smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(SCCC(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1C ZINC000535927157 937115101 /nfs/dbraw/zinc/11/51/01/937115101.db2.gz AXSOHQMGXUOELN-UHFFFAOYSA-N 0 2 370.503 3.760 20 0 FHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1C ZINC000063181257 927424124 /nfs/dbraw/zinc/42/41/24/927424124.db2.gz JRKCSEYHBSXDRF-UHFFFAOYSA-N 0 2 368.405 3.813 20 0 FHADLN COc1cccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000683143272 927453813 /nfs/dbraw/zinc/45/38/13/927453813.db2.gz RJGOAJVMUKOMQM-UHFFFAOYSA-N 0 2 372.324 3.656 20 0 FHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000579797715 927554602 /nfs/dbraw/zinc/55/46/02/927554602.db2.gz ZSQFKYMRHYJVCC-HOTGVXAUSA-N 0 2 350.447 3.544 20 0 FHADLN Cc1ccc(CS(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000579817670 928005296 /nfs/dbraw/zinc/00/52/96/928005296.db2.gz FXDGYHQEPJCPLQ-UHFFFAOYSA-N 0 2 358.488 3.984 20 0 FHADLN O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cncc(F)c1 ZINC000066247629 928191973 /nfs/dbraw/zinc/19/19/73/928191973.db2.gz LTRMZBPUACNBOP-UHFFFAOYSA-N 0 2 369.830 3.798 20 0 FHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000510116479 928474164 /nfs/dbraw/zinc/47/41/64/928474164.db2.gz GHMIKJHUACECEK-UHFFFAOYSA-N 0 2 364.430 3.530 20 0 FHADLN Cc1c2ccc(NC(=O)c3cccc(Br)c3O)cc2nn1C ZINC000583239902 937270705 /nfs/dbraw/zinc/27/07/05/937270705.db2.gz RIFIFDWAWHRIAV-UHFFFAOYSA-N 0 2 360.211 3.602 20 0 FHADLN CSCc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000109245532 928909881 /nfs/dbraw/zinc/90/98/81/928909881.db2.gz ALZCMZSYVMTFDW-UHFFFAOYSA-N 0 2 373.503 3.595 20 0 FHADLN COCCOc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000430269923 929030829 /nfs/dbraw/zinc/03/08/29/929030829.db2.gz ACLRJEDTLJVLCE-UHFFFAOYSA-N 0 2 370.232 3.905 20 0 FHADLN Cc1ccc(NC(=O)NNC(=O)c2csc(C(C)(C)C)n2)c(Cl)c1 ZINC000075570106 929280619 /nfs/dbraw/zinc/28/06/19/929280619.db2.gz FLNUPKHTNSRTSZ-UHFFFAOYSA-N 0 2 366.874 3.869 20 0 FHADLN Cc1noc(C)c1S(=O)(=O)Nc1cccnc1Nc1ccc(C)cc1 ZINC000182938202 929454787 /nfs/dbraw/zinc/45/47/87/929454787.db2.gz MHVQXSLVBOVKII-UHFFFAOYSA-N 0 2 358.423 3.539 20 0 FHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000180350221 929469582 /nfs/dbraw/zinc/46/95/82/929469582.db2.gz QKUDHBXMDIQCAQ-UHFFFAOYSA-N 0 2 369.446 3.574 20 0 FHADLN Cc1cc(Cl)c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1C ZINC000180372764 929485655 /nfs/dbraw/zinc/48/56/55/929485655.db2.gz DKOMCDOQLXINLG-UHFFFAOYSA-N 0 2 361.854 3.527 20 0 FHADLN CCOC(=O)c1csc([C@H](C#N)C(=O)CCCc2ccc(C)s2)n1 ZINC000080380604 929602206 /nfs/dbraw/zinc/60/22/06/929602206.db2.gz UTJAPTBWQONQPL-CYBMUJFWSA-N 0 2 362.476 3.889 20 0 FHADLN COc1cccc(-c2nc(=NC(=O)c3ccn(C(C)C)c3C)s[nH]2)c1 ZINC000579981009 929750286 /nfs/dbraw/zinc/75/02/86/929750286.db2.gz YGTIOSMLMZBGJN-UHFFFAOYSA-N 0 2 356.451 3.579 20 0 FHADLN Cc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cnn1C1CCCCC1 ZINC000510304710 929790939 /nfs/dbraw/zinc/79/09/39/929790939.db2.gz DRFVODSFZSSIEX-UHFFFAOYSA-N 0 2 367.478 3.889 20 0 FHADLN Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1)CC2 ZINC000122049545 929894951 /nfs/dbraw/zinc/89/49/51/929894951.db2.gz JFCGBHFFEYLFTP-UHFFFAOYSA-N 0 2 365.216 3.535 20 0 FHADLN CCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 ZINC000683714996 929904049 /nfs/dbraw/zinc/90/40/49/929904049.db2.gz JSLCXNBRQVTSKL-UHFFFAOYSA-N 0 2 357.435 3.717 20 0 FHADLN CCCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)s3)o2)cc1 ZINC000683715646 929904999 /nfs/dbraw/zinc/90/49/99/929904999.db2.gz UZEKXXUTZOTCNV-UHFFFAOYSA-N 0 2 363.464 3.860 20 0 FHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)[nH]n1 ZINC000471507543 930076177 /nfs/dbraw/zinc/07/61/77/930076177.db2.gz YKEBXYSACQXEKE-JTQLQIEISA-N 0 2 357.863 3.776 20 0 FHADLN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000728283067 930146842 /nfs/dbraw/zinc/14/68/42/930146842.db2.gz GILDFGBNIMQNEP-XJKSGUPXSA-N 0 2 373.522 3.794 20 0 FHADLN COc1cc(C)[nH+]c(CSc2n[n-]c(=Nc3cccc(F)c3)s2)c1 ZINC000536010830 937401789 /nfs/dbraw/zinc/40/17/89/937401789.db2.gz PSFBJKCBZAJSMS-UHFFFAOYSA-N 0 2 362.455 3.847 20 0 FHADLN Cc1csc(-c2ccc(S(=O)(=O)Nc3cc(C4CC4)n[nH]3)cc2)n1 ZINC000656184162 930537547 /nfs/dbraw/zinc/53/75/47/930537547.db2.gz HPEYVTZNSVPIQG-UHFFFAOYSA-N 0 2 360.464 3.520 20 0 FHADLN CC[NH+](CC)Cc1csc([N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000656185278 930542414 /nfs/dbraw/zinc/54/24/14/930542414.db2.gz SIRRUIGUERUTAD-UHFFFAOYSA-N 0 2 365.933 3.501 20 0 FHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c(F)c1 ZINC000471568490 930595012 /nfs/dbraw/zinc/59/50/12/930595012.db2.gz AFWHRXHYLIWXJA-UHFFFAOYSA-N 0 2 365.817 3.774 20 0 FHADLN O=S(=O)(Nc1cnc(C2CC2)nc1)c1ccc(Cl)c2ccccc21 ZINC000122793060 930731097 /nfs/dbraw/zinc/73/10/97/930731097.db2.gz KLYOKBWWSYSXJE-UHFFFAOYSA-N 0 2 359.838 3.961 20 0 FHADLN CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[nH]c1=S ZINC000198831487 930906720 /nfs/dbraw/zinc/90/67/20/930906720.db2.gz DQCWNVUDKCVVTP-LLVKDONJSA-N 0 2 373.503 3.974 20 0 FHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000122963897 930960739 /nfs/dbraw/zinc/96/07/39/930960739.db2.gz FEBAWJHJTIUSAC-UHFFFAOYSA-N 0 2 363.389 3.568 20 0 FHADLN O=C([O-])[C@@H](c1ccsc1)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000580652981 930967747 /nfs/dbraw/zinc/96/77/47/930967747.db2.gz OMXISFFXCNLJDE-CQSZACIVSA-N 0 2 368.252 3.531 20 0 FHADLN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000580652981 930967753 /nfs/dbraw/zinc/96/77/53/930967753.db2.gz OMXISFFXCNLJDE-CQSZACIVSA-N 0 2 368.252 3.531 20 0 FHADLN CC(C)(CC(F)(F)F)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000684062845 931175355 /nfs/dbraw/zinc/17/53/55/931175355.db2.gz KNJRLGJFXHLHAS-UHFFFAOYSA-N 0 2 361.751 3.692 20 0 FHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(Cl)s1 ZINC000055649364 931218227 /nfs/dbraw/zinc/21/82/27/931218227.db2.gz UORZRAMQRAVGMU-UHFFFAOYSA-N 0 2 357.819 3.527 20 0 FHADLN CSC[C@H]1CCCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000580969920 931428839 /nfs/dbraw/zinc/42/88/39/931428839.db2.gz JTEUQQBFFBVRFE-HNNXBMFYSA-N 0 2 373.522 3.917 20 0 FHADLN C[C@H](c1ccccc1)[N@@H+](Cc1noc(CCCC(=O)[O-])n1)CC1CCC1 ZINC000581016837 931473926 /nfs/dbraw/zinc/47/39/26/931473926.db2.gz IGBYLPNSJSJWHI-OAHLLOKOSA-N 0 2 357.454 3.840 20 0 FHADLN C[C@H](c1ccccc1)[N@H+](Cc1noc(CCCC(=O)[O-])n1)CC1CCC1 ZINC000581016837 931473932 /nfs/dbraw/zinc/47/39/32/931473932.db2.gz IGBYLPNSJSJWHI-OAHLLOKOSA-N 0 2 357.454 3.840 20 0 FHADLN CC(=Cc1ccc(C)cc1)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000588397610 931583899 /nfs/dbraw/zinc/58/38/99/931583899.db2.gz FFKLKCRCGZCCJV-RAXLEYEMSA-N 0 2 353.447 3.767 20 0 FHADLN Cc1ccc(NC(=O)[C@H](C)ONC(=O)C(C)(C)c2ccccc2)c(C)c1 ZINC000160804477 931662117 /nfs/dbraw/zinc/66/21/17/931662117.db2.gz FVBXDFMICKOMPQ-INIZCTEOSA-N 0 2 354.450 3.656 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@@H+]3CCSC[C@H]3C(=O)[O-])s2)cc1 ZINC000581322388 931833203 /nfs/dbraw/zinc/83/32/03/931833203.db2.gz XWPMLMGHGWYMCS-INIZCTEOSA-N 0 2 362.520 3.936 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@H+]3CCSC[C@H]3C(=O)[O-])s2)cc1 ZINC000581322388 931833210 /nfs/dbraw/zinc/83/32/10/931833210.db2.gz XWPMLMGHGWYMCS-INIZCTEOSA-N 0 2 362.520 3.936 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@@H+]3CCSC[C@@H]3C(=O)[O-])s2)cc1 ZINC000581322389 931833622 /nfs/dbraw/zinc/83/36/22/931833622.db2.gz XWPMLMGHGWYMCS-MRXNPFEDSA-N 0 2 362.520 3.936 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@H+]3CCSC[C@@H]3C(=O)[O-])s2)cc1 ZINC000581322389 931833627 /nfs/dbraw/zinc/83/36/27/931833627.db2.gz XWPMLMGHGWYMCS-MRXNPFEDSA-N 0 2 362.520 3.936 20 0 FHADLN CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1 ZINC000313243590 932014162 /nfs/dbraw/zinc/01/41/62/932014162.db2.gz IWXSZSFRCVNCSS-FMIVXFBMSA-N 0 2 363.410 3.511 20 0 FHADLN C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000581494345 932166868 /nfs/dbraw/zinc/16/68/68/932166868.db2.gz JGAJGLJTVSKNEK-MCFWBGNESA-N 0 2 365.882 3.969 20 0 FHADLN C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000581494345 932166870 /nfs/dbraw/zinc/16/68/70/932166870.db2.gz JGAJGLJTVSKNEK-MCFWBGNESA-N 0 2 365.882 3.969 20 0 FHADLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)c1 ZINC000656627236 932213303 /nfs/dbraw/zinc/21/33/03/932213303.db2.gz WFALEXVWAFBTOC-SECBINFHSA-N 0 2 359.398 3.634 20 0 FHADLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2scnc2C2CC2)c1 ZINC000656626867 932213455 /nfs/dbraw/zinc/21/34/55/932213455.db2.gz PQHFKXYJEAFXMH-LLVKDONJSA-N 0 2 352.481 3.999 20 0 FHADLN N=c1[n-]nc(C2CC[NH+](Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)o1 ZINC000639724507 932270910 /nfs/dbraw/zinc/27/09/10/932270910.db2.gz NLWVUVBDTDZLTB-UHFFFAOYSA-N 0 2 360.767 3.534 20 0 FHADLN CCc1ccc(C)nc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000656737699 932364316 /nfs/dbraw/zinc/36/43/16/932364316.db2.gz NFKXYNIJCCNVSL-UHFFFAOYSA-N 0 2 369.284 3.824 20 0 FHADLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc3c(n2)CCCC3=O)c1 ZINC000656734576 932365855 /nfs/dbraw/zinc/36/58/55/932365855.db2.gz LXKHAJLTXBVENN-CYBMUJFWSA-N 0 2 374.462 3.579 20 0 FHADLN CSc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1 ZINC000656736387 932367381 /nfs/dbraw/zinc/36/73/81/932367381.db2.gz CAPNDNVGVXATLA-UHFFFAOYSA-N 0 2 357.526 3.649 20 0 FHADLN Cc1csc(-c2ccc(S(=O)(=O)Nc3c[nH]nc3C3CC3)cc2)n1 ZINC000656739274 932370342 /nfs/dbraw/zinc/37/03/42/932370342.db2.gz HEKZPYJUFXZUKQ-UHFFFAOYSA-N 0 2 360.464 3.520 20 0 FHADLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(F)(F)F ZINC000581646204 932375570 /nfs/dbraw/zinc/37/55/70/932375570.db2.gz XGSRJQMIQUUJQY-UHFFFAOYSA-N 0 2 356.778 3.925 20 0 FHADLN O=C([O-])c1ccoc1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000656760154 932393725 /nfs/dbraw/zinc/39/37/25/932393725.db2.gz PRGTWEACFIDFRP-UHFFFAOYSA-N 0 2 355.221 3.607 20 0 FHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000650456238 932532077 /nfs/dbraw/zinc/53/20/77/932532077.db2.gz KGIDXYJLZDEXHJ-UHFFFAOYSA-N 0 2 357.838 3.671 20 0 FHADLN CSCc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)ccc1F ZINC000471787287 932921042 /nfs/dbraw/zinc/92/10/42/932921042.db2.gz MGSPPHSBHAKQIO-UHFFFAOYSA-N 0 2 359.451 3.881 20 0 FHADLN Cc1nc2ccccc2n1C1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000684499360 933151140 /nfs/dbraw/zinc/15/11/40/933151140.db2.gz RDSNWTHIZYIFFE-UHFFFAOYSA-N 0 2 371.387 3.806 20 0 FHADLN CO[C@@]1(C)CCCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CC1 ZINC000684505371 933210184 /nfs/dbraw/zinc/21/01/84/933210184.db2.gz UFHKTWJASCFFKU-NRFANRHFSA-N 0 2 371.481 3.733 20 0 FHADLN Cc1ccccc1[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000510583514 933237128 /nfs/dbraw/zinc/23/71/28/933237128.db2.gz JFYVFLQJKACPEW-MRXNPFEDSA-N 0 2 364.474 3.957 20 0 FHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC2CC2)CC2CCC2)=N1 ZINC000684530673 933539759 /nfs/dbraw/zinc/53/97/59/933539759.db2.gz SXMBTLMAWDYAHJ-UHFFFAOYSA-N 0 2 357.429 3.678 20 0 FHADLN COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431143550 933917274 /nfs/dbraw/zinc/91/72/74/933917274.db2.gz LBAJJMIJODKOEU-UHFFFAOYSA-N 0 2 367.492 3.616 20 0 FHADLN COCCn1ccc2ccc(NS(=O)(=O)c3sc(C)cc3C)cc21 ZINC000431170026 933991984 /nfs/dbraw/zinc/99/19/84/933991984.db2.gz VCLVRCFNFBANDM-UHFFFAOYSA-N 0 2 364.492 3.767 20 0 FHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431176842 934011908 /nfs/dbraw/zinc/01/19/08/934011908.db2.gz VSATVRXVAOREDS-LBPRGKRZSA-N 0 2 366.508 3.694 20 0 FHADLN Cc1cccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1Cl ZINC000471986634 934627092 /nfs/dbraw/zinc/62/70/92/934627092.db2.gz SCQYLENMUGFXIO-UHFFFAOYSA-N 0 2 350.198 3.947 20 0 FHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000582013317 934773710 /nfs/dbraw/zinc/77/37/10/934773710.db2.gz IJQVANJDAZWQPR-CEXWTWQISA-N 0 2 369.509 3.518 20 0 FHADLN COc1ccc([C@H](C)CSc2nc(=O)cc(O)n2C2CCCC2)cc1 ZINC000657243077 934820878 /nfs/dbraw/zinc/82/08/78/934820878.db2.gz KHMYOOZASWNRHQ-CYBMUJFWSA-N 0 2 360.479 3.968 20 0 FHADLN COc1ccc([C@@H](C)CSc2nc(=O)cc(O)n2C2CCCC2)cc1 ZINC000657243080 934820905 /nfs/dbraw/zinc/82/09/05/934820905.db2.gz KHMYOOZASWNRHQ-ZDUSSCGKSA-N 0 2 360.479 3.968 20 0 FHADLN 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CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737258543 600969485 /nfs/dbraw/zinc/96/94/85/600969485.db2.gz HQSZPMGMMLMFLP-OAHLLOKOSA-N 0 2 358.438 3.895 20 0 FHADLN CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737258543 600969488 /nfs/dbraw/zinc/96/94/88/600969488.db2.gz HQSZPMGMMLMFLP-OAHLLOKOSA-N 0 2 358.438 3.895 20 0 FHADLN C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000827664604 601011671 /nfs/dbraw/zinc/01/16/71/601011671.db2.gz IHNRFZHHKUJWEL-LBPRGKRZSA-N 0 2 368.368 3.592 20 0 FHADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000832914563 601120483 /nfs/dbraw/zinc/12/04/83/601120483.db2.gz DMKXQAANHXGSML-UHFFFAOYSA-N 0 2 352.390 3.510 20 0 FHADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000832914563 601120485 /nfs/dbraw/zinc/12/04/85/601120485.db2.gz DMKXQAANHXGSML-UHFFFAOYSA-N 0 2 352.390 3.510 20 0 FHADLN Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C(=O)[O-] ZINC000565105548 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369.465 3.516 20 0 FHADLN O=C([O-])[C@@]1(F)CC[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000833174673 601444670 /nfs/dbraw/zinc/44/46/70/601444670.db2.gz IOAGCSNDXJCBAP-GOSISDBHSA-N 0 2 351.324 3.756 20 0 FHADLN O=C([O-])[C@@]1(F)CC[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000833174673 601444673 /nfs/dbraw/zinc/44/46/73/601444673.db2.gz IOAGCSNDXJCBAP-GOSISDBHSA-N 0 2 351.324 3.756 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](CC(=O)[O-])C3)s2)cc1 ZINC000514866132 601569564 /nfs/dbraw/zinc/56/95/64/601569564.db2.gz HQTSHMLYKPSGDH-INIZCTEOSA-N 0 2 360.479 3.609 20 0 FHADLN CC(C)c1ccc(-c2ncc(C[N@H+]3CCO[C@@H](CC(=O)[O-])C3)s2)cc1 ZINC000514866132 601569568 /nfs/dbraw/zinc/56/95/68/601569568.db2.gz HQTSHMLYKPSGDH-INIZCTEOSA-N 0 2 360.479 3.609 20 0 FHADLN Cc1sc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c(C(=O)[O-])c1C ZINC000833033498 601611364 /nfs/dbraw/zinc/61/13/64/601611364.db2.gz BQPRKOJTKMVHHB-LLVKDONJSA-N 0 2 362.451 3.820 20 0 FHADLN Cc1sc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c(C(=O)[O-])c1C ZINC000833033498 601611366 /nfs/dbraw/zinc/61/13/66/601611366.db2.gz BQPRKOJTKMVHHB-LLVKDONJSA-N 0 2 362.451 3.820 20 0 FHADLN Cc1ccc(Nc2nc(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000579484185 601888031 /nfs/dbraw/zinc/88/80/31/601888031.db2.gz ICWSZNKMFTVRPJ-HNNXBMFYSA-N 0 2 363.508 3.587 20 0 FHADLN Cc1ccc(Nc2nc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000579484185 601888033 /nfs/dbraw/zinc/88/80/33/601888033.db2.gz ICWSZNKMFTVRPJ-HNNXBMFYSA-N 0 2 363.508 3.587 20 0 FHADLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000832995207 601903384 /nfs/dbraw/zinc/90/33/84/601903384.db2.gz UWFBJNARAADYBN-GOSISDBHSA-N 0 2 369.465 3.551 20 0 FHADLN O=C([O-])Nc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000740702756 602029796 /nfs/dbraw/zinc/02/97/96/602029796.db2.gz ICUYHUPNAHFHSG-UHFFFAOYSA-N 0 2 370.796 3.797 20 0 FHADLN O=C([O-])N[C@@H](CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000740538942 602467643 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VGSZMNFAZRCFIJ-QMMMGPOBSA-N 0 2 350.189 3.921 20 0 FHADLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000435145632 943205239 /nfs/dbraw/zinc/20/52/39/943205239.db2.gz SDDDKWHXXWKHFU-UHFFFAOYSA-N 0 2 363.389 3.568 20 0 FHADLN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414685773 943256760 /nfs/dbraw/zinc/25/67/60/943256760.db2.gz SZTZLVKFUVANQQ-LLVKDONJSA-N 0 2 366.259 3.524 20 0 FHADLN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414685773 943256766 /nfs/dbraw/zinc/25/67/66/943256766.db2.gz SZTZLVKFUVANQQ-LLVKDONJSA-N 0 2 366.259 3.524 20 0 FHADLN CN(C(=O)c1cc(F)c(O)c(F)c1)C1CCN(c2cccc(F)c2)CC1 ZINC000364007714 943313265 /nfs/dbraw/zinc/31/32/65/943313265.db2.gz XCLMOAKBJYXCIM-UHFFFAOYSA-N 0 2 364.367 3.551 20 0 FHADLN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)N=c1cccn[nH]1 ZINC000435606563 943513286 /nfs/dbraw/zinc/51/32/86/943513286.db2.gz XJHUIBFQTZQEAJ-IIBYNOLFSA-N 0 2 358.445 3.509 20 0 FHADLN CCc1cnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000435713172 943575311 /nfs/dbraw/zinc/57/53/11/943575311.db2.gz BKZQMASSKXSDLM-UHFFFAOYSA-N 0 2 355.243 3.952 20 0 FHADLN Cc1c2ccccc2[nH+]c(N2CCC(OCCOC(C)C)CC2)c1C(=O)[O-] ZINC000584783011 943601827 /nfs/dbraw/zinc/60/18/27/943601827.db2.gz ILBOURITSVKGGT-UHFFFAOYSA-N 0 2 372.465 3.652 20 0 FHADLN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1cccc2ccccc21 ZINC000584821085 943687964 /nfs/dbraw/zinc/68/79/64/943687964.db2.gz PYHRURRSPQCTTG-UHFFFAOYSA-N 0 2 374.487 3.991 20 0 FHADLN Cc1nc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)sc1C(=O)[O-] ZINC000417550919 943696392 /nfs/dbraw/zinc/69/63/92/943696392.db2.gz XQEDJQZNBQFSNR-UHFFFAOYSA-N 0 2 366.870 3.882 20 0 FHADLN Cc1cc([C@H]([NH2+]Cc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])ccc1Cl ZINC000417568834 943720307 /nfs/dbraw/zinc/72/03/07/943720307.db2.gz KWQRIUNOPZWYEE-GJZGRUSLSA-N 0 2 366.870 3.872 20 0 FHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1C(F)F ZINC000424086110 943722604 /nfs/dbraw/zinc/72/26/04/943722604.db2.gz QAJRVJDHTLBEPY-UHFFFAOYSA-N 0 2 357.426 3.894 20 0 FHADLN C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000417583019 943729551 /nfs/dbraw/zinc/72/95/51/943729551.db2.gz JKTYCXZQATUXPR-MFKMUULPSA-N 0 2 354.497 3.618 20 0 FHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCCC[C@@H]1C(F)F ZINC000504725575 943771443 /nfs/dbraw/zinc/77/14/43/943771443.db2.gz MBTMYTIDYSKZQQ-LLVKDONJSA-N 0 2 372.828 3.932 20 0 FHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000437415075 943788154 /nfs/dbraw/zinc/78/81/54/943788154.db2.gz VKXBWIPHTGGZEA-UHFFFAOYSA-N 0 2 365.817 3.774 20 0 FHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC4(CCC4(F)F)C3)=N2)c1 ZINC000516883977 943794227 /nfs/dbraw/zinc/79/42/27/943794227.db2.gz OJCGVULWCBBHCF-UHFFFAOYSA-N 0 2 361.392 3.573 20 0 FHADLN CC(C)Oc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)nc1 ZINC000435870530 943825774 /nfs/dbraw/zinc/82/57/74/943825774.db2.gz OATBLNLYQRPNNV-UHFFFAOYSA-N 0 2 374.853 3.715 20 0 FHADLN CC1(c2nc(=NC(=O)c3c(Cl)cccc3Br)s[nH]2)CC1 ZINC000628540818 943843347 /nfs/dbraw/zinc/84/33/47/943843347.db2.gz WWYQVSXYHLIDNG-UHFFFAOYSA-N 0 2 372.675 3.680 20 0 FHADLN CSc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436022097 943941658 /nfs/dbraw/zinc/94/16/58/943941658.db2.gz AHMKOYPVKCKRCB-UHFFFAOYSA-N 0 2 357.460 3.666 20 0 FHADLN CSCc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436019156 943958019 /nfs/dbraw/zinc/95/80/19/943958019.db2.gz MCLOLLFKWWQRGE-UHFFFAOYSA-N 0 2 371.487 3.807 20 0 FHADLN COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1F ZINC000436019861 943958868 /nfs/dbraw/zinc/95/88/68/943958868.db2.gz XJNRNCDBJNXJJC-UHFFFAOYSA-N 0 2 367.295 3.793 20 0 FHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)c(F)cc1F ZINC000517169144 944056963 /nfs/dbraw/zinc/05/69/63/944056963.db2.gz SBZQQKCPPGEMJU-UHFFFAOYSA-N 0 2 371.258 3.803 20 0 FHADLN CCc1ccc(S(=O)(=O)Nc2cccc(-n3nc(C)cc3C)c2)s1 ZINC000515629650 944063163 /nfs/dbraw/zinc/06/31/63/944063163.db2.gz IJKGHPBNJUIFFN-UHFFFAOYSA-N 0 2 361.492 3.914 20 0 FHADLN CC[C@@H](C)[C@@H](C(=O)N1CCC(c2n[nH]c(=S)o2)CC1)c1ccccc1 ZINC000364241478 944133910 /nfs/dbraw/zinc/13/39/10/944133910.db2.gz GSWLORCINHZHMP-CZUORRHYSA-N 0 2 359.495 3.894 20 0 FHADLN CCc1ccc2occ(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2c1 ZINC000505206923 944135564 /nfs/dbraw/zinc/13/55/64/944135564.db2.gz HNECFENFXRMBHP-UHFFFAOYSA-N 0 2 367.430 3.978 20 0 FHADLN O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(Br)c1O ZINC000517367096 944248287 /nfs/dbraw/zinc/24/82/87/944248287.db2.gz AYQOZNKUYWLAIK-UHFFFAOYSA-N 0 2 358.195 3.593 20 0 FHADLN O=C(NCCc1csc2ccccc12)C1=NN(c2ccccc2)CC1=O ZINC000439034616 944276315 /nfs/dbraw/zinc/27/63/15/944276315.db2.gz RJNGHJVFVCWJNF-UHFFFAOYSA-N 0 2 363.442 3.765 20 0 FHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000439038799 944279449 /nfs/dbraw/zinc/27/94/49/944279449.db2.gz KEFXOLWRMUCDPJ-DYESRHJHSA-N 0 2 361.470 3.860 20 0 FHADLN Cc1cc(C)c(OCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(C)c1 ZINC000518323391 944286810 /nfs/dbraw/zinc/28/68/10/944286810.db2.gz PTDWOZOCYFQTLK-UHFFFAOYSA-N 0 2 354.385 3.554 20 0 FHADLN Cn1c(CNC(=O)c2cc(F)cc(Cl)c2O)nc2cccc(Cl)c21 ZINC000439052260 944298763 /nfs/dbraw/zinc/29/87/63/944298763.db2.gz DQIOCUGTWLJODA-UHFFFAOYSA-N 0 2 368.195 3.655 20 0 FHADLN CCOc1ccncc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000436477337 944358514 /nfs/dbraw/zinc/35/85/14/944358514.db2.gz MBSXVESEPFLBEK-UHFFFAOYSA-N 0 2 374.384 3.776 20 0 FHADLN O=C(c1cc(F)c(O)c(F)c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000436521521 944390237 /nfs/dbraw/zinc/39/02/37/944390237.db2.gz FLXNXSTUCDHICR-UHFFFAOYSA-N 0 2 361.388 3.618 20 0 FHADLN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(F)c(O)c(F)c3)n2)cc1 ZINC000436528857 944396001 /nfs/dbraw/zinc/39/60/01/944396001.db2.gz YOFBRBFFVYSTEH-SNVBAGLBSA-N 0 2 373.359 3.774 20 0 FHADLN O=C(Nc1cccc(Cn2cncn2)c1)c1c(O)cc(Cl)cc1Cl ZINC000436553643 944412723 /nfs/dbraw/zinc/41/27/23/944412723.db2.gz DRWFBYVRJZMWIX-UHFFFAOYSA-N 0 2 363.204 3.591 20 0 FHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(-n2cccc2)c(F)c1 ZINC000517607592 944426168 /nfs/dbraw/zinc/42/61/68/944426168.db2.gz SIBYCPKOHVOGQU-UHFFFAOYSA-N 0 2 365.343 3.793 20 0 FHADLN COCCOc1cccc(NC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000436565749 944430357 /nfs/dbraw/zinc/43/03/57/944430357.db2.gz VUBFCFLJYXLRRE-UHFFFAOYSA-N 0 2 356.205 3.977 20 0 FHADLN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000439218850 944434775 /nfs/dbraw/zinc/43/47/75/944434775.db2.gz XKRAQFRNJJWPIB-XEZPLFJOSA-N 0 2 360.433 3.923 20 0 FHADLN O=C(Nc1nnc(CC(F)(F)F)s1)c1c(O)cc(Cl)cc1Cl ZINC000436596625 944440981 /nfs/dbraw/zinc/44/09/81/944440981.db2.gz MYSDAZJLIJWAMA-UHFFFAOYSA-N 0 2 372.155 3.908 20 0 FHADLN Cc1cc(F)cc2[nH]c(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)cc21 ZINC000439210965 944441013 /nfs/dbraw/zinc/44/10/13/944441013.db2.gz CNSLKJMFZMZBIV-UHFFFAOYSA-N 0 2 353.332 3.792 20 0 FHADLN CC(C)c1cccc(S(=O)(=O)Nc2noc(-c3ccccc3F)n2)c1 ZINC000517638576 944459170 /nfs/dbraw/zinc/45/91/70/944459170.db2.gz FNIKJJZCVYCDEU-UHFFFAOYSA-N 0 2 361.398 3.800 20 0 FHADLN CN(CCOc1cccc(Cl)c1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436633875 944474039 /nfs/dbraw/zinc/47/40/39/944474039.db2.gz JCBCNXLJIUBIKV-UHFFFAOYSA-N 0 2 358.196 3.989 20 0 FHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000436637629 944476183 /nfs/dbraw/zinc/47/61/83/944476183.db2.gz XKEKMINWNTXEBQ-LJQANCHMSA-N 0 2 361.800 3.846 20 0 FHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCO[C@H](C2CC2)C1 ZINC000436675530 944513862 /nfs/dbraw/zinc/51/38/62/944513862.db2.gz KTZOESFSXVEDMV-SFHVURJKSA-N 0 2 357.837 3.964 20 0 FHADLN O=S(=O)(Nc1cccc(Oc2ccncc2)c1)c1cc(F)ccc1F ZINC000112193252 944529895 /nfs/dbraw/zinc/52/98/95/944529895.db2.gz ZVUYMLJZQIHYAF-UHFFFAOYSA-N 0 2 362.357 3.953 20 0 FHADLN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436711224 944552168 /nfs/dbraw/zinc/55/21/68/944552168.db2.gz FNFICXJPCHTYBM-FSPWUOQZSA-N 0 2 361.388 3.752 20 0 FHADLN COc1ccc(CCCNC(=O)c2cc(F)cc(Cl)c2O)cc1OC ZINC000436771577 944600508 /nfs/dbraw/zinc/60/05/08/944600508.db2.gz AAHPUNKYVWUOCE-UHFFFAOYSA-N 0 2 367.804 3.565 20 0 FHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2OC)c1 ZINC000112266460 944617307 /nfs/dbraw/zinc/61/73/07/944617307.db2.gz LKLOEOGUUBSTSG-UHFFFAOYSA-N 0 2 362.234 3.811 20 0 FHADLN O=C(N=c1ccc(C2CC2)n[nH]1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000439451948 944635067 /nfs/dbraw/zinc/63/50/67/944635067.db2.gz NSSUUTLTJRHHDD-UHFFFAOYSA-N 0 2 363.248 3.894 20 0 FHADLN O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(F)c(O)c(F)c1 ZINC000436825775 944695411 /nfs/dbraw/zinc/69/54/11/944695411.db2.gz IGBKOLXZMJENIK-UHFFFAOYSA-N 0 2 350.752 3.709 20 0 FHADLN O=C(N[C@H]1CCC[C@H]1CCO)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436840001 944704908 /nfs/dbraw/zinc/70/49/08/944704908.db2.gz PKNVPMQGRVWTQA-KSSFIOAISA-N 0 2 359.853 3.994 20 0 FHADLN COC1CCC(CCNC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436846148 944712416 /nfs/dbraw/zinc/71/24/16/944712416.db2.gz AZHZTESGUYSMOX-UHFFFAOYSA-N 0 2 374.250 3.619 20 0 FHADLN CSCCCCCNC(=O)c1cc(F)cc(Br)c1O ZINC000436850522 944719788 /nfs/dbraw/zinc/71/97/88/944719788.db2.gz IFNINOOZIUGDNA-UHFFFAOYSA-N 0 2 350.253 3.557 20 0 FHADLN O=C(c1cc(F)cc(Br)c1O)N1CCc2cc(F)ccc2C1 ZINC000436851015 944719883 /nfs/dbraw/zinc/71/98/83/944719883.db2.gz KKDGFTIEBIDNID-UHFFFAOYSA-N 0 2 368.177 3.631 20 0 FHADLN CSc1ccc(NC(=O)c2cc(F)cc(Br)c2O)nc1 ZINC000436860107 944724421 /nfs/dbraw/zinc/72/44/21/944724421.db2.gz VKHWWOGBFWHFJK-UHFFFAOYSA-N 0 2 357.204 3.663 20 0 FHADLN Cn1c(CNC(=O)c2cc(F)cc(Cl)c2O)nc2cc(Cl)ccc21 ZINC000436866650 944732362 /nfs/dbraw/zinc/73/23/62/944732362.db2.gz ZIXYDXHOPRIGPI-UHFFFAOYSA-N 0 2 368.195 3.655 20 0 FHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCCc2occc2C1 ZINC000436923749 944809614 /nfs/dbraw/zinc/80/96/14/944809614.db2.gz DLSLUGOXRZNBCZ-UHFFFAOYSA-N 0 2 370.630 3.990 20 0 FHADLN COc1ccc([C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)C(=O)[O-])cc1F ZINC000426820972 944842667 /nfs/dbraw/zinc/84/26/67/944842667.db2.gz OUHBFPQBEDPYHL-AWEZNQCLSA-N 0 2 352.431 3.504 20 0 FHADLN O=S(=O)(Nc1ccccc1OC1CCCC1)c1cncc(Cl)c1 ZINC000507002435 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COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000833726824 605891352 /nfs/dbraw/zinc/89/13/52/605891352.db2.gz HTHWTQKXVTVBOA-IBGZPJMESA-N 0 2 357.450 3.672 20 0 FHADLN Clc1ccc2nc(Sc3ccc(Cl)c(-c4nn[nH]n4)n3)[nH]c2c1 ZINC000822582063 606440589 /nfs/dbraw/zinc/44/05/89/606440589.db2.gz PPTBZHYVJJGCFW-UHFFFAOYSA-N 0 2 364.221 3.596 20 0 FHADLN CC(C)n1c([C@H](C)Oc2cccc(Cl)c2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000582946593 936312058 /nfs/dbraw/zinc/31/20/58/936312058.db2.gz SBKSOOSSKXGODU-LBPRGKRZSA-N 0 2 360.849 3.551 20 0 FHADLN CCCc1nnc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)s1 ZINC000647268017 936351418 /nfs/dbraw/zinc/35/14/18/936351418.db2.gz MHTDHTVBUZNQNT-UHFFFAOYSA-N 0 2 369.512 3.598 20 0 FHADLN C[C@@H]1CC[C@@H](N(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000429603529 945065480 /nfs/dbraw/zinc/06/54/80/945065480.db2.gz SPICUBIKSXYHRN-GHMZBOCLSA-N 0 2 350.875 3.933 20 0 FHADLN Cc1c(NS(=O)(=O)CCCC2CCOCC2)onc1C1CCCCC1 ZINC000647275564 937119083 /nfs/dbraw/zinc/11/90/83/937119083.db2.gz 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ZINC000571291150 601887462 /nfs/dbraw/zinc/88/74/62/601887462.db2.gz MFNCCDQNIGIPSF-AWEZNQCLSA-N 0 2 363.508 3.587 20 0 FHADLN CC(C)CCC1CC[NH+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000826844626 601907768 /nfs/dbraw/zinc/90/77/68/601907768.db2.gz DBCUGPHTWBAHNY-UHFFFAOYSA-N 0 2 357.454 3.682 20 0 FHADLN C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739065500 601968870 /nfs/dbraw/zinc/96/88/70/601968870.db2.gz UDBYSIMMBARWHW-NWDGAFQWSA-N 0 2 352.385 3.567 20 0 FHADLN C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739065500 601968871 /nfs/dbraw/zinc/96/88/71/601968871.db2.gz UDBYSIMMBARWHW-NWDGAFQWSA-N 0 2 352.385 3.567 20 0 FHADLN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 ZINC000827711061 601974644 /nfs/dbraw/zinc/97/46/44/601974644.db2.gz YRQZWCWDDFOYNN-BMIGLBTASA-N 0 2 367.232 3.736 20 0 FHADLN O=C([O-])c1csc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000833341073 602183764 /nfs/dbraw/zinc/18/37/64/602183764.db2.gz 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