/57/385300557.db2.gz OLHAOZOZCUCCNB-SNVBAGLBSA-N 0 0 276.163 2.656 20 10 CFCDRN CN(C)c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1F ZINC000271106877 385338441 /nfs/dbraw/zinc/33/84/41/385338441.db2.gz BBNWFHCYVVFMAT-JKSUJKDBSA-N 0 0 278.371 2.645 20 10 CFCDRN COc1ccc(CN(C)c2ccc(OC(C)C)cc2)nn1 ZINC000282594555 385347853 /nfs/dbraw/zinc/34/78/53/385347853.db2.gz XICWRAYPOZVPHZ-UHFFFAOYSA-N 0 0 287.363 2.909 20 10 CFCDRN CCOc1ccc(N(CC)Cc2ccnn2C)cc1 ZINC000271403936 385381585 /nfs/dbraw/zinc/38/15/85/385381585.db2.gz IRGLZYFYFOQUAH-UHFFFAOYSA-N 0 0 259.353 2.845 20 10 CFCDRN Oc1ccccc1CNc1cc(NCC2CC2)ncn1 ZINC000271606878 385386660 /nfs/dbraw/zinc/38/66/60/385386660.db2.gz JILOINSYPZTHKG-UHFFFAOYSA-N 0 0 270.336 2.616 20 10 CFCDRN CC(C)c1cc(C(=O)NCc2ccccc2O)cc(=O)[nH]1 ZINC000271677544 385387843 /nfs/dbraw/zinc/38/78/43/385387843.db2.gz AYGPIADFDGMQPF-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN CCSCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000282952917 385415245 /nfs/dbraw/zinc/41/52/45/385415245.db2.gz VNLLTKYZFHLLIC-UHFFFAOYSA-N 0 0 295.452 2.695 20 10 CFCDRN CCOc1cccc(C[NH2+]C(CC)(CC)CCO)c1O ZINC000282996696 385421612 /nfs/dbraw/zinc/42/16/12/385421612.db2.gz NLPOLJKQIPBNMF-UHFFFAOYSA-N 0 0 281.396 2.822 20 10 CFCDRN COC(=O)COc1ccc(N(C)CCSC(C)C)cc1 ZINC000283058203 385430649 /nfs/dbraw/zinc/43/06/49/385430649.db2.gz JIIRJNISLDCRNH-UHFFFAOYSA-N 0 0 297.420 2.816 20 10 CFCDRN Cc1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)[nH]n1 ZINC000283108022 385437696 /nfs/dbraw/zinc/43/76/96/385437696.db2.gz UGBGZVSSIOJSKN-LBPRGKRZSA-N 0 0 289.354 2.942 20 10 CFCDRN CC[C@H]([NH2+]CC(C)(C)CCO)c1ccc(F)cc1[O-] ZINC000285953848 385558476 /nfs/dbraw/zinc/55/84/76/385558476.db2.gz GHIHAOOIFZQGCI-ZDUSSCGKSA-N 0 0 269.360 2.981 20 10 CFCDRN CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286046262 385559612 /nfs/dbraw/zinc/55/96/12/385559612.db2.gz KVMNJJAUNFOGMY-GXTWGEPZSA-N 0 0 294.370 2.583 20 10 CFCDRN CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000286046266 385559739 /nfs/dbraw/zinc/55/97/39/385559739.db2.gz KVMNJJAUNFOGMY-JSGCOSHPSA-N 0 0 294.370 2.583 20 10 CFCDRN CN(CC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555707 385564226 /nfs/dbraw/zinc/56/42/26/385564226.db2.gz ZKFRUBIERYFONC-SOFGYWHQSA-N 0 0 263.337 2.616 20 10 CFCDRN CC[C@@H]([NH2+]CC1(C)COC1)c1ccc(F)cc1[O-] ZINC000286193082 385569401 /nfs/dbraw/zinc/56/94/01/385569401.db2.gz RIVVPEASMZEGGU-GFCCVEGCSA-N 0 0 253.317 2.609 20 10 CFCDRN Cc1ccc(C(=O)N[C@H](C)CCc2ccco2)c(O)c1O ZINC000272655419 385583879 /nfs/dbraw/zinc/58/38/79/385583879.db2.gz LMGVQJSRXLFCOK-LLVKDONJSA-N 0 0 289.331 2.750 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccccc2O)CCO1 ZINC000272767898 385609334 /nfs/dbraw/zinc/60/93/34/385609334.db2.gz GZOIIWFDDMZBGZ-BBRMVZONSA-N 0 0 291.391 2.850 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2C(C)C)c(O)c1O ZINC000272869397 385637849 /nfs/dbraw/zinc/63/78/49/385637849.db2.gz VZKRLCFCDJUDPQ-GFCCVEGCSA-N 0 0 263.337 2.667 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)SC)c1 ZINC000273364160 385679615 /nfs/dbraw/zinc/67/96/15/385679615.db2.gz AXIVCQRVAXWMCK-SNVBAGLBSA-N 0 0 297.420 2.971 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273426603 385682550 /nfs/dbraw/zinc/68/25/50/385682550.db2.gz UHSLSUQPBLBSFJ-ZJUUUORDSA-N 0 0 255.745 2.733 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)SC)c1 ZINC000273447809 385682982 /nfs/dbraw/zinc/68/29/82/385682982.db2.gz FLVYNACPRQGTFN-VHSXEESVSA-N 0 0 283.393 2.581 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000273491857 385684770 /nfs/dbraw/zinc/68/47/70/385684770.db2.gz OLCMRSCUJCEKKS-YPMHNXCESA-N 0 0 275.348 2.938 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000273491853 385685112 /nfs/dbraw/zinc/68/51/12/385685112.db2.gz OLCMRSCUJCEKKS-DGCLKSJQSA-N 0 0 275.348 2.938 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)c1 ZINC000273550384 385687560 /nfs/dbraw/zinc/68/75/60/385687560.db2.gz FSZSGXLBIFSNNG-IAQYHMDHSA-N 0 0 295.379 2.500 20 10 CFCDRN CC[C@H](C)CCC(=O)NCc1cccc(OC)c1O ZINC000286700796 385691102 /nfs/dbraw/zinc/69/11/02/385691102.db2.gz HNSZVMBWFXDSDH-NSHDSACASA-N 0 0 265.353 2.843 20 10 CFCDRN CC[C@H](C)CCC(=O)NCc1ccc(O)c(O)c1 ZINC000286711054 385692930 /nfs/dbraw/zinc/69/29/30/385692930.db2.gz IIBSTUOCXNXBKS-JTQLQIEISA-N 0 0 251.326 2.540 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCSC(C)C)c1 ZINC000287090475 385779849 /nfs/dbraw/zinc/77/98/49/385779849.db2.gz PIMUOLPQUDHPJF-LLVKDONJSA-N 0 0 297.420 2.971 20 10 CFCDRN CCN(CC(C)C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372467450 393449275 /nfs/dbraw/zinc/44/92/75/393449275.db2.gz VHDHBFQUXRRTIH-UHFFFAOYSA-N 0 0 289.423 2.866 20 10 CFCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372454050 393450332 /nfs/dbraw/zinc/45/03/32/393450332.db2.gz LFIQKKCQRLWNFB-QWHCGFSZSA-N 0 0 287.407 2.619 20 10 CFCDRN CN(C)c1ccc(CNc2ncc(Cl)cn2)cc1F ZINC000301490034 393474138 /nfs/dbraw/zinc/47/41/38/393474138.db2.gz LVIAVUKHICLEIL-UHFFFAOYSA-N 0 0 280.734 2.947 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)CC(F)(F)F)C2)cc1 ZINC000374284278 393490619 /nfs/dbraw/zinc/49/06/19/393490619.db2.gz SIVXSVCZVQYHTQ-UHFFFAOYSA-N 0 0 298.308 2.931 20 10 CFCDRN CN(C)c1ccc(C2=CCN(C(=O)c3ccncc3)C2)cc1 ZINC000374283910 393490914 /nfs/dbraw/zinc/49/09/14/393490914.db2.gz QBKDZGNXZJJPAQ-UHFFFAOYSA-N 0 0 293.370 2.687 20 10 CFCDRN CCN(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C1CC1 ZINC000187690154 393555478 /nfs/dbraw/zinc/55/54/78/393555478.db2.gz YWOPKASWZRJDFG-JTQLQIEISA-N 0 0 284.350 2.805 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000120133339 393930184 /nfs/dbraw/zinc/93/01/84/393930184.db2.gz KNTYMHHLAVMGFL-UHFFFAOYSA-N 0 0 286.423 2.898 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccc1 ZINC000120566168 393935945 /nfs/dbraw/zinc/93/59/45/393935945.db2.gz ISOBGUWPZAXPLV-KRWDZBQOSA-N 0 0 299.370 2.864 20 10 CFCDRN COC(=O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000121872852 393961048 /nfs/dbraw/zinc/96/10/48/393961048.db2.gz KBUCGMVHJKWKEE-UHFFFAOYSA-N 0 0 293.294 2.607 20 10 CFCDRN Cc1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)no1 ZINC000122907362 393973601 /nfs/dbraw/zinc/97/36/01/393973601.db2.gz SUUWQQWEHBWHSH-UHFFFAOYSA-N 0 0 277.343 2.820 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCOCc3ccccc32)c1 ZINC000492684328 394074861 /nfs/dbraw/zinc/07/48/61/394074861.db2.gz YQUXAECKUONFGG-SREVYHEPSA-N 0 0 294.354 2.967 20 10 CFCDRN C[C@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000492862254 394084154 /nfs/dbraw/zinc/08/41/54/394084154.db2.gz QTMQRMCGUQKPDV-ZADCQDASSA-N 0 0 253.305 2.573 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCCc2ccccc21 ZINC000492891879 394090455 /nfs/dbraw/zinc/09/04/55/394090455.db2.gz DDUCDFOZROINPR-HJWRWDBZSA-N 0 0 267.332 2.792 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 ZINC000492913625 394096644 /nfs/dbraw/zinc/09/66/44/394096644.db2.gz RAWXEZRBNGOCDC-NNNHXZLVSA-N 0 0 265.316 2.640 20 10 CFCDRN Cn1ccc(/C=C\C(=O)N2CCN(C)Cc3ccccc32)c1 ZINC000493036733 394130340 /nfs/dbraw/zinc/13/03/40/394130340.db2.gz DIPJZYZTPMMVIS-FPLPWBNLSA-N 0 0 295.386 2.517 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1CCCc2cc(F)ccc21 ZINC000493398163 394231571 /nfs/dbraw/zinc/23/15/71/394231571.db2.gz WHSKKLXVIZHGQM-XQRVVYSFSA-N 0 0 271.295 2.541 20 10 CFCDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc(F)n1 ZINC000493561942 394278467 /nfs/dbraw/zinc/27/84/67/394278467.db2.gz UDWGLJUDNLTEQX-SREVYHEPSA-N 0 0 277.324 2.662 20 10 CFCDRN COc1ccc(N2CCC(N(C)c3ncccn3)CC2)cc1 ZINC000370814353 394291837 /nfs/dbraw/zinc/29/18/37/394291837.db2.gz DDBCJEMYRKZYFP-UHFFFAOYSA-N 0 0 298.390 2.590 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000297031074 394312801 /nfs/dbraw/zinc/31/28/01/394312801.db2.gz BPBQVCOURMHCOJ-CHWSQXEVSA-N 0 0 287.407 2.619 20 10 CFCDRN COC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264519671 292044563 /nfs/dbraw/zinc/04/45/63/292044563.db2.gz KXXPSBPJOVEIJE-UHFFFAOYSA-N 0 0 290.407 2.669 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](CC(C)C)C2)c(O)c1O ZINC000179530868 292061899 /nfs/dbraw/zinc/06/18/99/292061899.db2.gz FZUMCVHRJGVAKF-LBPRGKRZSA-N 0 0 277.364 2.914 20 10 CFCDRN COC(C)(C)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000174552935 292075900 /nfs/dbraw/zinc/07/59/00/292075900.db2.gz IAVZPDSBBHCRDK-JTQLQIEISA-N 0 0 282.340 2.594 20 10 CFCDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185438586 286810549 /nfs/dbraw/zinc/81/05/49/286810549.db2.gz UTSIAPFQFIGBPM-ISTVAULSSA-N 0 0 255.333 2.589 20 10 CFCDRN CC[C@@H]([NH2+]CC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000287631298 286902785 /nfs/dbraw/zinc/90/27/85/286902785.db2.gz KJPIPQJFTTYLQN-LLVKDONJSA-N 0 0 257.761 2.857 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)C2)cc1 ZINC000024831055 171441658 /nfs/dbraw/zinc/44/16/58/171441658.db2.gz NPYXZLYKVDRFAL-HNNXBMFYSA-N 0 0 298.386 2.955 20 10 CFCDRN Cc1cnc(F)c(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001243167231 782028760 /nfs/dbraw/zinc/02/87/60/782028760.db2.gz QAMGWUIIXDNIOT-UHFFFAOYSA-N 0 0 295.317 2.801 20 10 CFCDRN Cc1cc(C(=O)N(C)C2CC2)c(C)n1-c1ccccn1 ZINC000299249056 263236094 /nfs/dbraw/zinc/23/60/94/263236094.db2.gz LVXVPRZTGKKCHH-UHFFFAOYSA-N 0 0 269.348 2.724 20 10 CFCDRN Cn1cnc(/C=C/C(=O)N2CC(C)(C)Oc3ccccc32)c1 ZINC000934928807 649856453 /nfs/dbraw/zinc/85/64/53/649856453.db2.gz VCFRRBILUURGES-CMDGGOBGSA-N 0 0 297.358 2.638 20 10 CFCDRN CC(C)c1ccc(C(=O)NCc2ccccc2O)c(=O)[nH]1 ZINC000934935939 649858531 /nfs/dbraw/zinc/85/85/31/649858531.db2.gz PWKJCQGLZYPJCE-UHFFFAOYSA-N 0 0 286.331 2.546 20 10 CFCDRN CC[C@H](c1ccccc1O)N1CC(F)(F)C[C@@H]1CO ZINC000368037699 267140109 /nfs/dbraw/zinc/14/01/09/267140109.db2.gz NMKNGVHHGABUTC-ZYHUDNBSSA-N 0 0 271.307 2.545 20 10 CFCDRN CN1CCc2cc(C[NH2+]Cc3cccc(F)c3[O-])ccc21 ZINC000369804218 267268254 /nfs/dbraw/zinc/26/82/54/267268254.db2.gz FKYUZMROMQJKDI-UHFFFAOYSA-N 0 0 286.350 2.813 20 10 CFCDRN Cc1ccc(C(=O)N2CC3(CCC3)C[C@H]2C)c(O)c1O ZINC000370632342 267332443 /nfs/dbraw/zinc/33/24/43/267332443.db2.gz ZPPPUMOOIZTHND-LLVKDONJSA-N 0 0 275.348 2.811 20 10 CFCDRN Cc1occc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372236554 267533258 /nfs/dbraw/zinc/53/32/58/267533258.db2.gz OHNDAXWJJLUUPH-UHFFFAOYSA-N 0 0 270.332 2.510 20 10 CFCDRN Cc1cc(C)c(C(=O)NCc2ccc3c(c2)CCN3C)o1 ZINC000372289871 267542163 /nfs/dbraw/zinc/54/21/63/267542163.db2.gz SHHKDSYPYPPXBL-UHFFFAOYSA-N 0 0 284.359 2.819 20 10 CFCDRN CC[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000372456190 267568175 /nfs/dbraw/zinc/56/81/75/267568175.db2.gz VLAZJEHVRNAYRT-HNNXBMFYSA-N 0 0 287.407 2.763 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000365841128 274090058 /nfs/dbraw/zinc/09/00/58/274090058.db2.gz USFQCTPVMPYVRT-UHFFFAOYSA-N 0 0 292.335 2.828 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278334936 274090203 /nfs/dbraw/zinc/09/02/03/274090203.db2.gz ZTQWVKYLHXEYFM-MNOVXSKESA-N 0 0 294.351 2.929 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000246207299 276175226 /nfs/dbraw/zinc/17/52/26/276175226.db2.gz NIAJWIUCUCSRRX-DGCLKSJQSA-N 0 0 266.360 2.666 20 10 CFCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000263693594 277306705 /nfs/dbraw/zinc/30/67/05/277306705.db2.gz KHEVUCIWTOXYLD-DUMNWFOQSA-N 0 0 290.319 2.627 20 10 CFCDRN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276891078 277745436 /nfs/dbraw/zinc/74/54/36/277745436.db2.gz HQFZWVBFZCSVKI-OHINUGQQSA-N 0 0 271.307 2.648 20 10 CFCDRN C[C@@H]1c2cccn2CCN1Cc1cccc(F)c1O ZINC000272311706 289092485 /nfs/dbraw/zinc/09/24/85/289092485.db2.gz RRTHPTXLTWCNBZ-LLVKDONJSA-N 0 0 260.312 2.910 20 10 CFCDRN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000295602510 297031686 /nfs/dbraw/zinc/03/16/86/297031686.db2.gz DASHLKNORFYOTL-GFCCVEGCSA-N 0 0 294.826 2.962 20 10 CFCDRN Nc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000063063463 295354598 /nfs/dbraw/zinc/35/45/98/295354598.db2.gz MTRRYERMTMFFTL-OAHLLOKOSA-N 0 0 268.316 2.521 20 10 CFCDRN CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000279034787 295583010 /nfs/dbraw/zinc/58/30/10/295583010.db2.gz ITYGDGZYOVGGTJ-SECBINFHSA-N 0 0 282.365 2.847 20 10 CFCDRN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c(O)c1O ZINC000182891164 301514672 /nfs/dbraw/zinc/51/46/72/301514672.db2.gz SFZWAKBQTYJGRE-MNOVXSKESA-N 0 0 277.364 2.914 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N2CCOc3ccccc32)s1 ZINC000112234310 328392350 /nfs/dbraw/zinc/39/23/50/328392350.db2.gz LBYUGWRCLAIWFQ-VOTSOKGWSA-N 0 0 286.356 2.890 20 10 CFCDRN CCOc1nccnc1NCc1c(C)c2ccccc2n1C ZINC000530534626 326853993 /nfs/dbraw/zinc/85/39/93/326853993.db2.gz MQBPXHBFQVUWPQ-UHFFFAOYSA-N 0 0 296.374 2.709 20 10 CFCDRN CN1CCN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc21 ZINC000255669043 327004063 /nfs/dbraw/zinc/00/40/63/327004063.db2.gz ATCHYXVWGAKFHS-DAXSKMNVSA-N 0 0 297.333 2.717 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(Cl)nn2)s1 ZINC000255917086 327029232 /nfs/dbraw/zinc/02/92/32/327029232.db2.gz KQPPRLBJHISQPN-UTCJRWHESA-N 0 0 294.767 2.571 20 10 CFCDRN Cc1c(/C=C/C(=O)N2C[C@@H](C)c3ccccc32)cnn1C ZINC000159451096 327195404 /nfs/dbraw/zinc/19/54/04/327195404.db2.gz KVVBEJUNRBDIAI-IDVQTMNDSA-N 0 0 281.359 2.892 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCOc2cccc(F)c21 ZINC000161588527 329949299 /nfs/dbraw/zinc/94/92/99/329949299.db2.gz QGQLOYFMMUNZEH-VOTSOKGWSA-N 0 0 284.290 2.660 20 10 CFCDRN C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(F)cc1[O-] ZINC000528002813 330300193 /nfs/dbraw/zinc/30/01/93/330300193.db2.gz MPCOKCGBBGUUKW-AOVQSLKQSA-N 0 0 267.344 2.994 20 10 CFCDRN CCC[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000463956458 331354498 /nfs/dbraw/zinc/35/44/98/331354498.db2.gz ZZETZLKTNVNITQ-TZMCWYRMSA-N 0 0 288.391 2.914 20 10 CFCDRN O=C(/C=C\c1cccnc1)N1CCc2cc(F)c(F)cc21 ZINC000490698642 332105740 /nfs/dbraw/zinc/10/57/40/332105740.db2.gz ADVDOHMEZUSAMY-ARJAWSKDSA-N 0 0 286.281 2.962 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2cc(F)c(F)cc21 ZINC000490698666 332105813 /nfs/dbraw/zinc/10/58/13/332105813.db2.gz ADVDOHMEZUSAMY-ONEGZZNKSA-N 0 0 286.281 2.962 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C\c1cnccn1)CC2 ZINC000491292170 332183022 /nfs/dbraw/zinc/18/30/22/332183022.db2.gz WACFZPPBWXWRIQ-SREVYHEPSA-N 0 0 279.343 2.642 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCCc2cccc(F)c21 ZINC000491364322 332197855 /nfs/dbraw/zinc/19/78/55/332197855.db2.gz DGDWKQSRRXMXJM-VOTSOKGWSA-N 0 0 283.306 2.608 20 10 CFCDRN Cc1cc(F)cc2c1N(C(=O)/C=C\c1cnccn1)CCC2 ZINC000491576966 332241075 /nfs/dbraw/zinc/24/10/75/332241075.db2.gz QZADURBEYCPCFA-PLNGDYQASA-N 0 0 297.333 2.917 20 10 CFCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1ccc2cc[nH]c2c1 ZINC000492015077 332379323 /nfs/dbraw/zinc/37/93/23/332379323.db2.gz CPBTVKBELKESLI-GORDUTHDSA-N 0 0 293.326 2.945 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc3c(c2)OCO3)cn1 ZINC000492347637 332393573 /nfs/dbraw/zinc/39/35/73/332393573.db2.gz KBSKHBBQCBVTSK-VMPITWQZSA-N 0 0 296.326 2.795 20 10 CFCDRN CCN(C(=O)/C=C/c1cncc(OC)c1)c1cccnc1 ZINC000492447870 332397866 /nfs/dbraw/zinc/39/78/66/332397866.db2.gz VZTJIAVRESAWHS-VOTSOKGWSA-N 0 0 283.331 2.552 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc(Cl)nn1 ZINC000492455923 332398268 /nfs/dbraw/zinc/39/82/68/332398268.db2.gz LBHPIQSCKBLJIF-ZZXKWVIFSA-N 0 0 288.738 2.510 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCOc2cccc(F)c21 ZINC000492461040 332398524 /nfs/dbraw/zinc/39/85/24/332398524.db2.gz OTDCFPFZXSXGKW-WAYWQWQTSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000492467401 332398891 /nfs/dbraw/zinc/39/88/91/332398891.db2.gz YLGIUOWOVWYWAU-SREVYHEPSA-N 0 0 297.314 2.974 20 10 CFCDRN Cc1ccncc1/C=C\C(=O)N1CCOCc2ccccc21 ZINC000492680225 332409353 /nfs/dbraw/zinc/40/93/53/332409353.db2.gz QCTHJZFFTKOVBN-SREVYHEPSA-N 0 0 294.354 2.967 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3ccc(F)cc32)c1 ZINC000132783828 334005507 /nfs/dbraw/zinc/00/55/07/334005507.db2.gz MQYJNDQKJRZZOK-GORDUTHDSA-N 0 0 298.317 2.968 20 10 CFCDRN CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC000093772824 519751700 /nfs/dbraw/zinc/75/17/00/519751700.db2.gz DEHHVDSSOFSBAP-ZDUSSCGKSA-N 0 0 278.396 2.525 20 10 CFCDRN Cc1ccc(-c2ccn(C)c(=O)c2)c2ncccc12 ZINC001240989311 782153071 /nfs/dbraw/zinc/15/30/71/782153071.db2.gz YUWHOBLCOKGXRG-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC000275822598 520483194 /nfs/dbraw/zinc/48/31/94/520483194.db2.gz FFSSFUJSXDFACK-GFCCVEGCSA-N 0 0 269.772 2.638 20 10 CFCDRN Cn1ccc(-c2cnc3c(F)cccc3c2)cc1=O ZINC001240991812 782157729 /nfs/dbraw/zinc/15/77/29/782157729.db2.gz YBSJOKSQPYASHL-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[O-] ZINC000162863191 518277151 /nfs/dbraw/zinc/27/71/51/518277151.db2.gz TUWBGIKKTOUZIP-KOLCDFICSA-N 0 0 297.782 2.763 20 10 CFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000218350156 518278027 /nfs/dbraw/zinc/27/80/27/518278027.db2.gz VFBAMTPUIHBTBJ-UWVGGRQHSA-N 0 0 297.782 2.857 20 10 CFCDRN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000156574485 518524067 /nfs/dbraw/zinc/52/40/67/518524067.db2.gz VHSAEGOIZQNOOQ-UHFFFAOYSA-N 0 0 299.370 2.734 20 10 CFCDRN CC(C)(C)CCS(=O)(=O)Nc1ccc(O)cc1 ZINC000232511747 518657146 /nfs/dbraw/zinc/65/71/46/518657146.db2.gz AVZWCCCACMXSJD-UHFFFAOYSA-N 0 0 257.355 2.570 20 10 CFCDRN CC(C)=CC(=O)NCc1cccc(Br)c1O ZINC000277451594 519397581 /nfs/dbraw/zinc/39/75/81/519397581.db2.gz GEKZOMLPAGXXRH-UHFFFAOYSA-N 0 0 284.153 2.737 20 10 CFCDRN CC(C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276561521 519412860 /nfs/dbraw/zinc/41/28/60/519412860.db2.gz JBQZFQXIPMMXQT-SNVBAGLBSA-N 0 0 281.327 2.745 20 10 CFCDRN CC(C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000236658523 519614667 /nfs/dbraw/zinc/61/46/67/519614667.db2.gz XJLNJEQCLHZSGN-UHFFFAOYSA-N 0 0 262.397 3.000 20 10 CFCDRN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000290189118 519627781 /nfs/dbraw/zinc/62/77/81/519627781.db2.gz OEEFKHZLHYTASG-VXGBXAGGSA-N 0 0 268.376 2.911 20 10 CFCDRN CC(C)CCN(C(=O)c1cccc(O)c1O)C1CC1 ZINC000126338357 519650160 /nfs/dbraw/zinc/65/01/60/519650160.db2.gz YCVUTXXVJLDRSV-UHFFFAOYSA-N 0 0 263.337 2.749 20 10 CFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(F)F ZINC000278434698 519654770 /nfs/dbraw/zinc/65/47/70/519654770.db2.gz KMMCWIWPUJVIDN-UHFFFAOYSA-N 0 0 270.323 2.755 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2ncnn2CCF)cc1 ZINC000281620328 519780375 /nfs/dbraw/zinc/78/03/75/519780375.db2.gz KDEUCHYLQMQWNB-UHFFFAOYSA-N 0 0 292.358 2.671 20 10 CFCDRN CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nc1 ZINC000264853653 519896106 /nfs/dbraw/zinc/89/61/06/519896106.db2.gz JEQKZHNEAGZCFR-UHFFFAOYSA-N 0 0 298.390 2.509 20 10 CFCDRN CC(F)(F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000293315314 520154317 /nfs/dbraw/zinc/15/43/17/520154317.db2.gz IKGUAAYZTXXSSU-GFCCVEGCSA-N 0 0 299.317 2.555 20 10 CFCDRN CCCOc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236801715 520355286 /nfs/dbraw/zinc/35/52/86/520355286.db2.gz SECGEQHBHJDYCA-UHFFFAOYSA-N 0 0 298.386 2.917 20 10 CFCDRN CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1 ZINC000178412902 520555643 /nfs/dbraw/zinc/55/56/43/520555643.db2.gz ADQNAWYODKMNOW-ZDUSSCGKSA-N 0 0 294.351 2.736 20 10 CFCDRN CCC[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000158962918 520624204 /nfs/dbraw/zinc/62/42/04/520624204.db2.gz CYDQBPCTMBABPS-SNVBAGLBSA-N 0 0 251.326 2.540 20 10 CFCDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000280090266 520858319 /nfs/dbraw/zinc/85/83/19/520858319.db2.gz MKIXNAKUXLRLEV-NEPJUHHUSA-N 0 0 268.376 2.912 20 10 CFCDRN CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000280090270 520858473 /nfs/dbraw/zinc/85/84/73/520858473.db2.gz MKIXNAKUXLRLEV-VXGBXAGGSA-N 0 0 268.376 2.912 20 10 CFCDRN CCN(CC)c1ccc(CN2CCn3cnnc3[C@@H]2C)cc1 ZINC000276805559 520896075 /nfs/dbraw/zinc/89/60/75/520896075.db2.gz NDPNCISHGKUJFD-AWEZNQCLSA-N 0 0 299.422 2.701 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)OC)cc1 ZINC000170962569 520896297 /nfs/dbraw/zinc/89/62/97/520896297.db2.gz KYHIFTLYTLLWAT-UHFFFAOYSA-N 0 0 278.396 2.574 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1 ZINC000282408477 520903675 /nfs/dbraw/zinc/90/36/75/520903675.db2.gz FWIWFUOJNYUJSM-UHFFFAOYSA-N 0 0 299.374 2.563 20 10 CFCDRN CCN(CC)c1ccc(CN[C@@H]2CCn3ccnc32)cc1 ZINC000295061694 520910247 /nfs/dbraw/zinc/91/02/47/520910247.db2.gz GPQNWHFPJUFSLD-MRXNPFEDSA-N 0 0 284.407 2.964 20 10 CFCDRN CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000060460237 521089603 /nfs/dbraw/zinc/08/96/03/521089603.db2.gz OQJAGHFCQSCOEV-INIZCTEOSA-N 0 0 290.407 2.670 20 10 CFCDRN CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203181 521182810 /nfs/dbraw/zinc/18/28/10/521182810.db2.gz IVNGETYJKDBBNS-LLVKDONJSA-N 0 0 298.333 2.783 20 10 CFCDRN CCC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000193132733 521208466 /nfs/dbraw/zinc/20/84/66/521208466.db2.gz OXCYOFKOBXMEMG-NSHDSACASA-N 0 0 263.337 2.750 20 10 CFCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000296504158 521209395 /nfs/dbraw/zinc/20/93/95/521209395.db2.gz LSDUZJDVOVKLBB-STQMWFEESA-N 0 0 277.364 2.930 20 10 CFCDRN CCC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000192224731 521283518 /nfs/dbraw/zinc/28/35/18/521283518.db2.gz UUAOESJOVISQCL-SOFGYWHQSA-N 0 0 263.337 2.663 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC1(F)F ZINC000294743911 521320839 /nfs/dbraw/zinc/32/08/39/521320839.db2.gz OOTNCDITVOVFBI-CYBMUJFWSA-N 0 0 282.334 2.756 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000087014020 521657492 /nfs/dbraw/zinc/65/74/92/521657492.db2.gz UNKIRYOJSWGDBE-SNVBAGLBSA-N 0 0 255.333 2.733 20 10 CFCDRN CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000277134528 521663404 /nfs/dbraw/zinc/66/34/04/521663404.db2.gz JJKSZHUXGCCQFL-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1cnccn1 ZINC000280058717 521688062 /nfs/dbraw/zinc/68/80/62/521688062.db2.gz WQHVTYDGUMXNAJ-UHFFFAOYSA-N 0 0 299.374 2.554 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCOC(C)C ZINC000066096423 521688156 /nfs/dbraw/zinc/68/81/56/521688156.db2.gz BATZUYRZPVCEIC-UHFFFAOYSA-N 0 0 279.380 2.946 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073110212 521689476 /nfs/dbraw/zinc/68/94/76/521689476.db2.gz XGDOYQYCYTVKQI-FMKPAKJESA-N 0 0 289.375 2.698 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278334945 521868116 /nfs/dbraw/zinc/86/81/16/521868116.db2.gz ZTQWVKYLHXEYFM-WDEREUQCSA-N 0 0 294.351 2.929 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278922711 521878886 /nfs/dbraw/zinc/87/88/86/521878886.db2.gz UZTYGXIQILRVEQ-MWLCHTKSSA-N 0 0 280.324 2.587 20 10 CFCDRN CCc1cncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000278884786 522057291 /nfs/dbraw/zinc/05/72/91/522057291.db2.gz CWUKLZMXESOORY-UHFFFAOYSA-N 0 0 297.402 2.982 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccc(O)c2)cc1 ZINC000063536461 522165953 /nfs/dbraw/zinc/16/59/53/522165953.db2.gz CPMPYDCNWJSDMI-UHFFFAOYSA-N 0 0 298.386 2.659 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC=CCC2)cc1F ZINC000077575337 522196465 /nfs/dbraw/zinc/19/64/65/522196465.db2.gz UFNJWZVNMFEFCI-CYBMUJFWSA-N 0 0 291.370 2.800 20 10 CFCDRN CN(C)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000299230068 522218601 /nfs/dbraw/zinc/21/86/01/522218601.db2.gz QJWFYOJMJUGSKA-UHFFFAOYSA-N 0 0 296.292 2.981 20 10 CFCDRN CN(C)c1ccc(OCCCNC(=O)C2CCCC2)cc1 ZINC000289412773 522239677 /nfs/dbraw/zinc/23/96/77/522239677.db2.gz PNMBBYFWDMWQAM-UHFFFAOYSA-N 0 0 290.407 2.828 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cncs1 ZINC000154914353 522255841 /nfs/dbraw/zinc/25/58/41/522255841.db2.gz DZDJEDRTVZMDER-UHFFFAOYSA-N 0 0 275.377 2.608 20 10 CFCDRN COC(=O)c1cnc(SC[C@H]2CC[C@H](C)O2)s1 ZINC000295343821 522342145 /nfs/dbraw/zinc/34/21/45/522342145.db2.gz QDOWDQVYJGNONV-JGVFFNPUSA-N 0 0 273.379 2.589 20 10 CFCDRN COC(C)(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278241362 522470955 /nfs/dbraw/zinc/47/09/55/522470955.db2.gz LBXHCHJGPJWHNZ-UHFFFAOYSA-N 0 0 290.407 2.500 20 10 CFCDRN CC[C@H](N[C@@H](C)c1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000275723354 522701739 /nfs/dbraw/zinc/70/17/39/522701739.db2.gz OBXNKBWTCNSYRW-WFASDCNBSA-N 0 0 287.411 2.683 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2ccc(F)cc2O)s1 ZINC000290312839 522748152 /nfs/dbraw/zinc/74/81/52/522748152.db2.gz ZYDKSHYIPHJULP-MRVPVSSYSA-N 0 0 281.356 2.796 20 10 CFCDRN CC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000290006275 522844389 /nfs/dbraw/zinc/84/43/89/522844389.db2.gz ZLYHSHVOGWBWFR-GFCCVEGCSA-N 0 0 295.383 2.975 20 10 CFCDRN COCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000292691868 522899567 /nfs/dbraw/zinc/89/95/67/522899567.db2.gz BNADGUIMJKBCDG-UHFFFAOYSA-N 0 0 299.798 2.578 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCOCC1 ZINC000293842664 522905733 /nfs/dbraw/zinc/90/57/33/522905733.db2.gz WYTISIPCRSOSEJ-GFCCVEGCSA-N 0 0 297.370 2.625 20 10 CFCDRN COC(=O)CCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289870737 522992042 /nfs/dbraw/zinc/99/20/42/522992042.db2.gz RHDYHDPZKLZUNM-UHFFFAOYSA-N 0 0 285.771 2.869 20 10 CFCDRN CC[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299318515 523016484 /nfs/dbraw/zinc/01/64/84/523016484.db2.gz DQVUBEMCUWGSCJ-MRXNPFEDSA-N 0 0 292.423 2.915 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCOc2ccccc21 ZINC000076964448 523385942 /nfs/dbraw/zinc/38/59/42/523385942.db2.gz SBEYNKQWASAPEX-HNNXBMFYSA-N 0 0 297.354 2.917 20 10 CFCDRN CN(Cc1ccccc1O)c1nnc(C(F)(F)F)s1 ZINC000276171059 523387541 /nfs/dbraw/zinc/38/75/41/523387541.db2.gz HHEXOLODGMURQA-UHFFFAOYSA-N 0 0 289.282 2.899 20 10 CFCDRN CN(Cc1nccn1CC(F)(F)F)Cc1ccccc1O ZINC000171937094 523596513 /nfs/dbraw/zinc/59/65/13/523596513.db2.gz BOPGSNAJTNRXQH-UHFFFAOYSA-N 0 0 299.296 2.783 20 10 CFCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000280044614 523612595 /nfs/dbraw/zinc/61/25/95/523612595.db2.gz VTTZJUXIRVSVNB-TZMCWYRMSA-N 0 0 277.364 2.604 20 10 CFCDRN CC[C@@](C)(OC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000360311211 523677659 /nfs/dbraw/zinc/67/76/59/523677659.db2.gz STHLGGQSFPHUSA-QGZVFWFLSA-N 0 0 288.391 2.918 20 10 CFCDRN CO[C@](C)(C[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000291350259 524027596 /nfs/dbraw/zinc/02/75/96/524027596.db2.gz XIFZBUQDFGILMF-MEBBXXQBSA-N 0 0 267.344 2.997 20 10 CFCDRN COc1ccc(C[NH2+]CCC(C)(C)C(=O)[O-])cc1C ZINC000258911781 524069792 /nfs/dbraw/zinc/06/97/92/524069792.db2.gz PHPFNZOZMLCJBK-UHFFFAOYSA-N 0 0 265.353 2.594 20 10 CFCDRN C[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173290540 524112320 /nfs/dbraw/zinc/11/23/20/524112320.db2.gz VYHAYZXJDQVMKK-AWEZNQCLSA-N 0 0 285.391 2.757 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1ccc(N)cc1 ZINC000195162434 524176510 /nfs/dbraw/zinc/17/65/10/524176510.db2.gz ZNUIMSRWRJAPKJ-CZUORRHYSA-N 0 0 290.407 2.523 20 10 CFCDRN C[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1 ZINC000049007678 524298893 /nfs/dbraw/zinc/29/88/93/524298893.db2.gz SWCQIEVNNDNLFS-IUODEOHRSA-N 0 0 260.381 2.848 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(F)cn2)c(OC)c1 ZINC000276152145 524352991 /nfs/dbraw/zinc/35/29/91/524352991.db2.gz CCAKPPQYTAKPPF-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN COc1ccc(N(CC2OCCO2)[C@@H](C)C2CC2)cc1 ZINC000182653023 524364392 /nfs/dbraw/zinc/36/43/92/524364392.db2.gz LIPLIYYLGAUPAZ-LBPRGKRZSA-N 0 0 277.364 2.673 20 10 CFCDRN COc1ccc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 ZINC000073787259 524367689 /nfs/dbraw/zinc/36/76/89/524367689.db2.gz BPIVNBJLMPOLBR-IRXDYDNUSA-N 0 0 291.391 2.860 20 10 CFCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H](C)C1 ZINC000193146558 524489368 /nfs/dbraw/zinc/48/93/68/524489368.db2.gz ZPAUAKHDBGQIRF-MNOVXSKESA-N 0 0 263.337 2.606 20 10 CFCDRN C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230669700 524523163 /nfs/dbraw/zinc/52/31/63/524523163.db2.gz QOQMAOFXNMDPKD-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN Cc1cc(C)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000301075674 524587546 /nfs/dbraw/zinc/58/75/46/524587546.db2.gz DCDZONVEKGCVAK-UHFFFAOYSA-N 0 0 274.343 2.911 20 10 CFCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C[C@H]1C ZINC000296530221 524636665 /nfs/dbraw/zinc/63/66/65/524636665.db2.gz NFSJICKVLADLJS-WZRBSPASSA-N 0 0 277.364 2.786 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000070110247 524691242 /nfs/dbraw/zinc/69/12/42/524691242.db2.gz KFURJGOYQUCBFE-JMSVASOKSA-N 0 0 260.381 2.752 20 10 CFCDRN C[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192724321 524775775 /nfs/dbraw/zinc/77/57/75/524775775.db2.gz DZCQCLSQEWQJMD-HTQZYQBOSA-N 0 0 278.179 2.978 20 10 CFCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])on1 ZINC000062748366 524778064 /nfs/dbraw/zinc/77/80/64/524778064.db2.gz SZOJETFVVOXNSC-SECBINFHSA-N 0 0 250.273 2.679 20 10 CFCDRN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276854684 524793803 /nfs/dbraw/zinc/79/38/03/524793803.db2.gz BQNXVJPVEQTNRE-NXEZZACHSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@H]([NH2+]CCCOCC1CC1)c1ccc(F)cc1[O-] ZINC000062745320 525341730 /nfs/dbraw/zinc/34/17/30/525341730.db2.gz KBDLYDXOTNZFNS-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000085963767 525413753 /nfs/dbraw/zinc/41/37/53/525413753.db2.gz OIFLUSBCTXJPHB-WDMOLILDSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000191181116 525463133 /nfs/dbraw/zinc/46/31/33/525463133.db2.gz DTLBTYQKLXAOPX-SNVBAGLBSA-N 0 0 278.302 2.959 20 10 CFCDRN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748403 525498882 /nfs/dbraw/zinc/49/88/82/525498882.db2.gz MHJBMRYLLQLMTF-NSHDSACASA-N 0 0 277.343 2.846 20 10 CFCDRN C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ncn(C)n1 ZINC000275810445 525528394 /nfs/dbraw/zinc/52/83/94/525528394.db2.gz ZLOJHAMKOCXWOS-IUCAKERBSA-N 0 0 280.759 2.586 20 10 CFCDRN Cc1cc2c(NCc3ccc(N(C)C)c(F)c3)nccn2n1 ZINC000274822319 525588573 /nfs/dbraw/zinc/58/85/73/525588573.db2.gz PVQMBSNCTLMWOM-UHFFFAOYSA-N 0 0 299.353 2.855 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1[O-] ZINC000248480622 525591524 /nfs/dbraw/zinc/59/15/24/525591524.db2.gz ATLVMPVEZNDCAB-ZEQHWRKHSA-N 0 0 279.355 2.995 20 10 CFCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(N)cc1)C2 ZINC000237901151 525593276 /nfs/dbraw/zinc/59/32/76/525593276.db2.gz XQSXMGRGTUGNLH-MRXNPFEDSA-N 0 0 282.343 2.828 20 10 CFCDRN Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccccc1O)CO2 ZINC000274702127 525599486 /nfs/dbraw/zinc/59/94/86/525599486.db2.gz YMKXKRDCEQQARL-HNNXBMFYSA-N 0 0 297.354 2.801 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1CCOC1 ZINC000252811181 525609528 /nfs/dbraw/zinc/60/95/28/525609528.db2.gz OECFDFXMDCVVAO-VWYCJHECSA-N 0 0 253.317 2.607 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159866 525610504 /nfs/dbraw/zinc/61/05/04/525610504.db2.gz OZHGYICLKQFRMA-LLVKDONJSA-N 0 0 293.432 2.886 20 10 CFCDRN Cc1c(C(=O)NCc2ccccc2O)oc2c1C(=O)CCC2 ZINC000299545593 525629436 /nfs/dbraw/zinc/62/94/36/525629436.db2.gz KBXPQZZPJAOQFL-UHFFFAOYSA-N 0 0 299.326 2.743 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276647267 525905567 /nfs/dbraw/zinc/90/55/67/525905567.db2.gz VZRIMCDWNQDUET-BDAKNGLRSA-N 0 0 299.367 2.641 20 10 CFCDRN COc1cccc(CNC(=O)/C=C/C(C)(C)C)c1O ZINC000155727685 525961451 /nfs/dbraw/zinc/96/14/51/525961451.db2.gz FUKZRZRLKDGSCU-CMDGGOBGSA-N 0 0 263.337 2.619 20 10 CFCDRN COc1cccc(CNc2cc(C)nc(C3CC3)n2)c1O ZINC000265320313 526041127 /nfs/dbraw/zinc/04/11/27/526041127.db2.gz DRRPMHODFPXLSO-UHFFFAOYSA-N 0 0 285.347 2.989 20 10 CFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1C ZINC000053176522 526061246 /nfs/dbraw/zinc/06/12/46/526061246.db2.gz DGRYWAOQMAYDBI-UHFFFAOYSA-N 0 0 285.391 2.672 20 10 CFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(F)F ZINC000292869791 526079649 /nfs/dbraw/zinc/07/96/49/526079649.db2.gz BHOIYKXKJPVGQZ-SECBINFHSA-N 0 0 288.313 2.799 20 10 CFCDRN C[C@H]1CCCCN1C(=O)COc1ccc(N(C)C)cc1 ZINC000289411573 526242727 /nfs/dbraw/zinc/24/27/27/526242727.db2.gz PLGOPRMZPATKEQ-ZDUSSCGKSA-N 0 0 276.380 2.532 20 10 CFCDRN O[C@H](COc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000158482664 526289724 /nfs/dbraw/zinc/28/97/24/526289724.db2.gz HKOFHLYLGHWOCE-GFCCVEGCSA-N 0 0 275.270 2.589 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000360811553 526326471 /nfs/dbraw/zinc/32/64/71/526326471.db2.gz SASUIYOAKAVAJQ-UHFFFAOYSA-N 0 0 292.770 2.543 20 10 CFCDRN Cc1nnc(CC[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000291660516 526330070 /nfs/dbraw/zinc/33/00/70/526330070.db2.gz VJEOKRPGSILDII-UHFFFAOYSA-N 0 0 283.784 2.538 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000191137614 526346118 /nfs/dbraw/zinc/34/61/18/526346118.db2.gz WQGYYDNLFIKCGM-SECBINFHSA-N 0 0 295.745 2.555 20 10 CFCDRN Cc1nnnn1-c1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000192823500 526434681 /nfs/dbraw/zinc/43/46/81/526434681.db2.gz IJSDUKHBOZAZQL-NSHDSACASA-N 0 0 295.346 2.849 20 10 CFCDRN O=C(c1cccc(O)c1O)N(CC1CC1)CC1CCC1 ZINC000280217554 526769851 /nfs/dbraw/zinc/76/98/51/526769851.db2.gz YCJQSDXAGCVKPQ-UHFFFAOYSA-N 0 0 275.348 2.750 20 10 CFCDRN Cc1nc(C2(NCc3ccccc3O)CCCC2)no1 ZINC000237709861 526770218 /nfs/dbraw/zinc/77/02/18/526770218.db2.gz JZGWJZUNWFDHLP-UHFFFAOYSA-N 0 0 273.336 2.643 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000237895511 527475795 /nfs/dbraw/zinc/47/57/95/527475795.db2.gz WAZBXHQAIHTZGQ-QGZVFWFLSA-N 0 0 295.386 2.524 20 10 CFCDRN Nc1ccc(CC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000363752758 527477297 /nfs/dbraw/zinc/47/72/97/527477297.db2.gz RVBVCKXSTUDMJF-HNNXBMFYSA-N 0 0 298.361 2.967 20 10 CFCDRN Nc1ccc(CCNC(=O)C2(c3ccccc3)CC2)cc1 ZINC000061617581 527479620 /nfs/dbraw/zinc/47/96/20/527479620.db2.gz NZVMUEUJRAWPME-UHFFFAOYSA-N 0 0 280.371 2.659 20 10 CFCDRN Nc1ccc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000296878779 527482577 /nfs/dbraw/zinc/48/25/77/527482577.db2.gz FJNVWRAUXXGKOS-KRWDZBQOSA-N 0 0 296.370 2.589 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCCCC1 ZINC000168897427 527613344 /nfs/dbraw/zinc/61/33/44/527613344.db2.gz BGHITLVWBRLDRS-VQHVLOKHSA-N 0 0 261.321 2.560 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCCCC1 ZINC000272551644 527614559 /nfs/dbraw/zinc/61/45/59/527614559.db2.gz YZNSCBMVMCGFRV-VQHVLOKHSA-N 0 0 275.348 2.808 20 10 CFCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccncc1 ZINC000493457090 535657317 /nfs/dbraw/zinc/65/73/17/535657317.db2.gz SZGBNDKRTOIKCX-PLNGDYQASA-N 0 0 267.332 2.851 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ncc(C)o1 ZINC000744384235 574072015 /nfs/dbraw/zinc/07/20/15/574072015.db2.gz KAQCNJKMMCOHON-UHFFFAOYSA-N 0 0 258.321 2.944 20 10 CFCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000731040986 574107329 /nfs/dbraw/zinc/10/73/29/574107329.db2.gz ITJLYOSRJCBIJH-JTQLQIEISA-N 0 0 273.292 2.546 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1[O-] ZINC000756570730 574123177 /nfs/dbraw/zinc/12/31/77/574123177.db2.gz BGQUVXULOJAIKB-HJIKLVIJSA-N 0 0 271.307 2.625 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2csc(C=O)c2)cc1 ZINC000754957974 574129568 /nfs/dbraw/zinc/12/95/68/574129568.db2.gz KDNJPVKLPPWFNT-UHFFFAOYSA-N 0 0 288.372 2.557 20 10 CFCDRN COc1ccc(C)cc1CCNC(=O)C1=CC(=O)CS1 ZINC000731864768 574131198 /nfs/dbraw/zinc/13/11/98/574131198.db2.gz DBOILANBDYDDFX-UHFFFAOYSA-N 0 0 291.372 2.743 20 10 CFCDRN CC(C)Oc1ccc(CNC(=O)C2=CC(=O)CS2)cn1 ZINC000731872260 574131953 /nfs/dbraw/zinc/13/19/53/574131953.db2.gz ZIWPMOIDUMLPBA-UHFFFAOYSA-N 0 0 292.360 2.566 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCc2sccc2C1 ZINC000731866922 574132063 /nfs/dbraw/zinc/13/20/63/574132063.db2.gz KZCGOPPBZRMWAZ-UHFFFAOYSA-N 0 0 265.359 2.714 20 10 CFCDRN O=C(Nc1ccc(N2CCCC2)nc1)C1=CC(=O)CS1 ZINC000731867530 574132429 /nfs/dbraw/zinc/13/24/29/574132429.db2.gz WMBPXVBLFFVOCK-UHFFFAOYSA-N 0 0 289.360 2.701 20 10 CFCDRN COCc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000731868809 574132828 /nfs/dbraw/zinc/13/28/28/574132828.db2.gz XHRWSECGAZPDML-UHFFFAOYSA-N 0 0 277.345 2.530 20 10 CFCDRN CCc1noc(C)c1NC(=O)NCc1ccccc1O ZINC000755037155 574133691 /nfs/dbraw/zinc/13/36/91/574133691.db2.gz FIOZHTSKYWNNBD-UHFFFAOYSA-N 0 0 275.308 2.573 20 10 CFCDRN O=C(OCc1ccccc1[N+](=O)[O-])C1=CC(=O)CS1 ZINC000731912666 574133868 /nfs/dbraw/zinc/13/38/68/574133868.db2.gz XMEXZADIVPLPOZ-UHFFFAOYSA-N 0 0 279.273 2.719 20 10 CFCDRN CCOc1ccc(N(CC)CC(=O)NC2CCCC2)cc1 ZINC000746159547 574137781 /nfs/dbraw/zinc/13/77/81/574137781.db2.gz WUZLHLJXQBWJMX-UHFFFAOYSA-N 0 0 290.407 2.970 20 10 CFCDRN CN(C)c1ccc(C[N@H+](CCCC(=O)[O-])C2CC2)cc1 ZINC000737379745 574138026 /nfs/dbraw/zinc/13/80/26/574138026.db2.gz YPURGCBUWIFQJR-UHFFFAOYSA-N 0 0 276.380 2.582 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CSC(C)C)c1 ZINC000728978273 574143341 /nfs/dbraw/zinc/14/33/41/574143341.db2.gz NORNKYHXOMDUME-JTQLQIEISA-N 0 0 283.393 2.720 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C)s2)c1 ZINC000728981834 574143514 /nfs/dbraw/zinc/14/35/14/574143514.db2.gz FOTQNXWVJFNPRA-QMMMGPOBSA-N 0 0 292.360 2.657 20 10 CFCDRN COC[C@@H](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000755163086 574143642 /nfs/dbraw/zinc/14/36/42/574143642.db2.gz ORWDOAKWASFEIE-AWEZNQCLSA-N 0 0 290.407 2.576 20 10 CFCDRN O=C(NCCc1cccc2cccnc21)C1=CC(=O)CS1 ZINC000732263649 574148257 /nfs/dbraw/zinc/14/82/57/574148257.db2.gz IOHIXMHRWUXSBD-UHFFFAOYSA-N 0 0 298.367 2.974 20 10 CFCDRN O=C(Nc1n[nH]c2ccccc21)C1=CC(=O)CS1 ZINC000732268880 574148669 /nfs/dbraw/zinc/14/86/69/574148669.db2.gz QPDBCBKEKNTOGA-UHFFFAOYSA-N 0 0 259.290 2.582 20 10 CFCDRN CC(C)c1cc(NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000732278153 574149070 /nfs/dbraw/zinc/14/90/70/574149070.db2.gz UMEYBXPEDLNEIO-UHFFFAOYSA-N 0 0 251.311 2.553 20 10 CFCDRN O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000732277757 574149234 /nfs/dbraw/zinc/14/92/34/574149234.db2.gz OKDZJWCFMPVWDQ-VXGBXAGGSA-N 0 0 259.330 2.740 20 10 CFCDRN CCc1cnc(CN2CCOc3cc(N(C)C)ccc32)o1 ZINC000746492707 574151191 /nfs/dbraw/zinc/15/11/91/574151191.db2.gz JYYLJTGKEGNLSZ-UHFFFAOYSA-N 0 0 287.363 2.702 20 10 CFCDRN Cc1cccc(CN2CCOc3cc(N(C)C)ccc32)n1 ZINC000746496945 574151443 /nfs/dbraw/zinc/15/14/43/574151443.db2.gz KRBRJNRTTPVYLK-UHFFFAOYSA-N 0 0 283.375 2.855 20 10 CFCDRN COC1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000738235048 574160694 /nfs/dbraw/zinc/16/06/94/574160694.db2.gz YQWUHKWUTHDWHS-UHFFFAOYSA-N 0 0 263.381 2.829 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2ccc(C)o2)c1 ZINC000746689598 574163261 /nfs/dbraw/zinc/16/32/61/574163261.db2.gz MGQJOYNUYSMXKI-UHFFFAOYSA-N 0 0 289.331 2.551 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C ZINC000738464016 574170150 /nfs/dbraw/zinc/17/01/50/574170150.db2.gz VOJUHMDHWQTRSO-CQSZACIVSA-N 0 0 277.364 2.838 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC2(C)C)c1 ZINC000732827319 574174640 /nfs/dbraw/zinc/17/46/40/574174640.db2.gz GWPZUZQUJHAUPE-MNOVXSKESA-N 0 0 292.379 2.807 20 10 CFCDRN O=C(NC/C=C/c1ccccc1)NCc1ccccc1O ZINC000733039482 574184329 /nfs/dbraw/zinc/18/43/29/574184329.db2.gz VNJCEASTFUFYDX-RMKNXTFCSA-N 0 0 282.343 2.905 20 10 CFCDRN COc1ccc(F)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000755871309 574193129 /nfs/dbraw/zinc/19/31/29/574193129.db2.gz KNEXLZGBXFAYPV-UHFFFAOYSA-N 0 0 267.281 2.854 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(F)c(F)cc1F ZINC000747418089 574195047 /nfs/dbraw/zinc/19/50/47/574195047.db2.gz IHKFIHBALIXMIF-UHFFFAOYSA-N 0 0 281.233 2.740 20 10 CFCDRN CCN(CC(=O)N1CCC[C@H](C)C1)c1ccc(OC)cc1 ZINC000747682101 574206505 /nfs/dbraw/zinc/20/65/05/574206505.db2.gz IRLVWGVTXDICRA-AWEZNQCLSA-N 0 0 290.407 2.780 20 10 CFCDRN CCOc1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1 ZINC000739622693 574220931 /nfs/dbraw/zinc/22/09/31/574220931.db2.gz XGUFUGHFCZYCJM-WTKPLQERSA-N 0 0 283.331 2.552 20 10 CFCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729508279 574220959 /nfs/dbraw/zinc/22/09/59/574220959.db2.gz UZDYZFGOVAMRDG-RISCZKNCSA-N 0 0 293.386 2.880 20 10 CFCDRN Cc1noc([C@H](C)NCc2c(O)cccc2Cl)n1 ZINC000733328649 574221780 /nfs/dbraw/zinc/22/17/80/574221780.db2.gz YJMJEYBMSAKSKP-ZETCQYMHSA-N 0 0 267.716 2.588 20 10 CFCDRN C[C@H]([NH2+]Cc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000756345481 574227594 /nfs/dbraw/zinc/22/75/94/574227594.db2.gz XQJQVTLIYVQXCM-VIFPVBQESA-N 0 0 264.275 2.916 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)[O-])C2CC2)cc1 ZINC000756387921 574232577 /nfs/dbraw/zinc/23/25/77/574232577.db2.gz NDJBAOBBZZTUSR-MRXNPFEDSA-N 0 0 290.407 2.876 20 10 CFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000756387918 574232781 /nfs/dbraw/zinc/23/27/81/574232781.db2.gz NDJBAOBBZZTUSR-INIZCTEOSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@@]1(C(=O)[O-])CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756390235 574232788 /nfs/dbraw/zinc/23/27/88/574232788.db2.gz TYVWGCAKIMPLBZ-DOTOQJQBSA-N 0 0 289.375 2.745 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1 ZINC000756391115 574233125 /nfs/dbraw/zinc/23/31/25/574233125.db2.gz XYQRRIMJMRUVIR-DOTOQJQBSA-N 0 0 290.407 2.876 20 10 CFCDRN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756404255 574233971 /nfs/dbraw/zinc/23/39/71/574233971.db2.gz SIJITQLLEAVRLK-UWVGGRQHSA-N 0 0 281.306 2.606 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756431812 574236430 /nfs/dbraw/zinc/23/64/30/574236430.db2.gz FXHDXEXDLAROCT-OTYXRUKQSA-N 0 0 284.350 2.661 20 10 CFCDRN CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756433086 574236678 /nfs/dbraw/zinc/23/66/78/574236678.db2.gz UZYNERARLFOJHS-MNOVXSKESA-N 0 0 284.350 2.663 20 10 CFCDRN C[C@H]([NH2+]Cc1nccs1)c1cc(F)cc(F)c1[O-] ZINC000756444804 574237791 /nfs/dbraw/zinc/23/77/91/574237791.db2.gz WTWWBLRERMDBQK-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN C[C@H]([NH2+]CCCCn1ccnc1)c1cc(F)cc(F)c1[O-] ZINC000756455736 574238810 /nfs/dbraw/zinc/23/88/10/574238810.db2.gz AULSQVJPSGZPLN-NSHDSACASA-N 0 0 295.333 2.998 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1nccc(C)n1 ZINC000756488417 574240468 /nfs/dbraw/zinc/24/04/68/574240468.db2.gz RLSKCQPKNLWJKD-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756498644 574241759 /nfs/dbraw/zinc/24/17/59/574241759.db2.gz VUKYKIAAZOLULT-GXSJLCMTSA-N 0 0 273.323 2.728 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756551775 574246273 /nfs/dbraw/zinc/24/62/73/574246273.db2.gz XWSWLIQGFUKGLM-NXEZZACHSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000756550431 574246600 /nfs/dbraw/zinc/24/66/00/574246600.db2.gz HPVFGOSXDLBKEL-FZMZJTMJSA-N 0 0 278.371 2.666 20 10 CFCDRN CCOc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000748345847 574247755 /nfs/dbraw/zinc/24/77/55/574247755.db2.gz PPQGVIWZCQJBIR-UHFFFAOYSA-N 0 0 271.316 2.721 20 10 CFCDRN CC(C)Oc1ccc(C(=O)NCc2ccccc2O)cn1 ZINC000748345909 574247900 /nfs/dbraw/zinc/24/79/00/574247900.db2.gz RDOPHCQSCSQJCH-UHFFFAOYSA-N 0 0 286.331 2.504 20 10 CFCDRN O=C(NCc1ccccc1O)C1=NO[C@@H](c2ccccc2)C1 ZINC000748346332 574247906 /nfs/dbraw/zinc/24/79/06/574247906.db2.gz VKUOEPSVTCSKFJ-MRXNPFEDSA-N 0 0 296.326 2.526 20 10 CFCDRN O=C(CCc1nc2ccccc2[nH]1)NCc1ccccc1O ZINC000748353093 574248069 /nfs/dbraw/zinc/24/80/69/574248069.db2.gz LORAETUHIWVVMI-UHFFFAOYSA-N 0 0 295.342 2.518 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C[C@H](C)O ZINC000756605266 574251879 /nfs/dbraw/zinc/25/18/79/574251879.db2.gz RRRZQVOJPHDMCK-UTLUCORTSA-N 0 0 273.323 2.728 20 10 CFCDRN CN(C)c1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748437851 574252787 /nfs/dbraw/zinc/25/27/87/574252787.db2.gz AHPLFHNGCBTNDQ-UHFFFAOYSA-N 0 0 285.347 2.780 20 10 CFCDRN CN(C)c1ccccc1NC(=O)NCc1ccccc1O ZINC000748442367 574252914 /nfs/dbraw/zinc/25/29/14/574252914.db2.gz JPTFWLDFNYUPSK-UHFFFAOYSA-N 0 0 285.347 2.780 20 10 CFCDRN O=C(NCc1ccccc1O)N1CCc2ccccc2C1 ZINC000748463438 574253991 /nfs/dbraw/zinc/25/39/91/574253991.db2.gz QGXRHGOVERPXMJ-UHFFFAOYSA-N 0 0 282.343 2.660 20 10 CFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCc2ccccc21 ZINC000748462591 574254089 /nfs/dbraw/zinc/25/40/89/574254089.db2.gz FNEUULILTJQEJK-OAHLLOKOSA-N 0 0 282.343 2.879 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(O)c1O ZINC000756637931 574254688 /nfs/dbraw/zinc/25/46/88/574254688.db2.gz MJOSIVBUCINWJX-ADEWGFFLSA-N 0 0 277.364 2.961 20 10 CFCDRN COCc1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000756655474 574255865 /nfs/dbraw/zinc/25/58/65/574255865.db2.gz WHMKHXPKJTZZRF-UHFFFAOYSA-N 0 0 292.360 2.655 20 10 CFCDRN CN(CC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000756653633 574256011 /nfs/dbraw/zinc/25/60/11/574256011.db2.gz MLIKGOTVWANFRV-UHFFFAOYSA-N 0 0 299.326 2.595 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756673453 574256976 /nfs/dbraw/zinc/25/69/76/574256976.db2.gz ZFXPLCSOYLRZMF-ZJUUUORDSA-N 0 0 281.306 2.606 20 10 CFCDRN CCN(CCCN1CCCC1=O)c1ccc(OC)cc1 ZINC000746107753 574258573 /nfs/dbraw/zinc/25/85/73/574258573.db2.gz OFDBACQSQINGIE-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN C[C@@H]([NH2+]CC1(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756737673 574259936 /nfs/dbraw/zinc/25/99/36/574259936.db2.gz XJVWFOUONYRPCY-SECBINFHSA-N 0 0 250.298 2.751 20 10 CFCDRN Cc1occc1C(=O)NCCCSc1nccs1 ZINC000733881059 574260246 /nfs/dbraw/zinc/26/02/46/574260246.db2.gz ZRMOCXDOJXXNHN-UHFFFAOYSA-N 0 0 282.390 2.957 20 10 CFCDRN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[nH]n1 ZINC000756763966 574261237 /nfs/dbraw/zinc/26/12/37/574261237.db2.gz CDYBGQMBXPRFEE-SCZZXKLOSA-N 0 0 295.333 2.984 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000756780177 574262312 /nfs/dbraw/zinc/26/23/12/574262312.db2.gz WBPCSRXLMOXHPA-GFCCVEGCSA-N 0 0 285.391 2.855 20 10 CFCDRN C[C@@H]([NH2+]CCCCCCO)c1cc(F)cc(F)c1[O-] ZINC000756792000 574263425 /nfs/dbraw/zinc/26/34/25/574263425.db2.gz WDUHYEYMIXMGNK-SNVBAGLBSA-N 0 0 273.323 2.874 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOC(C)(C)C)c1 ZINC000756817769 574265290 /nfs/dbraw/zinc/26/52/90/574265290.db2.gz OAHBYOHZDRGALX-LLVKDONJSA-N 0 0 295.379 2.645 20 10 CFCDRN Cc1c[nH]cc1C(=O)NCCCSc1nccs1 ZINC000733973844 574266440 /nfs/dbraw/zinc/26/64/40/574266440.db2.gz BXKOFIZSJPEFEW-UHFFFAOYSA-N 0 0 281.406 2.692 20 10 CFCDRN O=C(NC[C@H](O)c1ccccc1Cl)C1=CC(=O)CS1 ZINC000740929045 574274607 /nfs/dbraw/zinc/27/46/07/574274607.db2.gz OIMGCFQOOQSMHO-NSHDSACASA-N 0 0 297.763 2.571 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccc(Cl)nc2)SC1=S ZINC000749000687 574275886 /nfs/dbraw/zinc/27/58/86/574275886.db2.gz QQEIYURZKPEKFH-VMPITWQZSA-N 0 0 284.793 2.956 20 10 CFCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000734418137 574285825 /nfs/dbraw/zinc/28/58/25/574285825.db2.gz ISDAWPCSVLDFRV-CQSZACIVSA-N 0 0 297.402 2.958 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)C1 ZINC000734687139 574297552 /nfs/dbraw/zinc/29/75/52/574297552.db2.gz KCXIVDMCQBUNLW-LBPRGKRZSA-N 0 0 275.396 2.612 20 10 CFCDRN COc1ccc(N(C)Cc2nccs2)cc1OC ZINC000749514786 574299036 /nfs/dbraw/zinc/29/90/36/574299036.db2.gz LGGXPJNBPDQHHG-UHFFFAOYSA-N 0 0 264.350 2.797 20 10 CFCDRN COc1cccc(CNC(=O)[C@H](C)C2CCCC2)c1O ZINC000749531983 574299331 /nfs/dbraw/zinc/29/93/31/574299331.db2.gz YSVCBDHMCJPIKE-LLVKDONJSA-N 0 0 277.364 2.843 20 10 CFCDRN CC[C@H](C)NC(=S)NCc1ccc(N(C)C)c(F)c1 ZINC000749769426 574308889 /nfs/dbraw/zinc/30/88/89/574308889.db2.gz PXXDUNYGUVLOKX-JTQLQIEISA-N 0 0 283.416 2.654 20 10 CFCDRN Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000749797989 574309718 /nfs/dbraw/zinc/30/97/18/574309718.db2.gz CXRGUVSACIIUEC-HOTGVXAUSA-N 0 0 287.403 2.739 20 10 CFCDRN Cc1cccnc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000749999876 574320797 /nfs/dbraw/zinc/32/07/97/574320797.db2.gz NHOSBUNTMDXCBO-UHFFFAOYSA-N 0 0 283.375 2.694 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000735330310 574321092 /nfs/dbraw/zinc/32/10/92/574321092.db2.gz HVRTUVXSEMEZAV-SCZZXKLOSA-N 0 0 271.407 2.858 20 10 CFCDRN Cc1ccc(NC(=S)NCc2cccn2C)cc1F ZINC000743061621 574352921 /nfs/dbraw/zinc/35/29/21/574352921.db2.gz MRSSKJFRPKXUHC-UHFFFAOYSA-N 0 0 277.368 2.959 20 10 CFCDRN Cn1cccc1CNC(=S)Nc1ccc(F)cc1F ZINC000743061352 574352930 /nfs/dbraw/zinc/35/29/30/574352930.db2.gz JKKYCCUMIRNCOE-UHFFFAOYSA-N 0 0 281.331 2.790 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)no1 ZINC000750862111 574358109 /nfs/dbraw/zinc/35/81/09/574358109.db2.gz SBRWNYMUGCFICY-UHFFFAOYSA-N 0 0 274.320 2.741 20 10 CFCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccccc2O)o1 ZINC000743327401 574358252 /nfs/dbraw/zinc/35/82/52/574358252.db2.gz MTBKSYMRDYXQRJ-LLVKDONJSA-N 0 0 259.305 2.714 20 10 CFCDRN COc1ccc(C(=O)NCc2ccccc2O)c(C)c1 ZINC000743327445 574358397 /nfs/dbraw/zinc/35/83/97/574358397.db2.gz NYHWZVVHVJSJEC-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN CSCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301658 574373666 /nfs/dbraw/zinc/37/36/66/574373666.db2.gz FURCASOIVZWIAP-UHFFFAOYSA-N 0 0 298.371 2.698 20 10 CFCDRN C[C@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751301157 574373875 /nfs/dbraw/zinc/37/38/75/574373875.db2.gz AQTIATBYMHXNIA-RYUDHWBXSA-N 0 0 292.342 2.991 20 10 CFCDRN COC(=O)/C(=C\c1ccc2c(c1)CCN2C)c1ccncc1 ZINC000751526158 574378258 /nfs/dbraw/zinc/37/82/58/574378258.db2.gz ZPZGXFTYHVIULX-VBKFSLOCSA-N 0 0 294.354 2.788 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCCOC2)c(OC)c1 ZINC000752126021 574388374 /nfs/dbraw/zinc/38/83/74/574388374.db2.gz VEEYBNYPENTUCI-GFCCVEGCSA-N 0 0 265.353 2.567 20 10 CFCDRN CSc1ccc(NC(=O)NCc2ccccc2O)nc1 ZINC000752821887 574395692 /nfs/dbraw/zinc/39/56/92/574395692.db2.gz FLZVIQHBNUJBLY-UHFFFAOYSA-N 0 0 289.360 2.831 20 10 CFCDRN O=[N+]([O-])c1cc(CN2CC(F)C2)ccc1N1CCCCC1 ZINC000753574235 574404993 /nfs/dbraw/zinc/40/49/93/574404993.db2.gz BOVURVVEDIFEOH-UHFFFAOYSA-N 0 0 293.342 2.739 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1C(C)C ZINC000832899678 601371339 /nfs/dbraw/zinc/37/13/39/601371339.db2.gz QJBFPXBVSLAKKP-INIZCTEOSA-N 0 0 295.354 2.823 20 10 CFCDRN O=C(NC[C@@]12C[C@@H]1CCCC2)c1c(F)ccc(O)c1O ZINC000900207868 620650343 /nfs/dbraw/zinc/65/03/43/620650343.db2.gz WIDIIBYDEFVQAO-BJOHPYRUSA-N 0 0 279.311 2.547 20 10 CFCDRN C[N@H+](Cc1ccsc1C(=O)[O-])Cc1ccccc1O ZINC000830860741 601825571 /nfs/dbraw/zinc/82/55/71/601825571.db2.gz WCDIJKMVOULAQP-UHFFFAOYSA-N 0 0 277.345 2.784 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C(=O)[O-])C1)c1ccc(N(C)C)cc1 ZINC000826621055 604318245 /nfs/dbraw/zinc/31/82/45/604318245.db2.gz XVWLIWTUMROFMF-HIFRSBDPSA-N 0 0 291.395 2.546 20 10 CFCDRN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000833772410 604529820 /nfs/dbraw/zinc/52/98/20/604529820.db2.gz DBRPYXNFEZHDAN-MRXNPFEDSA-N 0 0 288.391 2.726 20 10 CFCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2occc2C(=O)[O-])c1 ZINC000833733744 605127953 /nfs/dbraw/zinc/12/79/53/605127953.db2.gz OKCFCZRURWXQEV-VIFPVBQESA-N 0 0 291.303 2.543 20 10 CFCDRN O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834222219 605556946 /nfs/dbraw/zinc/55/69/46/605556946.db2.gz XVOHOMXPGUVYEH-SNVBAGLBSA-N 0 0 298.770 2.525 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826272184 608868792 /nfs/dbraw/zinc/86/87/92/608868792.db2.gz XQSBMVGSIVTEKX-UHFFFAOYSA-N 0 0 295.346 2.801 20 10 CFCDRN O=C(CC(F)(F)F)NCc1cccc(Cl)c1O ZINC000890757448 617834934 /nfs/dbraw/zinc/83/49/34/617834934.db2.gz DQUZNFMPESUJGL-UHFFFAOYSA-N 0 0 267.634 2.614 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)C1=CCCC1 ZINC000890760080 617837294 /nfs/dbraw/zinc/83/72/94/617837294.db2.gz HDMKGRREZDEWBA-UHFFFAOYSA-N 0 0 251.713 2.772 20 10 CFCDRN CC1(C(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000890760164 617837353 /nfs/dbraw/zinc/83/73/53/617837353.db2.gz KIGARYLBHZFJMO-UHFFFAOYSA-N 0 0 253.729 2.852 20 10 CFCDRN CC(=O)CC1(C(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000890759939 617837949 /nfs/dbraw/zinc/83/79/49/617837949.db2.gz WOTRPGBHLYPPGC-UHFFFAOYSA-N 0 0 295.766 2.811 20 10 CFCDRN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000044692871 618028389 /nfs/dbraw/zinc/02/83/89/618028389.db2.gz IWJXGDZFYZDQQF-GFCCVEGCSA-N 0 0 259.353 2.900 20 10 CFCDRN C[C@H]1CC(C)(C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840531703 617666228 /nfs/dbraw/zinc/66/62/28/617666228.db2.gz PLXZDZOWVHZKIA-XOIDGJRKSA-N 0 0 275.348 2.758 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](O)CC ZINC000901053337 620747647 /nfs/dbraw/zinc/74/76/47/620747647.db2.gz NXNMVLSTXULHRF-JSGCOSHPSA-N 0 0 279.380 2.538 20 10 CFCDRN C[C@H]([NH2+]CCOC(C)(C)C)c1cc(F)ccc1O ZINC000308690305 617788018 /nfs/dbraw/zinc/78/80/18/617788018.db2.gz HKLNSMAUOBCJDP-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccnc(NC2CCC2)c1 ZINC000901125403 620753628 /nfs/dbraw/zinc/75/36/28/620753628.db2.gz WMDQKJLSIXBNJE-UHFFFAOYSA-N 0 0 297.358 2.682 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C)c1 ZINC000176152172 617811197 /nfs/dbraw/zinc/81/11/97/617811197.db2.gz QHPUDPBBBMADIG-SNVBAGLBSA-N 0 0 274.320 2.528 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000806169979 617815929 /nfs/dbraw/zinc/81/59/29/617815929.db2.gz UDICXLILNPHUPB-VHSXEESVSA-N 0 0 273.323 2.586 20 10 CFCDRN CC(C)SCC(=O)NCc1cccc(Cl)c1O ZINC000890757369 617834669 /nfs/dbraw/zinc/83/46/69/617834669.db2.gz CBVUNXVRERKKKB-UHFFFAOYSA-N 0 0 273.785 2.803 20 10 CFCDRN CCn1nc(C)cc1C(=O)NCc1cccc(Cl)c1O ZINC000890758305 617835389 /nfs/dbraw/zinc/83/53/89/617835389.db2.gz VCKLAOSCULRZTI-UHFFFAOYSA-N 0 0 293.754 2.500 20 10 CFCDRN CC(C)(C)OCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000308756144 617837346 /nfs/dbraw/zinc/83/73/46/617837346.db2.gz WLFNETMMRBPEJX-UHFFFAOYSA-N 0 0 257.761 2.950 20 10 CFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000890767067 617856638 /nfs/dbraw/zinc/85/66/38/617856638.db2.gz LLLNIFOXGJODQH-SXLAOSRYSA-N 0 0 273.332 2.582 20 10 CFCDRN COc1cccc(CNC(=O)CCCC2CC2)c1O ZINC000812495230 617868039 /nfs/dbraw/zinc/86/80/39/617868039.db2.gz FSCNGOYKGXRLSR-UHFFFAOYSA-N 0 0 263.337 2.597 20 10 CFCDRN C[C@H](O)c1cc(NC(=O)c2cccc(O)c2O)ccc1F ZINC000804803379 617889617 /nfs/dbraw/zinc/88/96/17/617889617.db2.gz LXEIQCNNSBRPGV-QMMMGPOBSA-N 0 0 291.278 2.543 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC000892038670 617922810 /nfs/dbraw/zinc/92/28/10/617922810.db2.gz GRXVDGJZMVCXJY-AWEZNQCLSA-N 0 0 287.407 2.857 20 10 CFCDRN CCCc1nc(CN(C)c2ccc(OC)cc2)no1 ZINC000844353454 617924559 /nfs/dbraw/zinc/92/45/59/617924559.db2.gz OHLXQJAVVPCXBY-UHFFFAOYSA-N 0 0 261.325 2.667 20 10 CFCDRN O=C(N[C@H](c1ccncc1)C1CC1)C1=CC(=O)CS1 ZINC000890908197 617943221 /nfs/dbraw/zinc/94/32/21/617943221.db2.gz NVQKSTVTLVBTAC-ZDUSSCGKSA-N 0 0 274.345 2.730 20 10 CFCDRN CC1(NC(=S)NCc2cc(Cl)ccc2O)CC1 ZINC000844583539 617969104 /nfs/dbraw/zinc/96/91/04/617969104.db2.gz CCKFJLPZQNOZDB-UHFFFAOYSA-N 0 0 270.785 2.562 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C2CC2)c1 ZINC000175831760 617987154 /nfs/dbraw/zinc/98/71/54/617987154.db2.gz FLGXSLUXTHQEQE-VHSXEESVSA-N 0 0 263.337 2.624 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(O)c1O ZINC000177660159 618005310 /nfs/dbraw/zinc/00/53/10/618005310.db2.gz ZKYVPZITKPDWFM-JOYOIKCWSA-N 0 0 263.337 2.715 20 10 CFCDRN Cn1cnc(/C=C\C(=O)N(CC2CC2)c2ccccc2)c1 ZINC000934352705 618011823 /nfs/dbraw/zinc/01/18/23/618011823.db2.gz QBLUNTAKDIGOGP-KTKRTIGZSA-N 0 0 281.359 2.877 20 10 CFCDRN Cc1ncc(/C=C\C(=O)N(C)Cc2ccccc2O)s1 ZINC000255515894 618065028 /nfs/dbraw/zinc/06/50/28/618065028.db2.gz NXORYOQTDRBKTF-FPLPWBNLSA-N 0 0 288.372 2.829 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCN(C)c3ccccc32)c1 ZINC000255550541 618104442 /nfs/dbraw/zinc/10/44/42/618104442.db2.gz LHKRLUUHNIUELE-FPLPWBNLSA-N 0 0 293.370 2.886 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840860235 618140816 /nfs/dbraw/zinc/14/08/16/618140816.db2.gz QUEMSZCLKJEYOH-UTLUCORTSA-N 0 0 282.365 2.845 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000934943527 618161451 /nfs/dbraw/zinc/16/14/51/618161451.db2.gz IJPRBDZHCDALJK-RWMBFGLXSA-N 0 0 275.348 2.540 20 10 CFCDRN CS/C=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557774 618167571 /nfs/dbraw/zinc/16/75/71/618167571.db2.gz SHRDNWDPIWKFOO-MMQHEFTJSA-N 0 0 292.448 2.985 20 10 CFCDRN Cn1cnnc1CSc1ncc(-c2ccccc2)n1C ZINC000160999799 618213584 /nfs/dbraw/zinc/21/35/84/618213584.db2.gz NXIPINIGZUSYKJ-UHFFFAOYSA-N 0 0 285.376 2.508 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1cccc(F)c1 ZINC000077258267 618214931 /nfs/dbraw/zinc/21/49/31/618214931.db2.gz HBECBBNLLNOEEI-UHFFFAOYSA-N 0 0 273.307 2.732 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SCCCCC(N)=O ZINC000065724538 618232873 /nfs/dbraw/zinc/23/28/73/618232873.db2.gz IIZOMBVAGCVPGA-UHFFFAOYSA-N 0 0 289.404 2.835 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000924029591 618252579 /nfs/dbraw/zinc/25/25/79/618252579.db2.gz APRDEZYAOHMYJM-NXOKWIGFSA-N 0 0 287.359 2.519 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000924029594 618252691 /nfs/dbraw/zinc/25/26/91/618252691.db2.gz APRDEZYAOHMYJM-PZWWQEEKSA-N 0 0 287.359 2.519 20 10 CFCDRN Cc1noc([C@@H](C)NCc2ccc3c(c2)CCCO3)n1 ZINC000893973032 618257159 /nfs/dbraw/zinc/25/71/59/618257159.db2.gz NAUQWMGVEAUSRO-SNVBAGLBSA-N 0 0 273.336 2.554 20 10 CFCDRN CC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000179384124 618268910 /nfs/dbraw/zinc/26/89/10/618268910.db2.gz RQWLNEJTSMTOSW-UHFFFAOYSA-N 0 0 285.299 2.861 20 10 CFCDRN [O-]c1c(F)cc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000894000738 618269222 /nfs/dbraw/zinc/26/92/22/618269222.db2.gz AHODOXLXFKIEKA-AWEZNQCLSA-N 0 0 296.361 2.731 20 10 CFCDRN O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc(O)c1O ZINC000187010801 618271801 /nfs/dbraw/zinc/27/18/01/618271801.db2.gz WUPSVMKKXANWMW-CYBMUJFWSA-N 0 0 287.290 2.654 20 10 CFCDRN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000187128516 618273274 /nfs/dbraw/zinc/27/32/74/618273274.db2.gz NERXSJSLHIPYPS-WDEREUQCSA-N 0 0 263.337 2.749 20 10 CFCDRN CC[C@@H](C)N(CC)C(=O)c1ccc(C)c(O)c1O ZINC000855146286 618309497 /nfs/dbraw/zinc/30/94/97/618309497.db2.gz UWALFZHQCZUQBN-SNVBAGLBSA-N 0 0 251.326 2.667 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)OC)cc1F ZINC000066841538 618310506 /nfs/dbraw/zinc/31/05/06/618310506.db2.gz BLDNGEGSLCYYDE-GFCCVEGCSA-N 0 0 296.386 2.713 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000894088988 618317097 /nfs/dbraw/zinc/31/70/97/618317097.db2.gz NPURFAAANYOGBR-HZMBPMFUSA-N 0 0 283.318 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CFCDRN Cc1ccc2c(c1)OCCN2C(=O)c1ccc(C)c(O)c1O ZINC000182504981 625319315 /nfs/dbraw/zinc/31/93/15/625319315.db2.gz XBQDJZMAVAHIJD-UHFFFAOYSA-N 0 0 299.326 2.754 20 10 CFCDRN Cc1cccc(C)c1C(=O)NCc1ccc(O)c(O)c1 ZINC000182522436 625321415 /nfs/dbraw/zinc/32/14/15/625321415.db2.gz UTGNUUQVINMLSN-UHFFFAOYSA-N 0 0 271.316 2.645 20 10 CFCDRN C[C@H]1CCC[C@@H](OCC(=O)NCCc2ccc(N)cc2)C1 ZINC000237526959 619205567 /nfs/dbraw/zinc/20/55/67/619205567.db2.gz GKKFASWOVCCYCZ-XJKSGUPXSA-N 0 0 290.407 2.523 20 10 CFCDRN CS[C@H](C)CNC(=O)NCc1cccc(Cl)c1O ZINC000893799758 619220812 /nfs/dbraw/zinc/22/08/12/619220812.db2.gz MOGBPEHVDMSWIO-MRVPVSSYSA-N 0 0 288.800 2.596 20 10 CFCDRN CC[C@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726563426 619252323 /nfs/dbraw/zinc/25/23/23/619252323.db2.gz LJVJPEGHYUEFTB-ZDUSSCGKSA-N 0 0 290.407 2.826 20 10 CFCDRN Cc1cccc(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000726752465 619260626 /nfs/dbraw/zinc/26/06/26/619260626.db2.gz MOZAKEDJVCNMSD-UHFFFAOYSA-N 0 0 282.387 2.920 20 10 CFCDRN 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259.309 2.502 20 10 CFCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000841298867 619539712 /nfs/dbraw/zinc/53/97/12/619539712.db2.gz DPJQTTSTOZURTP-ZIAGYGMSSA-N 0 0 291.395 2.936 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000895571914 619556781 /nfs/dbraw/zinc/55/67/81/619556781.db2.gz BWSBKALSOMWRMP-MRVPVSSYSA-N 0 0 261.699 2.976 20 10 CFCDRN COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccccc1O)C2 ZINC000895601219 619564220 /nfs/dbraw/zinc/56/42/20/619564220.db2.gz MCGXRZKEPHQNMV-UHFFFAOYSA-N 0 0 297.354 2.737 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000895755245 619600188 /nfs/dbraw/zinc/60/01/88/619600188.db2.gz FQYVJFIKXQASEZ-ZDUSSCGKSA-N 0 0 289.375 2.700 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000895755243 619600433 /nfs/dbraw/zinc/60/04/33/619600433.db2.gz FQYVJFIKXQASEZ-CYBMUJFWSA-N 0 0 289.375 2.700 20 10 CFCDRN CCCN(CCC)c1ccc(CN[C@H]2CCOC2=O)cc1 ZINC000895792707 619608073 /nfs/dbraw/zinc/60/80/73/619608073.db2.gz FXTYOQKHBUYNOL-INIZCTEOSA-N 0 0 290.407 2.718 20 10 CFCDRN Oc1cccc(F)c1CNc1cc(C2CC2)ncn1 ZINC000895832083 619619045 /nfs/dbraw/zinc/61/90/45/619619045.db2.gz ABTPTPKMDLWGLG-UHFFFAOYSA-N 0 0 259.284 2.811 20 10 CFCDRN COc1cc2c(cc1O)CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC000895888108 619628056 /nfs/dbraw/zinc/62/80/56/619628056.db2.gz IOOKWWSVSQDQRU-UHFFFAOYSA-N 0 0 299.370 2.973 20 10 CFCDRN O=C(NCCCSc1nccs1)C1(C2CC2)CC1 ZINC000896335820 619718560 /nfs/dbraw/zinc/71/85/60/619718560.db2.gz ZNDUQXKVQXFHDB-UHFFFAOYSA-N 0 0 282.434 2.932 20 10 CFCDRN CSC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896455441 619736674 /nfs/dbraw/zinc/73/66/74/619736674.db2.gz POTYBGWLRXHJBA-SSDOTTSWSA-N 0 0 297.401 2.794 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000896642896 619777958 /nfs/dbraw/zinc/77/79/58/619777958.db2.gz SDJLPAFSGXWMOE-ZDUSSCGKSA-N 0 0 286.350 2.964 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2c([O-])cccc2F)CCCS1 ZINC000896636892 619779808 /nfs/dbraw/zinc/77/98/08/619779808.db2.gz 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/nfs/dbraw/zinc/90/53/89/619905389.db2.gz QAPHOHMNLLRTQJ-CQSZACIVSA-N 0 0 299.370 2.930 20 10 CFCDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000896996770 619910272 /nfs/dbraw/zinc/91/02/72/619910272.db2.gz RISKYWGTYKKWRS-UHFFFAOYSA-N 0 0 277.345 2.937 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc(F)cc1[O-] ZINC000796962174 619958369 /nfs/dbraw/zinc/95/83/69/619958369.db2.gz PSLUYLQJPFEIJJ-MWLCHTKSSA-N 0 0 277.286 2.588 20 10 CFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000928705375 619995604 /nfs/dbraw/zinc/99/56/04/619995604.db2.gz IBSIWTVSXUVVEY-AXFHLTTASA-N 0 0 263.312 2.584 20 10 CFCDRN Cc1ccc([C@@H](C)C(=O)NCc2c(O)cccc2F)o1 ZINC000928706209 619996007 /nfs/dbraw/zinc/99/60/07/619996007.db2.gz STDKIPKGWAWIIO-SNVBAGLBSA-N 0 0 277.295 2.853 20 10 CFCDRN Cc1nc(C2CC2)oc1C(=O)NCc1c(O)cccc1F ZINC000928709007 619996580 /nfs/dbraw/zinc/99/65/80/619996580.db2.gz VKEUGLAIOWVJOK-UHFFFAOYSA-N 0 0 290.294 2.635 20 10 CFCDRN COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000079585308 620048671 /nfs/dbraw/zinc/04/86/71/620048671.db2.gz IWFAPNNPBXTYAH-SSDOTTSWSA-N 0 0 294.178 2.796 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(-n3nccn3)cc2)c1 ZINC000237363951 620212540 /nfs/dbraw/zinc/21/25/40/620212540.db2.gz FHUYDBDUOWMHRS-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC000148634897 620251541 /nfs/dbraw/zinc/25/15/41/620251541.db2.gz DDPZVMONAMXCMF-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN NC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000841028780 620255783 /nfs/dbraw/zinc/25/57/83/620255783.db2.gz RUEXYYGZZQVXFA-LLVKDONJSA-N 0 0 275.179 2.526 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897612619 620259381 /nfs/dbraw/zinc/25/93/81/620259381.db2.gz CEFUPBCVHMUJOL-YUMQZZPRSA-N 0 0 277.345 2.935 20 10 CFCDRN Oc1cc2c(cc1CNc1cnn(C3CCC3)c1)OCO2 ZINC000897875177 620295995 /nfs/dbraw/zinc/29/59/95/620295995.db2.gz CGLUVPGXXMAFAQ-UHFFFAOYSA-N 0 0 287.319 2.655 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897952675 620310113 /nfs/dbraw/zinc/31/01/13/620310113.db2.gz IRDIPKRWLRIVHZ-ZWKOPEQDSA-N 0 0 262.309 2.579 20 10 CFCDRN Oc1ccc(F)cc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898091911 620331888 /nfs/dbraw/zinc/33/18/88/620331888.db2.gz DPBXTTDUIDALQN-CYBMUJFWSA-N 0 0 291.326 2.691 20 10 CFCDRN Cc1ccc(O)c(CNc2ccnn2[C@H]2CCCOC2)c1 ZINC000898095370 620332712 /nfs/dbraw/zinc/33/27/12/620332712.db2.gz QWWYPKDDYUUBAP-AWEZNQCLSA-N 0 0 287.363 2.861 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000898215395 620346686 /nfs/dbraw/zinc/34/66/86/620346686.db2.gz MYJMQBXVVDDVHN-MPRPFWIISA-N 0 0 293.794 2.949 20 10 CFCDRN C[C@H](CCn1cccn1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219145 620347079 /nfs/dbraw/zinc/34/70/79/620347079.db2.gz VOEMSZMNEYLBIE-LLVKDONJSA-N 0 0 279.771 2.811 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898381586 620378171 /nfs/dbraw/zinc/37/81/71/620378171.db2.gz JCTJYRJWPJQEPF-PWSUYJOCSA-N 0 0 285.746 2.699 20 10 CFCDRN O=C(CC1CCC1)NCCCSc1nccs1 ZINC000080245211 620398027 /nfs/dbraw/zinc/39/80/27/620398027.db2.gz XNAAKBHFCKQGSG-UHFFFAOYSA-N 0 0 270.423 2.932 20 10 CFCDRN CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841057786 620423077 /nfs/dbraw/zinc/42/30/77/620423077.db2.gz JYWXNSQZXKJJHU-LBPRGKRZSA-N 0 0 291.395 2.538 20 10 CFCDRN C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(Cl)cc1[O-] ZINC000926999559 620437962 /nfs/dbraw/zinc/43/79/62/620437962.db2.gz KVOHZSCSGUALLR-SNVBAGLBSA-N 0 0 297.782 2.849 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898391908 620456668 /nfs/dbraw/zinc/45/66/68/620456668.db2.gz MOFUXUDORNKDDD-HOCLYGCPSA-N 0 0 289.762 2.794 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1cc(F)cc(F)c1 ZINC000042117655 620509379 /nfs/dbraw/zinc/50/93/79/620509379.db2.gz VHIVTJXSZKXHEL-UHFFFAOYSA-N 0 0 277.270 2.943 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC/C=C/Cl)c1 ZINC000899054435 620517724 /nfs/dbraw/zinc/51/77/24/620517724.db2.gz YVCSCEQDXMSXRK-SWTNXBIASA-N 0 0 284.743 2.514 20 10 CFCDRN Cc1cc(F)ncc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000899260436 620538407 /nfs/dbraw/zinc/53/84/07/620538407.db2.gz GZJUJHHVYAEANY-BJMVGYQFSA-N 0 0 294.376 2.893 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000324930734 625435339 /nfs/dbraw/zinc/43/53/39/625435339.db2.gz UVYMBWFTQADLGB-AWEZNQCLSA-N 0 0 259.353 2.969 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927203447 620575611 /nfs/dbraw/zinc/57/56/11/620575611.db2.gz CVKZVVDPPKHRFB-MLGOLLRUSA-N 0 0 292.379 2.712 20 10 CFCDRN COc1cc(O)ccc1NS(=O)(=O)CCC(C)(C)C ZINC000901704270 620889547 /nfs/dbraw/zinc/88/95/47/620889547.db2.gz OBETVZKTCSDSBS-UHFFFAOYSA-N 0 0 287.381 2.579 20 10 CFCDRN Cc1cnc(NCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000902210402 620999291 /nfs/dbraw/zinc/99/92/91/620999291.db2.gz ILLRZEYNLBYULX-UHFFFAOYSA-N 0 0 278.306 2.741 20 10 CFCDRN CC[C@H](Nc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000832658811 625464846 /nfs/dbraw/zinc/46/48/46/625464846.db2.gz CWQSLXIYTFDENG-KRWDZBQOSA-N 0 0 297.402 2.818 20 10 CFCDRN CCn1cnc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000902705175 621153108 /nfs/dbraw/zinc/15/31/08/621153108.db2.gz UMYKXRRQIQEVMW-UHFFFAOYSA-N 0 0 265.744 2.552 20 10 CFCDRN CC(C)n1nccc1NC(=O)NCc1c(O)cccc1F ZINC000902945121 621207168 /nfs/dbraw/zinc/20/71/68/621207168.db2.gz PYZTUHRZVUKCHO-UHFFFAOYSA-N 0 0 292.314 2.630 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1c([O-])cccc1F ZINC000903260398 621303052 /nfs/dbraw/zinc/30/30/52/621303052.db2.gz NPHQIOOIHQSAJD-BCQZVRRWSA-N 0 0 265.328 2.749 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc(Cl)c1[O-] ZINC000903317790 621330758 /nfs/dbraw/zinc/33/07/58/621330758.db2.gz NCLWQHZBQJIYJZ-GWCFXTLKSA-N 0 0 268.788 2.790 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(F)cc1[O-] ZINC000903391291 621350619 /nfs/dbraw/zinc/35/06/19/621350619.db2.gz XGPDAYDAMGEOMI-NHYWBVRUSA-N 0 0 295.354 2.520 20 10 CFCDRN Cc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183428627 625488387 /nfs/dbraw/zinc/48/83/87/625488387.db2.gz FKYIMLVKPBDDMJ-LBPRGKRZSA-N 0 0 285.343 2.767 20 10 CFCDRN Cc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183419113 625487277 /nfs/dbraw/zinc/48/72/77/625487277.db2.gz FIZVTNPQQSPNIG-GFCCVEGCSA-N 0 0 285.343 2.767 20 10 CFCDRN CCC1([NH3+])CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000903948960 621486438 /nfs/dbraw/zinc/48/64/38/621486438.db2.gz WONQJNUISPVROF-UHFFFAOYSA-N 0 0 286.778 2.888 20 10 CFCDRN COc1ccc(NCc2cc3c(cc2O)OCO3)cc1F ZINC000042879710 621548642 /nfs/dbraw/zinc/54/86/42/621548642.db2.gz OOYQJHBNQATGQJ-UHFFFAOYSA-N 0 0 291.278 2.881 20 10 CFCDRN OC1CCN(c2ccc(/C=C/c3cnccn3)cc2)CC1 ZINC000905073888 621697740 /nfs/dbraw/zinc/69/77/40/621697740.db2.gz UDPLIZZDUHXEDO-DAFODLJHSA-N 0 0 281.359 2.608 20 10 CFCDRN Oc1c(F)cc(F)cc1CNc1ccc(C2CC2)nn1 ZINC000905413226 621762352 /nfs/dbraw/zinc/76/23/52/621762352.db2.gz KWIZUMOWMAFFMM-UHFFFAOYSA-N 0 0 277.274 2.950 20 10 CFCDRN COc1cc(CN2CCn3cccc3C2)c(O)cc1C ZINC000905745382 621844702 /nfs/dbraw/zinc/84/47/02/621844702.db2.gz MYVPQFGYEIXZCS-UHFFFAOYSA-N 0 0 272.348 2.527 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCOC(C)C)c1 ZINC000183652137 625525450 /nfs/dbraw/zinc/52/54/50/625525450.db2.gz RAQOSVUMYQUNLA-LBPRGKRZSA-N 0 0 295.379 2.783 20 10 CFCDRN O=C(N[C@H]1CC2CCC1CC2)c1c(F)ccc(O)c1O ZINC000832838367 625532279 /nfs/dbraw/zinc/53/22/79/625532279.db2.gz UBJUDYPNJDSUPC-AMUVOQDHSA-N 0 0 279.311 2.545 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000906994397 622074172 /nfs/dbraw/zinc/07/41/72/622074172.db2.gz QDRKNNPUNLZSKL-BBRMVZONSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](C)c1cnccn1)c1ccc(N(C)C)cc1 ZINC000907491746 622131695 /nfs/dbraw/zinc/13/16/95/622131695.db2.gz GBMMJKYMKQLNDX-QWHCGFSZSA-N 0 0 298.390 2.524 20 10 CFCDRN CCC/C=C/[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000907492328 622131927 /nfs/dbraw/zinc/13/19/27/622131927.db2.gz IVMMEOHASPNPKK-CBDHMYSDSA-N 0 0 290.407 2.647 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000910950067 622488925 /nfs/dbraw/zinc/48/89/25/622488925.db2.gz BHOYMAKZMXSRSL-ZBFHGGJFSA-N 0 0 297.354 2.593 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)c1sccc1C1CC1 ZINC000910953792 622489271 /nfs/dbraw/zinc/48/92/71/622489271.db2.gz FCCXPKZWBTUTGZ-UHFFFAOYSA-N 0 0 289.356 2.967 20 10 CFCDRN CCc1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910957710 622489914 /nfs/dbraw/zinc/48/99/14/622489914.db2.gz MSPJODXPXPLJLC-UHFFFAOYSA-N 0 0 299.370 2.909 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCC2(CC2)C1 ZINC000910942466 622491262 /nfs/dbraw/zinc/49/12/62/622491262.db2.gz COLCWQVEDAOXJL-NSHDSACASA-N 0 0 275.348 2.684 20 10 CFCDRN CC(C)[C@@H]1C[C@@H](CNC(=O)C2=CC(=O)CS2)CCO1 ZINC000833879143 625581062 /nfs/dbraw/zinc/58/10/62/625581062.db2.gz NJAOTLYSXIZODB-JQWIXIFHSA-N 0 0 283.393 2.635 20 10 CFCDRN CCN(C(=O)c1ccnc2c1CCN2)c1ccc(C)cc1 ZINC000912255788 622665917 /nfs/dbraw/zinc/66/59/17/622665917.db2.gz NWOBZAILBUIVQB-UHFFFAOYSA-N 0 0 281.359 2.564 20 10 CFCDRN CCc1onc(C)c1C(=O)N(C)Cc1ccccc1O ZINC000184312873 625589139 /nfs/dbraw/zinc/58/91/39/625589139.db2.gz RFDUQQIKNFMHTO-UHFFFAOYSA-N 0 0 274.320 2.523 20 10 CFCDRN COc1ccc(N2CC[C@H](NC(=O)/C=C(\C)Cl)C2)cc1 ZINC000912292691 622676927 /nfs/dbraw/zinc/67/69/27/622676927.db2.gz ORPTVLGGYVPWME-ZKQHCESOSA-N 0 0 294.782 2.533 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)OC(C)(C)C)cc1 ZINC000150730275 622717407 /nfs/dbraw/zinc/71/74/07/622717407.db2.gz HWYPICRCNZNUIZ-UHFFFAOYSA-N 0 0 265.353 2.863 20 10 CFCDRN CCOc1ccc(N(C)CC(=O)NC2CCCC2)cc1 ZINC000150735131 622724266 /nfs/dbraw/zinc/72/42/66/622724266.db2.gz YEBOFKKIYRFZDL-UHFFFAOYSA-N 0 0 276.380 2.580 20 10 CFCDRN CCn1nc(C(=O)NCc2cc(C)ccc2O)cc1C1CC1 ZINC000913000158 622816609 /nfs/dbraw/zinc/81/66/09/622816609.db2.gz DJJKWGCCIITPSO-UHFFFAOYSA-N 0 0 299.374 2.724 20 10 CFCDRN C[C@@H](NCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000164085009 622935451 /nfs/dbraw/zinc/93/54/51/622935451.db2.gz QDRRNRDOTKMQBD-GFCCVEGCSA-N 0 0 278.396 2.745 20 10 CFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C(F)F ZINC000821674857 622961576 /nfs/dbraw/zinc/96/15/76/622961576.db2.gz XHBSGIAONIGZIH-UHFFFAOYSA-N 0 0 288.257 2.600 20 10 CFCDRN Nc1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 ZINC000223349673 622985028 /nfs/dbraw/zinc/98/50/28/622985028.db2.gz XQNKSABRNWIHSI-MRXNPFEDSA-N 0 0 280.371 2.690 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000166844243 623034075 /nfs/dbraw/zinc/03/40/75/623034075.db2.gz QKIVEIKKPMXAQF-MXWKQRLJSA-N 0 0 263.337 2.604 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NCCC(C)(C)F ZINC000822102903 623038177 /nfs/dbraw/zinc/03/81/77/623038177.db2.gz QFWIJPAIGHMZCE-UHFFFAOYSA-N 0 0 268.332 2.672 20 10 CFCDRN Cc1cccc(C)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157825459 623071632 /nfs/dbraw/zinc/07/16/32/623071632.db2.gz GLMDYJJEYMKNFX-UHFFFAOYSA-N 0 0 285.343 2.687 20 10 CFCDRN CNC(=O)c1ccc(C)c(NCc2cccc(C)c2O)c1 ZINC000158059147 623088011 /nfs/dbraw/zinc/08/80/11/623088011.db2.gz QLVWGNANCRFRDK-UHFFFAOYSA-N 0 0 284.359 2.981 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000822428890 623101233 /nfs/dbraw/zinc/10/12/33/623101233.db2.gz BOOUVJFNWSDJST-GFCCVEGCSA-N 0 0 286.335 2.912 20 10 CFCDRN CCOC(=O)CN(Cc1ccccc1O)CC1(C)CCC1 ZINC000822511544 623117779 /nfs/dbraw/zinc/11/77/79/623117779.db2.gz HXYSMHLULYBEKQ-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CCOC(=O)CN(Cc1ccccc1O)CC1(C)CC1 ZINC000822512124 623118113 /nfs/dbraw/zinc/11/81/13/623118113.db2.gz VUWYHLRBNHYGFP-UHFFFAOYSA-N 0 0 277.364 2.557 20 10 CFCDRN OCCOCc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000822521267 623120566 /nfs/dbraw/zinc/12/05/66/623120566.db2.gz ZTTNSDIQIGMKOA-UHFFFAOYSA-N 0 0 291.322 2.652 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000228513165 623147253 /nfs/dbraw/zinc/14/72/53/623147253.db2.gz KUSGYZXLNLGRCL-SCVCMEIPSA-N 0 0 263.337 2.652 20 10 CFCDRN C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000228736214 623159811 /nfs/dbraw/zinc/15/98/11/623159811.db2.gz XBGVYASTMOOMCS-GHMZBOCLSA-N 0 0 263.337 2.654 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC2(F)F)cc1 ZINC000822954011 623209285 /nfs/dbraw/zinc/20/92/85/623209285.db2.gz IQYVJYAFKLWDAH-JTQLQIEISA-N 0 0 296.277 2.767 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2coc(C)c2)c1 ZINC000188779004 623241875 /nfs/dbraw/zinc/24/18/75/623241875.db2.gz MDKKJVIBOXBCSW-JTQLQIEISA-N 0 0 275.304 2.793 20 10 CFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCCC2)c1 ZINC000172076581 623259605 /nfs/dbraw/zinc/25/96/05/623259605.db2.gz ORSQDCZTZDWAOX-NSHDSACASA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062745281 623293757 /nfs/dbraw/zinc/29/37/57/623293757.db2.gz PHNZRLQJSYFZHM-SNVBAGLBSA-N 0 0 276.311 2.786 20 10 CFCDRN CC[C@@H]1C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823351107 623295703 /nfs/dbraw/zinc/29/57/03/623295703.db2.gz FGXGGRGMCVGNJN-KOLCDFICSA-N 0 0 274.324 2.625 20 10 CFCDRN CC(C)[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000172681356 623299530 /nfs/dbraw/zinc/29/95/30/623299530.db2.gz YECWRQXZLBSXRS-CYBMUJFWSA-N 0 0 277.412 2.844 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cncc(C)c2)c1 ZINC000173131897 623335301 /nfs/dbraw/zinc/33/53/01/623335301.db2.gz SRBQWXPKFGAJJD-NSHDSACASA-N 0 0 286.331 2.595 20 10 CFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCC1 ZINC000173362961 623345809 /nfs/dbraw/zinc/34/58/09/623345809.db2.gz CZYZHMJELUIVPJ-UHFFFAOYSA-N 0 0 297.782 2.821 20 10 CFCDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1cccnc1 ZINC000174065629 623383514 /nfs/dbraw/zinc/38/35/14/623383514.db2.gz FGCSXEFMMNTYMR-LBPRGKRZSA-N 0 0 270.332 2.549 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCF ZINC000840483094 623403856 /nfs/dbraw/zinc/40/38/56/623403856.db2.gz HPESBTOFDVRZIQ-CYBMUJFWSA-N 0 0 295.402 2.603 20 10 CFCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)n1C ZINC000174522728 623426007 /nfs/dbraw/zinc/42/60/07/623426007.db2.gz RRJSXTZZHBTHAP-UHFFFAOYSA-N 0 0 298.386 2.848 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOC(C)C ZINC000840483853 623428167 /nfs/dbraw/zinc/42/81/67/623428167.db2.gz LOWROWPDQOPWAZ-CYBMUJFWSA-N 0 0 293.411 2.631 20 10 CFCDRN Cc1cc(CCC(=O)NCc2cc(Cl)ccc2O)no1 ZINC000823986659 623429635 /nfs/dbraw/zinc/42/96/35/623429635.db2.gz NFHPJHQFLRBDQG-UHFFFAOYSA-N 0 0 294.738 2.591 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NOCC1CCC1 ZINC000824055042 623441066 /nfs/dbraw/zinc/44/10/66/623441066.db2.gz IPQRVIKFJBNOAL-UHFFFAOYSA-N 0 0 291.395 2.592 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)CF ZINC000840484866 623453257 /nfs/dbraw/zinc/45/32/57/623453257.db2.gz QHEATTBPIYYJMT-OLZOCXBDSA-N 0 0 295.402 2.649 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3C[C@H]4C[C@H]4C3)ccc21 ZINC000824265929 623479966 /nfs/dbraw/zinc/47/99/66/623479966.db2.gz SWZHLOQLAHTPSH-MUJYYYPQSA-N 0 0 299.418 2.667 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccnn1CC1CC1 ZINC000824474814 623511300 /nfs/dbraw/zinc/51/13/00/623511300.db2.gz UBUQFZBWBQSLGN-UHFFFAOYSA-N 0 0 283.375 2.864 20 10 CFCDRN CCOc1ccc(N(C)CCCCCNC(C)=O)cc1 ZINC000929694461 623512327 /nfs/dbraw/zinc/51/23/27/623512327.db2.gz AZEVANVTLJBVPA-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN C[C@H](CCO)CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000824516027 623515411 /nfs/dbraw/zinc/51/54/11/623515411.db2.gz IXROKWBEPNPRAV-VIFPVBQESA-N 0 0 275.751 2.683 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H](C)OC[C@@H]2C)cc1Cl ZINC000824576076 623525725 /nfs/dbraw/zinc/52/57/25/623525725.db2.gz ZNJVFCLHWGTHRC-QWRGUYRKSA-N 0 0 269.772 2.963 20 10 CFCDRN CC[C@H]1COCCN1Cc1cc(Cl)c(C)cc1O ZINC000824597951 623530323 /nfs/dbraw/zinc/53/03/23/623530323.db2.gz XOHNKPZAFMCFJU-LBPRGKRZSA-N 0 0 269.772 2.965 20 10 CFCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)(C)CO ZINC000824637157 623537373 /nfs/dbraw/zinc/53/73/73/623537373.db2.gz WFKVTRWTYSMTIT-UHFFFAOYSA-N 0 0 275.751 2.635 20 10 CFCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000824637176 623537414 /nfs/dbraw/zinc/53/74/14/623537414.db2.gz WMYHPICHFNNORV-AAEUAGOBSA-N 0 0 269.772 2.638 20 10 CFCDRN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000824636843 623537482 /nfs/dbraw/zinc/53/74/82/623537482.db2.gz UIKVDNFHILVUBS-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000824637724 623538019 /nfs/dbraw/zinc/53/80/19/623538019.db2.gz ZJGWBRCJGLXEQF-JOYOIKCWSA-N 0 0 287.762 2.778 20 10 CFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824649065 623539080 /nfs/dbraw/zinc/53/90/80/623539080.db2.gz AXYSEOXUNJMFOD-NSHDSACASA-N 0 0 282.727 2.938 20 10 CFCDRN CN1CCCc2cc(CNC(=O)c3ncccc3F)ccc21 ZINC000824682955 623544877 /nfs/dbraw/zinc/54/48/77/623544877.db2.gz QFYAGRWEAMBECL-UHFFFAOYSA-N 0 0 299.349 2.533 20 10 CFCDRN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000824702310 623548280 /nfs/dbraw/zinc/54/82/80/623548280.db2.gz LNRYWKZBGLQSMA-MRVPVSSYSA-N 0 0 275.751 2.824 20 10 CFCDRN CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000824815571 623570982 /nfs/dbraw/zinc/57/09/82/623570982.db2.gz TYTXBSHQDFHTAH-ZWNOBZJWSA-N 0 0 269.772 2.902 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@@H](C)[C@H]2C)cc1Cl ZINC000824815105 623571378 /nfs/dbraw/zinc/57/13/78/623571378.db2.gz ZNRIVPWBUMWRIL-MNOVXSKESA-N 0 0 269.772 2.963 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2[C@@H]1C)c1ccccc1O ZINC000913764055 623581657 /nfs/dbraw/zinc/58/16/57/623581657.db2.gz ZMLORCKDXGDLQK-GRYCIOLGSA-N 0 0 299.374 2.659 20 10 CFCDRN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000825045549 623615696 /nfs/dbraw/zinc/61/56/96/623615696.db2.gz GRIJZUMGWWFOME-VIFPVBQESA-N 0 0 297.761 2.639 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000825392367 623684964 /nfs/dbraw/zinc/68/49/64/623684964.db2.gz NYAVDHVFKHXOHZ-BETUJISGSA-N 0 0 298.346 2.887 20 10 CFCDRN CCc1nnc([C@H](C)NCc2cc(Cl)c(C)cc2O)[nH]1 ZINC000825395635 623685572 /nfs/dbraw/zinc/68/55/72/623685572.db2.gz KUJBCFWQXBBJSG-VIFPVBQESA-N 0 0 294.786 2.885 20 10 CFCDRN CCOCCOC1CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000825440102 623694578 /nfs/dbraw/zinc/69/45/78/623694578.db2.gz BHHZJSUURFGXAF-UHFFFAOYSA-N 0 0 299.798 2.591 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CCCC(=O)C1CC1 ZINC000825481691 623700010 /nfs/dbraw/zinc/70/00/10/623700010.db2.gz QZGRGFAHVGHLJF-UHFFFAOYSA-N 0 0 275.348 2.500 20 10 CFCDRN COc1ccc(N(C)Cc2cnn3c2CCC3)cc1F ZINC000825468983 623700665 /nfs/dbraw/zinc/70/06/65/623700665.db2.gz RPGSERJZTNVULU-UHFFFAOYSA-N 0 0 275.327 2.613 20 10 CFCDRN COc1cccc([C@H](C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000152498740 623717016 /nfs/dbraw/zinc/71/70/16/623717016.db2.gz FIBNCLMZGFANNG-ZDUSSCGKSA-N 0 0 298.386 2.740 20 10 CFCDRN Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000152544528 623730576 /nfs/dbraw/zinc/73/05/76/623730576.db2.gz ABJYTEZFBORHNJ-UHFFFAOYSA-N 0 0 298.361 2.798 20 10 CFCDRN Cc1nc(C2CC2)ccc1C(=O)NCc1ccccc1O ZINC000825659327 623731751 /nfs/dbraw/zinc/73/17/51/623731751.db2.gz ZESIYVHVSHUONL-UHFFFAOYSA-N 0 0 282.343 2.903 20 10 CFCDRN Cc1cc(O)c(CN2C[C@@H](O)CC(F)(F)C2)cc1Cl ZINC000825658254 623731963 /nfs/dbraw/zinc/73/19/63/623731963.db2.gz NPIQGFBBAVYJDB-JTQLQIEISA-N 0 0 291.725 2.556 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCCC1CC1 ZINC000825676871 623737683 /nfs/dbraw/zinc/73/76/83/623737683.db2.gz VKIFVKKYMDWRNS-VQHVLOKHSA-N 0 0 275.348 2.808 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCCC2(F)F)c1 ZINC000825838462 623759716 /nfs/dbraw/zinc/75/97/16/623759716.db2.gz AOWNCXVKVHKTFQ-LBPRGKRZSA-N 0 0 299.317 2.843 20 10 CFCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(F)F ZINC000825842716 623760615 /nfs/dbraw/zinc/76/06/15/623760615.db2.gz SGCHBGKBMOQXCM-FNORWQNLSA-N 0 0 299.317 2.909 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185028352 625674792 /nfs/dbraw/zinc/67/47/92/625674792.db2.gz HMVYPEVNIDMQKV-OLZOCXBDSA-N 0 0 280.387 2.914 20 10 CFCDRN CC1(C)C[C@@]1(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000914380260 623780394 /nfs/dbraw/zinc/78/03/94/623780394.db2.gz BRPUFLCZBQSJNW-YERXGYGTSA-N 0 0 275.348 2.663 20 10 CFCDRN COc1ccc(N(C)Cc2cnn(CCF)c2)cc1F ZINC000929823973 623836553 /nfs/dbraw/zinc/83/65/53/623836553.db2.gz CBDGZCHTATZCRB-UHFFFAOYSA-N 0 0 281.306 2.637 20 10 CFCDRN CCC/C=C/C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761972324 623846101 /nfs/dbraw/zinc/84/61/01/623846101.db2.gz ISPOTDVFYFNMIW-XUIVZRPNSA-N 0 0 263.337 2.934 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1ccc(F)cc1[O-] ZINC000834886262 623903276 /nfs/dbraw/zinc/90/32/76/623903276.db2.gz AZIXBAPTCCOIOQ-ICCXJUOJSA-N 0 0 255.333 2.731 20 10 CFCDRN Cc1cc(Cl)cc(CN[C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889063 623903365 /nfs/dbraw/zinc/90/33/65/623903365.db2.gz QJVQFOXRQUMZHE-SKDRFNHKSA-N 0 0 292.770 2.741 20 10 CFCDRN Cc1cc(O)c(CN2CC[C@H](O)C(F)(F)C2)cc1Cl ZINC000826952799 623913675 /nfs/dbraw/zinc/91/36/75/623913675.db2.gz SZIZKVOWTAEHAI-LBPRGKRZSA-N 0 0 291.725 2.556 20 10 CFCDRN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000827018054 623925321 /nfs/dbraw/zinc/92/53/21/623925321.db2.gz RNELYYPQONGAJT-GASCZTMLSA-N 0 0 281.783 2.904 20 10 CFCDRN COCCN(C/C=C/c1ccc(N(C)C)cc1)CCF ZINC000827047043 623929533 /nfs/dbraw/zinc/92/95/33/623929533.db2.gz CVOTVCLDBNVDMA-SNAWJCMRSA-N 0 0 280.387 2.684 20 10 CFCDRN COCCN(CCF)Cc1cc(Cl)cc(C)c1O ZINC000827054583 623933046 /nfs/dbraw/zinc/93/30/46/623933046.db2.gz UHFZIQGREVSSSK-UHFFFAOYSA-N 0 0 275.751 2.772 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000827073605 623935908 /nfs/dbraw/zinc/93/59/08/623935908.db2.gz ZDUKRBAXBVWTKH-NSHDSACASA-N 0 0 295.688 2.699 20 10 CFCDRN Cn1c(Sc2nccs2)nnc1-c1ccco1 ZINC000914862855 623952326 /nfs/dbraw/zinc/95/23/26/623952326.db2.gz QDGSLNRYMBZWTK-UHFFFAOYSA-N 0 0 264.335 2.683 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151540 623953763 /nfs/dbraw/zinc/95/37/63/623953763.db2.gz DXYRBXCWAIYZMV-OAHLLOKOSA-N 0 0 299.773 2.922 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@]23CCO[C@H]2CCCC3)c1 ZINC000827166898 623957527 /nfs/dbraw/zinc/95/75/27/623957527.db2.gz LBEGLGKJFPBXDN-DOTOQJQBSA-N 0 0 289.375 2.666 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000827166092 623957575 /nfs/dbraw/zinc/95/75/75/623957575.db2.gz FLIVNPVRHQBFJT-CZUORRHYSA-N 0 0 291.391 2.768 20 10 CFCDRN O=C1/C(=C\c2ncc[nH]2)SC(=S)N1c1ccccc1 ZINC000731155586 623959902 /nfs/dbraw/zinc/95/99/02/623959902.db2.gz LQMRDFLLCZGTBB-CSKARUKUSA-N 0 0 287.369 2.816 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1Cl ZINC000827279996 623979766 /nfs/dbraw/zinc/97/97/66/623979766.db2.gz COJSOLATAGPMKK-WFASDCNBSA-N 0 0 281.783 2.822 20 10 CFCDRN COc1cccc(CNC(=O)[C@]2(C)CCC[C@@H]2C)c1O ZINC000827303607 623984429 /nfs/dbraw/zinc/98/44/29/623984429.db2.gz LKRWSQAQAHNNKS-MEDUHNTESA-N 0 0 277.364 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000827366655 623993729 /nfs/dbraw/zinc/99/37/29/623993729.db2.gz YLZXKXGEZDQJKW-STQMWFEESA-N 0 0 285.746 2.578 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000827366653 623994067 /nfs/dbraw/zinc/99/40/67/623994067.db2.gz YLZXKXGEZDQJKW-QWHCGFSZSA-N 0 0 285.746 2.578 20 10 CFCDRN Cc1cncc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000827376439 623995267 /nfs/dbraw/zinc/99/52/67/623995267.db2.gz DIAJMHXIJJVRPQ-UHFFFAOYSA-N 0 0 295.745 2.615 20 10 CFCDRN COc1cccc(CNc2nc(C3CCC3)no2)c1O ZINC000827546874 624028882 /nfs/dbraw/zinc/02/88/82/624028882.db2.gz AVBJAZFVIAIDFH-UHFFFAOYSA-N 0 0 275.308 2.663 20 10 CFCDRN CC1(C)CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000827678378 624062145 /nfs/dbraw/zinc/06/21/45/624062145.db2.gz CYNXSBZSBHBXFG-MRVPVSSYSA-N 0 0 267.300 2.545 20 10 CFCDRN Cc1cc(O)c(CN2CCc3nccnc3C2)cc1Cl ZINC000827687709 624064456 /nfs/dbraw/zinc/06/44/56/624064456.db2.gz UFYRVZFPUNRNQU-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN CC1CCC(O)(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000232836098 624067157 /nfs/dbraw/zinc/06/71/57/624067157.db2.gz GPDRBAJUEAPBCE-UHFFFAOYSA-N 0 0 267.344 2.562 20 10 CFCDRN Cc1nnc(CN(C)Cc2cc(Cl)ccc2O)s1 ZINC000827799121 624095762 /nfs/dbraw/zinc/09/57/62/624095762.db2.gz KWEQGKBQEYXQMG-UHFFFAOYSA-N 0 0 283.784 2.838 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H](C)CO2)cc1 ZINC000888282526 624125902 /nfs/dbraw/zinc/12/59/02/624125902.db2.gz BEZCBZXDRVXRET-CJNGLKHVSA-N 0 0 290.407 2.574 20 10 CFCDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2O)n(C)n1 ZINC000827937376 624132630 /nfs/dbraw/zinc/13/26/30/624132630.db2.gz UHODFRMSTFGKSX-LLVKDONJSA-N 0 0 287.363 2.740 20 10 CFCDRN C[C@@H](NC(=O)[C@H](C)c1ccco1)c1ccccc1O ZINC000827937367 624132679 /nfs/dbraw/zinc/13/26/79/624132679.db2.gz UEUAHRRAPWMDLV-GHMZBOCLSA-N 0 0 259.305 2.966 20 10 CFCDRN Cc1cnccc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827941768 624133442 /nfs/dbraw/zinc/13/34/42/624133442.db2.gz XROUAJFHZMWFJC-GFCCVEGCSA-N 0 0 270.332 2.516 20 10 CFCDRN CC(=O)OCC(C)(C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827940952 624133484 /nfs/dbraw/zinc/13/34/84/624133484.db2.gz LLNQYOWETAUXIY-LLVKDONJSA-N 0 0 293.363 2.549 20 10 CFCDRN C[C@@H](NC(=O)[C@H](O)CCc1ccccc1)c1ccccc1O ZINC000827941791 624133569 /nfs/dbraw/zinc/13/35/69/624133569.db2.gz YHRDBPDAQRSDIF-CXAGYDPISA-N 0 0 299.370 2.563 20 10 CFCDRN CC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccccc1O ZINC000827940970 624133657 /nfs/dbraw/zinc/13/36/57/624133657.db2.gz MAJJMQYVGMVOPC-GFCCVEGCSA-N 0 0 277.364 2.965 20 10 CFCDRN Cc1nsc(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827946370 624134955 /nfs/dbraw/zinc/13/49/55/624134955.db2.gz GBSYVBOJAHSHNO-MRVPVSSYSA-N 0 0 276.361 2.957 20 10 CFCDRN Cc1cc(C)nc(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC000827946530 624134995 /nfs/dbraw/zinc/13/49/95/624134995.db2.gz KZGOLSQRNROTOQ-GFCCVEGCSA-N 0 0 270.332 2.895 20 10 CFCDRN CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827952308 624136735 /nfs/dbraw/zinc/13/67/35/624136735.db2.gz NFCMWFFMRIGYEO-JHJVBQTASA-N 0 0 277.364 2.775 20 10 CFCDRN CO[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952497 624136787 /nfs/dbraw/zinc/13/67/87/624136787.db2.gz VQDIEXJGENDWJJ-CXAGYDPISA-N 0 0 299.370 2.827 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@]1(C)Br)c1ccccc1O ZINC000827956468 624138144 /nfs/dbraw/zinc/13/81/44/624138144.db2.gz MHASHBNANBBIQR-PLMOITTCSA-N 0 0 298.180 2.743 20 10 CFCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000827960908 624140145 /nfs/dbraw/zinc/14/01/45/624140145.db2.gz YPLIEXXGQSHORT-SLEUVZQESA-N 0 0 277.364 2.775 20 10 CFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827963921 624140728 /nfs/dbraw/zinc/14/07/28/624140728.db2.gz DTDPUOOBNMXUDX-CORIIIEPSA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@H](NC(=O)COCC1CCCC1)c1ccccc1O ZINC000827960647 624140753 /nfs/dbraw/zinc/14/07/53/624140753.db2.gz TYJJZYBUQHRXHW-LBPRGKRZSA-N 0 0 277.364 2.776 20 10 CFCDRN C[C@H](NC(=O)C1(F)CCCC1)c1ccccc1O ZINC000827968836 624141461 /nfs/dbraw/zinc/14/14/61/624141461.db2.gz AJGWXFHVTPHRLB-JTQLQIEISA-N 0 0 251.301 2.852 20 10 CFCDRN CO[C@H]1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827964415 624141515 /nfs/dbraw/zinc/14/15/15/624141515.db2.gz NFCMWFFMRIGYEO-XQQFMLRXSA-N 0 0 277.364 2.775 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccccc1O ZINC000827969061 624141660 /nfs/dbraw/zinc/14/16/60/624141660.db2.gz HVUVZMXIJFJYJC-GWCFXTLKSA-N 0 0 265.378 2.855 20 10 CFCDRN CCc1csc(CC(=O)N[C@@H](C)c2ccccc2O)n1 ZINC000827968829 624141758 /nfs/dbraw/zinc/14/17/58/624141758.db2.gz ABDKLRVGWFAUEY-JTQLQIEISA-N 0 0 290.388 2.831 20 10 CFCDRN C[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1O ZINC000827969444 624142591 /nfs/dbraw/zinc/14/25/91/624142591.db2.gz MNCULMZNOOWCEV-NSHDSACASA-N 0 0 299.374 2.875 20 10 CFCDRN C[C@H](NC(=O)[C@@H](C)c1ccco1)c1ccccc1O ZINC000827973587 624143767 /nfs/dbraw/zinc/14/37/67/624143767.db2.gz UEUAHRRAPWMDLV-QWRGUYRKSA-N 0 0 259.305 2.966 20 10 CFCDRN C[C@H](NC(=O)c1cn(C)nc1C(F)F)c1ccccc1O ZINC000827973898 624143932 /nfs/dbraw/zinc/14/39/32/624143932.db2.gz ZZRRCOHXNDEDOQ-QMMMGPOBSA-N 0 0 295.289 2.554 20 10 CFCDRN CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827973342 624144107 /nfs/dbraw/zinc/14/41/07/624144107.db2.gz MAJJMQYVGMVOPC-LBPRGKRZSA-N 0 0 277.364 2.965 20 10 CFCDRN C[C@H](NC(=O)COC1CCCC1)c1ccccc1O ZINC000827982605 624147884 /nfs/dbraw/zinc/14/78/84/624147884.db2.gz ZIWSUNDECXYMHE-NSHDSACASA-N 0 0 263.337 2.529 20 10 CFCDRN CCc1[nH]c(=O)c(C(=O)N2Cc3cccc(O)c3C2)cc1C ZINC000828327590 624229281 /nfs/dbraw/zinc/22/92/81/624229281.db2.gz QGVYQMQELSTZMG-UHFFFAOYSA-N 0 0 298.342 2.520 20 10 CFCDRN C[C@@H](NC(=O)c1cnn(C2CCC2)c1)c1ccccc1O ZINC000828539371 624265089 /nfs/dbraw/zinc/26/50/89/624265089.db2.gz NTKVUNRMCMILRD-LLVKDONJSA-N 0 0 285.347 2.805 20 10 CFCDRN C[C@H](NC(=O)c1ccnn1C1CCC1)c1ccccc1O ZINC000828538793 624265263 /nfs/dbraw/zinc/26/52/63/624265263.db2.gz ACKHWPBCLQBQQI-NSHDSACASA-N 0 0 285.347 2.805 20 10 CFCDRN O=[S@@](CCSc1nccs1)C(F)(F)F ZINC000916759466 624283784 /nfs/dbraw/zinc/28/37/84/624283784.db2.gz OATOIWCHZTWGSZ-AWEZNQCLSA-N 0 0 261.315 2.504 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CC1(F)F)c1ccc(N(C)C)cc1 ZINC000828860334 624314600 /nfs/dbraw/zinc/31/46/00/624314600.db2.gz BOOUMANUPOQYMT-CABZTGNLSA-N 0 0 268.307 2.585 20 10 CFCDRN C[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000154663507 624427223 /nfs/dbraw/zinc/42/72/23/624427223.db2.gz OLWBEWRHZVMNIA-SNVBAGLBSA-N 0 0 285.438 2.819 20 10 CFCDRN COC(=O)c1cnc(SCC(=O)C2CCCC2)s1 ZINC000829677947 624503154 /nfs/dbraw/zinc/50/31/54/624503154.db2.gz SHYQXVXLQZBAOO-UHFFFAOYSA-N 0 0 285.390 2.781 20 10 CFCDRN CCOc1ccc(N(CC)C(=O)/C=C/c2cn(C)cn2)cc1 ZINC000930059630 624526034 /nfs/dbraw/zinc/52/60/34/624526034.db2.gz AIIFUQAPDVJXGM-IZZDOVSWSA-N 0 0 299.374 2.885 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000829846013 624565543 /nfs/dbraw/zinc/56/55/43/624565543.db2.gz RKRNKVPSDIYARS-NWDGAFQWSA-N 0 0 293.388 2.818 20 10 CFCDRN Cc1ccn([C@H](C)CC(=O)N(C)Cc2ccccc2O)n1 ZINC000830141825 624641812 /nfs/dbraw/zinc/64/18/12/624641812.db2.gz YTWRKCMEQHHYAN-CYBMUJFWSA-N 0 0 287.363 2.507 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ncccc1F ZINC000830145648 624642360 /nfs/dbraw/zinc/64/23/60/624642360.db2.gz CVNYIIYVCKSHFL-UHFFFAOYSA-N 0 0 288.322 2.979 20 10 CFCDRN COC1(C(=O)NCc2c(O)cccc2F)CCCCCC1 ZINC000830180607 624659771 /nfs/dbraw/zinc/65/97/71/624659771.db2.gz PMHRRCBPOWFXHY-UHFFFAOYSA-N 0 0 295.354 2.887 20 10 CFCDRN C[C@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000920043532 624660826 /nfs/dbraw/zinc/66/08/26/624660826.db2.gz KNHXPWZWIIJJAM-ZDUSSCGKSA-N 0 0 273.380 2.591 20 10 CFCDRN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000830477617 624757025 /nfs/dbraw/zinc/75/70/25/624757025.db2.gz YGDIATSFGCJXLN-AEFFLSMTSA-N 0 0 280.371 2.658 20 10 CFCDRN COC1(C(=O)NCc2ccccc2O)CCC(F)(F)CC1 ZINC000830526395 624772902 /nfs/dbraw/zinc/77/29/02/624772902.db2.gz LDSVZVIAQVUGBR-UHFFFAOYSA-N 0 0 299.317 2.603 20 10 CFCDRN COc1ccc(O)c(CNC(=O)C2CCC3(CC3)CC2)c1 ZINC000830543662 624776134 /nfs/dbraw/zinc/77/61/34/624776134.db2.gz AUCNLOSFMNPYNC-UHFFFAOYSA-N 0 0 289.375 2.987 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000830544294 624777048 /nfs/dbraw/zinc/77/70/48/624777048.db2.gz NXIKPTLYXFOOSW-LBPRGKRZSA-N 0 0 289.375 2.987 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000830579506 624783463 /nfs/dbraw/zinc/78/34/63/624783463.db2.gz IJELLDYGMSNTSF-SQWLQELKSA-N 0 0 272.392 2.896 20 10 CFCDRN CC(C)C1(CNC(=O)NCc2c(O)cccc2F)CC1 ZINC000921377244 624863362 /nfs/dbraw/zinc/86/33/62/624863362.db2.gz ONTHGTKWWCALRC-UHFFFAOYSA-N 0 0 280.343 2.767 20 10 CFCDRN Nc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000237983098 624993377 /nfs/dbraw/zinc/99/33/77/624993377.db2.gz CRJLNPNBLFQKFT-UHFFFAOYSA-N 0 0 292.342 2.636 20 10 CFCDRN COc1cccc(CNC(=O)Cc2ccc(C)cc2)c1O ZINC000068488440 625002532 /nfs/dbraw/zinc/00/25/32/625002532.db2.gz ZPBQWMDNYFFUEN-UHFFFAOYSA-N 0 0 285.343 2.568 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)n2C)c1 ZINC000170900888 625053193 /nfs/dbraw/zinc/05/31/93/625053193.db2.gz ZDYRLGSQFPKRRV-LLVKDONJSA-N 0 0 288.347 2.539 20 10 CFCDRN COc1ccc(N(C[C@H](O)CSC)CC2CC2)cc1 ZINC000831588269 625061621 /nfs/dbraw/zinc/06/16/21/625061621.db2.gz VLYNZPDBYGUQRB-AWEZNQCLSA-N 0 0 281.421 2.636 20 10 CFCDRN COc1ccc(CNC(=O)[C@@]2(C)CC=CCC2)c(O)c1 ZINC000831617400 625073560 /nfs/dbraw/zinc/07/35/60/625073560.db2.gz BVUZYBPMNBJDJQ-INIZCTEOSA-N 0 0 275.348 2.763 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000831808837 625138945 /nfs/dbraw/zinc/13/89/45/625138945.db2.gz PPFFXJVHRVRCKQ-UHFFFAOYSA-N 0 0 295.386 2.613 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(F)c1 ZINC000181626216 625197590 /nfs/dbraw/zinc/19/75/90/625197590.db2.gz PZPPZNRMZPICAA-UHFFFAOYSA-N 0 0 299.298 2.780 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccncc2)cc1 ZINC000181897331 625231413 /nfs/dbraw/zinc/23/14/13/625231413.db2.gz DFOYWNMOBFSQGZ-UHFFFAOYSA-N 0 0 297.402 2.787 20 10 CFCDRN CCO[C@H](CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000069960725 625250344 /nfs/dbraw/zinc/25/03/44/625250344.db2.gz YYFUGNURFPXISD-MRXNPFEDSA-N 0 0 290.407 2.500 20 10 CFCDRN CC[C@H](C)n1ncc(C(=O)Nc2ccc(N)cc2)c1C ZINC000832250656 625253747 /nfs/dbraw/zinc/25/37/47/625253747.db2.gz WJXOGYUNDWQETN-JTQLQIEISA-N 0 0 272.352 2.997 20 10 CFCDRN CCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1 ZINC000185387402 625721937 /nfs/dbraw/zinc/72/19/37/625721937.db2.gz GZWBWHAMEFNQBA-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000185523240 625733474 /nfs/dbraw/zinc/73/34/74/625733474.db2.gz ZIJGYRYOIKOCIW-OLZOCXBDSA-N 0 0 297.370 2.625 20 10 CFCDRN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185605470 625748395 /nfs/dbraw/zinc/74/83/95/625748395.db2.gz XCGOKQZTRIUSDP-RYUDHWBXSA-N 0 0 269.360 2.981 20 10 CFCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000185807868 625780118 /nfs/dbraw/zinc/78/01/18/625780118.db2.gz LPLGFLCPIKRFFX-WCQYABFASA-N 0 0 295.404 2.892 20 10 CFCDRN Cc1[nH]nc2ncc(NCc3ccc(N(C)C)cc3)cc12 ZINC000185911920 625802588 /nfs/dbraw/zinc/80/25/88/625802588.db2.gz ILQJEPZNVQKVGH-UHFFFAOYSA-N 0 0 281.363 2.944 20 10 CFCDRN COc1ccc(N[C@H]2CCc3cccc(O)c32)nc1 ZINC000834730160 625810960 /nfs/dbraw/zinc/81/09/60/625810960.db2.gz QZGQMRPWOKTDLL-LBPRGKRZSA-N 0 0 256.305 2.895 20 10 CFCDRN CC(C)OC[C@@H](O)CNc1ccccc1OCC(F)F ZINC000186076414 625832392 /nfs/dbraw/zinc/83/23/92/625832392.db2.gz QTTKXZUVDSNGAD-NSHDSACASA-N 0 0 289.322 2.528 20 10 CFCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000840762914 625901624 /nfs/dbraw/zinc/90/16/24/625901624.db2.gz CCBHGCAVKPBUTF-JLLWLGSASA-N 0 0 253.317 2.749 20 10 CFCDRN C[C@H]([NH2+]CC1=CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000834860925 625904618 /nfs/dbraw/zinc/90/46/18/625904618.db2.gz VOCZGOPMYLAKLC-VIFPVBQESA-N 0 0 269.291 2.668 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1cc(F)cc(F)c1[O-] ZINC000834871344 625905874 /nfs/dbraw/zinc/90/58/74/625905874.db2.gz NKFFUBWHTVVLAJ-VIFPVBQESA-N 0 0 273.323 2.730 20 10 CFCDRN CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834882980 625908439 /nfs/dbraw/zinc/90/84/39/625908439.db2.gz FPXHNUKCAQUXMH-WZRBSPASSA-N 0 0 277.364 2.876 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc(Cl)c1[O-] ZINC000834892252 625911524 /nfs/dbraw/zinc/91/15/24/625911524.db2.gz USDGZWXJPYMCCR-ZWNOBZJWSA-N 0 0 296.798 2.707 20 10 CFCDRN CO[C@@H](C(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000851631768 634464061 /nfs/dbraw/zinc/46/40/61/634464061.db2.gz GZMJLKKNJWNUIC-MRXNPFEDSA-N 0 0 290.407 2.523 20 10 CFCDRN Nc1ccc(CCNC(=O)NCCCC2CCC2)cc1 ZINC000851663002 634474202 /nfs/dbraw/zinc/47/42/02/634474202.db2.gz QHFIBCBAPDUMSL-UHFFFAOYSA-N 0 0 275.396 2.691 20 10 CFCDRN CCC(C)(C)[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000851663258 634474524 /nfs/dbraw/zinc/47/45/24/634474524.db2.gz XDJJTFMQMPRECI-GFCCVEGCSA-N 0 0 277.412 2.935 20 10 CFCDRN CCN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000851707042 634480069 /nfs/dbraw/zinc/48/00/69/634480069.db2.gz QCBHXHDCLIWZNR-UHFFFAOYSA-N 0 0 276.380 2.582 20 10 CFCDRN C[C@H](NCc1ccc2c(c1)CCCO2)c1csnn1 ZINC000922185669 626235880 /nfs/dbraw/zinc/23/58/80/626235880.db2.gz OLFMPVGNTJJDTN-JTQLQIEISA-N 0 0 275.377 2.714 20 10 CFCDRN CC1(C)CC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000922480643 626293572 /nfs/dbraw/zinc/29/35/72/626293572.db2.gz YGVNGTOLLHJBEN-LBPRGKRZSA-N 0 0 266.316 2.519 20 10 CFCDRN COC[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000922546131 626305082 /nfs/dbraw/zinc/30/50/82/626305082.db2.gz YEXPILDOIIHMLQ-IYNGYCSASA-N 0 0 294.347 2.573 20 10 CFCDRN CC(C)(/C=C/Cl)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000922648451 626332096 /nfs/dbraw/zinc/33/20/96/626332096.db2.gz KBGJABZBUZWAJO-AATRIKPKSA-N 0 0 270.716 2.921 20 10 CFCDRN C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000922843365 626378253 /nfs/dbraw/zinc/37/82/53/626378253.db2.gz QQKHWEVFJHXPHW-GXSJLCMTSA-N 0 0 282.365 2.674 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922898262 626422617 /nfs/dbraw/zinc/42/26/17/626422617.db2.gz XIJOTBFWUUICIN-IAQYHMDHSA-N 0 0 297.345 2.965 20 10 CFCDRN CCCc1cnc(NC(=O)c2cccc(O)c2O)s1 ZINC000187219527 626480889 /nfs/dbraw/zinc/48/08/89/626480889.db2.gz MCPAJHKGXDHRIX-UHFFFAOYSA-N 0 0 278.333 2.759 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c(O)c1O ZINC000838036009 626483896 /nfs/dbraw/zinc/48/38/96/626483896.db2.gz FHZYGLILIQQVLV-IAQYHMDHSA-N 0 0 263.337 2.571 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000838036795 626483976 /nfs/dbraw/zinc/48/39/76/626483976.db2.gz KHKVDNDTQUAVCP-HMQGTJFBSA-N 0 0 275.348 2.662 20 10 CFCDRN CC[C@@H](CC(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000838254038 626491007 /nfs/dbraw/zinc/49/10/07/626491007.db2.gz WPQDITFVTKPROG-NSHDSACASA-N 0 0 294.347 2.896 20 10 CFCDRN Cc1cc(C)c(CNC(=O)N(C)Cc2ccccc2O)cn1 ZINC000838721326 626504196 /nfs/dbraw/zinc/50/41/96/626504196.db2.gz WBQYHQAAZJZANG-UHFFFAOYSA-N 0 0 299.374 2.746 20 10 CFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000838764665 626504903 /nfs/dbraw/zinc/50/49/03/626504903.db2.gz OSYNWIRCENKENM-ZBFHGGJFSA-N 0 0 276.380 2.968 20 10 CFCDRN CN(Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000121351471 626515033 /nfs/dbraw/zinc/51/50/33/626515033.db2.gz ZOCMTPIJSBUGLI-UHFFFAOYSA-N 0 0 286.287 2.960 20 10 CFCDRN CCn1ncc(CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000839003183 626519809 /nfs/dbraw/zinc/51/98/09/626519809.db2.gz CQLDAKZPJVELJS-UHFFFAOYSA-N 0 0 280.759 2.596 20 10 CFCDRN CCOC1CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000839130999 626527789 /nfs/dbraw/zinc/52/77/89/626527789.db2.gz LPSIVMCKGKNUSS-UHFFFAOYSA-N 0 0 255.745 2.575 20 10 CFCDRN 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RKQSFPXGGRFQFX-UHFFFAOYSA-N 0 0 267.369 2.919 20 10 CFCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774942620 627980907 /nfs/dbraw/zinc/98/09/07/627980907.db2.gz OFKHSKNUOSCBBE-UHFFFAOYSA-N 0 0 288.303 2.599 20 10 CFCDRN C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775406570 628021437 /nfs/dbraw/zinc/02/14/37/628021437.db2.gz YKCFTLUKNJASER-CXAGYDPISA-N 0 0 298.386 2.663 20 10 CFCDRN Cc1ncoc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775405296 628021678 /nfs/dbraw/zinc/02/16/78/628021678.db2.gz SCDGNGFTGCZQJS-SNVBAGLBSA-N 0 0 273.336 2.540 20 10 CFCDRN C[C@H](NC(=O)CCc1ccncc1)c1ccc(N(C)C)cc1 ZINC000775402979 628021846 /nfs/dbraw/zinc/02/18/46/628021846.db2.gz JEDNIOUWHSOLTP-AWEZNQCLSA-N 0 0 297.402 2.958 20 10 CFCDRN C[C@@H](NC(=O)CC1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC000775410819 628022271 /nfs/dbraw/zinc/02/22/71/628022271.db2.gz MWBZUXPGFDRHKU-CYBMUJFWSA-N 0 0 290.407 2.625 20 10 CFCDRN C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(N(C)C)cc1 ZINC000775411950 628023157 /nfs/dbraw/zinc/02/31/57/628023157.db2.gz RYQZGRHEJPHEGP-ZDUSSCGKSA-N 0 0 298.386 2.878 20 10 CFCDRN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775656007 628050155 /nfs/dbraw/zinc/05/01/55/628050155.db2.gz ABEXMKXSALOWNV-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN CC[N@H+](CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649297 628050578 /nfs/dbraw/zinc/05/05/78/628050578.db2.gz NSGXJHHTBPVALN-UHFFFAOYSA-N 0 0 261.724 2.653 20 10 CFCDRN COC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775690176 628056002 /nfs/dbraw/zinc/05/60/02/628056002.db2.gz KJOCFDFMYSUKTF-SECBINFHSA-N 0 0 273.735 2.653 20 10 CFCDRN C[C@@H](NC(=O)Nc1ccon1)c1ccc(N(C)C)cc1 ZINC000775704085 628057021 /nfs/dbraw/zinc/05/70/21/628057021.db2.gz CWUNCCFJNJBLKW-SNVBAGLBSA-N 0 0 274.324 2.623 20 10 CFCDRN COc1ccc(O)c(CNc2cccc(-n3ccnn3)c2)c1 ZINC000775749228 628062486 /nfs/dbraw/zinc/06/24/86/628062486.db2.gz FFLIIRXTAXFLSZ-UHFFFAOYSA-N 0 0 296.330 2.594 20 10 CFCDRN CCCc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775837403 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ZINC000776231021 628120739 /nfs/dbraw/zinc/12/07/39/628120739.db2.gz FTIBKWSRKWFCBS-UHFFFAOYSA-N 0 0 268.719 2.813 20 10 CFCDRN COC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000776240898 628121086 /nfs/dbraw/zinc/12/10/86/628121086.db2.gz XZAQBPAQDGWOKL-UHFFFAOYSA-N 0 0 269.366 2.533 20 10 CFCDRN C[C@@H](NC(=O)N1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000776240948 628121416 /nfs/dbraw/zinc/12/14/16/628121416.db2.gz YVBWXHMJNCPQOZ-QWHCGFSZSA-N 0 0 275.396 2.865 20 10 CFCDRN CSCCCCCNC(=O)C1=CC(=O)CS1 ZINC000776264023 628123654 /nfs/dbraw/zinc/12/36/54/628123654.db2.gz GERCTZNLODAESK-UHFFFAOYSA-N 0 0 259.396 2.717 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1nc2c(s1)CCCC2 ZINC000776264053 628123804 /nfs/dbraw/zinc/12/38/04/628123804.db2.gz VJWPKIQAWIRKPQ-YVMONPNESA-N 0 0 282.415 2.511 20 10 CFCDRN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000776292357 628127296 /nfs/dbraw/zinc/12/72/96/628127296.db2.gz JGVIMYMXKQLGGQ-TZMCWYRMSA-N 0 0 260.381 2.805 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1cc(F)cc(Cl)c1 ZINC000776722548 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/nfs/dbraw/zinc/35/42/23/628354223.db2.gz JBMWIXNEDGDOEZ-UHFFFAOYSA-N 0 0 263.316 2.977 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1ccc2cnccc2c1 ZINC000779221144 628360956 /nfs/dbraw/zinc/36/09/56/628360956.db2.gz OTXAJMZOTONQRE-WDZFZDKYSA-N 0 0 272.354 2.724 20 10 CFCDRN CC(C)(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779495416 628385252 /nfs/dbraw/zinc/38/52/52/628385252.db2.gz FBFKJRZVSFMCDO-ALCCZGGFSA-N 0 0 263.337 2.663 20 10 CFCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000779519894 628386630 /nfs/dbraw/zinc/38/66/30/628386630.db2.gz FQAVXPAVEISDMC-LXSSAFMLSA-N 0 0 277.364 2.909 20 10 CFCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1O ZINC000779533106 628387117 /nfs/dbraw/zinc/38/71/17/628387117.db2.gz WFAWIYMPGQQZSW-DAXSKMNVSA-N 0 0 285.299 2.764 20 10 CFCDRN Cc1ccc(O)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779541409 628387587 /nfs/dbraw/zinc/38/75/87/628387587.db2.gz GOEOLSRBZUNJBL-QPJJXVBHSA-N 0 0 285.299 2.764 20 10 CFCDRN CCc1cccc2c1N(C(=O)/C=C\c1cncc(O)c1)CC2 ZINC000779660680 628392643 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/nfs/dbraw/zinc/51/17/96/628511796.db2.gz VCBLBBSVVJKRPV-UHFFFAOYSA-N 0 0 277.251 2.503 20 10 CFCDRN O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cccc(O)c1O ZINC000839804896 628542369 /nfs/dbraw/zinc/54/23/69/628542369.db2.gz CVEOQORYMWXHLD-NEPJUHHUSA-N 0 0 275.348 2.654 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000782880924 628661624 /nfs/dbraw/zinc/66/16/24/628661624.db2.gz VRHCPSPCHLTKCW-LBPRGKRZSA-N 0 0 288.372 2.554 20 10 CFCDRN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ncn(C)n1 ZINC000783299053 628698235 /nfs/dbraw/zinc/69/82/35/628698235.db2.gz QGOMFGHWUZMQRL-WCABBAIRSA-N 0 0 290.342 2.559 20 10 CFCDRN CCC[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783321124 628699791 /nfs/dbraw/zinc/69/97/91/628699791.db2.gz DBSRWEKSKPUKNJ-SNVBAGLBSA-N 0 0 280.320 2.650 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(C)(C)O1 ZINC000783591673 628724768 /nfs/dbraw/zinc/72/47/68/628724768.db2.gz WQUOUPSUFHHHJN-OAHLLOKOSA-N 0 0 290.407 2.635 20 10 CFCDRN CCc1cnc(/C=C2/SC(=S)N(CC)C2=O)s1 ZINC000783697154 628736006 /nfs/dbraw/zinc/73/60/06/628736006.db2.gz NFKFUPNOBZFKML-VMPITWQZSA-N 0 0 284.431 2.927 20 10 CFCDRN CCC(CC)CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784116393 628779097 /nfs/dbraw/zinc/77/90/97/628779097.db2.gz GIIAKOVOUTYLDZ-UHFFFAOYSA-N 0 0 280.320 2.650 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@H](C)C1 ZINC000784438677 628817318 /nfs/dbraw/zinc/81/73/18/628817318.db2.gz RJQFKHIQVNEEAS-OCCSQVGLSA-N 0 0 277.364 2.556 20 10 CFCDRN C/C(=C\C(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784802863 628843033 /nfs/dbraw/zinc/84/30/33/628843033.db2.gz YWHRMWQSMVWPGX-CSKARUKUSA-N 0 0 292.331 2.816 20 10 CFCDRN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000786137737 628939387 /nfs/dbraw/zinc/93/93/87/628939387.db2.gz AVKNDALLYKHYKA-YNEHKIRRSA-N 0 0 293.411 2.536 20 10 CFCDRN Cn1c(=O)ccc2ccc(NCc3cc(F)ccc3O)cc21 ZINC000787296507 629005469 /nfs/dbraw/zinc/00/54/69/629005469.db2.gz NSHQUJZBFASACO-UHFFFAOYSA-N 0 0 298.317 2.995 20 10 CFCDRN Cc1cccc(CNc2ccc3c(c2)N(C(N)=O)CC3)c1O ZINC000787313288 629005834 /nfs/dbraw/zinc/00/58/34/629005834.db2.gz IGZJXHPNFZTXCR-UHFFFAOYSA-N 0 0 297.358 2.754 20 10 CFCDRN O=C(Nc1nc2cc(F)ccc2[nH]1)C1=CC(=O)CS1 ZINC000787928271 629042833 /nfs/dbraw/zinc/04/28/33/629042833.db2.gz DNSACCPMIJQNJF-UHFFFAOYSA-N 0 0 277.280 2.721 20 10 CFCDRN C[C@H]([NH2+]Cc1ccnn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000788525268 629079096 /nfs/dbraw/zinc/07/90/96/629079096.db2.gz KOKVZXUGDNKEJA-VIFPVBQESA-N 0 0 299.296 2.995 20 10 CFCDRN CCn1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1=O ZINC000788609388 629086567 /nfs/dbraw/zinc/08/65/67/629086567.db2.gz VCDPHWFAXCZLFE-LLVKDONJSA-N 0 0 290.338 2.564 20 10 CFCDRN COc1ccc(N(C)CCC[C@H](C)O)cc1Cl ZINC000789329416 629147757 /nfs/dbraw/zinc/14/77/57/629147757.db2.gz DTOXJPHQAZVVDH-JTQLQIEISA-N 0 0 257.761 2.946 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C2=CC(=O)CS2)C1 ZINC000789918652 629196482 /nfs/dbraw/zinc/19/64/82/629196482.db2.gz ORIXEBDZZJFIEW-OPRDCNLKSA-N 0 0 253.367 2.960 20 10 CFCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1 ZINC000790038101 629205076 /nfs/dbraw/zinc/20/50/76/629205076.db2.gz XIFSKXVOMQNSKU-CYBMUJFWSA-N 0 0 283.375 2.947 20 10 CFCDRN Oc1ccc(CCNC(=S)Nc2ccsc2)cc1O ZINC000790299216 629226904 /nfs/dbraw/zinc/22/69/04/629226904.db2.gz MXULOVGIJNEWGB-UHFFFAOYSA-N 0 0 294.401 2.688 20 10 CFCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1F ZINC000790523340 629245077 /nfs/dbraw/zinc/24/50/77/629245077.db2.gz RJJYPSXPNAMYKL-QMMMGPOBSA-N 0 0 293.269 2.867 20 10 CFCDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(O)c1O ZINC000790571229 629249172 /nfs/dbraw/zinc/24/91/72/629249172.db2.gz DJDYAVRBVMJJIE-AWEZNQCLSA-N 0 0 283.327 2.824 20 10 CFCDRN O=C(NCc1cc2ccccc2[nH]1)c1cccc(O)c1O ZINC000790599153 629251461 /nfs/dbraw/zinc/25/14/61/629251461.db2.gz TVADCUNTTXCSKU-UHFFFAOYSA-N 0 0 282.299 2.509 20 10 CFCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(O)c1O ZINC000790704245 629258154 /nfs/dbraw/zinc/25/81/54/629258154.db2.gz OJKQQRRIOZLHBU-BONVTDFDSA-N 0 0 283.327 2.761 20 10 CFCDRN CCC(CC)[C@H](CCNC(=O)c1cccc(O)c1O)OC ZINC000790899428 629270546 /nfs/dbraw/zinc/27/05/46/629270546.db2.gz JTWWCZWSFBWSTJ-AWEZNQCLSA-N 0 0 295.379 2.669 20 10 CFCDRN O=C(NCCCc1cccs1)c1cccc(O)c1O ZINC000790910528 629271201 /nfs/dbraw/zinc/27/12/01/629271201.db2.gz BOUGHNWCUCRPGN-UHFFFAOYSA-N 0 0 277.345 2.522 20 10 CFCDRN CCc1nc(C)c(NC(=O)c2cccc(O)c2O)s1 ZINC000790943507 629273015 /nfs/dbraw/zinc/27/30/15/629273015.db2.gz LHONRSWBNHAQHQ-UHFFFAOYSA-N 0 0 278.333 2.677 20 10 CFCDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cn[nH]c1 ZINC000790980233 629277087 /nfs/dbraw/zinc/27/70/87/629277087.db2.gz LMITWLGYHDPPCO-ZETCQYMHSA-N 0 0 269.707 2.759 20 10 CFCDRN Cc1cc(NCc2c(O)ccc(Cl)c2F)nn1C ZINC000790983678 629277362 /nfs/dbraw/zinc/27/73/62/629277362.db2.gz UNTVYIOZYUJFQF-UHFFFAOYSA-N 0 0 269.707 2.839 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000790989063 629277856 /nfs/dbraw/zinc/27/78/56/629277856.db2.gz WVMKOMAJJHGQFO-BXKDBHETSA-N 0 0 287.762 2.825 20 10 CFCDRN CC[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCOC1 ZINC000791001946 629279454 /nfs/dbraw/zinc/27/94/54/629279454.db2.gz AUZQADOJSWNPFL-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CC3(CCC3)c3ccccc32)cn1 ZINC000791019362 629281634 /nfs/dbraw/zinc/28/16/34/629281634.db2.gz HYQLRXUUFRBXFW-FPLPWBNLSA-N 0 0 293.370 2.902 20 10 CFCDRN O=C(NCc1ccc(C2CC2)cc1)c1cccc(O)c1O ZINC000791184516 629291611 /nfs/dbraw/zinc/29/16/11/629291611.db2.gz YMJLBYAGZWXDFK-UHFFFAOYSA-N 0 0 283.327 2.905 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)c2nccc(C)n2)cc1 ZINC000791523030 629326491 /nfs/dbraw/zinc/32/64/91/629326491.db2.gz QDSNAAOKVWZXNB-UHFFFAOYSA-N 0 0 298.390 2.561 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2[C@H](C)C[C@H]2C)c1O ZINC000791564871 629333562 /nfs/dbraw/zinc/33/35/62/629333562.db2.gz ASIWCCAIKALJGH-RKDXNWHRSA-N 0 0 251.301 2.717 20 10 CFCDRN Cc1nnc(CNC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835044701 629341846 /nfs/dbraw/zinc/34/18/46/629341846.db2.gz OEHRXSYYRNITNR-PLNGDYQASA-N 0 0 288.420 2.716 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCOCC(F)(F)C2)cc1 ZINC000835052619 629353103 /nfs/dbraw/zinc/35/31/03/629353103.db2.gz HUTQMWWMKTZRGH-ONEGZZNKSA-N 0 0 296.361 2.733 20 10 CFCDRN C[C@@H](O)CN(C/C=C/c1ccc(N(C)C)cc1)CC(F)F ZINC000835054250 629356365 /nfs/dbraw/zinc/35/63/65/629356365.db2.gz IABHKOWLFRIKRS-MUBLQREKSA-N 0 0 298.377 2.714 20 10 CFCDRN CN(C)c1ccc(/C=C/CN2CCCc3n[nH]cc32)cc1 ZINC000835055203 629359836 /nfs/dbraw/zinc/35/98/36/629359836.db2.gz WYCZCANLVJXQOQ-HWKANZROSA-N 0 0 282.391 2.942 20 10 CFCDRN C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])O1 ZINC000835086724 629385265 /nfs/dbraw/zinc/38/52/65/629385265.db2.gz LHEXYRYOZJSRKQ-WCBMZHEXSA-N 0 0 273.735 2.842 20 10 CFCDRN C[C@H](O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174330 629405731 /nfs/dbraw/zinc/40/57/31/629405731.db2.gz RYXQFFKBTMOITD-UWVGGRQHSA-N 0 0 287.762 2.778 20 10 CFCDRN COc1cc(Cl)cc(CN[C@H](C)c2nc(C)no2)c1O ZINC000792176564 629406721 /nfs/dbraw/zinc/40/67/21/629406721.db2.gz HTSAAVBLKAQYIO-SSDOTTSWSA-N 0 0 297.742 2.596 20 10 CFCDRN C[C@H](NC(=O)C(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000792332792 629421447 /nfs/dbraw/zinc/42/14/47/629421447.db2.gz NTBFVLFHGPCQMP-ZDUSSCGKSA-N 0 0 296.370 2.813 20 10 CFCDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C1=CC(=O)CS1 ZINC000792675519 629443562 /nfs/dbraw/zinc/44/35/62/629443562.db2.gz XFQJPQXUARZAMR-HTRCEHHLSA-N 0 0 279.283 2.867 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC000792847226 629457847 /nfs/dbraw/zinc/45/78/47/629457847.db2.gz GQZLJKKNFFQLPE-QGZVFWFLSA-N 0 0 298.361 2.848 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC000792850931 629457994 /nfs/dbraw/zinc/45/79/94/629457994.db2.gz SQBYSXWAOUVSKQ-MNOVXSKESA-N 0 0 280.368 2.635 20 10 CFCDRN COc1ccc(CNC(=O)N[C@@H]2CCCC2(C)C)c(O)c1 ZINC000792974513 629472016 /nfs/dbraw/zinc/47/20/16/629472016.db2.gz AQWJTMMXILTLSF-CQSZACIVSA-N 0 0 292.379 2.779 20 10 CFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](C)C2)c1 ZINC000793016642 629476370 /nfs/dbraw/zinc/47/63/70/629476370.db2.gz 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/nfs/dbraw/zinc/62/64/05/629626405.db2.gz SWYHKXNGUSDHSM-KOLCDFICSA-N 0 0 263.337 2.572 20 10 CFCDRN COc1ccc(CNC(=O)CCc2ccccc2)c(O)c1 ZINC000794372631 629641253 /nfs/dbraw/zinc/64/12/53/629641253.db2.gz BNEDDLDRURYSNY-UHFFFAOYSA-N 0 0 285.343 2.650 20 10 CFCDRN CCc1oc(C(=O)NCc2ccc(OC)cc2O)cc1C ZINC000794372603 629641271 /nfs/dbraw/zinc/64/12/71/629641271.db2.gz BGCSANCNCBDIBO-UHFFFAOYSA-N 0 0 289.331 2.795 20 10 CFCDRN CCC(CC)CC(=O)NCc1ccc(OC)cc1O ZINC000794376906 629641343 /nfs/dbraw/zinc/64/13/43/629641343.db2.gz CSLPXXQHCXGTOU-UHFFFAOYSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1ccc(CNC(=O)Cc2ccc(C)c(C)c2)c(O)c1 ZINC000794378065 629641454 /nfs/dbraw/zinc/64/14/54/629641454.db2.gz OPDOWLBVPIINJA-UHFFFAOYSA-N 0 0 299.370 2.877 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C)cc2)c(O)c1 ZINC000794374345 629641572 /nfs/dbraw/zinc/64/15/72/629641572.db2.gz PTONKGDHGWLNSK-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN COc1ccc(CNC(=O)c2ccccc2C)c(O)c1 ZINC000794383886 629642010 /nfs/dbraw/zinc/64/20/10/629642010.db2.gz RWZWWBWJFUGPAT-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN COc1ccc(CNC(=O)CSCCC(C)C)c(O)c1 ZINC000794383989 629642349 /nfs/dbraw/zinc/64/23/49/629642349.db2.gz VHXSUGLCEYVMDZ-UHFFFAOYSA-N 0 0 297.420 2.796 20 10 CFCDRN COc1ccc(CNC(=O)C2CCCCCC2)c(O)c1 ZINC000794389653 629642688 /nfs/dbraw/zinc/64/26/88/629642688.db2.gz BQNDGIHBZWRUPI-UHFFFAOYSA-N 0 0 277.364 2.987 20 10 CFCDRN COc1ccc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)c(O)c1 ZINC000794387325 629642970 /nfs/dbraw/zinc/64/29/70/629642970.db2.gz IZPPZOXODLHJHA-CJNGLKHVSA-N 0 0 277.364 2.699 20 10 CFCDRN CCc1cc(C)c(C(=O)NCc2ccc(OC)cc2O)o1 ZINC000794387228 629642973 /nfs/dbraw/zinc/64/29/73/629642973.db2.gz GXQZUVPJIQUQME-UHFFFAOYSA-N 0 0 289.331 2.795 20 10 CFCDRN CC[C@](C)(OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000795270481 629755464 /nfs/dbraw/zinc/75/54/64/629755464.db2.gz MGRBACDOLCTFJQ-WBMJQRKESA-N 0 0 278.396 2.745 20 10 CFCDRN COc1ccc(CNc2nc(C(C)C)no2)c(O)c1 ZINC000795286090 629756830 /nfs/dbraw/zinc/75/68/30/629756830.db2.gz ZNVSGPNPZLBBII-UHFFFAOYSA-N 0 0 263.297 2.519 20 10 CFCDRN COc1ccc(CNc2nc(C)nc3[nH]ccc32)c(O)c1 ZINC000795291825 629757611 /nfs/dbraw/zinc/75/76/11/629757611.db2.gz DJUCNHQJKSZXJI-UHFFFAOYSA-N 0 0 284.319 2.593 20 10 CFCDRN COc1ccc(CNc2nccnc2OC(C)C)c(O)c1 ZINC000795290796 629757765 /nfs/dbraw/zinc/75/77/65/629757765.db2.gz XPPDZNJUXCIGJD-UHFFFAOYSA-N 0 0 289.335 2.590 20 10 CFCDRN COc1ccc(CNc2ccsc2[N+](=O)[O-])c(O)c1 ZINC000795290334 629758018 /nfs/dbraw/zinc/75/80/18/629758018.db2.gz RTTCXYAZZUXJMY-UHFFFAOYSA-N 0 0 280.305 2.983 20 10 CFCDRN Cc1ccc(O)c(CNc2cn(Cc3ccccc3)nn2)c1 ZINC000795805888 629836693 /nfs/dbraw/zinc/83/66/93/629836693.db2.gz NABSWYXVCGKYQR-UHFFFAOYSA-N 0 0 294.358 2.953 20 10 CFCDRN COc1ccc(N(CCC(C)C)CC2OCCO2)cc1 ZINC000796504304 629927184 /nfs/dbraw/zinc/92/71/84/629927184.db2.gz MRARAGHCNQEKMC-UHFFFAOYSA-N 0 0 279.380 2.921 20 10 CFCDRN CC[C@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1[O-] ZINC000796697148 629952028 /nfs/dbraw/zinc/95/20/28/629952028.db2.gz UMMLFOFKBZTLSL-ZDUSSCGKSA-N 0 0 263.316 2.506 20 10 CFCDRN CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796779926 629965477 /nfs/dbraw/zinc/96/54/77/629965477.db2.gz OWMVAVZWHUBWIC-SWLSCSKDSA-N 0 0 280.387 2.914 20 10 CFCDRN CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc(F)cc1[O-] ZINC000796815654 629971751 /nfs/dbraw/zinc/97/17/51/629971751.db2.gz FLXFLRCPJUAQFL-UONOGXRCSA-N 0 0 267.344 2.733 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(F)cc1[O-] ZINC000796848508 629978317 /nfs/dbraw/zinc/97/83/17/629978317.db2.gz RZKKKKXPTKCSFT-OBJOEFQTSA-N 0 0 267.344 2.876 20 10 CFCDRN CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796952967 629995201 /nfs/dbraw/zinc/99/52/01/629995201.db2.gz JXAXEULLONFSRC-GWCFXTLKSA-N 0 0 255.333 2.997 20 10 CFCDRN CC(C)n1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000797761878 630101185 /nfs/dbraw/zinc/10/11/85/630101185.db2.gz HULDLLGBDVHIHN-GQCTYLIASA-N 0 0 287.319 2.527 20 10 CFCDRN Cn1cc(/C=C/C(=O)N2CCCCc3sccc32)cn1 ZINC000798046965 630144091 /nfs/dbraw/zinc/14/40/91/630144091.db2.gz MPQBKVNWABNOTM-AATRIKPKSA-N 0 0 287.388 2.864 20 10 CFCDRN COc1ccc(O)c(CNc2ccc(N3CCC3=O)cc2)c1 ZINC000798960620 630264601 /nfs/dbraw/zinc/26/46/01/630264601.db2.gz ISCASFVJSZBSRQ-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000798961737 630264717 /nfs/dbraw/zinc/26/47/17/630264717.db2.gz CTUOOTVHZSAXMF-GHMZBOCLSA-N 0 0 294.351 2.835 20 10 CFCDRN COc1ccc(N(CCC(C)C)C[C@@H](C)O)cc1 ZINC000799169501 630282318 /nfs/dbraw/zinc/28/23/18/630282318.db2.gz LWVMOQQOBXHSQF-CYBMUJFWSA-N 0 0 251.370 2.929 20 10 CFCDRN CCOCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000799370684 630304871 /nfs/dbraw/zinc/30/48/71/630304871.db2.gz TUTNALWDBOXQAN-ZDUSSCGKSA-N 0 0 290.407 2.747 20 10 CFCDRN CCN(Cc1occc1C)C(=O)c1c(F)ccc(O)c1O ZINC000839883274 630321775 /nfs/dbraw/zinc/32/17/75/630321775.db2.gz FHOSQBGFNNRYGS-UHFFFAOYSA-N 0 0 293.294 2.801 20 10 CFCDRN Cn1c(=O)[nH]c2ccc(NCc3cc(F)ccc3O)cc21 ZINC000799740653 630342021 /nfs/dbraw/zinc/34/20/21/630342021.db2.gz XQCFHLIBEHNMHI-UHFFFAOYSA-N 0 0 287.294 2.736 20 10 CFCDRN C[C@@H](NS(=O)(=O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000799803281 630345417 /nfs/dbraw/zinc/34/54/17/630345417.db2.gz GMYITYRSRNVINQ-GFCCVEGCSA-N 0 0 298.452 2.779 20 10 CFCDRN COC(=O)c1cc(/C=C2\C(=O)Nc3cc(C)cc(C)c32)c[nH]1 ZINC000799897099 630352695 /nfs/dbraw/zinc/35/26/95/630352695.db2.gz MXHPBQYTIVVNNM-SDQBBNPISA-N 0 0 296.326 2.911 20 10 CFCDRN CCOC(CN(C)c1ccc(OC)cc1)OCC ZINC000110783578 634807490 /nfs/dbraw/zinc/80/74/90/634807490.db2.gz LZTWJKJCLJWCLE-UHFFFAOYSA-N 0 0 253.342 2.531 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000800538271 630394660 /nfs/dbraw/zinc/39/46/60/630394660.db2.gz NEEFBBLVWKBFLG-UHFFFAOYSA-N 0 0 285.746 2.940 20 10 CFCDRN CCOCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919263 630403245 /nfs/dbraw/zinc/40/32/45/630403245.db2.gz QJSTXTHMBHKLRY-AWEZNQCLSA-N 0 0 292.423 2.535 20 10 CFCDRN C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1ccc(N(C)C)cc1 ZINC000800942819 630418015 /nfs/dbraw/zinc/41/80/15/630418015.db2.gz GSZHSTCJUQJXOY-XDTLVQLUSA-N 0 0 282.334 2.831 20 10 CFCDRN CCOc1ccc(N(C)Cc2ccc(OC)nn2)cc1 ZINC000801517837 630452624 /nfs/dbraw/zinc/45/26/24/630452624.db2.gz NRVNIUZDEQIMCD-UHFFFAOYSA-N 0 0 273.336 2.520 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)C ZINC000801549451 630456801 /nfs/dbraw/zinc/45/68/01/630456801.db2.gz OJFQYGDCKXSKIM-OAHLLOKOSA-N 0 0 293.407 2.928 20 10 CFCDRN COCCO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000802652193 630535047 /nfs/dbraw/zinc/53/50/47/630535047.db2.gz PFERHXDCPIMHEY-CYBMUJFWSA-N 0 0 299.798 2.673 20 10 CFCDRN COc1ccc(CNC(=O)c2csc(C)c2)c(O)c1 ZINC000803292609 630599690 /nfs/dbraw/zinc/59/96/90/630599690.db2.gz SEERXOFGYNLBKO-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN O=C(OC[C@H]1Cc2ccccc21)C1=CC(=O)CS1 ZINC000803345753 630604278 /nfs/dbraw/zinc/60/42/78/630604278.db2.gz GIAZMDXBNSCPNH-SNVBAGLBSA-N 0 0 260.314 2.950 20 10 CFCDRN Cc1cc(=O)[nH]c(C=Cc2ccc3c(c2)CCN3C)n1 ZINC000806574765 630814673 /nfs/dbraw/zinc/81/46/73/630814673.db2.gz VWPAIHDNUSPVAM-GQCTYLIASA-N 0 0 267.332 2.653 20 10 CFCDRN Cc1cc(C(=O)Cn2ccnn2)c(C)n1-c1ccc(C)cc1 ZINC000806572687 630815113 /nfs/dbraw/zinc/81/51/13/630815113.db2.gz MUYXCMAZBRVXNI-UHFFFAOYSA-N 0 0 294.358 2.877 20 10 CFCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1COCCO1 ZINC000806585786 630816941 /nfs/dbraw/zinc/81/69/41/630816941.db2.gz KMCQETQFYIEARY-CYBMUJFWSA-N 0 0 290.388 2.595 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Nc1cc2c(cn1)CCC2 ZINC000836700234 630869533 /nfs/dbraw/zinc/86/95/33/630869533.db2.gz WFQYNSLRSDBRCA-UHFFFAOYSA-N 0 0 297.358 2.940 20 10 CFCDRN O=C(NC1(Cc2ccccc2)CC1)c1cccc(O)c1O ZINC000807268379 630872509 /nfs/dbraw/zinc/87/25/09/630872509.db2.gz NSGHQNJLROTWQC-UHFFFAOYSA-N 0 0 283.327 2.603 20 10 CFCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCC1 ZINC000836847254 630899379 /nfs/dbraw/zinc/89/93/79/630899379.db2.gz FGHIRRBCMYHNSA-CLFYSBASSA-N 0 0 275.348 2.806 20 10 CFCDRN Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1O ZINC000836882637 630907546 /nfs/dbraw/zinc/90/75/46/630907546.db2.gz AVOKQRGCFPYRNT-UONOGXRCSA-N 0 0 287.359 2.667 20 10 CFCDRN CC(=O)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000808010503 630941666 /nfs/dbraw/zinc/94/16/66/630941666.db2.gz AXBRTDNHJVAPKM-UHFFFAOYSA-N 0 0 262.252 2.956 20 10 CFCDRN CC(=O)C(=O)CSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 ZINC000808029736 630943624 /nfs/dbraw/zinc/94/36/24/630943624.db2.gz SMCYVWOTYLALRZ-BXKDBHETSA-N 0 0 295.408 2.588 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000808093906 630949246 /nfs/dbraw/zinc/94/92/46/630949246.db2.gz YSQFXBNSLKTGQE-JYAVWHMHSA-N 0 0 294.391 2.930 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)cc1 ZINC000808094939 630950348 /nfs/dbraw/zinc/95/03/48/630950348.db2.gz KQVPDNNBQVTNTB-UHFFFAOYSA-N 0 0 294.322 2.947 20 10 CFCDRN CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC000837302662 630993308 /nfs/dbraw/zinc/99/33/08/630993308.db2.gz BNABMAZDNVWGPO-OAHLLOKOSA-N 0 0 276.380 2.623 20 10 CFCDRN Nc1ccc(CNC(=O)c2scnc2C2CC2)cc1 ZINC000837302708 630993418 /nfs/dbraw/zinc/99/34/18/630993418.db2.gz CWJGUKXIBYWDKL-UHFFFAOYSA-N 0 0 273.361 2.533 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1sccc1-c1ccccc1 ZINC000808483392 631001116 /nfs/dbraw/zinc/00/11/16/631001116.db2.gz KRZQMKXGTTWHQG-UHFFFAOYSA-N 0 0 288.324 2.730 20 10 CFCDRN CC[C@H](CC(=O)OCC(=O)C(C)=O)c1ccc(C)cc1 ZINC000808518409 631006895 /nfs/dbraw/zinc/00/68/95/631006895.db2.gz BCDKKKYKLCAKJO-CYBMUJFWSA-N 0 0 276.332 2.580 20 10 CFCDRN O=C(OCc1nnc(C2CC2)s1)C1=CC(=O)CS1 ZINC000837514199 631052141 /nfs/dbraw/zinc/05/21/41/631052141.db2.gz LPKWCDOQQFORNA-UHFFFAOYSA-N 0 0 282.346 2.540 20 10 CFCDRN C[C@@H](NC(=O)[C@@]1(C)CCCCO1)c1ccc(N(C)C)cc1 ZINC000837543369 631061520 /nfs/dbraw/zinc/06/15/20/631061520.db2.gz VAKKQDCMUIYHBK-CXAGYDPISA-N 0 0 290.407 2.889 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)CC(F)(F)F)c(O)c1 ZINC000837592113 631079320 /nfs/dbraw/zinc/07/93/20/631079320.db2.gz JWBLPBUUAMAZMS-MRVPVSSYSA-N 0 0 291.269 2.606 20 10 CFCDRN CCCN1CC(=O)N[C@@H]1c1ccc(N(CC)CC)c(F)c1 ZINC000840825150 631232160 /nfs/dbraw/zinc/23/21/60/631232160.db2.gz UHHIPGHIZCIEIM-INIZCTEOSA-N 0 0 293.386 2.512 20 10 CFCDRN COc1nnc(NCc2c(O)cc(C)cc2Cl)s1 ZINC000840884865 631250597 /nfs/dbraw/zinc/25/05/97/631250597.db2.gz RTEGGFZARVJJDC-UHFFFAOYSA-N 0 0 285.756 2.826 20 10 CFCDRN CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840909273 631259227 /nfs/dbraw/zinc/25/92/27/631259227.db2.gz FSTHMMZMMYNJLV-MRXNPFEDSA-N 0 0 262.397 2.672 20 10 CFCDRN Oc1cc2c(cc1CNc1cccc(F)c1)OCO2 ZINC000042879227 650001903 /nfs/dbraw/zinc/00/19/03/650001903.db2.gz SBKALCXDTBAWDZ-UHFFFAOYSA-N 0 0 261.252 2.872 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000809693035 631265754 /nfs/dbraw/zinc/26/57/54/631265754.db2.gz MOJCMTXCMPDNRX-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(F)ccc1O ZINC000809696129 631267138 /nfs/dbraw/zinc/26/71/38/631267138.db2.gz CLWSJIFBPLUODX-UFBFGSQYSA-N 0 0 293.260 2.683 20 10 CFCDRN C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809706310 631267592 /nfs/dbraw/zinc/26/75/92/631267592.db2.gz UCALCZCRNLBDJF-VHSXEESVSA-N 0 0 287.762 2.947 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCCc2n[nH]cc21 ZINC000840940768 631271493 /nfs/dbraw/zinc/27/14/93/631271493.db2.gz KWQYLQYAGCXMPY-UHFFFAOYSA-N 0 0 270.380 2.737 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1CC(F)F ZINC000840947472 631277739 /nfs/dbraw/zinc/27/77/39/631277739.db2.gz UUJIUHDIFGAHLT-HNNXBMFYSA-N 0 0 298.377 2.917 20 10 CFCDRN Cc1cc(O)c(CN(CC(F)F)C[C@@H](C)O)c(Cl)c1 ZINC000840950360 631278553 /nfs/dbraw/zinc/27/85/53/631278553.db2.gz JGMMLTQAYFRNJA-SECBINFHSA-N 0 0 293.741 2.802 20 10 CFCDRN COCC1(C)C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840953809 631280623 /nfs/dbraw/zinc/28/06/23/631280623.db2.gz ZNHLPFIEKGLNMU-UHFFFAOYSA-N 0 0 269.772 2.822 20 10 CFCDRN Cc1cccc(CNc2ccc(C3(O)COC3)cc2)c1O ZINC000809781313 631288002 /nfs/dbraw/zinc/28/80/02/631288002.db2.gz PVOJNYHDPJPJBE-UHFFFAOYSA-N 0 0 285.343 2.531 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)c1csnn1 ZINC000840969740 631289310 /nfs/dbraw/zinc/28/93/10/631289310.db2.gz JSXYXKVOGVEZKZ-LLVKDONJSA-N 0 0 276.409 2.763 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840976046 631291457 /nfs/dbraw/zinc/29/14/57/631291457.db2.gz BCUOSKFPHGKGQK-SKDRFNHKSA-N 0 0 287.762 2.825 20 10 CFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000840998745 631298529 /nfs/dbraw/zinc/29/85/29/631298529.db2.gz RERRAGOWHBZMCL-LAQIPUCWSA-N 0 0 288.391 2.562 20 10 CFCDRN COc1cccc(C(=O)CSc2nccs2)n1 ZINC000809956028 631304669 /nfs/dbraw/zinc/30/46/69/631304669.db2.gz AQURZSHTAWMBCZ-UHFFFAOYSA-N 0 0 266.347 2.522 20 10 CFCDRN COc1ccc(NCc2ccc(N(C)C)cc2)cc1N ZINC000841041279 631317583 /nfs/dbraw/zinc/31/75/83/631317583.db2.gz ZTWXVUAMKLPVOC-UHFFFAOYSA-N 0 0 271.364 2.956 20 10 CFCDRN C[C@@H](NC(=O)OC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000810065185 631321788 /nfs/dbraw/zinc/32/17/88/631321788.db2.gz LQFPEBJPKWADGF-GFCCVEGCSA-N 0 0 292.379 2.719 20 10 CFCDRN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000810245326 631350032 /nfs/dbraw/zinc/35/00/32/631350032.db2.gz YYDNFQFALKJNFB-RYUDHWBXSA-N 0 0 295.383 2.680 20 10 CFCDRN COC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000841295915 631376407 /nfs/dbraw/zinc/37/64/07/631376407.db2.gz JQFVJFDEFBUKRY-UHFFFAOYSA-N 0 0 277.368 2.740 20 10 CFCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841297439 631376984 /nfs/dbraw/zinc/37/69/84/631376984.db2.gz FCWSQLZNBXYOEJ-ZIAGYGMSSA-N 0 0 277.368 2.738 20 10 CFCDRN CO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841297166 631377407 /nfs/dbraw/zinc/37/74/07/631377407.db2.gz BFHHXXAVSXXJLW-KBPBESRZSA-N 0 0 289.379 2.690 20 10 CFCDRN CC(C)(C)CN(CCCO)C(=O)Nc1ccc(N)cc1 ZINC000841300491 631378242 /nfs/dbraw/zinc/37/82/42/631378242.db2.gz QKDRJJQZIUCDLS-UHFFFAOYSA-N 0 0 279.384 2.531 20 10 CFCDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCC2 ZINC000841300145 631378375 /nfs/dbraw/zinc/37/83/75/631378375.db2.gz OLTVGDFIJPXCHA-ZIAGYGMSSA-N 0 0 289.379 2.738 20 10 CFCDRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Nc1ccc(N)cc1 ZINC000841301012 631378943 /nfs/dbraw/zinc/37/89/43/631378943.db2.gz ZJKHYHFHSLIMRE-HNNXBMFYSA-N 0 0 297.362 2.566 20 10 CFCDRN C[C@@H]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841732515 631461791 /nfs/dbraw/zinc/46/17/91/631461791.db2.gz ULJDRKFUPFPCFJ-HIFRSBDPSA-N 0 0 289.423 2.937 20 10 CFCDRN Nc1ccc(CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000841737175 631462613 /nfs/dbraw/zinc/46/26/13/631462613.db2.gz CUWPUPSXKWKWGY-SJORKVTESA-N 0 0 295.386 2.667 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841744221 631463670 /nfs/dbraw/zinc/46/36/70/631463670.db2.gz GGSKYDHNFYRBGD-CMPLNLGQSA-N 0 0 268.788 2.790 20 10 CFCDRN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841749473 631464255 /nfs/dbraw/zinc/46/42/55/631464255.db2.gz FDOSIDROSCDKKA-SNVBAGLBSA-N 0 0 298.814 2.859 20 10 CFCDRN C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(Cl)cc1[O-] ZINC000841753809 631466734 /nfs/dbraw/zinc/46/67/34/631466734.db2.gz WTUDNIVAKYUUMP-GRZMOONWSA-N 0 0 269.772 2.857 20 10 CFCDRN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755501 631466772 /nfs/dbraw/zinc/46/67/72/631466772.db2.gz HWDQFNAVBQOWRN-JRPNMDOOSA-N 0 0 299.798 2.748 20 10 CFCDRN CC(C)C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000841816664 631475349 /nfs/dbraw/zinc/47/53/49/631475349.db2.gz QQQGZQPYZHOWNP-AWEZNQCLSA-N 0 0 278.396 2.589 20 10 CFCDRN COc1ccc(C[NH2+]C(C)(C)C[C@@H](C)C(=O)[O-])cc1C ZINC000841815810 631475628 /nfs/dbraw/zinc/47/56/28/631475628.db2.gz LGRQBGRVODBJDO-GFCCVEGCSA-N 0 0 279.380 2.983 20 10 CFCDRN C[C@H]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841889308 631487999 /nfs/dbraw/zinc/48/79/99/631487999.db2.gz BCXGYUXTCPFTMX-JSGCOSHPSA-N 0 0 275.396 2.547 20 10 CFCDRN Nc1ccc(CCNC(=O)NC[C@H]2CCCC2(F)F)cc1 ZINC000841910858 631493231 /nfs/dbraw/zinc/49/32/31/631493231.db2.gz OZVZGZIBLSCIQA-GFCCVEGCSA-N 0 0 297.349 2.546 20 10 CFCDRN C[C@@H]1CC[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841957481 631496433 /nfs/dbraw/zinc/49/64/33/631496433.db2.gz KLWPEEKBWIKYRV-CHWSQXEVSA-N 0 0 275.396 2.641 20 10 CFCDRN CC[C@H]1C[C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841956999 631496513 /nfs/dbraw/zinc/49/65/13/631496513.db2.gz DCVLHNYXKJWJBP-DOMZBBRYSA-N 0 0 275.396 2.641 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841960059 631496534 /nfs/dbraw/zinc/49/65/34/631496534.db2.gz TVHWZAIARNGXQX-MGPQQGTHSA-N 0 0 289.423 2.887 20 10 CFCDRN CC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841962766 631497604 /nfs/dbraw/zinc/49/76/04/631497604.db2.gz RLWUZRYNCGYRNJ-CYBMUJFWSA-N 0 0 275.396 2.643 20 10 CFCDRN Cc1ncccc1COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000811156234 631526099 /nfs/dbraw/zinc/52/60/99/631526099.db2.gz JOTWTTBEZXECQO-ALCCZGGFSA-N 0 0 285.299 2.558 20 10 CFCDRN CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(C)C ZINC000842086350 631532153 /nfs/dbraw/zinc/53/21/53/631532153.db2.gz BTNRZCXUFBZYOM-VGVVRCBHSA-N 0 0 294.347 2.715 20 10 CFCDRN CC[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC ZINC000842149954 631553810 /nfs/dbraw/zinc/55/38/10/631553810.db2.gz HYYPMRUEJWGCCJ-GFCCVEGCSA-N 0 0 283.368 2.574 20 10 CFCDRN COc1cccc(CN2CCC(=O)Nc3ccccc32)c1O ZINC000811508344 631573472 /nfs/dbraw/zinc/57/34/72/631573472.db2.gz MPJALZZLOKDWQU-UHFFFAOYSA-N 0 0 298.342 2.750 20 10 CFCDRN Cc1ccc2c(c1)/C(=C\c1cccnc1)C(=O)N2C ZINC000811700369 631608929 /nfs/dbraw/zinc/60/89/29/631608929.db2.gz KSUVQUCGEBFAPQ-NTEUORMPSA-N 0 0 250.301 2.907 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)C ZINC000840237113 631611962 /nfs/dbraw/zinc/61/19/62/631611962.db2.gz GJBARIFZWOAFGN-CYBMUJFWSA-N 0 0 277.412 2.700 20 10 CFCDRN CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000811905314 631639111 /nfs/dbraw/zinc/63/91/11/631639111.db2.gz AVKNDALLYKHYKA-AGIUHOORSA-N 0 0 293.411 2.536 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000104815024 631663029 /nfs/dbraw/zinc/66/30/29/631663029.db2.gz JUYZOJRKPASURW-SUNKGSAMSA-N 0 0 292.379 2.950 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1CC1 ZINC000840249089 631686717 /nfs/dbraw/zinc/68/67/17/631686717.db2.gz KGEUUZQOSTYDPW-ZDUSSCGKSA-N 0 0 289.423 2.701 20 10 CFCDRN Cn1nnc2cc(N[C@@H]3CCc4cccc(O)c43)ccc21 ZINC000842902411 631779672 /nfs/dbraw/zinc/77/96/72/631779672.db2.gz VCFVGSQWBMXNBY-GFCCVEGCSA-N 0 0 280.331 2.773 20 10 CFCDRN CCC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843057625 631820106 /nfs/dbraw/zinc/82/01/06/631820106.db2.gz FXAHJDHOAWFTQF-GFCCVEGCSA-N 0 0 286.778 2.759 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CC(C4CC4)C3)ccc21 ZINC000813051702 631821217 /nfs/dbraw/zinc/82/12/17/631821217.db2.gz RLCOGAXGUVHRJQ-UHFFFAOYSA-N 0 0 299.418 2.620 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123152 631842543 /nfs/dbraw/zinc/84/25/43/631842543.db2.gz HVSHDLFEPGEBHX-HNNXBMFYSA-N 0 0 298.789 2.760 20 10 CFCDRN COc1ccc(O)c(CN2CCNc3ccccc32)c1 ZINC000843124702 631843058 /nfs/dbraw/zinc/84/30/58/631843058.db2.gz KEQACOAIQFZBDQ-UHFFFAOYSA-N 0 0 270.332 2.833 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccccc2C(C)=O)c1 ZINC000155953331 650038677 /nfs/dbraw/zinc/03/86/77/650038677.db2.gz UOLLFANXSQPCAV-UHFFFAOYSA-N 0 0 299.326 2.533 20 10 CFCDRN Nc1ccc(Cc2noc(-c3ccnc(C4CC4)n3)n2)cc1 ZINC000843159455 631871527 /nfs/dbraw/zinc/87/15/27/631871527.db2.gz PUKJEKMSFNYALZ-UHFFFAOYSA-N 0 0 293.330 2.577 20 10 CFCDRN CCCCOCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160120 631871650 /nfs/dbraw/zinc/87/16/50/631871650.db2.gz VUFRXFBUZYKKSJ-UHFFFAOYSA-N 0 0 261.325 2.559 20 10 CFCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000843256698 631912448 /nfs/dbraw/zinc/91/24/48/631912448.db2.gz IDTFKTDDTKVVRZ-GXTWGEPZSA-N 0 0 260.381 2.957 20 10 CFCDRN Cc1ccc(C(=O)NC2(C(F)F)CCCC2)c(O)c1O ZINC000813886279 631972507 /nfs/dbraw/zinc/97/25/07/631972507.db2.gz ALGAOHBSNVATSV-UHFFFAOYSA-N 0 0 285.290 2.714 20 10 CFCDRN CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179616 632024964 /nfs/dbraw/zinc/02/49/64/632024964.db2.gz WIUOVNMIKMROLB-SNVBAGLBSA-N 0 0 270.716 2.938 20 10 CFCDRN C[C@@H](NC(=S)NC1CCC1)c1ccc(N(C)C)cc1 ZINC000814201663 632035924 /nfs/dbraw/zinc/03/59/24/632035924.db2.gz NJZKBWCWYNQJMM-LLVKDONJSA-N 0 0 277.437 2.830 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC2(CCC2)C1 ZINC000843851254 632066900 /nfs/dbraw/zinc/06/69/00/632066900.db2.gz MAZPNARMCFXZDA-NSHDSACASA-N 0 0 289.375 2.725 20 10 CFCDRN COc1ccc(CNC(=O)/C=C\C2CCCC2)c(O)c1 ZINC000843875029 632069889 /nfs/dbraw/zinc/06/98/89/632069889.db2.gz VNAPPFKSDKYATD-TWGQIWQCSA-N 0 0 275.348 2.763 20 10 CFCDRN CC1(CC(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000844006655 632094287 /nfs/dbraw/zinc/09/42/87/632094287.db2.gz FZXRSVVIKKJCCJ-HWKANZROSA-N 0 0 297.301 2.615 20 10 CFCDRN CC1(C)[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1(F)F ZINC000856068258 635714832 /nfs/dbraw/zinc/71/48/32/635714832.db2.gz LZZPWDVHADPTMT-FUEXJSSKSA-N 0 0 297.301 2.519 20 10 CFCDRN CN(C)c1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 ZINC000814761214 632119358 /nfs/dbraw/zinc/11/93/58/632119358.db2.gz IDRXSZJLKASPKQ-UHFFFAOYSA-N 0 0 286.335 2.783 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)NC(C)(C)C)cc1 ZINC000844282453 632155193 /nfs/dbraw/zinc/15/51/93/632155193.db2.gz URRHONWXZZUBEA-UHFFFAOYSA-N 0 0 293.411 2.571 20 10 CFCDRN COc1ccc(N(C)CC[S@@](=O)c2ccccc2)cc1 ZINC000844353245 632177651 /nfs/dbraw/zinc/17/76/51/632177651.db2.gz ITCVOTARRQRBDL-HXUWFJFHSA-N 0 0 289.400 2.939 20 10 CFCDRN COc1ccc(N(C)CC(=O)N(CC(C)C)C2CC2)cc1 ZINC000844353142 632177901 /nfs/dbraw/zinc/17/79/01/632177901.db2.gz PCBBNCHADWXNOL-UHFFFAOYSA-N 0 0 290.407 2.778 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCCCC2)cc1 ZINC000844353315 632177992 /nfs/dbraw/zinc/17/79/92/632177992.db2.gz MJMFDGOLCWDLPB-UHFFFAOYSA-N 0 0 276.380 2.534 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C3CC3)no2)cc1 ZINC000844353445 632178034 /nfs/dbraw/zinc/17/80/34/632178034.db2.gz NXIUWYGDRRQYPX-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN COc1ccc(N(C)Cc2nc(C(F)F)no2)cc1 ZINC000844355779 632178145 /nfs/dbraw/zinc/17/81/45/632178145.db2.gz SVKLGHPWFSFWKD-UHFFFAOYSA-N 0 0 269.251 2.652 20 10 CFCDRN COc1ccc(N(C)Cc2nn(C)cc2Cl)cc1 ZINC000844357124 632178523 /nfs/dbraw/zinc/17/85/23/632178523.db2.gz ZZNMFLBXCLPABE-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN Cc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815062213 632193814 /nfs/dbraw/zinc/19/38/14/632193814.db2.gz PPLNAWJOFBNOSY-ZIAGYGMSSA-N 0 0 262.397 2.670 20 10 CFCDRN Cc1cc(CN2CCOCC(F)(F)C2)ccc1N(C)C ZINC000815120352 632206851 /nfs/dbraw/zinc/20/68/51/632206851.db2.gz PZLPRIIEPYATCF-UHFFFAOYSA-N 0 0 284.350 2.529 20 10 CFCDRN Cc1ccc(C(=O)O[C@H]2CC[C@H](C)C2)c(O)c1O ZINC000815199011 632227641 /nfs/dbraw/zinc/22/76/41/632227641.db2.gz CUVUBLGFDNGJBM-WPRPVWTQSA-N 0 0 250.294 2.752 20 10 CFCDRN CC(C)(CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1 ZINC000815469235 632278198 /nfs/dbraw/zinc/27/81/98/632278198.db2.gz CPRSSYKGKINVBZ-UHFFFAOYSA-N 0 0 292.331 2.650 20 10 CFCDRN Cc1nc(C(=O)NCCCSc2nccs2)c(C)o1 ZINC000815590583 632292943 /nfs/dbraw/zinc/29/29/43/632292943.db2.gz AULYFYCKPGGUSX-UHFFFAOYSA-N 0 0 297.405 2.660 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)CC2(C)CC2)cc1 ZINC000844855909 632324034 /nfs/dbraw/zinc/32/40/34/632324034.db2.gz JCRMLJFOCNLSIU-UHFFFAOYSA-N 0 0 290.407 2.780 20 10 CFCDRN COc1cccc(CNC(=O)c2cccc3c2CCC3)c1O ZINC000105649601 632325256 /nfs/dbraw/zinc/32/52/56/632325256.db2.gz PADSFQXLLBIUDQ-UHFFFAOYSA-N 0 0 297.354 2.820 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2c(c1)CCCC2=O ZINC000815833606 632325216 /nfs/dbraw/zinc/32/52/16/632325216.db2.gz WGZCNUGIJLLJGY-UHFFFAOYSA-N 0 0 295.338 2.841 20 10 CFCDRN COc1ccc(C(=O)NCc2ccccc2O)cc1Cl ZINC000815833523 632325286 /nfs/dbraw/zinc/32/52/86/632325286.db2.gz REMVSNDNKGLGOA-UHFFFAOYSA-N 0 0 291.734 2.984 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CC(C)(C)C2CC2)c1 ZINC000815834936 632325371 /nfs/dbraw/zinc/32/53/71/632325371.db2.gz FWDBGYRQFMPLLL-UHFFFAOYSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1cccc(CNC(=O)c2cc(F)ccc2F)c1O ZINC000105652513 632325842 /nfs/dbraw/zinc/32/58/42/632325842.db2.gz XJYPIQSWZRIEPR-UHFFFAOYSA-N 0 0 293.269 2.609 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844904957 632331712 /nfs/dbraw/zinc/33/17/12/632331712.db2.gz FVDFSBJAJRKPAD-ZDUSSCGKSA-N 0 0 272.323 2.658 20 10 CFCDRN C[C@H](F)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000845221864 632387764 /nfs/dbraw/zinc/38/77/64/632387764.db2.gz SXOQVSKICWLACU-QMMMGPOBSA-N 0 0 274.723 2.593 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+](CCCCO)C1CC1 ZINC000816509970 632475121 /nfs/dbraw/zinc/47/51/21/632475121.db2.gz IPGOIPQXRFLCKY-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CC[C@@H](COC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553010 632483373 /nfs/dbraw/zinc/48/33/73/632483373.db2.gz FKGLMNMCZLTMRT-VIFPVBQESA-N 0 0 261.724 2.699 20 10 CFCDRN C[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCOC1 ZINC000816564312 632485488 /nfs/dbraw/zinc/48/54/88/632485488.db2.gz AVAXYAOTDUBTDM-CYBMUJFWSA-N 0 0 273.735 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000816563039 632485517 /nfs/dbraw/zinc/48/55/17/632485517.db2.gz HXPLLQLMQWGXMC-UHFFFAOYSA-N 0 0 273.735 2.579 20 10 CFCDRN CCOC(=O)[C@@H](C)NCc1ccc2ccccc2c1O ZINC000816589886 632490333 /nfs/dbraw/zinc/49/03/33/632490333.db2.gz LJHCCQQSFWZOTE-LLVKDONJSA-N 0 0 273.332 2.587 20 10 CFCDRN Oc1c(CN2CCn3cncc3C2)ccc2ccccc21 ZINC000816616525 632496186 /nfs/dbraw/zinc/49/61/86/632496186.db2.gz YVFAQROOQOPUNN-UHFFFAOYSA-N 0 0 279.343 2.758 20 10 CFCDRN Cc1cccc(CNCc2ncn(-c3ccccc3)n2)c1O ZINC000816664683 632508415 /nfs/dbraw/zinc/50/84/15/632508415.db2.gz ARXPQMFRWSKZAQ-UHFFFAOYSA-N 0 0 294.358 2.571 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccncc1Cl ZINC000816888962 632531587 /nfs/dbraw/zinc/53/15/87/632531587.db2.gz GPIPWCQHGVHOSV-UHFFFAOYSA-N 0 0 290.750 2.642 20 10 CFCDRN Cc1ccoc1CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000817026748 632547058 /nfs/dbraw/zinc/54/70/58/632547058.db2.gz RNHTUIUQLHGURF-XQRVVYSFSA-N 0 0 287.315 2.671 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)c1O ZINC000845833996 632577697 /nfs/dbraw/zinc/57/76/97/632577697.db2.gz PICDPKOFTVWYAS-KBPBESRZSA-N 0 0 289.375 2.843 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)N(C)C(C)C)cc1 ZINC000845987978 632609160 /nfs/dbraw/zinc/60/91/60/632609160.db2.gz QOXBYJQGRLNNRE-UHFFFAOYSA-N 0 0 293.411 2.523 20 10 CFCDRN CCn1cc(/C=C2\c3cccc4c3N(CCC4)C2=O)cn1 ZINC000817346597 632610516 /nfs/dbraw/zinc/61/05/16/632610516.db2.gz VSGKBHLRAWWPSJ-OQLLNIDSSA-N 0 0 279.343 2.736 20 10 CFCDRN CCc1nn(C)cc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000817345342 632610854 /nfs/dbraw/zinc/61/08/54/632610854.db2.gz IHNLANARUJHPBW-XNTDXEJSSA-N 0 0 293.370 2.816 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846008904 632611665 /nfs/dbraw/zinc/61/16/65/632611665.db2.gz SXSOMCRYKVEQOB-UHFFFAOYSA-N 0 0 299.773 2.922 20 10 CFCDRN Cc1c2cc(OCC3OCCO3)ccc2n(C)c1C ZINC000817380248 632618275 /nfs/dbraw/zinc/61/82/75/632618275.db2.gz QPGCLMKTIPSXBI-UHFFFAOYSA-N 0 0 261.321 2.547 20 10 CFCDRN OCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817382740 632618293 /nfs/dbraw/zinc/61/82/93/632618293.db2.gz ZATYLWYQMNUZKD-UHFFFAOYSA-N 0 0 255.745 2.701 20 10 CFCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000817414465 632625412 /nfs/dbraw/zinc/62/54/12/632625412.db2.gz LJEIQWZJPHUVFA-BDAKNGLRSA-N 0 0 273.735 2.530 20 10 CFCDRN CN(C)c1ccc(CN2CCC[C@@H](F)C2)cc1F ZINC000846121370 632640059 /nfs/dbraw/zinc/64/00/59/632640059.db2.gz YXVXWQZRSIRVKA-GFCCVEGCSA-N 0 0 254.324 2.826 20 10 CFCDRN COc1cccc([C@@H](C)NCc2cscn2)c1O ZINC000846141490 632644361 /nfs/dbraw/zinc/64/43/61/632644361.db2.gz KDFTZQKRYGJYPD-SECBINFHSA-N 0 0 264.350 2.708 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000846204510 632659964 /nfs/dbraw/zinc/65/99/64/632659964.db2.gz MJYLTDWZLOFMHP-WDEREUQCSA-N 0 0 294.351 2.766 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000846205006 632659996 /nfs/dbraw/zinc/65/99/96/632659996.db2.gz LYJNWLHVPVTMKI-FZMZJTMJSA-N 0 0 261.365 2.784 20 10 CFCDRN CCCc1[nH]ccc1C(=O)NCc1cc(OC)ccc1O ZINC000817550104 632661434 /nfs/dbraw/zinc/66/14/34/632661434.db2.gz RNYCYIONNSBVHB-UHFFFAOYSA-N 0 0 288.347 2.611 20 10 CFCDRN C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(Cl)cc1[O-] ZINC000846214862 632662797 /nfs/dbraw/zinc/66/27/97/632662797.db2.gz WZNVDIXEZFFTKA-XHDPSFHLSA-N 0 0 299.798 2.628 20 10 CFCDRN Cc1cc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)ccc1N(C)C ZINC000846276539 632680781 /nfs/dbraw/zinc/68/07/81/632680781.db2.gz VEXFMMRCCBRJJM-ZDUSSCGKSA-N 0 0 290.407 2.746 20 10 CFCDRN Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])ccc1N(C)C ZINC000846274520 632680970 /nfs/dbraw/zinc/68/09/70/632680970.db2.gz LWENTUHCSQRWOD-AWEZNQCLSA-N 0 0 276.380 2.500 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)C1CC(OC(C)(C)C)C1 ZINC000817667357 632684325 /nfs/dbraw/zinc/68/43/25/632684325.db2.gz BQNABHRMJFLRLO-UHFFFAOYSA-N 0 0 293.363 2.516 20 10 CFCDRN CCc1cc(NCc2ccc(N(C)C)c(F)c2)nn1C ZINC000817709411 632688841 /nfs/dbraw/zinc/68/88/41/632688841.db2.gz XAURTOJGKGKMRI-UHFFFAOYSA-N 0 0 276.359 2.800 20 10 CFCDRN COC1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846473916 632715140 /nfs/dbraw/zinc/71/51/40/632715140.db2.gz OJDCFUGTQHFJAO-UHFFFAOYSA-N 0 0 297.782 2.867 20 10 CFCDRN CCC1(C(=O)NCc2cc(Cl)ccc2O)CCOCC1 ZINC000846473976 632715228 /nfs/dbraw/zinc/71/52/28/632715228.db2.gz PGSGCYUNESDBMT-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN CC1(C)C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474946 632716748 /nfs/dbraw/zinc/71/67/48/632716748.db2.gz CYZMCIIAOAENNC-JTQLQIEISA-N 0 0 253.729 2.708 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)c1ocnc1C1CC1 ZINC000846476528 632717128 /nfs/dbraw/zinc/71/71/28/632717128.db2.gz NFIIXYRLBKOWRE-UHFFFAOYSA-N 0 0 292.722 2.841 20 10 CFCDRN O=C(COCC1CCCC1)NCc1cc(Cl)ccc1O ZINC000846476868 632717398 /nfs/dbraw/zinc/71/73/98/632717398.db2.gz PEJIQRVIZGKLTM-UHFFFAOYSA-N 0 0 297.782 2.869 20 10 CFCDRN O=C(/C=C/C1CCOCC1)NCc1cc(Cl)ccc1O ZINC000846477456 632717429 /nfs/dbraw/zinc/71/74/29/632717429.db2.gz UEEUCGXIGKJONG-DAFODLJHSA-N 0 0 295.766 2.645 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCCNC1)c1cccc(Cl)c1[O-] ZINC000817940737 632744269 /nfs/dbraw/zinc/74/42/69/632744269.db2.gz KHOCFLAEJFIEOT-GWCFXTLKSA-N 0 0 268.788 2.838 20 10 CFCDRN COc1ccc(N(C)Cc2cnsn2)cc1Cl ZINC000846814286 632808285 /nfs/dbraw/zinc/80/82/85/632808285.db2.gz AOGNIBVRDFYZAS-UHFFFAOYSA-N 0 0 269.757 2.837 20 10 CFCDRN Cc1cc(C(=O)NCC(C)(F)F)c(C)n1-c1ccccn1 ZINC000818256485 632819973 /nfs/dbraw/zinc/81/99/73/632819973.db2.gz APTVOQGPISSEOM-UHFFFAOYSA-N 0 0 293.317 2.874 20 10 CFCDRN CC(C)Oc1ccc(N(C)Cc2cnsn2)cc1 ZINC000846873176 632828222 /nfs/dbraw/zinc/82/82/22/632828222.db2.gz BMSVDGQMGIEIFV-UHFFFAOYSA-N 0 0 263.366 2.962 20 10 CFCDRN CN(C)c1ccc(/C=C\C[NH2+]CCC(C)(C)C(=O)[O-])cc1 ZINC000818630432 632884636 /nfs/dbraw/zinc/88/46/36/632884636.db2.gz CEWMLTQRFFQKKQ-WAYWQWQTSA-N 0 0 290.407 2.856 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C(=O)[O-] ZINC000818631592 632885372 /nfs/dbraw/zinc/88/53/72/632885372.db2.gz KDRXXAHJKKZZJC-XHDPSFHLSA-N 0 0 294.370 2.577 20 10 CFCDRN CC(C)[C@@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000819164184 632992568 /nfs/dbraw/zinc/99/25/68/632992568.db2.gz PSJZEAWMCXMCBS-IUODEOHRSA-N 0 0 278.396 2.588 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000819398345 633147576 /nfs/dbraw/zinc/14/75/76/633147576.db2.gz LEVKDXAHXMCXSV-SMDDNHRTSA-N 0 0 277.364 2.843 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(F)=C2CCC2)c1 ZINC000819399257 633149054 /nfs/dbraw/zinc/14/90/54/633149054.db2.gz SXXANTJQASKPQW-VIFPVBQESA-N 0 0 279.311 2.986 20 10 CFCDRN CCCCOc1ccccc1NC[C@H](O)COCC ZINC000819420573 633155883 /nfs/dbraw/zinc/15/58/83/633155883.db2.gz QSRLGCGRNAJPDG-ZDUSSCGKSA-N 0 0 267.369 2.675 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)=C1CCC1 ZINC000819483458 633177792 /nfs/dbraw/zinc/17/77/92/633177792.db2.gz BAAOJBHKJHVPNG-VIFPVBQESA-N 0 0 279.311 2.553 20 10 CFCDRN C[C@H](NC(=O)/C=C/[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000819501775 633187200 /nfs/dbraw/zinc/18/72/00/633187200.db2.gz KWGLPAOOEQHSKR-ATZMKFKVSA-N 0 0 288.391 2.665 20 10 CFCDRN COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000848560946 633289719 /nfs/dbraw/zinc/28/97/19/633289719.db2.gz NJMZAPRWZXPEBT-SECBINFHSA-N 0 0 271.307 2.748 20 10 CFCDRN CC(C)[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000848639729 633305895 /nfs/dbraw/zinc/30/58/95/633305895.db2.gz KJHOOOYIXGKMON-SQRWCISFSA-N 0 0 290.407 2.712 20 10 CFCDRN CCc1cccc(CN(C)Cc2cc(C)on2)c1O ZINC000848881861 633358517 /nfs/dbraw/zinc/35/85/17/633358517.db2.gz IRRGMVMRCZDVGR-UHFFFAOYSA-N 0 0 260.337 2.883 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1cccc(CC)c1O ZINC000848883950 633360130 /nfs/dbraw/zinc/36/01/30/633360130.db2.gz VTKJBIMKHVXGDP-UHFFFAOYSA-N 0 0 279.380 2.730 20 10 CFCDRN CCc1cccc(CNc2ccc3c(c2)C(=O)NCC3)c1O ZINC000848901605 633389441 /nfs/dbraw/zinc/38/94/41/633389441.db2.gz XMRWHPGNQJVYOD-UHFFFAOYSA-N 0 0 296.370 2.853 20 10 CFCDRN CCCC[C@H](NCc1cccc(CC)c1O)C(=O)OC ZINC000848903297 633391142 /nfs/dbraw/zinc/39/11/42/633391142.db2.gz PHYJUNNIJXOBEZ-AWEZNQCLSA-N 0 0 279.380 2.776 20 10 CFCDRN CC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582067 633393451 /nfs/dbraw/zinc/39/34/51/633393451.db2.gz DCZULUZUFGGQGB-KBPBESRZSA-N 0 0 290.407 2.684 20 10 CFCDRN CC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582072 633394739 /nfs/dbraw/zinc/39/47/39/633394739.db2.gz DCZULUZUFGGQGB-ZIAGYGMSSA-N 0 0 290.407 2.684 20 10 CFCDRN CCc1nc(CNCc2cccc(CC)c2O)co1 ZINC000848914242 633399221 /nfs/dbraw/zinc/39/92/21/633399221.db2.gz GCAUQHFCAGPADB-UHFFFAOYSA-N 0 0 260.337 2.795 20 10 CFCDRN CC(C)CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849028229 633468937 /nfs/dbraw/zinc/46/89/37/633468937.db2.gz FLUIPWDBKCJCPD-UHFFFAOYSA-N 0 0 290.194 2.969 20 10 CFCDRN CC1CCN(C(=[NH2+])NCc2cc(Cl)ccc2O)CC1 ZINC000849049725 633480742 /nfs/dbraw/zinc/48/07/42/633480742.db2.gz VIWWIFFIGHHKPT-UHFFFAOYSA-N 0 0 281.787 2.802 20 10 CFCDRN Cc1ccc2c(c1)/C(=C/c1cn(C3CCC3)nn1)C(=O)N2C ZINC000849249944 633591395 /nfs/dbraw/zinc/59/13/95/633591395.db2.gz NGUWWXJLHQCFFG-DHDCSXOGSA-N 0 0 294.358 2.829 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)NCC(F)F)C2CC2)cc1 ZINC000849332571 633620393 /nfs/dbraw/zinc/62/03/93/633620393.db2.gz FTTYZBNNKVOVRG-UHFFFAOYSA-N 0 0 297.349 2.692 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC1CC=CC1 ZINC000849745417 633700105 /nfs/dbraw/zinc/70/01/05/633700105.db2.gz RHLZACVJYOEMDO-SOFGYWHQSA-N 0 0 260.289 2.620 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)NC1CCCC1 ZINC000849997968 633786569 /nfs/dbraw/zinc/78/65/69/633786569.db2.gz IJEGRDBKWBEQOG-UHFFFAOYSA-N 0 0 276.814 2.947 20 10 CFCDRN C[C@H]1CN(CCSc2ncc(Cl)s2)CCO1 ZINC000850000234 633786904 /nfs/dbraw/zinc/78/69/04/633786904.db2.gz NJKIZMOPBYKYSA-QMMMGPOBSA-N 0 0 278.830 2.609 20 10 CFCDRN C[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ncnn21 ZINC000850352116 633950834 /nfs/dbraw/zinc/95/08/34/633950834.db2.gz MJOSBJGRESDQPN-BBRMVZONSA-N 0 0 297.406 2.674 20 10 CFCDRN CC[C@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850355069 633951491 /nfs/dbraw/zinc/95/14/91/633951491.db2.gz CRYCMOCMVBXRQE-JTQLQIEISA-N 0 0 252.314 2.826 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850481733 634012131 /nfs/dbraw/zinc/01/21/31/634012131.db2.gz JJSLKMWESQZFMS-SCZZXKLOSA-N 0 0 271.307 2.889 20 10 CFCDRN COC[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OC ZINC000850486011 634014609 /nfs/dbraw/zinc/01/46/09/634014609.db2.gz QJBBTVXKFJQUQG-CMPLNLGQSA-N 0 0 287.787 2.748 20 10 CFCDRN C[C@@H]([NH2+]C/C=C\CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000850509905 634024186 /nfs/dbraw/zinc/02/41/86/634024186.db2.gz SVIRFUVVTYRJKN-YAJNLLPGSA-N 0 0 276.163 2.898 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000850513363 634026143 /nfs/dbraw/zinc/02/61/43/634026143.db2.gz GPRVNUAPZPEAFG-FBIMIBRVSA-N 0 0 271.307 2.889 20 10 CFCDRN CCn1cc(CN[C@@H](C)c2cc(Cl)ccc2O)nn1 ZINC000850522139 634029819 /nfs/dbraw/zinc/02/98/19/634029819.db2.gz DSQUJYYMSYDAPL-VIFPVBQESA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(Cl)cc1[O-] ZINC000850545456 634045839 /nfs/dbraw/zinc/04/58/39/634045839.db2.gz GXWRGDQUEHGKAW-QCZZGDTMSA-N 0 0 281.783 3.000 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cncc(C)n1)c1ccc(F)cc1[O-] ZINC000850549286 634048708 /nfs/dbraw/zinc/04/87/08/634048708.db2.gz FJJGVEQLUDNYBF-OAHLLOKOSA-N 0 0 289.354 2.913 20 10 CFCDRN CC[C@H](NCc1ncccn1)c1ccc(C)cc1O ZINC000850551127 634050038 /nfs/dbraw/zinc/05/00/38/634050038.db2.gz FEZJNTPYBNDTCH-ZDUSSCGKSA-N 0 0 257.337 2.732 20 10 CFCDRN Cc1ccc([C@@H](C)NCc2ncccn2)c(O)c1C ZINC000850552498 634051339 /nfs/dbraw/zinc/05/13/39/634051339.db2.gz NQIQJOORAXUFRI-GFCCVEGCSA-N 0 0 257.337 2.650 20 10 CFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1nccn1C ZINC000850571980 634056665 /nfs/dbraw/zinc/05/66/65/634056665.db2.gz FXAZUCYWWPVFRQ-NXEZZACHSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(F)F ZINC000850751035 634078384 /nfs/dbraw/zinc/07/83/84/634078384.db2.gz SSHIFOVZJSEETR-GFCCVEGCSA-N 0 0 269.295 2.826 20 10 CFCDRN CCN(C)c1ccc(CN2CCO[C@](C)(C(F)F)C2)cc1 ZINC000852784960 634836481 /nfs/dbraw/zinc/83/64/81/634836481.db2.gz VOBIKTBQYUOFIQ-INIZCTEOSA-N 0 0 298.377 2.999 20 10 CFCDRN CC[C@@H]([NH2+]CCOCCF)c1ccc(F)cc1[O-] ZINC000853238741 634948647 /nfs/dbraw/zinc/94/86/47/634948647.db2.gz PNIBIXQCYWBLJK-GFCCVEGCSA-N 0 0 259.296 2.558 20 10 CFCDRN Cc1ccc(NCc2c(O)ccc3c2CCCC3)nn1 ZINC000853383385 634989716 /nfs/dbraw/zinc/98/97/16/634989716.db2.gz VNDRKLPSGMNRBY-UHFFFAOYSA-N 0 0 269.348 2.982 20 10 CFCDRN CCCN(Cc1ccccc1O)c1cnc(F)cn1 ZINC000853450779 635002976 /nfs/dbraw/zinc/00/29/76/635002976.db2.gz MNDJHMFSYOGVFZ-UHFFFAOYSA-N 0 0 261.300 2.738 20 10 CFCDRN CCc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)ncn1 ZINC000853759293 635097172 /nfs/dbraw/zinc/09/71/72/635097172.db2.gz RJMMQDUIEWMVBE-CQSZACIVSA-N 0 0 298.390 2.738 20 10 CFCDRN Nc1ccc(Cc2noc(C3CC4(CC4)C3)n2)cc1 ZINC000854133427 635222278 /nfs/dbraw/zinc/22/22/78/635222278.db2.gz BFZBUZFSGCMRNY-UHFFFAOYSA-N 0 0 255.321 2.900 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000854244213 635270608 /nfs/dbraw/zinc/27/06/08/635270608.db2.gz VEXPLCVCYPDJBH-ZDUSSCGKSA-N 0 0 279.380 2.927 20 10 CFCDRN CCOc1ccc(O)c(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC000854244060 635270615 /nfs/dbraw/zinc/27/06/15/635270615.db2.gz NTCFVXZNSJTYOG-UHFFFAOYSA-N 0 0 295.379 2.724 20 10 CFCDRN COc1cccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1O ZINC000854243956 635270773 /nfs/dbraw/zinc/27/07/73/635270773.db2.gz JDCCCVKQHPVYTP-LBPRGKRZSA-N 0 0 295.379 2.627 20 10 CFCDRN CC(C)C[C@H](C[NH2+]Cc1ccccc1O)CC(=O)[O-] ZINC000854243980 635270805 /nfs/dbraw/zinc/27/08/05/635270805.db2.gz KBUMBNFHOBFSQI-LBPRGKRZSA-N 0 0 265.353 2.619 20 10 CFCDRN O=C([O-])[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CCC1 ZINC000854248538 635271902 /nfs/dbraw/zinc/27/19/02/635271902.db2.gz XIYVLSAWXOMHAN-GFCCVEGCSA-N 0 0 283.755 2.636 20 10 CFCDRN C/C=C(\CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223298 635489342 /nfs/dbraw/zinc/48/93/42/635489342.db2.gz FDYCFMFECVECGU-QJIMOZNHSA-N 0 0 288.391 2.746 20 10 CFCDRN C/C=C(/CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223300 635489793 /nfs/dbraw/zinc/48/97/93/635489793.db2.gz FDYCFMFECVECGU-YLIUPVCFSA-N 0 0 288.391 2.746 20 10 CFCDRN CC/C(C)=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223950 635490183 /nfs/dbraw/zinc/49/01/83/635490183.db2.gz JKPHRSNJCVIFAT-FZDNWWAKSA-N 0 0 288.391 2.746 20 10 CFCDRN CCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230631 635490389 /nfs/dbraw/zinc/49/03/89/635490389.db2.gz QQLLSRWXOSUKBV-CYBMUJFWSA-N 0 0 290.407 2.826 20 10 CFCDRN CC[C@H](C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855390249 635528744 /nfs/dbraw/zinc/52/87/44/635528744.db2.gz NCDXZWYKWDQHDD-XOIDGJRKSA-N 0 0 263.337 2.663 20 10 CFCDRN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)C1=CC(=O)CS1 ZINC000855773459 635639733 /nfs/dbraw/zinc/63/97/33/635639733.db2.gz NNWHOXHIPVCQOO-ATZCPNFKSA-N 0 0 251.351 2.620 20 10 CFCDRN C[C@@]1(CCNC(=O)C2=CC(=O)CS2)CC1(F)F ZINC000855807083 635657190 /nfs/dbraw/zinc/65/71/90/635657190.db2.gz QNQCMXWEEFHGIZ-SNVBAGLBSA-N 0 0 261.293 2.619 20 10 CFCDRN CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000855880699 635680680 /nfs/dbraw/zinc/68/06/80/635680680.db2.gz RDIXYWREQZGQBS-DXWDOBMASA-N 0 0 275.348 2.806 20 10 CFCDRN CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000855880816 635681829 /nfs/dbraw/zinc/68/18/29/635681829.db2.gz RHCYSOIKCIWHSC-OAHLLOKOSA-N 0 0 263.337 2.715 20 10 CFCDRN CCSC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000856065815 635714391 /nfs/dbraw/zinc/71/43/91/635714391.db2.gz ZZYCUVNXQALCMC-GQCTYLIASA-N 0 0 293.388 2.513 20 10 CFCDRN CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000856122111 635731601 /nfs/dbraw/zinc/73/16/01/635731601.db2.gz CLPZVVAMCJIBIN-FAOGRTBUSA-N 0 0 275.348 2.662 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CCc2ccsc2)c1 ZINC000114540680 635837197 /nfs/dbraw/zinc/83/71/97/635837197.db2.gz YMJOIELLVPCBSW-UHFFFAOYSA-N 0 0 291.372 2.711 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(C)ccc2C)c1 ZINC000114540733 635837670 /nfs/dbraw/zinc/83/76/70/635837670.db2.gz VQKJVOQYQBWBRD-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN 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ZINC000858145586 636138976 /nfs/dbraw/zinc/13/89/76/636138976.db2.gz YSJUJSFYZRHTKX-SNVBAGLBSA-N 0 0 294.349 2.615 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(CO)CCCC1 ZINC000158826262 650237885 /nfs/dbraw/zinc/23/78/85/650237885.db2.gz SJOMBSQOYNNHQP-UHFFFAOYSA-N 0 0 269.772 2.688 20 10 CFCDRN C/C=C/CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000858368311 636210594 /nfs/dbraw/zinc/21/05/94/636210594.db2.gz ILLJFSMUCOWRLV-FYJFLYSWSA-N 0 0 261.369 2.689 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000858377706 636213820 /nfs/dbraw/zinc/21/38/20/636213820.db2.gz BBFNSULCOMTYFF-DGCLKSJQSA-N 0 0 262.353 2.688 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCS2)c1 ZINC000858403241 636222999 /nfs/dbraw/zinc/22/29/99/636222999.db2.gz YNIBUIJYHLGSBW-CYBMUJFWSA-N 0 0 294.420 2.786 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@H](C)C2)c1 ZINC000858416305 636227930 /nfs/dbraw/zinc/22/79/30/636227930.db2.gz YRYNHGVDMHAIAX-WCQYABFASA-N 0 0 276.380 2.936 20 10 CFCDRN Cc1cc(CNC(=O)NCCF)c(C)n1-c1ccccc1 ZINC000858420988 636230351 /nfs/dbraw/zinc/23/03/51/636230351.db2.gz XSAZMXFSMXSZPK-UHFFFAOYSA-N 0 0 289.354 2.863 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2cnn(CC)n2)cc1 ZINC000858443296 636242437 /nfs/dbraw/zinc/24/24/37/636242437.db2.gz IWESQDFZDRSRKG-ZDUSSCGKSA-N 0 0 287.411 2.605 20 10 CFCDRN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000858471472 636258616 /nfs/dbraw/zinc/25/86/16/636258616.db2.gz TXHHVLDFYKRFJN-CABZTGNLSA-N 0 0 295.766 2.958 20 10 CFCDRN Cc1ccc(O)c(CNc2nncn2Cc2ccccc2)c1 ZINC000158964312 650243353 /nfs/dbraw/zinc/24/33/53/650243353.db2.gz LWVLXSQKOGKBSH-UHFFFAOYSA-N 0 0 294.358 2.953 20 10 CFCDRN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858502910 636273413 /nfs/dbraw/zinc/27/34/13/636273413.db2.gz RLYKXSKLPSHDAD-FZQKWOKYSA-N 0 0 280.324 2.519 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc(Cl)c1[O-] ZINC000858544399 636287262 /nfs/dbraw/zinc/28/72/62/636287262.db2.gz VIHGPNPKMQPCJG-CWSCBRNRSA-N 0 0 269.772 2.857 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C23CC(C2)C3)cc1 ZINC000858604619 636306990 /nfs/dbraw/zinc/30/69/90/636306990.db2.gz JQYDKDLJZFNSLZ-UHFFFAOYSA-N 0 0 272.392 2.949 20 10 CFCDRN CSc1ccsc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159140219 650248450 /nfs/dbraw/zinc/24/84/50/650248450.db2.gz ANMDJUMCNJIBOO-UHFFFAOYSA-N 0 0 295.385 2.811 20 10 CFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC(OC)C1 ZINC000858827090 636350995 /nfs/dbraw/zinc/35/09/95/636350995.db2.gz VPQTVHPLBIVRDI-UHFFFAOYSA-N 0 0 290.407 2.526 20 10 CFCDRN C/C=C/CNC(=O)NCc1cc(Br)ccc1O ZINC000858886518 636372100 /nfs/dbraw/zinc/37/21/00/636372100.db2.gz WSYUKGDMUWRLTQ-NSCUHMNNSA-N 0 0 299.168 2.530 20 10 CFCDRN CONC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858905372 636378378 /nfs/dbraw/zinc/37/83/78/636378378.db2.gz VKTGBQUZXKXEEA-UHFFFAOYSA-N 0 0 287.363 2.763 20 10 CFCDRN CN(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000194469063 636780178 /nfs/dbraw/zinc/78/01/78/636780178.db2.gz OPMMDKQRGCFOLS-UHFFFAOYSA-N 0 0 275.396 2.790 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)n1 ZINC000160076419 650292170 /nfs/dbraw/zinc/29/21/70/650292170.db2.gz GFCXEQAJPXPJJA-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)C1CC(OC)C1 ZINC000861561467 637208809 /nfs/dbraw/zinc/20/88/09/637208809.db2.gz HEOSSTJIMKJMAM-UHFFFAOYSA-N 0 0 291.391 2.946 20 10 CFCDRN CC[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862026071 637265827 /nfs/dbraw/zinc/26/58/27/637265827.db2.gz GFOOVMHSTWJDQC-LLVKDONJSA-N 0 0 272.348 2.993 20 10 CFCDRN CC(C)CCC(=O)NCc1ccc2cccnc2c1O ZINC000862028534 637266646 /nfs/dbraw/zinc/26/66/46/637266646.db2.gz CAPNNPHSJJIRBG-UHFFFAOYSA-N 0 0 272.348 2.993 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027717 637266710 /nfs/dbraw/zinc/26/67/10/637266710.db2.gz CUSXDPZGAWWZEH-SNVBAGLBSA-N 0 0 290.388 2.556 20 10 CFCDRN CS[C@@H](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862027517 637266722 /nfs/dbraw/zinc/26/67/22/637266722.db2.gz VPBGIHZCEQWOQD-JTQLQIEISA-N 0 0 290.388 2.698 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862027880 637266866 /nfs/dbraw/zinc/26/68/66/637266866.db2.gz IIRVQVHGMSJBCT-NSHDSACASA-N 0 0 284.359 2.993 20 10 CFCDRN CC(C)(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028916 637266979 /nfs/dbraw/zinc/26/69/79/637266979.db2.gz OWBDPOUJCXOIPY-UHFFFAOYSA-N 0 0 272.348 2.993 20 10 CFCDRN CCC[C@H](OCC)C(=O)NCc1cc(Cl)ccc1O ZINC000862131007 637278719 /nfs/dbraw/zinc/27/87/19/637278719.db2.gz QDBQYDSBESXJKZ-ZDUSSCGKSA-N 0 0 285.771 2.867 20 10 CFCDRN CC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000862215223 637288326 /nfs/dbraw/zinc/28/83/26/637288326.db2.gz FLBIOMNMAVWFTO-LBPRGKRZSA-N 0 0 284.350 2.642 20 10 CFCDRN COC[C@@]1(C)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862383044 637347819 /nfs/dbraw/zinc/34/78/19/637347819.db2.gz IMBQVKQGLSTORS-INIZCTEOSA-N 0 0 298.377 2.889 20 10 CFCDRN COCCC1(C)CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862389770 637351770 /nfs/dbraw/zinc/35/17/70/637351770.db2.gz OHGVQLCADBNJSV-UHFFFAOYSA-N 0 0 298.377 2.889 20 10 CFCDRN CCOc1ccc(O)c(Cn2cnc3c2CCCC3)c1 ZINC000862431480 637376191 /nfs/dbraw/zinc/37/61/91/637376191.db2.gz NPGVIOQWFGSIHF-UHFFFAOYSA-N 0 0 272.348 2.915 20 10 CFCDRN CCN(CC)c1ccc(CN2CC3(C2)CCCO3)cc1 ZINC000862483120 637398932 /nfs/dbraw/zinc/39/89/32/637398932.db2.gz GTKFAUSIWMTDRL-UHFFFAOYSA-N 0 0 274.408 2.898 20 10 CFCDRN O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1O ZINC000188467882 650332479 /nfs/dbraw/zinc/33/24/79/650332479.db2.gz NWBBOVZTZZZVJY-JSGCOSHPSA-N 0 0 283.327 2.631 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)c2ccn(C(C)(C)C)n2)c1 ZINC000862754363 637479584 /nfs/dbraw/zinc/47/95/84/637479584.db2.gz BMTVFCVIXZIUGY-UHFFFAOYSA-N 0 0 287.363 2.582 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](O)CC(C)(C)C)c1 ZINC000862755861 637479738 /nfs/dbraw/zinc/47/97/38/637479738.db2.gz LOLFCSAQWBCXAA-CYBMUJFWSA-N 0 0 279.380 2.504 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3ccccc3O2)c1 ZINC000862754745 637479754 /nfs/dbraw/zinc/47/97/54/637479754.db2.gz IWWHYCYDXZSRAL-QGZVFWFLSA-N 0 0 297.354 2.711 20 10 CFCDRN Cc1coc(C)c1C(=O)NCc1cc(C)ccc1O ZINC000862755095 637479818 /nfs/dbraw/zinc/47/98/18/637479818.db2.gz COBMUWVTNYPCFK-UHFFFAOYSA-N 0 0 259.305 2.840 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)COC2CCCCC2)c1 ZINC000862758542 637482208 /nfs/dbraw/zinc/48/22/08/637482208.db2.gz CLFWWUCAJAHBIW-UHFFFAOYSA-N 0 0 277.364 2.666 20 10 CFCDRN CCN1C(=O)/C(=C\c2ccnc(F)c2C)SC1=S ZINC000863175774 637578545 /nfs/dbraw/zinc/57/85/45/637578545.db2.gz SHKCFQYYGYMDKT-RMKNXTFCSA-N 0 0 282.365 2.750 20 10 CFCDRN CC(C)CN(CC(C)C)C(=O)CN(C)c1ccc(N)cc1 ZINC000863555907 637694504 /nfs/dbraw/zinc/69/45/04/637694504.db2.gz JYGDLUMEEPNEPZ-UHFFFAOYSA-N 0 0 291.439 2.846 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)CN(C)c2ccc(N)cc2)[C@H]1C ZINC000863555818 637694770 /nfs/dbraw/zinc/69/47/70/637694770.db2.gz ILZBKIDNWKPHIJ-DVOMOZLQSA-N 0 0 289.423 2.646 20 10 CFCDRN O=C(NC[C@H]1CCCC12CC2)c1c(F)ccc(O)c1O ZINC000863945608 637820074 /nfs/dbraw/zinc/82/00/74/637820074.db2.gz KZRVEZRBWYVGCS-SECBINFHSA-N 0 0 279.311 2.547 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)ccc(F)c1F ZINC000864054080 637848002 /nfs/dbraw/zinc/84/80/02/637848002.db2.gz OUAVZMWBZUSPPR-WFASDCNBSA-N 0 0 297.345 2.965 20 10 CFCDRN CCn1ncc2ccc(NC(=O)c3cccc(O)c3O)cc21 ZINC000189279416 650372002 /nfs/dbraw/zinc/37/20/02/650372002.db2.gz NGFDVLVVRPJFAP-UHFFFAOYSA-N 0 0 297.314 2.720 20 10 CFCDRN Cc1[nH]nc2ncc(NCc3cc(C)ccc3O)cc12 ZINC000189343908 650375269 /nfs/dbraw/zinc/37/52/69/650375269.db2.gz FIYDDAJFZVBADV-UHFFFAOYSA-N 0 0 268.320 2.892 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccnc2Cl)cc1 ZINC000015134352 637979824 /nfs/dbraw/zinc/97/98/24/637979824.db2.gz GNHFEUAIFQKSNE-UHFFFAOYSA-N 0 0 289.766 2.731 20 10 CFCDRN CSc1cc(C(=O)NCc2ccc(N(C)C)cc2)co1 ZINC000864576329 638032107 /nfs/dbraw/zinc/03/21/07/638032107.db2.gz YBNXDCPYMALGPY-UHFFFAOYSA-N 0 0 290.388 2.998 20 10 CFCDRN CC/C=C(\F)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000864635380 638055317 /nfs/dbraw/zinc/05/53/17/638055317.db2.gz YXNNGWDXUHUKQE-NSIKDUERSA-N 0 0 264.344 2.974 20 10 CFCDRN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1 ZINC000015249124 638069419 /nfs/dbraw/zinc/06/94/19/638069419.db2.gz OBOLDOBYCINSDN-INIZCTEOSA-N 0 0 281.359 2.949 20 10 CFCDRN CCNC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000189644166 650393620 /nfs/dbraw/zinc/39/36/20/650393620.db2.gz CNJTXTLHXAWKHH-UHFFFAOYSA-N 0 0 298.386 2.838 20 10 CFCDRN CCN(CC)c1ccc(CNC(=O)C2CSC2)cc1 ZINC000864927768 638127080 /nfs/dbraw/zinc/12/70/80/638127080.db2.gz ZTVOKPDTJDXYAY-UHFFFAOYSA-N 0 0 278.421 2.512 20 10 CFCDRN CC/C=C(\F)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865051289 638173688 /nfs/dbraw/zinc/17/36/88/638173688.db2.gz IYIGHJDTRCBFHD-WZUFQYTHSA-N 0 0 268.307 2.771 20 10 CFCDRN CC[C@@H](C)NC(=S)N[C@H](C)c1ccccc1O ZINC000865269346 638249734 /nfs/dbraw/zinc/24/97/34/638249734.db2.gz JLNKNJJXDCJWLY-NXEZZACHSA-N 0 0 252.383 2.716 20 10 CFCDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)no1 ZINC000865289850 638258892 /nfs/dbraw/zinc/25/88/92/638258892.db2.gz GUIPPQMCPDTKDT-UHFFFAOYSA-N 0 0 267.279 2.939 20 10 CFCDRN C[C@@H]1C[C@@H]1c1nnc(NCc2ccc(N(C)C)cc2)o1 ZINC000865295202 638261624 /nfs/dbraw/zinc/26/16/24/638261624.db2.gz CBZAHLMEAOJGOG-MFKMUULPSA-N 0 0 272.352 2.871 20 10 CFCDRN CCOc1ccc(CNc2nnc([C@@H]3C[C@H]3C)o2)c(O)c1 ZINC000865296546 638262862 /nfs/dbraw/zinc/26/28/62/638262862.db2.gz ZLQANLLZLZZUNS-BXKDBHETSA-N 0 0 289.335 2.909 20 10 CFCDRN COC(=O)c1cc(C(=O)CSc2nccs2)c(C)[nH]1 ZINC000865352579 638279265 /nfs/dbraw/zinc/27/92/65/638279265.db2.gz NNULFNGBRSSEOY-UHFFFAOYSA-N 0 0 296.373 2.541 20 10 CFCDRN CN(C)c1ccc(CN(c2ccc(F)nn2)C2CC2)cc1 ZINC000865456355 638347607 /nfs/dbraw/zinc/34/76/07/638347607.db2.gz IXORNGAXYMDXNC-UHFFFAOYSA-N 0 0 286.354 2.851 20 10 CFCDRN C[C@@H](O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000865482824 638369765 /nfs/dbraw/zinc/36/97/65/638369765.db2.gz IQJHZPIDYWJQPP-LLVKDONJSA-N 0 0 289.354 2.952 20 10 CFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)[C@@H](C)O1 ZINC000865689450 638512015 /nfs/dbraw/zinc/51/20/15/638512015.db2.gz HJDPMWUKQNAECO-SOCHQFKDSA-N 0 0 273.735 2.840 20 10 CFCDRN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccnn1C ZINC000865837879 638602783 /nfs/dbraw/zinc/60/27/83/638602783.db2.gz MJCULWXFWPDRTG-SNVBAGLBSA-N 0 0 294.349 2.615 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC=CCC2)c1 ZINC000077643051 650437424 /nfs/dbraw/zinc/43/74/24/650437424.db2.gz VIEZNUMOVHDRIL-RYUDHWBXSA-N 0 0 290.363 2.870 20 10 CFCDRN CCOc1ncccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000866100428 638736907 /nfs/dbraw/zinc/73/69/07/638736907.db2.gz VBXZINGDIHJHSL-UHFFFAOYSA-N 0 0 299.330 2.734 20 10 CFCDRN Cc1nn(C)c2nccc(N3Cc4cccc(O)c4C3)c12 ZINC000866117389 638745401 /nfs/dbraw/zinc/74/54/01/638745401.db2.gz MUQQUWOENSYGQN-UHFFFAOYSA-N 0 0 280.331 2.503 20 10 CFCDRN CC[C@@H](C)Oc1nccnc1N1Cc2cccc(O)c2C1 ZINC000866117242 638745522 /nfs/dbraw/zinc/74/55/22/638745522.db2.gz JALIGXNHWKZFII-LLVKDONJSA-N 0 0 285.347 2.880 20 10 CFCDRN CCCc1cc(N[C@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236413 638776524 /nfs/dbraw/zinc/77/65/24/638776524.db2.gz AXCHYNDPCIHXFX-LLVKDONJSA-N 0 0 297.362 2.956 20 10 CFCDRN CCCc1cc(N[C@@H](C)c2ccccc2O)n2ncnc2n1 ZINC000866236414 638776578 /nfs/dbraw/zinc/77/65/78/638776578.db2.gz AXCHYNDPCIHXFX-NSHDSACASA-N 0 0 297.362 2.956 20 10 CFCDRN Oc1ccccc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866253712 638781287 /nfs/dbraw/zinc/78/12/87/638781287.db2.gz LYIGEEXARRBSFJ-CZUORRHYSA-N 0 0 273.307 2.954 20 10 CFCDRN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000866443271 638821861 /nfs/dbraw/zinc/82/18/61/638821861.db2.gz IWLXGGQKLYSZLV-VXFNFUGZSA-N 0 0 271.307 2.887 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000866598976 638851478 /nfs/dbraw/zinc/85/14/78/638851478.db2.gz WHAOLORUCOSRNV-VNHYZAJKSA-N 0 0 291.391 2.944 20 10 CFCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866635659 638858876 /nfs/dbraw/zinc/85/88/76/638858876.db2.gz RZJPMGQKZFLBDN-GMTAPVOTSA-N 0 0 282.340 2.501 20 10 CFCDRN CC/C=C(\F)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000866763062 638874462 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642710054 /nfs/dbraw/zinc/71/00/54/642710054.db2.gz WOEUQKFHRUXODF-SNVBAGLBSA-N 0 0 291.376 2.751 20 10 CFCDRN O=C(N[C@@H]1CCCC2(CC2)C1)C1=CC(=O)CS1 ZINC000888693968 642752840 /nfs/dbraw/zinc/75/28/40/642752840.db2.gz MYNBFXVSYWQYTN-SECBINFHSA-N 0 0 251.351 2.906 20 10 CFCDRN CCCCN(C(=O)/C=C/c1cnccn1)c1ccncc1 ZINC000876290741 642813302 /nfs/dbraw/zinc/81/33/02/642813302.db2.gz ULUXFUMMYBWHAM-SNAWJCMRSA-N 0 0 282.347 2.718 20 10 CFCDRN [O-]c1c(C[N@@H+](CCO)C2CCCCC2)ccc(F)c1F ZINC000876511352 642899673 /nfs/dbraw/zinc/89/96/73/642899673.db2.gz GCCMAWUPAPDRKY-UHFFFAOYSA-N 0 0 285.334 2.797 20 10 CFCDRN Cc1cccc(O)c1CN(C)Cc1nccn1C(F)F ZINC000876584273 642934314 /nfs/dbraw/zinc/93/43/14/642934314.db2.gz FNVNIJDXVWRBJS-UHFFFAOYSA-N 0 0 281.306 2.924 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc(F)c1F ZINC000876619326 642948210 /nfs/dbraw/zinc/94/82/10/642948210.db2.gz UICGNIZPBALMEP-SNVBAGLBSA-N 0 0 293.317 2.773 20 10 CFCDRN CC(C)(C)C[N@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876695533 642978107 /nfs/dbraw/zinc/97/81/07/642978107.db2.gz AZWIWAWUOIQBBS-UHFFFAOYSA-N 0 0 273.323 2.511 20 10 CFCDRN O=C(Nc1ccc2c(c1)CCC2)c1cccc(O)c1O ZINC000126209440 643050168 /nfs/dbraw/zinc/05/01/68/643050168.db2.gz DADHQFZHRUBZCZ-UHFFFAOYSA-N 0 0 269.300 2.839 20 10 CFCDRN C[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1C ZINC000126231863 643057011 /nfs/dbraw/zinc/05/70/11/643057011.db2.gz XGRQYSNGAIQJGE-CKYFFXLPSA-N 0 0 263.337 2.652 20 10 CFCDRN CCc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000126230676 643057117 /nfs/dbraw/zinc/05/71/17/643057117.db2.gz NPPULECTCMLYBX-UHFFFAOYSA-N 0 0 257.289 2.913 20 10 CFCDRN C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876965000 643084130 /nfs/dbraw/zinc/08/41/30/643084130.db2.gz XXHARRVFRBOFEY-VXGBXAGGSA-N 0 0 298.377 2.880 20 10 CFCDRN O=C(Nc1cccc2cnccc21)c1cccc(O)c1O ZINC000126271178 643087326 /nfs/dbraw/zinc/08/73/26/643087326.db2.gz ZRFBDXZDXDPNSU-UHFFFAOYSA-N 0 0 280.283 2.898 20 10 CFCDRN Cc1nc(C2(NCc3ccc(C)cc3O)CCCC2)no1 ZINC000877001956 643099715 /nfs/dbraw/zinc/09/97/15/643099715.db2.gz MAANFVQFXKUMGY-UHFFFAOYSA-N 0 0 287.363 2.951 20 10 CFCDRN C[C@@H](Cc1ccsc1)NC(=O)c1cccc(O)c1O ZINC000126303484 643111455 /nfs/dbraw/zinc/11/14/55/643111455.db2.gz CRRHKZPXXLEBPX-VIFPVBQESA-N 0 0 277.345 2.520 20 10 CFCDRN Cc1ccc(CN[C@@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000877036837 643114444 /nfs/dbraw/zinc/11/44/44/643114444.db2.gz WQZRUGRODYDNOE-AWEZNQCLSA-N 0 0 293.313 2.802 20 10 CFCDRN CCN1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877036270 643114890 /nfs/dbraw/zinc/11/48/90/643114890.db2.gz DZYPKWZWVUTRAL-LBPRGKRZSA-N 0 0 284.350 2.634 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCO[C@H]21 ZINC000877070899 643134401 /nfs/dbraw/zinc/13/44/01/643134401.db2.gz YHBKNKPMOCGLQN-COLVAYQJSA-N 0 0 297.345 2.964 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC000877070902 643134605 /nfs/dbraw/zinc/13/46/05/643134605.db2.gz YHBKNKPMOCGLQN-VQISRLSMSA-N 0 0 297.345 2.964 20 10 CFCDRN CN(C(=O)Cc1csc(C2CC2)n1)c1ccc(N)cc1 ZINC000877075951 643136974 /nfs/dbraw/zinc/13/69/74/643136974.db2.gz HHLOBTHEQDZEDL-UHFFFAOYSA-N 0 0 287.388 2.808 20 10 CFCDRN COCC1(C(=O)N(C)c2ccc(N)cc2)CCCCC1 ZINC000877074862 643137547 /nfs/dbraw/zinc/13/75/47/643137547.db2.gz UJOWUCLIBCFVPE-UHFFFAOYSA-N 0 0 276.380 2.829 20 10 CFCDRN COc1ccc2c(c1)CC[C@H]2C(=O)N(C)c1ccc(N)cc1 ZINC000877076850 643138330 /nfs/dbraw/zinc/13/83/30/643138330.db2.gz SDWKLAYXHJDYEF-QGZVFWFLSA-N 0 0 296.370 2.970 20 10 CFCDRN CCCCn1cc(C(=O)N(C)c2ccc(N)cc2)c(C)n1 ZINC000877076781 643138551 /nfs/dbraw/zinc/13/85/51/643138551.db2.gz VILYWTGQBNNNHF-UHFFFAOYSA-N 0 0 286.379 2.850 20 10 CFCDRN CN(C(=O)c1ccn(C2CCCC2)n1)c1ccc(N)cc1 ZINC000877076025 643138649 /nfs/dbraw/zinc/13/86/49/643138649.db2.gz LCMOTOAVZHDQIJ-UHFFFAOYSA-N 0 0 284.363 2.857 20 10 CFCDRN Cc1noc(Cl)c1CCC(=O)N(C)c1ccc(N)cc1 ZINC000877078266 643139160 /nfs/dbraw/zinc/13/91/60/643139160.db2.gz KFMFGTFVRCDWNT-UHFFFAOYSA-N 0 0 293.754 2.814 20 10 CFCDRN CSCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877077610 643139681 /nfs/dbraw/zinc/13/96/81/643139681.db2.gz OQQATGTZIHZGGD-UHFFFAOYSA-N 0 0 252.383 2.765 20 10 CFCDRN Cc1cccc(O)c1CNc1ccn(CC(F)F)n1 ZINC000877084709 643143423 /nfs/dbraw/zinc/14/34/23/643143423.db2.gz IFBMVFJMEKUAQS-UHFFFAOYSA-N 0 0 267.279 2.774 20 10 CFCDRN Cc1ncccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877114952 643157785 /nfs/dbraw/zinc/15/77/85/643157785.db2.gz CZGZWVJCASFJKI-UHFFFAOYSA-N 0 0 297.402 2.963 20 10 CFCDRN CCOCCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877114017 643157976 /nfs/dbraw/zinc/15/79/76/643157976.db2.gz KMBXTOXJHCYEQL-UHFFFAOYSA-N 0 0 285.334 2.967 20 10 CFCDRN Cc1ccc(CNc2ccc(N3CCCC3=O)cn2)c(O)c1 ZINC000877115785 643158772 /nfs/dbraw/zinc/15/87/72/643158772.db2.gz HPPVYKBPIBWFGQ-UHFFFAOYSA-N 0 0 297.358 2.835 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc(F)c1F ZINC000877125786 643163912 /nfs/dbraw/zinc/16/39/12/643163912.db2.gz ACGSIJGBOLIMIT-VCTAVGKDSA-N 0 0 295.329 2.718 20 10 CFCDRN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877129284 643167841 /nfs/dbraw/zinc/16/78/41/643167841.db2.gz MDDJYBZDLOTNLE-SKDRFNHKSA-N 0 0 297.301 2.865 20 10 CFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1ccc(C)cc1O ZINC000877303162 643226176 /nfs/dbraw/zinc/22/61/76/643226176.db2.gz PZMUKANNPZXFDC-CQSZACIVSA-N 0 0 277.364 2.522 20 10 CFCDRN C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000126448788 643227406 /nfs/dbraw/zinc/22/74/06/643227406.db2.gz BIJIRUMWPTWQMQ-VWYCJHECSA-N 0 0 263.337 2.652 20 10 CFCDRN [O-]c1c(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc(F)c1F ZINC000877306012 643228398 /nfs/dbraw/zinc/22/83/98/643228398.db2.gz CNZRJFAVAKGGER-CYBMUJFWSA-N 0 0 297.345 2.919 20 10 CFCDRN Cc1cc(F)cc(NC(=O)c2cccc(O)c2O)c1 ZINC000126469511 643236619 /nfs/dbraw/zinc/23/66/19/643236619.db2.gz SSBCMNGGUGIVEI-UHFFFAOYSA-N 0 0 261.252 2.798 20 10 CFCDRN CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC000126528295 643282856 /nfs/dbraw/zinc/28/28/56/643282856.db2.gz MJAMTFPRSLFNOI-UHFFFAOYSA-N 0 0 291.278 2.888 20 10 CFCDRN CCOC(=O)[C@@H](C)N(Cc1ccc(C)cc1O)C1CC1 ZINC000877467989 643287937 /nfs/dbraw/zinc/28/79/37/643287937.db2.gz VLEZYFREWVBCCN-GFCCVEGCSA-N 0 0 277.364 2.617 20 10 CFCDRN COc1cc(CCO)ccc1NCc1ccc(C)cc1O ZINC000877479039 643295408 /nfs/dbraw/zinc/29/54/08/643295408.db2.gz PUNNUGAOZKABDA-UHFFFAOYSA-N 0 0 287.359 2.856 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2CCCCN2C2CC2)ccc(F)c1F ZINC000877478116 643295703 /nfs/dbraw/zinc/29/57/03/643295703.db2.gz AIRVHYXZMLGAIU-CYBMUJFWSA-N 0 0 296.361 2.777 20 10 CFCDRN [O-]c1c(C[NH2+]CC2(CO)CC3(CCC3)C2)ccc(F)c1F ZINC000877485026 643300573 /nfs/dbraw/zinc/30/05/73/643300573.db2.gz VQCPCUGWGIYJHR-UHFFFAOYSA-N 0 0 297.345 2.703 20 10 CFCDRN Cc1ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)c(O)c1 ZINC000877505422 643315244 /nfs/dbraw/zinc/31/52/44/643315244.db2.gz CURVTKOOKMWNSR-CYBMUJFWSA-N 0 0 263.381 2.684 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc(F)c1F ZINC000877507682 643317438 /nfs/dbraw/zinc/31/74/38/643317438.db2.gz KPXMFMWKDXEHHU-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN Cc1cccc(O)c1CNCc1nccc(C(F)F)n1 ZINC000877535306 643337270 /nfs/dbraw/zinc/33/72/70/643337270.db2.gz YPDWLLLIHWRMEC-UHFFFAOYSA-N 0 0 279.290 2.718 20 10 CFCDRN CCC[C@@]1(CO)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877538061 643341634 /nfs/dbraw/zinc/34/16/34/643341634.db2.gz UMBDWEFPKNQEIA-OAHLLOKOSA-N 0 0 285.334 2.655 20 10 CFCDRN CCc1nocc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877552179 643351856 /nfs/dbraw/zinc/35/18/56/643351856.db2.gz LRJJJVZECUUJSM-UHFFFAOYSA-N 0 0 282.290 2.853 20 10 CFCDRN Cc1ccc(CNCc2nnc(C3CC3)s2)c(O)c1 ZINC000877592604 643384788 /nfs/dbraw/zinc/38/47/88/643384788.db2.gz QUUMTMSYPCENBY-UHFFFAOYSA-N 0 0 275.377 2.719 20 10 CFCDRN COc1ccc(N(C)Cc2cc(OC)cnc2F)cc1 ZINC000877608962 643396149 /nfs/dbraw/zinc/39/61/49/643396149.db2.gz AZAZXZRONRQRTD-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN COc1ccc(N(C)Cc2c3c(nn2C)CCCC3)cc1 ZINC000877610652 643397335 /nfs/dbraw/zinc/39/73/35/643397335.db2.gz WFYZVSXRHSJTRR-UHFFFAOYSA-N 0 0 285.391 2.944 20 10 CFCDRN [O-]c1c(C[NH2+][C@H]2CCCN3CCCC[C@H]23)ccc(F)c1F ZINC000877619241 643404901 /nfs/dbraw/zinc/40/49/01/643404901.db2.gz SWEMNCPLJFZOFZ-UONOGXRCSA-N 0 0 296.361 2.777 20 10 CFCDRN COC(=O)[C@@]1(C)C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000877666554 643443015 /nfs/dbraw/zinc/44/30/15/643443015.db2.gz LACPSXKJZORREJ-BONVTDFDSA-N 0 0 297.782 2.677 20 10 CFCDRN CC(C)(C)c1ncc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877703232 643468963 /nfs/dbraw/zinc/46/89/63/643468963.db2.gz XKYQPUQUMLHTSC-UHFFFAOYSA-N 0 0 283.375 2.996 20 10 CFCDRN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877777745 643554353 /nfs/dbraw/zinc/55/43/53/643554353.db2.gz DJFNVTBSNJXCBM-KWQFWETISA-N 0 0 275.751 2.824 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)ccc(F)c1F ZINC000877805481 643566703 /nfs/dbraw/zinc/56/67/03/643566703.db2.gz JXHPILSBOKNTAA-CDMKHQONSA-N 0 0 283.318 2.718 20 10 CFCDRN O=C1N(c2ccccc2)[C@@H](c2cc(F)ccc2O)NC12CC2 ZINC000877859231 643609371 /nfs/dbraw/zinc/60/93/71/643609371.db2.gz OIVLTHZKAWDZNS-HNNXBMFYSA-N 0 0 298.317 2.699 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@@H](c1cccc(F)c1O)N2 ZINC000877862653 643611528 /nfs/dbraw/zinc/61/15/28/643611528.db2.gz MEFLWBUOTXBAHI-AWEZNQCLSA-N 0 0 272.279 2.694 20 10 CFCDRN CCOc1ccc(O)c([C@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877864273 643612556 /nfs/dbraw/zinc/61/25/56/643612556.db2.gz OTWRIVFOWSPLFE-INIZCTEOSA-N 0 0 298.342 2.953 20 10 CFCDRN COc1ccc2c(c1)CCCN2C[C@H]1CCO[C@H]1C ZINC000877944932 643657703 /nfs/dbraw/zinc/65/77/03/643657703.db2.gz WGGLBROLWYRZQI-GXTWGEPZSA-N 0 0 261.365 2.873 20 10 CFCDRN CCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000877952714 643661153 /nfs/dbraw/zinc/66/11/53/643661153.db2.gz VNCPWJQXKVGSQM-MRVPVSSYSA-N 0 0 292.364 2.689 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000878276573 643818299 /nfs/dbraw/zinc/81/82/99/643818299.db2.gz FPKDOVCCDKTEPS-CQSZACIVSA-N 0 0 291.391 2.946 20 10 CFCDRN Cc1nc(C(C)C)ncc1C(=O)NCc1ccccc1O ZINC000878559702 643941246 /nfs/dbraw/zinc/94/12/46/643941246.db2.gz OVRPMUQALIIHNL-UHFFFAOYSA-N 0 0 285.347 2.544 20 10 CFCDRN CC1(C)CC[C@@H](CC(=O)NCc2ccccc2O)OC1 ZINC000878559424 643941340 /nfs/dbraw/zinc/94/13/40/643941340.db2.gz GMJHCBQOKWBAGR-ZDUSSCGKSA-N 0 0 277.364 2.604 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000878801836 644031353 /nfs/dbraw/zinc/03/13/53/644031353.db2.gz QBBUDKRWTCDHCI-MRXNPFEDSA-N 0 0 291.391 2.717 20 10 CFCDRN CCOc1ccc(N(Cc2cn(C)nn2)CC2CC2)cc1 ZINC000879117299 644149478 /nfs/dbraw/zinc/14/94/78/644149478.db2.gz OOHQWOMDUDMSHO-UHFFFAOYSA-N 0 0 286.379 2.630 20 10 CFCDRN C[C@H](NCc1nc(C2CCC2)no1)c1ccccc1O ZINC000879649653 644362964 /nfs/dbraw/zinc/36/29/64/644362964.db2.gz ATSRHACSAFMFIQ-JTQLQIEISA-N 0 0 273.336 2.894 20 10 CFCDRN CCC[C@H](N[C@@H](C)c1ccccc1O)C(=O)OCC ZINC000879650618 644364707 /nfs/dbraw/zinc/36/47/07/644364707.db2.gz JYECKJBTHOUCDR-AAEUAGOBSA-N 0 0 265.353 2.775 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCC(F)F ZINC000879761524 644415463 /nfs/dbraw/zinc/41/54/63/644415463.db2.gz JZSGJWSKLOEQMT-UHFFFAOYSA-N 0 0 272.295 2.579 20 10 CFCDRN CN(C)c1ccc(CNC(=O)COCc2ccccc2)cc1 ZINC000248113458 650923500 /nfs/dbraw/zinc/92/35/00/650923500.db2.gz KTWPXNPHFDGQMW-UHFFFAOYSA-N 0 0 298.386 2.586 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCOC1 ZINC000093839923 650947544 /nfs/dbraw/zinc/94/75/44/650947544.db2.gz RGRDDYLZWWQTIB-JTQLQIEISA-N 0 0 255.745 2.514 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC(C)(C)CO2)c1 ZINC000880836776 644847053 /nfs/dbraw/zinc/84/70/53/644847053.db2.gz BYGWDVZBYYEOBL-CQSZACIVSA-N 0 0 291.391 2.912 20 10 CFCDRN O=C1NC(=S)S/C1=C/c1cc(F)c(F)cc1F ZINC000128671650 644852398 /nfs/dbraw/zinc/85/23/98/644852398.db2.gz OZTBRHZLLFROOB-KRXBUXKQSA-N 0 0 275.276 2.593 20 10 CFCDRN CC(C)CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881203990 644927643 /nfs/dbraw/zinc/92/76/43/644927643.db2.gz WYSCQFPJELOHLY-UHFFFAOYSA-N 0 0 274.368 2.876 20 10 CFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F ZINC000881284306 644943874 /nfs/dbraw/zinc/94/38/74/644943874.db2.gz ZZNXKVGIOREMQM-LLVKDONJSA-N 0 0 297.349 2.740 20 10 CFCDRN CCc1ccccc1C(=O)NCc1cc(OC)ccc1O ZINC000128948685 644955751 /nfs/dbraw/zinc/95/57/51/644955751.db2.gz VZZMWCAKJNMADY-UHFFFAOYSA-N 0 0 285.343 2.893 20 10 CFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2CCC2)cc1 ZINC000881797390 645129613 /nfs/dbraw/zinc/12/96/13/645129613.db2.gz VHQIFGFWCQYQQW-UHFFFAOYSA-N 0 0 296.436 2.505 20 10 CFCDRN CCN(CC)c1ccc(CNc2ncc(C=O)cn2)cc1 ZINC000881821524 645135147 /nfs/dbraw/zinc/13/51/47/645135147.db2.gz FUYWYKUPYUEHBJ-UHFFFAOYSA-N 0 0 284.363 2.747 20 10 CFCDRN CCCOc1ccnc(Sc2nccs2)n1 ZINC000881837233 645138124 /nfs/dbraw/zinc/13/81/24/645138124.db2.gz PTTICRVADHGJIP-UHFFFAOYSA-N 0 0 253.352 2.873 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1 ZINC000129689498 645346322 /nfs/dbraw/zinc/34/63/22/645346322.db2.gz PCAAHIBPNLQRKM-AWEZNQCLSA-N 0 0 297.402 2.958 20 10 CFCDRN O=C(NCCCSc1nccs1)c1cncc(F)c1 ZINC000129826103 645409972 /nfs/dbraw/zinc/40/99/72/645409972.db2.gz VVVCKLSAKXBWFE-UHFFFAOYSA-N 0 0 297.380 2.589 20 10 CFCDRN CCCN(CC(=O)OCC)Cc1c(O)cccc1Cl ZINC000130514123 645515055 /nfs/dbraw/zinc/51/50/55/645515055.db2.gz UIOWZXNJTUDQGP-UHFFFAOYSA-N 0 0 285.771 2.821 20 10 CFCDRN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882993860 645550578 /nfs/dbraw/zinc/55/05/78/645550578.db2.gz JSZZSUNEGRKLFX-XPTSAGLGSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@](O)(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000883000949 645555619 /nfs/dbraw/zinc/55/56/19/645555619.db2.gz QCHWWJZBCWTDPK-INIZCTEOSA-N 0 0 293.313 2.668 20 10 CFCDRN Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883016188 645563042 /nfs/dbraw/zinc/56/30/42/645563042.db2.gz QHSAXTSLKQIUNX-MRVPVSSYSA-N 0 0 296.317 2.996 20 10 CFCDRN C[C@H](Cc1ccncc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883029565 645571668 /nfs/dbraw/zinc/57/16/68/645571668.db2.gz YMCJLFZRPBVTJY-SNVBAGLBSA-N 0 0 278.302 2.786 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000883077123 645593893 /nfs/dbraw/zinc/59/38/93/645593893.db2.gz ZHTGYVFKVABIFD-STQMWFEESA-N 0 0 271.307 2.718 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000883076311 645594159 /nfs/dbraw/zinc/59/41/59/645594159.db2.gz ZPSZWWAUXPXOPQ-KCPJHIHWSA-N 0 0 295.329 2.718 20 10 CFCDRN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883082779 645597028 /nfs/dbraw/zinc/59/70/28/645597028.db2.gz QFVZXUVWAWCJJQ-TVQRCGJNSA-N 0 0 271.307 2.575 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)c1ccccc1 ZINC000883121089 645611860 /nfs/dbraw/zinc/61/18/60/645611860.db2.gz XMGRRBBHTYMZIF-BMIGLBTASA-N 0 0 293.313 2.882 20 10 CFCDRN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883152706 645628536 /nfs/dbraw/zinc/62/85/36/645628536.db2.gz DYTBZPPBPPPLEU-SKDRFNHKSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000131156529 645638621 /nfs/dbraw/zinc/63/86/21/645638621.db2.gz UXZZLOURBGITGN-DGCLKSJQSA-N 0 0 257.333 2.985 20 10 CFCDRN CCCN(C)CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883182281 645646028 /nfs/dbraw/zinc/64/60/28/645646028.db2.gz YFJTUIAZIYFTPS-UHFFFAOYSA-N 0 0 286.366 2.880 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000883190012 645652284 /nfs/dbraw/zinc/65/22/84/645652284.db2.gz SPDBIAIXMVBZSG-CQSZACIVSA-N 0 0 296.361 2.777 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000883262553 645707637 /nfs/dbraw/zinc/70/76/37/645707637.db2.gz LPYLUVHIBSCMDU-KYZUINATSA-N 0 0 273.735 2.699 20 10 CFCDRN Oc1cccc2c1[C@H](NC1(c3ncccn3)CCC1)CC2 ZINC000883311996 645732652 /nfs/dbraw/zinc/73/26/52/645732652.db2.gz QKQBSBLUJISADI-CYBMUJFWSA-N 0 0 281.359 2.839 20 10 CFCDRN CN(C)c1ccc(CNc2nn(C)cc2Cl)cc1F ZINC000883372488 645777283 /nfs/dbraw/zinc/77/72/83/645777283.db2.gz BZIJYEDHXXZIPI-UHFFFAOYSA-N 0 0 282.750 2.891 20 10 CFCDRN CC[C@@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000132331377 645908672 /nfs/dbraw/zinc/90/86/72/645908672.db2.gz NFIWUFRUOPRAMS-GFCCVEGCSA-N 0 0 255.745 2.656 20 10 CFCDRN CC[C@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000132331591 645908716 /nfs/dbraw/zinc/90/87/16/645908716.db2.gz NFIWUFRUOPRAMS-LBPRGKRZSA-N 0 0 255.745 2.656 20 10 CFCDRN CC[C@H](C)OCC(=O)NCCCSc1nccs1 ZINC000132748351 645960178 /nfs/dbraw/zinc/96/01/78/645960178.db2.gz HXVCPJYGQKPKHT-JTQLQIEISA-N 0 0 288.438 2.557 20 10 CFCDRN Oc1ccccc1CNc1ncncc1Br ZINC000133026867 646006807 /nfs/dbraw/zinc/00/68/07/646006807.db2.gz CJOUVLOFKMQCNK-UHFFFAOYSA-N 0 0 280.125 2.557 20 10 CFCDRN COc1cccc(CNC(=O)N[C@H](C)CC(C)C)c1O ZINC000133319883 646073513 /nfs/dbraw/zinc/07/35/13/646073513.db2.gz GVEDYBNUAAWWLF-LLVKDONJSA-N 0 0 280.368 2.635 20 10 CFCDRN Cc1cc(C(=O)NCc2ccccc2O)cc([N+](=O)[O-])c1 ZINC000133749081 646219903 /nfs/dbraw/zinc/21/99/03/646219903.db2.gz LHEWESCUFWBJAX-UHFFFAOYSA-N 0 0 286.287 2.539 20 10 CFCDRN COc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000133746094 646220126 /nfs/dbraw/zinc/22/01/26/646220126.db2.gz SWADNGWGMJBDAD-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN Cc1ccccc1CC(=O)NCc1ccccc1O ZINC000133774366 646226366 /nfs/dbraw/zinc/22/63/66/646226366.db2.gz IWJNUKOVLCJHDS-UHFFFAOYSA-N 0 0 255.317 2.560 20 10 CFCDRN Cc1cccnc1CNC(=S)Nc1ccccc1 ZINC000134394402 646339612 /nfs/dbraw/zinc/33/96/12/646339612.db2.gz CUYKIFJHRROVBP-UHFFFAOYSA-N 0 0 257.362 2.877 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(F)cc1 ZINC000217013678 646739023 /nfs/dbraw/zinc/73/90/23/646739023.db2.gz MLPHDUQOZKAGHK-WAPJZHGLSA-N 0 0 273.263 2.889 20 10 CFCDRN CCOc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886017226 646819600 /nfs/dbraw/zinc/81/96/00/646819600.db2.gz VASFYAJZOKYHBW-CZUORRHYSA-N 0 0 261.365 2.948 20 10 CFCDRN CCN(C[C@@H]1C[C@]12CCOC2)c1ccc(OC)c(OC)c1 ZINC000886052668 646843641 /nfs/dbraw/zinc/84/36/41/646843641.db2.gz VVQKASRGEZZHPO-GUYCJALGSA-N 0 0 291.391 2.957 20 10 CFCDRN CCN(C[C@H]1C[C@]12CCOC2)c1ccc(OC)c(OC)c1 ZINC000886052667 646844312 /nfs/dbraw/zinc/84/43/12/646844312.db2.gz VVQKASRGEZZHPO-DYVFJYSZSA-N 0 0 291.391 2.957 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)Cc1noc2ccccc21 ZINC000136948938 646870396 /nfs/dbraw/zinc/87/03/96/646870396.db2.gz PNKRPZFTZLTSPJ-UHFFFAOYSA-N 0 0 296.326 2.735 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886269301 646942431 /nfs/dbraw/zinc/94/24/31/646942431.db2.gz RGLDXEBJBUFRMS-UHFFFAOYSA-N 0 0 280.274 2.826 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1c([O-])cccc1F ZINC000886507240 647022982 /nfs/dbraw/zinc/02/29/82/647022982.db2.gz BKUHHFYQVXOZRO-MFKMUULPSA-N 0 0 266.360 2.522 20 10 CFCDRN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1c([O-])cccc1F ZINC000886507239 647023097 /nfs/dbraw/zinc/02/30/97/647023097.db2.gz BKUHHFYQVXOZRO-GXFFZTMASA-N 0 0 266.360 2.522 20 10 CFCDRN CCCCOCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886517946 647026100 /nfs/dbraw/zinc/02/61/00/647026100.db2.gz XQJDCBKFQRESKX-LLVKDONJSA-N 0 0 255.333 2.999 20 10 CFCDRN CCN(CC[NH2+][C@H](C)c1c([O-])cccc1F)C1CC1 ZINC000886520460 647026770 /nfs/dbraw/zinc/02/67/70/647026770.db2.gz FNQJUENUOAUNQS-LLVKDONJSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N(C)C1CC1 ZINC000886524380 647028734 /nfs/dbraw/zinc/02/87/34/647028734.db2.gz JRIHXQPVRYJFIO-MNOVXSKESA-N 0 0 266.360 2.665 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526190 647029783 /nfs/dbraw/zinc/02/97/83/647029783.db2.gz HCTAEGBIHUNUEZ-YGRLFVJLSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886530973 647031588 /nfs/dbraw/zinc/03/15/88/647031588.db2.gz UONTUNBTNKEWEZ-OLZOCXBDSA-N 0 0 297.370 2.625 20 10 CFCDRN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1c([O-])cccc1F ZINC000886534973 647035045 /nfs/dbraw/zinc/03/50/45/647035045.db2.gz SBOAADUHUGXHSQ-RYUDHWBXSA-N 0 0 266.360 2.666 20 10 CFCDRN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1c([O-])cccc1F ZINC000886538143 647035640 /nfs/dbraw/zinc/03/56/40/647035640.db2.gz CEZWMLGPOPASPI-HZMBPMFUSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1c([O-])cccc1F ZINC000886560254 647047036 /nfs/dbraw/zinc/04/70/36/647047036.db2.gz SNSYCMGFNWLNBV-GMTAPVOTSA-N 0 0 253.317 2.749 20 10 CFCDRN CO[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886572800 647051700 /nfs/dbraw/zinc/05/17/00/647051700.db2.gz ANMCGPBVIDGCGF-XCBNKYQSSA-N 0 0 281.249 2.759 20 10 CFCDRN CO[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)C(F)(F)F ZINC000886572798 647051753 /nfs/dbraw/zinc/05/17/53/647051753.db2.gz ANMCGPBVIDGCGF-GMSGAONNSA-N 0 0 281.249 2.759 20 10 CFCDRN CCOC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886596592 647060420 /nfs/dbraw/zinc/06/04/20/647060420.db2.gz JVVQRGCDMOFDRW-JTQLQIEISA-N 0 0 255.333 2.997 20 10 CFCDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1c([O-])cccc1F ZINC000886608810 647064923 /nfs/dbraw/zinc/06/49/23/647064923.db2.gz GFVZPBMSOYHHGR-QXEWZRGKSA-N 0 0 255.358 2.933 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1c([O-])cccc1F ZINC000886612413 647066666 /nfs/dbraw/zinc/06/66/66/647066666.db2.gz KTAMZGCWUFQODO-GWCFXTLKSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H]([NH2+]CCC(C)(C)CO)c1c([O-])cccc1F ZINC000886617595 647070884 /nfs/dbraw/zinc/07/08/84/647070884.db2.gz UACJUMOZRSZCBA-SNVBAGLBSA-N 0 0 255.333 2.591 20 10 CFCDRN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886641494 647083306 /nfs/dbraw/zinc/08/33/06/647083306.db2.gz KYHUSIUJLFWHOK-NEPJUHHUSA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccnn1C ZINC000886648081 647086957 /nfs/dbraw/zinc/08/69/57/647086957.db2.gz LDEAZTBRSLVWMN-ZJUUUORDSA-N 0 0 263.316 2.677 20 10 CFCDRN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1c([O-])cccc1F ZINC000886650043 647088302 /nfs/dbraw/zinc/08/83/02/647088302.db2.gz NYWXBIPOHKYWRI-QWRGUYRKSA-N 0 0 281.327 2.525 20 10 CFCDRN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1c([O-])cccc1F ZINC000886650130 647088457 /nfs/dbraw/zinc/08/84/57/647088457.db2.gz PRNVDESFKPHXEW-ZYHUDNBSSA-N 0 0 275.327 2.914 20 10 CFCDRN CSCc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2O)[n-]1 ZINC000886757925 647128493 /nfs/dbraw/zinc/12/84/93/647128493.db2.gz VPBZPXGMUKYTCS-JTQLQIEISA-N 0 0 292.408 2.533 20 10 CFCDRN CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccccc1O ZINC000886801845 647144584 /nfs/dbraw/zinc/14/45/84/647144584.db2.gz TYMVGLQYYAWTKQ-PWSUYJOCSA-N 0 0 277.286 2.746 20 10 CFCDRN CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccccc1O ZINC000886801844 647144788 /nfs/dbraw/zinc/14/47/88/647144788.db2.gz TYMVGLQYYAWTKQ-JQWIXIFHSA-N 0 0 277.286 2.746 20 10 CFCDRN COC(=O)c1sc(NCc2ccccc2O)nc1Cl ZINC000221019171 647169022 /nfs/dbraw/zinc/16/90/22/647169022.db2.gz OAXWUFSDFCKSQW-UHFFFAOYSA-N 0 0 298.751 2.901 20 10 CFCDRN CC(C)C[C@H]1C(=O)N[C@@H](c2cc(Cl)ccc2O)N1C ZINC000887332632 647275602 /nfs/dbraw/zinc/27/56/02/647275602.db2.gz JNCDDKLVFHTIMR-WCQYABFASA-N 0 0 282.771 2.521 20 10 CFCDRN COc1ccc(O)c([C@H](C)NCC(F)(F)C(F)F)c1 ZINC000223738777 647388921 /nfs/dbraw/zinc/38/89/21/647388921.db2.gz XJOUHUDEURXKNG-ZETCQYMHSA-N 0 0 281.249 2.952 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(CC(F)F)C1CCC1 ZINC000925253063 648143937 /nfs/dbraw/zinc/14/39/37/648143937.db2.gz BYYCLHIOIJQSJX-ALCCZGGFSA-N 0 0 297.301 2.757 20 10 CFCDRN Cc1cc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])nn1C ZINC000926908376 648653000 /nfs/dbraw/zinc/65/30/00/648653000.db2.gz CWTJSRGRVIVWCW-LLVKDONJSA-N 0 0 293.798 2.981 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCS[C@@H](C)C2)c1 ZINC000927231508 648742564 /nfs/dbraw/zinc/74/25/64/648742564.db2.gz IUKGPLZYAZIBJH-AAEUAGOBSA-N 0 0 294.420 2.784 20 10 CFCDRN C[C@@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1 ZINC000928706667 648945384 /nfs/dbraw/zinc/94/53/84/648945384.db2.gz UPELJOWDLXJJCV-OAHLLOKOSA-N 0 0 263.312 2.894 20 10 CFCDRN CC1(C)CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928707676 648945451 /nfs/dbraw/zinc/94/54/51/648945451.db2.gz GICYVCVWGSDRHZ-LLVKDONJSA-N 0 0 265.328 2.974 20 10 CFCDRN CCCN(Cc1nncs1)Cc1ccccc1O ZINC000929753660 649112050 /nfs/dbraw/zinc/11/20/50/649112050.db2.gz UAUXREDMRGTWAP-UHFFFAOYSA-N 0 0 263.366 2.656 20 10 CFCDRN COc1ccc(N(C)CCc2ccns2)cc1F ZINC000929824799 649131540 /nfs/dbraw/zinc/13/15/40/649131540.db2.gz GGGNDDJJMDHCKS-UHFFFAOYSA-N 0 0 266.341 2.970 20 10 CFCDRN CCOc1ccc(N(CC)Cc2nnc(OC)s2)cc1 ZINC000929913738 649149090 /nfs/dbraw/zinc/14/90/90/649149090.db2.gz ROLUSRYNXHSGQP-UHFFFAOYSA-N 0 0 293.392 2.972 20 10 CFCDRN CCN(C(=O)/C=C\c1cn(C)cn1)c1cccc(C)c1 ZINC000930061448 649176297 /nfs/dbraw/zinc/17/62/97/649176297.db2.gz NVWYJHFQOCHUNU-HJWRWDBZSA-N 0 0 269.348 2.795 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2CCc1ccns1 ZINC000930127794 649190168 /nfs/dbraw/zinc/19/01/68/649190168.db2.gz ROTXWUMQONVUMC-UHFFFAOYSA-N 0 0 289.404 2.651 20 10 CFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ncccn2)c1 ZINC000930215616 649208106 /nfs/dbraw/zinc/20/81/06/649208106.db2.gz VSJKBJBSRNVRNN-QWRGUYRKSA-N 0 0 273.336 2.603 20 10 CFCDRN CCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000930297205 649224961 /nfs/dbraw/zinc/22/49/61/649224961.db2.gz WWJWIZCYWCACMP-INIZCTEOSA-N 0 0 292.423 2.651 20 10 CFCDRN CCN(C)c1ccc(CN2CCC[C@H]2c2nc[nH]n2)cc1 ZINC000931140112 649385354 /nfs/dbraw/zinc/38/53/54/649385354.db2.gz GIAHVVFBXLBNJA-HNNXBMFYSA-N 0 0 285.395 2.598 20 10 CFCDRN CCN(C)c1ccc(CN2CC[C@H]2C(F)F)cc1 ZINC000931423553 649423294 /nfs/dbraw/zinc/42/32/94/649423294.db2.gz DWHWFAAGXUBNTQ-ZDUSSCGKSA-N 0 0 254.324 2.982 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2ccccc2o1 ZINC000098074611 651067171 /nfs/dbraw/zinc/06/71/71/651067171.db2.gz NSOXWKYHXNQWFV-UHFFFAOYSA-N 0 0 297.310 2.817 20 10 CFCDRN CC[C@H](Nc1cnn(CCO)c1)c1ccc(N(C)C)cc1 ZINC000305797415 651081004 /nfs/dbraw/zinc/08/10/04/651081004.db2.gz FISAWFZKJKDWIK-INIZCTEOSA-N 0 0 288.395 2.505 20 10 CFCDRN CSC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280930 651257907 /nfs/dbraw/zinc/25/79/07/651257907.db2.gz UWZBFZUWROWQHM-GFCCVEGCSA-N 0 0 280.437 2.676 20 10 CFCDRN CN(Cc1ccccc1O)Cc1cccc(O)c1F ZINC001233058171 777784830 /nfs/dbraw/zinc/78/48/30/777784830.db2.gz UQDLDXCFUQDNSP-UHFFFAOYSA-N 0 0 261.296 2.869 20 10 CFCDRN COc1cc(O)c(CN2CC[C@H]2C)cc1Br ZINC001233135223 777807042 /nfs/dbraw/zinc/80/70/42/777807042.db2.gz OXMIDJPIYUSTBG-MRVPVSSYSA-N 0 0 286.169 2.758 20 10 CFCDRN CCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1 ZINC001089804562 779614019 /nfs/dbraw/zinc/61/40/19/779614019.db2.gz LTRNFSHRRFJPBY-UHFFFAOYSA-N 0 0 291.370 2.664 20 10 CFCDRN CCC(F)(F)C(C)(C)CNC(=O)c1cccc(O)c1O ZINC000700060717 780659219 /nfs/dbraw/zinc/65/92/19/780659219.db2.gz QZRUFOUCLKULJN-UHFFFAOYSA-N 0 0 287.306 2.899 20 10 CFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001137831650 780855013 /nfs/dbraw/zinc/85/50/13/780855013.db2.gz IOUAPLNFKDPXLI-ABAIWWIYSA-N 0 0 265.328 2.532 20 10 CFCDRN CC(C)(C)C[N@H+](CCCO)Cc1cc(F)c(F)cc1[O-] ZINC001204460219 770132287 /nfs/dbraw/zinc/13/22/87/770132287.db2.gz KNOWVMLLHSQFLV-UHFFFAOYSA-N 0 0 287.350 2.901 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)/C=C\c2cnccc2C)c1 ZINC001167293574 770226846 /nfs/dbraw/zinc/22/68/46/770226846.db2.gz JRPNEQBRHDQHIN-XQRVVYSFSA-N 0 0 282.343 2.734 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCNCC(F)(F)C2)c(O)c1 ZINC001211347996 770488140 /nfs/dbraw/zinc/48/81/40/770488140.db2.gz VMWGQYALJWSQFT-UHFFFAOYSA-N 0 0 298.377 2.730 20 10 CFCDRN C[C@@H]([NH2+]CCOC1CCC1)c1ccc(F)cc1[O-] ZINC000690707089 770510906 /nfs/dbraw/zinc/51/09/06/770510906.db2.gz XLYJIPAGTFVCGS-SNVBAGLBSA-N 0 0 253.317 2.751 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)CCCC1=O ZINC001140337842 770526558 /nfs/dbraw/zinc/52/65/58/770526558.db2.gz IZKOGNVBCZTHAR-SNVBAGLBSA-N 0 0 267.756 2.847 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)nc1 ZINC000588403291 770530991 /nfs/dbraw/zinc/53/09/91/770530991.db2.gz JKABQOHEISWSGZ-KXFIGUGUSA-N 0 0 290.706 2.798 20 10 CFCDRN CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccncc1 ZINC000588406643 770536606 /nfs/dbraw/zinc/53/66/06/770536606.db2.gz VVOLYRJFWYNPSZ-KXQLTZBTSA-N 0 0 298.342 2.774 20 10 CFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000588405703 770537098 /nfs/dbraw/zinc/53/70/98/770537098.db2.gz NHHCHPAGGXGZMR-OQFOIZHKSA-N 0 0 287.290 2.913 20 10 CFCDRN CON(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588413331 770567532 /nfs/dbraw/zinc/56/75/32/770567532.db2.gz CSIGLNDBLFCBCR-NTMALXAHSA-N 0 0 299.326 2.701 20 10 CFCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000723960002 770721105 /nfs/dbraw/zinc/72/11/05/770721105.db2.gz VGCFPUDKKGZHNJ-QMTHXVAHSA-N 0 0 285.334 2.965 20 10 CFCDRN OCCc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000708440377 775203673 /nfs/dbraw/zinc/20/36/73/775203673.db2.gz AAVLVPAENCUIHW-UHFFFAOYSA-N 0 0 279.286 2.817 20 10 CFCDRN C=CCCOCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000143943128 775319466 /nfs/dbraw/zinc/31/94/66/775319466.db2.gz FRFSVNZISJMARY-UHFFFAOYSA-N 0 0 290.407 2.694 20 10 CFCDRN Cc1c(O)ccc(CN2CC(Oc3ccccc3)C2)c1O ZINC001140746260 775394944 /nfs/dbraw/zinc/39/49/44/775394944.db2.gz XKIREJXZTHHQRR-UHFFFAOYSA-N 0 0 285.343 2.669 20 10 CFCDRN CN(C)c1ccc(CN2CCCC(=O)CC2)c(Cl)c1 ZINC001140921353 775651359 /nfs/dbraw/zinc/65/13/59/775651359.db2.gz BAFOPAXWPJKGFC-UHFFFAOYSA-N 0 0 280.799 2.961 20 10 CFCDRN CC(C)(C)OCCC[NH2+]Cc1cc(F)ccc1O ZINC000695264281 775754004 /nfs/dbraw/zinc/75/40/04/775754004.db2.gz YTLPEVMYEVROFZ-UHFFFAOYSA-N 0 0 255.333 2.826 20 10 CFCDRN CC[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccccc1 ZINC001226466000 775834782 /nfs/dbraw/zinc/83/47/82/775834782.db2.gz YNEBDNXMISOJRI-SECBINFHSA-N 0 0 292.287 2.745 20 10 CFCDRN Cc1cccc([C@H](C)Oc2c(O)c(O)c(O)c(O)c2O)c1 ZINC001226468380 775835333 /nfs/dbraw/zinc/83/53/33/775835333.db2.gz NGWGYRQXYSEINP-QMMMGPOBSA-N 0 0 292.287 2.663 20 10 CFCDRN O=S(=O)(Cc1ccccc1F)Nc1ccc(O)c(F)c1 ZINC000396472689 775932690 /nfs/dbraw/zinc/93/26/90/775932690.db2.gz PRHKZWCCOOAUEW-UHFFFAOYSA-N 0 0 299.298 2.612 20 10 CFCDRN COc1ccc(O)c(CNc2cccc(CCO)c2)c1 ZINC000313180214 776236404 /nfs/dbraw/zinc/23/64/04/776236404.db2.gz HONPKZYWOCQVSF-UHFFFAOYSA-N 0 0 273.332 2.548 20 10 CFCDRN C[C@@H](Oc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC001227939406 776334930 /nfs/dbraw/zinc/33/49/30/776334930.db2.gz VDMHIAMOARMJIP-LLVKDONJSA-N 0 0 265.353 2.862 20 10 CFCDRN CC(C)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228115753 776399747 /nfs/dbraw/zinc/39/97/47/776399747.db2.gz QJUHUNRJVPDLFN-UHFFFAOYSA-N 0 0 288.299 2.822 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)c1ccccc1 ZINC001161594070 776893063 /nfs/dbraw/zinc/89/30/63/776893063.db2.gz OBOYQDKHFYRFLX-UHFFFAOYSA-N 0 0 289.718 2.545 20 10 CFCDRN CC(C)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1 ZINC001231342042 777196028 /nfs/dbraw/zinc/19/60/28/777196028.db2.gz TVVBVAKEKTVSPN-UHFFFAOYSA-N 0 0 288.299 2.822 20 10 CFCDRN C[C@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446116 777221037 /nfs/dbraw/zinc/22/10/37/777221037.db2.gz DMKHZPYYNDQPSV-NSHDSACASA-N 0 0 263.337 2.712 20 10 CFCDRN O=C([O-])c1ccc(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC001231449219 777222042 /nfs/dbraw/zinc/22/20/42/777222042.db2.gz HAGHKMAMMIHJPB-UHFFFAOYSA-N 0 0 289.356 2.710 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)CCC1(F)F ZINC001231560390 777259767 /nfs/dbraw/zinc/25/97/67/777259767.db2.gz IHFPUCITOXSGKD-SECBINFHSA-N 0 0 285.290 2.568 20 10 CFCDRN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC(C)C ZINC001231567115 777260593 /nfs/dbraw/zinc/26/05/93/777260593.db2.gz VNYDZBVSLDPFEN-UHFFFAOYSA-N 0 0 265.353 2.958 20 10 CFCDRN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231564087 777260725 /nfs/dbraw/zinc/26/07/25/777260725.db2.gz HYOIERIYCPMRQM-WDEREUQCSA-N 0 0 263.337 2.711 20 10 CFCDRN C[C@@H]1CCCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231564094 777261153 /nfs/dbraw/zinc/26/11/53/777261153.db2.gz OCOTVJPWTULYGT-LLVKDONJSA-N 0 0 263.337 2.855 20 10 CFCDRN C[C@H]1C[C@H](C)C[NH+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564869 777261461 /nfs/dbraw/zinc/26/14/61/777261461.db2.gz JDCLDNFEIWHYHO-QWRGUYRKSA-N 0 0 263.337 2.568 20 10 CFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCCCCCC2)c1 ZINC001231564136 777262105 /nfs/dbraw/zinc/26/21/05/777262105.db2.gz IFBFGRUQTVVTKJ-UHFFFAOYSA-N 0 0 263.337 2.857 20 10 CFCDRN CN(Cc1ncccn1)Cc1c(O)ccc2ccccc21 ZINC001231588235 777269924 /nfs/dbraw/zinc/26/99/24/777269924.db2.gz NSPVATJNZQICNZ-UHFFFAOYSA-N 0 0 279.343 2.967 20 10 CFCDRN COc1cc(CN2Cc3ccccc3C2)c(O)cc1O ZINC001231635465 777286995 /nfs/dbraw/zinc/28/69/95/777286995.db2.gz ZYKLXJOSKFCNHP-UHFFFAOYSA-N 0 0 271.316 2.622 20 10 CFCDRN Cc1cc(C)c(CN2CC(Oc3cccnc3)C2)c(O)c1 ZINC001231843906 777346975 /nfs/dbraw/zinc/34/69/75/777346975.db2.gz CQRDUSMAVRHQMZ-UHFFFAOYSA-N 0 0 284.359 2.667 20 10 CFCDRN Cc1cc(O)c(CN2CCC(=O)CC2)cc1Cl ZINC001231867036 777357772 /nfs/dbraw/zinc/35/77/72/777357772.db2.gz HAOOGHOGVIVHSW-UHFFFAOYSA-N 0 0 253.729 2.519 20 10 CFCDRN COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)c(C)cc1O ZINC001231870275 777358799 /nfs/dbraw/zinc/35/87/99/777358799.db2.gz RCFFSSYRLWVNJM-AWEZNQCLSA-N 0 0 299.798 2.983 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231911003 777362278 /nfs/dbraw/zinc/36/22/78/777362278.db2.gz YEDZPQBHLAOXDV-NHCYSSNCSA-N 0 0 255.720 2.835 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1O ZINC001231909353 777378314 /nfs/dbraw/zinc/37/83/14/777378314.db2.gz KAQFBPWIXWFQPP-ZWNOBZJWSA-N 0 0 269.772 2.638 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1CO ZINC001231909410 777378578 /nfs/dbraw/zinc/37/85/78/777378578.db2.gz MSYPFZKRMBWFJK-GXFFZTMASA-N 0 0 269.772 2.638 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCC[C@H]1O ZINC001231909761 777381046 /nfs/dbraw/zinc/38/10/46/777381046.db2.gz IINONVNTTJXBDV-ZWNOBZJWSA-N 0 0 269.772 2.638 20 10 CFCDRN Clc1cc(CN2CCCCO2)ccc1N1CCOCC1 ZINC001232198647 777467627 /nfs/dbraw/zinc/46/76/27/777467627.db2.gz ZISWSRKWVZZAED-UHFFFAOYSA-N 0 0 296.798 2.704 20 10 CFCDRN COc1cc(O)c(CN2C[C@@H](F)C[C@H]2CF)cc1Cl ZINC001232267116 777499598 /nfs/dbraw/zinc/49/95/98/777499598.db2.gz WUEIBMRFBGDVAR-UWVGGRQHSA-N 0 0 291.725 2.936 20 10 CFCDRN CC[C@@]12C[C@@H](CO1)N(Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232267420 777499663 /nfs/dbraw/zinc/49/96/63/777499663.db2.gz BQEAJTGAUFSNJY-NHYWBVRUSA-N 0 0 297.782 2.808 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)cc1Cl ZINC001232269443 777501190 /nfs/dbraw/zinc/50/11/90/777501190.db2.gz AQIZELUJGIPYKZ-LLVKDONJSA-N 0 0 299.798 2.649 20 10 CFCDRN C[N@H+](CCc1cccnc1)Cc1cc(Cl)c(O)cc1O ZINC001232268732 777501856 /nfs/dbraw/zinc/50/18/56/777501856.db2.gz QOIOSKMHFGHYSJ-UHFFFAOYSA-N 0 0 292.766 2.821 20 10 CFCDRN COc1ccc(CN(C)c2cccc(O)c2)c(O)c1OC ZINC000895475711 777727170 /nfs/dbraw/zinc/72/71/70/777727170.db2.gz MAJUNRQXIBILFH-UHFFFAOYSA-N 0 0 289.331 2.751 20 10 CFCDRN Cc1cccc2c1CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233009833 777761745 /nfs/dbraw/zinc/76/17/45/777761745.db2.gz DAFGZTWLNHYWJJ-UHFFFAOYSA-N 0 0 285.343 2.670 20 10 CFCDRN C[C@@H]1c2ccccc2CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233010202 777762180 /nfs/dbraw/zinc/76/21/80/777762180.db2.gz NIDKQAAQTDDTHH-LLVKDONJSA-N 0 0 285.343 2.923 20 10 CFCDRN Oc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc(O)c1O ZINC001233017029 777765588 /nfs/dbraw/zinc/76/55/88/777765588.db2.gz QOHPKNJPDPUZLP-VXGBXAGGSA-N 0 0 263.337 2.568 20 10 CFCDRN CCN(Cc1cccc(F)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233015788 777766068 /nfs/dbraw/zinc/76/60/68/777766068.db2.gz AWAFRJKAJRMQLL-UHFFFAOYSA-N 0 0 291.322 2.965 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc(F)c1F ZINC001233075990 777787175 /nfs/dbraw/zinc/78/71/75/777787175.db2.gz HVDSMAOAEWUEQO-HNNXBMFYSA-N 0 0 283.318 2.673 20 10 CFCDRN [O-]c1c(C[N@@H+]2CCCC[C@H](F)C2)ccc(F)c1F ZINC001233073671 777788409 /nfs/dbraw/zinc/78/84/09/777788409.db2.gz BTJAMRGZJZVHRT-JTQLQIEISA-N 0 0 259.271 2.994 20 10 CFCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC001233078410 777789882 /nfs/dbraw/zinc/78/98/82/777789882.db2.gz VDMHKZLUWABRLV-UHFFFAOYSA-N 0 0 293.317 2.704 20 10 CFCDRN CC[N@H+](C)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079943 777790112 /nfs/dbraw/zinc/79/01/12/777790112.db2.gz OBLXBTFJJZKTQT-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CCCC(=O)C2)c1 ZINC001233286302 777866347 /nfs/dbraw/zinc/86/63/47/777866347.db2.gz NYTNDACFMVTKON-UHFFFAOYSA-N 0 0 261.365 2.855 20 10 CFCDRN Cn1cnc2c1CCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233287157 777867815 /nfs/dbraw/zinc/86/78/15/777867815.db2.gz YTTFRJNLJLUZOF-UHFFFAOYSA-N 0 0 299.418 2.982 20 10 CFCDRN CCOC(=O)[C@H]1CCCCN1Cc1c(O)ccc(F)c1F ZINC001233335174 777892917 /nfs/dbraw/zinc/89/29/17/777892917.db2.gz KGMRIRVMBSKXTN-GFCCVEGCSA-N 0 0 299.317 2.588 20 10 CFCDRN CC(=O)[C@H]1CCCCN1Cc1c(O)ccc(F)c1F ZINC001233336023 777897277 /nfs/dbraw/zinc/89/72/77/777897277.db2.gz VQFOONRTCZUHOH-GFCCVEGCSA-N 0 0 269.291 2.614 20 10 CFCDRN Oc1c(CN2CC[C@H](F)C2)cccc1C(F)(F)F ZINC001233415731 777943733 /nfs/dbraw/zinc/94/37/33/777943733.db2.gz GXXPBPJRVSVFOT-VIFPVBQESA-N 0 0 263.234 2.955 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418561 777943873 /nfs/dbraw/zinc/94/38/73/777943873.db2.gz LYMIBOLWDCEOKG-CYBMUJFWSA-N 0 0 289.297 2.758 20 10 CFCDRN [O-]c1c(C[N@@H+]2CC[C@@]23CCOC3)cccc1C(F)(F)F ZINC001233418954 777944540 /nfs/dbraw/zinc/94/45/40/777944540.db2.gz CZHLSTRDCGBPSF-ZDUSSCGKSA-N 0 0 287.281 2.776 20 10 CFCDRN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233452095 777957320 /nfs/dbraw/zinc/95/73/20/777957320.db2.gz KPOZKTKZHZCKJN-SECBINFHSA-N 0 0 275.270 2.632 20 10 CFCDRN Oc1cc(C(F)(F)F)ccc1CN1CCOCC12CC2 ZINC001233455152 777959262 /nfs/dbraw/zinc/95/92/62/777959262.db2.gz YMSYDJVCEYXSGE-UHFFFAOYSA-N 0 0 287.281 2.776 20 10 CFCDRN CN(Cc1cc(O)c(O)cc1O)Cc1ccccc1F ZINC001233485191 777963816 /nfs/dbraw/zinc/96/38/16/777963816.db2.gz MGYXMWMSDBIWIM-UHFFFAOYSA-N 0 0 277.295 2.575 20 10 CFCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(O)c(O)cc1O ZINC001233486449 777963876 /nfs/dbraw/zinc/96/38/76/777963876.db2.gz NKTFTIMRSUKGBZ-UHFFFAOYSA-N 0 0 291.322 2.965 20 10 CFCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486384 777964259 /nfs/dbraw/zinc/96/42/59/777964259.db2.gz LIRJDSCWUZRSJL-LLVKDONJSA-N 0 0 285.343 2.750 20 10 CFCDRN CCN1CCc2cc(O[C@H]3CCOC[C@@H]3C)ccc21 ZINC001233602698 778009041 /nfs/dbraw/zinc/00/90/41/778009041.db2.gz ZTHGGESQSRODBD-LRDDRELGSA-N 0 0 261.365 2.873 20 10 CFCDRN Oc1c(CN2CCCCO2)cccc1OC(F)(F)F ZINC001233727902 778055695 /nfs/dbraw/zinc/05/56/95/778055695.db2.gz REKOGJORPHWCPF-UHFFFAOYSA-N 0 0 277.242 2.818 20 10 CFCDRN Oc1c(CN2CC(F)(F)C2)cccc1OC(F)(F)F ZINC001233728222 778056817 /nfs/dbraw/zinc/05/68/17/778056817.db2.gz ULYVMTHZGYIFKF-UHFFFAOYSA-N 0 0 283.196 2.742 20 10 CFCDRN COc1ccnc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000029625225 778148500 /nfs/dbraw/zinc/14/85/00/778148500.db2.gz HXJXCAFJJWLCIX-UHFFFAOYSA-N 0 0 284.363 2.698 20 10 CFCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C)O ZINC000387386066 778233109 /nfs/dbraw/zinc/23/31/09/778233109.db2.gz ZEMALJJVGZEWDX-HQJQHLMTSA-N 0 0 278.179 2.948 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCC[C@@H]1F ZINC001234475358 778233430 /nfs/dbraw/zinc/23/34/30/778233430.db2.gz GGCLGXCPAGNUOZ-GXFFZTMASA-N 0 0 268.284 2.960 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ncccc1F ZINC001234475343 778233583 /nfs/dbraw/zinc/23/35/83/778233583.db2.gz FUQKIQKLCJKLSH-SECBINFHSA-N 0 0 291.278 2.975 20 10 CFCDRN C[C@H]1CC[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC001235057771 778368778 /nfs/dbraw/zinc/36/87/78/778368778.db2.gz SQCKETVIAYUYSS-ZETCQYMHSA-N 0 0 274.133 2.888 20 10 CFCDRN CCOC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)c[nH]1 ZINC001234948329 778337556 /nfs/dbraw/zinc/33/75/56/778337556.db2.gz BXCRPBBEMJRIKY-UHFFFAOYSA-N 0 0 288.347 2.529 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@@]1(C)O ZINC001142509087 778395488 /nfs/dbraw/zinc/39/54/88/778395488.db2.gz WMLXUMUXOPPASY-MEBBXXQBSA-N 0 0 285.334 2.653 20 10 CFCDRN C[C@]1(F)CCN(Cc2cc(F)c(F)cc2O)C[C@@H]1F ZINC001142509117 778395532 /nfs/dbraw/zinc/39/55/32/778395532.db2.gz XGTPDWGEADFLCZ-STQMWFEESA-N 0 0 277.261 2.942 20 10 CFCDRN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142520183 778398706 /nfs/dbraw/zinc/39/87/06/778398706.db2.gz CRUZOHOCBWBCMO-XAGWURHQSA-N 0 0 297.345 2.917 20 10 CFCDRN Oc1c(CN2CCC[C@H]3[NH2+]C[C@@H]32)cccc1-c1ccccc1 ZINC001235303291 778450269 /nfs/dbraw/zinc/45/02/69/778450269.db2.gz KMJLCXOHCVIDJF-MSOLQXFVSA-N 0 0 294.398 2.995 20 10 CFCDRN CN(C)c1ccc(CN(C)Cc2ncc(Cl)cn2)cc1 ZINC001235420828 778486039 /nfs/dbraw/zinc/48/60/39/778486039.db2.gz HYLJVIAHQASIKL-UHFFFAOYSA-N 0 0 290.798 2.828 20 10 CFCDRN Cc1cc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1Cl ZINC001235450702 778493878 /nfs/dbraw/zinc/49/38/78/778493878.db2.gz UYZUYYMTJKMOAO-WDEREUQCSA-N 0 0 268.788 2.536 20 10 CFCDRN Nc1ccc(CN2CC(Oc3ccc(F)c(F)c3)C2)cc1 ZINC001235705725 778543828 /nfs/dbraw/zinc/54/38/28/778543828.db2.gz OTVZSKHUHBJCSS-UHFFFAOYSA-N 0 0 290.313 2.810 20 10 CFCDRN COc1cc(NCc2cc3c(cc2O)OCO3)ccc1F ZINC000159963367 778588631 /nfs/dbraw/zinc/58/86/31/778588631.db2.gz QODCERXJVMEJIH-UHFFFAOYSA-N 0 0 291.278 2.881 20 10 CFCDRN C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001236104510 778695739 /nfs/dbraw/zinc/69/57/39/778695739.db2.gz LIBMGWNTIYZLPI-RKDXNWHRSA-N 0 0 289.206 2.881 20 10 CFCDRN CCCC[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CC[NH2+]1 ZINC001236139572 778712418 /nfs/dbraw/zinc/71/24/18/778712418.db2.gz NZVLCQSILDOZMM-NSHDSACASA-N 0 0 284.350 2.634 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236224736 778745878 /nfs/dbraw/zinc/74/58/78/778745878.db2.gz YIURZVARGDDVGG-ZDUSSCGKSA-N 0 0 298.789 2.901 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236791742 778937496 /nfs/dbraw/zinc/93/74/96/778937496.db2.gz JNRDULUBGWYTQP-KRWDZBQOSA-N 0 0 289.375 2.626 20 10 CFCDRN COc1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c([O-])c1Cl ZINC001236800605 778942797 /nfs/dbraw/zinc/94/27/97/778942797.db2.gz BCBDRFJAIDAWNB-HNNXBMFYSA-N 0 0 299.798 2.791 20 10 CFCDRN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1Cl ZINC001236800733 778942892 /nfs/dbraw/zinc/94/28/92/778942892.db2.gz FCZYUDOBYYBLBN-CMPLNLGQSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([O-])c1Cl ZINC001236801075 778943812 /nfs/dbraw/zinc/94/38/12/778943812.db2.gz FGRGXUVDZKQVNB-OAHLLOKOSA-N 0 0 299.798 2.791 20 10 CFCDRN COCC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236804373 778944820 /nfs/dbraw/zinc/94/48/20/778944820.db2.gz YLLDMIZPVUGTPO-UHFFFAOYSA-N 0 0 299.798 2.913 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1Cl ZINC001236801996 778944954 /nfs/dbraw/zinc/94/49/54/778944954.db2.gz MIICDLCVQCKSIS-ZYHUDNBSSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(O)c(CN(C)Cc2ccno2)c(Cl)c1 ZINC001236808958 778946440 /nfs/dbraw/zinc/94/64/40/778946440.db2.gz SDYZLLYNHUCFME-UHFFFAOYSA-N 0 0 282.727 2.674 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c([O-])c1Cl ZINC001236811770 778948098 /nfs/dbraw/zinc/94/80/98/778948098.db2.gz ONJBPHJKTGLIJL-LLVKDONJSA-N 0 0 299.798 2.649 20 10 CFCDRN COC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236808414 778948111 /nfs/dbraw/zinc/94/81/11/778948111.db2.gz PBFFSVCGJOURBZ-ZDUSSCGKSA-N 0 0 279.380 2.710 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC(=O)C(C)(C)C2)c(O)c1 ZINC001236810484 778948460 /nfs/dbraw/zinc/94/84/60/778948460.db2.gz HTMWZLNXXVWHOM-UHFFFAOYSA-N 0 0 277.364 2.510 20 10 CFCDRN COc1cc(C)c(C[N@@H+]2CCC[C@](C)(CO)CC2)c(O)c1 ZINC001236808084 778949238 /nfs/dbraw/zinc/94/92/38/778949238.db2.gz LYTIXPIDTNMWFA-KRWDZBQOSA-N 0 0 293.407 2.694 20 10 CFCDRN Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CCOC2 ZINC001236826173 778955308 /nfs/dbraw/zinc/95/53/08/778955308.db2.gz HRDKWHVZLDPOAW-UHFFFAOYSA-N 0 0 269.344 2.768 20 10 CFCDRN Oc1cc2ccccc2cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001236828085 778956560 /nfs/dbraw/zinc/95/65/60/778956560.db2.gz ZTFNLDGKBZTHOF-MRXNPFEDSA-N 0 0 271.360 2.892 20 10 CFCDRN C[C@]1(O)CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236828054 778956943 /nfs/dbraw/zinc/95/69/43/778956943.db2.gz ZCNQXTUHSSFHCR-INIZCTEOSA-N 0 0 257.333 2.502 20 10 CFCDRN Oc1cc2ccccc2cc1CN1CCn2nccc2C1 ZINC001236837132 778960528 /nfs/dbraw/zinc/96/05/28/778960528.db2.gz PBOSJVWNDWFVEA-UHFFFAOYSA-N 0 0 279.343 2.758 20 10 CFCDRN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001237048965 778998492 /nfs/dbraw/zinc/99/84/92/778998492.db2.gz KHXWSEFPCBKQOJ-GOEBONIOSA-N 0 0 261.365 2.736 20 10 CFCDRN CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001237050193 778999869 /nfs/dbraw/zinc/99/98/69/778999869.db2.gz SALQRQHQSMJEBF-DYVFJYSZSA-N 0 0 293.407 2.774 20 10 CFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC[C@H](F)[C@H](O)C1 ZINC001237078847 779003953 /nfs/dbraw/zinc/00/39/53/779003953.db2.gz YNZNHPVSZZCFFJ-GXSJLCMTSA-N 0 0 294.153 2.604 20 10 CFCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001237080881 779006835 /nfs/dbraw/zinc/00/68/35/779006835.db2.gz GWZIENSICJOBAU-MRVPVSSYSA-N 0 0 276.163 2.513 20 10 CFCDRN Oc1ccc(F)c(Cl)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237124535 779019090 /nfs/dbraw/zinc/01/90/90/779019090.db2.gz NHJRFUJQBSLREP-NSHDSACASA-N 0 0 298.789 2.855 20 10 CFCDRN CCN(Cc1c(O)cccc1OC(F)(F)F)C1COC1 ZINC001237122722 779019913 /nfs/dbraw/zinc/01/99/13/779019913.db2.gz LDSSEGTXQJZSQH-UHFFFAOYSA-N 0 0 291.269 2.512 20 10 CFCDRN Oc1ccc(C(F)(F)F)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237137097 779023346 /nfs/dbraw/zinc/02/33/46/779023346.db2.gz LSWXUGIWOTYIFX-AOOOYVTPSA-N 0 0 281.224 2.903 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141522 779024949 /nfs/dbraw/zinc/02/49/49/779024949.db2.gz YAGSIZHIBAZGTP-ZDUSSCGKSA-N 0 0 289.297 2.758 20 10 CFCDRN C[C@]1(CO)CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415876 779041602 /nfs/dbraw/zinc/04/16/02/779041602.db2.gz LWNGZEWJWAJJLL-ZDUSSCGKSA-N 0 0 289.297 2.615 20 10 CFCDRN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698929144 779103915 /nfs/dbraw/zinc/10/39/15/779103915.db2.gz PAFYMRWDOPWBNC-XPTSAGLGSA-N 0 0 289.297 2.776 20 10 CFCDRN COC(=O)Cc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001237489101 779119007 /nfs/dbraw/zinc/11/90/07/779119007.db2.gz YVAFBJYRRRRZAJ-UHFFFAOYSA-N 0 0 299.370 2.740 20 10 CFCDRN COc1csc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000176438364 779144264 /nfs/dbraw/zinc/14/42/64/779144264.db2.gz AERNKTMHJJIFTN-UHFFFAOYSA-N 0 0 290.388 2.753 20 10 CFCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1CO ZINC001237618398 779146091 /nfs/dbraw/zinc/14/60/91/779146091.db2.gz ZSLDZUHZBBYQLE-TVQRCGJNSA-N 0 0 287.762 2.778 20 10 CFCDRN CSCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237624119 779146863 /nfs/dbraw/zinc/14/68/63/779146863.db2.gz YZDDHYAAZMNSQX-UHFFFAOYSA-N 0 0 263.765 2.980 20 10 CFCDRN Cc1cc(O)c(CN2CC(F)C2)cc1Br ZINC001237678179 779159869 /nfs/dbraw/zinc/15/98/69/779159869.db2.gz VTHJDZXQANMLHG-UHFFFAOYSA-N 0 0 274.133 2.617 20 10 CFCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001237680766 779159933 /nfs/dbraw/zinc/15/99/33/779159933.db2.gz HDGHMDOXNZPIEW-CYBMUJFWSA-N 0 0 269.772 2.701 20 10 CFCDRN CC[NH+]1C[C@@H]2CN(Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237804135 779183130 /nfs/dbraw/zinc/18/31/30/779183130.db2.gz XYFGSGYRQNDYBJ-VXGBXAGGSA-N 0 0 298.789 2.568 20 10 CFCDRN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)C1 ZINC001237806265 779183297 /nfs/dbraw/zinc/18/32/97/779183297.db2.gz SHABWIKAUDUWTJ-OAHLLOKOSA-N 0 0 298.789 2.712 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC001237802730 779183494 /nfs/dbraw/zinc/18/34/94/779183494.db2.gz OGRPIHRVHKFPMN-LLVKDONJSA-N 0 0 273.735 2.796 20 10 CFCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC001237807477 779184529 /nfs/dbraw/zinc/18/45/29/779184529.db2.gz KBJXVMSCXNDNNJ-HAQNSBGRSA-N 0 0 287.762 2.920 20 10 CFCDRN Cc1nc(CC[N@@H+](C)Cc2cc(F)cc(Cl)c2[O-])no1 ZINC001237807520 779184575 /nfs/dbraw/zinc/18/45/75/779184575.db2.gz LBGFDUSNJGUUEU-UHFFFAOYSA-N 0 0 299.733 2.551 20 10 CFCDRN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809198 779185995 /nfs/dbraw/zinc/18/59/95/779185995.db2.gz ZZKOMHMKXUBYKG-NXEZZACHSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001237933649 779209214 /nfs/dbraw/zinc/20/92/14/779209214.db2.gz FJCFQTYAVPHAJY-LKFCYVNXSA-N 0 0 287.762 2.778 20 10 CFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C[C@@]1(C)O ZINC001237933625 779209734 /nfs/dbraw/zinc/20/97/34/779209734.db2.gz FBXVFEAFAZPCRC-YMTOWFKASA-N 0 0 287.762 2.778 20 10 CFCDRN CC(C)(C)c1ccc(CN2CCC23COC3)c(O)c1 ZINC001235683363 779369003 /nfs/dbraw/zinc/36/90/03/779369003.db2.gz DTXMADUMFLXEEI-UHFFFAOYSA-N 0 0 261.365 2.664 20 10 CFCDRN Cn1ccc2ncc(-c3cnn(Cc4ccncc4)c3)cc21 ZINC001239051911 779452930 /nfs/dbraw/zinc/45/29/30/779452930.db2.gz PAAMVKABKRRQGQ-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN COCCn1ccc(-c2ccn(C(C)C)c2)cc1=O ZINC001239078988 779457901 /nfs/dbraw/zinc/45/79/01/779457901.db2.gz MZOUUSMRTYGJGC-UHFFFAOYSA-N 0 0 260.337 2.544 20 10 CFCDRN COC(=O)[C@H](C)N(C)Cc1cc(Cl)c(Cl)cc1O ZINC001236795495 779638885 /nfs/dbraw/zinc/63/88/85/779638885.db2.gz FHDYWYNDVOMEDE-ZETCQYMHSA-N 0 0 292.162 2.692 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCCC(=O)[C@@H](F)C2)c1O ZINC001237680375 779706354 /nfs/dbraw/zinc/70/63/54/779706354.db2.gz AJPCFCIWLXLHJB-LBPRGKRZSA-N 0 0 285.746 2.857 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001237949428 779726863 /nfs/dbraw/zinc/72/68/63/779726863.db2.gz LRLLIGUYXFIBEU-ONGXEEELSA-N 0 0 285.746 2.653 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237950269 779727007 /nfs/dbraw/zinc/72/70/07/779727007.db2.gz RFPRKLSFWWXJBT-XPTSAGLGSA-N 0 0 285.746 2.796 20 10 CFCDRN COc1ncccc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001239859082 779826854 /nfs/dbraw/zinc/82/68/54/779826854.db2.gz FMAIPHOJXPYFOO-UHFFFAOYSA-N 0 0 292.338 2.967 20 10 CFCDRN COc1ccc(Cl)c(-c2noc(-c3csnn3)n2)c1 ZINC001212364574 779998159 /nfs/dbraw/zinc/99/81/59/779998159.db2.gz UNQVJLGOOBUIFJ-UHFFFAOYSA-N 0 0 294.723 2.917 20 10 CFCDRN COC(=O)c1cnc(-c2cncc(F)c2)c2ccn(C)c21 ZINC001240233784 780016662 /nfs/dbraw/zinc/01/66/62/780016662.db2.gz XBDQJWXABILOPM-UHFFFAOYSA-N 0 0 285.278 2.561 20 10 CFCDRN Cc1snnc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001212405007 780094243 /nfs/dbraw/zinc/09/42/43/780094243.db2.gz DJKLEDLZXMKRRT-UHFFFAOYSA-N 0 0 285.332 2.836 20 10 CFCDRN COCc1cccc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405594 780094846 /nfs/dbraw/zinc/09/48/46/780094846.db2.gz XPCYPILBXBKWCZ-UHFFFAOYSA-N 0 0 288.332 2.710 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC001212404879 780095158 /nfs/dbraw/zinc/09/51/58/780095158.db2.gz ARHOYUTUNKAQHV-UHFFFAOYSA-N 0 0 280.259 2.842 20 10 CFCDRN COc1cccc([C@@H]2NC(=O)c3cccc(C)c3N2)c1O ZINC000027578098 780126761 /nfs/dbraw/zinc/12/67/61/780126761.db2.gz HROMRFYWAUGZJL-HNNXBMFYSA-N 0 0 284.315 2.563 20 10 CFCDRN Cn1c(=O)cc(-c2cnn(CC3CC3)c2)c2ccccc21 ZINC001240517551 780225208 /nfs/dbraw/zinc/22/52/08/780225208.db2.gz VQQCOTDQXPSNFF-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN COC(=O)c1cc2ccc(-c3c[nH]nc3C)cc2n1C ZINC001240520888 780227960 /nfs/dbraw/zinc/22/79/60/780227960.db2.gz DVSMRWDSQFEMDR-UHFFFAOYSA-N 0 0 269.304 2.663 20 10 CFCDRN CCOC(=O)c1cnc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240570520 780263884 /nfs/dbraw/zinc/26/38/84/780263884.db2.gz LJAGESCWBMNLST-UHFFFAOYSA-N 0 0 281.315 2.812 20 10 CFCDRN CCOC(=O)Cc1ncncc1-c1ccc2ccn(C)c2c1 ZINC001240574739 780266424 /nfs/dbraw/zinc/26/64/24/780266424.db2.gz AKMLQYUCWRAKIU-UHFFFAOYSA-N 0 0 295.342 2.741 20 10 CFCDRN COC(OC)c1nccnc1-c1ccc2ccn(C)c2c1 ZINC001240572791 780266448 /nfs/dbraw/zinc/26/64/48/780266448.db2.gz VYDKEPDXOQNQSK-UHFFFAOYSA-N 0 0 283.331 2.927 20 10 CFCDRN CON(C)C(=O)c1ncccc1-c1ccc2ccn(C)c2c1 ZINC001240575775 780266799 /nfs/dbraw/zinc/26/67/99/780266799.db2.gz BUGDGXCBACBJSU-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2cc(=O)n(C)c3ccccc23)cn1 ZINC001240757805 780420730 /nfs/dbraw/zinc/42/07/30/780420730.db2.gz CHQGDINNADHDTR-LBPRGKRZSA-N 0 0 297.358 2.957 20 10 CFCDRN Cc1cncc(-c2cc(=O)n(C)c3ccccc23)c1 ZINC001240806058 780457376 /nfs/dbraw/zinc/45/73/76/780457376.db2.gz KIUOJOWFDNKFCW-UHFFFAOYSA-N 0 0 250.301 2.909 20 10 CFCDRN Cn1ccc(-c2nccc3c4c([nH]c32)CCCC4)cc1=O ZINC001240984086 780571212 /nfs/dbraw/zinc/57/12/12/780571212.db2.gz VTTMTQNYMFLKQH-UHFFFAOYSA-N 0 0 279.343 2.807 20 10 CFCDRN COc1ccc2ncc(-c3ccn(C)c(=O)c3)cc2c1 ZINC001240988240 780575025 /nfs/dbraw/zinc/57/50/25/780575025.db2.gz AOKKTTVEZOMSKB-UHFFFAOYSA-N 0 0 266.300 2.609 20 10 CFCDRN Cn1ccc(-c2ccc(OCC3CCC3)nc2)cc1=O ZINC001240989153 780576337 /nfs/dbraw/zinc/57/63/37/780576337.db2.gz PUEHJDSZEMPYDT-UHFFFAOYSA-N 0 0 270.332 2.626 20 10 CFCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000701267120 780782598 /nfs/dbraw/zinc/78/25/98/780782598.db2.gz RIGCETRSIGYEBT-UHFFFAOYSA-N 0 0 298.386 2.839 20 10 CFCDRN CCOC(=O)Cc1cccc(Nc2cccc(O)c2O)c1 ZINC001212526412 780934011 /nfs/dbraw/zinc/93/40/11/780934011.db2.gz BNNJQGKRLFAQGP-UHFFFAOYSA-N 0 0 287.315 2.947 20 10 CFCDRN COc1ccc(-c2cc(=O)n(C)c3ccccc23)c(OC)n1 ZINC001241579153 780995354 /nfs/dbraw/zinc/99/53/54/780995354.db2.gz LCADDTLQXFJLQN-UHFFFAOYSA-N 0 0 296.326 2.618 20 10 CFCDRN [O-]c1c(C[NH2+]CCC[C@@H]2CCOC2)ccc(F)c1F ZINC000703229032 780999034 /nfs/dbraw/zinc/99/90/34/780999034.db2.gz GAZQCHRMVFIGGB-SNVBAGLBSA-N 0 0 271.307 2.577 20 10 CFCDRN Cc1ccc(CC[NH2+]Cc2ccc(F)c(F)c2[O-])nc1 ZINC000703235407 781000580 /nfs/dbraw/zinc/00/05/80/781000580.db2.gz ZFOZFCDRHWVXHC-UHFFFAOYSA-N 0 0 278.302 2.706 20 10 CFCDRN CCC(CC)(C[NH2+]Cc1ccc(F)c(F)c1[O-])OC ZINC000703260821 781001402 /nfs/dbraw/zinc/00/14/02/781001402.db2.gz LFUIRWIUXHBHJK-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cscn1 ZINC000703286717 781003680 /nfs/dbraw/zinc/00/36/80/781003680.db2.gz PXTSOEFKVCUWHA-ZETCQYMHSA-N 0 0 270.304 2.978 20 10 CFCDRN CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703258441 781005426 /nfs/dbraw/zinc/00/54/26/781005426.db2.gz SLEMDPGTNVVPIO-UHFFFAOYSA-N 0 0 273.323 2.557 20 10 CFCDRN CCc1cnc(C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703330047 781006139 /nfs/dbraw/zinc/00/61/39/781006139.db2.gz UWYSOHBPWBOBPF-UHFFFAOYSA-N 0 0 284.331 2.979 20 10 CFCDRN CC(F)(F)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703329557 781006740 /nfs/dbraw/zinc/00/67/40/781006740.db2.gz RKJBXEQMGAJAEP-UHFFFAOYSA-N 0 0 251.223 2.805 20 10 CFCDRN CO[C@@]1(C)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703543428 781025353 /nfs/dbraw/zinc/02/53/53/781025353.db2.gz UNOKLIHQBVYSHG-AWEZNQCLSA-N 0 0 271.307 2.671 20 10 CFCDRN CO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000703539422 781026098 /nfs/dbraw/zinc/02/60/98/781026098.db2.gz BLODUSIKVIQQOJ-ONGXEEELSA-N 0 0 271.307 2.670 20 10 CFCDRN CCOc1ccc(-c2ncnc3c2ccn3CCOC)cn1 ZINC001241701317 781080588 /nfs/dbraw/zinc/08/05/88/781080588.db2.gz BSIDRZVWDVQHNU-UHFFFAOYSA-N 0 0 298.346 2.538 20 10 CFCDRN CCn1ccc(-c2cnn(-c3ccccc3)c2)cc1=O ZINC001241757436 781114215 /nfs/dbraw/zinc/11/42/15/781114215.db2.gz RHVJIROXIQEVDI-UHFFFAOYSA-N 0 0 265.316 2.721 20 10 CFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000705567140 781142407 /nfs/dbraw/zinc/14/24/07/781142407.db2.gz RSKKYMBNPOCNPE-SECBINFHSA-N 0 0 275.270 2.939 20 10 CFCDRN CN(C)c1cnc(-c2cccc3c2ccn3C)cn1 ZINC001241820009 781143092 /nfs/dbraw/zinc/14/30/92/781143092.db2.gz IQIIFUUBBZSRAJ-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN CC(C)n1ncc(-c2cccc3c2ccn3C)cc1=O ZINC001241823481 781144428 /nfs/dbraw/zinc/14/44/28/781144428.db2.gz QPSZWGFOCLWTTF-UHFFFAOYSA-N 0 0 267.332 2.983 20 10 CFCDRN Cn1ccc2c1cccc2-c1ccc2nccc(=O)n2c1 ZINC001241822845 781144926 /nfs/dbraw/zinc/14/49/26/781144926.db2.gz PSVUZZOCUFKXHG-UHFFFAOYSA-N 0 0 275.311 2.853 20 10 CFCDRN CN(C)c1ncc(-c2cccc3c2ccn3C)cn1 ZINC001241822182 781144986 /nfs/dbraw/zinc/14/49/86/781144986.db2.gz SIBCEZADZXYAEC-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN Oc1cccc(Br)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000707140372 781223554 /nfs/dbraw/zinc/22/35/54/781223554.db2.gz PZEWGMQEPMZFNM-AOOOYVTPSA-N 0 0 298.180 2.518 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2ccnnc2)cn1 ZINC001242056245 781250883 /nfs/dbraw/zinc/25/08/83/781250883.db2.gz ZPEGMYBQXOQYOS-UHFFFAOYSA-N 0 0 250.305 2.946 20 10 CFCDRN COc1ccncc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001242060822 781254179 /nfs/dbraw/zinc/25/41/79/781254179.db2.gz XWGUSQGPGVWTML-UHFFFAOYSA-N 0 0 292.338 2.967 20 10 CFCDRN CC(C)OCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708479931 781265746 /nfs/dbraw/zinc/26/57/46/781265746.db2.gz BPSSOQPGJVVNKQ-UHFFFAOYSA-N 0 0 273.323 2.964 20 10 CFCDRN CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000708399967 781273102 /nfs/dbraw/zinc/27/31/02/781273102.db2.gz MRYPJMGJZKHEHP-WCQYABFASA-N 0 0 283.318 2.527 20 10 CFCDRN CO[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1C ZINC000708413665 781273985 /nfs/dbraw/zinc/27/39/85/781273985.db2.gz MPSIQCXZRNABBI-RNCFNFMXSA-N 0 0 271.307 2.527 20 10 CFCDRN Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])nc1C ZINC000708455146 781275212 /nfs/dbraw/zinc/27/52/12/781275212.db2.gz UIFQCGFJMCAPAL-UHFFFAOYSA-N 0 0 278.302 2.972 20 10 CFCDRN CCc1nnc(NCc2cc(F)cc(F)c2O)s1 ZINC000708465888 781276037 /nfs/dbraw/zinc/27/60/37/781276037.db2.gz LDCMSWCAWQBBKK-UHFFFAOYSA-N 0 0 271.292 2.696 20 10 CFCDRN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000708695540 781277406 /nfs/dbraw/zinc/27/74/06/781277406.db2.gz CAVBILPZOFMRTD-FOGDFJRCSA-N 0 0 253.317 2.607 20 10 CFCDRN Cc1noc(C)c1-c1ccn(Cc2ccncc2)c(=O)c1 ZINC001242108951 781284320 /nfs/dbraw/zinc/28/43/20/781284320.db2.gz SHZPUTAJCYZOHB-UHFFFAOYSA-N 0 0 281.315 2.563 20 10 CFCDRN CC(C)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031052 781288254 /nfs/dbraw/zinc/28/82/54/781288254.db2.gz SNRDDNFUJXZFCS-ZDUSSCGKSA-N 0 0 269.772 2.902 20 10 CFCDRN Cc1noc(C)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708494603 781291082 /nfs/dbraw/zinc/29/10/82/781291082.db2.gz MTXXMCCYEHGACE-UHFFFAOYSA-N 0 0 268.263 2.565 20 10 CFCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCCCC1 ZINC000708558561 781293978 /nfs/dbraw/zinc/29/39/78/781293978.db2.gz JGBCLXOOYXANLP-LLVKDONJSA-N 0 0 284.350 2.634 20 10 CFCDRN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708558925 781294191 /nfs/dbraw/zinc/29/41/91/781294191.db2.gz NNBIKJXSNPKISC-LLVKDONJSA-N 0 0 284.350 2.634 20 10 CFCDRN CC(=O)c1ccc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001242405363 781470447 /nfs/dbraw/zinc/47/04/47/781470447.db2.gz XKSFRXHOBTWCMI-UHFFFAOYSA-N 0 0 268.316 2.523 20 10 CFCDRN O=c1cc(-c2cnn(C(F)(F)F)c2)ccn1CC1CC1 ZINC001242465703 781521303 /nfs/dbraw/zinc/52/13/03/781521303.db2.gz KOSJBQAWOWAHES-UHFFFAOYSA-N 0 0 283.253 2.598 20 10 CFCDRN CN(c1ccccc1)c1cc(-c2cncc(N)c2)ncn1 ZINC001242498874 781546490 /nfs/dbraw/zinc/54/64/90/781546490.db2.gz NZHBBMZIPZXXHU-UHFFFAOYSA-N 0 0 277.331 2.889 20 10 CFCDRN CCc1ncccc1-c1nc(C)nc2c1ccn2C ZINC001242521229 781562141 /nfs/dbraw/zinc/56/21/41/781562141.db2.gz OBGVOQAJHFZCDG-UHFFFAOYSA-N 0 0 252.321 2.901 20 10 CFCDRN CN(C)c1cncc(-c2cnc3ccn(C)c3c2)c1 ZINC001242529636 781571532 /nfs/dbraw/zinc/57/15/32/781571532.db2.gz VBMIAWZNWSJFLG-UHFFFAOYSA-N 0 0 252.321 2.701 20 10 CFCDRN COCc1cncc(-c2ccnc3c2ccn3C)c1 ZINC001242957601 781876417 /nfs/dbraw/zinc/87/64/17/781876417.db2.gz YUKSYHSWMMHIIF-UHFFFAOYSA-N 0 0 253.305 2.782 20 10 CFCDRN Cc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000069913948 346903838 /nfs/dbraw/zinc/90/38/38/346903838.db2.gz ICYVXPSBUCTPOP-UHFFFAOYSA-N 0 0 287.338 2.525 20 10 CFCDRN Cc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000357327659 282218264 /nfs/dbraw/zinc/21/82/64/282218264.db2.gz UDZSKLLRNZHMOA-UHFFFAOYSA-N 0 0 291.358 2.955 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCCC1 ZINC000173188146 282295201 /nfs/dbraw/zinc/29/52/01/282295201.db2.gz BEYMNZHMMWNSJL-UHFFFAOYSA-N 0 0 274.364 2.668 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1=CCCC1 ZINC000120901740 282295285 /nfs/dbraw/zinc/29/52/85/282295285.db2.gz SAUJLCKDWCRUKD-UHFFFAOYSA-N 0 0 272.348 2.588 20 10 CFCDRN COc1cccc(CNC(=O)NCC2CCCCC2)c1O ZINC000073428048 346977579 /nfs/dbraw/zinc/97/75/79/346977579.db2.gz YJLFFURILCQAEZ-UHFFFAOYSA-N 0 0 292.379 2.780 20 10 CFCDRN Cc1cc(O)c(C[NH2+]CC[C@@H](C)CCO)cc1C ZINC000295127471 199358964 /nfs/dbraw/zinc/35/89/64/199358964.db2.gz OARGAGNLTKSPGF-LLVKDONJSA-N 0 0 251.370 2.507 20 10 CFCDRN C[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041405239 346351004 /nfs/dbraw/zinc/35/10/04/346351004.db2.gz NYEULJIEFJWDRE-UKRRQHHQSA-N 0 0 287.407 2.742 20 10 CFCDRN CC(C)COCCCNC(=O)N(C)Cc1ccccc1O ZINC000045158965 346404246 /nfs/dbraw/zinc/40/42/46/346404246.db2.gz YWGAQHGJDCCJCJ-UHFFFAOYSA-N 0 0 294.395 2.596 20 10 CFCDRN COc1ccc(N2CCCN(c3ccccn3)CC2)cc1 ZINC000079950311 347333823 /nfs/dbraw/zinc/33/38/23/347333823.db2.gz LDYSGALZGOLQIJ-UHFFFAOYSA-N 0 0 283.375 2.807 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)C=C2CCC2)cc1 ZINC000087024004 347490008 /nfs/dbraw/zinc/49/00/08/347490008.db2.gz JNLBUCPKMJDIEL-UHFFFAOYSA-N 0 0 258.365 2.821 20 10 CFCDRN COc1ccc(O)c(CNc2nc(C3CC3)ns2)c1 ZINC000092654507 347637340 /nfs/dbraw/zinc/63/73/40/347637340.db2.gz NELYVKXZPRHOIY-UHFFFAOYSA-N 0 0 277.349 2.742 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000092763976 347645737 /nfs/dbraw/zinc/64/57/37/347645737.db2.gz QLQVWPVVYUNNHF-QMMMGPOBSA-N 0 0 276.163 2.513 20 10 CFCDRN Cc1[nH]ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175473440 539868774 /nfs/dbraw/zinc/86/87/74/539868774.db2.gz SOKHAFYFVFTRPU-UHFFFAOYSA-N 0 0 283.375 2.853 20 10 CFCDRN CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(F)cc1[O-] ZINC000287586806 540120360 /nfs/dbraw/zinc/12/03/60/540120360.db2.gz RJSRPPAMFBCRET-RNODOKPDSA-N 0 0 299.411 2.873 20 10 CFCDRN COC(=O)C[N@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000180499206 291082041 /nfs/dbraw/zinc/08/20/41/291082041.db2.gz WTPSSLBKQXUGGN-UHFFFAOYSA-N 0 0 297.782 2.963 20 10 CFCDRN CCCN(CC)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273560441 283172497 /nfs/dbraw/zinc/17/24/97/283172497.db2.gz HYMSWBYIJKMXKI-LBPRGKRZSA-N 0 0 295.383 2.683 20 10 CFCDRN C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(F)c(F)c1[O-] ZINC000296473813 299287901 /nfs/dbraw/zinc/28/79/01/299287901.db2.gz NXDDVWUCANIZBX-VIFPVBQESA-N 0 0 273.323 2.730 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275104240 299379130 /nfs/dbraw/zinc/37/91/30/299379130.db2.gz FFMRRYHKAWEQMR-MISXGVKJSA-N 0 0 294.351 2.502 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000187702316 296131162 /nfs/dbraw/zinc/13/11/62/296131162.db2.gz AZRFBKPUWGICFY-VHSXEESVSA-N 0 0 284.350 2.804 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273613398 296131613 /nfs/dbraw/zinc/13/16/13/296131613.db2.gz WTASXPAODPFTAZ-ZYHUDNBSSA-N 0 0 296.367 2.748 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520491 296164992 /nfs/dbraw/zinc/16/49/92/296164992.db2.gz UCEGPXDHULCEJC-MXWKQRLJSA-N 0 0 280.324 2.519 20 10 CFCDRN CC(=O)c1cc(F)cc(C[N@H+](C)CC2CC2)c1[O-] ZINC000037925928 372737523 /nfs/dbraw/zinc/73/75/23/372737523.db2.gz AZQFIXOPWGDOMV-UHFFFAOYSA-N 0 0 251.301 2.576 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000263664006 383685994 /nfs/dbraw/zinc/68/59/94/383685994.db2.gz AQZDWDLRYBKDQA-WDEREUQCSA-N 0 0 250.342 2.626 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2ccn(C)c2)cc1F ZINC000493006507 246455078 /nfs/dbraw/zinc/45/50/78/246455078.db2.gz PLIUWZAVUILNRU-DAXSKMNVSA-N 0 0 288.322 2.849 20 10 CFCDRN O=C(/C=C\c1cncs1)N1CCC(=O)Nc2ccccc21 ZINC000493425650 246585452 /nfs/dbraw/zinc/58/54/52/246585452.db2.gz DQVZOEFYUQQYCK-WAYWQWQTSA-N 0 0 299.355 2.532 20 10 CFCDRN Cc1ccc(O)c(CNc2cccc(-c3nnnn3C)c2)c1 ZINC000103855363 375758722 /nfs/dbraw/zinc/75/87/22/375758722.db2.gz UUPVAMBLHLYNKT-UHFFFAOYSA-N 0 0 295.346 2.503 20 10 CFCDRN CC[C@H](C)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000113274462 376006336 /nfs/dbraw/zinc/00/63/36/376006336.db2.gz GJNWEOORAZDGNO-ZDUSSCGKSA-N 0 0 298.452 2.560 20 10 CFCDRN Cc1nc(C2(NCc3cc(C)ccc3O)CCCC2)no1 ZINC000113332008 376011132 /nfs/dbraw/zinc/01/11/32/376011132.db2.gz BVXVOMPKYGUWDQ-UHFFFAOYSA-N 0 0 287.363 2.951 20 10 CFCDRN Oc1cccc(Cl)c1CNCc1nccn1C(F)F ZINC000113329577 376011711 /nfs/dbraw/zinc/01/17/11/376011711.db2.gz RBJQUAHSGYGMSD-UHFFFAOYSA-N 0 0 287.697 2.927 20 10 CFCDRN Cc1c([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cnn1C ZINC000124705960 377080570 /nfs/dbraw/zinc/08/05/70/377080570.db2.gz IJGWKRHKPRVFME-VIFPVBQESA-N 0 0 279.771 2.938 20 10 CFCDRN CCC(CC)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124819113 377091718 /nfs/dbraw/zinc/09/17/18/377091718.db2.gz VUYSKNXCKIQPND-UHFFFAOYSA-N 0 0 257.761 2.686 20 10 CFCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000125543477 377167961 /nfs/dbraw/zinc/16/79/61/377167961.db2.gz RDPDIUVTNUUNKZ-CYBMUJFWSA-N 0 0 266.360 2.503 20 10 CFCDRN CCC1(C)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126401719 377225362 /nfs/dbraw/zinc/22/53/62/377225362.db2.gz RDJGGFUZFKUOKH-UHFFFAOYSA-N 0 0 263.337 2.750 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)nc(C)n2)c1 ZINC000132384351 377833935 /nfs/dbraw/zinc/83/39/35/377833935.db2.gz WIMLBOCZGHTHKM-JTQLQIEISA-N 0 0 273.336 2.981 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C3CC3)n2)c(OC)c1 ZINC000132075619 377799323 /nfs/dbraw/zinc/79/93/23/377799323.db2.gz GZFCOINEUIAGLV-UHFFFAOYSA-N 0 0 289.335 2.601 20 10 CFCDRN C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134240997 377995379 /nfs/dbraw/zinc/99/53/79/377995379.db2.gz XFQJVMBZVWMOPK-CPCISQLKSA-N 0 0 276.163 2.966 20 10 CFCDRN O=C(NCCSc1nccs1)C1CCCC1 ZINC000134591747 378035621 /nfs/dbraw/zinc/03/56/21/378035621.db2.gz NDGLPTVIBICHQQ-UHFFFAOYSA-N 0 0 256.396 2.542 20 10 CFCDRN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000134625639 378039382 /nfs/dbraw/zinc/03/93/82/378039382.db2.gz ZRVBQGYRWVCDLM-IJEWVQPXSA-N 0 0 274.408 2.730 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000134899698 378060362 /nfs/dbraw/zinc/06/03/62/378060362.db2.gz SJXSAVLYCZQYMM-NKWVEPMBSA-N 0 0 264.152 2.730 20 10 CFCDRN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nccs2)c1 ZINC000136299362 378194502 /nfs/dbraw/zinc/19/45/02/378194502.db2.gz XWAISWVTPKSHJB-UHFFFAOYSA-N 0 0 296.329 2.989 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCS1 ZINC000153395973 378489036 /nfs/dbraw/zinc/48/90/36/378489036.db2.gz ZPROJXMTPYNAPI-HNNXBMFYSA-N 0 0 294.420 2.819 20 10 CFCDRN CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccc(F)cc1 ZINC000156908658 378647695 /nfs/dbraw/zinc/64/76/95/378647695.db2.gz FAOSHGWNYKVBQC-BJMVGYQFSA-N 0 0 287.338 2.934 20 10 CFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(F)F ZINC000334437847 379298714 /nfs/dbraw/zinc/29/87/14/379298714.db2.gz RYUPJUXLGLJONN-JTQLQIEISA-N 0 0 298.333 2.769 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCOC1 ZINC000176128051 380181754 /nfs/dbraw/zinc/18/17/54/380181754.db2.gz XVDVFQUJPPWZMK-AWEZNQCLSA-N 0 0 291.391 2.948 20 10 CFCDRN Cc1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000175943291 380159324 /nfs/dbraw/zinc/15/93/24/380159324.db2.gz UHXWGYROMVGFLC-UHFFFAOYSA-N 0 0 283.375 2.636 20 10 CFCDRN CCOC[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000529667411 383745751 /nfs/dbraw/zinc/74/57/51/383745751.db2.gz VFWYSIDUIBFLGQ-LBPRGKRZSA-N 0 0 299.798 2.591 20 10 CFCDRN CCC(CC)N(CCOC)C(=O)c1ccc(C)c(O)c1O ZINC000179437189 380543297 /nfs/dbraw/zinc/54/32/97/380543297.db2.gz WMOKSJDHMSKHKK-UHFFFAOYSA-N 0 0 295.379 2.683 20 10 CFCDRN C[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000180192214 380629872 /nfs/dbraw/zinc/62/98/72/380629872.db2.gz RNMSRQANMIGNFX-GFCCVEGCSA-N 0 0 276.163 2.656 20 10 CFCDRN CCC[C@@](C)(NCc1cccc(C)c1O)C(=O)OC ZINC000180035990 380614447 /nfs/dbraw/zinc/61/44/47/380614447.db2.gz BKPOPSGGAFEQKB-OAHLLOKOSA-N 0 0 265.353 2.522 20 10 CFCDRN CC[C@@H]([NH2+]CCOCC(F)F)c1ccc(F)cc1[O-] ZINC000287315797 380802661 /nfs/dbraw/zinc/80/26/61/380802661.db2.gz FGBPHVNRZPNTLN-LLVKDONJSA-N 0 0 277.286 2.854 20 10 CFCDRN Cc1cnccc1CN(C)c1ccc2c(c1)OCO2 ZINC000295393327 380826548 /nfs/dbraw/zinc/82/65/48/380826548.db2.gz LMBGSXCKUAFOHS-UHFFFAOYSA-N 0 0 256.305 2.755 20 10 CFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1(O)CCCC1 ZINC000295471578 380878314 /nfs/dbraw/zinc/87/83/14/380878314.db2.gz WOAGEQFCLKJPRO-UHFFFAOYSA-N 0 0 287.762 2.922 20 10 CFCDRN CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(Cl)c1[O-] ZINC000287740557 380925487 /nfs/dbraw/zinc/92/54/87/380925487.db2.gz PQSSRRIGCFFAHF-CHWSQXEVSA-N 0 0 296.798 2.755 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc([C@@H]3CCCO3)o2)c1 ZINC000181798460 380898189 /nfs/dbraw/zinc/89/81/89/380898189.db2.gz OWIDGDXTOSPDSM-LBPRGKRZSA-N 0 0 275.308 2.547 20 10 CFCDRN COc1ccccc1N(CCO)Cc1cc(C)ccc1O ZINC000289250805 381027790 /nfs/dbraw/zinc/02/77/90/381027790.db2.gz BADJQNYXFFKILO-UHFFFAOYSA-N 0 0 287.359 2.708 20 10 CFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC000289534585 381038741 /nfs/dbraw/zinc/03/87/41/381038741.db2.gz HSSPUYNEPUIYBF-PFSWANKYSA-N 0 0 293.794 2.901 20 10 CFCDRN CC(C)c1nc(C(=O)NCc2ccc(O)c(O)c2)cs1 ZINC000182517484 381103977 /nfs/dbraw/zinc/10/39/77/381103977.db2.gz PQXHWHRKXBOSAY-UHFFFAOYSA-N 0 0 292.360 2.608 20 10 CFCDRN CC1(C)CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000182522953 381107127 /nfs/dbraw/zinc/10/71/27/381107127.db2.gz URKBTJVKACPTFL-LBPRGKRZSA-N 0 0 277.364 2.930 20 10 CFCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000295787367 381075777 /nfs/dbraw/zinc/07/57/77/381075777.db2.gz RFTMITHWKRVITI-IACUBPJLSA-N 0 0 291.391 2.971 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(CO)cc2)cc1F ZINC000182844305 381171057 /nfs/dbraw/zinc/17/10/57/381171057.db2.gz LVWFNGHTFXDAOR-UHFFFAOYSA-N 0 0 275.323 2.963 20 10 CFCDRN CCN(CC)C(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095513 381253090 /nfs/dbraw/zinc/25/30/90/381253090.db2.gz UCVKTKUGYYTNEO-AWEZNQCLSA-N 0 0 290.407 2.618 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000183441734 381271452 /nfs/dbraw/zinc/27/14/52/381271452.db2.gz JLRKVDYQVXHRSF-MJJBJKEYSA-N 0 0 289.375 2.581 20 10 CFCDRN Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183435193 381271497 /nfs/dbraw/zinc/27/14/97/381271497.db2.gz VUTQZXOYGYQEOK-ZDUSSCGKSA-N 0 0 299.370 2.696 20 10 CFCDRN C[C@H](NCc1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000183857272 381330132 /nfs/dbraw/zinc/33/01/32/381330132.db2.gz MDPNPRGVPZQNNK-ZDUSSCGKSA-N 0 0 299.422 2.531 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CCC(CF)CC2)cc1 ZINC000296290066 381333586 /nfs/dbraw/zinc/33/35/86/381333586.db2.gz JNEISANDWVQDDW-UHFFFAOYSA-N 0 0 293.386 2.644 20 10 CFCDRN CCOc1cccc(C[N@H+](C)CCc2ccncc2)c1O ZINC000183756860 381315017 /nfs/dbraw/zinc/31/50/17/381315017.db2.gz KSLVFABQJJSFIY-UHFFFAOYSA-N 0 0 286.375 2.860 20 10 CFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296423251 381389380 /nfs/dbraw/zinc/38/93/80/381389380.db2.gz LNBZBRIOHWNTTB-QWRGUYRKSA-N 0 0 282.340 2.502 20 10 CFCDRN COc1cc(Cl)cc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000184680868 381458004 /nfs/dbraw/zinc/45/80/04/381458004.db2.gz AZVVPABJUNCLMA-ZJUUUORDSA-N 0 0 285.771 2.663 20 10 CFCDRN COc1cc(Cl)cc(CN2CCOCC2(C)C)c1O ZINC000184683278 381461596 /nfs/dbraw/zinc/46/15/96/381461596.db2.gz LZMRDMXFTDBRCJ-UHFFFAOYSA-N 0 0 285.771 2.665 20 10 CFCDRN CCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184701183 381462705 /nfs/dbraw/zinc/46/27/05/381462705.db2.gz IIPFDVBUMYCOBN-NSHDSACASA-N 0 0 299.798 2.913 20 10 CFCDRN COc1cc(Cl)cc(CN2CCOC[C@@H]2C2CC2)c1O ZINC000184698514 381463620 /nfs/dbraw/zinc/46/36/20/381463620.db2.gz DEANAYCSBRNHLB-CYBMUJFWSA-N 0 0 297.782 2.665 20 10 CFCDRN Cc1cccnc1CCCNC(=O)NCc1ccccc1O ZINC000296827188 381544636 /nfs/dbraw/zinc/54/46/36/381544636.db2.gz SLTAGSCEBTUDMU-UHFFFAOYSA-N 0 0 299.374 2.528 20 10 CFCDRN Oc1cccc2c1[C@H](Nc1cnn(CC(F)F)c1)CC2 ZINC000296983269 381548922 /nfs/dbraw/zinc/54/89/22/381548922.db2.gz SBKZUVJDMGPWFC-LLVKDONJSA-N 0 0 279.290 2.953 20 10 CFCDRN C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185199568 381562584 /nfs/dbraw/zinc/56/25/84/381562584.db2.gz WUCQMGUNZDPOLD-IINYFYTJSA-N 0 0 269.360 2.979 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cnn(C)c1 ZINC000348476961 381584544 /nfs/dbraw/zinc/58/45/44/381584544.db2.gz PGXJOLAKWFUOSI-UHFFFAOYSA-N 0 0 297.362 2.542 20 10 CFCDRN CCCC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000371410954 381618410 /nfs/dbraw/zinc/61/84/10/381618410.db2.gz JXSLFCQPTCMCFT-UHFFFAOYSA-N 0 0 290.407 2.535 20 10 CFCDRN COc1ccc(N2CCCN(C(=O)CC3CC3)CC2)cc1 ZINC000371453165 381632561 /nfs/dbraw/zinc/63/25/61/381632561.db2.gz WVMMFJGYQCGMMC-UHFFFAOYSA-N 0 0 288.391 2.534 20 10 CFCDRN CO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298806261 381753348 /nfs/dbraw/zinc/75/33/48/381753348.db2.gz ICRPFVGASOFFPE-ZDUSSCGKSA-N 0 0 278.396 2.525 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1CCC1 ZINC000186423037 381907927 /nfs/dbraw/zinc/90/79/27/381907927.db2.gz XIEDAVJRRMEXTR-NSHDSACASA-N 0 0 277.364 2.725 20 10 CFCDRN Cc1ccnc(N2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000373213809 381951924 /nfs/dbraw/zinc/95/19/24/381951924.db2.gz ATBJLYYZDMFZSF-UHFFFAOYSA-N 0 0 280.375 2.755 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC12CCOCC2 ZINC000374897445 382059537 /nfs/dbraw/zinc/05/95/37/382059537.db2.gz MHUKZLICJFGZEJ-UHFFFAOYSA-N 0 0 265.328 2.676 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000375883501 382109755 /nfs/dbraw/zinc/10/97/55/382109755.db2.gz CJXCOUKMDJIKQX-JSGCOSHPSA-N 0 0 289.354 2.853 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC=C(c2ccco2)C1 ZINC000376026810 382117633 /nfs/dbraw/zinc/11/76/33/382117633.db2.gz UVCAVEHUKOXPIW-UHFFFAOYSA-N 0 0 285.299 2.620 20 10 CFCDRN Cc1nc([C@H]2CCCCN2Cc2cc(F)ccc2O)no1 ZINC000376169172 382123199 /nfs/dbraw/zinc/12/31/99/382123199.db2.gz ZTOZHILBNDPEOS-CYBMUJFWSA-N 0 0 291.326 2.950 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1[O-] ZINC000376306880 382128992 /nfs/dbraw/zinc/12/89/92/382128992.db2.gz VUUXIOKNZDECTA-GHJWDPDVSA-N 0 0 295.354 2.520 20 10 CFCDRN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(O)c1O ZINC000375470545 382088989 /nfs/dbraw/zinc/08/89/89/382088989.db2.gz QCJMKJLCAKWNBR-CYBMUJFWSA-N 0 0 299.326 2.660 20 10 CFCDRN CS[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000187106169 382100664 /nfs/dbraw/zinc/10/06/64/382100664.db2.gz XOLRGMVGRUVXNQ-ZJUUUORDSA-N 0 0 281.377 2.502 20 10 CFCDRN C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000293570453 382179344 /nfs/dbraw/zinc/17/93/44/382179344.db2.gz IYMQAQNRPGVTDO-HZMBPMFUSA-N 0 0 298.789 2.711 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000293622781 382201478 /nfs/dbraw/zinc/20/14/78/382201478.db2.gz MPJRMBNXALUEJH-TVQRCGJNSA-N 0 0 287.762 2.825 20 10 CFCDRN CN(C)c1ccnc(NCCCSc2nccs2)n1 ZINC000301782210 382192902 /nfs/dbraw/zinc/19/29/02/382192902.db2.gz NJECWDIBTRVPNR-UHFFFAOYSA-N 0 0 295.437 2.593 20 10 CFCDRN OC[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc21 ZINC000293791457 382281352 /nfs/dbraw/zinc/28/13/52/382281352.db2.gz COBYUEBVDSHEES-GFCCVEGCSA-N 0 0 273.307 2.627 20 10 CFCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000293720691 382248972 /nfs/dbraw/zinc/24/89/72/382248972.db2.gz NPTYWJJERCSVIL-XPTSAGLGSA-N 0 0 253.317 2.607 20 10 CFCDRN CCOc1cccc(C[N@H+](C)Cc2conc2CC)c1O ZINC000293752531 382264636 /nfs/dbraw/zinc/26/46/36/382264636.db2.gz WZRNYULWALHOOZ-UHFFFAOYSA-N 0 0 290.363 2.973 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNc1nccnc1C ZINC000357679786 382275571 /nfs/dbraw/zinc/27/55/71/382275571.db2.gz KFHLRVULXFGZMY-UHFFFAOYSA-N 0 0 266.348 2.619 20 10 CFCDRN Oc1ccc(F)cc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000364320863 382305934 /nfs/dbraw/zinc/30/59/34/382305934.db2.gz AAPXLYLFTODVFH-HNNXBMFYSA-N 0 0 298.321 2.529 20 10 CFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000364514651 382322563 /nfs/dbraw/zinc/32/25/63/382322563.db2.gz YTPCZMAIPYFYJP-CQSZACIVSA-N 0 0 267.756 2.656 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(F)c(F)c1[O-] ZINC000364801147 382354950 /nfs/dbraw/zinc/35/49/50/382354950.db2.gz XMCYGHRWNWQPDR-VVUYAAESSA-N 0 0 283.318 2.889 20 10 CFCDRN Oc1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294014643 382378096 /nfs/dbraw/zinc/37/80/96/382378096.db2.gz NCLUVZBNPXWKEU-JKSUJKDBSA-N 0 0 259.349 2.536 20 10 CFCDRN C[C@@H]1CC[C@@H](CN2CCOc3cc(N(C)C)ccc32)O1 ZINC000188582506 382438253 /nfs/dbraw/zinc/43/82/53/382438253.db2.gz LCSQNNYGZHGUDK-OCCSQVGLSA-N 0 0 276.380 2.519 20 10 CFCDRN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000378439183 382461073 /nfs/dbraw/zinc/46/10/73/382461073.db2.gz MSWFRWPWJMIHKM-LLVKDONJSA-N 0 0 269.772 2.640 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1nccs1 ZINC000294274565 382489093 /nfs/dbraw/zinc/48/90/93/382489093.db2.gz OPQGLYHFNAPXJY-UHFFFAOYSA-N 0 0 286.759 2.974 20 10 CFCDRN CO[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378635486 382497643 /nfs/dbraw/zinc/49/76/43/382497643.db2.gz USTFCXCIQJSZIM-LBPRGKRZSA-N 0 0 253.317 2.532 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC1(F)F ZINC000294327084 382510347 /nfs/dbraw/zinc/51/03/47/382510347.db2.gz DPLNHSQNCCXEAU-CYBMUJFWSA-N 0 0 280.318 2.558 20 10 CFCDRN COC(=O)c1cnc(SCC2(OC)CCCC2)s1 ZINC000294908008 382543388 /nfs/dbraw/zinc/54/33/88/382543388.db2.gz BEAHVLAPEVDZKF-UHFFFAOYSA-N 0 0 287.406 2.981 20 10 CFCDRN CCC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295141278 382577884 /nfs/dbraw/zinc/57/78/84/382577884.db2.gz OPKWHZMAKTUPMK-SNVBAGLBSA-N 0 0 281.327 2.889 20 10 CFCDRN Cn1ccnc1[C@@H]1N(Cc2cc(F)ccc2O)CC1(C)C ZINC000294860031 382534468 /nfs/dbraw/zinc/53/44/68/382534468.db2.gz TUNMJQBRPOTUGR-AWEZNQCLSA-N 0 0 289.354 2.848 20 10 CFCDRN COC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000348668988 532971735 /nfs/dbraw/zinc/97/17/35/532971735.db2.gz SOEPHDYUKPSSJB-UHFFFAOYSA-N 0 0 286.375 2.672 20 10 CFCDRN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000251807962 383396023 /nfs/dbraw/zinc/39/60/23/383396023.db2.gz MGCQCVMYBFQENC-XUJVJEKNSA-N 0 0 260.381 2.752 20 10 CFCDRN Cc1c(/C=C\C(=O)N2CC3(CC3)c3ccccc32)cnn1C ZINC000255560342 383483994 /nfs/dbraw/zinc/48/39/94/383483994.db2.gz ZXSJDUSREXEGKP-FPLPWBNLSA-N 0 0 293.370 2.820 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC12CC2 ZINC000528829230 383649688 /nfs/dbraw/zinc/64/96/88/383649688.db2.gz WISMRSVTKGYVOG-CYBMUJFWSA-N 0 0 259.349 2.931 20 10 CFCDRN Cc1ccc(C(=O)N2CCC(F)(F)C[C@@H]2C)c(O)c1O ZINC000530011708 383763488 /nfs/dbraw/zinc/76/34/88/383763488.db2.gz NBWIKXMLNJTQEG-VIFPVBQESA-N 0 0 285.290 2.666 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176923 383767668 /nfs/dbraw/zinc/76/76/68/383767668.db2.gz FBQOMRMWGJQHLV-LBPRGKRZSA-N 0 0 284.762 2.559 20 10 CFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cncs1 ZINC000266590253 384203674 /nfs/dbraw/zinc/20/36/74/384203674.db2.gz XILYQBLCILHGDV-UHFFFAOYSA-N 0 0 288.372 2.658 20 10 CFCDRN CCC1(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000267186168 384318375 /nfs/dbraw/zinc/31/83/75/384318375.db2.gz ARQHKEXZIMQBKP-UHFFFAOYSA-N 0 0 272.392 2.875 20 10 CFCDRN Cc1cccnc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000267405543 384382797 /nfs/dbraw/zinc/38/27/97/384382797.db2.gz YJDPPFJFMDUHBJ-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)C2CC2)cc1 ZINC000268419264 384618189 /nfs/dbraw/zinc/61/81/89/384618189.db2.gz QAPPOJGZICQFRU-KRWDZBQOSA-N 0 0 298.386 2.595 20 10 CFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)[nH]c2c1C(=O)CCC2 ZINC000269115974 384727802 /nfs/dbraw/zinc/72/78/02/384727802.db2.gz HOVXLWARWGKDBV-UHFFFAOYSA-N 0 0 283.331 2.677 20 10 CFCDRN CC(C)c1nn(C)cc1C(=O)N(C)Cc1ccccc1O ZINC000269151196 384732371 /nfs/dbraw/zinc/73/23/71/384732371.db2.gz OQDHDWQRIKBZFC-UHFFFAOYSA-N 0 0 287.363 2.521 20 10 CFCDRN CCN(CC)c1ccc(C[NH+]2CCC(CO)CC2)cc1F ZINC000271052265 385321051 /nfs/dbraw/zinc/32/10/51/385321051.db2.gz WQEQVNDTXDQXCY-UHFFFAOYSA-N 0 0 294.414 2.876 20 10 CFCDRN COc1ccc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271836299 385393896 /nfs/dbraw/zinc/39/38/96/385393896.db2.gz POVZSWWWCXFVGB-UHFFFAOYSA-N 0 0 291.391 2.793 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000271835947 385394320 /nfs/dbraw/zinc/39/43/20/385394320.db2.gz PPHYRDRBIXBYEO-LBPRGKRZSA-N 0 0 281.739 2.770 20 10 CFCDRN COc1cc(N(C)CCOCC(C)C)cc(OC)c1OC ZINC000283283992 385453534 /nfs/dbraw/zinc/45/35/34/385453534.db2.gz MHRBNYCMUPTCHU-UHFFFAOYSA-N 0 0 297.395 2.821 20 10 CFCDRN Cc1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)[nH]n1 ZINC000283108020 385436940 /nfs/dbraw/zinc/43/69/40/385436940.db2.gz UGBGZVSSIOJSKN-GFCCVEGCSA-N 0 0 289.354 2.942 20 10 CFCDRN CCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272418992 385532431 /nfs/dbraw/zinc/53/24/31/385532431.db2.gz JZBNYMYMCCZTOX-GQCTYLIASA-N 0 0 275.348 2.760 20 10 CFCDRN COc1cccc(CN[C@H](C)c2c(F)cncc2F)c1O ZINC000285530532 385556268 /nfs/dbraw/zinc/55/62/68/385556268.db2.gz PUMKFVZNKRGPNZ-SECBINFHSA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@@H]([NH2+]CCCCOC)c1ccc(F)cc1[O-] ZINC000285687709 385556913 /nfs/dbraw/zinc/55/69/13/385556913.db2.gz OGQNHUMCOILMAR-CYBMUJFWSA-N 0 0 255.333 2.999 20 10 CFCDRN CC[C@H]([NH2+]CCN(C)CCCOC)c1ccc(F)cc1[O-] ZINC000285897909 385557724 /nfs/dbraw/zinc/55/77/24/385557724.db2.gz COJINBAPMFAEFR-HNNXBMFYSA-N 0 0 298.402 2.540 20 10 CFCDRN CC[C@H]([NH2+]CCSCCCO)c1ccc(F)cc1[O-] ZINC000286186106 385568420 /nfs/dbraw/zinc/56/84/20/385568420.db2.gz RAEUIZJXAXZNFB-ZDUSSCGKSA-N 0 0 287.400 2.688 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC000272624821 385578337 /nfs/dbraw/zinc/57/83/37/385578337.db2.gz JIBLKGUVGCEGCC-OKPNEXGHSA-N 0 0 275.348 2.758 20 10 CFCDRN CC(C)CSCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272641101 385581150 /nfs/dbraw/zinc/58/11/50/385581150.db2.gz LQBFEWRPDFIODD-GQCTYLIASA-N 0 0 295.404 2.616 20 10 CFCDRN C[N@H+](CCc1ccncc1)Cc1cccc(F)c1[O-] ZINC000273350284 385676745 /nfs/dbraw/zinc/67/67/45/385676745.db2.gz AUVBYKXXHDNHJJ-UHFFFAOYSA-N 0 0 260.312 2.601 20 10 CFCDRN CC(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273378177 385678235 /nfs/dbraw/zinc/67/82/35/385678235.db2.gz HONYJCCGMXWVTO-SNVBAGLBSA-N 0 0 252.314 2.997 20 10 CFCDRN CCOc1ccc(O)c(C[N@@H+]2CCCSCC2)c1 ZINC000273402391 385681151 /nfs/dbraw/zinc/68/11/51/385681151.db2.gz MMZGWXGLACCQSX-UHFFFAOYSA-N 0 0 267.394 2.730 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273426601 385682966 /nfs/dbraw/zinc/68/29/66/385682966.db2.gz UHSLSUQPBLBSFJ-VHSXEESVSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000273426598 385683389 /nfs/dbraw/zinc/68/33/89/385683389.db2.gz UHSLSUQPBLBSFJ-NXEZZACHSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000273480039 385684084 /nfs/dbraw/zinc/68/40/84/385684084.db2.gz LVDZBYDJRGWPTG-SCVCMEIPSA-N 0 0 253.317 2.749 20 10 CFCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273516754 385686320 /nfs/dbraw/zinc/68/63/20/385686320.db2.gz SQHRWIZYSMBPQZ-IUCAKERBSA-N 0 0 270.354 2.703 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000273565485 385688971 /nfs/dbraw/zinc/68/89/71/385688971.db2.gz JKOFLHHDCFOXPF-CMPLNLGQSA-N 0 0 295.404 2.725 20 10 CFCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287138722 385787787 /nfs/dbraw/zinc/78/77/87/385787787.db2.gz ANAVEWDYJMVGCE-YUMQZZPRSA-N 0 0 291.269 2.780 20 10 CFCDRN CCOc1ccc(O)c(CN2CCC=C(F)C2)c1 ZINC000274456923 385803834 /nfs/dbraw/zinc/80/38/34/385803834.db2.gz GMZXWUMDROZNKB-UHFFFAOYSA-N 0 0 251.301 2.850 20 10 CFCDRN COc1nc(C)nc(NCc2ccc(N(C)C)cc2)c1C ZINC000301877444 393480879 /nfs/dbraw/zinc/48/08/79/393480879.db2.gz HCRVEUFIEMYQDP-UHFFFAOYSA-N 0 0 286.379 2.780 20 10 CFCDRN CN(Cc1ccco1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372452551 393449676 /nfs/dbraw/zinc/44/96/76/393449676.db2.gz BNPQABCLAOVQTI-UHFFFAOYSA-N 0 0 299.374 2.614 20 10 CFCDRN CN1CCc2cc(CNC(=O)N3CCCCCC3)ccc21 ZINC000372444772 393450366 /nfs/dbraw/zinc/45/03/66/393450366.db2.gz BEYVAGBRPNIISS-UHFFFAOYSA-N 0 0 287.407 2.765 20 10 CFCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1ccc(F)c(F)c1 ZINC000181919453 393504012 /nfs/dbraw/zinc/50/40/12/393504012.db2.gz GIMHSJAEEIJBQN-GORDUTHDSA-N 0 0 290.269 2.742 20 10 CFCDRN CCCCCCC(=O)NCc1cccc(OC)c1O ZINC000105651915 393864764 /nfs/dbraw/zinc/86/47/64/393864764.db2.gz LKINAGQYIONLSM-UHFFFAOYSA-N 0 0 265.353 2.987 20 10 CFCDRN CCOCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295026 393874070 /nfs/dbraw/zinc/87/40/70/393874070.db2.gz LDYNIWSYZBTMKI-UHFFFAOYSA-N 0 0 290.407 2.576 20 10 CFCDRN COC[C@@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000348634292 393955835 /nfs/dbraw/zinc/95/58/35/393955835.db2.gz NRZMHDJBINCJEO-LBPRGKRZSA-N 0 0 288.391 2.776 20 10 CFCDRN CC(C)c1cc(C(=O)N(C)Cc2ccccc2O)no1 ZINC000121567911 393957361 /nfs/dbraw/zinc/95/73/61/393957361.db2.gz QJZLPLVJAXQQJZ-UHFFFAOYSA-N 0 0 274.320 2.776 20 10 CFCDRN CC(C)(C)CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000122893380 393973089 /nfs/dbraw/zinc/97/30/89/393973089.db2.gz SBBGLCYAMVSRAX-UHFFFAOYSA-N 0 0 265.353 2.583 20 10 CFCDRN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000281956914 394100944 /nfs/dbraw/zinc/10/09/44/394100944.db2.gz FWCDOVPCNULLTE-IOASZLSFSA-N 0 0 290.407 2.525 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](CO)c3ccccc32)c1 ZINC000492802796 394076804 /nfs/dbraw/zinc/07/68/04/394076804.db2.gz FEPBVIBWCKAQJN-XHPSBEMXSA-N 0 0 294.354 2.526 20 10 CFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281855092 394084667 /nfs/dbraw/zinc/08/46/67/394084667.db2.gz YQCPOHGLANTVMD-VIFPVBQESA-N 0 0 286.278 2.825 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)nc1 ZINC000492960746 394109518 /nfs/dbraw/zinc/10/95/18/394109518.db2.gz XWXCPHJTLNHNSF-FNORWQNLSA-N 0 0 267.332 2.770 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000365238540 394229682 /nfs/dbraw/zinc/22/96/82/394229682.db2.gz AVTRSVHYDSXJCJ-MFKMUULPSA-N 0 0 298.789 2.711 20 10 CFCDRN CN(C(=O)/C=C\c1ccn(C)c1)c1ccc(F)cc1 ZINC000493856565 394331404 /nfs/dbraw/zinc/33/14/04/394331404.db2.gz ZZMDTMDYEZPJCT-BAQGIRSFSA-N 0 0 258.296 2.840 20 10 CFCDRN CCN(Cc1ccnc(OC)n1)c1ccc(OC)cc1 ZINC000295647386 394302419 /nfs/dbraw/zinc/30/24/19/394302419.db2.gz FUJQOAHJYDBXOO-UHFFFAOYSA-N 0 0 273.336 2.520 20 10 CFCDRN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000174552948 292066549 /nfs/dbraw/zinc/06/65/49/292066549.db2.gz IAVZPDSBBHCRDK-SNVBAGLBSA-N 0 0 282.340 2.594 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](C)C2)cc1OC ZINC000270875326 286248484 /nfs/dbraw/zinc/24/84/84/286248484.db2.gz AKYFALLTJOPVJT-JTQLQIEISA-N 0 0 280.324 2.848 20 10 CFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC2)CCCC1 ZINC000651027081 413277373 /nfs/dbraw/zinc/27/73/73/413277373.db2.gz VNSGDGCSMHPBQJ-UHFFFAOYSA-N 0 0 298.386 2.761 20 10 CFCDRN CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000287807536 286905199 /nfs/dbraw/zinc/90/51/99/286905199.db2.gz UMWURYBQGZSVDF-CYBMUJFWSA-N 0 0 298.814 2.955 20 10 CFCDRN Cc1cc(F)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000022177156 171370886 /nfs/dbraw/zinc/37/08/86/171370886.db2.gz SUAAVIHEOOGHNH-UHFFFAOYSA-N 0 0 258.296 2.898 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccnc1 ZINC000179427369 260047668 /nfs/dbraw/zinc/04/76/68/260047668.db2.gz HUUGBGKDBDXCGM-FNORWQNLSA-N 0 0 273.723 2.806 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H](O)C1CCCCCCC1 ZINC000934934848 649858000 /nfs/dbraw/zinc/85/80/00/649858000.db2.gz CAALSZUFKGPKQQ-INIZCTEOSA-N 0 0 291.391 2.730 20 10 CFCDRN C[C@@H]1CCOCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000368130551 267146555 /nfs/dbraw/zinc/14/65/55/267146555.db2.gz CVDFAPZSOVETFH-SNVBAGLBSA-N 0 0 255.745 2.656 20 10 CFCDRN Cc1c([C@H]2CCC[N@@H+]2Cc2cccc(F)c2[O-])cnn1C ZINC000368463299 267175092 /nfs/dbraw/zinc/17/50/92/267175092.db2.gz XZROENVSOBKGCG-OAHLLOKOSA-N 0 0 289.354 2.910 20 10 CFCDRN CC(C)Oc1ccc(-c2ncnc3c2ccn3C)cn1 ZINC001240808897 782041022 /nfs/dbraw/zinc/04/10/22/782041022.db2.gz ZEHXHONVVPPKMQ-UHFFFAOYSA-N 0 0 268.320 2.818 20 10 CFCDRN COc1cccc(CNC(=O)[C@H]2CCCC23CC3)c1O ZINC000528861535 270676571 /nfs/dbraw/zinc/67/65/71/270676571.db2.gz NKSVIXDSZHTMOY-GFCCVEGCSA-N 0 0 275.348 2.597 20 10 CFCDRN COc1cccc(CNC(=O)C[C@H](C)c2ccco2)c1O ZINC000528863466 270676847 /nfs/dbraw/zinc/67/68/47/270676847.db2.gz WMMWVZUXVSUIKL-NSHDSACASA-N 0 0 289.331 2.804 20 10 CFCDRN CC[C@H]([NH2+]C[C@H](COC)OC)c1cccc(Cl)c1[O-] ZINC000287882944 288048046 /nfs/dbraw/zinc/04/80/46/288048046.db2.gz YOWNZVFLBVJUGJ-MFKMUULPSA-N 0 0 287.787 2.748 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1ncnn1C)c1cccc(Cl)c1[O-] ZINC000287310128 288083510 /nfs/dbraw/zinc/08/35/10/288083510.db2.gz CWXNONIJBHLRPK-SKDRFNHKSA-N 0 0 294.786 2.976 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1[O-] ZINC000287700071 288087303 /nfs/dbraw/zinc/08/73/03/288087303.db2.gz NOQBFXPATOUZDZ-GWCFXTLKSA-N 0 0 296.798 2.707 20 10 CFCDRN CC(C)N(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000190637711 279326030 /nfs/dbraw/zinc/32/60/30/279326030.db2.gz QPRRNQSUIZMVTF-UHFFFAOYSA-N 0 0 263.385 2.645 20 10 CFCDRN O=C1/C(=C\c2cccnc2)SC(=S)N1C1CCC1 ZINC000292305498 280247329 /nfs/dbraw/zinc/24/73/29/280247329.db2.gz KRSQWCHCZUTQDO-YRNVUSSQSA-N 0 0 276.386 2.835 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N2CCc3ccccc32)c1 ZINC000255202305 326957460 /nfs/dbraw/zinc/95/74/60/326957460.db2.gz CUQQCSVPGRUTNP-SREVYHEPSA-N 0 0 264.328 2.993 20 10 CFCDRN Cc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1C ZINC000527804650 330284424 /nfs/dbraw/zinc/28/44/24/330284424.db2.gz RCNZKYPPEIOKMG-QCQGSNGOSA-N 0 0 263.381 2.911 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCOc2cc(F)ccc21 ZINC000118278791 330367654 /nfs/dbraw/zinc/36/76/54/330367654.db2.gz ALABRSCVQDFXCM-ZZXKWVIFSA-N 0 0 284.290 2.660 20 10 CFCDRN CN(C(=O)/C=C/c1cnccn1)c1cccc2ncccc21 ZINC000492289395 332390996 /nfs/dbraw/zinc/39/09/96/332390996.db2.gz RIEZKFRUUKQTRQ-BQYQJAHWSA-N 0 0 290.326 2.701 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2CCSc3ncccc32)cn1 ZINC000492392811 332395446 /nfs/dbraw/zinc/39/54/46/332395446.db2.gz CWLKOPOTGAONKI-SREVYHEPSA-N 0 0 297.383 2.937 20 10 CFCDRN Cc1cccc(N(C)C(=O)/C=C\c2cnccc2C)n1 ZINC000492414844 332396301 /nfs/dbraw/zinc/39/63/01/332396301.db2.gz JEAWVNYUIYDBDC-FPLPWBNLSA-N 0 0 267.332 2.770 20 10 CFCDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCc2ccncc21 ZINC000492446960 332397815 /nfs/dbraw/zinc/39/78/15/332397815.db2.gz VRLHXDMRSFBQBM-WAYWQWQTSA-N 0 0 295.298 2.592 20 10 CFCDRN Cc1cc(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])ccn1 ZINC000492534415 332402008 /nfs/dbraw/zinc/40/20/08/332402008.db2.gz MQBHCGRPXIGQBE-FPLPWBNLSA-N 0 0 297.314 2.974 20 10 CFCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ncccc1C ZINC000492568876 332403702 /nfs/dbraw/zinc/40/37/02/332403702.db2.gz TWKOZQCFWHGGMB-SREVYHEPSA-N 0 0 285.322 2.990 20 10 CFCDRN COc1ccc2c(c1)CCN2C(=O)/C=C/c1cncs1 ZINC000492948363 332419685 /nfs/dbraw/zinc/41/96/85/332419685.db2.gz GONVPUMYPIFYHE-HWKANZROSA-N 0 0 286.356 2.754 20 10 CFCDRN O=C(/C=C/c1cncc(F)c1)N1CCCc2cccc(O)c21 ZINC000155607751 334725199 /nfs/dbraw/zinc/72/51/99/334725199.db2.gz PLASMZNYPFABNQ-VOTSOKGWSA-N 0 0 298.317 2.919 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000177511459 335373247 /nfs/dbraw/zinc/37/32/47/335373247.db2.gz PQDNMQJYZAFHCF-UONOGXRCSA-N 0 0 286.375 2.524 20 10 CFCDRN CCC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000294807223 519846259 /nfs/dbraw/zinc/84/62/59/519846259.db2.gz NNWWEDKLFASQNB-UHFFFAOYSA-N 0 0 270.716 2.986 20 10 CFCDRN CCC[C@H](CC)NC(=O)NCc1cccc(OC)c1O ZINC000174417500 521078248 /nfs/dbraw/zinc/07/82/48/521078248.db2.gz SWBHYSHNLDIKSH-LBPRGKRZSA-N 0 0 280.368 2.779 20 10 CFCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C)nc1 ZINC000376897857 518189282 /nfs/dbraw/zinc/18/92/82/518189282.db2.gz MFQFNDKINGORLR-UHFFFAOYSA-N 0 0 296.374 2.704 20 10 CFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[O-] ZINC000162863069 518280277 /nfs/dbraw/zinc/28/02/77/518280277.db2.gz TUWBGIKKTOUZIP-ONGXEEELSA-N 0 0 297.782 2.763 20 10 CFCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000194893583 518424663 /nfs/dbraw/zinc/42/46/63/518424663.db2.gz RPKMLPMCAXZJPI-DHZHZOJOSA-N 0 0 276.355 2.864 20 10 CFCDRN C/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000267484993 518479748 /nfs/dbraw/zinc/47/97/48/518479748.db2.gz AUMXZSQZDZEPRM-JMFZVXOESA-N 0 0 289.375 2.866 20 10 CFCDRN C/C=C(\CC)C(=O)NCc1ccc2c(c1)CCN2C ZINC000365078473 518500137 /nfs/dbraw/zinc/50/01/37/518500137.db2.gz INVPTPGOOZBFIS-YIXHJXPBSA-N 0 0 258.365 2.651 20 10 CFCDRN CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000040675633 518524039 /nfs/dbraw/zinc/52/40/39/518524039.db2.gz YJPHDXNZQMTXLC-UHFFFAOYSA-N 0 0 282.387 2.905 20 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CC(C)Oc1ccc(N(C)Cc2nccn2C)cc1 ZINC000191578755 519780391 /nfs/dbraw/zinc/78/03/91/519780391.db2.gz LIWBOGLKYJEZCO-UHFFFAOYSA-N 0 0 259.353 2.844 20 10 CFCDRN CC(C)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000171933425 519790006 /nfs/dbraw/zinc/79/00/06/519790006.db2.gz VRJPUDQMTNOKQQ-LLVKDONJSA-N 0 0 266.360 2.800 20 10 CFCDRN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276900976 519793092 /nfs/dbraw/zinc/79/30/92/519793092.db2.gz IZPZVUKWSNJANC-JOYOIKCWSA-N 0 0 273.323 2.728 20 10 CFCDRN CC(C)[C@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224869777 519813973 /nfs/dbraw/zinc/81/39/73/519813973.db2.gz BGMSTSIHKUAHIE-LBPRGKRZSA-N 0 0 257.761 2.542 20 10 CFCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)O ZINC000276901293 519821395 /nfs/dbraw/zinc/82/13/95/519821395.db2.gz NJHASBDYJQNOEI-HZMBPMFUSA-N 0 0 269.360 2.977 20 10 CFCDRN CC(C)c1ncc(C(=O)NCc2ccccc2O)s1 ZINC000269727427 519873206 /nfs/dbraw/zinc/87/32/06/519873206.db2.gz VFMWOIGSCGIJBF-UHFFFAOYSA-N 0 0 276.361 2.902 20 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CCCCN(Cc1ccccc1O)C(=O)COCC1CC1 ZINC000282451601 520546785 /nfs/dbraw/zinc/54/67/85/520546785.db2.gz IVNFVEALAFMBPG-UHFFFAOYSA-N 0 0 291.391 2.948 20 10 CFCDRN CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000230661746 520939509 /nfs/dbraw/zinc/93/95/09/520939509.db2.gz LOEBUZSPURGSAX-QMTHXVAHSA-N 0 0 255.333 2.733 20 10 CFCDRN CCC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183421474 521003996 /nfs/dbraw/zinc/00/39/96/521003996.db2.gz YVHOBMVOGFKFAA-QWRGUYRKSA-N 0 0 265.353 2.581 20 10 CFCDRN CCC(C)(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000263800998 521268714 /nfs/dbraw/zinc/26/87/14/521268714.db2.gz SCXIJHLGUBEIIR-UHFFFAOYSA-N 0 0 266.360 2.944 20 10 CFCDRN CCN1C(=O)/C(=C/c2scnc2C)SC1=S ZINC000266224375 521512852 /nfs/dbraw/zinc/51/28/52/521512852.db2.gz RHNBNMXQIFPXJA-YWEYNIOJSA-N 0 0 270.404 2.673 20 10 CFCDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C(=O)[O-])cc1 ZINC000284383180 521651003 /nfs/dbraw/zinc/65/10/03/521651003.db2.gz YHVBJTBFVRIQOB-ZDUSSCGKSA-N 0 0 278.396 2.876 20 10 CFCDRN CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000087014018 521657482 /nfs/dbraw/zinc/65/74/82/521657482.db2.gz UNKIRYOJSWGDBE-JTQLQIEISA-N 0 0 255.333 2.733 20 10 CFCDRN CCC1(C(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000094897666 521666349 /nfs/dbraw/zinc/66/63/49/521666349.db2.gz GZRONUXMUJTMFJ-UHFFFAOYSA-N 0 0 260.381 2.898 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NCC(F)(F)F ZINC000263746098 521687823 /nfs/dbraw/zinc/68/78/23/521687823.db2.gz WJEMMAIOHAOWGS-UHFFFAOYSA-N 0 0 290.285 2.876 20 10 CFCDRN CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000187165954 521726303 /nfs/dbraw/zinc/72/63/03/521726303.db2.gz ZRNJXPBYMDBBSR-ZYHUDNBSSA-N 0 0 281.377 2.502 20 10 CFCDRN CCS[C@H]1CCCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236912810 521730160 /nfs/dbraw/zinc/73/01/60/521730160.db2.gz MMOLQLFJCCBGDX-HNNXBMFYSA-N 0 0 292.448 2.946 20 10 CFCDRN CCS[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000236916525 521731711 /nfs/dbraw/zinc/73/17/11/521731711.db2.gz JUUFEZKUVUNJCB-GJZGRUSLSA-N 0 0 292.448 2.992 20 10 CFCDRN CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000098074517 521840290 /nfs/dbraw/zinc/84/02/90/521840290.db2.gz QLSOYJWBPFKABW-OAHLLOKOSA-N 0 0 299.370 2.950 20 10 CFCDRN CC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264646855 521905749 /nfs/dbraw/zinc/90/57/49/521905749.db2.gz GAEOBMPCRLVLOY-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000177674953 522167147 /nfs/dbraw/zinc/16/71/47/522167147.db2.gz DPABQMKPACKBFL-OAHLLOKOSA-N 0 0 290.407 2.528 20 10 CFCDRN CN(C)c1ccc(CNC(=O)C2CCSCC2)cc1F ZINC000264842759 522183853 /nfs/dbraw/zinc/18/38/53/522183853.db2.gz KINVIHYWALSTJS-UHFFFAOYSA-N 0 0 296.411 2.651 20 10 CFCDRN CN(C)c1ccc(CN2C[C@H](CO)c3ccccc32)cc1 ZINC000292832702 522185224 /nfs/dbraw/zinc/18/52/24/522185224.db2.gz ZANMBPXCXNYYCR-OAHLLOKOSA-N 0 0 282.387 2.849 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000075498783 522193263 /nfs/dbraw/zinc/19/32/63/522193263.db2.gz LGFDGWDOQQBJJF-GASCZTMLSA-N 0 0 287.407 2.550 20 10 CFCDRN CN(C)c1ccc(CNC(=O)NC2(C)CCC2)cc1F ZINC000160302627 522194664 /nfs/dbraw/zinc/19/46/64/522194664.db2.gz PLGQLYAFQPJVNC-UHFFFAOYSA-N 0 0 279.359 2.634 20 10 CFCDRN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000050507906 522210833 /nfs/dbraw/zinc/21/08/33/522210833.db2.gz MRPQGJUFPVUIHF-INIZCTEOSA-N 0 0 284.359 2.668 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC=CO1 ZINC000194694500 522255361 /nfs/dbraw/zinc/25/53/61/522255361.db2.gz ADLDUQUIYFQVSV-CQSZACIVSA-N 0 0 274.364 2.644 20 10 CFCDRN CCc1ncnc(NCc2ccc(N(C)C)cc2)c1F ZINC000270501854 522609830 /nfs/dbraw/zinc/60/98/30/522609830.db2.gz GPHRCGATJZTKSR-UHFFFAOYSA-N 0 0 274.343 2.856 20 10 CFCDRN CCc1ncsc1C(=O)N(C)Cc1ccccc1O ZINC000162617611 522612755 /nfs/dbraw/zinc/61/27/55/522612755.db2.gz SVIFWFDTNJNVLQ-UHFFFAOYSA-N 0 0 276.361 2.683 20 10 CFCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(C)cs1 ZINC000236916174 522697351 /nfs/dbraw/zinc/69/73/51/522697351.db2.gz UVNDSQOOYIXOGC-CYBMUJFWSA-N 0 0 289.404 2.844 20 10 CFCDRN CCc1nn(C)cc1NCc1c(O)cccc1Cl ZINC000222945678 522700302 /nfs/dbraw/zinc/70/03/02/522700302.db2.gz RSMIRJNDDMVFEQ-UHFFFAOYSA-N 0 0 265.744 2.954 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(Cl)c1[O-] ZINC000287740568 522711327 /nfs/dbraw/zinc/71/13/27/522711327.db2.gz PQSSRRIGCFFAHF-QWHCGFSZSA-N 0 0 296.798 2.755 20 10 CFCDRN COc1cc(O)c(CNc2cccc(CO)c2)cc1OC ZINC000191944477 522782175 /nfs/dbraw/zinc/78/21/75/522782175.db2.gz RALKQSLSSJJAFJ-UHFFFAOYSA-N 0 0 289.331 2.514 20 10 CFCDRN CC[C@@H]([NH2+]CCCCCO)c1ccc(F)cc1[O-] ZINC000287493331 522827050 /nfs/dbraw/zinc/82/70/50/522827050.db2.gz NLBXIGLIKWXVJM-CYBMUJFWSA-N 0 0 255.333 2.735 20 10 CFCDRN CN(CCO)c1ccc(OCc2ccccc2)cc1 ZINC000189643516 522886818 /nfs/dbraw/zinc/88/68/18/522886818.db2.gz IGSJZIIECFMKON-UHFFFAOYSA-N 0 0 257.333 2.694 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(F)cc1[O-] ZINC000285511882 522934013 /nfs/dbraw/zinc/93/40/13/522934013.db2.gz ARHAGPBVZYXVAN-ZWNOBZJWSA-N 0 0 255.333 2.997 20 10 CFCDRN COCCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224573366 523131671 /nfs/dbraw/zinc/13/16/71/523131671.db2.gz NCBSDSDUJTVCCF-UHFFFAOYSA-N 0 0 257.761 2.952 20 10 CFCDRN CC[C@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000291972495 523168896 /nfs/dbraw/zinc/16/88/96/523168896.db2.gz WEKRCSQPGNYSHS-HNNXBMFYSA-N 0 0 287.407 2.763 20 10 CFCDRN COCc1nc(CNCc2cc(C)c(C)cc2O)cs1 ZINC000289676437 523201296 /nfs/dbraw/zinc/20/12/96/523201296.db2.gz CFMORILNJNWYHO-UHFFFAOYSA-N 0 0 292.404 2.902 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H](O)CC(C)(C)C ZINC000292202930 523378736 /nfs/dbraw/zinc/37/87/36/523378736.db2.gz PLGOYCRMHDDRRB-CYBMUJFWSA-N 0 0 279.380 2.538 20 10 CFCDRN COC(=O)[C@@H](c1ccsc1)N(C)Cc1ccccc1O ZINC000280125888 523660713 /nfs/dbraw/zinc/66/07/13/523660713.db2.gz VNYYVOOOQNJRMT-CQSZACIVSA-N 0 0 291.372 2.800 20 10 CFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1 ZINC000180901342 523772146 /nfs/dbraw/zinc/77/21/46/523772146.db2.gz WZXARGYTMYODKH-VQHVLOKHSA-N 0 0 261.321 2.512 20 10 CFCDRN CCc1cc(CC)nc(NCc2ccccc2O)n1 ZINC000286474942 523788383 /nfs/dbraw/zinc/78/83/83/523788383.db2.gz YOSHWTJAJZINHK-UHFFFAOYSA-N 0 0 257.337 2.919 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000191426794 523808905 /nfs/dbraw/zinc/80/89/05/523808905.db2.gz PTUDFGXGQULWTQ-MRXNPFEDSA-N 0 0 290.407 2.972 20 10 CFCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372461684 523863714 /nfs/dbraw/zinc/86/37/14/523863714.db2.gz APFZWDKYTBLZKI-ZDUSSCGKSA-N 0 0 289.423 2.866 20 10 CFCDRN Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000298415885 524101149 /nfs/dbraw/zinc/10/11/49/524101149.db2.gz PKWLYXFJKDNNPZ-SMDDNHRTSA-N 0 0 283.375 2.875 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccn1 ZINC000279344655 524106301 /nfs/dbraw/zinc/10/63/01/524106301.db2.gz ZKAYROLEKIPQEZ-UHFFFAOYSA-N 0 0 295.386 2.702 20 10 CFCDRN C[C@H](CCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000094942613 524149935 /nfs/dbraw/zinc/14/99/35/524149935.db2.gz BEIOPDVCDVXMPE-MRVPVSSYSA-N 0 0 278.179 2.950 20 10 CFCDRN C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC000274960694 524221739 /nfs/dbraw/zinc/22/17/39/524221739.db2.gz UAUVWMLHGONSDW-QWRGUYRKSA-N 0 0 279.380 2.827 20 10 CFCDRN COc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1F ZINC000121723534 524350548 /nfs/dbraw/zinc/35/05/48/524350548.db2.gz GZGNBHYLXSNACO-GFCCVEGCSA-N 0 0 294.370 2.672 20 10 CFCDRN COc1ccc(N(C)Cc2ncc(C)o2)c(OC)c1 ZINC000132056875 524354803 /nfs/dbraw/zinc/35/48/03/524354803.db2.gz ZDMAVPOVWSRZJF-UHFFFAOYSA-N 0 0 262.309 2.637 20 10 CFCDRN COc1ccc(N(CCO)Cc2cccs2)cc1 ZINC000173210009 524367641 /nfs/dbraw/zinc/36/76/41/524367641.db2.gz HILFSXHIMGKJRI-UHFFFAOYSA-N 0 0 263.362 2.756 20 10 CFCDRN COc1ccc(N(Cc2nnc(C)[nH]2)[C@H](C)C2CC2)cc1 ZINC000293253306 524369921 /nfs/dbraw/zinc/36/99/21/524369921.db2.gz ROOHQIVPHQECGX-LLVKDONJSA-N 0 0 286.379 2.927 20 10 CFCDRN COc1ccc(N(Cc2nonc2C)C(C)C)cc1F ZINC000265116439 524370719 /nfs/dbraw/zinc/37/07/19/524370719.db2.gz IRXHNOFJOHGWBR-UHFFFAOYSA-N 0 0 279.315 2.941 20 10 CFCDRN COc1ccc(N(Cc2cnnn2C)[C@@H](C)C2CC2)cc1 ZINC000289425983 524370790 /nfs/dbraw/zinc/37/07/90/524370790.db2.gz WXDLXLWRIRSMSY-LBPRGKRZSA-N 0 0 286.379 2.629 20 10 CFCDRN COc1ccc(N2CCC(Nc3cnccn3)CC2)cc1 ZINC000301192724 524402548 /nfs/dbraw/zinc/40/25/48/524402548.db2.gz SITVDCZUYIYSQB-UHFFFAOYSA-N 0 0 284.363 2.566 20 10 CFCDRN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)no1 ZINC000102675134 524660405 /nfs/dbraw/zinc/66/04/05/524660405.db2.gz ILYGCXHRURUUNY-UHFFFAOYSA-N 0 0 259.353 2.681 20 10 CFCDRN Cc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)no1 ZINC000293358019 524662136 /nfs/dbraw/zinc/66/21/36/524662136.db2.gz DZVNFKPTGVTZLR-UHFFFAOYSA-N 0 0 273.380 2.989 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)C1CC1 ZINC000293424921 524696443 /nfs/dbraw/zinc/69/64/43/524696443.db2.gz IPGKHDRRWZVNGB-LLVKDONJSA-N 0 0 291.391 2.971 20 10 CFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cncc(Cl)n1 ZINC000302862086 524699699 /nfs/dbraw/zinc/69/96/99/524699699.db2.gz QVWKGWLXSPWALK-MRVPVSSYSA-N 0 0 279.727 2.584 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000224919600 524810741 /nfs/dbraw/zinc/81/07/41/524810741.db2.gz YNWAQQAEIJYVKC-ONGXEEELSA-N 0 0 255.745 2.703 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCC[C@@](F)(CO)C2)c1O ZINC000289678605 524865317 /nfs/dbraw/zinc/86/53/17/524865317.db2.gz DXMHLZVAFQKASP-AWEZNQCLSA-N 0 0 287.762 2.650 20 10 CFCDRN COc1ncccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290805345 525044756 /nfs/dbraw/zinc/04/47/56/525044756.db2.gz FRXUWXYBVJZEQA-UHFFFAOYSA-N 0 0 292.766 2.782 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000172691004 525079859 /nfs/dbraw/zinc/07/98/59/525079859.db2.gz PSQUKSWIYLWZIZ-ZDUSSCGKSA-N 0 0 285.391 2.661 20 10 CFCDRN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(F)c(F)c1[O-] ZINC000276875659 525318207 /nfs/dbraw/zinc/31/82/07/525318207.db2.gz FMDFZNOMFAKLTQ-JTQLQIEISA-N 0 0 284.350 2.805 20 10 CFCDRN Cc1ccc(O)c(CNc2nnc(C(C)(C)C)o2)c1 ZINC000185887272 525355521 /nfs/dbraw/zinc/35/55/21/525355521.db2.gz FTVZLPDLXIKOIN-UHFFFAOYSA-N 0 0 261.325 2.993 20 10 CFCDRN C[C@H]([NH2+]CCOCC1CC1)c1ccc(F)cc1[O-] ZINC000230661278 525357000 /nfs/dbraw/zinc/35/70/00/525357000.db2.gz MENUIBLROCHPTQ-JTQLQIEISA-N 0 0 253.317 2.609 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccncc1)c1ccc(F)cc1[O-] ZINC000062747671 525465385 /nfs/dbraw/zinc/46/53/85/525465385.db2.gz XNVLYDJNRPGYBQ-LLVKDONJSA-N 0 0 260.312 2.820 20 10 CFCDRN C[C@H]([NH2+]Cc1nccs1)c1ccc(F)cc1[O-] ZINC000062748086 525491441 /nfs/dbraw/zinc/49/14/41/525491441.db2.gz HKEUEROQRIYSMH-QMMMGPOBSA-N 0 0 252.314 2.839 20 10 CFCDRN C[C@@H](NCc1ccc2c(c1)CCN2C)c1nccs1 ZINC000080265222 525530314 /nfs/dbraw/zinc/53/03/14/525530314.db2.gz JWZJINFRUOLGKF-LLVKDONJSA-N 0 0 273.405 2.986 20 10 CFCDRN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(F)cc1[O-] ZINC000290267617 525540200 /nfs/dbraw/zinc/54/02/00/525540200.db2.gz VWJVAWDNCLLEFA-HZMBPMFUSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000274944908 525558583 /nfs/dbraw/zinc/55/85/83/525558583.db2.gz GAKISHCQCONDTO-LLVKDONJSA-N 0 0 285.395 2.599 20 10 CFCDRN C[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000078781311 525728858 /nfs/dbraw/zinc/72/88/58/525728858.db2.gz OSPQDFIIWICFFL-ZETCQYMHSA-N 0 0 264.152 2.560 20 10 CFCDRN C[C@@H](Nc1ncnc(N)c1Cl)c1ccc(N(C)C)cc1 ZINC000302826088 525732948 /nfs/dbraw/zinc/73/29/48/525732948.db2.gz HDQZAGQAXBAANZ-SECBINFHSA-N 0 0 291.786 2.951 20 10 CFCDRN CS[C@H](C)C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364720514 525851029 /nfs/dbraw/zinc/85/10/29/525851029.db2.gz DGPQETAAPGQIIE-GFCCVEGCSA-N 0 0 290.432 2.730 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)CCCO1 ZINC000336224688 525974723 /nfs/dbraw/zinc/97/47/23/525974723.db2.gz DITYMUSWEYEYLM-KRWDZBQOSA-N 0 0 286.375 2.672 20 10 CFCDRN C[C@@H](Sc1ncc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000281813035 526004566 /nfs/dbraw/zinc/00/45/66/526004566.db2.gz GZQVYPSLGHMFHW-ZCFIWIBFSA-N 0 0 290.366 2.874 20 10 CFCDRN Cc1ccc2c(c1)/C(=C\c1cn(C(C)(C)C)nn1)C(=O)N2C ZINC000290467862 526137210 /nfs/dbraw/zinc/13/72/10/526137210.db2.gz GFTXADMNFFQNJB-NTEUORMPSA-N 0 0 296.374 2.859 20 10 CFCDRN Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c(O)c1O ZINC000291918435 526218110 /nfs/dbraw/zinc/21/81/10/526218110.db2.gz AUBZFCGQJMAGAO-UHFFFAOYSA-N 0 0 284.315 2.931 20 10 CFCDRN Cc1cc(C(=O)N(C)CCF)c(C)n1-c1ccccn1 ZINC000294540858 526219356 /nfs/dbraw/zinc/21/93/56/526219356.db2.gz VLMZBMGPJGNTHI-UHFFFAOYSA-N 0 0 275.327 2.531 20 10 CFCDRN Cc1cc(C(=O)N(CCO)C2CC2)c(C)n1-c1ccccc1 ZINC000268897557 526230586 /nfs/dbraw/zinc/23/05/86/526230586.db2.gz XYGOLBHBUMCOKT-UHFFFAOYSA-N 0 0 298.386 2.691 20 10 CFCDRN Cc1nnc([C@H](C)N[C@H](C)c2ccccc2O)s1 ZINC000274275157 526406221 /nfs/dbraw/zinc/40/62/21/526406221.db2.gz XKENSQJMEMLXIT-BDAKNGLRSA-N 0 0 263.366 2.964 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)C1=CCCCCC1 ZINC000131828118 526408662 /nfs/dbraw/zinc/40/86/62/526408662.db2.gz BQULJAPSWLZMPL-UHFFFAOYSA-N 0 0 275.348 2.647 20 10 CFCDRN c1csc(SCc2nnc3n2CCCCC3)n1 ZINC000365079781 526584055 /nfs/dbraw/zinc/58/40/55/526584055.db2.gz ADDYPPHBBJYQPL-UHFFFAOYSA-N 0 0 266.395 2.753 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1CCC1 ZINC000264444501 526681496 /nfs/dbraw/zinc/68/14/96/526681496.db2.gz NKNFQPFKJZYSAJ-UHFFFAOYSA-N 0 0 273.380 2.639 20 10 CFCDRN Cc1ncsc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046743078 527474683 /nfs/dbraw/zinc/47/46/83/527474683.db2.gz VIVJNSAGSJXOAQ-UHFFFAOYSA-N 0 0 289.404 2.790 20 10 CFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087765619 527475844 /nfs/dbraw/zinc/47/58/44/527475844.db2.gz PFBFYBOHEHKXMR-ZFWWWQNUSA-N 0 0 258.365 2.602 20 10 CFCDRN Nc1ccc(CCNC(=O)CCCc2ccccc2)cc1 ZINC000040675672 527479286 /nfs/dbraw/zinc/47/92/86/527479286.db2.gz HKFMUWAIDCHVOL-UHFFFAOYSA-N 0 0 282.387 2.950 20 10 CFCDRN Nc1ccc(NC(=O)CSC[C@H]2CCCCO2)cc1 ZINC000160421511 527491815 /nfs/dbraw/zinc/49/18/15/527491815.db2.gz XAJVCKXUBJRBOA-CYBMUJFWSA-N 0 0 280.393 2.510 20 10 CFCDRN Nc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000237981749 527492040 /nfs/dbraw/zinc/49/20/40/527492040.db2.gz 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Nc1ccc(CC(=O)NCCCCc2ccccc2)cc1 ZINC000746411249 574148457 /nfs/dbraw/zinc/14/84/57/574148457.db2.gz SXFXGRIRKGTPKX-UHFFFAOYSA-N 0 0 282.387 2.950 20 10 CFCDRN CCO[C@@H](CCNC(=O)C1=CC(=O)CS1)C(C)C ZINC000746409603 574148635 /nfs/dbraw/zinc/14/86/35/574148635.db2.gz HWXONKROTZDFKA-NSHDSACASA-N 0 0 271.382 2.635 20 10 CFCDRN Cc1occc1CN(C)C(=O)C1=CC(=O)CS1 ZINC000732275707 574149589 /nfs/dbraw/zinc/14/95/89/574149589.db2.gz IUUJBIFEQGWZIQ-UHFFFAOYSA-N 0 0 251.307 2.627 20 10 CFCDRN COC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732284193 574150012 /nfs/dbraw/zinc/15/00/12/574150012.db2.gz NQUNIHWBBQWZJZ-GFCCVEGCSA-N 0 0 277.345 2.571 20 10 CFCDRN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1=CC(=O)CS1 ZINC000755297403 574152824 /nfs/dbraw/zinc/15/28/24/574152824.db2.gz SJEVQKPOGJBFIP-CYZMBNFOSA-N 0 0 293.388 2.531 20 10 CFCDRN O=C(OCCOc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000732353968 574153181 /nfs/dbraw/zinc/15/31/81/574153181.db2.gz XJEGXHQFSIRVDV-UHFFFAOYSA-N 0 0 282.292 2.829 20 10 CFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1COc2ccccc21 ZINC000755308400 574153332 /nfs/dbraw/zinc/15/33/32/574153332.db2.gz YRCJFNJKQXSPJU-SKDRFNHKSA-N 0 0 289.356 2.748 20 10 CFCDRN CN1CCc2cc(CNC(=O)Cc3ccccc3)ccc21 ZINC000169817970 574156413 /nfs/dbraw/zinc/15/64/13/574156413.db2.gz UVDNIUMRXBGWNA-UHFFFAOYSA-N 0 0 280.371 2.538 20 10 CFCDRN COC1CN(Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000738225268 574160655 /nfs/dbraw/zinc/16/06/55/574160655.db2.gz LHVKTSQZOKSGJG-UHFFFAOYSA-N 0 0 287.359 2.848 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)[nH]1 ZINC000746813137 574166832 /nfs/dbraw/zinc/16/68/32/574166832.db2.gz UCJOLETWURUVMR-UHFFFAOYSA-N 0 0 297.402 2.944 20 10 CFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)[nH]1 ZINC000746803404 574166842 /nfs/dbraw/zinc/16/68/42/574166842.db2.gz XEIOVVGRLBIPNM-UHFFFAOYSA-N 0 0 289.354 2.767 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2S1 ZINC000755600422 574170694 /nfs/dbraw/zinc/17/06/94/574170694.db2.gz PLVDZLIOZBOJIG-KRZKBDHCSA-N 0 0 299.399 2.961 20 10 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AKIKDVUGQPJXMC-QWRGUYRKSA-N 0 0 275.327 2.603 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000756545594 574245892 /nfs/dbraw/zinc/24/58/92/574245892.db2.gz NFNMUFNBJCOUIF-KOLCDFICSA-N 0 0 282.334 2.558 20 10 CFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000748325108 574247075 /nfs/dbraw/zinc/24/70/75/574247075.db2.gz LEILPRJNILKRNU-UHFFFAOYSA-N 0 0 270.332 2.700 20 10 CFCDRN O=C(NCc1ccccc1O)Nc1cccnc1Cl ZINC000748326087 574247363 /nfs/dbraw/zinc/24/73/63/574247363.db2.gz ZJHBQRUUPLEDPN-UHFFFAOYSA-N 0 0 277.711 2.762 20 10 CFCDRN O=C(NCc1ccccc1O)c1cc(-c2ccccc2)no1 ZINC000748344789 574247650 /nfs/dbraw/zinc/24/76/50/574247650.db2.gz CCLONIMHKXHNEN-UHFFFAOYSA-N 0 0 294.310 2.977 20 10 CFCDRN COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000756597884 574251080 /nfs/dbraw/zinc/25/10/80/574251080.db2.gz QPQIEUHQYYUWEY-GXFFZTMASA-N 0 0 282.340 2.622 20 10 CFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1nccs1 ZINC000730086002 574251678 /nfs/dbraw/zinc/25/16/78/574251678.db2.gz XGOMZKGMBWPUAT-HJWRWDBZSA-N 0 0 279.390 2.599 20 10 CFCDRN O=C([O-])N1CCC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000740512912 574252550 /nfs/dbraw/zinc/25/25/50/574252550.db2.gz QTDODEBPPWLQIX-SNVBAGLBSA-N 0 0 298.770 2.525 20 10 CFCDRN C[C@@H](NCc1ccon1)c1cc(Cl)ccc1O ZINC000756637078 574254098 /nfs/dbraw/zinc/25/40/98/574254098.db2.gz LWOGUARDCDMGKQ-MRVPVSSYSA-N 0 0 252.701 2.884 20 10 CFCDRN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(F)cc(F)c1[O-] ZINC000756648088 574255105 /nfs/dbraw/zinc/25/51/05/574255105.db2.gz YHHGMKRIQSDNMV-NHCYSSNCSA-N 0 0 285.334 2.872 20 10 CFCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1(C)C ZINC000756650232 574255263 /nfs/dbraw/zinc/25/52/63/574255263.db2.gz UUBRQAXFNCMYQW-BIGNPOOSSA-N 0 0 294.351 2.765 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000756661379 574256401 /nfs/dbraw/zinc/25/64/01/574256401.db2.gz RGRSOPVKXKFBMG-NEPJUHHUSA-N 0 0 293.338 2.626 20 10 CFCDRN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756673447 574256965 /nfs/dbraw/zinc/25/69/65/574256965.db2.gz ZFXPLCSOYLRZMF-NXEZZACHSA-N 0 0 281.306 2.606 20 10 CFCDRN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C\c1cnccn1 ZINC000748578339 574259092 /nfs/dbraw/zinc/25/90/92/574259092.db2.gz PJWIIAGEKGELRE-RYWCDNDXSA-N 0 0 295.342 2.612 20 10 CFCDRN C[C@@H]([NH2+]Cc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769426 574261311 /nfs/dbraw/zinc/26/13/11/574261311.db2.gz QPFWUVLPBDICDK-SECBINFHSA-N 0 0 291.282 2.685 20 10 CFCDRN CCc1nnc([C@H](C)N[C@H](C)c2cc(F)ccc2O)[nH]1 ZINC000756778042 574262206 /nfs/dbraw/zinc/26/22/06/574262206.db2.gz LVHWVDCJSNMUEI-BDAKNGLRSA-N 0 0 278.331 2.624 20 10 CFCDRN Cc1cccc2c1CCCN2C(=O)/C=C\c1cnccn1 ZINC000733944961 574264510 /nfs/dbraw/zinc/26/45/10/574264510.db2.gz RKHNNQCPXDHESD-FPLPWBNLSA-N 0 0 279.343 2.778 20 10 CFCDRN C[C@@H]1C[C@@H](NCc2cocn2)c2c1c(F)ccc2O ZINC000756829783 574266165 /nfs/dbraw/zinc/26/61/65/574266165.db2.gz BUWXNLAKTVCURM-LDYMZIIASA-N 0 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2.526 20 10 CFCDRN CCOc1ccc(N(CC)CCCC(=O)OC)cc1 ZINC000735310284 574320590 /nfs/dbraw/zinc/32/05/90/574320590.db2.gz XBSKZMPGJAJHFN-UHFFFAOYSA-N 0 0 265.353 2.865 20 10 CFCDRN COc1cc(C)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000735487224 574326731 /nfs/dbraw/zinc/32/67/31/574326731.db2.gz SZYXXGQCSALKRL-UHFFFAOYSA-N 0 0 290.342 2.611 20 10 CFCDRN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000735487237 574326746 /nfs/dbraw/zinc/32/67/46/574326746.db2.gz DZSAFVGOYICPPX-VIFPVBQESA-N 0 0 289.291 2.877 20 10 CFCDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000725849777 574330946 /nfs/dbraw/zinc/33/09/46/574330946.db2.gz XNECYDJAGVBYOZ-JTQLQIEISA-N 0 0 273.292 2.546 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc2c(n1)CCCC2 ZINC000750788633 574355908 /nfs/dbraw/zinc/35/59/08/574355908.db2.gz NWAZWANZEYMOCP-UHFFFAOYSA-N 0 0 282.343 2.596 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C(F)(F)F)c1 ZINC000743337573 574358857 /nfs/dbraw/zinc/35/88/57/574358857.db2.gz WWBIUKKQMIEYLR-HTQZYQBOSA-N 0 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295.404 2.733 20 10 CFCDRN CN(C[C@@H]1CC=CCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000753108274 574398563 /nfs/dbraw/zinc/39/85/63/574398563.db2.gz SIDBTUZMIYPEGO-QSYFUGGGSA-N 0 0 287.359 2.926 20 10 CFCDRN CS[C@@H](CNC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000753473843 574402863 /nfs/dbraw/zinc/40/28/63/574402863.db2.gz MGNZLSOOFTTXOL-JTQLQIEISA-N 0 0 273.423 2.961 20 10 CFCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(C)ccc1O ZINC000753573024 574405069 /nfs/dbraw/zinc/40/50/69/574405069.db2.gz XRWPICKBGGGBNK-AWEZNQCLSA-N 0 0 277.364 2.522 20 10 CFCDRN Cc1cc(Br)c(O)c(CN2CC(F)C2)c1 ZINC000753576422 574405194 /nfs/dbraw/zinc/40/51/94/574405194.db2.gz MYRGESMCZYYEJH-UHFFFAOYSA-N 0 0 274.133 2.617 20 10 CFCDRN O=C([O-])C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000086727279 596913177 /nfs/dbraw/zinc/91/31/77/596913177.db2.gz XLFJDWCKYRYIQY-UHFFFAOYSA-N 0 0 285.343 2.842 20 10 CFCDRN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000819380965 597045710 /nfs/dbraw/zinc/04/57/10/597045710.db2.gz WCBMXVVTRUDVBB-LBPRGKRZSA-N 0 0 289.375 2.568 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccccc1O ZINC000820141612 598173873 /nfs/dbraw/zinc/17/38/73/598173873.db2.gz FNVZYNATULKGEN-LLVKDONJSA-N 0 0 271.316 2.941 20 10 CFCDRN CC(C)C[N@H+](CCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000833486686 604579016 /nfs/dbraw/zinc/57/90/16/604579016.db2.gz OPZZHSMOVORPEL-UHFFFAOYSA-N 0 0 278.396 2.685 20 10 CFCDRN Cc1cc(O)c(C[N@@H+](CCC(=O)[O-])CC(C)C)cc1C ZINC000833746631 604580136 /nfs/dbraw/zinc/58/01/36/604580136.db2.gz FCYXRYZSXAVXCN-UHFFFAOYSA-N 0 0 279.380 2.942 20 10 CFCDRN COc1cccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c1O ZINC000315220866 604641504 /nfs/dbraw/zinc/64/15/04/604641504.db2.gz ZZANBGXDFVSCAA-UHFFFAOYSA-N 0 0 293.363 2.620 20 10 CFCDRN COc1ccc(O)c(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000833733826 605519785 /nfs/dbraw/zinc/51/97/85/605519785.db2.gz RRHFWBBSICTVAN-XJKSGUPXSA-N 0 0 293.363 2.524 20 10 CFCDRN C[C@H](C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1)C(=O)[O-] ZINC000833516549 605750716 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ZINC000076966681 617989202 /nfs/dbraw/zinc/98/92/02/617989202.db2.gz IABNJUDYNCVYQQ-AWEZNQCLSA-N 0 0 283.327 2.575 20 10 CFCDRN CCOC(=O)CN(c1ccc(OC)c(F)c1)C(C)C ZINC000160207294 617610603 /nfs/dbraw/zinc/61/06/03/617610603.db2.gz WDQUXCXLGSSITC-UHFFFAOYSA-N 0 0 269.316 2.612 20 10 CFCDRN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000233984564 617664192 /nfs/dbraw/zinc/66/41/92/617664192.db2.gz VAQYCTHOOVYLKH-OAHLLOKOSA-N 0 0 281.327 2.608 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000891608746 617685184 /nfs/dbraw/zinc/68/51/84/617685184.db2.gz XOOHDCAXBCTLJY-FVQBIDKESA-N 0 0 287.407 2.740 20 10 CFCDRN c1cn2ccnc(NCc3ccc(N4CCCC4)cc3)c2n1 ZINC000891796432 617758017 /nfs/dbraw/zinc/75/80/17/617758017.db2.gz NEVQMPNMZKIOQB-UHFFFAOYSA-N 0 0 293.374 2.942 20 10 CFCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000255053850 617821011 /nfs/dbraw/zinc/82/10/11/617821011.db2.gz AGRIXTYFFNOCJP-YVMONPNESA-N 0 0 268.316 2.772 20 10 CFCDRN C[C@@H](NCc1cscn1)c1cc(F)ccc1O ZINC000094618222 617856561 /nfs/dbraw/zinc/85/65/61/617856561.db2.gz NGWMUSPOBLQYMJ-MRVPVSSYSA-N 0 0 252.314 2.839 20 10 CFCDRN CCOC(=O)c1cnc(CC)nc1Sc1nccs1 ZINC000891964603 617883221 /nfs/dbraw/zinc/88/32/21/617883221.db2.gz UXENSDADMYEQFG-UHFFFAOYSA-N 0 0 295.389 2.823 20 10 CFCDRN Nc1ccc(CCNC(=O)N(CC(F)F)C2CCC2)cc1 ZINC000892039139 617922768 /nfs/dbraw/zinc/92/27/68/617922768.db2.gz PZAGOAFESJGKSX-UHFFFAOYSA-N 0 0 297.349 2.641 20 10 CFCDRN COC(=O)c1cnc(SCc2ccc(C)nc2)s1 ZINC000848439037 617944820 /nfs/dbraw/zinc/94/48/20/617944820.db2.gz KHPVOAITYLRMTK-UHFFFAOYSA-N 0 0 280.374 2.925 20 10 CFCDRN O=C(Cc1ccc(Cl)cc1)NCc1ccccc1O ZINC000082286718 618015321 /nfs/dbraw/zinc/01/53/21/618015321.db2.gz CHBOKHDOFBFHCG-UHFFFAOYSA-N 0 0 275.735 2.905 20 10 CFCDRN CC[C@H]([NH2+]Cc1cncn1C)c1ccc(F)cc1[O-] ZINC000289572183 618077805 /nfs/dbraw/zinc/07/78/05/618077805.db2.gz BASJYSUYWGRLIY-ZDUSSCGKSA-N 0 0 263.316 2.506 20 10 CFCDRN CCc1nnc(Sc2ncc([N+](=O)[O-])s2)s1 ZINC000060215944 618133735 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ZINC000049317881 618302780 /nfs/dbraw/zinc/30/27/80/618302780.db2.gz HFFSDOJRESWLDR-BQYQJAHWSA-N 0 0 269.348 2.713 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1cnc(C)cn1 ZINC000749436600 618306978 /nfs/dbraw/zinc/30/69/78/618306978.db2.gz NTFXBFPBOUDHLW-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN CC(C)[C@H]1C[N@H+](Cc2ccccc2O)CCS1 ZINC000179584754 618327613 /nfs/dbraw/zinc/32/76/13/618327613.db2.gz WUROSISWTMGORA-CQSZACIVSA-N 0 0 251.395 2.966 20 10 CFCDRN C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775674515 618330718 /nfs/dbraw/zinc/33/07/18/618330718.db2.gz GHTSNNSMHWUSRU-LBPRGKRZSA-N 0 0 286.778 2.711 20 10 CFCDRN CCC1=C(C(=O)N(C)Cc2ccccc2O)CCCO1 ZINC000189364842 618335091 /nfs/dbraw/zinc/33/50/91/618335091.db2.gz OGMZCGLUXVLNHC-UHFFFAOYSA-N 0 0 275.348 2.825 20 10 CFCDRN CCN(CC)c1ccc(CNc2nc(C)nn2C)cc1F ZINC000162477972 618337100 /nfs/dbraw/zinc/33/71/00/618337100.db2.gz OSOVOJGCHDYAJN-UHFFFAOYSA-N 0 0 291.374 2.721 20 10 CFCDRN CCCCOC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829912 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618466201 /nfs/dbraw/zinc/46/62/01/618466201.db2.gz ATTICTFKPWVNAN-UHFFFAOYSA-N 0 0 257.289 2.967 20 10 CFCDRN Cc1ccc(C(=O)NCCCC(C)C)c(O)c1O ZINC000177670453 618469528 /nfs/dbraw/zinc/46/95/28/618469528.db2.gz DTWOXJDPHWXOKB-UHFFFAOYSA-N 0 0 251.326 2.572 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(O)c1 ZINC000177664256 618469598 /nfs/dbraw/zinc/46/95/98/618469598.db2.gz YRNHIXGXCAPGNW-UHFFFAOYSA-N 0 0 273.288 2.673 20 10 CFCDRN Cc1ccc(O)c(CN2c3ccccc3C[C@H]2CO)c1 ZINC000895244755 618495304 /nfs/dbraw/zinc/49/53/04/618495304.db2.gz NUWTUVDUGXMVNZ-HNNXBMFYSA-N 0 0 269.344 2.624 20 10 CFCDRN Oc1cccc(Br)c1CN1CC[C@H]1C(F)F ZINC000895431849 618579448 /nfs/dbraw/zinc/57/94/48/618579448.db2.gz QTXSXOMDTHBWLZ-VIFPVBQESA-N 0 0 292.123 2.994 20 10 CFCDRN CCOc1ccc(CN2CC[C@@H]2C(F)F)c(O)c1 ZINC000895438190 618585495 /nfs/dbraw/zinc/58/54/95/618585495.db2.gz ZHISMDHKKDTINY-LLVKDONJSA-N 0 0 257.280 2.630 20 10 CFCDRN CN(C)c1ccc(CNC(=O)c2cccc(F)c2F)cc1 ZINC000054214589 618585574 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618890966 /nfs/dbraw/zinc/89/09/66/618890966.db2.gz AWLVGPFZONTUSX-UHFFFAOYSA-N 0 0 263.337 2.859 20 10 CFCDRN Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)c(O)c1O ZINC000182247071 618892314 /nfs/dbraw/zinc/89/23/14/618892314.db2.gz YOJSEDFNVJPEAD-UHFFFAOYSA-N 0 0 289.335 2.610 20 10 CFCDRN CCc1ccc(O)c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000182939768 618902019 /nfs/dbraw/zinc/90/20/19/618902019.db2.gz BMEMUIRVQDQLMG-UHFFFAOYSA-N 0 0 287.315 2.927 20 10 CFCDRN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000309616963 618904861 /nfs/dbraw/zinc/90/48/61/618904861.db2.gz DCTYQRZSRJWGPK-BDAKNGLRSA-N 0 0 288.185 2.668 20 10 CFCDRN CCOC[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000313256678 618978029 /nfs/dbraw/zinc/97/80/29/618978029.db2.gz IXUIFIADEVGDSV-CQSZACIVSA-N 0 0 277.368 2.692 20 10 CFCDRN Oc1ccc(F)cc1CN1CC(F)(F)C(F)(F)C1 ZINC000313294704 618980066 /nfs/dbraw/zinc/98/00/66/618980066.db2.gz OIIUDPCIYMMXOV-UHFFFAOYSA-N 0 0 267.197 2.618 20 10 CFCDRN CC[C@H]1COCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184681981 619065879 /nfs/dbraw/zinc/06/58/79/619065879.db2.gz AGWAZMISGDSDGS-LBPRGKRZSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc2c(c1)CCCN2Cc1ccc(C)nn1 ZINC000840935922 619076952 /nfs/dbraw/zinc/07/69/52/619076952.db2.gz CEFTXHDLFLGJRG-UHFFFAOYSA-N 0 0 269.348 2.746 20 10 CFCDRN CC[C@@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000216003634 619082824 /nfs/dbraw/zinc/08/28/24/619082824.db2.gz RHWPIYHQIYWFRN-ONRRBMGISA-N 0 0 250.294 2.700 20 10 CFCDRN Cc1ccc2cc(C(=O)NCc3ccc(O)c(O)c3)[nH]c2c1 ZINC000182532482 625322405 /nfs/dbraw/zinc/32/24/05/625322405.db2.gz OIJJXYFJGOURAV-UHFFFAOYSA-N 0 0 296.326 2.818 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1C1CCCC1 ZINC000889405189 619178398 /nfs/dbraw/zinc/17/83/98/619178398.db2.gz KVCNLTPLVOTQPG-QPBFKRLHSA-N 0 0 287.359 2.902 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)F)c1 ZINC000182547497 625325328 /nfs/dbraw/zinc/32/53/28/625325328.db2.gz XVLBDAPJCHJCQD-UHFFFAOYSA-N 0 0 293.269 2.965 20 10 CFCDRN C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000237596284 619206319 /nfs/dbraw/zinc/20/63/19/619206319.db2.gz FLFFWKYSSDPTQS-SGTLLEGYSA-N 0 0 280.371 2.861 20 10 CFCDRN CC(C)[N@@H+]1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893871113 619232713 /nfs/dbraw/zinc/23/27/13/619232713.db2.gz KSVBAROZZQZFFX-UHFFFAOYSA-N 0 0 284.350 2.587 20 10 CFCDRN CC[C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726563425 619252202 /nfs/dbraw/zinc/25/22/02/619252202.db2.gz LJVJPEGHYUEFTB-CYBMUJFWSA-N 0 0 290.407 2.826 20 10 CFCDRN CCOC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000832431501 625331648 /nfs/dbraw/zinc/33/16/48/625331648.db2.gz PQXGXAGWSWVBSK-ZDUSSCGKSA-N 0 0 290.407 2.889 20 10 CFCDRN COc1ccc(N2CC[C@H](CNc3cc(C)cnn3)C2)cc1 ZINC000894270030 619297891 /nfs/dbraw/zinc/29/78/91/619297891.db2.gz XURBOZANEAAOTG-CQSZACIVSA-N 0 0 298.390 2.732 20 10 CFCDRN C[C@H](NC(=O)NC/C=C/Cl)c1ccc(N(C)C)cc1 ZINC000894282380 619306639 /nfs/dbraw/zinc/30/66/39/619306639.db2.gz CUAACQZBRNCJAA-VKJYCEFSSA-N 0 0 281.787 2.865 20 10 CFCDRN CC(=O)OC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000894514870 619406919 /nfs/dbraw/zinc/40/69/19/619406919.db2.gz PSOVSHIMVNLXAG-ZETCQYMHSA-N 0 0 292.162 2.740 20 10 CFCDRN C[C@H]1CSCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894560558 619416435 /nfs/dbraw/zinc/41/64/35/619416435.db2.gz ZQBZUEPOMVHQPN-SECBINFHSA-N 0 0 273.348 2.855 20 10 CFCDRN C[C@@H](CO)[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CCC1 ZINC000894688010 619443134 /nfs/dbraw/zinc/44/31/34/619443134.db2.gz YCIWYGRFYREGEW-JTQLQIEISA-N 0 0 285.334 2.653 20 10 CFCDRN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(F)cc(F)c4[O-])[C@H]1[C@H]3C2 ZINC000894745135 619454399 /nfs/dbraw/zinc/45/43/99/619454399.db2.gz AAUIADIDTOMQNZ-BUEXFPSZSA-N 0 0 295.329 2.526 20 10 CFCDRN Cc1nccn1CCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894776549 619462767 /nfs/dbraw/zinc/46/27/67/619462767.db2.gz HPGGBBYNKPZJIT-UHFFFAOYSA-N 0 0 295.333 2.697 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572753 619557371 /nfs/dbraw/zinc/55/73/71/619557371.db2.gz LBBIKPRDYDVWLS-QMMMGPOBSA-N 0 0 261.699 2.976 20 10 CFCDRN Cc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000895764417 619602415 /nfs/dbraw/zinc/60/24/15/619602415.db2.gz GXUZZEHMACSKSZ-UHFFFAOYSA-N 0 0 258.321 2.856 20 10 CFCDRN Cn1ncc(CN2Cc3cccc(O)c3C2)c1C1CC1 ZINC000895784307 619606190 /nfs/dbraw/zinc/60/61/90/619606190.db2.gz GWHSIBUOYKAGMW-UHFFFAOYSA-N 0 0 269.348 2.519 20 10 CFCDRN CCOc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(O)c1 ZINC000895780369 619609052 /nfs/dbraw/zinc/60/90/52/619609052.db2.gz IOSVXXNGVWHZAJ-BETUJISGSA-N 0 0 279.405 2.586 20 10 CFCDRN Cc1nc(C)c(C)c(NCc2c(O)cccc2F)n1 ZINC000895832621 619619398 /nfs/dbraw/zinc/61/93/98/619619398.db2.gz JBPHFIQDSXUKID-UHFFFAOYSA-N 0 0 261.300 2.859 20 10 CFCDRN Oc1cccc(F)c1CNc1nc(C2CC2)ns1 ZINC000895833508 619619886 /nfs/dbraw/zinc/61/98/86/619619886.db2.gz YRXSVJVSWQBWSQ-UHFFFAOYSA-N 0 0 265.313 2.872 20 10 CFCDRN C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000895884525 619627190 /nfs/dbraw/zinc/62/71/90/619627190.db2.gz PNDAXBWQUWQLLJ-UHFFFAOYSA-N 0 0 285.343 2.795 20 10 CFCDRN Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C)c1O ZINC000182620740 625360816 /nfs/dbraw/zinc/36/08/16/625360816.db2.gz QEYBJTOSGWZDSW-UHFFFAOYSA-N 0 0 287.315 2.981 20 10 CFCDRN Oc1c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)ccc2ccccc21 ZINC000896380427 619729313 /nfs/dbraw/zinc/72/93/13/619729313.db2.gz HNAJBQPSYPPWAR-OAHLLOKOSA-N 0 0 299.370 2.740 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896409802 619731196 /nfs/dbraw/zinc/73/11/96/619731196.db2.gz QWTJVTFKKOOFHM-OCCSQVGLSA-N 0 0 285.746 2.842 20 10 CFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1C=CCC1 ZINC000896418207 619733071 /nfs/dbraw/zinc/73/30/71/619733071.db2.gz KYPCQAZVRLPHMB-JTQLQIEISA-N 0 0 280.755 2.811 20 10 CFCDRN CO[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896636191 619779354 /nfs/dbraw/zinc/77/93/54/619779354.db2.gz ABGBXRRUIWCFLH-WDEREUQCSA-N 0 0 253.317 2.579 20 10 CFCDRN [O-]c1cccc(F)c1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000896637144 619779919 /nfs/dbraw/zinc/77/99/19/619779919.db2.gz JXROZDWEYJTUNV-UHFFFAOYSA-N 0 0 295.354 2.554 20 10 CFCDRN CO[C@H](C[NH2+]Cc1c([O-])cccc1F)C1CCCC1 ZINC000896636888 619779940 /nfs/dbraw/zinc/77/99/40/619779940.db2.gz GHMMDGGNBPAZGS-OAHLLOKOSA-N 0 0 267.344 2.826 20 10 CFCDRN CCc1cnc(CNCc2c(O)cccc2F)s1 ZINC000896636232 619779965 /nfs/dbraw/zinc/77/99/65/619779965.db2.gz BAFJBLKJJXMGMF-UHFFFAOYSA-N 0 0 266.341 2.840 20 10 CFCDRN COC1(C[NH2+]Cc2c([O-])cccc2F)CCCCC1 ZINC000896637167 619779969 /nfs/dbraw/zinc/77/99/69/619779969.db2.gz KBJKATIGWYWWRH-UHFFFAOYSA-N 0 0 267.344 2.970 20 10 CFCDRN CC(C)[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCO1 ZINC000896638517 619780926 /nfs/dbraw/zinc/78/09/26/619780926.db2.gz VNXJUPBZTBTWMT-ABAIWWIYSA-N 0 0 267.344 2.825 20 10 CFCDRN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)C12CCC2 ZINC000896640191 619781296 /nfs/dbraw/zinc/78/12/96/619781296.db2.gz GQZBSDWHUORPFI-KBPBESRZSA-N 0 0 265.328 2.579 20 10 CFCDRN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)C12CCC2 ZINC000896640202 619781387 /nfs/dbraw/zinc/78/13/87/619781387.db2.gz GQZBSDWHUORPFI-ZIAGYGMSSA-N 0 0 265.328 2.579 20 10 CFCDRN CC(C)n1ccnc1CNCc1c(O)cccc1F ZINC000896639494 619781791 /nfs/dbraw/zinc/78/17/91/619781791.db2.gz VHTWDWLEFVSOIC-UHFFFAOYSA-N 0 0 263.316 2.599 20 10 CFCDRN C[C@@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000896641195 619782060 /nfs/dbraw/zinc/78/20/60/619782060.db2.gz LZQXFFXVNMWNLW-QMTHXVAHSA-N 0 0 253.317 2.579 20 10 CFCDRN Cc1ncc(C[NH2+]Cc2c([O-])cccc2F)s1 ZINC000896641347 619782081 /nfs/dbraw/zinc/78/20/81/619782081.db2.gz QRZSBDQVFNBMFY-UHFFFAOYSA-N 0 0 252.314 2.586 20 10 CFCDRN Cc1cc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])nn1C ZINC000896822863 619830465 /nfs/dbraw/zinc/83/04/65/619830465.db2.gz LUZSOGAIKFLPFX-UHFFFAOYSA-N 0 0 297.761 2.559 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896850079 619841582 /nfs/dbraw/zinc/84/15/82/619841582.db2.gz IQHBJDFVMXVAFZ-WCQGTBRESA-N 0 0 297.757 2.865 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCC(C)(C)C2CC2)c1 ZINC000896972411 619907861 /nfs/dbraw/zinc/90/78/61/619907861.db2.gz FLSVSRFBOWNVMT-UHFFFAOYSA-N 0 0 276.380 2.936 20 10 CFCDRN CN(Cc1noc2c1CCCC2)c1ccc2c(c1)OCO2 ZINC000121301272 619966944 /nfs/dbraw/zinc/96/69/44/619966944.db2.gz BUCPOHFNHRSXLF-UHFFFAOYSA-N 0 0 286.331 2.919 20 10 CFCDRN C[C@H]1CC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928709213 619996407 /nfs/dbraw/zinc/99/64/07/619996407.db2.gz YUHDYDPWTYNRKG-VHSXEESVSA-N 0 0 251.301 2.584 20 10 CFCDRN CC1(C)CO[C@H](CCC(=O)NCc2c(O)cccc2F)C1 ZINC000928711897 619997141 /nfs/dbraw/zinc/99/71/41/619997141.db2.gz VJVRLJYNEJLSPV-LLVKDONJSA-N 0 0 295.354 2.743 20 10 CFCDRN CCn1cnc2c1CCN(Cc1ccc(N(C)C)cc1C)C2 ZINC000897333130 619998167 /nfs/dbraw/zinc/99/81/67/619998167.db2.gz BEEFKRBRAVTLPE-UHFFFAOYSA-N 0 0 298.434 2.836 20 10 CFCDRN Cc1cc(O)c(CN(C)CC(=O)OC(C)(C)C)cc1C ZINC000152124008 620003357 /nfs/dbraw/zinc/00/33/57/620003357.db2.gz KIUYRGRRHHHRMJ-UHFFFAOYSA-N 0 0 279.380 2.783 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897527408 620213018 /nfs/dbraw/zinc/21/30/18/620213018.db2.gz LHIYMISUDOJFOE-UHFFFAOYSA-N 0 0 299.773 2.970 20 10 CFCDRN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752580 620225640 /nfs/dbraw/zinc/22/56/40/620225640.db2.gz PRJZVRCTRAOKHR-ZJUUUORDSA-N 0 0 284.787 2.563 20 10 CFCDRN CC[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897639305 620266225 /nfs/dbraw/zinc/26/62/25/620266225.db2.gz CXMAIBXIQXSINK-VXNVDRBHSA-N 0 0 277.345 2.841 20 10 CFCDRN CC[N@H+](CCC(=O)NC)Cc1ccc2ccccc2c1O ZINC000897709380 620273642 /nfs/dbraw/zinc/27/36/42/620273642.db2.gz OOIJGSWARTZRSH-UHFFFAOYSA-N 0 0 286.375 2.503 20 10 CFCDRN O=C(NCCCCF)c1cc2cc(O)c(O)cc2s1 ZINC000897809240 620288535 /nfs/dbraw/zinc/28/85/35/620288535.db2.gz VCBDCIKLWXZKIM-UHFFFAOYSA-N 0 0 283.324 2.792 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000897954530 620310752 /nfs/dbraw/zinc/31/07/52/620310752.db2.gz GQZYSOPRHWPALH-YUSALJHKSA-N 0 0 292.335 2.587 20 10 CFCDRN Cc1ccc(CNc2ccnn2[C@@H]2CCCOC2)c(O)c1 ZINC000898089543 620331313 /nfs/dbraw/zinc/33/13/13/620331313.db2.gz UNUSFUKDCDQUAH-CQSZACIVSA-N 0 0 287.363 2.861 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160195 620340481 /nfs/dbraw/zinc/34/04/81/620340481.db2.gz VBJKCAKTYPXZDP-UHFFFAOYSA-N 0 0 279.286 2.938 20 10 CFCDRN Cn1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(Cl)n1 ZINC000898216263 620346555 /nfs/dbraw/zinc/34/65/55/620346555.db2.gz WQCGQHJBHSVYMI-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000898215839 620346649 /nfs/dbraw/zinc/34/66/49/620346649.db2.gz RTWYVXWBSCCKGH-UHFFFAOYSA-N 0 0 291.782 2.942 20 10 CFCDRN CCc1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])cn1 ZINC000898218245 620346931 /nfs/dbraw/zinc/34/69/31/620346931.db2.gz BPNUTXFPPVPVAD-UHFFFAOYSA-N 0 0 277.755 2.688 20 10 CFCDRN CC(C)OC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000898219535 620347121 /nfs/dbraw/zinc/34/71/21/620347121.db2.gz YWRUCTWCPTZHDK-SNVBAGLBSA-N 0 0 257.761 2.949 20 10 CFCDRN CCN(CC)c1ccc(CN2CC[C@H](O)[C@H](F)C2)cc1F ZINC000898192452 620351135 /nfs/dbraw/zinc/35/11/35/620351135.db2.gz JNBIUSMLRSSOFU-ZBFHGGJFSA-N 0 0 298.377 2.577 20 10 CFCDRN CSCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000898304317 620368534 /nfs/dbraw/zinc/36/85/34/620368534.db2.gz BUGLVCXKPKDDOF-UHFFFAOYSA-N 0 0 261.337 2.902 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898378936 620376404 /nfs/dbraw/zinc/37/64/04/620376404.db2.gz CBHYUUSKHJJOBQ-GWCFXTLKSA-N 0 0 285.746 2.699 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898381584 620378323 /nfs/dbraw/zinc/37/83/23/620378323.db2.gz JCTJYRJWPJQEPF-CMPLNLGQSA-N 0 0 285.746 2.699 20 10 CFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1c([O-])cccc1F ZINC000927051360 620446152 /nfs/dbraw/zinc/44/61/52/620446152.db2.gz HSVXNMMIXYHGRW-TXFQPVFDSA-N 0 0 295.354 2.864 20 10 CFCDRN CCN1C(=O)/C(=C/c2cccc3c2OCC3)SC1=S ZINC000899332836 620546372 /nfs/dbraw/zinc/54/63/72/620546372.db2.gz JRRBFLACFFBOEY-FLIBITNWSA-N 0 0 291.397 2.843 20 10 CFCDRN CC(C)(C)NC(=O)NCc1cccc(Cl)c1O ZINC000899462474 620571726 /nfs/dbraw/zinc/57/17/26/620571726.db2.gz HTZAUYOSQNDREY-UHFFFAOYSA-N 0 0 256.733 2.643 20 10 CFCDRN C[C@@H](NC(=O)c1ccc2c(n1)CCCN2)c1ccccc1O ZINC000899862028 620606738 /nfs/dbraw/zinc/60/67/38/620606738.db2.gz QTTNERQFWMXIKO-LLVKDONJSA-N 0 0 297.358 2.636 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCF ZINC000900029239 620626220 /nfs/dbraw/zinc/62/62/20/620626220.db2.gz TZCPYSBUVNTPBW-UHFFFAOYSA-N 0 0 278.371 2.995 20 10 CFCDRN Clc1cnc(SC[C@@H]2C[C@H]3COC[C@H]3O2)s1 ZINC000901583556 620869323 /nfs/dbraw/zinc/86/93/23/620869323.db2.gz UEMBINFUAOFVLY-BIIVOSGPSA-N 0 0 277.798 2.693 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCn1cccn1 ZINC000042538929 620974950 /nfs/dbraw/zinc/97/49/50/620974950.db2.gz KRCLINGSFNWWBC-UHFFFAOYSA-N 0 0 286.162 2.685 20 10 CFCDRN Cn1ccnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000071140805 625464711 /nfs/dbraw/zinc/46/47/11/625464711.db2.gz XTQYNPTZPUBELS-UHFFFAOYSA-N 0 0 286.162 2.722 20 10 CFCDRN COC[C@@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000902562522 621122428 /nfs/dbraw/zinc/12/24/28/621122428.db2.gz HTNUDAFIKDLBSG-OAHLLOKOSA-N 0 0 293.407 2.671 20 10 CFCDRN Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C\c1cn(C)cn1 ZINC000902691014 621152327 /nfs/dbraw/zinc/15/23/27/621152327.db2.gz CJYGWLMKCZOMIR-WAYWQWQTSA-N 0 0 299.349 2.860 20 10 CFCDRN CCCn1cc([C@@H](C)NCc2ccc(N(C)C)cc2)nn1 ZINC000902727726 621159419 /nfs/dbraw/zinc/15/94/19/621159419.db2.gz BEQBKRZSSMJEHW-CYBMUJFWSA-N 0 0 287.411 2.605 20 10 CFCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1cn(C)nn1 ZINC000902780209 621172075 /nfs/dbraw/zinc/17/20/75/621172075.db2.gz DCUYWQXKABEMHO-CQSZACIVSA-N 0 0 299.422 2.656 20 10 CFCDRN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000903130158 621263280 /nfs/dbraw/zinc/26/32/80/621263280.db2.gz HIXYCZVHSSVZPL-MXWKQRLJSA-N 0 0 281.327 2.524 20 10 CFCDRN C[C@H]([NH2+]C1CC(CCO)C1)c1ccc(Cl)cc1[O-] ZINC000903331598 621341206 /nfs/dbraw/zinc/34/12/06/621341206.db2.gz DQEDVDCEXKPOAP-BMQDGWLCSA-N 0 0 269.772 2.857 20 10 CFCDRN CC(C)O[C@]1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCOC1 ZINC000903356436 621346803 /nfs/dbraw/zinc/34/68/03/621346803.db2.gz DIXDMWDJHJHAMM-WBMJQRKESA-N 0 0 297.370 2.766 20 10 CFCDRN CC(C)O[C@@]1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCOC1 ZINC000903356433 621347193 /nfs/dbraw/zinc/34/71/93/621347193.db2.gz DIXDMWDJHJHAMM-BLLLJJGKSA-N 0 0 297.370 2.766 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccc(F)cc1[O-] ZINC000903390156 621360391 /nfs/dbraw/zinc/36/03/91/621360391.db2.gz ZGFFUQWFPXAEQA-KGLIPLIRSA-N 0 0 294.370 2.583 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000903436856 621374372 /nfs/dbraw/zinc/37/43/72/621374372.db2.gz LDKCXYXSTYAHSJ-SOUVJXGZSA-N 0 0 279.355 2.997 20 10 CFCDRN CCOC(=O)c1csc(CN(C)c2ccc(N)cc2)n1 ZINC000903771171 621437722 /nfs/dbraw/zinc/43/77/22/621437722.db2.gz QKQOXIISZJUUGY-UHFFFAOYSA-N 0 0 291.376 2.538 20 10 CFCDRN Nc1ccc(Cc2noc([C@@H]3CCO[C@H]3C3CC3)n2)cc1 ZINC000904078165 621517623 /nfs/dbraw/zinc/51/76/23/621517623.db2.gz SIPGYDIPAYVYFO-HIFRSBDPSA-N 0 0 285.347 2.525 20 10 CFCDRN CCOc1ccccc1NC[C@@H](O)CC1(CO)CCCC1 ZINC000905294646 621733883 /nfs/dbraw/zinc/73/38/83/621733883.db2.gz IGRNPOWGBNDDCP-AWEZNQCLSA-N 0 0 293.407 2.801 20 10 CFCDRN Oc1cc2c(cc1CN1CCn3cccc3C1)CCC2 ZINC000905745503 621844675 /nfs/dbraw/zinc/84/46/75/621844675.db2.gz OTGFPNGWSAXIKV-UHFFFAOYSA-N 0 0 268.360 2.698 20 10 CFCDRN Cc1c(F)ccc2c1N(C(=O)/C=C\c1cn(C)cn1)CCC2 ZINC000905918169 621900326 /nfs/dbraw/zinc/90/03/26/621900326.db2.gz WPLMUUZMDJYHQS-VURMDHGXSA-N 0 0 299.349 2.860 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCOC(C)C)c1 ZINC000183652155 625525918 /nfs/dbraw/zinc/52/59/18/625525918.db2.gz RAQOSVUMYQUNLA-GFCCVEGCSA-N 0 0 295.379 2.783 20 10 CFCDRN CCc1csc([C@@H](C)NC(=O)C2=CC(=O)CS2)n1 ZINC000910739940 622472547 /nfs/dbraw/zinc/47/25/47/622472547.db2.gz DNVARAKKDJGRAB-SSDOTTSWSA-N 0 0 282.390 2.964 20 10 CFCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910951923 622489418 /nfs/dbraw/zinc/48/94/18/622489418.db2.gz YMMDWVSXAANNBT-MNOVXSKESA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccsc1 ZINC000910957018 622490010 /nfs/dbraw/zinc/49/00/10/622490010.db2.gz NLSOXVXHXXLYFS-QWHCGFSZSA-N 0 0 289.356 2.579 20 10 CFCDRN O=C(CC1CCCCC1)NCc1ccc(O)cc1O ZINC000910958928 622490020 /nfs/dbraw/zinc/49/00/20/622490020.db2.gz YFUWOCLXUOYGHB-UHFFFAOYSA-N 0 0 263.337 2.684 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c(C2CC2)n1 ZINC000910943698 622491243 /nfs/dbraw/zinc/49/12/43/622491243.db2.gz FOVQLBUTLRYJTG-UHFFFAOYSA-N 0 0 298.342 2.609 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000910942575 622491251 /nfs/dbraw/zinc/49/12/51/622491251.db2.gz FICIDIZBVYENHB-ZIAGYGMSSA-N 0 0 275.348 2.540 20 10 CFCDRN CC1=C(C)C[C@@H](C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944141 622491258 /nfs/dbraw/zinc/49/12/58/622491258.db2.gz LKWOJDVPONYDNX-LBPRGKRZSA-N 0 0 275.348 2.851 20 10 CFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944153 622491387 /nfs/dbraw/zinc/49/13/87/622491387.db2.gz LRZGZRQSCQTSOK-GWCFXTLKSA-N 0 0 263.337 2.540 20 10 CFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000910944873 622491659 /nfs/dbraw/zinc/49/16/59/622491659.db2.gz YBTADNCCLRPZCP-FOLVSLTJSA-N 0 0 289.375 2.930 20 10 CFCDRN Cc1ccc(C(=O)NCc2ccc(O)cc2O)c2c1CCC2 ZINC000910945449 622491746 /nfs/dbraw/zinc/49/17/46/622491746.db2.gz WOLNYOUCAGSSST-UHFFFAOYSA-N 0 0 297.354 2.825 20 10 CFCDRN CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(O)cc1O ZINC000910944999 622491774 /nfs/dbraw/zinc/49/17/74/622491774.db2.gz RQMKMWVCDGAXQR-QMMMGPOBSA-N 0 0 291.269 2.693 20 10 CFCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000910947464 622492335 /nfs/dbraw/zinc/49/23/35/622492335.db2.gz FKXMQSONTUYMTM-MNOVXSKESA-N 0 0 263.337 2.540 20 10 CFCDRN Nc1ccc(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000911661881 622532133 /nfs/dbraw/zinc/53/21/33/622532133.db2.gz ZDHBQZMFJAKZMB-WDEREUQCSA-N 0 0 288.269 2.707 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CC[C@H]1O ZINC000819684284 622544167 /nfs/dbraw/zinc/54/41/67/622544167.db2.gz YVPBBIQQSIGDGI-NVXWUHKLSA-N 0 0 298.386 2.656 20 10 CFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCCN1 ZINC000819761119 622550357 /nfs/dbraw/zinc/55/03/57/622550357.db2.gz NBISTHMNUHOHGO-UHFFFAOYSA-N 0 0 289.404 2.896 20 10 CFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1CC1 ZINC000819760191 622550855 /nfs/dbraw/zinc/55/08/55/622550855.db2.gz AQUPAISDLXQULB-UHFFFAOYSA-N 0 0 268.353 2.684 20 10 CFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ncc[nH]1 ZINC000819978980 622590798 /nfs/dbraw/zinc/59/07/98/622590798.db2.gz LWLBSRFVHBHRSW-UHFFFAOYSA-N 0 0 298.390 2.672 20 10 CFCDRN CCC[C@@H](CC)C(=O)NCc1cccc(OC)c1O ZINC000821064612 622837809 /nfs/dbraw/zinc/83/78/09/622837809.db2.gz FBGRGXVTPZRABG-LLVKDONJSA-N 0 0 265.353 2.843 20 10 CFCDRN COc1cccc(CNC(=O)CC(C)=C(C)C)c1O ZINC000821065810 622838789 /nfs/dbraw/zinc/83/87/89/622838789.db2.gz RPJNZZDDCQLUHP-UHFFFAOYSA-N 0 0 263.337 2.763 20 10 CFCDRN CC1(C)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000151379651 622903303 /nfs/dbraw/zinc/90/33/03/622903303.db2.gz YQRNYNPLUCXHJC-CQSZACIVSA-N 0 0 273.376 2.933 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2ccccc2[nH]1 ZINC000156649571 622952825 /nfs/dbraw/zinc/95/28/25/622952825.db2.gz JULZUIWDPAOWNT-UHFFFAOYSA-N 0 0 296.326 2.552 20 10 CFCDRN CC(C)[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000821728961 622966759 /nfs/dbraw/zinc/96/67/59/622966759.db2.gz OJVBJBIHHZETBV-LBPRGKRZSA-N 0 0 274.324 2.720 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCC[C@H]1C=CCC1 ZINC000834326815 625611317 /nfs/dbraw/zinc/61/13/17/625611317.db2.gz JFGLNUVWHSZJPP-KJJQSCHISA-N 0 0 287.359 2.974 20 10 CFCDRN CCc1nocc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821841795 622990543 /nfs/dbraw/zinc/99/05/43/622990543.db2.gz FVZOHQFBJWMEOP-UHFFFAOYSA-N 0 0 299.374 2.767 20 10 CFCDRN Fc1cc(/C=C/c2ccncn2)ccc1N1CCOCC1 ZINC000157333405 623028781 /nfs/dbraw/zinc/02/87/81/623028781.db2.gz HDMHRSHOASZKIG-HNQUOIGGSA-N 0 0 285.322 2.623 20 10 CFCDRN CCC(CC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000046072286 623041265 /nfs/dbraw/zinc/04/12/65/623041265.db2.gz PXZLVDYYJULAGW-UHFFFAOYSA-N 0 0 263.385 2.740 20 10 CFCDRN CN(C)c1ccc(CNC(=O)Nc2ccncc2)cc1F ZINC000058515045 623051696 /nfs/dbraw/zinc/05/16/96/623051696.db2.gz MPPWVDUYNPMWQH-UHFFFAOYSA-N 0 0 288.326 2.608 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(F)F ZINC000822422575 623100423 /nfs/dbraw/zinc/10/04/23/623100423.db2.gz DAOGJWXJWIDCRL-ZDUSSCGKSA-N 0 0 284.306 2.579 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC23CCCC3)cc1 ZINC000822428893 623101453 /nfs/dbraw/zinc/10/14/53/623101453.db2.gz BOOUVJFNWSDJST-LBPRGKRZSA-N 0 0 286.335 2.912 20 10 CFCDRN CSC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000189912498 623130700 /nfs/dbraw/zinc/13/07/00/623130700.db2.gz HXBRPJDPCIYIKK-UHFFFAOYSA-N 0 0 278.421 2.607 20 10 CFCDRN COc1cccc(NCc2ccccc2O)c1[N+](=O)[O-] ZINC000228428248 623142972 /nfs/dbraw/zinc/14/29/72/623142972.db2.gz ICLRVFBHHYZJSY-UHFFFAOYSA-N 0 0 274.276 2.921 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000228553217 623148960 /nfs/dbraw/zinc/14/89/60/623148960.db2.gz PBEPIBMFNKIQLO-VHSXEESVSA-N 0 0 255.358 2.935 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC12CC2 ZINC000822717848 623159421 /nfs/dbraw/zinc/15/94/21/623159421.db2.gz QUAKFFAWRUJBBX-HNNXBMFYSA-N 0 0 285.391 2.639 20 10 CFCDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822868005 623192182 /nfs/dbraw/zinc/19/21/82/623192182.db2.gz QXCBDFNENRJWDM-UKRRQHHQSA-N 0 0 272.392 2.731 20 10 CFCDRN CC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000171409173 623221895 /nfs/dbraw/zinc/22/18/95/623221895.db2.gz XGKPKYIUWYCVTP-NXEZZACHSA-N 0 0 266.341 2.560 20 10 CFCDRN CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000230660005 623291795 /nfs/dbraw/zinc/29/17/95/623291795.db2.gz KIYIKBDIUCBTPC-PWSUYJOCSA-N 0 0 255.333 2.589 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1ccncc1F ZINC000823375540 623303310 /nfs/dbraw/zinc/30/33/10/623303310.db2.gz YOGYBNDAKMBKAX-UHFFFAOYSA-N 0 0 258.296 2.792 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccco1 ZINC000173188080 623336600 /nfs/dbraw/zinc/33/66/00/623336600.db2.gz WNNSABXHDLQVNI-SOFGYWHQSA-N 0 0 298.342 2.784 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(C)cc(F)c2)c1 ZINC000173579194 623358666 /nfs/dbraw/zinc/35/86/66/623358666.db2.gz VIBBRICIHSPAGF-UHFFFAOYSA-N 0 0 289.306 2.778 20 10 CFCDRN C[C@H](NCc1ccccc1O)c1nc(C(C)(C)C)no1 ZINC000174662468 623462978 /nfs/dbraw/zinc/46/29/78/623462978.db2.gz FSTXLBOGWLWFQX-JTQLQIEISA-N 0 0 275.352 2.924 20 10 CFCDRN CCn1ccnc1CNc1ccccc1OCCOC ZINC000758413797 623509240 /nfs/dbraw/zinc/50/92/40/623509240.db2.gz JKMDWCLEMRCECZ-UHFFFAOYSA-N 0 0 275.352 2.540 20 10 CFCDRN O=C(NCc1c(O)cccc1F)NCC1(CC2CC2)CC1 ZINC000923998394 623533255 /nfs/dbraw/zinc/53/32/55/623533255.db2.gz SYXLGZGWBDUKNO-UHFFFAOYSA-N 0 0 292.354 2.911 20 10 CFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)CO ZINC000824630265 623535273 /nfs/dbraw/zinc/53/52/73/623535273.db2.gz MSZKIOCGCXAMLC-UHFFFAOYSA-N 0 0 275.751 2.635 20 10 CFCDRN C[C@H](CCCCO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824653639 623540198 /nfs/dbraw/zinc/54/01/98/623540198.db2.gz DKETXRMHEYIDRU-SECBINFHSA-N 0 0 275.751 2.825 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000824860652 623578994 /nfs/dbraw/zinc/57/89/94/623578994.db2.gz XFCYGSKPHLTOBR-WISYIIOYSA-N 0 0 290.363 2.560 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1CCc2n[nH]cc2[C@H]1C)c1ccccc1O ZINC000913764057 623580945 /nfs/dbraw/zinc/58/09/45/623580945.db2.gz ZMLORCKDXGDLQK-QJPTWQEYSA-N 0 0 299.374 2.659 20 10 CFCDRN CCCc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000825085015 623625620 /nfs/dbraw/zinc/62/56/20/623625620.db2.gz INHLTFOWTNEOLL-UHFFFAOYSA-N 0 0 291.307 2.531 20 10 CFCDRN CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000825098171 623628154 /nfs/dbraw/zinc/62/81/54/623628154.db2.gz BUNRLVYOBPDKQM-GFCCVEGCSA-N 0 0 273.735 2.699 20 10 CFCDRN CC1(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CC2)CC1 ZINC000825124239 623634927 /nfs/dbraw/zinc/63/49/27/623634927.db2.gz KRHWYTBZWWTSFX-UHFFFAOYSA-N 0 0 262.309 2.723 20 10 CFCDRN CN(Cc1csc(C(C)(C)O)n1)Cc1ccccc1O ZINC000825153988 623640238 /nfs/dbraw/zinc/64/02/38/623640238.db2.gz WLUIITPSAMUSQH-UHFFFAOYSA-N 0 0 292.404 2.708 20 10 CFCDRN Oc1cc(Br)ccc1CN1CC=CCC1 ZINC000825445665 623695843 /nfs/dbraw/zinc/69/58/43/623695843.db2.gz BTDPOQKWPARWAE-UHFFFAOYSA-N 0 0 268.154 2.917 20 10 CFCDRN Cc1cc(O)c(C[N@H+](C)CCc2cnccn2)cc1Cl ZINC000825456280 623697676 /nfs/dbraw/zinc/69/76/76/623697676.db2.gz TVWOZKQQUGHTJW-UHFFFAOYSA-N 0 0 291.782 2.819 20 10 CFCDRN Cc1cc(O)c(CN2CCO[C@H](C3CC3)C2)cc1Cl ZINC000825548501 623713648 /nfs/dbraw/zinc/71/36/48/623713648.db2.gz HIHBLVNKCWGDHB-HNNXBMFYSA-N 0 0 281.783 2.965 20 10 CFCDRN C[C@@H](C1CC1)n1nccc1NC(=O)C1=CC(=O)CS1 ZINC000825575918 623719032 /nfs/dbraw/zinc/71/90/32/623719032.db2.gz UGYMXXZHKNFEBG-QMMMGPOBSA-N 0 0 277.349 2.874 20 10 CFCDRN Cc1cc(O)c(CN2CC(F)(F)C[C@H]2CO)cc1Cl ZINC000825622308 623725418 /nfs/dbraw/zinc/72/54/18/623725418.db2.gz SVXFPYWTSCHMGT-JTQLQIEISA-N 0 0 291.725 2.556 20 10 CFCDRN Cc1ccc(C(=O)NCC2(C)CC(F)(F)C2)c(O)c1O ZINC000914356548 623774837 /nfs/dbraw/zinc/77/48/37/623774837.db2.gz KBJBHPFRCOTBNW-UHFFFAOYSA-N 0 0 285.290 2.571 20 10 CFCDRN COc1ccc(N(C)Cc2cccc(N)c2)cc1OC ZINC000032119959 623911549 /nfs/dbraw/zinc/91/15/49/623911549.db2.gz ZKBFLIJTQICBME-UHFFFAOYSA-N 0 0 272.348 2.922 20 10 CFCDRN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000827005632 623923052 /nfs/dbraw/zinc/92/30/52/623923052.db2.gz GWJFXIBVRJIQGK-XYPYZODXSA-N 0 0 255.745 2.703 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000827166090 623957848 /nfs/dbraw/zinc/95/78/48/623957848.db2.gz FLIVNPVRHQBFJT-CJNGLKHVSA-N 0 0 291.391 2.768 20 10 CFCDRN COc1ccc(O)c(CNC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000827316408 623986098 /nfs/dbraw/zinc/98/60/98/623986098.db2.gz AFGCYUQQHZLNDY-INIZCTEOSA-N 0 0 275.348 2.763 20 10 CFCDRN CC(C)(C(=O)NCc1ccc(O)c(O)c1)C1CCC1 ZINC000827317254 623986442 /nfs/dbraw/zinc/98/64/42/623986442.db2.gz QOQRZPFIXNBSFY-UHFFFAOYSA-N 0 0 263.337 2.540 20 10 CFCDRN Cc1cc(C(=O)Nc2ccncc2)c(C)n1-c1ccccn1 ZINC000915190126 623994839 /nfs/dbraw/zinc/99/48/39/623994839.db2.gz QMSZVGCMPIJZLT-UHFFFAOYSA-N 0 0 292.342 2.558 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000827602311 624043767 /nfs/dbraw/zinc/04/37/67/624043767.db2.gz NGSHPYPVWJDVMS-ONGXEEELSA-N 0 0 285.746 2.653 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)C2CCCC2)cc1 ZINC000193584085 624056742 /nfs/dbraw/zinc/05/67/42/624056742.db2.gz SNSVLODBFHCYKF-UHFFFAOYSA-N 0 0 275.396 2.837 20 10 CFCDRN OCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000237982422 624062237 /nfs/dbraw/zinc/06/22/37/624062237.db2.gz GLFGQSKOZHATLX-UHFFFAOYSA-N 0 0 298.386 2.628 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@]1(C)CO ZINC000827699125 624068822 /nfs/dbraw/zinc/06/88/22/624068822.db2.gz FKTMIXODYSZWJK-LKFCYVNXSA-N 0 0 287.762 2.635 20 10 CFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@]1(C)CO ZINC000827699126 624069057 /nfs/dbraw/zinc/06/90/57/624069057.db2.gz FKTMIXODYSZWJK-OTYXRUKQSA-N 0 0 287.762 2.635 20 10 CFCDRN COc1c([O-])c(C[NH2+]C2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000827779535 624091607 /nfs/dbraw/zinc/09/16/07/624091607.db2.gz GYMKKWRKXQZIHB-UHFFFAOYSA-N 0 0 280.324 2.587 20 10 CFCDRN C[C@H](O)[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000827855579 624112061 /nfs/dbraw/zinc/11/20/61/624112061.db2.gz FRQPXCGXBQUXPP-NHYWBVRUSA-N 0 0 275.323 2.743 20 10 CFCDRN COCc1ccc(C(=O)N[C@H](C)c2ccccc2O)o1 ZINC000827923036 624128693 /nfs/dbraw/zinc/12/86/93/624128693.db2.gz IGALCNITZQOBDG-SNVBAGLBSA-N 0 0 275.304 2.623 20 10 CFCDRN CC(C)SCC(=O)N[C@H](C)c1ccccc1O ZINC000827923735 624128882 /nfs/dbraw/zinc/12/88/82/624128882.db2.gz YJMMQXWOMLJDQX-SNVBAGLBSA-N 0 0 253.367 2.711 20 10 CFCDRN CC(C)n1ccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC000827937057 624131770 /nfs/dbraw/zinc/13/17/70/624131770.db2.gz JIFRFDMCBBPOSD-LLVKDONJSA-N 0 0 273.336 2.661 20 10 CFCDRN C[C@@H](NC(=O)C(C)(Cl)Cl)c1ccccc1O ZINC000827940386 624132513 /nfs/dbraw/zinc/13/25/13/624132513.db2.gz CTPQRJNKRAEMMM-SSDOTTSWSA-N 0 0 262.136 2.763 20 10 CFCDRN CCc1nnc(C)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827941643 624133317 /nfs/dbraw/zinc/13/33/17/624133317.db2.gz UQDWZPSHTDOLJD-LLVKDONJSA-N 0 0 285.347 2.544 20 10 CFCDRN C[C@@H](NC(=O)CSCC(F)(F)F)c1ccccc1O ZINC000827941325 624133430 /nfs/dbraw/zinc/13/34/30/624133430.db2.gz QKZUBOIHUVWYIK-MRVPVSSYSA-N 0 0 293.310 2.865 20 10 CFCDRN C[C@@H](NC(=O)c1cn(C)nc1C(F)F)c1ccccc1O ZINC000827941919 624133544 /nfs/dbraw/zinc/13/35/44/624133544.db2.gz ZZRRCOHXNDEDOQ-MRVPVSSYSA-N 0 0 295.289 2.554 20 10 CFCDRN CCCc1nc(C(=O)N[C@H](C)c2ccccc2O)co1 ZINC000827941895 624133831 /nfs/dbraw/zinc/13/38/31/624133831.db2.gz ZLGBIFHICWIAQN-SNVBAGLBSA-N 0 0 274.320 2.824 20 10 CFCDRN C[C@@H](NC(=O)c1snnc1C1CC1)c1ccccc1O ZINC000827946229 624134947 /nfs/dbraw/zinc/13/49/47/624134947.db2.gz AXLSVEVROOEKHZ-MRVPVSSYSA-N 0 0 289.360 2.612 20 10 CFCDRN C[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)c1ccccc1O ZINC000827946695 624135029 /nfs/dbraw/zinc/13/50/29/624135029.db2.gz OWSNIQHQVPOBSC-ZWNOBZJWSA-N 0 0 263.337 2.527 20 10 CFCDRN Cc1ccoc1CC(=O)N[C@H](C)c1ccccc1O ZINC000827951962 624135720 /nfs/dbraw/zinc/13/57/20/624135720.db2.gz AQTVBFZMBLBTPF-LLVKDONJSA-N 0 0 259.305 2.714 20 10 CFCDRN C[C@@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1C)c1ccccc1O ZINC000827946995 624135758 /nfs/dbraw/zinc/13/57/58/624135758.db2.gz XPKZBBHGWUXXII-IJLUTSLNSA-N 0 0 275.348 2.575 20 10 CFCDRN CC[C@H](C)[C@H](OC)C(=O)N[C@H](C)c1ccccc1O ZINC000827946987 624136165 /nfs/dbraw/zinc/13/61/65/624136165.db2.gz XGTFWUKFLUAKGW-WDMOLILDSA-N 0 0 265.353 2.631 20 10 CFCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCOC2)c1ccccc1O ZINC000827952651 624136654 /nfs/dbraw/zinc/13/66/54/624136654.db2.gz ZWPAENSUVJXUID-GFCCVEGCSA-N 0 0 297.354 2.956 20 10 CFCDRN C[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)c1ccccc1O ZINC000827952429 624137152 /nfs/dbraw/zinc/13/71/52/624137152.db2.gz RTRNPKMVFHEWGY-VXGBXAGGSA-N 0 0 299.374 2.662 20 10 CFCDRN C[C@@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1ccccc1O ZINC000827956461 624137885 /nfs/dbraw/zinc/13/78/85/624137885.db2.gz 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COc1c([O-])c(C[NH2+][C@H](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000775069674 627990675 /nfs/dbraw/zinc/99/06/75/627990675.db2.gz FQKSGEWKPVXFNN-SNVBAGLBSA-N 0 0 294.351 2.977 20 10 CFCDRN COc1c([O-])c(C[NH2+]CC2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775097770 627993644 /nfs/dbraw/zinc/99/36/44/627993644.db2.gz MUIMBNGMFDSPFV-UHFFFAOYSA-N 0 0 294.351 2.835 20 10 CFCDRN COc1c([O-])c(C[NH2+][C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775097766 627993689 /nfs/dbraw/zinc/99/36/89/627993689.db2.gz MRAAIIIYNUVFAL-KOLCDFICSA-N 0 0 280.324 2.587 20 10 CFCDRN CCc1nnc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)o1 ZINC000775370040 628016740 /nfs/dbraw/zinc/01/67/40/628016740.db2.gz KGBABUBTQDEECD-ZJUUUORDSA-N 0 0 291.351 2.758 20 10 CFCDRN C[C@H](NC(=O)C1=CCCCO1)c1ccc(N(C)C)cc1 ZINC000775407347 628021638 /nfs/dbraw/zinc/02/16/38/628021638.db2.gz SQYKYIJTZDATSX-LBPRGKRZSA-N 0 0 274.364 2.624 20 10 CFCDRN C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775406571 628021866 /nfs/dbraw/zinc/02/18/66/628021866.db2.gz 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/nfs/dbraw/zinc/05/42/63/628054263.db2.gz YKHDPFQWGIJRRR-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN C[C@@H](NCc1noc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000775837075 628073873 /nfs/dbraw/zinc/07/38/73/628073873.db2.gz REWAYRASLZLSIF-LLVKDONJSA-N 0 0 286.379 2.864 20 10 CFCDRN C[C@H](NCc1noc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000775837332 628074182 /nfs/dbraw/zinc/07/41/82/628074182.db2.gz REWAYRASLZLSIF-NSHDSACASA-N 0 0 286.379 2.864 20 10 CFCDRN CCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000775835534 628074187 /nfs/dbraw/zinc/07/41/87/628074187.db2.gz UGXXDJPWHWHIEY-LLVKDONJSA-N 0 0 274.368 2.549 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(Cl)c1[O-] ZINC000775981438 628089999 /nfs/dbraw/zinc/08/99/99/628089999.db2.gz QPJJPPVHCZZSIW-WDEREUQCSA-N 0 0 268.788 2.570 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000776012681 628093943 /nfs/dbraw/zinc/09/39/43/628093943.db2.gz IQNYYHCJMBZZPM-VXGBXAGGSA-N 0 0 273.735 2.578 20 10 CFCDRN CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776048192 628097676 /nfs/dbraw/zinc/09/76/76/628097676.db2.gz KHJDQFAMHXCQSN-NSHDSACASA-N 0 0 275.751 2.681 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(F)cn1 ZINC000776251369 628122089 /nfs/dbraw/zinc/12/20/89/628122089.db2.gz CZEWTHFENHUCPQ-UHFFFAOYSA-N 0 0 266.703 2.870 20 10 CFCDRN O=C(OCc1ccc(F)cc1)c1cccc(O)c1O ZINC000776279212 628125779 /nfs/dbraw/zinc/12/57/79/628125779.db2.gz HZWNIDQBAYJPCJ-UHFFFAOYSA-N 0 0 262.236 2.594 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC(=O)OCC(C)C ZINC000776579694 628160685 /nfs/dbraw/zinc/16/06/85/628160685.db2.gz OBJNLDRLHCEHOF-UHFFFAOYSA-N 0 0 277.364 2.647 20 10 CFCDRN Cc1cc(Cl)cc(CN2CCO[C@@H](C3CC3)C2)c1O ZINC000777222865 628209491 /nfs/dbraw/zinc/20/94/91/628209491.db2.gz SWPQBHGUCDNXMV-CQSZACIVSA-N 0 0 281.783 2.965 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccncn2)cc1 ZINC000777446453 628226348 /nfs/dbraw/zinc/22/63/48/628226348.db2.gz LZQWKWCKLKFCFI-UHFFFAOYSA-N 0 0 298.390 2.595 20 10 CFCDRN COc1cc(O)c(CNc2cnn(C(C)C)c2)cc1OC ZINC000777465441 628228793 /nfs/dbraw/zinc/22/87/93/628228793.db2.gz MLTBSOPRWZDATM-UHFFFAOYSA-N 0 0 291.351 2.799 20 10 CFCDRN CCOc1ccc(CNc2nnc(C(C)C)o2)c(O)c1 ZINC000777514235 628231864 /nfs/dbraw/zinc/23/18/64/628231864.db2.gz WGOFQDWGCCSKPE-UHFFFAOYSA-N 0 0 277.324 2.909 20 10 CFCDRN Cc1noc(C)c1N(C)C(=O)/C=C/c1ccc(C)nc1 ZINC000777865245 628259751 /nfs/dbraw/zinc/25/97/51/628259751.db2.gz UUBYBFFOCCPFKF-BQYQJAHWSA-N 0 0 271.320 2.671 20 10 CFCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778918250 628339678 /nfs/dbraw/zinc/33/96/78/628339678.db2.gz HZLPNASBPYFSPJ-YPMHNXCESA-N 0 0 277.364 2.930 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1sccc1C1CC1 ZINC000778914890 628339735 /nfs/dbraw/zinc/33/97/35/628339735.db2.gz NVKSPCPCUAOLPU-UHFFFAOYSA-N 0 0 289.356 2.967 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)F)cc1 ZINC000778925607 628340141 /nfs/dbraw/zinc/34/01/41/628340141.db2.gz LQPBARXPVAYWHB-UHFFFAOYSA-N 0 0 293.269 2.965 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCN2C ZINC000778986624 628343416 /nfs/dbraw/zinc/34/34/16/628343416.db2.gz IPIGAWXNQNQRNL-UHFFFAOYSA-N 0 0 296.370 2.657 20 10 CFCDRN CCOC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000779073646 628350090 /nfs/dbraw/zinc/35/00/90/628350090.db2.gz PFBQUINTVFWFIS-DTWKUNHWSA-N 0 0 259.296 2.746 20 10 CFCDRN CN1CCCc2cc(CNC(=O)N3CC=CCC3)ccc21 ZINC000779342954 628375647 /nfs/dbraw/zinc/37/56/47/628375647.db2.gz QCFIVMWAOCYMQY-UHFFFAOYSA-N 0 0 285.391 2.541 20 10 CFCDRN CCc1cnccc1CNC(=O)N(C)Cc1ccccc1O ZINC000779409145 628379354 /nfs/dbraw/zinc/37/93/54/628379354.db2.gz GQZBLPXAHPOUFO-UHFFFAOYSA-N 0 0 299.374 2.691 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000779482868 628384584 /nfs/dbraw/zinc/38/45/84/628384584.db2.gz HMEAAJFRVIAHGJ-VIGJRRFGSA-N 0 0 295.338 2.783 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC(F)(F)CC1 ZINC000779540270 628386887 /nfs/dbraw/zinc/38/68/87/628386887.db2.gz PYMNCVOXFQJUTC-DUXPYHPUSA-N 0 0 297.301 2.805 20 10 CFCDRN Cc1ccc(O)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779541406 628387718 /nfs/dbraw/zinc/38/77/18/628387718.db2.gz GOEOLSRBZUNJBL-DAXSKMNVSA-N 0 0 285.299 2.764 20 10 CFCDRN Cc1cc(NC(=O)NCc2ccccc2O)cc2n[nH]cc21 ZINC000779622676 628390596 /nfs/dbraw/zinc/39/05/96/628390596.db2.gz PBJYOGRSEOUSTL-UHFFFAOYSA-N 0 0 296.330 2.899 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C\c1cncc(O)c1 ZINC000779679058 628392987 /nfs/dbraw/zinc/39/29/87/628392987.db2.gz NXYHKUPBIABTBX-HYXAFXHYSA-N 0 0 280.327 2.698 20 10 CFCDRN Cc1ccc2c(c1)CCN2C(=O)/C=C/c1cncc(O)c1 ZINC000779679057 628393064 /nfs/dbraw/zinc/39/30/64/628393064.db2.gz NXYHKUPBIABTBX-HWKANZROSA-N 0 0 280.327 2.698 20 10 CFCDRN CN(C)c1ccc(CN(C(=O)C2=CCC2)C2CC2)cc1 ZINC000779807050 628408254 /nfs/dbraw/zinc/40/82/54/628408254.db2.gz PCPHJZUMNXGVRH-UHFFFAOYSA-N 0 0 270.376 2.964 20 10 CFCDRN CN(Cc1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2 ZINC000780778970 628496246 /nfs/dbraw/zinc/49/62/46/628496246.db2.gz ZICBTSAZRUUKAO-UHFFFAOYSA-N 0 0 283.327 2.987 20 10 CFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000780892252 628503060 /nfs/dbraw/zinc/50/30/60/628503060.db2.gz DUDVLFRBNFNUGV-AWEZNQCLSA-N 0 0 296.386 2.569 20 10 CFCDRN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c(O)c1O ZINC000780906548 628503775 /nfs/dbraw/zinc/50/37/75/628503775.db2.gz DKSHQXBZBNQAEM-CQSZACIVSA-N 0 0 298.342 2.779 20 10 CFCDRN Cc1ccc(C(=O)NC2[C@H](C)CCC[C@H]2C)c(O)c1O ZINC000780944106 628506836 /nfs/dbraw/zinc/50/68/36/628506836.db2.gz KXDLJDAIPTZPOV-NXEZZACHSA-N 0 0 277.364 2.961 20 10 CFCDRN O=C1/C(=C/c2cncnc2)SC(=S)N1c1ccccc1 ZINC000781107021 628522093 /nfs/dbraw/zinc/52/20/93/628522093.db2.gz OMDJTNBPQGOLBH-SDQBBNPISA-N 0 0 299.380 2.882 20 10 CFCDRN CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000782633422 628650941 /nfs/dbraw/zinc/65/09/41/628650941.db2.gz HIVGSEKMKJUTNY-NHCYSSNCSA-N 0 0 295.354 2.732 20 10 CFCDRN O=C(CC1=CCCCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783528544 628717647 /nfs/dbraw/zinc/71/76/47/628717647.db2.gz KHEOZXIMMOTEHD-UHFFFAOYSA-N 0 0 290.315 2.714 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCS2)c1 ZINC000783590765 628724781 /nfs/dbraw/zinc/72/47/81/628724781.db2.gz ZJSVWQUPWVZXDS-HZMBPMFUSA-N 0 0 295.404 2.864 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc[nH]1 ZINC000783636474 628729349 /nfs/dbraw/zinc/72/93/49/628729349.db2.gz LMRJCMYXMNWFIC-CLFYSBASSA-N 0 0 283.375 2.719 20 10 CFCDRN COc1cc(N(C)CC[C@@H]2CCOC2)cc(OC)c1OC ZINC000783663778 628732367 /nfs/dbraw/zinc/73/23/67/628732367.db2.gz DTEXDGVDRRTIEL-GFCCVEGCSA-N 0 0 295.379 2.575 20 10 CFCDRN C/C(=C\C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)(C)C ZINC000783925870 628756046 /nfs/dbraw/zinc/75/60/46/628756046.db2.gz AWKRDTAMRZXEJO-JXMROGBWSA-N 0 0 292.331 2.816 20 10 CFCDRN COC(C)(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000784892270 628849683 /nfs/dbraw/zinc/84/96/83/628849683.db2.gz CBUDLIAQBPUIFA-GFCCVEGCSA-N 0 0 278.396 2.745 20 10 CFCDRN CC(=O)Nc1cccc(C(=O)NCc2ccccc2O)c1C ZINC000785410046 628880387 /nfs/dbraw/zinc/88/03/87/628880387.db2.gz RPLBAKVYRGAIMI-UHFFFAOYSA-N 0 0 298.342 2.589 20 10 CFCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000786574433 628968734 /nfs/dbraw/zinc/96/87/34/628968734.db2.gz BTHKVRCTFFNZKS-XHNCKOQMSA-N 0 0 259.296 2.744 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(F)F)cc1 ZINC000786764764 628978731 /nfs/dbraw/zinc/97/87/31/628978731.db2.gz GZDYHYLFVLLRFA-UHFFFAOYSA-N 0 0 270.323 2.756 20 10 CFCDRN COc1ccc([N+](=O)[O-])c(N(C)Cc2ccccc2O)c1 ZINC000786793081 628979587 /nfs/dbraw/zinc/97/95/87/628979587.db2.gz LZTHROOVGDPCMO-UHFFFAOYSA-N 0 0 288.303 2.945 20 10 CFCDRN COc1ccc(N(C)Cc2ccc(F)cn2)cc1OC ZINC000787187088 628997861 /nfs/dbraw/zinc/99/78/61/628997861.db2.gz NEMISDHPSXKIGZ-UHFFFAOYSA-N 0 0 276.311 2.874 20 10 CFCDRN CCOc1ccc(N(C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000787252395 629002041 /nfs/dbraw/zinc/00/20/41/629002041.db2.gz WKGZSVUGYQTKGN-NSHDSACASA-N 0 0 277.286 2.835 20 10 CFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN1c1ccccc1 ZINC000787446999 629013462 /nfs/dbraw/zinc/01/34/62/629013462.db2.gz VXEYGFIJAYSHRQ-INIZCTEOSA-N 0 0 296.370 2.677 20 10 CFCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F ZINC000787695337 629026746 /nfs/dbraw/zinc/02/67/46/629026746.db2.gz QVOJAVRZHUIXCD-MALLOTDXSA-N 0 0 289.253 2.568 20 10 CFCDRN Cc1ccc(C(=O)N[C@@H](C(C)C)C(F)(F)F)c(O)c1O ZINC000787704278 629027787 /nfs/dbraw/zinc/02/77/87/629027787.db2.gz WMNQMYBAXKSRRC-NSHDSACASA-N 0 0 291.269 2.723 20 10 CFCDRN OCc1ccc(NCc2cccc(Cl)c2O)nc1 ZINC000788830673 629103466 /nfs/dbraw/zinc/10/34/66/629103466.db2.gz FICUMERPHZVSAD-UHFFFAOYSA-N 0 0 264.712 2.545 20 10 CFCDRN C[C@H](NC(=S)NC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000789297353 629144877 /nfs/dbraw/zinc/14/48/77/629144877.db2.gz QMAUCPBCIVOSGC-NSHDSACASA-N 0 0 277.437 2.830 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cn[nH]n1 ZINC000789925830 629197196 /nfs/dbraw/zinc/19/71/96/629197196.db2.gz KKDJNISSDIYURE-UHFFFAOYSA-N 0 0 295.346 2.773 20 10 CFCDRN C[C@@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000789943016 629198949 /nfs/dbraw/zinc/19/89/49/629198949.db2.gz YFLSPICVOMOGLV-PSASIEDQSA-N 0 0 267.300 2.545 20 10 CFCDRN O=C(NCCCCc1ccccc1)c1cccc(O)c1O ZINC000790485669 629242841 /nfs/dbraw/zinc/24/28/41/629242841.db2.gz ILDZFMRKDVBUSL-UHFFFAOYSA-N 0 0 285.343 2.851 20 10 CFCDRN c1cnc(COc2ccc(N3CCCC3)cc2)nc1 ZINC000790503317 629243985 /nfs/dbraw/zinc/24/39/85/629243985.db2.gz HYEMULHLXKKMFZ-UHFFFAOYSA-N 0 0 255.321 2.656 20 10 CFCDRN O=C(NCc1c(F)cccc1Cl)c1cccc(O)c1O ZINC000790527851 629245359 /nfs/dbraw/zinc/24/53/59/629245359.db2.gz MBVXIFFPFHADTJ-UHFFFAOYSA-N 0 0 295.697 2.820 20 10 CFCDRN C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cccc(O)c2O)o1 ZINC000790554485 629247335 /nfs/dbraw/zinc/24/73/35/629247335.db2.gz OCGAYKCULJYIRJ-JOYOIKCWSA-N 0 0 287.315 2.744 20 10 CFCDRN C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2c1c(F)ccc2O ZINC000790717844 629258801 /nfs/dbraw/zinc/25/88/01/629258801.db2.gz PTFPWSDRPATPER-SKWCMTHISA-N 0 0 293.260 2.592 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000790960688 629274141 /nfs/dbraw/zinc/27/41/41/629274141.db2.gz ZDDAYMGOGWAHRJ-VIFPVBQESA-N 0 0 284.762 2.511 20 10 CFCDRN CO[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000790970350 629275306 /nfs/dbraw/zinc/27/53/06/629275306.db2.gz GJGBFFLNIFJGJN-LBPRGKRZSA-N 0 0 275.751 2.945 20 10 CFCDRN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790986677 629277870 /nfs/dbraw/zinc/27/78/70/629277870.db2.gz SXSRSNDYWRVRDS-AMIZOPFISA-N 0 0 273.735 2.842 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCOC1 ZINC000790986237 629277910 /nfs/dbraw/zinc/27/79/10/629277910.db2.gz KJVCKGBWFNBNNJ-VIFPVBQESA-N 0 0 273.735 2.701 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000790989066 629278185 /nfs/dbraw/zinc/27/81/85/629278185.db2.gz WVMKOMAJJHGQFO-SKDRFNHKSA-N 0 0 287.762 2.825 20 10 CFCDRN COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(F)F ZINC000835025202 629320803 /nfs/dbraw/zinc/32/08/03/629320803.db2.gz CCKVJPHVZJYVEH-SNAWJCMRSA-N 0 0 298.377 2.979 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C)Cc2cnccn2)cc1 ZINC000835027705 629323009 /nfs/dbraw/zinc/32/30/09/629323009.db2.gz NNYBDBRQXDUEIV-PLNGDYQASA-N 0 0 282.391 2.688 20 10 CFCDRN Cc1cc(CNC/C=C/c2ccc(N(C)C)cc2)no1 ZINC000835037122 629331899 /nfs/dbraw/zinc/33/18/99/629331899.db2.gz OWIFIMRXUVERJM-SNAWJCMRSA-N 0 0 271.364 2.852 20 10 CFCDRN CCc1nnc([C@@H](C)NCC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835043195 629337506 /nfs/dbraw/zinc/33/75/06/629337506.db2.gz QSRAEMOFBKGGDT-KTRBRXNASA-N 0 0 299.422 2.797 20 10 CFCDRN CN(C)c1ccc(/C=C\CN(C)Cc2nccn2C)cc1 ZINC000835043967 629339728 /nfs/dbraw/zinc/33/97/28/629339728.db2.gz DTRZCYQDEUPXAL-WAYWQWQTSA-N 0 0 284.407 2.631 20 10 CFCDRN CN(C)c1ccc(/C=C/CNCc2noc(C3CC3)n2)cc1 ZINC000835055022 629357682 /nfs/dbraw/zinc/35/76/82/629357682.db2.gz UVYYJKUQPARCFN-ONEGZZNKSA-N 0 0 298.390 2.816 20 10 CFCDRN CCC(C)(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000835085076 629382995 /nfs/dbraw/zinc/38/29/95/629382995.db2.gz LCKJLEMCRZOGPX-UHFFFAOYSA-N 0 0 282.340 2.595 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792059733 629394412 /nfs/dbraw/zinc/39/44/12/629394412.db2.gz ULPCIZOEYOKZBM-QWRGUYRKSA-N 0 0 279.359 2.584 20 10 CFCDRN C[C@H]1C[C@H](C)N1C(=O)NCCCSc1nccs1 ZINC000792129721 629400644 /nfs/dbraw/zinc/40/06/44/629400644.db2.gz YEAUNZITHUYQFS-UWVGGRQHSA-N 0 0 285.438 2.818 20 10 CFCDRN CC[C@@]1(CO)CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792180324 629406408 /nfs/dbraw/zinc/40/64/08/629406408.db2.gz QILYWPBQHUJCII-AWEZNQCLSA-N 0 0 287.762 2.922 20 10 CFCDRN C[C@H](NC(=O)N1CC(C)(F)C1)c1ccc(N(C)C)cc1 ZINC000792178624 629406765 /nfs/dbraw/zinc/40/67/65/629406765.db2.gz KNDGHEOQXLNHGX-NSHDSACASA-N 0 0 279.359 2.567 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1ncccn1 ZINC000792269392 629415233 /nfs/dbraw/zinc/41/52/33/629415233.db2.gz RPQPFBDOFQAWIL-UHFFFAOYSA-N 0 0 269.348 2.828 20 10 CFCDRN CN(C)c1ccc(CN(C)C(=O)CCC(F)F)cc1 ZINC000792877333 629460699 /nfs/dbraw/zinc/46/06/99/629460699.db2.gz FAMCDKMUMGULNF-UHFFFAOYSA-N 0 0 270.323 2.756 20 10 CFCDRN CN(C)c1ccc(CNCc2cc[nH]n2)c(C(F)(F)F)c1 ZINC000792896875 629462804 /nfs/dbraw/zinc/46/28/04/629462804.db2.gz FZUPCSQIQAEBIL-UHFFFAOYSA-N 0 0 298.312 2.784 20 10 CFCDRN COc1ccc(CNC(=O)N[C@H](C)CCC2CC2)c(O)c1 ZINC000793059993 629481646 /nfs/dbraw/zinc/48/16/46/629481646.db2.gz WGWZFIOIIDZMDZ-LLVKDONJSA-N 0 0 292.379 2.779 20 10 CFCDRN C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793249154 629512885 /nfs/dbraw/zinc/51/28/85/629512885.db2.gz DTKWGSIARSRWRA-CQSZACIVSA-N 0 0 287.762 2.922 20 10 CFCDRN CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793281413 629519364 /nfs/dbraw/zinc/51/93/64/629519364.db2.gz QJOOPLXRYVJSIY-ABAIWWIYSA-N 0 0 296.386 2.569 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793324092 629526392 /nfs/dbraw/zinc/52/63/92/629526392.db2.gz WVUPQWPXAPAQAK-LBPRGKRZSA-N 0 0 287.762 2.825 20 10 CFCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccccc1O ZINC000793679131 629585427 /nfs/dbraw/zinc/58/54/27/629585427.db2.gz CGHSJYRLUBDDAH-JSGCOSHPSA-N 0 0 279.380 2.586 20 10 CFCDRN O=C(NCCCc1ccccc1F)c1cccc(O)c1O ZINC000794263744 629628188 /nfs/dbraw/zinc/62/81/88/629628188.db2.gz OPNUHTUVEZNWNV-UHFFFAOYSA-N 0 0 289.306 2.600 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C(C)=O)cc2)c(O)c1 ZINC000794369075 629640786 /nfs/dbraw/zinc/64/07/86/629640786.db2.gz ATSGYCKTAFLDCO-UHFFFAOYSA-N 0 0 299.326 2.533 20 10 CFCDRN COc1ccc(CNC(=O)[C@H](C)CC(C)C)c(O)c1 ZINC000794376069 629641489 /nfs/dbraw/zinc/64/14/89/629641489.db2.gz BFVDXOOCAAXYNQ-LLVKDONJSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1ccc(CNC(=O)CC2CCSCC2)c(O)c1 ZINC000794378990 629642189 /nfs/dbraw/zinc/64/21/89/629642189.db2.gz ICFHDHDMLYRANV-UHFFFAOYSA-N 0 0 295.404 2.550 20 10 CFCDRN COc1ccc(CNC(=O)c2ccc(C)s2)c(O)c1 ZINC000794381687 629642195 /nfs/dbraw/zinc/64/21/95/629642195.db2.gz OIGWSFRZNLAQKN-UHFFFAOYSA-N 0 0 277.345 2.701 20 10 CFCDRN COc1ccc(CNC(=O)c2cccc(C(C)=O)c2)c(O)c1 ZINC000794380478 629642366 /nfs/dbraw/zinc/64/23/66/629642366.db2.gz DRZWSCGNFXDUCG-UHFFFAOYSA-N 0 0 299.326 2.533 20 10 CFCDRN COc1ccc(CNC(=O)c2c(C)oc(C)c2C)c(O)c1 ZINC000794388682 629642628 /nfs/dbraw/zinc/64/26/28/629642628.db2.gz ZORJSKFJAGQPSJ-UHFFFAOYSA-N 0 0 289.331 2.849 20 10 CFCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794390419 629642643 /nfs/dbraw/zinc/64/26/43/629642643.db2.gz JHDNQTFQNJMTHR-WDEREUQCSA-N 0 0 265.353 2.699 20 10 CFCDRN COc1c(O)c(C[N@@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000796020208 629864526 /nfs/dbraw/zinc/86/45/26/629864526.db2.gz KAKSLTANEHDHTH-UHFFFAOYSA-N 0 0 292.335 2.851 20 10 CFCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccccc1O ZINC000852526593 634771951 /nfs/dbraw/zinc/77/19/51/634771951.db2.gz SSLANZDMGTXJHQ-BLLLJJGKSA-N 0 0 296.370 2.920 20 10 CFCDRN CCC(C)(C)NC(=O)CN1CCCc2cc(OC)ccc21 ZINC000796324400 629904033 /nfs/dbraw/zinc/90/40/33/629904033.db2.gz ILXGNLKOEILYTE-UHFFFAOYSA-N 0 0 290.407 2.753 20 10 CFCDRN CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000796703873 629953095 /nfs/dbraw/zinc/95/30/95/629953095.db2.gz KJBHTCZXUDZYCY-MFKMUULPSA-N 0 0 253.317 2.609 20 10 CFCDRN CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000796772973 629964119 /nfs/dbraw/zinc/96/41/19/629964119.db2.gz VQVSSTOPHMEGMM-HIFRSBDPSA-N 0 0 297.370 2.768 20 10 CFCDRN CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(F)cc1[O-] ZINC000796816724 629971809 /nfs/dbraw/zinc/97/18/09/629971809.db2.gz MOAKAOCKWBREEM-MMWSSPAHSA-N 0 0 294.370 2.616 20 10 CFCDRN CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccc(F)cc1[O-] ZINC000796836721 629975837 /nfs/dbraw/zinc/97/58/37/629975837.db2.gz PYVWKUQRWAAYOQ-KRDDEPHXSA-N 0 0 287.400 2.729 20 10 CFCDRN CC[C@@H]([NH2+]CCc1cnccn1)c1ccc(F)cc1[O-] ZINC000796854047 629979814 /nfs/dbraw/zinc/97/98/14/629979814.db2.gz JRRMFPCVAGDJFJ-CQSZACIVSA-N 0 0 275.327 2.605 20 10 CFCDRN CC[C@H]([NH2+]CCc1ccnn1C)c1ccc(F)cc1[O-] ZINC000796940857 629992212 /nfs/dbraw/zinc/99/22/12/629992212.db2.gz XNLQDAYGVZBIRB-AWEZNQCLSA-N 0 0 277.343 2.548 20 10 CFCDRN CC(=O)Oc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000121435977 630010357 /nfs/dbraw/zinc/01/03/57/630010357.db2.gz JUQUFOBDYZKHKX-UHFFFAOYSA-N 0 0 299.326 2.977 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797077833 630013472 /nfs/dbraw/zinc/01/34/72/630013472.db2.gz HBUJPOTWJWWOPO-VWYCJHECSA-N 0 0 285.334 2.994 20 10 CFCDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000797077832 630013798 /nfs/dbraw/zinc/01/37/98/630013798.db2.gz HBUJPOTWJWWOPO-OUAUKWLOSA-N 0 0 285.334 2.994 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc(Cl)c1[O-] ZINC000840826504 630094829 /nfs/dbraw/zinc/09/48/29/630094829.db2.gz ZFLMCSLPCRFOEY-GWCFXTLKSA-N 0 0 296.798 2.613 20 10 CFCDRN CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc(Cl)c1[O-] ZINC000840826506 630095022 /nfs/dbraw/zinc/09/50/22/630095022.db2.gz ZFLMCSLPCRFOEY-GXFFZTMASA-N 0 0 296.798 2.613 20 10 CFCDRN COc1ccc2c(c1)CCCN2CC(=O)N[C@@H](C)C(C)C ZINC000797720094 630098013 /nfs/dbraw/zinc/09/80/13/630098013.db2.gz VFBMTUVFVRCKIZ-ZDUSSCGKSA-N 0 0 290.407 2.609 20 10 CFCDRN C[S@](=O)CCSc1ncc(C(C)(C)C)s1 ZINC000798234508 630169530 /nfs/dbraw/zinc/16/95/30/630169530.db2.gz QBIFRXRKQHWZNA-HNNXBMFYSA-N 0 0 263.453 2.911 20 10 CFCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C)c(O)c1 ZINC000798511250 630197765 /nfs/dbraw/zinc/19/77/65/630197765.db2.gz JIHXRUNIHDNUIT-RYUDHWBXSA-N 0 0 292.379 2.636 20 10 CFCDRN Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C)c(O)c1O ZINC000799063415 630272364 /nfs/dbraw/zinc/27/23/64/630272364.db2.gz WEFABIRETWJTLO-ONGXEEELSA-N 0 0 263.337 2.572 20 10 CFCDRN Cc1nn(C)cc1/C=C1/c2cc(Cl)ccc2N(C)C1=O ZINC000799501892 630316410 /nfs/dbraw/zinc/31/64/10/630316410.db2.gz RPKBZJYDVPZRQQ-MLPAPPSSSA-N 0 0 287.750 2.899 20 10 CFCDRN COc1cccc(CNc2ccc3[nH]c(=O)n(C)c3c2)c1O ZINC000799740080 630341833 /nfs/dbraw/zinc/34/18/33/630341833.db2.gz IQLDLSNKNBKBGR-UHFFFAOYSA-N 0 0 299.330 2.605 20 10 CFCDRN C[C@H](NS(=O)(=O)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000799803282 630345259 /nfs/dbraw/zinc/34/52/59/630345259.db2.gz GMYITYRSRNVINQ-LBPRGKRZSA-N 0 0 298.452 2.779 20 10 CFCDRN CCCC[C@H](Sc1ncc([N+](=O)[O-])s1)C(=O)OC ZINC000799959868 630356269 /nfs/dbraw/zinc/35/62/69/630356269.db2.gz AXRVGXFDKPBXIB-ZETCQYMHSA-N 0 0 290.366 2.875 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000799989951 630359753 /nfs/dbraw/zinc/35/97/53/630359753.db2.gz WRYPIOJUDFFMTA-RSUWNVLCSA-N 0 0 290.407 2.743 20 10 CFCDRN Cc1cc([C@H](C)NCc2ccc3c(c2)CCO3)no1 ZINC000800311928 630370405 /nfs/dbraw/zinc/37/04/05/630370405.db2.gz UVBYVJVVTKUJAJ-NSHDSACASA-N 0 0 258.321 2.769 20 10 CFCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(F)ccc1O ZINC000800498891 630392573 /nfs/dbraw/zinc/39/25/73/630392573.db2.gz AYUJIOZPFFJICM-SNVBAGLBSA-N 0 0 292.358 2.729 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccn1C ZINC000839913685 630399821 /nfs/dbraw/zinc/39/98/21/630399821.db2.gz NXCXLPKDTSCBNV-AWEZNQCLSA-N 0 0 299.418 2.761 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C ZINC000839916297 630400160 /nfs/dbraw/zinc/40/01/60/630400160.db2.gz RHWVNOVMKDYEQG-HEHGZKQESA-N 0 0 274.408 2.764 20 10 CFCDRN CCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916638 630400370 /nfs/dbraw/zinc/40/03/70/630400370.db2.gz WDFIIHZUGLMRRI-KBPBESRZSA-N 0 0 292.423 2.533 20 10 CFCDRN COCCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839915636 630400454 /nfs/dbraw/zinc/40/04/54/630400454.db2.gz IYNMDWLTQPJQMQ-AWEZNQCLSA-N 0 0 292.423 2.535 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COC ZINC000800802489 630405763 /nfs/dbraw/zinc/40/57/63/630405763.db2.gz NYQDKFYCLHXMAY-ZDUSSCGKSA-N 0 0 294.395 2.739 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CO[C@@H](C)C1 ZINC000801546577 630456981 /nfs/dbraw/zinc/45/69/81/630456981.db2.gz VOFFMRPRGDRDLV-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C ZINC000801551036 630457168 /nfs/dbraw/zinc/45/71/68/630457168.db2.gz HLAGPJZBCGVFNI-DZGCQCFKSA-N 0 0 291.391 2.946 20 10 CFCDRN CCOC(=O)[C@@H](CC(C)C)OC(=O)C1=CC(=O)CS1 ZINC000801837410 630475741 /nfs/dbraw/zinc/47/57/41/630475741.db2.gz FDYNCGQYXFPKSS-SNVBAGLBSA-N 0 0 286.349 2.588 20 10 CFCDRN C[C@@H]1CC(CCNC(=O)C2=CC(=O)CS2)C[C@@H](C)O1 ZINC000802672064 630537524 /nfs/dbraw/zinc/53/75/24/630537524.db2.gz BVXRFPOVRIFKEM-NXEZZACHSA-N 0 0 283.393 2.777 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802778637 630546278 /nfs/dbraw/zinc/54/62/78/630546278.db2.gz GLWBUCNSBDVSMU-LSDHHAIUSA-N 0 0 297.354 2.560 20 10 CFCDRN CNc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000803120406 630585638 /nfs/dbraw/zinc/58/56/38/630585638.db2.gz HKRRMSXPXOLHBK-GFCCVEGCSA-N 0 0 298.390 2.680 20 10 CFCDRN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c(O)c1 ZINC000803292004 630599814 /nfs/dbraw/zinc/59/98/14/630599814.db2.gz HEKURRNMWISCLE-JKSUJKDBSA-N 0 0 297.354 2.821 20 10 CFCDRN Cc1ccc(C(=O)OCCSC(C)C)c(O)c1O ZINC000803328539 630602709 /nfs/dbraw/zinc/60/27/09/630602709.db2.gz QPSJEOFNOZWFIJ-UHFFFAOYSA-N 0 0 270.350 2.705 20 10 CFCDRN CC1(C)CC[C@@H](COC(=O)C2=CC(=O)CS2)O1 ZINC000803346727 630604303 /nfs/dbraw/zinc/60/43/03/630604303.db2.gz XRIXWHNODDSKRH-VIFPVBQESA-N 0 0 256.323 2.568 20 10 CFCDRN CC1(C)CC[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)O1 ZINC000803401342 630612980 /nfs/dbraw/zinc/61/29/80/630612980.db2.gz XVFLHIHRTKVXPJ-TXNVCOODSA-N 0 0 292.331 2.612 20 10 CFCDRN CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1cccc(Cl)c1[O-] ZINC000806133651 630771316 /nfs/dbraw/zinc/77/13/16/630771316.db2.gz PKENZQJLHLVWHT-CYBMUJFWSA-N 0 0 298.814 2.955 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806137017 630771660 /nfs/dbraw/zinc/77/16/60/630771660.db2.gz GBIZJAACTKOWQW-MFKMUULPSA-N 0 0 268.788 2.790 20 10 CFCDRN CC[C@H]([NH2+]CC[S@@](=O)CC)c1cccc(Cl)c1[O-] ZINC000806138706 630772591 /nfs/dbraw/zinc/77/25/91/630772591.db2.gz AHPJVNPFMVSMEP-SGTLLEGYSA-N 0 0 289.828 2.855 20 10 CFCDRN CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1cccc(Cl)c1[O-] ZINC000806161123 630777122 /nfs/dbraw/zinc/77/71/22/630777122.db2.gz XFJONYABQBBBQE-DZGCQCFKSA-N 0 0 299.798 2.892 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N2CC(C(C)(C)C)C2)cc1 ZINC000836251082 630780688 /nfs/dbraw/zinc/78/06/88/630780688.db2.gz CDBLABQQDLZTTN-UHFFFAOYSA-N 0 0 289.423 2.940 20 10 CFCDRN CCn1nncc1CSc1ncc(-c2ccccc2)n1C ZINC000840059228 630787194 /nfs/dbraw/zinc/78/71/94/630787194.db2.gz IEAVCEZFKXTUGC-UHFFFAOYSA-N 0 0 299.403 2.991 20 10 CFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]2C[C@@H]21 ZINC000806433204 630800499 /nfs/dbraw/zinc/80/04/99/630800499.db2.gz RKSJLIHNEWUGBQ-WBVHZDCISA-N 0 0 299.418 2.981 20 10 CFCDRN C[C@H](NC(=O)NCC(C)(F)F)c1ccc(N(C)C)cc1 ZINC000836405680 630811471 /nfs/dbraw/zinc/81/14/71/630811471.db2.gz KRVCGLPEQOBNAL-JTQLQIEISA-N 0 0 285.338 2.768 20 10 CFCDRN Cc1cc(=O)[nH]c(C=Cc2ccc3c(c2)CCN3C)n1 ZINC000806574767 630815092 /nfs/dbraw/zinc/81/50/92/630815092.db2.gz VWPAIHDNUSPVAM-XQRVVYSFSA-N 0 0 267.332 2.653 20 10 CFCDRN Cc1cc(=O)[nH]c(C=Cc2ccc(N(C)C)c(F)c2)n1 ZINC000806574223 630815177 /nfs/dbraw/zinc/81/51/77/630815177.db2.gz ICZSLAALMTWXDS-FNORWQNLSA-N 0 0 273.311 2.866 20 10 CFCDRN C[C@@H](NC(=O)c1cccnc1F)c1ccc(N(C)C)cc1 ZINC000807273812 630872948 /nfs/dbraw/zinc/87/29/48/630872948.db2.gz AHLCJJLZRHWCFB-LLVKDONJSA-N 0 0 287.338 2.778 20 10 CFCDRN CC1(C)CC=C(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000836778260 630880745 /nfs/dbraw/zinc/88/07/45/630880745.db2.gz VLWCQLCJRDSBIK-UHFFFAOYSA-N 0 0 275.348 2.851 20 10 CFCDRN CC(=O)C(=O)CSCc1cccc(OC(F)F)c1 ZINC000808024949 630943334 /nfs/dbraw/zinc/94/33/34/630943334.db2.gz WROXQHYRJSQPOM-UHFFFAOYSA-N 0 0 274.288 2.679 20 10 CFCDRN CCc1cccc(N(C)C(=O)/C=C/c2cnn(C)c2)c1 ZINC000837275950 630991218 /nfs/dbraw/zinc/99/12/18/630991218.db2.gz KPVMHZARHAZTQW-CMDGGOBGSA-N 0 0 269.348 2.659 20 10 CFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000837318129 630996560 /nfs/dbraw/zinc/99/65/60/630996560.db2.gz WJBZLDFXNDOCEK-GFCCVEGCSA-N 0 0 260.381 2.805 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000808516242 631005673 /nfs/dbraw/zinc/00/56/73/631005673.db2.gz FVFQMZDWVSXDES-HZPDHXFCSA-N 0 0 296.322 2.645 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000808516241 631005832 /nfs/dbraw/zinc/00/58/32/631005832.db2.gz FVFQMZDWVSXDES-HOTGVXAUSA-N 0 0 296.322 2.645 20 10 CFCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000808516243 631006127 /nfs/dbraw/zinc/00/61/27/631006127.db2.gz FVFQMZDWVSXDES-JKSUJKDBSA-N 0 0 296.322 2.645 20 10 CFCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000808535593 631010221 /nfs/dbraw/zinc/01/02/21/631010221.db2.gz RPADFXSOKFFABJ-UHFFFAOYSA-N 0 0 292.312 2.631 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCCCO2)c1 ZINC000837483460 631044005 /nfs/dbraw/zinc/04/40/05/631044005.db2.gz AMCFZLPDWMOMLF-ZBEGNZNMSA-N 0 0 293.363 2.537 20 10 CFCDRN C[C@H]1c2ccccc2C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000855569332 635586281 /nfs/dbraw/zinc/58/62/81/635586281.db2.gz JVCZKMYZCNJQGR-TVQRCGJNSA-N 0 0 273.357 2.912 20 10 CFCDRN CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cccc(F)c1O ZINC000840828676 631233259 /nfs/dbraw/zinc/23/32/59/631233259.db2.gz OXAROYLBUKSTPT-ZDUSSCGKSA-N 0 0 294.370 2.786 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc(Cl)c1[O-] ZINC000840889177 631253043 /nfs/dbraw/zinc/25/30/43/631253043.db2.gz FIXNESQLKMHQHW-MFKMUULPSA-N 0 0 298.814 2.999 20 10 CFCDRN Cc1cc(O)c(CNc2cnn(C)c2)c(Cl)c1 ZINC000840890218 631253166 /nfs/dbraw/zinc/25/31/66/631253166.db2.gz ZHHKWPMVYIYOCW-UHFFFAOYSA-N 0 0 251.717 2.700 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN1CCC[C@H]1c1nncn1C ZINC000840917654 631263856 /nfs/dbraw/zinc/26/38/56/631263856.db2.gz VWSHVTUOJORCOD-INIZCTEOSA-N 0 0 299.422 2.527 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)NC1CCCCC1 ZINC000042863772 650001905 /nfs/dbraw/zinc/00/19/05/650001905.db2.gz OWLXTQJDCBGUNO-UHFFFAOYSA-N 0 0 262.353 2.866 20 10 CFCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccccc1O ZINC000809696745 631266946 /nfs/dbraw/zinc/26/69/46/631266946.db2.gz QBNSIMQKRNYHQV-BXKDBHETSA-N 0 0 275.270 2.544 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)OC(C)(C)C ZINC000840936580 631268679 /nfs/dbraw/zinc/26/86/79/631268679.db2.gz LTJCYCJIZAXJDZ-CYBMUJFWSA-N 0 0 292.423 2.881 20 10 CFCDRN CCc1nnc([C@H](C)NCc2ccc(N(C)C)cc2C)[nH]1 ZINC000840936542 631268907 /nfs/dbraw/zinc/26/89/07/631268907.db2.gz KNAUEBDSVHJHNN-LBPRGKRZSA-N 0 0 287.411 2.592 20 10 CFCDRN CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809724189 631270278 /nfs/dbraw/zinc/27/02/78/631270278.db2.gz XONWOSVAFCPSQA-SNVBAGLBSA-N 0 0 275.751 2.539 20 10 CFCDRN Cc1noc([C@H]2CCCCN2Cc2ccccc2O)n1 ZINC000809718409 631270661 /nfs/dbraw/zinc/27/06/61/631270661.db2.gz JOECVEIOZUQYKP-CYBMUJFWSA-N 0 0 273.336 2.811 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000840942917 631273303 /nfs/dbraw/zinc/27/33/03/631273303.db2.gz AHFMMTTVOFINMI-UHFFFAOYSA-N 0 0 298.434 2.884 20 10 CFCDRN CC(C)CCNC(=O)N(C)Cc1ccccc1O ZINC000042905686 650002619 /nfs/dbraw/zinc/00/26/19/650002619.db2.gz HOCMBBZZLDZXHG-UHFFFAOYSA-N 0 0 250.342 2.580 20 10 CFCDRN Cc1cc(O)c(C[NH+]2CC3(C2)CCCOC3)c(Cl)c1 ZINC000840953473 631281597 /nfs/dbraw/zinc/28/15/97/631281597.db2.gz SBHNJCAOKFNBQX-UHFFFAOYSA-N 0 0 281.783 2.966 20 10 CFCDRN CN(CC[N@H+](C)C1CC1)Cc1c([O-])ccc(Cl)c1F ZINC000809755457 631283860 /nfs/dbraw/zinc/28/38/60/631283860.db2.gz QWMBIZUIORBSER-UHFFFAOYSA-N 0 0 286.778 2.711 20 10 CFCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1csnn1 ZINC000840969741 631288844 /nfs/dbraw/zinc/28/88/44/631288844.db2.gz JSXYXKVOGVEZKZ-NSHDSACASA-N 0 0 276.409 2.763 20 10 CFCDRN COc1c([O-])c(C[N@@H+]2CC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000840970721 631290186 /nfs/dbraw/zinc/29/01/86/631290186.db2.gz WQVCPMTZLWSSGC-JTQLQIEISA-N 0 0 294.351 2.929 20 10 CFCDRN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1csnn1 ZINC000840970694 631290235 /nfs/dbraw/zinc/29/02/35/631290235.db2.gz VOXQSJNFXFHKKB-ITKZLYELSA-N 0 0 288.420 2.968 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840976042 631291494 /nfs/dbraw/zinc/29/14/94/631291494.db2.gz BCUOSKFPHGKGQK-BXKDBHETSA-N 0 0 287.762 2.825 20 10 CFCDRN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000840975283 631291745 /nfs/dbraw/zinc/29/17/45/631291745.db2.gz FFWMBNWITSHZCQ-LBPRGKRZSA-N 0 0 296.798 2.535 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840980427 631293705 /nfs/dbraw/zinc/29/37/05/631293705.db2.gz ZPLBVJUWRCRIDV-UWVGGRQHSA-N 0 0 287.762 2.825 20 10 CFCDRN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(F)c1 ZINC000840996652 631296856 /nfs/dbraw/zinc/29/68/56/631296856.db2.gz GCELXFZUSZYOLX-LLVKDONJSA-N 0 0 282.359 2.577 20 10 CFCDRN CC1(C)[NH2+]CC[C@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841086647 631335575 /nfs/dbraw/zinc/33/55/75/631335575.db2.gz PBAAXPVOVSUDHS-LLVKDONJSA-N 0 0 289.206 2.929 20 10 CFCDRN CO[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841091297 631338388 /nfs/dbraw/zinc/33/83/88/631338388.db2.gz XJAIFXNHJAEADT-HNNXBMFYSA-N 0 0 296.386 2.569 20 10 CFCDRN CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841119522 631343262 /nfs/dbraw/zinc/34/32/62/631343262.db2.gz NQIFXPIBXWYNLE-UHFFFAOYSA-N 0 0 291.395 2.538 20 10 CFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCSC2)c1 ZINC000810347384 631364806 /nfs/dbraw/zinc/36/48/06/631364806.db2.gz BXDRMENFBHXRCQ-WDEREUQCSA-N 0 0 295.404 2.721 20 10 CFCDRN CC(C)C[C@]1(CO)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841297009 631376975 /nfs/dbraw/zinc/37/69/75/631376975.db2.gz KLGBHJKRNZJUJE-INIZCTEOSA-N 0 0 291.395 2.674 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@]3(CCCOC3)C2)cc1 ZINC000841299927 631378036 /nfs/dbraw/zinc/37/80/36/631378036.db2.gz LWXOAQMRZDTSPK-INIZCTEOSA-N 0 0 289.379 2.693 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H](CO)C2CCCCC2)cc1 ZINC000841299395 631378068 /nfs/dbraw/zinc/37/80/68/631378068.db2.gz KBZNCXIYPHQIJC-ZDUSSCGKSA-N 0 0 291.395 2.579 20 10 CFCDRN C[C@@](CO)(NC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841301072 631378554 /nfs/dbraw/zinc/37/85/54/631378554.db2.gz YZAOCJRHBYJMCN-INIZCTEOSA-N 0 0 291.395 2.722 20 10 CFCDRN Nc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000841301617 631378682 /nfs/dbraw/zinc/37/86/82/631378682.db2.gz AZTJGOJCCGXYMX-UHFFFAOYSA-N 0 0 282.347 2.860 20 10 CFCDRN CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(N)cc1 ZINC000841300769 631378831 /nfs/dbraw/zinc/37/88/31/631378831.db2.gz UJXYJLQXGAKCHA-AWEZNQCLSA-N 0 0 277.368 2.548 20 10 CFCDRN CCCC[C@@H](COC)NC(=O)Nc1ccc(N)cc1 ZINC000841300980 631378983 /nfs/dbraw/zinc/37/89/83/631378983.db2.gz YLEWWDVJENPYRZ-ZDUSSCGKSA-N 0 0 265.357 2.596 20 10 CFCDRN C[C@@]1(CNC(=O)Nc2ccc(N)cc2)CC1(Cl)Cl ZINC000841300309 631379235 /nfs/dbraw/zinc/37/92/35/631379235.db2.gz UHTUDPGKCMGMTR-NSHDSACASA-N 0 0 288.178 2.974 20 10 CFCDRN COC(=O)c1cnc(S[C@@H]2CCC(C)(C)C2=O)s1 ZINC000840210170 631447832 /nfs/dbraw/zinc/44/78/32/631447832.db2.gz QKIRNQYAQAKHTD-SSDOTTSWSA-N 0 0 285.390 2.780 20 10 CFCDRN CCCNC(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743881 631462946 /nfs/dbraw/zinc/46/29/46/631462946.db2.gz CURNHEVUMYNLHR-SNVBAGLBSA-N 0 0 284.787 2.613 20 10 CFCDRN CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748517 631464323 /nfs/dbraw/zinc/46/43/23/631464323.db2.gz AGHSFZLBAHHQAK-GXSJLCMTSA-N 0 0 257.761 2.857 20 10 CFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750884 631465290 /nfs/dbraw/zinc/46/52/90/631465290.db2.gz KBCDYPJSPVYRHA-ZWKOPEQDSA-N 0 0 296.798 2.611 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)cc1[O-] ZINC000841752485 631465331 /nfs/dbraw/zinc/46/53/31/631465331.db2.gz AXUXJEHSOGTPKJ-ONGXEEELSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000841750720 631465351 /nfs/dbraw/zinc/46/53/51/631465351.db2.gz AMEXPLOPMUUQPX-SNVBAGLBSA-N 0 0 279.771 2.672 20 10 CFCDRN CCn1ncnc1CN[C@H](C)c1ccc(Cl)cc1O ZINC000841753511 631466696 /nfs/dbraw/zinc/46/66/96/631466696.db2.gz UXXRHLINFIJJBH-SECBINFHSA-N 0 0 280.759 2.508 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)cc1[O-] ZINC000841757164 631467596 /nfs/dbraw/zinc/46/75/96/631467596.db2.gz FHERBZCQBBJQEU-JOYOIKCWSA-N 0 0 291.782 2.977 20 10 CFCDRN C[C@H]([NH2+]CC1(C)COC1)c1ccc(Cl)cc1[O-] ZINC000841763263 631468996 /nfs/dbraw/zinc/46/89/96/631468996.db2.gz LVXZZHFDVCOGAW-VIFPVBQESA-N 0 0 255.745 2.733 20 10 CFCDRN COc1ccc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])cc1C ZINC000841796113 631472691 /nfs/dbraw/zinc/47/26/91/631472691.db2.gz IYOLAQDPCGGAPN-CYBMUJFWSA-N 0 0 279.380 2.983 20 10 CFCDRN O=C([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000841802029 631473558 /nfs/dbraw/zinc/47/35/58/631473558.db2.gz BISFUNYDESBLFU-UHFFFAOYSA-N 0 0 297.354 2.652 20 10 CFCDRN C[C@H](CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000841815412 631474633 /nfs/dbraw/zinc/47/46/33/631474633.db2.gz IBTHVWGDUVLYPZ-GFCCVEGCSA-N 0 0 278.396 2.732 20 10 CFCDRN O=C([O-])C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841822690 631475499 /nfs/dbraw/zinc/47/54/99/631475499.db2.gz PZAJLDLDFOHUJN-ZFWWWQNUSA-N 0 0 289.375 2.745 20 10 CFCDRN Nc1ccc(CCNC(=O)NC2CCC(F)(F)CC2)cc1 ZINC000841869297 631485142 /nfs/dbraw/zinc/48/51/42/631485142.db2.gz VREKQTPXLNVSHT-UHFFFAOYSA-N 0 0 297.349 2.688 20 10 CFCDRN Nc1ccc(CCNC(=O)NCC2=CCCCC2)cc1 ZINC000841906738 631492694 /nfs/dbraw/zinc/49/26/94/631492694.db2.gz DXUPTUBBQRMGEK-UHFFFAOYSA-N 0 0 273.380 2.611 20 10 CFCDRN C[C@H](C1CC1)N(C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841954400 631495719 /nfs/dbraw/zinc/49/57/19/631495719.db2.gz LOJFEGZEWBMITN-GFCCVEGCSA-N 0 0 287.407 2.784 20 10 CFCDRN Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000841956177 631496365 /nfs/dbraw/zinc/49/63/65/631496365.db2.gz XNKMVMUKZJTCQA-CQSZACIVSA-N 0 0 299.374 2.603 20 10 CFCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCCc1ccc(N)cc1 ZINC000841958981 631496518 /nfs/dbraw/zinc/49/65/18/631496518.db2.gz JOUYDNXOGNKNEK-IUODEOHRSA-N 0 0 275.396 2.784 20 10 CFCDRN Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000841956778 631496560 /nfs/dbraw/zinc/49/65/60/631496560.db2.gz HQWITCAARCQJDU-UHFFFAOYSA-N 0 0 297.402 2.961 20 10 CFCDRN C[C@H](CC(C)(C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841956147 631496761 /nfs/dbraw/zinc/49/67/61/631496761.db2.gz WSIHLXYEEOEBAR-GFCCVEGCSA-N 0 0 277.412 2.935 20 10 CFCDRN CC[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841963176 631496920 /nfs/dbraw/zinc/49/69/20/631496920.db2.gz YDRGFUQKABYITD-OAHLLOKOSA-N 0 0 275.396 2.785 20 10 CFCDRN CN(CCOCC1CCC1)c1ccc2c(c1)OCO2 ZINC000842154187 631555176 /nfs/dbraw/zinc/55/51/76/631555176.db2.gz RLNDFEZFVHUJNA-UHFFFAOYSA-N 0 0 263.337 2.668 20 10 CFCDRN COc1ccc(CNC(=O)C2(F)CCCCC2)c(O)c1 ZINC000811484555 631569395 /nfs/dbraw/zinc/56/93/95/631569395.db2.gz BLIZFNDONLBPJY-UHFFFAOYSA-N 0 0 281.327 2.689 20 10 CFCDRN Cc1cc(Cl)cc(CNc2ccc(CO)cn2)c1O ZINC000811501218 631572948 /nfs/dbraw/zinc/57/29/48/631572948.db2.gz HKQUFGDRFCCYTR-UHFFFAOYSA-N 0 0 278.739 2.853 20 10 CFCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000811517195 631575429 /nfs/dbraw/zinc/57/54/29/631575429.db2.gz KOKQJJWXHHANIS-HTQZYQBOSA-N 0 0 261.724 2.698 20 10 CFCDRN COc1cc(F)c(F)cc1NC(=O)c1cccc(O)c1O ZINC000811606056 631585857 /nfs/dbraw/zinc/58/58/57/631585857.db2.gz WWFKNOLPTAPURB-UHFFFAOYSA-N 0 0 295.241 2.637 20 10 CFCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)CCC(C)(C)C ZINC000811695606 631608228 /nfs/dbraw/zinc/60/82/28/631608228.db2.gz BDHRGJPLFNHSHF-UHFFFAOYSA-N 0 0 299.392 2.773 20 10 CFCDRN Cc1ccc(O)c(CNc2ccc(OC(C)C)nn2)c1 ZINC000811839542 631630113 /nfs/dbraw/zinc/63/01/13/631630113.db2.gz JADMCZZIFNXIRE-UHFFFAOYSA-N 0 0 273.336 2.890 20 10 CFCDRN CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC000812037697 631655344 /nfs/dbraw/zinc/65/53/44/631655344.db2.gz ZZUXACZGSZSUJW-UHFFFAOYSA-N 0 0 272.352 2.517 20 10 CFCDRN CC(C)(C)N1CC[C@@H](Sc2nccs2)C1=O ZINC000842548157 631662618 /nfs/dbraw/zinc/66/26/18/631662618.db2.gz JRAADNKMFOLLNN-MRVPVSSYSA-N 0 0 256.396 2.635 20 10 CFCDRN CC1(C2CC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000812273969 631683807 /nfs/dbraw/zinc/68/38/07/631683807.db2.gz PJTHBXDKJOTROB-UHFFFAOYSA-N 0 0 275.348 2.750 20 10 CFCDRN Cc1cc(CN2CN(C)C(=O)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000842643261 631690265 /nfs/dbraw/zinc/69/02/65/631690265.db2.gz YFGRKNXIBOGZQO-GFCCVEGCSA-N 0 0 290.407 2.618 20 10 CFCDRN Cc1cc(O)c(CNc2ccc(C(N)=O)c(F)c2)cc1C ZINC000812346259 631694555 /nfs/dbraw/zinc/69/45/55/631694555.db2.gz LCMHWDHSRIJJGU-UHFFFAOYSA-N 0 0 288.322 2.859 20 10 CFCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000812357681 631695451 /nfs/dbraw/zinc/69/54/51/631695451.db2.gz RVAXZNVXGXTIGL-WCQYABFASA-N 0 0 293.388 2.627 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCF)c1 ZINC000812735692 631765300 /nfs/dbraw/zinc/76/53/00/631765300.db2.gz FFOLFGFTTHVKRO-JTQLQIEISA-N 0 0 269.316 2.579 20 10 CFCDRN C[C@H]([NH2+]CCCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000812738241 631765682 /nfs/dbraw/zinc/76/56/82/631765682.db2.gz ZOSGPALANAZDOV-VIFPVBQESA-N 0 0 256.277 2.701 20 10 CFCDRN CCCC(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842878461 631772407 /nfs/dbraw/zinc/77/24/07/631772407.db2.gz BVDJYHMHEYCAFP-CYBMUJFWSA-N 0 0 277.364 2.865 20 10 CFCDRN COCC1(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000842890193 631775184 /nfs/dbraw/zinc/77/51/84/631775184.db2.gz CJOXXUGYWPZDII-LLVKDONJSA-N 0 0 267.344 2.999 20 10 CFCDRN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039085 631809494 /nfs/dbraw/zinc/80/94/94/631809494.db2.gz ANISFBVENDLRRW-NOZJJQNGSA-N 0 0 297.782 2.897 20 10 CFCDRN Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000843041137 631810697 /nfs/dbraw/zinc/81/06/97/631810697.db2.gz OVQHOTUKXZVCTM-IINYFYTJSA-N 0 0 277.364 2.552 20 10 CFCDRN Nc1ccc(NC(=O)N2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000843043490 631811226 /nfs/dbraw/zinc/81/12/26/631811226.db2.gz VIJOUWBOVXLNQU-WFASDCNBSA-N 0 0 289.379 2.692 20 10 CFCDRN C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1C[NH3+] ZINC000843051812 631815868 /nfs/dbraw/zinc/81/58/68/631815868.db2.gz MAYJDDLSVYYYEE-SKDRFNHKSA-N 0 0 286.778 2.744 20 10 CFCDRN C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1C[NH3+] ZINC000843051810 631817032 /nfs/dbraw/zinc/81/70/32/631817032.db2.gz MAYJDDLSVYYYEE-CABZTGNLSA-N 0 0 286.778 2.744 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118223 631840405 /nfs/dbraw/zinc/84/04/05/631840405.db2.gz DOYJTGKFBFIQBY-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN [O-]c1ccc(Cl)c(F)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123153 631844037 /nfs/dbraw/zinc/84/40/37/631844037.db2.gz HVSHDLFEPGEBHX-OAHLLOKOSA-N 0 0 298.789 2.760 20 10 CFCDRN Nc1ccc(Cc2noc(/C=C\C3CCOCC3)n2)cc1 ZINC000843159276 631870222 /nfs/dbraw/zinc/87/02/22/631870222.db2.gz OCHHPGSURJWDTI-UTCJRWHESA-N 0 0 285.347 2.682 20 10 CFCDRN Nc1ccc(Cc2noc([C@H]3CCCS3)n2)cc1 ZINC000843160067 631871083 /nfs/dbraw/zinc/87/10/83/631871083.db2.gz VHFXDWAZAUTDHS-LLVKDONJSA-N 0 0 261.350 2.811 20 10 CFCDRN CC[C@@H](C)OCc1nc(Cc2ccc(N)cc2)no1 ZINC000843162492 631872297 /nfs/dbraw/zinc/87/22/97/631872297.db2.gz YTJJTOCITUXWIN-SNVBAGLBSA-N 0 0 261.325 2.558 20 10 CFCDRN CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O ZINC000155966760 650038895 /nfs/dbraw/zinc/03/88/95/650038895.db2.gz AKTPSIXFZSQHST-ZBFHGGJFSA-N 0 0 293.407 2.876 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000843306770 631924067 /nfs/dbraw/zinc/92/40/67/631924067.db2.gz XWXPVTZIUFZGCE-UONOGXRCSA-N 0 0 277.364 2.737 20 10 CFCDRN CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000813512953 631928248 /nfs/dbraw/zinc/92/82/48/631928248.db2.gz CRMSCSOIEIMNLR-RAIGVLPGSA-N 0 0 277.364 2.581 20 10 CFCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N(C)C)cc1C ZINC000813647039 631945937 /nfs/dbraw/zinc/94/59/37/631945937.db2.gz QQFIHLIIUGLUOF-GFCCVEGCSA-N 0 0 293.411 2.838 20 10 CFCDRN CC[C@H](C)C[C@@H](NCc1cc(F)ccc1O)C(=O)OC ZINC000843415340 631948109 /nfs/dbraw/zinc/94/81/09/631948109.db2.gz KFNKUXVIBKFHFO-GXFFZTMASA-N 0 0 283.343 2.599 20 10 CFCDRN Cc1ccc(O)c(CN2CCc3cc(Cl)nnc3C2)c1 ZINC000843418379 631949955 /nfs/dbraw/zinc/94/99/55/631949955.db2.gz LPEBLIGFBULIAY-UHFFFAOYSA-N 0 0 289.766 2.702 20 10 CFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])[C@@H]1SC ZINC000843429312 631956565 /nfs/dbraw/zinc/95/65/65/631956565.db2.gz AOKONQZIQUYZOL-BZPMIXESSA-N 0 0 285.384 2.530 20 10 CFCDRN CC[C@H]([NH2+]Cc1snnc1C)c1ccc(F)cc1[O-] ZINC000813885710 631971904 /nfs/dbraw/zinc/97/19/04/631971904.db2.gz VYEIZCMLXJPMAG-NSHDSACASA-N 0 0 281.356 2.932 20 10 CFCDRN COCC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000813883054 631972172 /nfs/dbraw/zinc/97/21/72/631972172.db2.gz PQHSEQLMABEZQH-SECBINFHSA-N 0 0 273.323 2.994 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2(OC)CC2)cc1 ZINC000843522714 631975150 /nfs/dbraw/zinc/97/51/50/631975150.db2.gz MXYPOGLSMQIIIL-UHFFFAOYSA-N 0 0 290.407 2.670 20 10 CFCDRN Cc1cc(Cl)cc(CN(C)[C@@H]2CC(C)(C)OC2=O)c1O ZINC000814179741 632024195 /nfs/dbraw/zinc/02/41/95/632024195.db2.gz XYBBFVZZZIZNBU-GFCCVEGCSA-N 0 0 297.782 2.880 20 10 CFCDRN CC(C)n1cnnc1CN(C)Cc1cc(Cl)ccc1O ZINC000814179714 632024514 /nfs/dbraw/zinc/02/45/14/632024514.db2.gz XPBIDCUOYUJXEE-UHFFFAOYSA-N 0 0 294.786 2.850 20 10 CFCDRN S=C(NCc1ccc(N2CC=CC2)cc1)NC1CCC1 ZINC000814198060 632033745 /nfs/dbraw/zinc/03/37/45/632033745.db2.gz IZTOXQGUBDWCEL-UHFFFAOYSA-N 0 0 287.432 2.579 20 10 CFCDRN Oc1ccc2c(c1CNC(=S)NC1CCC1)CCCC2 ZINC000814199513 632033979 /nfs/dbraw/zinc/03/39/79/632033979.db2.gz XHWYEZAKQLBTNS-UHFFFAOYSA-N 0 0 290.432 2.788 20 10 CFCDRN Cc1noc(C)c1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000814284470 632049646 /nfs/dbraw/zinc/04/96/46/632049646.db2.gz IFBILPIQZYFJDL-BJMVGYQFSA-N 0 0 280.374 2.655 20 10 CFCDRN CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000814376439 632057167 /nfs/dbraw/zinc/05/71/67/632057167.db2.gz BCZLJYAYEJFNBB-ZBFHGGJFSA-N 0 0 290.407 2.574 20 10 CFCDRN COc1cccc(CNC(=O)/C=C\C2CCCC2)c1O ZINC000843832524 632063710 /nfs/dbraw/zinc/06/37/10/632063710.db2.gz OBEMROXTIHMBIO-KTKRTIGZSA-N 0 0 275.348 2.763 20 10 CFCDRN CN(C)c1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC000105373622 632080417 /nfs/dbraw/zinc/08/04/17/632080417.db2.gz HHHDJXWMJGIBFT-RUDMXATFSA-N 0 0 299.349 2.963 20 10 CFCDRN CC1(C)C[C@@H]1NC(=O)NCCCSc1nccs1 ZINC000840325078 632104501 /nfs/dbraw/zinc/10/45/01/632104501.db2.gz NYKKPQXPWWKNCY-VIFPVBQESA-N 0 0 285.438 2.723 20 10 CFCDRN CC1(C)[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1(F)F ZINC000856068260 635714867 /nfs/dbraw/zinc/71/48/67/635714867.db2.gz LZZPWDVHADPTMT-RNZFLTOJSA-N 0 0 297.301 2.519 20 10 CFCDRN CC1(C)[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1(F)F ZINC000856068261 635715325 /nfs/dbraw/zinc/71/53/25/635715325.db2.gz LZZPWDVHADPTMT-TXNVCOODSA-N 0 0 297.301 2.519 20 10 CFCDRN Cc1ncc([N+](=O)[O-])n1Cc1ccc(N(C)C)c(C)c1 ZINC000814744755 632117187 /nfs/dbraw/zinc/11/71/87/632117187.db2.gz RWTRDSXZFFUJJN-UHFFFAOYSA-N 0 0 274.324 2.522 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](c2ccncc2)C1 ZINC000844143906 632125844 /nfs/dbraw/zinc/12/58/44/632125844.db2.gz YOISHGJKCBYPJI-ZDUSSCGKSA-N 0 0 298.342 2.513 20 10 CFCDRN CC(C)OC1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000844201634 632133371 /nfs/dbraw/zinc/13/33/71/632133371.db2.gz DTRJNAUMCICOEV-UHFFFAOYSA-N 0 0 290.407 2.664 20 10 CFCDRN COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000844352884 632176847 /nfs/dbraw/zinc/17/68/47/632176847.db2.gz BIDXTHSKVDCEPZ-XJKSGUPXSA-N 0 0 290.407 2.826 20 10 CFCDRN COc1ccc(N(C)Cc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000844353200 632177669 /nfs/dbraw/zinc/17/76/69/632177669.db2.gz QTHIYXUFTSUHRC-UHFFFAOYSA-N 0 0 298.346 2.612 20 10 CFCDRN COC(=O)c1csc(CN(C)c2ccc(OC)cc2)n1 ZINC000844354677 632177981 /nfs/dbraw/zinc/17/79/81/632177981.db2.gz GLJVJEWTFCNSTB-UHFFFAOYSA-N 0 0 292.360 2.575 20 10 CFCDRN COc1ccc(N(C)Cc2noc(C3CC3)n2)cc1 ZINC000844353477 632178055 /nfs/dbraw/zinc/17/80/55/632178055.db2.gz PFMUAKRFRUESFV-UHFFFAOYSA-N 0 0 259.309 2.592 20 10 CFCDRN Cc1nnc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)o1 ZINC000815091806 632199474 /nfs/dbraw/zinc/19/94/74/632199474.db2.gz YSKWHCPGRDSLBU-LLVKDONJSA-N 0 0 274.368 2.603 20 10 CFCDRN CCN(C)c1ccc(CN2CCO[C@@H](C(F)F)C2)cc1 ZINC000815111699 632203058 /nfs/dbraw/zinc/20/30/58/632203058.db2.gz FNNZVZPRWXJBPH-CQSZACIVSA-N 0 0 284.350 2.609 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000844447310 632215099 /nfs/dbraw/zinc/21/50/99/632215099.db2.gz YMPOBRHDTUGAAK-SECBINFHSA-N 0 0 252.314 2.825 20 10 CFCDRN CC(C)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000815151668 632218361 /nfs/dbraw/zinc/21/83/61/632218361.db2.gz RMISXAVHHSGIGJ-UHFFFAOYSA-N 0 0 250.298 2.579 20 10 CFCDRN C[C@H](F)CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000815149665 632218770 /nfs/dbraw/zinc/21/87/70/632218770.db2.gz VMQVOIHWEPSLRD-ZETCQYMHSA-N 0 0 276.695 2.792 20 10 CFCDRN CC(C)CNC(=S)NCc1cc(Cl)ccc1O ZINC000844584889 632254743 /nfs/dbraw/zinc/25/47/43/632254743.db2.gz XPKKBQGRIWYPNX-UHFFFAOYSA-N 0 0 272.801 2.666 20 10 CFCDRN C[C@H]([NH2+]Cc1nccn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815574998 632290332 /nfs/dbraw/zinc/29/03/32/632290332.db2.gz HWHRXQQPDXHTDH-VIFPVBQESA-N 0 0 299.296 2.995 20 10 CFCDRN C[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815599423 632295611 /nfs/dbraw/zinc/29/56/11/632295611.db2.gz SQXIWYGTXVVKBQ-SECBINFHSA-N 0 0 299.296 2.995 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)O ZINC000815651996 632305657 /nfs/dbraw/zinc/30/56/57/632305657.db2.gz LJYCMTKXMFOHBJ-PRHODGIISA-N 0 0 273.323 2.871 20 10 CFCDRN Cn1cc(/C=C\C(=O)N2CC(C)(C)c3ccc(F)cc32)cn1 ZINC000844825378 632317600 /nfs/dbraw/zinc/31/76/00/632317600.db2.gz JXQHQJAEUMQOEK-DAXSKMNVSA-N 0 0 299.349 2.897 20 10 CFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CC2)cc1 ZINC000844854786 632324067 /nfs/dbraw/zinc/32/40/67/632324067.db2.gz MRRRLUXBJGBHTK-CYBMUJFWSA-N 0 0 290.407 2.636 20 10 CFCDRN CC(C)(C)CNC(=O)NCc1cc(Cl)ccc1O ZINC000844914951 632334488 /nfs/dbraw/zinc/33/44/88/632334488.db2.gz ABPDNHSZHHCTEZ-UHFFFAOYSA-N 0 0 270.760 2.891 20 10 CFCDRN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844921175 632336134 /nfs/dbraw/zinc/33/61/34/632336134.db2.gz GMLMIKZCAIJURW-VIFPVBQESA-N 0 0 282.771 2.891 20 10 CFCDRN CCN(CC)c1ccc(C[N@@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844937886 632341925 /nfs/dbraw/zinc/34/19/25/632341925.db2.gz ZJUFLCSXQXQBNB-UHFFFAOYSA-N 0 0 290.407 2.829 20 10 CFCDRN Cc1ccc(O)c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000844938567 632342034 /nfs/dbraw/zinc/34/20/34/632342034.db2.gz JDFPKIHRFOCOOC-GOSISDBHSA-N 0 0 299.370 2.833 20 10 CFCDRN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000844939010 632343008 /nfs/dbraw/zinc/34/30/08/632343008.db2.gz YBBBRXAVCGCWRA-CQSZACIVSA-N 0 0 296.386 2.967 20 10 CFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000845268174 632398148 /nfs/dbraw/zinc/39/81/48/632398148.db2.gz CLNIXYNDJCOWPT-BZBKMWRSSA-N 0 0 280.755 2.643 20 10 CFCDRN CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528924 632479007 /nfs/dbraw/zinc/47/90/07/632479007.db2.gz YCJIALUGEGRWBV-LLVKDONJSA-N 0 0 286.778 2.759 20 10 CFCDRN C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816541933 632480471 /nfs/dbraw/zinc/48/04/71/632480471.db2.gz YKWACEAAMHMXAH-SECBINFHSA-N 0 0 295.745 2.696 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000816552635 632482653 /nfs/dbraw/zinc/48/26/53/632482653.db2.gz RHOLBYFUZKCPDV-SNVBAGLBSA-N 0 0 295.745 2.555 20 10 CFCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816557675 632484431 /nfs/dbraw/zinc/48/44/31/632484431.db2.gz XUDRXIJNYREGFN-ZDUSSCGKSA-N 0 0 273.735 2.843 20 10 CFCDRN COC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC1 ZINC000816566200 632486565 /nfs/dbraw/zinc/48/65/65/632486565.db2.gz NZQWAJKFZHQLJW-UHFFFAOYSA-N 0 0 273.735 2.843 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1CCO ZINC000816574728 632488153 /nfs/dbraw/zinc/48/81/53/632488153.db2.gz PZGZOVYISDSCCG-JTQLQIEISA-N 0 0 273.735 2.532 20 10 CFCDRN Oc1cc(F)c(Cl)cc1CN1CCCc2n[nH]cc21 ZINC000816594213 632491798 /nfs/dbraw/zinc/49/17/98/632491798.db2.gz UDNDRHJPHILPSY-UHFFFAOYSA-N 0 0 281.718 2.861 20 10 CFCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000816601047 632493080 /nfs/dbraw/zinc/49/30/80/632493080.db2.gz PQYQHKSGPUCTLJ-QMMMGPOBSA-N 0 0 295.688 2.998 20 10 CFCDRN CCOc1ccc(CN2C[C@H](CO)c3ccccc32)c(O)c1 ZINC000816636649 632498524 /nfs/dbraw/zinc/49/85/24/632498524.db2.gz DAAIEMIITMHXIP-CQSZACIVSA-N 0 0 299.370 2.887 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000816667674 632510158 /nfs/dbraw/zinc/51/01/58/632510158.db2.gz UBHOVZFEASJCRC-NSHDSACASA-N 0 0 273.735 2.532 20 10 CFCDRN COc1ccccc1NC[C@@H](O)COc1ccccc1C ZINC000005590142 632512058 /nfs/dbraw/zinc/51/20/58/632512058.db2.gz VMJHWNQPIFCIEX-CQSZACIVSA-N 0 0 287.359 2.855 20 10 CFCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)cc1O ZINC000816889453 632531251 /nfs/dbraw/zinc/53/12/51/632531251.db2.gz YPZBFZWOCQBAAO-UHFFFAOYSA-N 0 0 299.326 2.573 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C(/C)COC ZINC000845791418 632565901 /nfs/dbraw/zinc/56/59/01/632565901.db2.gz NQUJFWSGDPEEGA-RAXLEYEMSA-N 0 0 277.364 2.724 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C1CCCC1 ZINC000845832588 632577323 /nfs/dbraw/zinc/57/73/23/632577323.db2.gz DGIPNJWHPXUUHJ-UONOGXRCSA-N 0 0 289.375 2.583 20 10 CFCDRN COc1ccc(N(C)Cc2c(Cl)cnn2C)cc1 ZINC000845999190 632610780 /nfs/dbraw/zinc/61/07/80/632610780.db2.gz RGURAKBUHHZSQV-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN COC1([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])CCOCC1 ZINC000817420342 632628151 /nfs/dbraw/zinc/62/81/51/632628151.db2.gz SBEJJYNRQKLYAG-LLVKDONJSA-N 0 0 299.798 2.719 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CC1(F)F ZINC000817433614 632633045 /nfs/dbraw/zinc/63/30/45/632633045.db2.gz UMKIRLRNYVRKQI-CQSZACIVSA-N 0 0 282.334 2.723 20 10 CFCDRN C[C@H](NC(=O)[C@@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000817445011 632636732 /nfs/dbraw/zinc/63/67/32/632636732.db2.gz DIABEIKMXITTMA-FZMZJTMJSA-N 0 0 258.365 2.730 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC12CC2 ZINC000817457688 632641148 /nfs/dbraw/zinc/64/11/48/632641148.db2.gz RDYZUODVTKHBPJ-CZUORRHYSA-N 0 0 286.419 2.908 20 10 CFCDRN COc1cccc([C@H](C)NC2(C(F)F)CC2)c1O ZINC000846168247 632651614 /nfs/dbraw/zinc/65/16/14/632651614.db2.gz RNJGATOBRPSZMU-QMMMGPOBSA-N 0 0 257.280 2.849 20 10 CFCDRN CCc1nnc(CN[C@H](C)c2cccc(OC)c2O)s1 ZINC000846173276 632654300 /nfs/dbraw/zinc/65/43/00/632654300.db2.gz QKEXWFRELDTQDW-SECBINFHSA-N 0 0 293.392 2.666 20 10 CFCDRN C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(F)cc1[O-] ZINC000846209791 632660430 /nfs/dbraw/zinc/66/04/30/632660430.db2.gz HCLRLHKQNYYSMX-LLVKDONJSA-N 0 0 267.344 2.735 20 10 CFCDRN CCCc1[nH]ccc1C(=O)N(C)Cc1ccccc1O ZINC000817548029 632660479 /nfs/dbraw/zinc/66/04/79/632660479.db2.gz VKAGCDFTVZSOMG-UHFFFAOYSA-N 0 0 272.348 2.945 20 10 CFCDRN COC[C@H](O)COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817570777 632666706 /nfs/dbraw/zinc/66/67/06/632666706.db2.gz GZOQBEKBOHGXCG-LBPRGKRZSA-N 0 0 299.798 2.716 20 10 CFCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000817586003 632671464 /nfs/dbraw/zinc/67/14/64/632671464.db2.gz KVGSISUTXUVKPM-GMXVVIOVSA-N 0 0 294.351 2.909 20 10 CFCDRN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)ccc1O ZINC000817587566 632672255 /nfs/dbraw/zinc/67/22/55/632672255.db2.gz YULASDNQGNBKLM-LBPRGKRZSA-N 0 0 296.798 2.742 20 10 CFCDRN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846277871 632681391 /nfs/dbraw/zinc/68/13/91/632681391.db2.gz JXOPDMXDIPGNNM-ZDUSSCGKSA-N 0 0 278.396 2.746 20 10 CFCDRN C[C@@]1(CCNC(=O)c2cccc(O)c2O)C[C@]1(F)Cl ZINC000846413022 632707232 /nfs/dbraw/zinc/70/72/32/632707232.db2.gz SFUIBNSXRSLAHD-CHWSQXEVSA-N 0 0 287.718 2.532 20 10 CFCDRN CCn1ncc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1 ZINC000817760951 632708573 /nfs/dbraw/zinc/70/85/73/632708573.db2.gz GEAJSUIJAWBVFA-UHFFFAOYSA-N 0 0 298.346 2.626 20 10 CFCDRN Cc1cc(NC(=O)Nc2ccc(N)cc2)nn1C(C)C ZINC000817868473 632715694 /nfs/dbraw/zinc/71/56/94/632715694.db2.gz XAXBTKDAPGPOIP-UHFFFAOYSA-N 0 0 273.340 2.999 20 10 CFCDRN CC(C)SCC(=O)NCc1cc(Cl)ccc1O ZINC000846474114 632715858 /nfs/dbraw/zinc/71/58/58/632715858.db2.gz ZJKZKBHVSBWIFF-UHFFFAOYSA-N 0 0 273.785 2.803 20 10 CFCDRN CC[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)O1 ZINC000846474734 632716714 /nfs/dbraw/zinc/71/67/14/632716714.db2.gz BDABBGXEGZUNMF-DGCLKSJQSA-N 0 0 283.755 2.619 20 10 CFCDRN COC[C@@H](C)[C@H](C)C(=O)NCc1cc(Cl)ccc1O ZINC000846476378 632717018 /nfs/dbraw/zinc/71/70/18/632717018.db2.gz KVHAWAUZILISJA-ZJUUUORDSA-N 0 0 285.771 2.580 20 10 CFCDRN CC[C@@H](SC)C(=O)NCc1cc(Cl)ccc1O ZINC000846476689 632717340 /nfs/dbraw/zinc/71/73/40/632717340.db2.gz OMKLTVAZCSNZNM-LLVKDONJSA-N 0 0 273.785 2.803 20 10 CFCDRN CC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817905734 632727869 /nfs/dbraw/zinc/72/78/69/632727869.db2.gz SCFNYYFYKSMTKX-UHFFFAOYSA-N 0 0 289.404 2.844 20 10 CFCDRN C[C@@H](NCC(F)(F)CN)c1ccc2ccccc2c1O ZINC000817965775 632763892 /nfs/dbraw/zinc/76/38/92/632763892.db2.gz CHYAGVYKWWADNJ-SNVBAGLBSA-N 0 0 280.318 2.790 20 10 CFCDRN CCN(Cc1cc(C(C)=O)no1)c1ccc(OC)cc1 ZINC000846822698 632811317 /nfs/dbraw/zinc/81/13/17/632811317.db2.gz FMAGGGXULUAVBC-UHFFFAOYSA-N 0 0 274.320 2.912 20 10 CFCDRN OCCOCc1ccc(NCc2ccccc2O)cc1 ZINC000818234109 632817625 /nfs/dbraw/zinc/81/76/25/632817625.db2.gz SOGSAERDTVXGJC-UHFFFAOYSA-N 0 0 273.332 2.513 20 10 CFCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1c(C)noc1C ZINC000846903388 632840173 /nfs/dbraw/zinc/84/01/73/632840173.db2.gz YXHLQOMGFKIPTM-CSKARUKUSA-N 0 0 271.320 2.753 20 10 CFCDRN Nc1ccc(NC(=O)CCCC2CCOCC2)cc1 ZINC000818556254 632865505 /nfs/dbraw/zinc/86/55/05/632865505.db2.gz DZCKVYKUCRJGDW-UHFFFAOYSA-N 0 0 262.353 2.804 20 10 CFCDRN Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(N)cc1 ZINC000818556395 632865623 /nfs/dbraw/zinc/86/56/23/632865623.db2.gz RBKIWAAYNCHDGY-UHFFFAOYSA-N 0 0 271.320 2.770 20 10 CFCDRN CC(C)=CCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170745 632995436 /nfs/dbraw/zinc/99/54/36/632995436.db2.gz NTOGZYJSGGSCFH-UHFFFAOYSA-N 0 0 288.347 2.513 20 10 CFCDRN CCCOc1ccccc1NC[C@H](O)COCC(C)C ZINC000819399780 633148865 /nfs/dbraw/zinc/14/88/65/633148865.db2.gz XNPHQZMIXVAXEZ-AWEZNQCLSA-N 0 0 281.396 2.921 20 10 CFCDRN CC[C@H](O)CNc1ccccc1OC[C@H]1CCCCO1 ZINC000819427642 633159258 /nfs/dbraw/zinc/15/92/58/633159258.db2.gz ULKFULYEAAIOFX-UONOGXRCSA-N 0 0 279.380 2.817 20 10 CFCDRN CC(C)OC(=O)C[C@@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000848392151 633247411 /nfs/dbraw/zinc/24/74/11/633247411.db2.gz VSAJKYMRZMPOEA-LLVKDONJSA-N 0 0 299.392 2.550 20 10 CFCDRN CCN(CC)c1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848639688 633305740 /nfs/dbraw/zinc/30/57/40/633305740.db2.gz JCRAXVCMVQHDRP-UHFFFAOYSA-N 0 0 290.407 2.972 20 10 CFCDRN CCc1cccc(CNc2ncccc2OC)c1O ZINC000848901321 633389351 /nfs/dbraw/zinc/38/93/51/633389351.db2.gz XJHZIXWKMBBUFW-UHFFFAOYSA-N 0 0 258.321 2.970 20 10 CFCDRN CCOC(=O)CN(Cc1cccc(CC)c1O)C1CCC1 ZINC000848902705 633389387 /nfs/dbraw/zinc/38/93/87/633389387.db2.gz GRZHQYDRXDALCE-UHFFFAOYSA-N 0 0 291.391 2.872 20 10 CFCDRN CN(C(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000849028299 633469320 /nfs/dbraw/zinc/46/93/20/633469320.db2.gz HBWNYBZZLOMHHG-UHFFFAOYSA-N 0 0 288.178 2.818 20 10 CFCDRN CCCCN1CC(=O)N[C@@H]1c1cc(Cl)c(C)cc1O ZINC000849183295 633580111 /nfs/dbraw/zinc/58/01/11/633580111.db2.gz RBZCNZMUJIWJCW-AWEZNQCLSA-N 0 0 282.771 2.585 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1CNC1=[NH+]CCCCN1 ZINC000849216671 633583992 /nfs/dbraw/zinc/58/39/92/633583992.db2.gz QBMOOWBXNBFKEW-UHFFFAOYSA-N 0 0 288.178 2.528 20 10 CFCDRN CCN(CC)c1ccc(CNC(=S)NCC2CC2)cc1 ZINC000849255391 633593582 /nfs/dbraw/zinc/59/35/82/633593582.db2.gz NUZOHZLPKAZIFP-UHFFFAOYSA-N 0 0 291.464 2.907 20 10 CFCDRN COc1ccc(O)c([C@@H](C)NCc2cscn2)c1 ZINC000108941489 633744961 /nfs/dbraw/zinc/74/49/61/633744961.db2.gz RENFGGWSMJRNDN-SECBINFHSA-N 0 0 264.350 2.708 20 10 CFCDRN O=C1OCC[C@H]1CCSc1ncc(Cl)s1 ZINC000850000456 633785886 /nfs/dbraw/zinc/78/58/86/633785886.db2.gz VSNQRSXNGRQIPD-LURJTMIESA-N 0 0 263.771 2.842 20 10 CFCDRN O=C(CSc1ncc(Cl)s1)N1CCCCC1 ZINC000849998595 633786538 /nfs/dbraw/zinc/78/65/38/633786538.db2.gz PJZYVMXIINKRHE-UHFFFAOYSA-N 0 0 276.814 2.901 20 10 CFCDRN CN(C(=O)CSc1ncc(Cl)s1)C1CC1 ZINC000849998124 633787084 /nfs/dbraw/zinc/78/70/84/633787084.db2.gz AVHIKYKPZNOWQZ-UHFFFAOYSA-N 0 0 262.787 2.509 20 10 CFCDRN C[C@H]1CN(CCSc2ncc(Cl)s2)C[C@H](C)O1 ZINC000850001944 633787402 /nfs/dbraw/zinc/78/74/02/633787402.db2.gz PQPXNHJUSQMHNN-IUCAKERBSA-N 0 0 292.857 2.998 20 10 CFCDRN C[C@@H]1CN(CCSc2ncc(Cl)s2)C[C@@H](C)O1 ZINC000850001945 633787802 /nfs/dbraw/zinc/78/78/02/633787802.db2.gz PQPXNHJUSQMHNN-RKDXNWHRSA-N 0 0 292.857 2.998 20 10 CFCDRN Cc1nc(CNCc2ccc(N(C)C)c(F)c2)[nH]c1C ZINC000850099616 633840490 /nfs/dbraw/zinc/84/04/90/633840490.db2.gz QCXLGDOLLPJGRI-UHFFFAOYSA-N 0 0 276.359 2.521 20 10 CFCDRN Cc1nc(CNc2ccccc2OCCF)[nH]c1C ZINC000850313071 633939545 /nfs/dbraw/zinc/93/95/45/633939545.db2.gz NKHKCNNARJNYTO-UHFFFAOYSA-N 0 0 263.316 2.987 20 10 CFCDRN CC1(C)C[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850398778 633976877 /nfs/dbraw/zinc/97/68/77/633976877.db2.gz CELGCILOUVAOTG-ZDUSSCGKSA-N 0 0 250.298 2.579 20 10 CFCDRN Cc1cn(C)nc1NCc1c(O)ccc(Cl)c1F ZINC000850420329 633985499 /nfs/dbraw/zinc/98/54/99/633985499.db2.gz NIHGSNZIMBNOJH-UHFFFAOYSA-N 0 0 269.707 2.839 20 10 CFCDRN COC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000850481001 634012408 /nfs/dbraw/zinc/01/24/08/634012408.db2.gz DGQRMAGGNNYXOV-ZBOXLXRLSA-N 0 0 294.351 2.766 20 10 CFCDRN COC[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OC ZINC000850486012 634014843 /nfs/dbraw/zinc/01/48/43/634014843.db2.gz QJBBTVXKFJQUQG-JQWIXIFHSA-N 0 0 287.787 2.748 20 10 CFCDRN Cc1cc(C)c([C@H](C)NCc2ncccn2)c(O)c1 ZINC000850551653 634049501 /nfs/dbraw/zinc/04/95/01/634049501.db2.gz IQTYHUAYYZCRLX-LBPRGKRZSA-N 0 0 257.337 2.650 20 10 CFCDRN CO[C@@H](CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000850750258 634078255 /nfs/dbraw/zinc/07/82/55/634078255.db2.gz IWVAEKCVNWVYFW-HNNXBMFYSA-N 0 0 291.395 2.986 20 10 CFCDRN CSCC1(CCNC(=O)Nc2ccc(N)cc2)CC1 ZINC000850753335 634079236 /nfs/dbraw/zinc/07/92/36/634079236.db2.gz XZYPMOSYCXEYPF-UHFFFAOYSA-N 0 0 279.409 2.924 20 10 CFCDRN O=C1NC(=S)S/C1=C\c1coc(-c2ccccc2)n1 ZINC000109707383 634184978 /nfs/dbraw/zinc/18/49/78/634184978.db2.gz QNWYCGBLIFTXII-POHAHGRESA-N 0 0 288.353 2.830 20 10 CFCDRN Cc1noc(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000109760987 634232512 /nfs/dbraw/zinc/23/25/12/634232512.db2.gz ANAWZZFRXOBQIT-UHFFFAOYSA-N 0 0 299.330 2.879 20 10 CFCDRN CN(CC(=O)Nc1cccc(F)c1)Cc1ccccc1O ZINC000109771530 634233499 /nfs/dbraw/zinc/23/34/99/634233499.db2.gz LBILRYQQCHJDOG-UHFFFAOYSA-N 0 0 288.322 2.602 20 10 CFCDRN Fc1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000853159445 634921466 /nfs/dbraw/zinc/92/14/66/634921466.db2.gz ICOIKLBUSCPZJS-UHFFFAOYSA-N 0 0 272.327 2.828 20 10 CFCDRN CN1CCCc2cc(CNc3cnc(F)cn3)ccc21 ZINC000853241387 634949660 /nfs/dbraw/zinc/94/96/60/634949660.db2.gz RPRSPMZRGROIRE-UHFFFAOYSA-N 0 0 272.327 2.610 20 10 CFCDRN CCNc1nccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000853241210 634949786 /nfs/dbraw/zinc/94/97/86/634949786.db2.gz PSJPRYYETLTVPS-UHFFFAOYSA-N 0 0 289.358 2.726 20 10 CFCDRN CN(Cc1nnc(C(C)(C)C)o1)Cc1ccccc1O ZINC000111235555 634963149 /nfs/dbraw/zinc/96/31/49/634963149.db2.gz QTBUMAJQZFHISK-UHFFFAOYSA-N 0 0 275.352 2.705 20 10 CFCDRN Oc1ccc2c(c1CNc1cnc(F)cn1)CCCC2 ZINC000853383352 634989647 /nfs/dbraw/zinc/98/96/47/634989647.db2.gz UNHUTKIPEQVVRP-UHFFFAOYSA-N 0 0 273.311 2.812 20 10 CFCDRN CN(Cc1ccccc1O)c1nccnc1OC1CCC1 ZINC000853461962 635006671 /nfs/dbraw/zinc/00/66/71/635006671.db2.gz FROSNSYZUGHBPC-UHFFFAOYSA-N 0 0 285.347 2.750 20 10 CFCDRN COC(=O)C1(COc2ccc(N3CCCC3)cc2)CC1 ZINC000853674566 635070752 /nfs/dbraw/zinc/07/07/52/635070752.db2.gz CTDGQFPXXAGYKP-UHFFFAOYSA-N 0 0 275.348 2.619 20 10 CFCDRN CO[C@@H](COc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 ZINC000853675175 635070780 /nfs/dbraw/zinc/07/07/80/635070780.db2.gz OPVXPDJFOSFKRZ-YOEHRIQHSA-N 0 0 291.391 2.717 20 10 CFCDRN C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000854271366 635277691 /nfs/dbraw/zinc/27/76/91/635277691.db2.gz DTMYKIVCNMPDCC-XJKSGUPXSA-N 0 0 290.407 2.574 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCOC1 ZINC000854806569 635397527 /nfs/dbraw/zinc/39/75/27/635397527.db2.gz SCYLVBQQJOGLHX-UHFFFAOYSA-N 0 0 284.359 2.832 20 10 CFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCF ZINC000854949855 635428453 /nfs/dbraw/zinc/42/84/53/635428453.db2.gz XTVWBYDKUMHKTE-ZDUSSCGKSA-N 0 0 280.387 2.858 20 10 CFCDRN CC/C(C)=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223956 635489782 /nfs/dbraw/zinc/48/97/82/635489782.db2.gz JKPHRSNJCVIFAT-YPDDLIOESA-N 0 0 288.391 2.746 20 10 CFCDRN CCCCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232393 635489991 /nfs/dbraw/zinc/48/99/91/635489991.db2.gz RCFCJUQPNCFVFB-AWEZNQCLSA-N 0 0 290.407 2.970 20 10 CFCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)CS1 ZINC000856243942 635764273 /nfs/dbraw/zinc/76/42/73/635764273.db2.gz WMNCPBXOMYXZAF-PBINXNQUSA-N 0 0 251.351 2.857 20 10 CFCDRN CC(C)(C)C(F)(F)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000856278860 635773080 /nfs/dbraw/zinc/77/30/80/635773080.db2.gz VXPNGGWXFGUOAQ-ALCCZGGFSA-N 0 0 299.317 2.909 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Nc2ccccc2)c1 ZINC000114512510 635836654 /nfs/dbraw/zinc/83/66/54/635836654.db2.gz PREAKXBDRAECIJ-UHFFFAOYSA-N 0 0 272.304 2.723 20 10 CFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(F)c2)c1 ZINC000114512504 635836752 /nfs/dbraw/zinc/83/67/52/635836752.db2.gz XTFRTDTUBBWURB-UHFFFAOYSA-N 0 0 290.294 2.862 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000114542235 635837837 /nfs/dbraw/zinc/83/78/37/635837837.db2.gz PFIMCJYUJBZJRM-UHFFFAOYSA-N 0 0 285.343 2.948 20 10 CFCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)cc2)c1 ZINC000114543281 635838626 /nfs/dbraw/zinc/83/86/26/635838626.db2.gz LALFQDGNGBUKSD-UHFFFAOYSA-N 0 0 271.316 2.639 20 10 CFCDRN COc1ccc(O)c(CNC(=O)CSC(C)(C)C)c1 ZINC000114542644 635838678 /nfs/dbraw/zinc/83/86/78/635838678.db2.gz RFFRARACFMLYRD-UHFFFAOYSA-N 0 0 283.393 2.549 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1[nH]c(C)nc1C ZINC000857100073 635929366 /nfs/dbraw/zinc/92/93/66/635929366.db2.gz YVOODMAVSPFRIY-UHFFFAOYSA-N 0 0 287.363 2.785 20 10 CFCDRN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(O)c1O ZINC000857335009 635966973 /nfs/dbraw/zinc/96/69/73/635966973.db2.gz OZUYCQTVGFVSPJ-PBINXNQUSA-N 0 0 279.311 2.640 20 10 CFCDRN O=C(NCC[C@H]1CC1(Cl)Cl)C1=CC(=O)CS1 ZINC000857376840 635970236 /nfs/dbraw/zinc/97/02/36/635970236.db2.gz JZXGWWYMTDSYDE-LURJTMIESA-N 0 0 280.176 2.767 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CCCO1 ZINC000115280248 635982195 /nfs/dbraw/zinc/98/21/95/635982195.db2.gz ARIKIWKEXWEYKX-INIZCTEOSA-N 0 0 290.407 2.636 20 10 CFCDRN CCc1ncc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547416 635982611 /nfs/dbraw/zinc/98/26/11/635982611.db2.gz CKHZVXXQULMQDA-UHFFFAOYSA-N 0 0 296.779 2.995 20 10 CFCDRN O=C(NCCCSc1nccs1)N1CCCCC1 ZINC000115633143 636026098 /nfs/dbraw/zinc/02/60/98/636026098.db2.gz NMPBHEOIQINYOT-UHFFFAOYSA-N 0 0 285.438 2.821 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nccs1 ZINC000115640385 636026504 /nfs/dbraw/zinc/02/65/04/636026504.db2.gz YHCQNBZWTTYHSK-UHFFFAOYSA-N 0 0 290.392 2.839 20 10 CFCDRN CCN(CC)c1ccc(CN2CCc3n[nH]cc3C2)cc1 ZINC000857875396 636044485 /nfs/dbraw/zinc/04/44/85/636044485.db2.gz MERJGTANHMQWOK-UHFFFAOYSA-N 0 0 284.407 2.814 20 10 CFCDRN Cc1cc(CN2Cc3ccncc3C2)ccc1N(C)C ZINC000857881490 636045888 /nfs/dbraw/zinc/04/58/88/636045888.db2.gz HDHRBQNFTGNUOG-UHFFFAOYSA-N 0 0 267.376 2.972 20 10 CFCDRN CCc1cc(NCc2cc(F)c(N(C)C)cc2F)nn1C ZINC000858179864 636148477 /nfs/dbraw/zinc/14/84/77/636148477.db2.gz GZJPKEREZHPVOO-UHFFFAOYSA-N 0 0 294.349 2.939 20 10 CFCDRN CCC[C@@H](OCC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199753 636154013 /nfs/dbraw/zinc/15/40/13/636154013.db2.gz QMWFCGPTUIBUQZ-MRXNPFEDSA-N 0 0 292.423 2.916 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccncc2)c1 ZINC000858269036 636173168 /nfs/dbraw/zinc/17/31/68/636173168.db2.gz CDTPMEKLXKIYAX-ZDUSSCGKSA-N 0 0 299.374 2.699 20 10 CFCDRN CC[C@H](CSC)NC(=O)NCc1cc(C)ccc1O ZINC000858345716 636200291 /nfs/dbraw/zinc/20/02/91/636200291.db2.gz FJFXILXSEMBVIK-GFCCVEGCSA-N 0 0 282.409 2.641 20 10 CFCDRN CC[C@H](C)[C@H](CNC(=O)NCc1cc(C)ccc1O)OC ZINC000858504297 636274809 /nfs/dbraw/zinc/27/48/09/636274809.db2.gz PALVCTMMXZBKCK-WFASDCNBSA-N 0 0 294.395 2.561 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CC2(F)F)c1 ZINC000858614247 636308568 /nfs/dbraw/zinc/30/85/68/636308568.db2.gz GTQBNJCGPDPEKW-ZDUSSCGKSA-N 0 0 284.306 2.545 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000858654901 636317933 /nfs/dbraw/zinc/31/79/33/636317933.db2.gz VHHLBNUQEKMHLB-HZSPNIEDSA-N 0 0 288.391 2.936 20 10 CFCDRN C/C=C\CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000858888209 636371897 /nfs/dbraw/zinc/37/18/97/636371897.db2.gz IPWBJHRBDWEWRW-IHWYPQMZSA-N 0 0 274.364 2.646 20 10 CFCDRN CCCOC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000859006724 636408075 /nfs/dbraw/zinc/40/80/75/636408075.db2.gz LNFLBPPETBUIPY-VIFPVBQESA-N 0 0 253.298 2.598 20 10 CFCDRN CN(C)c1ccc(CNC(=O)CSC(F)(F)F)cc1 ZINC000048103776 650255255 /nfs/dbraw/zinc/25/52/55/650255255.db2.gz FRRXIUYIHZLALE-UHFFFAOYSA-N 0 0 292.326 2.622 20 10 CFCDRN COc1ccc2c(c1)CCCN2CCOC1CCOCC1 ZINC000859069277 636438297 /nfs/dbraw/zinc/43/82/97/636438297.db2.gz ICULGRYXMCFUCL-UHFFFAOYSA-N 0 0 291.391 2.643 20 10 CFCDRN CCc1[nH]nc(Cl)c1C(=O)N(C)Cc1ccccc1O ZINC000860047375 636767556 /nfs/dbraw/zinc/76/75/56/636767556.db2.gz DAZJTRPWMNOMFN-UHFFFAOYSA-N 0 0 293.754 2.603 20 10 CFCDRN C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccco1 ZINC000860236332 636835663 /nfs/dbraw/zinc/83/56/63/636835663.db2.gz FTVUEFYIEWCYEM-NSHDSACASA-N 0 0 289.331 2.543 20 10 CFCDRN 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COC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863163475 637576301 /nfs/dbraw/zinc/57/63/01/637576301.db2.gz FEZJYDVOTYBXMQ-UHFFFAOYSA-N 0 0 298.386 2.889 20 10 CFCDRN C[C@H]1Cc2ccccc2N1C(=O)CN(C)c1ccc(N)cc1 ZINC000863556241 637694715 /nfs/dbraw/zinc/69/47/15/637694715.db2.gz PBJQWLTWMLQELE-ZDUSSCGKSA-N 0 0 295.386 2.683 20 10 CFCDRN CC1CCC(N(C)C(=O)CN(C)c2ccc(N)cc2)CC1 ZINC000863557994 637696053 /nfs/dbraw/zinc/69/60/53/637696053.db2.gz ZBHAFYBSFOATNJ-UHFFFAOYSA-N 0 0 289.423 2.742 20 10 CFCDRN CN(Cc1cccc2c1OCCO2)c1ccc(N)cc1 ZINC000863557943 637696438 /nfs/dbraw/zinc/69/64/38/637696438.db2.gz YFEUMHBTXPQPTG-UHFFFAOYSA-N 0 0 270.332 2.676 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000863738850 637766399 /nfs/dbraw/zinc/76/63/99/637766399.db2.gz FSUQRPXZAGLUFN-OCCSQVGLSA-N 0 0 277.364 2.552 20 10 CFCDRN C/C=C\C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000863817375 637788530 /nfs/dbraw/zinc/78/85/30/637788530.db2.gz KPPJJFKGTBMMAZ-DLGQBQFBSA-N 0 0 275.348 2.916 20 10 CFCDRN CC1(F)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050290 637843767 /nfs/dbraw/zinc/84/37/67/637843767.db2.gz BQZJBBPZOFCGRM-UHFFFAOYSA-N 0 0 259.271 2.994 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NC2CCCCC2)c1 ZINC000864395960 637961670 /nfs/dbraw/zinc/96/16/70/637961670.db2.gz DZKVPWOQMQIPSV-UHFFFAOYSA-N 0 0 262.353 2.833 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/COC)cc1 ZINC000864636210 638055140 /nfs/dbraw/zinc/05/51/40/638055140.db2.gz BNXGQWZZVXAMNW-BQYQJAHWSA-N 0 0 290.407 2.694 20 10 CFCDRN CO[C@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000189842833 650397740 /nfs/dbraw/zinc/39/77/40/650397740.db2.gz JGUPJGRVMANKKR-CQSZACIVSA-N 0 0 286.375 2.859 20 10 CFCDRN CCN(CC)c1ccc(CNc2ncc3c(n2)COC3)cc1 ZINC000865294636 638261471 /nfs/dbraw/zinc/26/14/71/638261471.db2.gz NVJTXIJMXAHMQJ-UHFFFAOYSA-N 0 0 298.390 2.965 20 10 CFCDRN Cc1csc(Sc2ncc([N+](=O)[O-])s2)n1 ZINC000190301140 650425375 /nfs/dbraw/zinc/42/53/75/650425375.db2.gz IOEWOCFUZOKTNR-UHFFFAOYSA-N 0 0 259.337 2.967 20 10 CFCDRN CCO[C@H](C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000120767707 638616058 /nfs/dbraw/zinc/61/60/58/638616058.db2.gz HKUDXRAPIREPQH-LLVKDONJSA-N 0 0 291.351 2.505 20 10 CFCDRN CC(C)c1nnc(N2Cc3cccc(O)c3C2)s1 ZINC000866117627 638745408 /nfs/dbraw/zinc/74/54/08/638745408.db2.gz QCRBQIQQLYGULY-UHFFFAOYSA-N 0 0 261.350 2.887 20 10 CFCDRN CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000866415931 638817774 /nfs/dbraw/zinc/81/77/74/638817774.db2.gz IQIILKIHBAPUGV-CWSCBRNRSA-N 0 0 269.772 2.857 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)CCC1(O)CCC1 ZINC000866602008 638852353 /nfs/dbraw/zinc/85/23/53/638852353.db2.gz XYGLIQQPYXLAKX-UHFFFAOYSA-N 0 0 291.391 2.826 20 10 CFCDRN CCO[C@H](C(=O)NCc1ccccc1O)C1CCCC1 ZINC000866754780 638873659 /nfs/dbraw/zinc/87/36/59/638873659.db2.gz DMWYZDVCPZKXCD-HNNXBMFYSA-N 0 0 277.364 2.604 20 10 CFCDRN CN(Cc1nc(-c2ccoc2)no1)c1ccc2c(c1)OCO2 ZINC000121241745 638877778 /nfs/dbraw/zinc/87/77/78/638877778.db2.gz KMTPZCNFNWBVQU-UHFFFAOYSA-N 0 0 299.286 2.695 20 10 CFCDRN C[S@](=O)c1cccc(NCc2ccccc2O)c1 ZINC000121857342 638899914 /nfs/dbraw/zinc/89/99/14/638899914.db2.gz HNNUNIWWMUUSRU-GOSISDBHSA-N 0 0 261.346 2.742 20 10 CFCDRN COc1ccc(N(C)CC(=O)N[C@H](C)C(C)C)cc1Cl ZINC000121941422 638908462 /nfs/dbraw/zinc/90/84/62/638908462.db2.gz MYEBEQINTPDOLH-LLVKDONJSA-N 0 0 298.814 2.946 20 10 CFCDRN Nc1ccc(NC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000868163350 638926732 /nfs/dbraw/zinc/92/67/32/638926732.db2.gz NWCHEOYXEPHELH-LSDHHAIUSA-N 0 0 289.379 2.738 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC23CCOCC3)cc1 ZINC000868163354 638926775 /nfs/dbraw/zinc/92/67/75/638926775.db2.gz OAAPBNQQHZJUHC-LBPRGKRZSA-N 0 0 289.379 2.597 20 10 CFCDRN C[C@@H](NC(=O)NC[C@H]1CC1(C)C)c1ccccc1O ZINC000868243292 638931862 /nfs/dbraw/zinc/93/18/62/638931862.db2.gz DZXZMTQWRKYCNM-GHMZBOCLSA-N 0 0 262.353 2.799 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@H]1CC1(C)C)c1ccccc1O ZINC000868243293 638932007 /nfs/dbraw/zinc/93/20/07/638932007.db2.gz DZXZMTQWRKYCNM-MNOVXSKESA-N 0 0 262.353 2.799 20 10 CFCDRN CSCCCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868275719 638933871 /nfs/dbraw/zinc/93/38/71/638933871.db2.gz IEENKTNCCQXVDI-LLVKDONJSA-N 0 0 282.409 2.896 20 10 CFCDRN CSCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868277943 638934213 /nfs/dbraw/zinc/93/42/13/638934213.db2.gz WVFXWSNSOLKRBY-QWRGUYRKSA-N 0 0 282.409 2.894 20 10 CFCDRN CSCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868277944 638934220 /nfs/dbraw/zinc/93/42/20/638934220.db2.gz WVFXWSNSOLKRBY-WDEREUQCSA-N 0 0 282.409 2.894 20 10 CFCDRN CSC(C)(C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868327156 638938041 /nfs/dbraw/zinc/93/80/41/638938041.db2.gz TYYMYWLDUHEMHL-SNVBAGLBSA-N 0 0 282.409 2.894 20 10 CFCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000868441614 638945841 /nfs/dbraw/zinc/94/58/41/638945841.db2.gz YCGQTPJMTFUXTB-CORIIIEPSA-N 0 0 292.379 2.710 20 10 CFCDRN Cc1cncc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868450042 638946340 /nfs/dbraw/zinc/94/63/40/638946340.db2.gz AQNNPOGTVCTEQJ-GFCCVEGCSA-N 0 0 285.347 2.656 20 10 CFCDRN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868579819 638958518 /nfs/dbraw/zinc/95/85/18/638958518.db2.gz GHMNOOYQANDTGQ-WHOFXGATSA-N 0 0 292.379 2.710 20 10 CFCDRN CCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000122227484 638960442 /nfs/dbraw/zinc/96/04/42/638960442.db2.gz MUGQWQHRVKSDTM-UHFFFAOYSA-N 0 0 291.372 2.694 20 10 CFCDRN C[C@H](NC(=O)NCCC(C)(F)F)c1ccccc1O ZINC000868657563 638966288 /nfs/dbraw/zinc/96/62/88/638966288.db2.gz SAMWOZLLWDYKMJ-VIFPVBQESA-N 0 0 272.295 2.798 20 10 CFCDRN COC1CC(CCNC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868760156 638976124 /nfs/dbraw/zinc/97/61/24/638976124.db2.gz QSZZUTJCWSSAAU-HIFPTAJRSA-N 0 0 292.379 2.568 20 10 CFCDRN COC1CC(CCNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868760157 638976227 /nfs/dbraw/zinc/97/62/27/638976227.db2.gz QSZZUTJCWSSAAU-PNESKVBLSA-N 0 0 292.379 2.568 20 10 CFCDRN C[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000868775041 638978145 /nfs/dbraw/zinc/97/81/45/638978145.db2.gz CLHNNSUXWPIZRQ-NOZJJQNGSA-N 0 0 284.306 2.798 20 10 CFCDRN C[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1O ZINC000868775117 638978338 /nfs/dbraw/zinc/97/83/38/638978338.db2.gz CLHNNSUXWPIZRQ-TVQRCGJNSA-N 0 0 284.306 2.798 20 10 CFCDRN C[C@@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccccc1O ZINC000868794255 638980350 /nfs/dbraw/zinc/98/03/50/638980350.db2.gz VKUBPZTZEZTTNM-ZJUUUORDSA-N 0 0 284.306 2.798 20 10 CFCDRN C[C@H](NC(=O)NCC[C@H]1CCCOC1)c1ccccc1O ZINC000868799182 638981035 /nfs/dbraw/zinc/98/10/35/638981035.db2.gz ILPASFCPUAFRTC-QWHCGFSZSA-N 0 0 292.379 2.569 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2Cc3ccccc3O2)c1 ZINC000869409569 639215218 /nfs/dbraw/zinc/21/52/18/639215218.db2.gz APSGSHQQUWXFKP-OAHLLOKOSA-N 0 0 297.354 2.711 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1 ZINC000869410906 639216862 /nfs/dbraw/zinc/21/68/62/639216862.db2.gz OKVOOXPEDIWSFP-SCUASFONSA-N 0 0 259.349 2.609 20 10 CFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)C(C)(C)C ZINC000869444374 639233789 /nfs/dbraw/zinc/23/37/89/639233789.db2.gz ZSQGNVHNNYGRNZ-BJPMOSCESA-N 0 0 292.331 2.658 20 10 CFCDRN CCC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000078360735 650493709 /nfs/dbraw/zinc/49/37/09/650493709.db2.gz VFZHPEIHCIOERF-NSHDSACASA-N 0 0 292.379 2.951 20 10 CFCDRN CCc1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC000122914531 639506758 /nfs/dbraw/zinc/50/67/58/639506758.db2.gz XAMDEIYCFLHSBB-UHFFFAOYSA-N 0 0 289.331 2.534 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CCF)CC1 ZINC000870277857 639576034 /nfs/dbraw/zinc/57/60/34/639576034.db2.gz ORNDVGUHRMYILN-DUXPYHPUSA-N 0 0 293.338 2.709 20 10 CFCDRN Cc1ccc(O)c(CN(CCO)c2ccccc2)c1 ZINC000191971200 650532174 /nfs/dbraw/zinc/53/21/74/650532174.db2.gz HPWRXZSEYLTOKU-UHFFFAOYSA-N 0 0 257.333 2.700 20 10 CFCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)ccc1O ZINC000192933836 650610480 /nfs/dbraw/zinc/61/04/80/650610480.db2.gz SEXAFKGCPLLXJX-INIZCTEOSA-N 0 0 298.342 2.987 20 10 CFCDRN CC(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)cc(=O)[nH]1 ZINC000871202595 641242234 /nfs/dbraw/zinc/24/22/34/641242234.db2.gz BXFLQMUNCRGASB-UHFFFAOYSA-N 0 0 298.342 2.772 20 10 CFCDRN C[C@@H]1CCCC[C@H]1OCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203080 641243012 /nfs/dbraw/zinc/24/30/12/641243012.db2.gz RNUXCGMCBDRJOS-MLGOLLRUSA-N 0 0 289.375 2.830 20 10 CFCDRN C[C@@H]1CC/C(=C/C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871202959 641243269 /nfs/dbraw/zinc/24/32/69/641243269.db2.gz IAKLHSLJJYMOMM-HQQGHWSLSA-N 0 0 257.333 2.981 20 10 CFCDRN CCC[C@@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000871205264 641244066 /nfs/dbraw/zinc/24/40/66/641244066.db2.gz XVEAECPWYZAFKV-TZMCWYRMSA-N 0 0 289.375 2.830 20 10 CFCDRN CCC1=C(C(=O)N2Cc3cccc(O)c3C2)CCCO1 ZINC000871204675 641244069 /nfs/dbraw/zinc/24/40/69/641244069.db2.gz OSTGJCFVEKYOSS-UHFFFAOYSA-N 0 0 273.332 2.709 20 10 CFCDRN CCc1nccn1[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871205772 641245097 /nfs/dbraw/zinc/24/50/97/641245097.db2.gz KWCWPCUSDXGJNM-GFCCVEGCSA-N 0 0 299.374 2.645 20 10 CFCDRN O=C(c1ccnn1CC1CCC1)N1Cc2cccc(O)c2C1 ZINC000871208133 641246514 /nfs/dbraw/zinc/24/65/14/641246514.db2.gz YUORGVGNGPCIHZ-UHFFFAOYSA-N 0 0 297.358 2.545 20 10 CFCDRN C/C=C(\C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000080261663 650656081 /nfs/dbraw/zinc/65/60/81/650656081.db2.gz AIZJYFRZQUVWTR-YIXHJXPBSA-N 0 0 288.391 2.746 20 10 CFCDRN CCn1nncc1CNc1ccccc1NC(C)C ZINC000871846380 641479119 /nfs/dbraw/zinc/47/91/19/641479119.db2.gz YSXPOMAEGHOVKL-UHFFFAOYSA-N 0 0 259.357 2.730 20 10 CFCDRN CCCOc1ccc(C[NH2+]CCSCC(=O)[O-])cc1C ZINC000871874249 641493266 /nfs/dbraw/zinc/49/32/66/641493266.db2.gz JHLJSLXFEDYGAT-UHFFFAOYSA-N 0 0 297.420 2.691 20 10 CFCDRN CCCOc1ccc(C[NH2+]C[C@@H](C)C(=O)[O-])cc1C ZINC000871878221 641495310 /nfs/dbraw/zinc/49/53/10/641495310.db2.gz GFYKCVLDFXPFKO-GFCCVEGCSA-N 0 0 265.353 2.594 20 10 CFCDRN CC[C@H]([NH2+]Cc1nonc1C)c1cccc(Cl)c1[O-] ZINC000872137751 641666492 /nfs/dbraw/zinc/66/64/92/641666492.db2.gz WEOHIXMPEIQADT-NSHDSACASA-N 0 0 281.743 2.978 20 10 CFCDRN [NH3+][C@@H]1CCCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873214441 642070723 /nfs/dbraw/zinc/07/07/23/642070723.db2.gz FUUZVHQTVRXSOQ-GFCCVEGCSA-N 0 0 286.778 2.888 20 10 CFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F ZINC000194107701 650718160 /nfs/dbraw/zinc/71/81/60/650718160.db2.gz VFFSBXMMRLPAKF-UHFFFAOYSA-N 0 0 281.308 2.641 20 10 CFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC12CCC2 ZINC000873259710 642104469 /nfs/dbraw/zinc/10/44/69/642104469.db2.gz KCJLDLCZHHYWMQ-OAHLLOKOSA-N 0 0 287.407 2.803 20 10 CFCDRN O=C(OC[C@H]1CC2(CCC2)CO1)C1=CC(=O)CS1 ZINC000873359124 642152100 /nfs/dbraw/zinc/15/21/00/642152100.db2.gz HQZZTYCNZVDJFE-SNVBAGLBSA-N 0 0 268.334 2.570 20 10 CFCDRN O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)C1=CC(=O)CS1 ZINC000873358632 642152349 /nfs/dbraw/zinc/15/23/49/642152349.db2.gz BBERNUBZAOAMBL-MIMYLULJSA-N 0 0 268.334 2.568 20 10 CFCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])CC1CCOCC1 ZINC000124598590 642271865 /nfs/dbraw/zinc/27/18/65/642271865.db2.gz PXNKZYNBCGTFBE-UHFFFAOYSA-N 0 0 269.772 2.904 20 10 CFCDRN C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000873726693 642290044 /nfs/dbraw/zinc/29/00/44/642290044.db2.gz AZKGIIVQDRQZEI-JTQLQIEISA-N 0 0 274.324 2.721 20 10 CFCDRN c1cncc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000020086074 642297130 /nfs/dbraw/zinc/29/71/30/642297130.db2.gz DWEROIFNKBYOJU-UHFFFAOYSA-N 0 0 269.348 2.530 20 10 CFCDRN O=C(NC1CC1)c1cccc(NCc2ccccc2O)c1 ZINC000020129574 642304209 /nfs/dbraw/zinc/30/42/09/642304209.db2.gz WBKRCGMCLILDDZ-UHFFFAOYSA-N 0 0 282.343 2.897 20 10 CFCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCCC2)cc1 ZINC000873984273 642315837 /nfs/dbraw/zinc/31/58/37/642315837.db2.gz NRETVSBJWGMGSY-UHFFFAOYSA-N 0 0 274.324 2.769 20 10 CFCDRN CN(C)c1ccc(/C=C/C[NH2+]CCCCC(=O)[O-])cc1 ZINC000874042188 642325153 /nfs/dbraw/zinc/32/51/53/642325153.db2.gz XPUVKLDZCUOJPU-AATRIKPKSA-N 0 0 276.380 2.610 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(Cl)cc1 ZINC000082284752 650741053 /nfs/dbraw/zinc/74/10/53/650741053.db2.gz HXLWCLFOIBSYRF-UHFFFAOYSA-N 0 0 261.708 2.976 20 10 CFCDRN CCN(CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000874460094 642392043 /nfs/dbraw/zinc/39/20/43/642392043.db2.gz SPQXIJSTZXXJMG-UHFFFAOYSA-N 0 0 274.324 2.721 20 10 CFCDRN C[C@]1(C(F)(F)F)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000874476394 642398039 /nfs/dbraw/zinc/39/80/39/642398039.db2.gz HCCOZWITILHNBC-JTQLQIEISA-N 0 0 279.283 2.868 20 10 CFCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccccc1 ZINC000874750234 642467321 /nfs/dbraw/zinc/46/73/21/642467321.db2.gz GAUQOUCHHGKNIF-OCCSQVGLSA-N 0 0 291.372 2.696 20 10 CFCDRN O=C(NC(C1CC1)C1CC1)N1Cc2cccc(O)c2C1 ZINC000875043617 642579544 /nfs/dbraw/zinc/57/95/44/642579544.db2.gz BABNANLYKVPJDR-UHFFFAOYSA-N 0 0 272.348 2.606 20 10 CFCDRN CO[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125335325 642598733 /nfs/dbraw/zinc/59/87/33/642598733.db2.gz SPDRDVJRIPVDCU-LBPRGKRZSA-N 0 0 289.331 2.549 20 10 CFCDRN O=C(N[C@H]1CCC(F)(F)C1)N1Cc2cccc(O)c2C1 ZINC000875387764 642617226 /nfs/dbraw/zinc/61/72/26/642617226.db2.gz CZHOJWJOIGFGTN-JTQLQIEISA-N 0 0 282.290 2.605 20 10 CFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000875423690 642620295 /nfs/dbraw/zinc/62/02/95/642620295.db2.gz PMMRNJRYPNBLQL-SNVBAGLBSA-N 0 0 260.337 2.606 20 10 CFCDRN CCc1cnccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875468198 642627720 /nfs/dbraw/zinc/62/77/20/642627720.db2.gz JECBLRHYYWXFPL-UHFFFAOYSA-N 0 0 297.358 2.575 20 10 CFCDRN C[C@H](NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1O ZINC000875543751 642640609 /nfs/dbraw/zinc/64/06/09/642640609.db2.gz PQAHNWALYKPYPC-PQFRYHKHSA-N 0 0 260.337 2.551 20 10 CFCDRN C[C@H]1CCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875557417 642642377 /nfs/dbraw/zinc/64/23/77/642642377.db2.gz SLZHOSKVLAHJIP-NWDGAFQWSA-N 0 0 274.364 2.854 20 10 CFCDRN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000086787134 650797632 /nfs/dbraw/zinc/79/76/32/650797632.db2.gz TZHGVEPDAHRPEU-UONOGXRCSA-N 0 0 277.364 2.737 20 10 CFCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000086784040 650797521 /nfs/dbraw/zinc/79/75/21/650797521.db2.gz RTPGHBCFTMGWFQ-KRWDZBQOSA-N 0 0 290.407 2.829 20 10 CFCDRN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(C)cc1O ZINC000876538367 642910897 /nfs/dbraw/zinc/91/08/97/642910897.db2.gz HMPIONFVBCUWJC-AWEZNQCLSA-N 0 0 277.364 2.618 20 10 CFCDRN [O-]c1c(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc(F)c1F ZINC000876570722 642928706 /nfs/dbraw/zinc/92/87/06/642928706.db2.gz MPSXEBVMKUIHNJ-JTQLQIEISA-N 0 0 283.318 2.671 20 10 CFCDRN COC(=O)CN(Cc1ccccc1)Cc1c(C)cccc1O ZINC000876606185 642942841 /nfs/dbraw/zinc/94/28/41/642942841.db2.gz XHYVCHNQXFPTPK-UHFFFAOYSA-N 0 0 299.370 2.876 20 10 CFCDRN CC1(C)[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC000876767723 643001939 /nfs/dbraw/zinc/00/19/39/643001939.db2.gz CLCOFHVLBFPKOV-AOOOYVTPSA-N 0 0 253.292 2.758 20 10 CFCDRN Cc1ccc(CNc2cccc([C@@H]3CNC(=O)C3)c2)c(O)c1 ZINC000876870447 643043927 /nfs/dbraw/zinc/04/39/27/643043927.db2.gz KTVIUUSPFAEBQC-HNNXBMFYSA-N 0 0 296.370 2.916 20 10 CFCDRN Cc1cccc(O)c1CNc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000876871477 643044331 /nfs/dbraw/zinc/04/43/31/643044331.db2.gz TURSRRDTQPGTFA-AWEZNQCLSA-N 0 0 296.370 2.916 20 10 CFCDRN O=C(Nc1ccccc1OC(F)F)c1cccc(O)c1O ZINC000126244196 643076652 /nfs/dbraw/zinc/07/66/52/643076652.db2.gz KXDDANNLJUEYCM-UHFFFAOYSA-N 0 0 295.241 2.952 20 10 CFCDRN Cc1cccc(O)c1CNc1ccc(N2CCOCC2)cn1 ZINC000876954171 643078574 /nfs/dbraw/zinc/07/85/74/643078574.db2.gz ILXZSWWTEPBVDG-UHFFFAOYSA-N 0 0 299.374 2.544 20 10 CFCDRN C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876964997 643084358 /nfs/dbraw/zinc/08/43/58/643084358.db2.gz XXHARRVFRBOFEY-NEPJUHHUSA-N 0 0 298.377 2.880 20 10 CFCDRN Cc1ccccc1CN(C)C(=O)c1cccc(O)c1O ZINC000126280174 643089607 /nfs/dbraw/zinc/08/96/07/643089607.db2.gz QKGMNMWTSQDBFT-UHFFFAOYSA-N 0 0 271.316 2.678 20 10 CFCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)C1(F)F ZINC000876992605 643096406 /nfs/dbraw/zinc/09/64/06/643096406.db2.gz WPQXMRWRIOMSBD-QWRGUYRKSA-N 0 0 282.334 2.561 20 10 CFCDRN Cc1noc(C)c1CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877011492 643103244 /nfs/dbraw/zinc/10/32/44/643103244.db2.gz DRPNXIUFRRHNAW-UHFFFAOYSA-N 0 0 282.290 2.608 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])[C@H]2CCO[C@H]21 ZINC000877058325 643125488 /nfs/dbraw/zinc/12/54/88/643125488.db2.gz AFVXDAOUOJKUJS-OWYVNGRQSA-N 0 0 283.318 2.574 20 10 CFCDRN CCC(CC)(CCO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877069221 643133117 /nfs/dbraw/zinc/13/31/17/643133117.db2.gz XWZACJFGOOREHK-UHFFFAOYSA-N 0 0 287.350 2.949 20 10 CFCDRN CN(C(=O)c1nc[nH]c1C(C)(C)C)c1ccc(N)cc1 ZINC000877074850 643137521 /nfs/dbraw/zinc/13/75/21/643137521.db2.gz UGLWOKZOTGJSKH-UHFFFAOYSA-N 0 0 272.352 2.566 20 10 CFCDRN CC(C)Oc1cccnc1C(=O)N(C)c1ccc(N)cc1 ZINC000877077341 643138516 /nfs/dbraw/zinc/13/85/16/643138516.db2.gz DSEMZYIFWJOECM-UHFFFAOYSA-N 0 0 285.347 2.728 20 10 CFCDRN CN(C(=O)C[C@@H]1OCCc2ccccc21)c1ccc(N)cc1 ZINC000877078656 643139165 /nfs/dbraw/zinc/13/91/65/643139165.db2.gz YHCMASMKOGCEEM-KRWDZBQOSA-N 0 0 296.370 2.936 20 10 CFCDRN C[C@H](CCc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000126351249 643155341 /nfs/dbraw/zinc/15/53/41/643155341.db2.gz YMDMBZYTKKUUJE-GFCCVEGCSA-N 0 0 285.343 2.849 20 10 CFCDRN COc1ncc(CN(C)c2ccc(OC)c(F)c2)s1 ZINC000877181910 643192254 /nfs/dbraw/zinc/19/22/54/643192254.db2.gz SSIFQNLGNHNSHK-UHFFFAOYSA-N 0 0 282.340 2.936 20 10 CFCDRN COc1ccc(N(C)C[C@@H](OC)C2CCOCC2)cc1F ZINC000877181821 643192492 /nfs/dbraw/zinc/19/24/92/643192492.db2.gz QNZIRLBPUOLWLX-MRXNPFEDSA-N 0 0 297.370 2.712 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]2CCC[C@H]21 ZINC000126454453 643231146 /nfs/dbraw/zinc/23/11/46/643231146.db2.gz FHWKVVJYHLPHLW-CMPLNLGQSA-N 0 0 261.321 2.503 20 10 CFCDRN CC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877438643 643272502 /nfs/dbraw/zinc/27/25/02/643272502.db2.gz MMOPKYJABLVZDU-OAHLLOKOSA-N 0 0 285.334 2.655 20 10 CFCDRN CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877479442 643295805 /nfs/dbraw/zinc/29/58/05/643295805.db2.gz CWQKDMTXJVXGDE-INIZCTEOSA-N 0 0 263.381 2.828 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](O)c1ccccc1 ZINC000877535706 643338358 /nfs/dbraw/zinc/33/83/58/643338358.db2.gz RKQXGIZIHLHBAS-BONVTDFDSA-N 0 0 293.313 2.882 20 10 CFCDRN [O-]c1c(C[NH2+]C[C@H]2COc3ccccc32)ccc(F)c1F ZINC000877537665 643341290 /nfs/dbraw/zinc/34/12/90/643341290.db2.gz OIQXZAXQKVKTEO-NSHDSACASA-N 0 0 291.297 2.936 20 10 CFCDRN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000877556866 643358766 /nfs/dbraw/zinc/35/87/66/643358766.db2.gz LGPJAOSYOGXIAA-HNNXBMFYSA-N 0 0 298.377 2.781 20 10 CFCDRN CS[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877563476 643362870 /nfs/dbraw/zinc/36/28/70/643362870.db2.gz OBFCLZVOZWKRLO-SECBINFHSA-N 0 0 259.321 2.608 20 10 CFCDRN Cc1cccc(O)c1CNc1cccc(CCO)c1 ZINC000877574147 643373013 /nfs/dbraw/zinc/37/30/13/643373013.db2.gz BKTQDJFLGUKXIP-UHFFFAOYSA-N 0 0 257.333 2.848 20 10 CFCDRN CC1(C)C[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000877578206 643375565 /nfs/dbraw/zinc/37/55/65/643375565.db2.gz YQGFKLMINUXGPM-SNVBAGLBSA-N 0 0 285.334 2.965 20 10 CFCDRN COc1ccc(N(C)Cc2cccn(C(F)F)c2=O)cc1 ZINC000877610425 643397245 /nfs/dbraw/zinc/39/72/45/643397245.db2.gz VJALMDULNQKFSA-UHFFFAOYSA-N 0 0 294.301 2.888 20 10 CFCDRN COCCc1ncc(CN(C)c2ccc(OC)cc2)s1 ZINC000877610002 643397378 /nfs/dbraw/zinc/39/73/78/643397378.db2.gz PSPJYJLYRZSBIU-UHFFFAOYSA-N 0 0 292.404 2.977 20 10 CFCDRN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877611335 643397984 /nfs/dbraw/zinc/39/79/84/643397984.db2.gz PCIQSMYITFXBHV-BXKDBHETSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@H](COCC1CC1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877613580 643399397 /nfs/dbraw/zinc/39/93/97/643399397.db2.gz MLSMLNOJASRFGI-VIFPVBQESA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(C[NH2+]CC[C@@H]2CCCOC2)ccc(F)c1F ZINC000877647715 643429920 /nfs/dbraw/zinc/42/99/20/643429920.db2.gz FQLNXASOJFUALI-JTQLQIEISA-N 0 0 271.307 2.577 20 10 CFCDRN CC(C)CC[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877653582 643433651 /nfs/dbraw/zinc/43/36/51/643433651.db2.gz NVZMDPFYFDESIG-LLVKDONJSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)O1 ZINC000877681813 643451508 /nfs/dbraw/zinc/45/15/08/643451508.db2.gz JQMKGEHOXUTIJZ-RWYTXXIDSA-N 0 0 273.735 2.840 20 10 CFCDRN COc1ccc(O)c(CNc2cnn3c2CCCC3)c1 ZINC000877692739 643457637 /nfs/dbraw/zinc/45/76/37/643457637.db2.gz QUOMFTJMJQCLOQ-UHFFFAOYSA-N 0 0 273.336 2.546 20 10 CFCDRN Oc1cccc2c1CN(Cc1ccc3c(n1)CCC3)C2 ZINC000877702758 643467054 /nfs/dbraw/zinc/46/70/54/643467054.db2.gz GPJNWTDTPHXZFX-UHFFFAOYSA-N 0 0 266.344 2.792 20 10 CFCDRN COc1ccc(CN2Cc3cccc(O)c3C2)c(OC)c1 ZINC000877703341 643468598 /nfs/dbraw/zinc/46/85/98/643468598.db2.gz CEZXNISJGHMHDG-UHFFFAOYSA-N 0 0 285.343 2.925 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@H]21 ZINC000877741044 643510293 /nfs/dbraw/zinc/51/02/93/643510293.db2.gz MGEHJIJPRHYAHV-ZWNOBZJWSA-N 0 0 298.789 2.711 20 10 CFCDRN C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000877743548 643518754 /nfs/dbraw/zinc/51/87/54/643518754.db2.gz WQUUSTLDUYWTRA-IINYFYTJSA-N 0 0 298.789 2.711 20 10 CFCDRN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000877743552 643519547 /nfs/dbraw/zinc/51/95/47/643519547.db2.gz WQUUSTLDUYWTRA-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccnn1C ZINC000877763088 643543129 /nfs/dbraw/zinc/54/31/29/643543129.db2.gz OVOWFFYPDKVZEK-VIFPVBQESA-N 0 0 265.744 2.630 20 10 CFCDRN Cc1ccc2c(c1)C(=O)N[C@H](c1cc(F)ccc1O)N2 ZINC000877861061 643610447 /nfs/dbraw/zinc/61/04/47/643610447.db2.gz FLBAYSOQAVKFHX-CQSZACIVSA-N 0 0 272.279 2.694 20 10 CFCDRN Cc1nnc(CCOc2ccc(N3CCCC3)cc2)o1 ZINC000877879160 643618358 /nfs/dbraw/zinc/61/83/58/643618358.db2.gz REGICSAIKSVYCM-UHFFFAOYSA-N 0 0 273.336 2.600 20 10 CFCDRN Cc1coc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000877978321 643676294 /nfs/dbraw/zinc/67/62/94/643676294.db2.gz KMEHEXLNZKXDMI-UHFFFAOYSA-N 0 0 258.321 2.584 20 10 CFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000878277291 643818246 /nfs/dbraw/zinc/81/82/46/643818246.db2.gz QUECGXVGCBUINJ-AWEZNQCLSA-N 0 0 291.391 2.946 20 10 CFCDRN COc1ccc(N(C)C[C@H]2CCO[C@H]2C)c(OC)c1 ZINC000878295220 643826084 /nfs/dbraw/zinc/82/60/84/643826084.db2.gz XDHIJKVQYPIXFW-NWDGAFQWSA-N 0 0 265.353 2.565 20 10 CFCDRN CN(Cc1nccn1CC(F)F)c1ccc2c(c1)OCO2 ZINC000878301762 643830332 /nfs/dbraw/zinc/83/03/32/643830332.db2.gz AOJOMGPKBZGOSV-UHFFFAOYSA-N 0 0 295.289 2.513 20 10 CFCDRN COc1cc2c(c(OC)c1)N(Cc1nocc1C)CCC2 ZINC000878711597 644002481 /nfs/dbraw/zinc/00/24/81/644002481.db2.gz RLEDQXFGLABBNE-UHFFFAOYSA-N 0 0 288.347 2.953 20 10 CFCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1ccccc1C ZINC000127323313 644024113 /nfs/dbraw/zinc/02/41/13/644024113.db2.gz QFZKSKPAWIWHQO-ZDUSSCGKSA-N 0 0 286.375 2.513 20 10 CFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1 ZINC000210037181 644257672 /nfs/dbraw/zinc/25/76/72/644257672.db2.gz WWYUUQYLTXYLBK-CLFYSBASSA-N 0 0 255.273 2.750 20 10 CFCDRN CCOc1ccc(O)c(CNc2ccc(C(N)=O)cc2)c1 ZINC000127813120 644302967 /nfs/dbraw/zinc/30/29/67/644302967.db2.gz VPGNDFCDCBXTAR-UHFFFAOYSA-N 0 0 286.331 2.502 20 10 CFCDRN CCCc1nc(CN[C@H](C)c2ccccc2O)no1 ZINC000879649152 644362951 /nfs/dbraw/zinc/36/29/51/644362951.db2.gz MVCARTZSFKXDGX-SNVBAGLBSA-N 0 0 261.325 2.579 20 10 CFCDRN C[C@H](NCc1nnc(C2CC2)s1)c1ccccc1O ZINC000879650374 644364582 /nfs/dbraw/zinc/36/45/82/644364582.db2.gz XJNJYBFOKKIGPF-VIFPVBQESA-N 0 0 275.377 2.972 20 10 CFCDRN CCCc1nc(CN[C@@H](C)c2ccccc2O)no1 ZINC000879651850 644364866 /nfs/dbraw/zinc/36/48/66/644364866.db2.gz MVCARTZSFKXDGX-JTQLQIEISA-N 0 0 261.325 2.579 20 10 CFCDRN COC[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000023722383 644536424 /nfs/dbraw/zinc/53/64/24/644536424.db2.gz ZNWYJRABGAAKEH-GFCCVEGCSA-N 0 0 286.375 2.859 20 10 CFCDRN C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCOC1 ZINC000093839924 650947595 /nfs/dbraw/zinc/94/75/95/650947595.db2.gz RGRDDYLZWWQTIB-SNVBAGLBSA-N 0 0 255.745 2.514 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)c1 ZINC000880837282 644846618 /nfs/dbraw/zinc/84/66/18/644846618.db2.gz KYBWUMSKOKPLHA-JSGCOSHPSA-N 0 0 259.349 2.753 20 10 CFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000881280765 644942872 /nfs/dbraw/zinc/94/28/72/644942872.db2.gz RSMWJKPOQHNFOW-VHSXEESVSA-N 0 0 285.338 2.766 20 10 CFCDRN C/C=C/c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377926 644963993 /nfs/dbraw/zinc/96/39/93/644963993.db2.gz YQOIERWCWXUEHY-AATRIKPKSA-N 0 0 256.353 2.734 20 10 CFCDRN CC1(C)CC[C@@H](CC(=O)N2Cc3cccc(O)c3C2)OC1 ZINC000881429194 644972257 /nfs/dbraw/zinc/97/22/57/644972257.db2.gz SZXCWPCOBLONQY-ZDUSSCGKSA-N 0 0 289.375 2.830 20 10 CFCDRN C[C@@H](NC(=O)c1cnc(C2CC2)o1)c1ccccc1O ZINC000881440718 644975355 /nfs/dbraw/zinc/97/53/55/644975355.db2.gz MTISFXNFBNJIHM-SECBINFHSA-N 0 0 272.304 2.749 20 10 CFCDRN CC(C)(CNC(=O)c1c(F)ccc(O)c1O)CC(F)F ZINC000881539024 645031017 /nfs/dbraw/zinc/03/10/17/645031017.db2.gz IDHFFDUTWZONCO-UHFFFAOYSA-N 0 0 291.269 2.648 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)C2)cc1 ZINC000024831052 645125979 /nfs/dbraw/zinc/12/59/79/645125979.db2.gz NPYXZLYKVDRFAL-OAHLLOKOSA-N 0 0 298.386 2.955 20 10 CFCDRN C[C@@H](Nc1cc(CO)ccn1)c1ccc(N(C)C)cc1 ZINC000882203588 645242777 /nfs/dbraw/zinc/24/27/77/645242777.db2.gz SZCXUTFRQCDCEK-GFCCVEGCSA-N 0 0 271.364 2.813 20 10 CFCDRN COC1CCC(CC(=O)N(C)Cc2ccccc2O)CC1 ZINC000129610303 645294633 /nfs/dbraw/zinc/29/46/33/645294633.db2.gz UMIXWBHULCKMJN-UHFFFAOYSA-N 0 0 291.391 2.946 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000882883663 645491080 /nfs/dbraw/zinc/49/10/80/645491080.db2.gz HOLCLMJYYTYGRC-CYBMUJFWSA-N 0 0 291.297 2.764 20 10 CFCDRN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882979451 645539025 /nfs/dbraw/zinc/53/90/25/645539025.db2.gz AGLCJCDTQWLBID-SNVBAGLBSA-N 0 0 295.333 2.601 20 10 CFCDRN Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882993900 645550812 /nfs/dbraw/zinc/55/08/12/645550812.db2.gz LAILVWAYTOSKQH-OAHLLOKOSA-N 0 0 293.313 2.802 20 10 CFCDRN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883026172 645568647 /nfs/dbraw/zinc/56/86/47/645568647.db2.gz KUZCIJXUCJKONA-JOYOIKCWSA-N 0 0 273.323 2.557 20 10 CFCDRN C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO[C@@H]1C1CC1 ZINC000883089476 645600287 /nfs/dbraw/zinc/60/02/87/645600287.db2.gz LANPAHIAYVOTOI-HZPDHXFCSA-N 0 0 297.345 2.965 20 10 CFCDRN CCOC(CC[NH2+]Cc1cc(F)cc(F)c1[O-])OCC ZINC000883100603 645604171 /nfs/dbraw/zinc/60/41/71/645604171.db2.gz CXYYNVXHOWLZQQ-UHFFFAOYSA-N 0 0 289.322 2.549 20 10 CFCDRN CCOC1CC(CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883100698 645604975 /nfs/dbraw/zinc/60/49/75/645604975.db2.gz HOZZKOJSORFUDJ-UHFFFAOYSA-N 0 0 285.334 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000883105143 645606812 /nfs/dbraw/zinc/60/68/12/645606812.db2.gz ZCCDRYAYRHQTQW-AWEZNQCLSA-N 0 0 296.361 2.777 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)N2CCCCCC2)c1 ZINC000883118989 645610952 /nfs/dbraw/zinc/61/09/52/645610952.db2.gz LSJJWFWMEHBVDP-UHFFFAOYSA-N 0 0 262.353 2.786 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000883135093 645620027 /nfs/dbraw/zinc/62/00/27/645620027.db2.gz UKOFFZRETAIQLR-UHFFFAOYSA-N 0 0 289.297 2.526 20 10 CFCDRN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883157832 645631756 /nfs/dbraw/zinc/63/17/56/645631756.db2.gz MARXVFBKZZORSX-TVQRCGJNSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000883161941 645632459 /nfs/dbraw/zinc/63/24/59/645632459.db2.gz FZMHPJUOPATEIJ-GJZGRUSLSA-N 0 0 296.361 2.777 20 10 CFCDRN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000883272470 645714520 /nfs/dbraw/zinc/71/45/20/645714520.db2.gz NEFPRBXYSOWCKE-FXPVBKGRSA-N 0 0 271.307 2.746 20 10 CFCDRN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000883319640 645737350 /nfs/dbraw/zinc/73/73/50/645737350.db2.gz KGBYTHHEJLVJLE-KKZNHRDASA-N 0 0 271.307 2.746 20 10 CFCDRN CSCCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000132655775 645947461 /nfs/dbraw/zinc/94/74/61/645947461.db2.gz OYCXDJUFOCKJHG-UHFFFAOYSA-N 0 0 295.452 2.613 20 10 CFCDRN COc1cccc(CNC(=O)NC[C@]2(C)CC2(C)C)c1O ZINC000883891049 646024809 /nfs/dbraw/zinc/02/48/09/646024809.db2.gz QHVDQACOPVKGNW-INIZCTEOSA-N 0 0 292.379 2.636 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(C2CCC2)c1 ZINC000889058447 646068017 /nfs/dbraw/zinc/06/80/17/646068017.db2.gz PBWCFDPYNNOCEJ-FNORWQNLSA-N 0 0 299.330 2.671 20 10 CFCDRN Cc1cc(C)c(CC(=O)NCCc2ccc(N)cc2)s1 ZINC000884028542 646119484 /nfs/dbraw/zinc/11/94/84/646119484.db2.gz JSHUHMCPQCUMLA-UHFFFAOYSA-N 0 0 288.416 2.849 20 10 CFCDRN Cc1ccc(CCC(=O)NCc2ccccc2O)cc1 ZINC000133765323 646226117 /nfs/dbraw/zinc/22/61/17/646226117.db2.gz AKYICETVOXTHLS-UHFFFAOYSA-N 0 0 269.344 2.950 20 10 CFCDRN O=C(NCc1ccccc1O)c1ccc(Cl)cc1O ZINC000133796401 646229467 /nfs/dbraw/zinc/22/94/67/646229467.db2.gz FVIMHVUHXDABKN-UHFFFAOYSA-N 0 0 277.707 2.681 20 10 CFCDRN CN(CC[NH+]1CCCC1)Cc1c(O)cccc1Cl ZINC000133911330 646254129 /nfs/dbraw/zinc/25/41/29/646254129.db2.gz UDKHQTFAPQHLKX-UHFFFAOYSA-N 0 0 268.788 2.573 20 10 CFCDRN C[C@@H](NC(=O)N(C)CCCF)c1ccc(N(C)C)cc1 ZINC000884276263 646287521 /nfs/dbraw/zinc/28/75/21/646287521.db2.gz KLNIBTIRCXPEOX-GFCCVEGCSA-N 0 0 281.375 2.815 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222432 646640774 /nfs/dbraw/zinc/64/07/74/646640774.db2.gz BQWOVFHNGGHFIR-TZMCWYRMSA-N 0 0 287.359 2.749 20 10 CFCDRN CCn1cc(CN(C)c2ccc(OC)c(Cl)c2)nn1 ZINC000885538804 646704324 /nfs/dbraw/zinc/70/43/24/646704324.db2.gz NFNVKSCOFDPQKD-UHFFFAOYSA-N 0 0 280.759 2.596 20 10 CFCDRN CCOc1ccc(N(CC)Cc2cn(CC)nn2)cc1 ZINC000886285798 646953356 /nfs/dbraw/zinc/95/33/56/646953356.db2.gz SJPXHYFFOYOWOT-UHFFFAOYSA-N 0 0 274.368 2.723 20 10 CFCDRN C[C@H]([NH2+]Cc1ccccc1CO)c1c([O-])cccc1F ZINC000886511314 647024112 /nfs/dbraw/zinc/02/41/12/647024112.db2.gz POGMECXBOXZHNL-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1c([O-])cccc1F ZINC000886530831 647031603 /nfs/dbraw/zinc/03/16/03/647031603.db2.gz RFXWXEUHRSVTOJ-GARJFASQSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886530972 647031858 /nfs/dbraw/zinc/03/18/58/647031858.db2.gz UONTUNBTNKEWEZ-CHWSQXEVSA-N 0 0 297.370 2.625 20 10 CFCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)C[C@H](C)O ZINC000886530833 647031993 /nfs/dbraw/zinc/03/19/93/647031993.db2.gz RFXWXEUHRSVTOJ-VWYCJHECSA-N 0 0 255.333 2.589 20 10 CFCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1c([O-])cccc1F ZINC000886531084 647032287 /nfs/dbraw/zinc/03/22/87/647032287.db2.gz WJHKUPMYWQHZMA-RZCHIYRCSA-N 0 0 279.355 2.995 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1c([O-])cccc1F ZINC000886540494 647037957 /nfs/dbraw/zinc/03/79/57/647037957.db2.gz FXEZIMQZTWMEQQ-WDEREUQCSA-N 0 0 267.344 2.997 20 10 CFCDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1c([O-])cccc1F ZINC000886551632 647043770 /nfs/dbraw/zinc/04/37/70/647043770.db2.gz LFOJINDMZOVQPM-NSHDSACASA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1c([O-])cccc1F ZINC000886596909 647060136 /nfs/dbraw/zinc/06/01/36/647060136.db2.gz RMITTZDXNYGKIB-MNOVXSKESA-N 0 0 251.301 2.875 20 10 CFCDRN C[C@@H]([NH2+]CCOC(F)(F)F)c1c([O-])cccc1F ZINC000886598534 647061626 /nfs/dbraw/zinc/06/16/26/647061626.db2.gz COXRJWPXMCWKQZ-SSDOTTSWSA-N 0 0 267.222 2.718 20 10 CFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1c([O-])cccc1F ZINC000886600860 647062323 /nfs/dbraw/zinc/06/23/23/647062323.db2.gz CZWSCZNMCBTMNE-JFGNBEQYSA-N 0 0 253.317 2.607 20 10 CFCDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886603493 647063654 /nfs/dbraw/zinc/06/36/54/647063654.db2.gz PDVPPQGWZIUSJR-UWVGGRQHSA-N 0 0 255.358 2.935 20 10 CFCDRN Cc1nnsc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886613731 647068153 /nfs/dbraw/zinc/06/81/53/647068153.db2.gz CXFWHJLZRONGCQ-QMMMGPOBSA-N 0 0 267.329 2.542 20 10 CFCDRN C[C@@H](CCCO)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886617799 647070499 /nfs/dbraw/zinc/07/04/99/647070499.db2.gz YXPZQMQKAIRHDN-QWRGUYRKSA-N 0 0 255.333 2.591 20 10 CFCDRN Cc1cnc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886623539 647073291 /nfs/dbraw/zinc/07/32/91/647073291.db2.gz GMSZPPDYAVLWCY-NSHDSACASA-N 0 0 275.327 2.523 20 10 CFCDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886622388 647073478 /nfs/dbraw/zinc/07/34/78/647073478.db2.gz RSWSYPADNPXIAT-NEPJUHHUSA-N 0 0 267.344 2.999 20 10 CFCDRN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1c([O-])cccc1F ZINC000886626716 647075207 /nfs/dbraw/zinc/07/52/07/647075207.db2.gz JKNFIZMQNFNVNE-SRVKXCTJSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1c([O-])cccc1F ZINC000886629374 647077429 /nfs/dbraw/zinc/07/74/29/647077429.db2.gz CFERALRLGYOUET-NSHDSACASA-N 0 0 275.323 2.874 20 10 CFCDRN C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1c([O-])cccc1F ZINC000886636012 647079331 /nfs/dbraw/zinc/07/93/31/647079331.db2.gz DRECXDVMLRFAQJ-LDYMZIIASA-N 0 0 275.270 2.606 20 10 CFCDRN COC(C)(C)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886646151 647082973 /nfs/dbraw/zinc/08/29/73/647082973.db2.gz AQAITYVHLKCBJV-SNVBAGLBSA-N 0 0 255.333 2.997 20 10 CFCDRN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886650035 647088716 /nfs/dbraw/zinc/08/87/16/647088716.db2.gz NWBGHBICPLKBCY-HBNTYKKESA-N 0 0 255.333 2.731 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1C1CCCC1 ZINC000889404798 647562499 /nfs/dbraw/zinc/56/24/99/647562499.db2.gz BOVZYIFJSKCOEJ-LBPRGKRZSA-N 0 0 261.321 2.503 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000890461300 647805231 /nfs/dbraw/zinc/80/52/31/647805231.db2.gz AHEREXKQNNFJCG-ZZVYKPCYSA-N 0 0 286.375 2.710 20 10 CFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890469114 647807243 /nfs/dbraw/zinc/80/72/43/647807243.db2.gz OBBPFDVSVHSLBB-RZFFKMDDSA-N 0 0 288.391 2.826 20 10 CFCDRN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2C)on1 ZINC000925079933 648101558 /nfs/dbraw/zinc/10/15/58/648101558.db2.gz JJHIAUFVODGBQV-LBPRGKRZSA-N 0 0 289.379 2.908 20 10 CFCDRN Cc1ccc(O)c(CNC(=O)NCc2ncc(C)cc2C)c1 ZINC000926765497 648607084 /nfs/dbraw/zinc/60/70/84/648607084.db2.gz WOCPFDIRZKZEHQ-UHFFFAOYSA-N 0 0 299.374 2.712 20 10 CFCDRN COC[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000927600092 648804514 /nfs/dbraw/zinc/80/45/14/648804514.db2.gz NYNGKDVPMNVTFW-QWHCGFSZSA-N 0 0 294.395 2.671 20 10 CFCDRN C[C@]1(C(=O)NCc2ccc(N)cc2)CCOc2ccccc21 ZINC000927768405 648829289 /nfs/dbraw/zinc/82/92/89/648829289.db2.gz PTJFEFOKXCOBJP-SFHVURJKSA-N 0 0 296.370 2.625 20 10 CFCDRN CC(C)(C(=O)NCc1c(O)cccc1F)C(C)(F)F ZINC000928705053 648943954 /nfs/dbraw/zinc/94/39/54/648943954.db2.gz CWCGKXUOAJDIQN-UHFFFAOYSA-N 0 0 275.270 2.829 20 10 CFCDRN O=C(NCc1c(O)cccc1F)C1CCC(F)(F)CC1 ZINC000928705207 648944172 /nfs/dbraw/zinc/94/41/72/648944172.db2.gz HLRWBYBURKTQGG-UHFFFAOYSA-N 0 0 287.281 2.973 20 10 CFCDRN C[C@@H]1CC/C(=C\C(=O)NCc2c(O)cccc2F)C1 ZINC000928705497 648944692 /nfs/dbraw/zinc/94/46/92/648944692.db2.gz KPVDPLXTZWQIKK-MXBGMFSPSA-N 0 0 263.312 2.894 20 10 CFCDRN CC(=O)[C@@H](C)CCCCC(=O)NCc1c(O)cccc1F ZINC000928706141 648944896 /nfs/dbraw/zinc/94/48/96/648944896.db2.gz RSSXLPGRUKPGQM-NSHDSACASA-N 0 0 295.354 2.933 20 10 CFCDRN CC1(/C=C/C(=O)NCc2c(O)cccc2F)CCOCC1 ZINC000928705585 648944930 /nfs/dbraw/zinc/94/49/30/648944930.db2.gz KCYHODRZQBRBRP-AATRIKPKSA-N 0 0 293.338 2.520 20 10 CFCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928706815 648945341 /nfs/dbraw/zinc/94/53/41/648945341.db2.gz VNGPVFYGWLYHKM-GHMZBOCLSA-N 0 0 265.328 2.830 20 10 CFCDRN O=C(C=C1CCSCC1)NCc1c(O)cccc1F ZINC000928708505 648945951 /nfs/dbraw/zinc/94/59/51/648945951.db2.gz NDZXQUYDKGYWEZ-UHFFFAOYSA-N 0 0 281.352 2.601 20 10 CFCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC000928708569 648946108 /nfs/dbraw/zinc/94/61/08/648946108.db2.gz PNUYDSUNWKFQKG-NXEZZACHSA-N 0 0 253.317 2.830 20 10 CFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(O)CC)cc1 ZINC000929536978 649068433 /nfs/dbraw/zinc/06/84/33/649068433.db2.gz GYAXLNPYLZGGOK-QGZVFWFLSA-N 0 0 292.423 2.652 20 10 CFCDRN CCCN(Cc1nnc(OC)s1)Cc1ccccc1O ZINC000929753507 649111996 /nfs/dbraw/zinc/11/19/96/649111996.db2.gz RALPZTZNHXUQTQ-UHFFFAOYSA-N 0 0 293.392 2.665 20 10 CFCDRN CCN(CCCCCNC(C)=O)c1ccc(OC)cc1 ZINC000929904748 649147344 /nfs/dbraw/zinc/14/73/44/649147344.db2.gz PLYMDQFBZCVWTA-UHFFFAOYSA-N 0 0 278.396 2.828 20 10 CFCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 ZINC000929913461 649149220 /nfs/dbraw/zinc/14/92/20/649149220.db2.gz MGAYHUJASJUDIX-RRQGHBQHSA-N 0 0 291.391 2.716 20 10 CFCDRN CCOc1ccc(N(CC)C[C@H]2CCC3(COC3)O2)cc1 ZINC000929913657 649149226 /nfs/dbraw/zinc/14/92/26/649149226.db2.gz PINWMYFKYLCMLH-MRXNPFEDSA-N 0 0 291.391 2.860 20 10 CFCDRN COC[C@H](C[N@H+](C)Cc1ccccc1O)C(C)C ZINC000929975004 649158533 /nfs/dbraw/zinc/15/85/33/649158533.db2.gz CROUKRZSLZDRPD-AWEZNQCLSA-N 0 0 251.370 2.743 20 10 CFCDRN O=Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000930206207 649206594 /nfs/dbraw/zinc/20/65/94/649206594.db2.gz SFSHVAPHOXZZLI-UHFFFAOYSA-N 0 0 298.342 2.622 20 10 CFCDRN COc1ccc(N(C)Cc2cc(C)nnc2C)cc1 ZINC000930841002 649334393 /nfs/dbraw/zinc/33/43/93/649334393.db2.gz HGHCFNIOURJVLN-UHFFFAOYSA-N 0 0 257.337 2.738 20 10 CFCDRN 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C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074164 777787644 /nfs/dbraw/zinc/78/76/44/777787644.db2.gz JBNLHTAIQOWYLV-WPRPVWTQSA-N 0 0 259.271 2.850 20 10 CFCDRN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@@H](F)C2)c1 ZINC001233286256 777868132 /nfs/dbraw/zinc/86/81/32/777868132.db2.gz MJALRNOZAXKIDV-ZDUSSCGKSA-N 0 0 279.355 2.803 20 10 CFCDRN COc1cc(Cl)cc(CN2CCCC[C@@H]2C(C)=O)c1O ZINC001233290748 777869529 /nfs/dbraw/zinc/86/95/29/777869529.db2.gz UAPHMHFAUZZEPA-CYBMUJFWSA-N 0 0 297.782 2.998 20 10 CFCDRN CN(Cc1c(O)ccc(F)c1F)CC(F)(F)F ZINC001233332122 777889044 /nfs/dbraw/zinc/88/90/44/777889044.db2.gz ZMCSUFUKTBGMBP-UHFFFAOYSA-N 0 0 255.186 2.665 20 10 CFCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001233331852 777890475 /nfs/dbraw/zinc/89/04/75/777890475.db2.gz NIBAICPPZHYBLF-IINYFYTJSA-N 0 0 283.318 2.671 20 10 CFCDRN COCC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332127 777891157 /nfs/dbraw/zinc/89/11/57/777891157.db2.gz ZQPSTEYUXXKMOK-UHFFFAOYSA-N 0 0 271.307 2.529 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ZEMALJJVGZEWDX-WRWORJQWSA-N 0 0 278.179 2.948 20 10 CFCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[C@H](C)C1 ZINC001234474727 778234021 /nfs/dbraw/zinc/23/40/21/778234021.db2.gz WOIUYFKCQAHHHN-WPRPVWTQSA-N 0 0 250.294 2.868 20 10 CFCDRN [O-]c1c(F)ccc(F)c1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235167953 778401111 /nfs/dbraw/zinc/40/11/11/778401111.db2.gz PANABEZSYRCXPC-MRXNPFEDSA-N 0 0 296.361 2.779 20 10 CFCDRN COc1ccc(N(C)C[C@@H]2CC(C)(C)CO2)c(OC)c1 ZINC001168317575 778427984 /nfs/dbraw/zinc/42/79/84/778427984.db2.gz RCTHNQXSKMNPTI-ZDUSSCGKSA-N 0 0 279.380 2.955 20 10 CFCDRN CC(C)(C)c1ccc(CN2CC(F)(F)C[C@H]2CO)c(O)c1 ZINC001235674880 778532509 /nfs/dbraw/zinc/53/25/09/778532509.db2.gz HQPLLEJYODHNAI-ZDUSSCGKSA-N 0 0 299.361 2.892 20 10 CFCDRN CN1CCC[C@H]1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000160248145 778597973 /nfs/dbraw/zinc/59/79/73/778597973.db2.gz LFMYBUPMQHCJGO-LBPRGKRZSA-N 0 0 268.788 2.572 20 10 CFCDRN CCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000031726760 778705874 /nfs/dbraw/zinc/70/58/74/778705874.db2.gz FKKMGIXVRNOJIY-LBPRGKRZSA-N 0 0 263.385 2.740 20 10 CFCDRN CN(Cc1cc(Cl)cc(F)c1[O-])[C@]1(C)CCC[NH2+]C1 ZINC001236204897 778733774 /nfs/dbraw/zinc/73/37/74/778733774.db2.gz CRJWXZKDRZOQBH-CQSZACIVSA-N 0 0 286.778 2.759 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241974 778751579 /nfs/dbraw/zinc/75/15/79/778751579.db2.gz UQHQUOZMLIQCLK-CYBMUJFWSA-N 0 0 298.789 2.901 20 10 CFCDRN O=C(NCc1ccccc1O)[C@H]1CCCC2(CC2)C1 ZINC000695987843 778812689 /nfs/dbraw/zinc/81/26/89/778812689.db2.gz BZEBODBVGYUWRE-LBPRGKRZSA-N 0 0 259.349 2.979 20 10 CFCDRN Cn1ccc2c1nccc2-c1cnn(Cc2ccccn2)c1 ZINC001236437672 778829547 /nfs/dbraw/zinc/82/95/47/778829547.db2.gz VEXJJMJURFVYIG-UHFFFAOYSA-N 0 0 289.342 2.880 20 10 CFCDRN COc1nc(C(C)C)ccc1-c1ccn(C)c(=O)c1 ZINC001236442621 778830627 /nfs/dbraw/zinc/83/06/27/778830627.db2.gz HJLIEEBLKIFHDZ-UHFFFAOYSA-N 0 0 258.321 2.579 20 10 CFCDRN C[C@H]1COCCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000046477893 778838397 /nfs/dbraw/zinc/83/83/97/778838397.db2.gz YFUGBAUCTIKCQM-NSHDSACASA-N 0 0 279.380 2.616 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)c(O)c1 ZINC001236791756 778936717 /nfs/dbraw/zinc/93/67/17/778936717.db2.gz KEGOTZSZFPJCPM-AWEZNQCLSA-N 0 0 287.363 2.636 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1 ZINC001236791382 778937450 /nfs/dbraw/zinc/93/74/50/778937450.db2.gz HAQOBBSBSFUWHC-QGZVFWFLSA-N 0 0 275.392 2.957 20 10 CFCDRN CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)CC2)c(O)c1 ZINC001236789558 778937467 /nfs/dbraw/zinc/93/74/67/778937467.db2.gz YBPPMMKSORSIMR-CQSZACIVSA-N 0 0 291.391 2.730 20 10 CFCDRN CCc1ccc(C[N@H+](CCOC)C(C)C)c(O)c1 ZINC001236789798 778937791 /nfs/dbraw/zinc/93/77/91/778937791.db2.gz RPSWISXMTACKEH-UHFFFAOYSA-N 0 0 251.370 2.811 20 10 CFCDRN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001236792822 778938684 /nfs/dbraw/zinc/93/86/84/778938684.db2.gz RUIIFCPSLBYQKD-GDBMZVCRSA-N 0 0 261.365 2.565 20 10 CFCDRN CCc1ccc(CN2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC001236792985 778939441 /nfs/dbraw/zinc/93/94/41/778939441.db2.gz UUJLKERHIIHFGJ-UHFFFAOYSA-N 0 0 274.408 2.625 20 10 CFCDRN CC1(CO)CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236794947 778940586 /nfs/dbraw/zinc/94/05/86/778940586.db2.gz XIKLQABTKVZLTO-UHFFFAOYSA-N 0 0 276.163 2.513 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c([O-])c1Cl ZINC001236804375 778944573 /nfs/dbraw/zinc/94/45/73/778944573.db2.gz YNBYLVUXTRHYOA-SCZZXKLOSA-N 0 0 273.735 2.844 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1Cl ZINC001236802063 778944531 /nfs/dbraw/zinc/94/45/31/778944531.db2.gz NQNVQDVTNBMYDU-CMPLNLGQSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1Cl ZINC001236803605 778945084 /nfs/dbraw/zinc/94/50/84/778945084.db2.gz VQGPMMXEWOREIU-MEBBXXQBSA-N 0 0 299.798 2.647 20 10 CFCDRN COC[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236804191 778945255 /nfs/dbraw/zinc/94/52/55/778945255.db2.gz XHBDBVRXAHJNSN-SNVBAGLBSA-N 0 0 285.771 2.523 20 10 CFCDRN COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1Cl ZINC001236801993 778945540 /nfs/dbraw/zinc/94/55/40/778945540.db2.gz MIICDLCVQCKSIS-JQWIXIFHSA-N 0 0 299.798 2.647 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(Cl)c1 ZINC001236807515 778946349 /nfs/dbraw/zinc/94/63/49/778946349.db2.gz HEWWVMCIQWPHCD-AWEZNQCLSA-N 0 0 299.798 2.790 20 10 CFCDRN CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806530 778947124 /nfs/dbraw/zinc/94/71/24/778947124.db2.gz BALVDKUUIYMZTO-LLVKDONJSA-N 0 0 285.771 2.665 20 10 CFCDRN COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1Cl ZINC001236805845 778947215 /nfs/dbraw/zinc/94/72/15/778947215.db2.gz FTXYNEIYOLEBTE-PWSUYJOCSA-N 0 0 297.782 2.665 20 10 CFCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(Cl)c1 ZINC001236809048 778949393 /nfs/dbraw/zinc/94/93/93/778949393.db2.gz SMFWYHQRKDIMKR-BONVTDFDSA-N 0 0 297.782 2.665 20 10 CFCDRN COc1cc(C)c(CN2Cc3ncsc3C2)c(O)c1 ZINC001236821583 778953393 /nfs/dbraw/zinc/95/33/93/778953393.db2.gz RGMSPGWCHKNKCZ-UHFFFAOYSA-N 0 0 276.361 2.682 20 10 CFCDRN Oc1cc2ccccc2cc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001236827540 778956817 /nfs/dbraw/zinc/95/68/17/778956817.db2.gz UYUCORUMYQTNNI-HZPDHXFCSA-N 0 0 289.350 2.840 20 10 CFCDRN O=C1CCCN(Cc2cc3ccccc3cc2O)C1 ZINC001236831490 778957964 /nfs/dbraw/zinc/95/79/64/778957964.db2.gz HUOPNYDMXQZYST-UHFFFAOYSA-N 0 0 255.317 2.710 20 10 CFCDRN CCOc1ccc(CN(C)CC(F)(F)F)c(O)c1 ZINC001237043585 778996167 /nfs/dbraw/zinc/99/61/67/778996167.db2.gz IMBWPJKQECYTTP-UHFFFAOYSA-N 0 0 263.259 2.785 20 10 CFCDRN CCOc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001237050104 779000117 /nfs/dbraw/zinc/00/01/17/779000117.db2.gz PGSCUFVFMLLHRM-GFCCVEGCSA-N 0 0 277.364 2.592 20 10 CFCDRN COC[C@@H]1CCN1Cc1c(O)ccc(Cl)c1Cl ZINC001237085891 779008700 /nfs/dbraw/zinc/00/87/00/779008700.db2.gz KMFWNWNJXDTEJE-QMMMGPOBSA-N 0 0 276.163 2.920 20 10 CFCDRN C[N@H+](Cc1c(O)ccc(F)c1Cl)[C@H]1CCCOC1 ZINC001237125291 779018444 /nfs/dbraw/zinc/01/84/44/779018444.db2.gz CEUJYJUCSIKMLX-VIFPVBQESA-N 0 0 273.735 2.796 20 10 CFCDRN O=C1CN(Cc2c(O)ccc(F)c2Cl)CCC[C@H]1F ZINC001237122139 779019059 /nfs/dbraw/zinc/01/90/59/779019059.db2.gz SIUMFEYHTZKXNV-SECBINFHSA-N 0 0 289.709 2.688 20 10 CFCDRN CCOC(=O)CN(CC)Cc1c(O)ccc(F)c1Cl ZINC001237131157 779022522 /nfs/dbraw/zinc/02/25/22/779022522.db2.gz UECJDBBMPMHRMD-UHFFFAOYSA-N 0 0 289.734 2.570 20 10 CFCDRN C[C@@H]1CC(=O)CCN1Cc1cc(C(F)(F)F)ccc1O ZINC001237135650 779023369 /nfs/dbraw/zinc/02/33/69/779023369.db2.gz KICQNGVHUUWKPE-SECBINFHSA-N 0 0 287.281 2.964 20 10 CFCDRN [O-]c1cc(F)cc(F)c1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237226063 779056010 /nfs/dbraw/zinc/05/60/10/779056010.db2.gz ULLKUHFDJQHSRS-CQSZACIVSA-N 0 0 280.318 2.512 20 10 CFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237484361 779118320 /nfs/dbraw/zinc/11/83/20/779118320.db2.gz CWTLAHFADOWTMK-BBRMVZONSA-N 0 0 261.365 2.702 20 10 CFCDRN Cc1cccc(O)c1CN1CCN(c2ccccc2)C(=O)C1 ZINC001237489384 779119140 /nfs/dbraw/zinc/11/91/40/779119140.db2.gz GYQPKNJSDBMWTC-UHFFFAOYSA-N 0 0 296.370 2.549 20 10 CFCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC[C@@H]1O ZINC001237617149 779144771 /nfs/dbraw/zinc/14/47/71/779144771.db2.gz LGLRCHHHYRUYMP-ZANVPECISA-N 0 0 287.762 2.778 20 10 CFCDRN CC[N@H+](CCN(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237619333 779145732 /nfs/dbraw/zinc/14/57/32/779145732.db2.gz MZBBPWKQDYXICW-UHFFFAOYSA-N 0 0 274.767 2.568 20 10 CFCDRN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622703 779147292 /nfs/dbraw/zinc/14/72/92/779147292.db2.gz WXUJYKNHESJXHO-SNVBAGLBSA-N 0 0 285.746 2.986 20 10 CFCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237622758 779147407 /nfs/dbraw/zinc/14/74/07/779147407.db2.gz YZGYOWUSFSUJCH-TVQRCGJNSA-N 0 0 285.746 2.796 20 10 CFCDRN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]12 ZINC001237624640 779147473 /nfs/dbraw/zinc/14/74/73/779147473.db2.gz XDIZCUKCXHZURR-SKDRFNHKSA-N 0 0 297.757 2.986 20 10 CFCDRN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)cc(Cl)c3[O-])[C@H]2C1 ZINC001237799618 779181312 /nfs/dbraw/zinc/18/13/12/779181312.db2.gz SGBSADKVHIFRJQ-YGRLFVJLSA-N 0 0 298.789 2.711 20 10 CFCDRN C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]12 ZINC001237800731 779181994 /nfs/dbraw/zinc/18/19/94/779181994.db2.gz ARPBGQKLNQKTMP-XTWCZFFVSA-N 0 0 285.746 2.651 20 10 CFCDRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237799880 779182142 /nfs/dbraw/zinc/18/21/42/779182142.db2.gz JLOAVSXTHNLATJ-VHSXEESVSA-N 0 0 286.778 2.709 20 10 CFCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2(C1)CCOCC2 ZINC001237814433 779186806 /nfs/dbraw/zinc/18/68/06/779186806.db2.gz RGUJQTYIXVAVPM-UHFFFAOYSA-N 0 0 285.746 2.797 20 10 CFCDRN C[NH+](C)[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815199 779187434 /nfs/dbraw/zinc/18/74/34/779187434.db2.gz WWXQFZWEBOUEMF-GFCCVEGCSA-N 0 0 286.778 2.711 20 10 CFCDRN CO[C@@H]([C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000388262364 779193960 /nfs/dbraw/zinc/19/39/60/779193960.db2.gz DKQLNTIBIBPWKU-OTYXRUKQSA-N 0 0 269.772 2.949 20 10 CFCDRN CC[C@H](C)n1nccc1C(=O)N(C)c1ccc(N)cc1 ZINC001122174424 779197827 /nfs/dbraw/zinc/19/78/27/779197827.db2.gz PJFLCDMIFVEBTN-NSHDSACASA-N 0 0 272.352 2.713 20 10 CFCDRN Oc1cc(Cl)c(F)cc1CN(C1CC1)C1COC1 ZINC001237948703 779214743 /nfs/dbraw/zinc/21/47/43/779214743.db2.gz GUHJAXVBRKGVLN-UHFFFAOYSA-N 0 0 271.719 2.548 20 10 CFCDRN Cc1cc(F)cc(CN2Cc3ccncc3C2)c1O ZINC001238061404 779242872 /nfs/dbraw/zinc/24/28/72/779242872.db2.gz HTXUUHMWXZEKQC-UHFFFAOYSA-N 0 0 258.296 2.751 20 10 CFCDRN C/C(=C/c1cccnc1)C(=O)N(C)c1ccnc(C)c1 ZINC001127414082 779422116 /nfs/dbraw/zinc/42/21/16/779422116.db2.gz CGLLTPAYYKSKQW-XFXZXTDPSA-N 0 0 267.332 2.851 20 10 CFCDRN CC(C)N(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC001236529672 779576708 /nfs/dbraw/zinc/57/67/08/779576708.db2.gz PXKRASUGWUXWDA-LBPRGKRZSA-N 0 0 286.778 2.757 20 10 CFCDRN COc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c([O-])c1Cl ZINC001236810937 779641939 /nfs/dbraw/zinc/64/19/39/779641939.db2.gz BVKGDGNIGLXHOO-GFCCVEGCSA-N 0 0 298.814 2.580 20 10 CFCDRN COc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1Cl ZINC001236807859 779642098 /nfs/dbraw/zinc/64/20/98/779642098.db2.gz UFFZSXRBJMAKPJ-RTCCRHLQSA-N 0 0 285.746 2.702 20 10 CFCDRN CC(C)c1ccc(CN2CCC(=O)[C@H](F)C2)c(O)c1 ZINC001237049289 779660409 /nfs/dbraw/zinc/66/04/09/779660409.db2.gz NDJILTBJMGFSIX-CYBMUJFWSA-N 0 0 265.328 2.629 20 10 CFCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001237934964 779725100 /nfs/dbraw/zinc/72/51/00/779725100.db2.gz OBORSRNECQNTPB-JTQLQIEISA-N 0 0 287.762 2.779 20 10 CFCDRN COc1cncc(-c2ccn(Cc3ccccc3)c(=O)c2)c1 ZINC001239932217 779868539 /nfs/dbraw/zinc/86/85/39/779868539.db2.gz KYDVYMLNFVVDIF-UHFFFAOYSA-N 0 0 292.338 2.967 20 10 CFCDRN O=c1cc(-c2cnoc2)ccn1Cc1ccc(F)cc1 ZINC001239188067 779906116 /nfs/dbraw/zinc/90/61/16/779906116.db2.gz BXWBTIUONXDQQJ-UHFFFAOYSA-N 0 0 270.263 2.691 20 10 CFCDRN CCCn1cc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001240133552 779958300 /nfs/dbraw/zinc/95/83/00/779958300.db2.gz PCMXLOVZPNYUPP-UHFFFAOYSA-N 0 0 294.358 2.565 20 10 CFCDRN Cc1nn(C)c(C)c1-c1ccn(CC(C)C)c(=O)c1 ZINC001240147050 779968891 /nfs/dbraw/zinc/96/88/91/779968891.db2.gz PQYWMJMQMKWPCS-UHFFFAOYSA-N 0 0 259.353 2.522 20 10 CFCDRN COc1cc(-c2noc(-c3csnn3)n2)ccc1C ZINC001212362203 779994149 /nfs/dbraw/zinc/99/41/49/779994149.db2.gz QGUAQAFJGTXAHG-UHFFFAOYSA-N 0 0 274.305 2.572 20 10 CFCDRN CCn1ccc(-c2ccc(C(F)(F)F)nc2)cc1=O ZINC001240272697 780040786 /nfs/dbraw/zinc/04/07/86/780040786.db2.gz YLTBBJGXURPWJF-UHFFFAOYSA-N 0 0 268.238 2.949 20 10 CFCDRN Cc1snnc1-c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001212405141 780094545 /nfs/dbraw/zinc/09/45/45/780094545.db2.gz IYEKEWFFHNURRH-UHFFFAOYSA-N 0 0 298.327 2.692 20 10 CFCDRN COc1cc(C)cc(-c2noc(-c3nnsc3C)n2)c1 ZINC001212405134 780095146 /nfs/dbraw/zinc/09/51/46/780095146.db2.gz IUOBNHKBSSVNLH-UHFFFAOYSA-N 0 0 288.332 2.881 20 10 CFCDRN Cc1snnc1-c1nc(-c2cccc(C)c2)no1 ZINC001212405574 780095209 /nfs/dbraw/zinc/09/52/09/780095209.db2.gz WWUMCFIZFOKLJX-UHFFFAOYSA-N 0 0 258.306 2.872 20 10 CFCDRN COC(=O)c1cc2ccc(-c3cnn(C)c3C)cc2n1C ZINC001240381866 780125171 /nfs/dbraw/zinc/12/51/71/780125171.db2.gz PPKPNINTTHDPFW-UHFFFAOYSA-N 0 0 283.331 2.674 20 10 CFCDRN O=c1cc(-c2cnc3[nH]ccc3c2)ccn1CC1CC1 ZINC001240394097 780135972 /nfs/dbraw/zinc/13/59/72/780135972.db2.gz JWRRFORSWQGKOZ-UHFFFAOYSA-N 0 0 265.316 2.753 20 10 CFCDRN Cn1ccc2ccc(-c3nccc4c3NC(=O)C4)cc21 ZINC001240570744 780263701 /nfs/dbraw/zinc/26/37/01/780263701.db2.gz CWXIMGUYHJOOSK-UHFFFAOYSA-N 0 0 263.300 2.735 20 10 CFCDRN COCc1nccnc1-c1ccc2ccn(C)c2c1 ZINC001240570147 780263754 /nfs/dbraw/zinc/26/37/54/780263754.db2.gz BULXHIWNWADDBL-UHFFFAOYSA-N 0 0 253.305 2.782 20 10 CFCDRN Cc1c(C(N)=O)cncc1-c1ccc2ccn(C)c2c1 ZINC001240575263 780265843 /nfs/dbraw/zinc/26/58/43/780265843.db2.gz WCZJUYHZQPSMJH-UHFFFAOYSA-N 0 0 265.316 2.648 20 10 CFCDRN CON(C)C(=O)c1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240573735 780266366 /nfs/dbraw/zinc/26/63/66/780266366.db2.gz JGYSEXCHNQGQKK-UHFFFAOYSA-N 0 0 295.342 2.874 20 10 CFCDRN COc1ncc(-c2ccc3ccn(C)c3c2)nc1OC ZINC001240574557 780266401 /nfs/dbraw/zinc/26/64/01/780266401.db2.gz QWULKMLBLCPUBW-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN Cn1ccc2ccc(-c3cnn(CC4CC4)c(=O)c3)cc21 ZINC001240575861 780267366 /nfs/dbraw/zinc/26/73/66/780267366.db2.gz GZBMQCWQJVXJAS-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN CC(C)(O)c1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001240668930 780342293 /nfs/dbraw/zinc/34/22/93/780342293.db2.gz BYTSBJUAYXKRRJ-UHFFFAOYSA-N 0 0 284.359 2.548 20 10 CFCDRN Cc1ncccc1-c1ccn(Cc2ccccn2)c(=O)c1 ZINC001240730008 780397446 /nfs/dbraw/zinc/39/74/46/780397446.db2.gz CYDXPPONURSHNT-UHFFFAOYSA-N 0 0 277.327 2.662 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2nccc3c2ccn3C)cn1 ZINC001240751244 780414809 /nfs/dbraw/zinc/41/48/09/780414809.db2.gz UPRIYDWUUTWYNC-NSHDSACASA-N 0 0 270.336 2.992 20 10 CFCDRN CCO[C@@H](C)n1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001240759404 780422749 /nfs/dbraw/zinc/42/27/49/780422749.db2.gz NRDKPZWHMLODQX-LBPRGKRZSA-N 0 0 287.363 2.677 20 10 CFCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(CO)n1 ZINC001117263462 780426475 /nfs/dbraw/zinc/42/64/75/780426475.db2.gz FOFXVBIMYHXLDN-LBPRGKRZSA-N 0 0 286.379 2.516 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2cnn(C3COC3)c2)cn1 ZINC001240784729 780439309 /nfs/dbraw/zinc/43/93/09/780439309.db2.gz OTZPEHHJXWTRHS-UHFFFAOYSA-N 0 0 294.358 2.924 20 10 CFCDRN CCn1ccc(-c2ccc(OC(C)C)nc2)cc1=O ZINC001240811539 780461968 /nfs/dbraw/zinc/46/19/68/780461968.db2.gz YBANRUYPLKQXQB-UHFFFAOYSA-N 0 0 258.321 2.717 20 10 CFCDRN CN(C(=O)/C=C\c1cn(C)cn1)c1cccc2cccnc21 ZINC001128504826 780557383 /nfs/dbraw/zinc/55/73/83/780557383.db2.gz HZYFMXBSYCCUFH-HJWRWDBZSA-N 0 0 292.342 2.645 20 10 CFCDRN Cn1ccc(-c2cnc3cccc(F)c3c2)cc1=O ZINC001240991707 780578814 /nfs/dbraw/zinc/57/88/14/780578814.db2.gz SAUAQDUFQUZEGB-UHFFFAOYSA-N 0 0 254.264 2.740 20 10 CFCDRN Nc1ccccc1-c1ccn(CC(F)(F)F)c(=O)c1 ZINC001241079697 780630396 /nfs/dbraw/zinc/63/03/96/780630396.db2.gz YRLKYSUEDKDCPX-UHFFFAOYSA-N 0 0 268.238 2.660 20 10 CFCDRN [O-]c1c(Cl)cccc1CN1CCO[C@H](CCF)C1 ZINC000700591439 780702986 /nfs/dbraw/zinc/70/29/86/780702986.db2.gz MZWXUJIUMXJHTF-LLVKDONJSA-N 0 0 273.735 2.606 20 10 CFCDRN Cn1cc(C2=CCN(c3ccccc3)CC2)ccc1=O ZINC001241351703 780802325 /nfs/dbraw/zinc/80/23/25/780802325.db2.gz CVZQMPCQKVUVHO-UHFFFAOYSA-N 0 0 266.344 2.679 20 10 CFCDRN Nc1cncc(C2=CCN(c3ccccc3)CC2)c1 ZINC001241352133 780803423 /nfs/dbraw/zinc/80/34/23/780803423.db2.gz OTFJWIVDAYRTRW-UHFFFAOYSA-N 0 0 251.333 2.958 20 10 CFCDRN CC1(C)C[N@H+](Cc2c([O-])cccc2F)[C@@](C)(CO)C1 ZINC001137832993 780925970 /nfs/dbraw/zinc/92/59/70/780925970.db2.gz OUZXEQCPKPWCDD-OAHLLOKOSA-N 0 0 267.344 2.514 20 10 CFCDRN COc1ccc(-c2cnc3ccn(C)c3c2)c(OC)n1 ZINC001241576656 780993403 /nfs/dbraw/zinc/99/34/03/780993403.db2.gz CGJJIRMDIKEFHR-UHFFFAOYSA-N 0 0 269.304 2.653 20 10 CFCDRN C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703275035 781001114 /nfs/dbraw/zinc/00/11/14/781001114.db2.gz QFEBWNNCOKCOEA-XVKPBYJWSA-N 0 0 259.321 2.512 20 10 CFCDRN CC(C)COCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703260122 781001604 /nfs/dbraw/zinc/00/16/04/781001604.db2.gz XFMPTFDOSYIODN-UHFFFAOYSA-N 0 0 273.323 2.823 20 10 CFCDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc(F)c1F ZINC000703256376 781004631 /nfs/dbraw/zinc/00/46/31/781004631.db2.gz JVRJNFATSYWKGJ-MKPLZMMCSA-N 0 0 253.292 2.949 20 10 CFCDRN COC1(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CCC1 ZINC000703382412 781012455 /nfs/dbraw/zinc/01/24/55/781012455.db2.gz ZPUFHEQPZYPONF-UHFFFAOYSA-N 0 0 271.307 2.719 20 10 CFCDRN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H](C)OC ZINC000703447893 781015008 /nfs/dbraw/zinc/01/50/08/781015008.db2.gz NMMGSJLXYBIDRU-VIFPVBQESA-N 0 0 259.296 2.527 20 10 CFCDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(F)cc1[O-] ZINC000703548514 781028345 /nfs/dbraw/zinc/02/83/45/781028345.db2.gz LTFCBROPQGSTFR-CKQAKLJMSA-N 0 0 267.344 2.876 20 10 CFCDRN Cc1nc2c(ccn2C)c(-c2cnn(C3CCC3)c2)n1 ZINC001241720016 781093357 /nfs/dbraw/zinc/09/33/57/781093357.db2.gz KBAGVLQEXRVYAU-UHFFFAOYSA-N 0 0 267.336 2.865 20 10 CFCDRN CC(=O)Nc1cncc(-c2cccc3c2ccn3C)n1 ZINC001241820645 781144140 /nfs/dbraw/zinc/14/41/40/781144140.db2.gz NTHZPUFQQIZIFN-UHFFFAOYSA-N 0 0 266.304 2.594 20 10 CFCDRN Cn1ccc2c1cccc2-c1ccnn(CC2CC2)c1=O ZINC001241824655 781145531 /nfs/dbraw/zinc/14/55/31/781145531.db2.gz UMWUVKGXCBNLOK-UHFFFAOYSA-N 0 0 279.343 2.812 20 10 CFCDRN Nc1ccc(NC(=O)NC[C@H]2CCCC23CC3)cc1 ZINC000706297754 781170642 /nfs/dbraw/zinc/17/06/42/781170642.db2.gz LXPDLTMOFNJBFK-LLVKDONJSA-N 0 0 259.353 2.971 20 10 CFCDRN Fc1cc(C2=CCOCC2)cc(F)c1N1CCOCC1 ZINC001242078906 781270003 /nfs/dbraw/zinc/27/00/03/781270003.db2.gz PAVCYJWTXIAELL-UHFFFAOYSA-N 0 0 281.302 2.605 20 10 CFCDRN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393292 781271938 /nfs/dbraw/zinc/27/19/38/781271938.db2.gz BSRULTRSAYOOTA-ZDUSSCGKSA-N 0 0 286.366 2.736 20 10 CFCDRN COCCC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708385318 781272052 /nfs/dbraw/zinc/27/20/52/781272052.db2.gz RKIITEKSJGYDKR-UHFFFAOYSA-N 0 0 285.334 2.919 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708390392 781272081 /nfs/dbraw/zinc/27/20/81/781272081.db2.gz PJRHCPCYSVXBET-SECBINFHSA-N 0 0 273.323 2.557 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000708420253 781272890 /nfs/dbraw/zinc/27/28/90/781272890.db2.gz HKDGQYLJHFKRFT-UHFFFAOYSA-N 0 0 275.298 2.927 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000708445669 781275230 /nfs/dbraw/zinc/27/52/30/781275230.db2.gz VYZFQHPHAXITBZ-VIFPVBQESA-N 0 0 273.348 2.903 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000708481877 781275364 /nfs/dbraw/zinc/27/53/64/781275364.db2.gz VIMZMCGFWLALEF-JTQLQIEISA-N 0 0 291.388 2.609 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000708453194 781275412 /nfs/dbraw/zinc/27/54/12/781275412.db2.gz FMLDXGDRYCNJRW-HOTUBEGUSA-N 0 0 253.292 2.949 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000708494591 781291558 /nfs/dbraw/zinc/29/15/58/781291558.db2.gz MLNJPOZTEKZJQP-JTQLQIEISA-N 0 0 259.321 2.656 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCSCC1 ZINC000708494031 781291592 /nfs/dbraw/zinc/29/15/92/781291592.db2.gz CVBSFJRIXDETFN-UHFFFAOYSA-N 0 0 259.321 2.656 20 10 CFCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])O1 ZINC000708534565 781292063 /nfs/dbraw/zinc/29/20/63/781292063.db2.gz AOBHYMDDRGAECH-SKDRFNHKSA-N 0 0 271.307 2.718 20 10 CFCDRN CC(C)(C)OCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708518082 781292265 /nfs/dbraw/zinc/29/22/65/781292265.db2.gz ZITKWEZXDVNACN-UHFFFAOYSA-N 0 0 273.323 2.965 20 10 CFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000708536054 781292275 /nfs/dbraw/zinc/29/22/75/781292275.db2.gz VASVFXZOYULDCZ-UHFFFAOYSA-N 0 0 253.292 2.949 20 10 CFCDRN CO[C@H]([C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708517682 781292367 /nfs/dbraw/zinc/29/23/67/781292367.db2.gz RXHJYMMRFPEOMM-RMLUDKJBSA-N 0 0 271.307 2.574 20 10 CFCDRN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000708534905 781292636 /nfs/dbraw/zinc/29/26/36/781292636.db2.gz GITHXILIVZMHFA-ZJUUUORDSA-N 0 0 271.307 2.575 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711831634 781474327 /nfs/dbraw/zinc/47/43/27/781474327.db2.gz HEJMRYWVOXTGFU-ZFWWWQNUSA-N 0 0 279.355 2.826 20 10 CFCDRN CC(C)n1cc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001242437009 781501969 /nfs/dbraw/zinc/50/19/69/781501969.db2.gz DGSBVCTULLFQSJ-UHFFFAOYSA-N 0 0 294.358 2.736 20 10 CFCDRN CCOc1cncc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001242660135 781678400 /nfs/dbraw/zinc/67/84/00/781678400.db2.gz IXTCEDMADYFRIW-UHFFFAOYSA-N 0 0 280.327 2.999 20 10 CFCDRN C/C(=C(\F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000821768666 781885980 /nfs/dbraw/zinc/88/59/80/781885980.db2.gz YFJLOQSTUWOZMC-BNXJGPFFSA-N 0 0 293.338 2.799 20 10 CFCDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273366835 282242187 /nfs/dbraw/zinc/24/21/87/282242187.db2.gz BRRKILWCVQLENA-BMIGLBTASA-N 0 0 296.367 2.748 20 10 CFCDRN CN(C)c1ccc(CNC(=O)N(C)C2CCCC2)cc1F ZINC000172022434 282289964 /nfs/dbraw/zinc/28/99/64/282289964.db2.gz LJRHXQQKVIGERZ-UHFFFAOYSA-N 0 0 293.386 2.976 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC=CCC1 ZINC000173206996 282295116 /nfs/dbraw/zinc/29/51/16/282295116.db2.gz VKWZTKNKBPTHEP-CYBMUJFWSA-N 0 0 286.375 2.834 20 10 CFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC(C)(C)C1 ZINC000353402794 282295248 /nfs/dbraw/zinc/29/52/48/282295248.db2.gz KCMFLLALKLGRSL-UHFFFAOYSA-N 0 0 288.391 2.914 20 10 CFCDRN CC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000073439204 346978204 /nfs/dbraw/zinc/97/82/04/346978204.db2.gz XIPGYLXMDVNKAO-CQSZACIVSA-N 0 0 290.407 2.528 20 10 CFCDRN CN(C)c1ccc(CNC(=O)/C=C/C(C)(C)C)cc1 ZINC000074186247 347001467 /nfs/dbraw/zinc/00/14/67/347001467.db2.gz CQXFWSFNCKNCDZ-ZHACJKMWSA-N 0 0 260.381 2.971 20 10 CFCDRN Cc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000018215252 346241142 /nfs/dbraw/zinc/24/11/42/346241142.db2.gz WRXSPXXAFCVSBO-UHFFFAOYSA-N 0 0 282.387 2.920 20 10 CFCDRN CCS[C@H](C(=O)NCc1ccccc1O)C(C)C ZINC000067157940 346793920 /nfs/dbraw/zinc/79/39/20/346793920.db2.gz HOBHVUFXAIIJJE-ZDUSSCGKSA-N 0 0 267.394 2.786 20 10 CFCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N(C)C)cc1 ZINC000076664678 347146674 /nfs/dbraw/zinc/14/66/74/347146674.db2.gz IUYBLVKHIHQPIV-UHFFFAOYSA-N 0 0 286.335 2.976 20 10 CFCDRN CCc1nsc(NCc2ccc(N(C)C)cc2)n1 ZINC000080778036 347380292 /nfs/dbraw/zinc/38/02/92/347380292.db2.gz LJOVOGRFZAUXRW-UHFFFAOYSA-N 0 0 262.382 2.779 20 10 CFCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccccc1O ZINC000088348277 347502166 /nfs/dbraw/zinc/50/21/66/347502166.db2.gz AVHHXFBGLBAMOO-CYBMUJFWSA-N 0 0 279.380 2.850 20 10 CFCDRN CCc1nn(C)cc1NCc1cc(C)c(C)cc1O ZINC000091070502 347569640 /nfs/dbraw/zinc/56/96/40/347569640.db2.gz DGLAATZEEKGEAJ-UHFFFAOYSA-N 0 0 259.353 2.917 20 10 CFCDRN C[C@H]([NH2+]CCN1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191195586 299296888 /nfs/dbraw/zinc/29/68/88/299296888.db2.gz BNTFLZJNODNTAK-NSHDSACASA-N 0 0 284.350 2.807 20 10 CFCDRN CC[C@@H](C)[C@H](C)NC(=O)NCc1ccccc1O ZINC000263664004 383685235 /nfs/dbraw/zinc/68/52/35/383685235.db2.gz AQZDWDLRYBKDQA-MNOVXSKESA-N 0 0 250.342 2.626 20 10 CFCDRN C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000042828414 372960641 /nfs/dbraw/zinc/96/06/41/372960641.db2.gz IEFAWWVQMRGIGK-JSGCOSHPSA-N 0 0 260.381 2.754 20 10 CFCDRN CCC[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000060389850 373694907 /nfs/dbraw/zinc/69/49/07/373694907.db2.gz VYBTZKVQQANCPS-AWEZNQCLSA-N 0 0 290.407 2.780 20 10 CFCDRN CCOCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841242 373957876 /nfs/dbraw/zinc/95/78/76/373957876.db2.gz VGJVTEXIFVPXJM-UHFFFAOYSA-N 0 0 296.386 2.715 20 10 CFCDRN O=C(/C=C/c1cnccn1)N1CCc2cc(Cl)ccc21 ZINC000493245750 246532922 /nfs/dbraw/zinc/53/29/22/246532922.db2.gz AIRIZMRKRBRKLR-DUXPYHPUSA-N 0 0 285.734 2.733 20 10 CFCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000089264131 374892156 /nfs/dbraw/zinc/89/21/56/374892156.db2.gz HUVWSASIJUVKKC-CYBMUJFWSA-N 0 0 295.452 2.693 20 10 CFCDRN CSCCNc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000092848932 375164614 /nfs/dbraw/zinc/16/46/14/375164614.db2.gz PTTYVKLHJFRMEQ-UHFFFAOYSA-N 0 0 282.390 2.996 20 10 CFCDRN Cc1cc(C(=O)NCCCO)c(C)n1-c1cccc(C)c1 ZINC000097176682 375536868 /nfs/dbraw/zinc/53/68/68/375536868.db2.gz CHZCFRLHDOATRW-UHFFFAOYSA-N 0 0 286.375 2.515 20 10 CFCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]2CCC[C@@H]21 ZINC000378822780 781966508 /nfs/dbraw/zinc/96/65/08/781966508.db2.gz GBAKCHMTSVVFKK-NWDGAFQWSA-N 0 0 275.348 2.749 20 10 CFCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnn(C)c1 ZINC000122931676 376942255 /nfs/dbraw/zinc/94/22/55/376942255.db2.gz GIOYYIZLKCSYBM-ZDUSSCGKSA-N 0 0 284.407 2.653 20 10 CFCDRN Cc1cccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000124694236 377077670 /nfs/dbraw/zinc/07/76/70/377077670.db2.gz GLBOWPCNSKPQMB-HNNXBMFYSA-N 0 0 264.413 2.767 20 10 CFCDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000126961561 377256330 /nfs/dbraw/zinc/25/63/30/377256330.db2.gz JJYRVOIYLLAEJA-UWVGGRQHSA-N 0 0 255.745 2.655 20 10 CFCDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000126961802 377256466 /nfs/dbraw/zinc/25/64/66/377256466.db2.gz JJYRVOIYLLAEJA-NXEZZACHSA-N 0 0 255.745 2.655 20 10 CFCDRN CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000128220919 377325438 /nfs/dbraw/zinc/32/54/38/377325438.db2.gz SBNDZJAGCNCDTJ-MNOVXSKESA-N 0 0 290.190 2.948 20 10 CFCDRN CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(N(C)C)cc1 ZINC000134627237 378040156 /nfs/dbraw/zinc/04/01/56/378040156.db2.gz SYOHWHHIUBXBLW-LXZKKBNFSA-N 0 0 274.408 2.730 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc[nH]1 ZINC000136975550 378215115 /nfs/dbraw/zinc/21/51/15/378215115.db2.gz MITZUDAABWDJRN-UHFFFAOYSA-N 0 0 258.321 2.773 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2CO)cc1 ZINC000153843573 378516368 /nfs/dbraw/zinc/51/63/68/378516368.db2.gz CIHJVMBULKKSTL-QGZVFWFLSA-N 0 0 298.386 2.691 20 10 CFCDRN C[C@H](F)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000378848518 781968420 /nfs/dbraw/zinc/96/84/20/781968420.db2.gz BYELHTYXNRPANZ-QMMMGPOBSA-N 0 0 276.149 2.992 20 10 CFCDRN Cc1ccc(C)n1-c1ccc(-c2cncn2C)cn1 ZINC001243069883 781969027 /nfs/dbraw/zinc/96/90/27/781969027.db2.gz ZWAZNRPFKQPKBI-UHFFFAOYSA-N 0 0 252.321 2.890 20 10 CFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000172811483 379651229 /nfs/dbraw/zinc/65/12/29/379651229.db2.gz KYQBMLOFZKTHIA-BPOWMSRESA-N 0 0 290.319 2.770 20 10 CFCDRN COc1ccc(N(CCO)Cc2ccccc2)cc1 ZINC000177680840 380365572 /nfs/dbraw/zinc/36/55/72/380365572.db2.gz LBWVGLBJVRRIKX-UHFFFAOYSA-N 0 0 257.333 2.694 20 10 CFCDRN COc1ccc(O)c(CN2CCO[C@H](c3ccco3)C2)c1 ZINC000180628761 380684656 /nfs/dbraw/zinc/68/46/56/380684656.db2.gz PCTQVYYFRKJXLB-INIZCTEOSA-N 0 0 289.331 2.567 20 10 CFCDRN CC(C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180636545 380684675 /nfs/dbraw/zinc/68/46/75/380684675.db2.gz XOBQERHCYPLNLL-SOFGYWHQSA-N 0 0 263.337 2.663 20 10 CFCDRN CCN(CC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180646776 380686462 /nfs/dbraw/zinc/68/64/62/380686462.db2.gz WGVLDRUGARNGOY-SOFGYWHQSA-N 0 0 263.337 2.616 20 10 CFCDRN CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180975992 380720039 /nfs/dbraw/zinc/72/00/39/380720039.db2.gz SMACGFZTTJKCKA-YBFGJNSCSA-N 0 0 263.337 2.662 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000181010273 380725258 /nfs/dbraw/zinc/72/52/58/380725258.db2.gz LFWBWVKHUCASME-RMBYMVKESA-N 0 0 287.359 2.663 20 10 CFCDRN C[C@@H]1CC[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181144705 380748274 /nfs/dbraw/zinc/74/82/74/380748274.db2.gz CDEAFOHSGIBCBN-TXBNAWBVSA-N 0 0 275.348 2.758 20 10 CFCDRN C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)CO1 ZINC000295433775 380853625 /nfs/dbraw/zinc/85/36/25/380853625.db2.gz TXKLSPZJNBAWIF-IUCAKERBSA-N 0 0 273.735 2.794 20 10 CFCDRN C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295501607 380899987 /nfs/dbraw/zinc/89/99/87/380899987.db2.gz YJZKFAKYVFKKEU-ZDUSSCGKSA-N 0 0 273.735 2.532 20 10 CFCDRN CN(C)c1ccc(CNCc2nccc(C(F)F)n2)cc1 ZINC000288488688 381014136 /nfs/dbraw/zinc/01/41/36/381014136.db2.gz QRMIAQICYBOBQF-UHFFFAOYSA-N 0 0 292.333 2.770 20 10 CFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000289106438 381025969 /nfs/dbraw/zinc/02/59/69/381025969.db2.gz QCAONIUYCKNMQB-VIFPVBQESA-N 0 0 289.301 2.503 20 10 CFCDRN CCCN(Cc1cn(C(C)C)nn1)Cc1ccccc1O ZINC000289272235 381029136 /nfs/dbraw/zinc/02/91/36/381029136.db2.gz FGLOOWUOBSELRU-UHFFFAOYSA-N 0 0 288.395 2.977 20 10 CFCDRN Cc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182090922 380989165 /nfs/dbraw/zinc/98/91/65/380989165.db2.gz RFVXGFVAJBLHLT-HNNXBMFYSA-N 0 0 299.418 2.889 20 10 CFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000289314714 381030502 /nfs/dbraw/zinc/03/05/02/381030502.db2.gz FBAVVNKHPVZKPV-PHIMTYICSA-N 0 0 255.745 2.655 20 10 CFCDRN CC(=O)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 ZINC000288029601 380995847 /nfs/dbraw/zinc/99/58/47/380995847.db2.gz AJHXFMAQBNUJGY-UHFFFAOYSA-N 0 0 288.372 2.739 20 10 CFCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1cn3ccsc3n1)CC2 ZINC000296092198 381251539 /nfs/dbraw/zinc/25/15/39/381251539.db2.gz TWNXAAGXYPEDOM-LBPRGKRZSA-N 0 0 285.372 2.879 20 10 CFCDRN CC[C@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCO1 ZINC000183291540 381249680 /nfs/dbraw/zinc/24/96/80/381249680.db2.gz PONMUHYMENEWMM-OCCSQVGLSA-N 0 0 277.364 2.556 20 10 CFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C2CC2)n1 ZINC000183599588 381293685 /nfs/dbraw/zinc/29/36/85/381293685.db2.gz BVOOMCXDZRTSCX-JTQLQIEISA-N 0 0 285.347 2.808 20 10 CFCDRN CCc1nnc(CNCc2ccc(N(CC)CC)cc2)[nH]1 ZINC000296157187 381280186 /nfs/dbraw/zinc/28/01/86/381280186.db2.gz WIILAKQFRSWBLJ-UHFFFAOYSA-N 0 0 287.411 2.503 20 10 CFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc2c1CCCC2 ZINC000296462320 381406574 /nfs/dbraw/zinc/40/65/74/381406574.db2.gz JLEZLORKGLSYPS-UHFFFAOYSA-N 0 0 297.354 2.907 20 10 CFCDRN COc1cc(Cl)cc(CN(C)Cc2cc(C)on2)c1O ZINC000184680946 381459423 /nfs/dbraw/zinc/45/94/23/381459423.db2.gz MTSGEEHMQFZBIT-UHFFFAOYSA-N 0 0 296.754 2.983 20 10 CFCDRN CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(F)cc1[O-] ZINC000296653727 381491225 /nfs/dbraw/zinc/49/12/25/381491225.db2.gz ZBSLHOFLKZKYII-OSMZGAPFSA-N 0 0 267.344 2.733 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)NOCC1CC1 ZINC000297180383 381552799 /nfs/dbraw/zinc/55/27/99/381552799.db2.gz BRJHJSLMIRDAOZ-UHFFFAOYSA-N 0 0 278.352 2.655 20 10 CFCDRN COCCC1(C)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000297345825 381559142 /nfs/dbraw/zinc/55/91/42/381559142.db2.gz GCLIQZLOUPVQHB-UHFFFAOYSA-N 0 0 269.772 2.904 20 10 CFCDRN C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185370189 381614859 /nfs/dbraw/zinc/61/48/59/381614859.db2.gz SUYRLOOGDOQREQ-IUODEOHRSA-N 0 0 289.350 2.786 20 10 CFCDRN C[C@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)C1 ZINC000184232351 262013207 /nfs/dbraw/zinc/01/32/07/262013207.db2.gz BHIUAAGKLVOSRG-VXGBXAGGSA-N 0 0 291.391 2.829 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000371527847 381651766 /nfs/dbraw/zinc/65/17/66/381651766.db2.gz JEVDKNUJPGYJAE-UONOGXRCSA-N 0 0 265.328 2.675 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCc2ccccc2C1 ZINC000185657449 381695478 /nfs/dbraw/zinc/69/54/78/381695478.db2.gz XPEHNOWVJRURBH-AWEZNQCLSA-N 0 0 297.354 2.727 20 10 CFCDRN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCc2ccccc2C1 ZINC000185657429 381696319 /nfs/dbraw/zinc/69/63/19/381696319.db2.gz XPEHNOWVJRURBH-CQSZACIVSA-N 0 0 297.354 2.727 20 10 CFCDRN CCSCC[C@@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000185773417 381728682 /nfs/dbraw/zinc/72/86/82/381728682.db2.gz XNZUDFYYOZQUQT-SNVBAGLBSA-N 0 0 283.393 2.702 20 10 CFCDRN Cc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000298735592 381730375 /nfs/dbraw/zinc/73/03/75/381730375.db2.gz VGWARBFNLWTURB-UHFFFAOYSA-N 0 0 288.395 2.855 20 10 CFCDRN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(F)cc1[O-] ZINC000185735968 381719524 /nfs/dbraw/zinc/71/95/24/381719524.db2.gz FFMGQKXZCHJXAY-WZRBSPASSA-N 0 0 267.344 2.733 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186075142 381818172 /nfs/dbraw/zinc/81/81/72/381818172.db2.gz HGZFYBZCEQEKMK-MNOVXSKESA-N 0 0 269.360 2.979 20 10 CFCDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186075122 381818209 /nfs/dbraw/zinc/81/82/09/381818209.db2.gz HGZFYBZCEQEKMK-QWRGUYRKSA-N 0 0 269.360 2.979 20 10 CFCDRN CC(C)C[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186417575 381904730 /nfs/dbraw/zinc/90/47/30/381904730.db2.gz ZVCMOASOAXCGAG-VXGBXAGGSA-N 0 0 279.380 2.827 20 10 CFCDRN CCc1nnc(CN2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000374787852 382056155 /nfs/dbraw/zinc/05/61/55/382056155.db2.gz KIKVDNCLDUYCON-UHFFFAOYSA-N 0 0 298.390 2.597 20 10 CFCDRN CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1O ZINC000186852837 382030245 /nfs/dbraw/zinc/03/02/45/382030245.db2.gz MHZJPTHDRYUYQP-CQSZACIVSA-N 0 0 299.436 2.648 20 10 CFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H]1c1ccccc1 ZINC000187148301 382110481 /nfs/dbraw/zinc/11/04/81/382110481.db2.gz YUOHVNFKBPRYSY-XHDPSFHLSA-N 0 0 283.327 2.931 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3cc[nH]c3C3CC3)ccc21 ZINC000376051097 382116924 /nfs/dbraw/zinc/11/69/24/382116924.db2.gz SYLYAOUDOYVSFZ-UHFFFAOYSA-N 0 0 295.386 2.814 20 10 CFCDRN CN1CCc2cc(CNC(=O)c3ccsc3)ccc21 ZINC000376309900 382128947 /nfs/dbraw/zinc/12/89/47/382128947.db2.gz GZWMEHXYEVVDTI-UHFFFAOYSA-N 0 0 272.373 2.670 20 10 CFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289911 382075927 /nfs/dbraw/zinc/07/59/27/382075927.db2.gz YSJYWVZHBTUAAC-LLVKDONJSA-N 0 0 288.174 2.656 20 10 CFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375301810 382078763 /nfs/dbraw/zinc/07/87/63/382078763.db2.gz HTGKBBDVLKHDIO-HNNXBMFYSA-N 0 0 265.328 2.534 20 10 CFCDRN CC(C)Oc1nccnc1N1CC=C(c2cccnc2)CC1 ZINC000375351940 382082161 /nfs/dbraw/zinc/08/21/61/382082161.db2.gz GTKMFWGUFZDMLD-UHFFFAOYSA-N 0 0 296.374 2.953 20 10 CFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(C2CCCC2)C1 ZINC000376587986 382152597 /nfs/dbraw/zinc/15/25/97/382152597.db2.gz AOZLFSFUGXPWOT-SOFGYWHQSA-N 0 0 287.359 2.760 20 10 CFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000187528794 382203644 /nfs/dbraw/zinc/20/36/44/382203644.db2.gz GWBBKQQQGZDFFW-GFCCVEGCSA-N 0 0 281.739 2.852 20 10 CFCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cn[nH]c1 ZINC000293673380 382225904 /nfs/dbraw/zinc/22/59/04/382225904.db2.gz QUCUKAKCADUBIL-SSDOTTSWSA-N 0 0 269.707 2.759 20 10 CFCDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187717173 382255047 /nfs/dbraw/zinc/25/50/47/382255047.db2.gz PANGJUWXCOZADX-AUTRQRHGSA-N 0 0 273.323 2.728 20 10 CFCDRN COc1cc(Cl)cc(CN2CCC[C@@H]2CF)c1O ZINC000293957351 382352909 /nfs/dbraw/zinc/35/29/09/382352909.db2.gz JDXFHOSMEQMAFM-LLVKDONJSA-N 0 0 273.735 2.988 20 10 CFCDRN COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000293965275 382357391 /nfs/dbraw/zinc/35/73/91/382357391.db2.gz RJXQIZIDOLTZCZ-INIZCTEOSA-N 0 0 298.386 2.955 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1nccs1 ZINC000365754754 382437064 /nfs/dbraw/zinc/43/70/64/382437064.db2.gz UHXATZBUJOYAFR-SNVBAGLBSA-N 0 0 290.344 2.532 20 10 CFCDRN O=C(c1cccc(O)c1O)N1C[C@H]2CCCCCC[C@H]21 ZINC000365759057 382438214 /nfs/dbraw/zinc/43/82/14/382438214.db2.gz QUTDMDPWOJXDKU-DGCLKSJQSA-N 0 0 275.348 2.893 20 10 CFCDRN O=C(c1cccc(O)c1O)N1CC=C(c2ccccc2)C1 ZINC000365790123 382445629 /nfs/dbraw/zinc/44/56/29/382445629.db2.gz NVUUHILEJKNXGD-UHFFFAOYSA-N 0 0 281.311 2.637 20 10 CFCDRN C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(O)c1O ZINC000188375923 382401903 /nfs/dbraw/zinc/40/19/03/382401903.db2.gz DQBHMUBCPYDLCI-SECBINFHSA-N 0 0 287.319 2.518 20 10 CFCDRN Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C2 ZINC000378617601 382491137 /nfs/dbraw/zinc/49/11/37/382491137.db2.gz BEPUDEKXRZJMGG-QWHCGFSZSA-N 0 0 271.364 2.563 20 10 CFCDRN CSC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000294581419 382517625 /nfs/dbraw/zinc/51/76/25/382517625.db2.gz HROMWHYPMYUPGZ-NSHDSACASA-N 0 0 295.404 2.621 20 10 CFCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1C ZINC000366651568 382540041 /nfs/dbraw/zinc/54/00/41/382540041.db2.gz IIDJAJJMOZHUOT-LSDHHAIUSA-N 0 0 275.392 2.867 20 10 CFCDRN CS[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295061136 382571785 /nfs/dbraw/zinc/57/17/85/382571785.db2.gz OISMVACOKYGSGC-JTQLQIEISA-N 0 0 257.786 2.983 20 10 CFCDRN Cn1ccnc1[C@H]1N(Cc2cc(F)ccc2O)CC1(C)C ZINC000294860036 382533767 /nfs/dbraw/zinc/53/37/67/382533767.db2.gz TUNMJQBRPOTUGR-CQSZACIVSA-N 0 0 289.354 2.848 20 10 CFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCCC1(F)F ZINC000295245677 382597895 /nfs/dbraw/zinc/59/78/95/382597895.db2.gz GKBBUDBDRMLOBG-NSHDSACASA-N 0 0 299.317 2.582 20 10 CFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccncn1 ZINC000190693566 382678075 /nfs/dbraw/zinc/67/80/75/382678075.db2.gz HFDBTVWXVJVFCQ-UHFFFAOYSA-N 0 0 286.335 2.626 20 10 CFCDRN C[N@@H+](Cc1ccccc1O)C[C@H](O)CC1CCCC1 ZINC000190860882 382682848 /nfs/dbraw/zinc/68/28/48/382682848.db2.gz DOCUFRUBMZTBFI-OAHLLOKOSA-N 0 0 263.381 2.765 20 10 CFCDRN Cc1c(C)n(C)c2ccc(OCc3cn(C)nn3)cc12 ZINC000567101633 383241110 /nfs/dbraw/zinc/24/11/10/383241110.db2.gz JEDWYPKJWBOPSB-UHFFFAOYSA-N 0 0 270.336 2.503 20 10 CFCDRN Cc1ccoc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000266234617 384123021 /nfs/dbraw/zinc/12/30/21/384123021.db2.gz VHXDNHGTMDPHFQ-UHFFFAOYSA-N 0 0 286.375 2.714 20 10 CFCDRN CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000266593243 384204542 /nfs/dbraw/zinc/20/45/42/384204542.db2.gz AAJMLWLTBKIISP-UHFFFAOYSA-N 0 0 294.351 2.597 20 10 CFCDRN CCN(Cc1nc([C@H](C)OC)no1)c1ccc(OC)cc1 ZINC000267010947 384278922 /nfs/dbraw/zinc/27/89/22/384278922.db2.gz MJMZMZRCGONOCA-NSHDSACASA-N 0 0 291.351 2.812 20 10 CFCDRN Cc1cc(C(=O)NC[C@@H](O)C2CC2)c(C)n1-c1ccccc1 ZINC000268351420 384610109 /nfs/dbraw/zinc/61/01/09/384610109.db2.gz DYKOGUICDKWRCY-QGZVFWFLSA-N 0 0 298.386 2.595 20 10 CFCDRN CCN(C)c1ccc([C@H](C)NCc2nnc3n2CCC3)cc1 ZINC000268770529 384658827 /nfs/dbraw/zinc/65/88/27/384658827.db2.gz PTUOFGHMGAHFFR-ZDUSSCGKSA-N 0 0 299.422 2.531 20 10 CFCDRN COc1ccc2c(c1)CCN2Cc1cnc(N(C)C)s1 ZINC000269529693 384778989 /nfs/dbraw/zinc/77/89/89/384778989.db2.gz SRLXHZVEJKNNLG-UHFFFAOYSA-N 0 0 289.404 2.780 20 10 CFCDRN CCN(CCc1cccs1)C(=O)Cc1ccc(N)cc1 ZINC000269212307 384736363 /nfs/dbraw/zinc/73/63/63/384736363.db2.gz BLVJJKYTWDRFTC-UHFFFAOYSA-N 0 0 288.416 2.964 20 10 CFCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000269238475 384739616 /nfs/dbraw/zinc/73/96/16/384739616.db2.gz YACPEDKRQRZKCL-DOTOQJQBSA-N 0 0 280.371 2.559 20 10 CFCDRN COc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1C ZINC000269359182 384751971 /nfs/dbraw/zinc/75/19/71/384751971.db2.gz OAQSLYRJQMPOLR-LBPRGKRZSA-N 0 0 279.380 2.823 20 10 CFCDRN C[N@H+](CCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000281764587 385202654 /nfs/dbraw/zinc/20/26/54/385202654.db2.gz LQSDPSHDWJHISN-UHFFFAOYSA-N 0 0 264.152 2.513 20 10 CFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)OC ZINC000282607182 385352008 /nfs/dbraw/zinc/35/20/08/385352008.db2.gz YOBJWOUXZDFFLC-OAHLLOKOSA-N 0 0 279.380 2.946 20 10 CFCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000271244970 385377429 /nfs/dbraw/zinc/37/74/29/385377429.db2.gz BXUDJHCLTUUTIS-UFBFGSQYSA-N 0 0 290.190 2.902 20 10 CFCDRN CCN(Cc1nnc(C)s1)c1ccc(OC)cc1 ZINC000271421161 385381341 /nfs/dbraw/zinc/38/13/41/385381341.db2.gz MGWJNBGSTMLMCQ-UHFFFAOYSA-N 0 0 263.366 2.882 20 10 CFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)C(C)(C)C ZINC000271813587 385392547 /nfs/dbraw/zinc/39/25/47/385392547.db2.gz MKQLUOYAKDUYEP-GFCCVEGCSA-N 0 0 271.788 2.884 20 10 CFCDRN NC(=O)CCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271881429 385395158 /nfs/dbraw/zinc/39/51/58/385395158.db2.gz VFTXPCVGRCPMSI-UHFFFAOYSA-N 0 0 296.798 2.523 20 10 CFCDRN COc1ccc(N(C)Cc2ccn(C)n2)cc1Cl ZINC000271994469 385420927 /nfs/dbraw/zinc/42/09/27/385420927.db2.gz QOCFMYIVKWVNEN-UHFFFAOYSA-N 0 0 265.744 2.719 20 10 CFCDRN Cc1csc(CCCC(=O)NCc2ccccc2O)n1 ZINC000283592632 385479249 /nfs/dbraw/zinc/47/92/49/385479249.db2.gz XTMRFDFKLXWCPC-UHFFFAOYSA-N 0 0 290.388 2.796 20 10 CFCDRN C[C@@H](Sc1nccs1)C(=O)N1CCCCC1 ZINC000283784359 385499114 /nfs/dbraw/zinc/49/91/14/385499114.db2.gz DVAZBGVWSSJJFT-SECBINFHSA-N 0 0 256.396 2.636 20 10 CFCDRN [O-]c1c(F)cccc1C[N@H+](CCO)Cc1ccccc1 ZINC000272340892 385514800 /nfs/dbraw/zinc/51/48/00/385514800.db2.gz YPYNNQJDSMFKTI-UHFFFAOYSA-N 0 0 275.323 2.526 20 10 CFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000272411127 385530748 /nfs/dbraw/zinc/53/07/48/385530748.db2.gz KVWVDPKQVVACHO-DOMZBBRYSA-N 0 0 297.395 2.676 20 10 CFCDRN CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(F)cc1[O-] ZINC000286242182 385576245 /nfs/dbraw/zinc/57/62/45/385576245.db2.gz UBERUQWOSXZNDC-ZDUSSCGKSA-N 0 0 294.370 2.618 20 10 CFCDRN COc1cccc(CN[C@@H](C)c2c(F)cncc2F)c1O ZINC000285530536 385556348 /nfs/dbraw/zinc/55/63/48/385556348.db2.gz PUMKFVZNKRGPNZ-VIFPVBQESA-N 0 0 294.301 2.925 20 10 CFCDRN CC[C@@H]([NH2+]CCCn1ccnc1)c1ccc(F)cc1[O-] ZINC000285782152 385557207 /nfs/dbraw/zinc/55/72/07/385557207.db2.gz UEFKXKJUHBIXKU-CQSZACIVSA-N 0 0 277.343 2.859 20 10 CFCDRN CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285906234 385558499 /nfs/dbraw/zinc/55/84/99/385558499.db2.gz CYGVNLMLWRJTBG-FZMZJTMJSA-N 0 0 296.386 2.877 20 10 CFCDRN CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1[O-] ZINC000285994573 385558723 /nfs/dbraw/zinc/55/87/23/385558723.db2.gz HDVOKTOTWVWBKW-KGLIPLIRSA-N 0 0 294.370 2.581 20 10 CFCDRN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286123826 385562061 /nfs/dbraw/zinc/56/20/61/385562061.db2.gz OEIRMKGXCJYGKC-ZWNOBZJWSA-N 0 0 296.386 2.875 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000286123819 385562084 /nfs/dbraw/zinc/56/20/84/385562084.db2.gz OEIRMKGXCJYGKC-MFKMUULPSA-N 0 0 296.386 2.875 20 10 CFCDRN CC[C@H]1CC[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272659709 385583934 /nfs/dbraw/zinc/58/39/34/385583934.db2.gz OJUNURMASMASNV-KHVLIJPTSA-N 0 0 275.348 2.901 20 10 CFCDRN CC[C@@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1 ZINC000272876824 385639132 /nfs/dbraw/zinc/63/91/32/385639132.db2.gz UUKSCOURDXPZFE-UKRRQHHQSA-N 0 0 291.391 2.946 20 10 CFCDRN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc2c(cc1O)CCCC2 ZINC000273425029 385682724 /nfs/dbraw/zinc/68/27/24/385682724.db2.gz TXLMQEPCQYHSHQ-CYBMUJFWSA-N 0 0 299.418 2.898 20 10 CFCDRN Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c(O)c1C ZINC000273421080 385683007 /nfs/dbraw/zinc/68/30/07/385683007.db2.gz SBXWRIDHZGDHPX-AWEZNQCLSA-N 0 0 290.407 2.672 20 10 CFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1 ZINC000273488250 385684977 /nfs/dbraw/zinc/68/49/77/385684977.db2.gz NTVYNNIXHUUBSB-FIXISWKDSA-N 0 0 294.351 2.909 20 10 CFCDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273540863 385687722 /nfs/dbraw/zinc/68/77/22/385687722.db2.gz YEGQJABGCHHKSR-GHMZBOCLSA-N 0 0 296.367 2.748 20 10 CFCDRN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000273602536 385690604 /nfs/dbraw/zinc/69/06/04/385690604.db2.gz SEHTVBICWUPZQB-HZMBPMFUSA-N 0 0 279.311 2.817 20 10 CFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCS2)cc1 ZINC000273014591 385669974 /nfs/dbraw/zinc/66/99/74/385669974.db2.gz VUUGMAHMUXZDSZ-CQSZACIVSA-N 0 0 278.421 2.655 20 10 CFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCSC(C)C)c1 ZINC000287090481 385779737 /nfs/dbraw/zinc/77/97/37/385779737.db2.gz PIMUOLPQUDHPJF-NSHDSACASA-N 0 0 297.420 2.971 20 10 CFCDRN Cc1cnc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000301849905 393480705 /nfs/dbraw/zinc/48/07/05/393480705.db2.gz WISNVYJKEFARJN-UHFFFAOYSA-N 0 0 266.348 2.773 20 10 CFCDRN Cc1ccc(C(=O)N2CC(C3CCCC3)C2)c(O)c1O ZINC000373760782 393471332 /nfs/dbraw/zinc/47/13/32/393471332.db2.gz YBCUJAKSEZTRQC-UHFFFAOYSA-N 0 0 275.348 2.668 20 10 CFCDRN CC1CCN(c2ccc(CNC(=O)c3ccn[nH]3)cc2)CC1 ZINC000108295824 393873916 /nfs/dbraw/zinc/87/39/16/393873916.db2.gz KHFGDODXSXSFBR-UHFFFAOYSA-N 0 0 298.390 2.576 20 10 CFCDRN COc1ccc(N(CC(=O)NC2CC2)[C@H](C)C2CC2)cc1 ZINC000109774141 393879619 /nfs/dbraw/zinc/87/96/19/393879619.db2.gz KQFDUAYDCFKHSW-GFCCVEGCSA-N 0 0 288.391 2.579 20 10 CFCDRN CO[C@](C)(C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000120244515 393931775 /nfs/dbraw/zinc/93/17/75/393931775.db2.gz USPVRSXBZUCEEO-SFHVURJKSA-N 0 0 299.370 2.912 20 10 CFCDRN CN(C(=O)/C=C\c1cn(C)c2ccccc12)c1ccn(C)n1 ZINC000492692077 394074883 /nfs/dbraw/zinc/07/48/83/394074883.db2.gz YHIIDKNSTMHNOJ-HJWRWDBZSA-N 0 0 294.358 2.588 20 10 CFCDRN Cc1cncc(/C=C\C(=O)N(C)c2ncccc2C)c1 ZINC000492707802 394074917 /nfs/dbraw/zinc/07/49/17/394074917.db2.gz OUZQVQWMKIUWHE-SREVYHEPSA-N 0 0 267.332 2.770 20 10 CFCDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](CO)c2ccccc21 ZINC000492807343 394077564 /nfs/dbraw/zinc/07/75/64/394077564.db2.gz MCOPUIFJGRATQY-LQYUOIDQSA-N 0 0 294.354 2.526 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)C[C@H](C)O2 ZINC000492865573 394085104 /nfs/dbraw/zinc/08/51/04/394085104.db2.gz OTHXFVNOVMUEMR-FUEXJSSKSA-N 0 0 283.331 2.545 20 10 CFCDRN O=C(C=Cc1c[nH]cn1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492902264 394093582 /nfs/dbraw/zinc/09/35/82/394093582.db2.gz QOHDVFJSQWVJHG-OKPNEXGHSA-N 0 0 293.326 2.530 20 10 CFCDRN CCN(C(=O)/C=C/c1cncs1)c1cccnc1C ZINC000493143867 394161148 /nfs/dbraw/zinc/16/11/48/394161148.db2.gz AFQAOVWKZUNRDM-VOTSOKGWSA-N 0 0 273.361 2.913 20 10 CFCDRN C[C@H]1CN(C(=O)/C=C/c2cncs2)c2ccccc2O1 ZINC000493162270 394165246 /nfs/dbraw/zinc/16/52/46/394165246.db2.gz STBNVUJBVMMEBA-MLRMMBSGSA-N 0 0 286.356 2.970 20 10 CFCDRN CC[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000286961097 394201659 /nfs/dbraw/zinc/20/16/59/394201659.db2.gz NEECHUVDMBRLKX-SKDRFNHKSA-N 0 0 257.761 2.857 20 10 CFCDRN CCN(C(=O)NCc1ccc2c(c1)CCN2C)C(C)C ZINC000364441143 394213585 /nfs/dbraw/zinc/21/35/85/394213585.db2.gz CERZFTBJADFLOK-UHFFFAOYSA-N 0 0 275.396 2.619 20 10 CFCDRN CN1CCc2cc(C[NH2+]Cc3c[nH]nc3C(C)(C)C)ccc21 ZINC000364454228 394216407 /nfs/dbraw/zinc/21/64/07/394216407.db2.gz YCNMEOKOLBYKER-UHFFFAOYSA-N 0 0 298.434 2.989 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CC2(CCC2)c2ccccc21 ZINC000493526091 394268807 /nfs/dbraw/zinc/26/88/07/394268807.db2.gz VPZDPIRSQMNHDM-SREVYHEPSA-N 0 0 291.354 2.958 20 10 CFCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000493611588 394290554 /nfs/dbraw/zinc/29/05/54/394290554.db2.gz CEMTWBQGZDJNJI-RUDMXATFSA-N 0 0 297.358 2.940 20 10 CFCDRN O=C(/C=C/c1cncs1)N1CCc2c1cccc2F ZINC000493616514 394291977 /nfs/dbraw/zinc/29/19/77/394291977.db2.gz KZTPPVXSGIXCDK-SNAWJCMRSA-N 0 0 274.320 2.885 20 10 CFCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000297031077 394312775 /nfs/dbraw/zinc/31/27/75/394312775.db2.gz BPBQVCOURMHCOJ-OLZOCXBDSA-N 0 0 287.407 2.619 20 10 CFCDRN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000527957273 394431753 /nfs/dbraw/zinc/43/17/53/394431753.db2.gz QXDKDDDEBUSWBS-BFHYXJOUSA-N 0 0 299.798 2.626 20 10 CFCDRN CN(C)C(=O)COc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000647164431 395192610 /nfs/dbraw/zinc/19/26/10/395192610.db2.gz VGHKTSBDEAPJAG-UHFFFAOYSA-N 0 0 286.375 2.524 20 10 CFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@](C)(F)C2)cc1OC ZINC000294872726 286248450 /nfs/dbraw/zinc/24/84/50/286248450.db2.gz FEFOVGKYPAHKHN-CQSZACIVSA-N 0 0 298.314 2.940 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1noc(C)n1 ZINC000270883183 286388878 /nfs/dbraw/zinc/38/88/78/286388878.db2.gz NWCUQBBRNPNFJH-UHFFFAOYSA-N 0 0 273.336 2.730 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cc[nH]n1 ZINC000291558855 286388949 /nfs/dbraw/zinc/38/89/49/286388949.db2.gz MVWAPADJKIEDQX-UHFFFAOYSA-N 0 0 257.337 2.761 20 10 CFCDRN COCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191205707 292322315 /nfs/dbraw/zinc/32/23/15/292322315.db2.gz OEJKGMMJDWKWIF-VIFPVBQESA-N 0 0 259.296 2.748 20 10 CFCDRN CSC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273611055 286681425 /nfs/dbraw/zinc/68/14/25/286681425.db2.gz VWPBJVLDJXVJBI-IUCAKERBSA-N 0 0 270.354 2.703 20 10 CFCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@@H](O)C(F)F ZINC000296321527 286923726 /nfs/dbraw/zinc/92/37/26/286923726.db2.gz GUQKYQJAXAUHDE-DMDPSCGWSA-N 0 0 291.313 2.977 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC001278359260 782014255 /nfs/dbraw/zinc/01/42/55/782014255.db2.gz ZWTBHZXAJZOOIS-BAQGIRSFSA-N 0 0 286.306 2.906 20 10 CFCDRN Cc1cc(C)n(CCCC(=O)Nc2ccc(N)cc2)n1 ZINC000022174573 171369737 /nfs/dbraw/zinc/36/97/37/171369737.db2.gz OTSIFEAEHFZNDG-UHFFFAOYSA-N 0 0 272.352 2.501 20 10 CFCDRN C[C@H]1CC(C(=O)NCc2ccc(O)c(O)c2)C[C@@H](C)C1 ZINC000182838122 261952346 /nfs/dbraw/zinc/95/23/46/261952346.db2.gz FYLQGFZHOWTUFK-QYJAPNMZSA-N 0 0 277.364 2.786 20 10 CFCDRN COc1ccc(N(C)Cc2ncnn2CC(C)C)cc1F ZINC000182844333 261952650 /nfs/dbraw/zinc/95/26/50/261952650.db2.gz XFFRZZWDIQLDCF-UHFFFAOYSA-N 0 0 292.358 2.718 20 10 CFCDRN Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)o1 ZINC000292708612 263134063 /nfs/dbraw/zinc/13/40/63/263134063.db2.gz OMTOJNGOUUEEOD-UHFFFAOYSA-N 0 0 299.374 2.822 20 10 CFCDRN Cc1cc(O)c(CN2CCC[C@@H]2c2ncon2)cc1C ZINC000360160337 266687997 /nfs/dbraw/zinc/68/79/97/266687997.db2.gz XTHXJUTZMFVBCZ-CYBMUJFWSA-N 0 0 273.336 2.729 20 10 CFCDRN Cc1ccc(O)c(CN2C[C@H](CO)Cc3ccccc32)c1 ZINC000367798332 267118759 /nfs/dbraw/zinc/11/87/59/267118759.db2.gz QDMHHEXZODBCLH-CQSZACIVSA-N 0 0 283.371 2.872 20 10 CFCDRN C[C@H]1CCOCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000368130550 267146882 /nfs/dbraw/zinc/14/68/82/267146882.db2.gz CVDFAPZSOVETFH-JTQLQIEISA-N 0 0 255.745 2.656 20 10 CFCDRN CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368876758 267209982 /nfs/dbraw/zinc/20/99/82/267209982.db2.gz RTKQOAHDJMGXSN-UHFFFAOYSA-N 0 0 298.333 2.783 20 10 CFCDRN CN1CCc2cc(CNC(=O)Cc3cccs3)ccc21 ZINC000370422856 267317870 /nfs/dbraw/zinc/31/78/70/267317870.db2.gz STLPXCXVHVQRMA-UHFFFAOYSA-N 0 0 286.400 2.599 20 10 CFCDRN COc1ccc2c(c1)CCCCN2Cc1cnn(C)c1 ZINC000270862725 277434332 /nfs/dbraw/zinc/43/43/32/277434332.db2.gz KCQWQXRYFIKVJX-UHFFFAOYSA-N 0 0 271.364 2.772 20 10 CFCDRN CC[C@H]([NH2+]CCC(=O)N(C)C)c1cccc(Cl)c1[O-] ZINC000287585725 288038478 /nfs/dbraw/zinc/03/84/78/288038478.db2.gz HQVWTOYCOHJPDZ-LBPRGKRZSA-N 0 0 284.787 2.565 20 10 CFCDRN CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc(Cl)c1[O-] ZINC000287768551 288059815 /nfs/dbraw/zinc/05/98/15/288059815.db2.gz RJSBFIDNVVUOSK-GWCFXTLKSA-N 0 0 294.786 2.767 20 10 CFCDRN CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1ccc(F)cc1[O-] ZINC000285529302 288063169 /nfs/dbraw/zinc/06/31/69/288063169.db2.gz BPDGDGNDFUUJJH-KBPBESRZSA-N 0 0 269.360 2.979 20 10 CFCDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)O ZINC000295037787 288080572 /nfs/dbraw/zinc/08/05/72/288080572.db2.gz PDNZYAMMLJEPQD-RNCFNFMXSA-N 0 0 282.340 2.501 20 10 CFCDRN CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000191957216 281351503 /nfs/dbraw/zinc/35/15/03/281351503.db2.gz AWSXNSSILMEHOO-CQSZACIVSA-N 0 0 269.772 2.783 20 10 CFCDRN C[C@@H]1COCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000365233385 288335072 /nfs/dbraw/zinc/33/50/72/288335072.db2.gz IGUSLOXYFJZYMQ-VIFPVBQESA-N 0 0 273.735 2.653 20 10 CFCDRN C[C@H]1CC[C@H](CCC(=O)N(C)Cc2ccccc2O)O1 ZINC000175503757 327782064 /nfs/dbraw/zinc/78/20/64/327782064.db2.gz RRZXKGGMEBXPIP-GXTWGEPZSA-N 0 0 277.364 2.698 20 10 CFCDRN COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cn1 ZINC000112242049 328392688 /nfs/dbraw/zinc/39/26/88/328392688.db2.gz BTTGGEPUGCHVTI-FNORWQNLSA-N 0 0 289.360 2.531 20 10 CFCDRN CCN(C(=O)/C=C\c1cnn(C)c1C)c1ccccc1 ZINC000255716040 327007306 /nfs/dbraw/zinc/00/73/06/327007306.db2.gz VZRUVHNAZDHOKK-KHPPLWFESA-N 0 0 269.348 2.795 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCF ZINC000526927112 328815098 /nfs/dbraw/zinc/81/50/98/328815098.db2.gz XXGNSLZPVAGHSR-UHFFFAOYSA-N 0 0 277.343 2.646 20 10 CFCDRN C[C@@H](Nc1cccc2c1OCC(=O)N2)c1ccccc1O ZINC000368100534 328935568 /nfs/dbraw/zinc/93/55/68/328935568.db2.gz HTEWIPZEQDWIQT-SNVBAGLBSA-N 0 0 284.315 2.896 20 10 CFCDRN COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000527990588 330299179 /nfs/dbraw/zinc/29/91/79/330299179.db2.gz PHVYOIJPVOCVES-NSHDSACASA-N 0 0 290.338 2.828 20 10 CFCDRN CC[C@H]([NH2+]CC1COC1)c1cccc(Cl)c1[O-] ZINC000528023568 330304770 /nfs/dbraw/zinc/30/47/70/330304770.db2.gz BFTWFAJYFWRFMC-LBPRGKRZSA-N 0 0 255.745 2.733 20 10 CFCDRN C[C@H]([NH2+]CC1COC1)c1cccc(C(F)(F)F)c1[O-] ZINC000528029673 330305049 /nfs/dbraw/zinc/30/50/49/330305049.db2.gz JZTNXNHWZFHKSR-QMMMGPOBSA-N 0 0 275.270 2.708 20 10 CFCDRN O=C(NCc1ccccc1O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000528078044 330305572 /nfs/dbraw/zinc/30/55/72/330305572.db2.gz BRQCSXUXYQPYBC-MBNYWOFBSA-N 0 0 274.364 2.628 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3ccccc32)c1 ZINC000119235160 330372054 /nfs/dbraw/zinc/37/20/54/330372054.db2.gz PQXIWRAPKCLPSX-VOTSOKGWSA-N 0 0 280.327 2.829 20 10 CFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSC1CC1 ZINC000451318353 331024228 /nfs/dbraw/zinc/02/42/28/331024228.db2.gz WRPDIJSUGMZZKQ-UHFFFAOYSA-N 0 0 288.416 2.999 20 10 CFCDRN CSc1cccc(N(C)C(=O)/C=C\c2cnccn2)c1 ZINC000491350403 332194961 /nfs/dbraw/zinc/19/49/61/332194961.db2.gz JOOFPEDGSVFYNP-SREVYHEPSA-N 0 0 285.372 2.875 20 10 CFCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccnc2)s1 ZINC000172189906 335096653 /nfs/dbraw/zinc/09/66/53/335096653.db2.gz LDGVQDMZKUOZOT-AATRIKPKSA-N 0 0 259.334 2.523 20 10 CFCDRN O=C(/C=C\c1cnccn1)N(CC1CC1)c1ccccc1 ZINC000492057010 332380975 /nfs/dbraw/zinc/38/09/75/332380975.db2.gz JORMGEXLWKTYNC-HJWRWDBZSA-N 0 0 279.343 2.933 20 10 CFCDRN Cc1ccc(/C=C/C(=O)N2CCOc3cc(F)ccc32)cn1 ZINC000492335535 332393012 /nfs/dbraw/zinc/39/30/12/332393012.db2.gz FEZKCTJCVIKKPQ-QPJJXVBHSA-N 0 0 298.317 2.968 20 10 CFCDRN Cc1cnc2c(c1)N(C(=O)/C=C/c1cnccc1C)CCO2 ZINC000492414618 332396336 /nfs/dbraw/zinc/39/63/36/332396336.db2.gz IZJKJRYDSGQLBP-ONEGZZNKSA-N 0 0 295.342 2.532 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc(C)n2)cn1 ZINC000492421719 332396747 /nfs/dbraw/zinc/39/67/47/332396747.db2.gz AQSBVHYIQWHQHH-KTKRTIGZSA-N 0 0 267.332 2.770 20 10 CFCDRN C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2O1 ZINC000492435238 332397386 /nfs/dbraw/zinc/39/73/86/332397386.db2.gz FHRSDZQXRBWJMJ-ZHRWSRJISA-N 0 0 296.326 2.615 20 10 CFCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccnc1 ZINC000492549777 332402851 /nfs/dbraw/zinc/40/28/51/332402851.db2.gz QTUHPIOFFICMKZ-CMDGGOBGSA-N 0 0 267.332 2.851 20 10 CFCDRN O=C(/C=C\c1cnccn1)N1CC2(CC2)c2ccccc21 ZINC000492688108 332409706 /nfs/dbraw/zinc/40/97/06/332409706.db2.gz OWNMONZXELUVKI-WAYWQWQTSA-N 0 0 277.327 2.568 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccnc(C)c1 ZINC000492741874 332411836 /nfs/dbraw/zinc/41/18/36/332411836.db2.gz MONLUEJTQFBMSD-SNAWJCMRSA-N 0 0 273.361 2.831 20 10 CFCDRN Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]cn1)CCC2 ZINC000492812916 332414532 /nfs/dbraw/zinc/41/45/32/332414532.db2.gz NUPBGYQGIVEOPM-SREVYHEPSA-N 0 0 267.332 2.711 20 10 CFCDRN C[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)c2c(O)cccc21 ZINC000492814159 332414580 /nfs/dbraw/zinc/41/45/80/332414580.db2.gz STLWQUCOWFMYRS-GZTOBOFZSA-N 0 0 283.331 2.669 20 10 CFCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](CO)c3ccccc32)cn1 ZINC000492853774 332416112 /nfs/dbraw/zinc/41/61/12/332416112.db2.gz OTCQWGHJEVFXHN-CDNLZTBQSA-N 0 0 294.354 2.526 20 10 CFCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(Cl)nn1 ZINC000186511844 333162326 /nfs/dbraw/zinc/16/23/26/333162326.db2.gz GPMFFBUCJYUGMR-ZZXKWVIFSA-N 0 0 294.767 2.571 20 10 CFCDRN Cc1ccccc1C[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000528864805 333462449 /nfs/dbraw/zinc/46/24/49/333462449.db2.gz RUPCZLYWQAXRMN-ZDUSSCGKSA-N 0 0 299.370 2.901 20 10 CFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3cccc(F)c32)c1 ZINC000132902973 334009879 /nfs/dbraw/zinc/00/98/79/334009879.db2.gz LLUKWCOSOICKMI-AATRIKPKSA-N 0 0 298.317 2.968 20 10 CFCDRN O=C(/C=C/c1cccnc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149229 334126553 /nfs/dbraw/zinc/12/65/53/334126553.db2.gz WIJHBGBFLAGYDD-VOTSOKGWSA-N 0 0 295.298 2.592 20 10 CFCDRN CN(C)c1ccccc1N(C)C(=O)/C=C/c1cccnc1 ZINC000153120696 334558469 /nfs/dbraw/zinc/55/84/69/334558469.db2.gz SIZUAKAVQKKXJL-ZHACJKMWSA-N 0 0 281.359 2.824 20 10 CFCDRN