smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1F)C(C#N)C#N ZINC000001187574 219387441 /nfs/dbraw/zinc/38/74/41/219387441.db2.gz TZPOYSKAFIWLLS-MOPGFXCFSA-N 0 2 367.355 3.556 50 30 FHEALN O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1 ZINC000004602871 204150430 /nfs/dbraw/zinc/15/04/30/204150430.db2.gz CNMBANXIFWLIKG-VIZOYTHASA-N 0 2 366.127 3.722 50 30 FHEALN CC(C)c1ccc(NC(=O)CC2S/C(=N\N=C3CCCC3)NC2=O)cc1 ZINC000005408173 204207243 /nfs/dbraw/zinc/20/72/43/204207243.db2.gz HADZGZUVNVSFBJ-INIZCTEOSA-N 0 2 372.494 3.656 50 30 FHEALN CC(C)c1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCC3)NC2=O)cc1 ZINC000005408173 204207246 /nfs/dbraw/zinc/20/72/46/204207246.db2.gz HADZGZUVNVSFBJ-INIZCTEOSA-N 0 2 372.494 3.656 50 30 FHEALN Cc1ccc(C)c(NC(=O)CC2S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000004980144 206188368 /nfs/dbraw/zinc/18/83/68/206188368.db2.gz YDMXQWWQMIQPKB-INIZCTEOSA-N 0 2 359.495 3.552 50 30 FHEALN Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\C3CCCCC3)NC2=O)c1 ZINC000004980144 206188373 /nfs/dbraw/zinc/18/83/73/206188373.db2.gz YDMXQWWQMIQPKB-INIZCTEOSA-N 0 2 359.495 3.552 50 30 FHEALN CCOc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1OC(F)F ZINC000007503235 206232787 /nfs/dbraw/zinc/23/27/87/206232787.db2.gz XTOZZRUPIFMXMC-GQCTYLIASA-N 0 2 366.316 3.550 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC000023105863 263386918 /nfs/dbraw/zinc/38/69/18/263386918.db2.gz FZXMHWYALSJXFD-SNVBAGLBSA-N 0 2 357.382 3.834 50 30 FHEALN Cc1csc([C@H](C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC000023105863 263386920 /nfs/dbraw/zinc/38/69/20/263386920.db2.gz FZXMHWYALSJXFD-SNVBAGLBSA-N 0 2 357.382 3.834 50 30 FHEALN O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000299738315 527121132 /nfs/dbraw/zinc/12/11/32/527121132.db2.gz UHUSGKMONAQNMY-BASWHVEKSA-N 0 2 368.128 3.929 50 30 FHEALN O=C(NS(=O)(=O)c1cccnc1)c1ccc(OCC2CCCCC2)cc1 ZINC000066002937 527161544 /nfs/dbraw/zinc/16/15/44/527161544.db2.gz BACJGZHVUNRGOY-UHFFFAOYSA-N 0 2 374.462 3.734 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(C)C2=O)c1 ZINC000100261454 570502221 /nfs/dbraw/zinc/50/22/21/570502221.db2.gz FTVSURKUBFWWAN-YGCDDZCOSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(C)C2=O)c1 ZINC000100261454 570502227 /nfs/dbraw/zinc/50/22/27/570502227.db2.gz FTVSURKUBFWWAN-YGCDDZCOSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 ZINC000012462814 570748244 /nfs/dbraw/zinc/74/82/44/570748244.db2.gz YCVJINLTCYZHHM-QKDOTCOFSA-N 0 2 371.437 3.724 50 30 FHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 ZINC000012462814 570748247 /nfs/dbraw/zinc/74/82/47/570748247.db2.gz YCVJINLTCYZHHM-QKDOTCOFSA-N 0 2 371.437 3.724 50 30 FHEALN COc1ccc(N=CC2C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])c1 ZINC000012524414 570749159 /nfs/dbraw/zinc/74/91/59/570749159.db2.gz GJMYZTQCUKZMQF-YBFXNURJSA-N 0 2 352.350 3.554 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1C ZINC000017242367 570871188 /nfs/dbraw/zinc/87/11/88/570871188.db2.gz HOCMQSVJICGHOZ-MRXNPFEDSA-N 0 2 353.447 3.551 50 30 FHEALN C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002479166 571124941 /nfs/dbraw/zinc/12/49/41/571124941.db2.gz LQGJBOVUXDISQT-UHFFFAOYSA-N 0 2 374.853 3.682 50 30 FHEALN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000076059530 571320084 /nfs/dbraw/zinc/32/00/84/571320084.db2.gz JOVKUGDCMDYMIA-UHFFFAOYSA-N 0 2 366.446 3.729 50 30 FHEALN CCCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000021658751 571335387 /nfs/dbraw/zinc/33/53/87/571335387.db2.gz IXYRMKKRSKTSKQ-GFCCVEGCSA-N 0 2 357.435 3.545 50 30 FHEALN CC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C)[nH]n1 ZINC000100314770 929402905 /nfs/dbraw/zinc/40/29/05/929402905.db2.gz UYIXQQPGWUSDJI-YWEYNIOJSA-N 0 2 366.208 3.747 50 30 FHEALN CCCCCCCCOc1ccc(Cc2c(O)n(C)c(=O)n(C)c2=O)cc1 ZINC000002051724 204024738 /nfs/dbraw/zinc/02/47/38/204024738.db2.gz ZNEGOCGGTGQMGW-UHFFFAOYSA-N 0 2 374.481 3.635 50 30 FHEALN CCc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1 ZINC000003312772 204089776 /nfs/dbraw/zinc/08/97/76/204089776.db2.gz PFAKJVBZZMHRNI-UHFFFAOYSA-N 0 2 358.397 3.517 50 30 FHEALN O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(O)c1 ZINC000004460301 204139678 /nfs/dbraw/zinc/13/96/78/204139678.db2.gz SOMCSFNHZJCQEO-VIZOYTHASA-N 0 2 366.127 3.722 50 30 FHEALN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1c(C)cc(C)cc1C ZINC000005022577 204184893 /nfs/dbraw/zinc/18/48/93/204184893.db2.gz IJDHFUSWEPGFIA-DYTRJAOYSA-N 0 2 365.393 3.711 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000007883600 204309949 /nfs/dbraw/zinc/30/99/49/204309949.db2.gz NJPHXKIFXGJEQW-ZBBYCGENSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1/S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000007883600 204309960 /nfs/dbraw/zinc/30/99/60/204309960.db2.gz NJPHXKIFXGJEQW-ZBBYCGENSA-N 0 2 355.463 3.508 50 30 FHEALN Cc1cccc(C)c1/N=C1\NC(=O)C(CC(=O)Nc2ccccc2)S1 ZINC000007883506 204310522 /nfs/dbraw/zinc/31/05/22/204310522.db2.gz FXFHXLOPJAOYPH-OAHLLOKOSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1cccc(C)c1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1 ZINC000007883506 204310524 /nfs/dbraw/zinc/31/05/24/204310524.db2.gz FXFHXLOPJAOYPH-OAHLLOKOSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1ccc(-n2nc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 ZINC000041560233 205091514 /nfs/dbraw/zinc/09/15/14/205091514.db2.gz HLMCJXLDTSQZPY-SFHVURJKSA-N 0 2 371.444 3.566 50 30 FHEALN Cc1ccc(-n2nc(C(=O)C(C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 ZINC000041560233 205091517 /nfs/dbraw/zinc/09/15/17/205091517.db2.gz HLMCJXLDTSQZPY-SFHVURJKSA-N 0 2 371.444 3.566 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000018077916 525090414 /nfs/dbraw/zinc/09/04/14/525090414.db2.gz PTPNUYVYQOZKIP-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(C)C2=O)c(C)c1 ZINC000016949044 570470558 /nfs/dbraw/zinc/47/05/58/570470558.db2.gz KQDGRFGVLJVEQJ-UNEBPCJRSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(C)C2=O)c(C)c1 ZINC000016949044 570470561 /nfs/dbraw/zinc/47/05/61/570470561.db2.gz KQDGRFGVLJVEQJ-UNEBPCJRSA-N 0 2 367.474 3.894 50 30 FHEALN COc1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000102423452 570515307 /nfs/dbraw/zinc/51/53/07/570515307.db2.gz KNUBYNAGYIYMDU-LZYBPNLTSA-N 0 2 351.156 3.822 50 30 FHEALN CSC(=S)Nc1ccc(S(=O)(=O)N=C(SC)SC)cc1 ZINC000141072217 570630574 /nfs/dbraw/zinc/63/05/74/570630574.db2.gz BTZGWHCSRGKELG-UHFFFAOYSA-N 0 2 366.580 3.517 50 30 FHEALN COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000018322986 570823329 /nfs/dbraw/zinc/82/33/29/570823329.db2.gz WPROYJVVXSOJPW-KRWDZBQOSA-N 0 2 357.793 3.838 50 30 FHEALN Cc1cccc(C)c1NC(=O)CC1S/C(=N\C2CCCCC2)NC1=O ZINC000017242621 570871308 /nfs/dbraw/zinc/87/13/08/570871308.db2.gz QDOCKAJYKHIDRL-HNNXBMFYSA-N 0 2 359.495 3.552 50 30 FHEALN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\C2CCCCC2)NC1=O ZINC000017242621 570871313 /nfs/dbraw/zinc/87/13/13/570871313.db2.gz QDOCKAJYKHIDRL-HNNXBMFYSA-N 0 2 359.495 3.552 50 30 FHEALN Cc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(C)C1=O ZINC000252604588 571284869 /nfs/dbraw/zinc/28/48/69/571284869.db2.gz GAPMVMWPPHTNGD-INIZCTEOSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1ccccc1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C)C1=O ZINC000252604588 571284870 /nfs/dbraw/zinc/28/48/70/571284870.db2.gz GAPMVMWPPHTNGD-INIZCTEOSA-N 0 2 353.447 3.585 50 30 FHEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(F)c1 ZINC000096336098 571335491 /nfs/dbraw/zinc/33/54/91/571335491.db2.gz SFZFHOQDHGYGTI-CQSZACIVSA-N 0 2 370.361 3.658 50 30 FHEALN COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O ZINC000004150696 204125099 /nfs/dbraw/zinc/12/50/99/204125099.db2.gz SSWMGFVMYCIRJD-DJKKODMXSA-N 0 2 357.391 3.872 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1 ZINC000005126901 524606028 /nfs/dbraw/zinc/60/60/28/524606028.db2.gz KVGMFAJWSVGADW-QGZVFWFLSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1 ZINC000005126901 524606051 /nfs/dbraw/zinc/60/60/51/524606051.db2.gz KVGMFAJWSVGADW-QGZVFWFLSA-N 0 2 367.474 3.860 50 30 FHEALN N#C[C@H](C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl ZINC000011692173 526505694 /nfs/dbraw/zinc/50/56/94/526505694.db2.gz NCDISMGNCKMIBY-AWEZNQCLSA-N 0 2 354.841 3.897 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(C)C2=O)c1 ZINC000100261450 570502320 /nfs/dbraw/zinc/50/23/20/570502320.db2.gz FTVSURKUBFWWAN-QQMHEVNUSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(C)C2=O)c1 ZINC000100261450 570502322 /nfs/dbraw/zinc/50/23/22/570502322.db2.gz FTVSURKUBFWWAN-QQMHEVNUSA-N 0 2 353.447 3.585 50 30 FHEALN CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C/N(C)C)c1O)CCCC3 ZINC000011866519 570597796 /nfs/dbraw/zinc/59/77/96/570597796.db2.gz IHQBKWUVZABPFL-ZHACJKMWSA-N 0 2 355.434 3.588 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000012624262 570753877 /nfs/dbraw/zinc/75/38/77/570753877.db2.gz NKTXCZVERSECAY-QBNCKDSPSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000012624262 570753881 /nfs/dbraw/zinc/75/38/81/570753881.db2.gz NKTXCZVERSECAY-QBNCKDSPSA-N 0 2 355.463 3.508 50 30 FHEALN COc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000095215270 571328751 /nfs/dbraw/zinc/32/87/51/571328751.db2.gz AMUSYDVGRGMDKP-DARPEHSRSA-N 0 2 370.412 3.914 50 30 FHEALN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc2sc(N3CCCC3)nc2s1 ZINC000330001971 944319723 /nfs/dbraw/zinc/31/97/23/944319723.db2.gz AQOWRHHVSGQHLW-UHFFFAOYSA-N 0 2 374.495 3.980 50 30 FHEALN Cc1cc(O)c(C(=O)/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000227173081 203880121 /nfs/dbraw/zinc/88/01/21/203880121.db2.gz SVYBKGVKYJVONS-NYYLHBDNSA-N 0 2 353.330 3.571 50 30 FHEALN COc1ccc(-c2nc(SCc3ccc(C#N)cc3)[nH]c(=O)c2C#N)cc1 ZINC000006009113 204233704 /nfs/dbraw/zinc/23/37/04/204233704.db2.gz FBIABUCJZGOTPN-UHFFFAOYSA-N 0 2 374.425 3.893 50 30 FHEALN COc1ccc(-c2nc(SCc3nc(C)c(C)o3)[nH]c(=O)c2C#N)cc1 ZINC000058167178 205252462 /nfs/dbraw/zinc/25/24/62/205252462.db2.gz KHSLOHXNWOLXHX-UHFFFAOYSA-N 0 2 368.418 3.627 50 30 FHEALN CC/N=C1\SC(CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000100951535 205952406 /nfs/dbraw/zinc/95/24/06/205952406.db2.gz NKTXCZVERSECAY-DVSFIDLUSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000100951535 205952410 /nfs/dbraw/zinc/95/24/10/205952410.db2.gz NKTXCZVERSECAY-DVSFIDLUSA-N 0 2 355.463 3.508 50 30 FHEALN Cc1cc(O)c(C(=O)C=Cc2csc(-c3ccc(Cl)cc3)n2)c(=O)o1 ZINC000105640403 206008908 /nfs/dbraw/zinc/00/89/08/206008908.db2.gz YCWNWTIWLGLHOX-MWWKQMNYSA-N 0 2 373.817 3.692 50 30 FHEALN O=C(C[C@@H]1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccccc1 ZINC000004537216 206180953 /nfs/dbraw/zinc/18/09/53/206180953.db2.gz ZPQCNZQTZQYWTL-YODDIOPGSA-N 0 2 371.849 3.535 50 30 FHEALN O=C(CC1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccccc1 ZINC000004537216 206180960 /nfs/dbraw/zinc/18/09/60/206180960.db2.gz ZPQCNZQTZQYWTL-YODDIOPGSA-N 0 2 371.849 3.535 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1 ZINC000005126902 524606792 /nfs/dbraw/zinc/60/67/92/524606792.db2.gz KVGMFAJWSVGADW-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1 ZINC000005126902 524606800 /nfs/dbraw/zinc/60/68/00/524606800.db2.gz KVGMFAJWSVGADW-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN C[C@@H]1CC[C@](C#N)(c2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172621 570510679 /nfs/dbraw/zinc/51/06/79/570510679.db2.gz QMTTTYCGJUXRGP-ZHRRBRCNSA-N 0 2 359.429 3.928 50 30 FHEALN CC(C)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004738548 570603901 /nfs/dbraw/zinc/60/39/01/570603901.db2.gz STTCSXQUCAZWBA-CBVHTYNASA-N 0 2 367.380 3.551 50 30 FHEALN COc1ccc(-c2csc(NN=C3C(=O)Nc4ccccc43)n2)cc1 ZINC000016739923 570860990 /nfs/dbraw/zinc/86/09/90/570860990.db2.gz VNAFIRMQVZHMFW-UHFFFAOYSA-N 0 2 350.403 3.658 50 30 FHEALN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCc1ccc(Cl)cc1 ZINC000109926521 571114592 /nfs/dbraw/zinc/11/45/92/571114592.db2.gz ZVLJGECRLJAWDS-JAIQZWGSSA-N 0 2 370.796 3.655 50 30 FHEALN COc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000252459967 571278904 /nfs/dbraw/zinc/27/89/04/571278904.db2.gz AMUSYDVGRGMDKP-UHFFFAOYSA-N 0 2 370.412 3.914 50 30 FHEALN CC(C)c1csc(C(C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456080 571329543 /nfs/dbraw/zinc/32/95/43/571329543.db2.gz GSIVMZUYRWQYKC-AWEZNQCLSA-N 0 2 355.463 3.714 50 30 FHEALN CC(C)c1csc([C@@H](C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456080 571329544 /nfs/dbraw/zinc/32/95/44/571329544.db2.gz GSIVMZUYRWQYKC-AWEZNQCLSA-N 0 2 355.463 3.714 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2[nH]c1=S ZINC000004192304 571356682 /nfs/dbraw/zinc/35/66/82/571356682.db2.gz NLGDTSWCMFEWJZ-WOSRLPQWSA-N 0 2 371.506 3.800 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3c(C)cccc3C)S2)cc1 ZINC000015231743 204607607 /nfs/dbraw/zinc/60/76/07/204607607.db2.gz RSVCNSSIEDEDGB-INIZCTEOSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3c(C)cccc3C)S2)cc1 ZINC000015231743 204607615 /nfs/dbraw/zinc/60/76/15/204607615.db2.gz RSVCNSSIEDEDGB-INIZCTEOSA-N 0 2 367.474 3.860 50 30 FHEALN CCOc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1O ZINC000036032844 205001315 /nfs/dbraw/zinc/00/13/15/205001315.db2.gz IGUAOEMDUDOUQH-RQZCQDPDSA-N 0 2 358.379 3.755 50 30 FHEALN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc([N+](=O)[O-])c1O ZINC000036032844 205001320 /nfs/dbraw/zinc/00/13/20/205001320.db2.gz IGUAOEMDUDOUQH-RQZCQDPDSA-N 0 2 358.379 3.755 50 30 FHEALN CCCC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CCCC ZINC000100177120 206222202 /nfs/dbraw/zinc/22/22/02/206222202.db2.gz NGWBXNKZVBQWIZ-ZBBYCGENSA-N 0 2 361.511 3.915 50 30 FHEALN CCCC/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC ZINC000100177120 206222206 /nfs/dbraw/zinc/22/22/06/206222206.db2.gz NGWBXNKZVBQWIZ-ZBBYCGENSA-N 0 2 361.511 3.915 50 30 FHEALN O=C1/C(=N\O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 ZINC000100897574 206225151 /nfs/dbraw/zinc/22/51/51/206225151.db2.gz 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O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2I)c1 ZINC000016310554 570854335 /nfs/dbraw/zinc/85/43/35/570854335.db2.gz FXDSSIYMPPYEIF-OVCLIPMQSA-N 0 2 368.130 3.656 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000104134917 570857240 /nfs/dbraw/zinc/85/72/40/570857240.db2.gz NLGDTSWCMFEWJZ-DVOMOZLQSA-N 0 2 371.506 3.800 50 30 FHEALN Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C=Cc1cccc2ccccc12 ZINC000048534690 570957110 /nfs/dbraw/zinc/95/71/10/570957110.db2.gz RKDJPZRKJIWLSO-QXMHVHEDSA-N 0 2 369.446 3.549 50 30 FHEALN O=[N+]([O-])c1ccc(O)c(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000000847814 571093139 /nfs/dbraw/zinc/09/31/39/571093139.db2.gz TWRBMNAHAUGVAX-FBCYGCLPSA-N 0 2 350.256 3.946 50 30 FHEALN O=C(NC1CCCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002147485 204027699 /nfs/dbraw/zinc/02/76/99/204027699.db2.gz DSXFWEWRTUHFOG-LLVKDONJSA-N 0 2 373.215 3.630 50 30 FHEALN COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000005669046 204219775 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Cc1csc(C(C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 ZINC000009949635 263363310 /nfs/dbraw/zinc/36/33/10/263363310.db2.gz BZRFJXKLRHHADM-CYBMUJFWSA-N 0 2 360.460 3.581 50 30 FHEALN Cc1csc([C@H](C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 ZINC000009949635 263363313 /nfs/dbraw/zinc/36/33/13/263363313.db2.gz BZRFJXKLRHHADM-CYBMUJFWSA-N 0 2 360.460 3.581 50 30 FHEALN CCOC(=O)c1scnc1/C=C/C(=O)c1cccc(C(F)(F)F)c1O ZINC000328597919 521620329 /nfs/dbraw/zinc/62/03/29/521620329.db2.gz JIYGCHJYCGWRKV-VOTSOKGWSA-N 0 2 371.336 3.940 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3C)NC2=O)c1 ZINC000017242356 524606760 /nfs/dbraw/zinc/60/67/60/524606760.db2.gz HTLUCSQRZVRVET-INIZCTEOSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)NC2=O)c1 ZINC000017242356 524606767 /nfs/dbraw/zinc/60/67/67/524606767.db2.gz HTLUCSQRZVRVET-INIZCTEOSA-N 0 2 353.447 3.551 50 30 FHEALN COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000019945635 525774973 /nfs/dbraw/zinc/77/49/73/525774973.db2.gz 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571164003 /nfs/dbraw/zinc/16/40/03/571164003.db2.gz MVGWZJYGXYMEQR-OVCLIPMQSA-N 0 2 368.130 3.656 50 30 FHEALN C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000002421021 571321870 /nfs/dbraw/zinc/32/18/70/571321870.db2.gz BMYCFCDZTFJAHU-UHFFFAOYSA-N 0 2 368.462 3.645 50 30 FHEALN Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n([C@@H](C)c3ccccc3)c2)c1 ZINC000003292130 204089182 /nfs/dbraw/zinc/08/91/82/204089182.db2.gz NSZNMFRBXOKLGO-HNNXBMFYSA-N 0 2 358.397 3.574 50 30 FHEALN O=C(CC1S/C(=N\C2CCCC2)NC1=O)Nc1ccc2ccccc2c1 ZINC000007850502 204309376 /nfs/dbraw/zinc/30/93/76/204309376.db2.gz CKBVKTDGBFUWHR-QGZVFWFLSA-N 0 2 367.474 3.699 50 30 FHEALN O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc2ccccc2c1 ZINC000007850502 204309381 /nfs/dbraw/zinc/30/93/81/204309381.db2.gz CKBVKTDGBFUWHR-QGZVFWFLSA-N 0 2 367.474 3.699 50 30 FHEALN C=CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000055414473 518782749 /nfs/dbraw/zinc/78/27/49/518782749.db2.gz ZXVDIQSAZPHJKJ-UHFFFAOYSA-N 0 2 350.393 3.804 50 30 FHEALN 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C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[nH]c1=S ZINC000012609387 571190960 /nfs/dbraw/zinc/19/09/60/571190960.db2.gz UVZLHRBNAGYPAU-UHFFFAOYSA-N 0 2 351.431 3.806 50 30 FHEALN CCCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000021658753 571335429 /nfs/dbraw/zinc/33/54/29/571335429.db2.gz IXYRMKKRSKTSKQ-LBPRGKRZSA-N 0 2 357.435 3.545 50 30 FHEALN FC(F)C1N=NC(=S)N1N=Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000002790098 571340978 /nfs/dbraw/zinc/34/09/78/571340978.db2.gz JUNOHYUZYGIIOV-PTXOJBNSSA-N 0 2 370.278 3.623 50 30 FHEALN Cc1cc(O)c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1 ZINC000105640068 209267592 /nfs/dbraw/zinc/26/75/92/209267592.db2.gz OFVYMERWRCFUDH-XOWYPZSQSA-N 0 2 356.761 3.828 50 30 FHEALN Cc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(C)C1=O ZINC000103775694 209254463 /nfs/dbraw/zinc/25/44/63/209254463.db2.gz GAPMVMWPPHTNGD-JVMRMLDLSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(C)C1=O ZINC000103775694 209254476 /nfs/dbraw/zinc/25/44/76/209254476.db2.gz 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Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n([C@H](C)c3ccccc3)c2)c1 ZINC000003292132 571346830 /nfs/dbraw/zinc/34/68/30/571346830.db2.gz NSZNMFRBXOKLGO-OAHLLOKOSA-N 0 2 358.397 3.574 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2[nH]c1=S ZINC000004192303 571356633 /nfs/dbraw/zinc/35/66/33/571356633.db2.gz NLGDTSWCMFEWJZ-XJKCOSOUSA-N 0 2 371.506 3.800 50 30 FHEALN CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1F)C(C#N)C#N ZINC000001187571 206865838 /nfs/dbraw/zinc/86/58/38/206865838.db2.gz TZPOYSKAFIWLLS-RTBURBONSA-N 0 2 367.355 3.556 50 30 FHEALN O=C(C[C@@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccccc1 ZINC000004537240 527142290 /nfs/dbraw/zinc/14/22/90/527142290.db2.gz KZIVHEADLFJBOP-JVDGOSLMSA-N 0 2 363.442 3.546 50 30 FHEALN O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccccc1 ZINC000004537240 527142299 /nfs/dbraw/zinc/14/22/99/527142299.db2.gz KZIVHEADLFJBOP-JVDGOSLMSA-N 0 2 363.442 3.546 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000012624264 570753827 /nfs/dbraw/zinc/75/38/27/570753827.db2.gz NKTXCZVERSECAY-ZBBYCGENSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc32)C(=O)N1CC ZINC000012624264 570753833 /nfs/dbraw/zinc/75/38/33/570753833.db2.gz NKTXCZVERSECAY-ZBBYCGENSA-N 0 2 355.463 3.508 50 30 FHEALN COc1cccc(C(=O)C=C(O)C(=O)C=C(O)c2cccc(OC)c2)c1 ZINC000101081694 570806063 /nfs/dbraw/zinc/80/60/63/570806063.db2.gz IKVZCMWXBWQGIN-AYKLPDECSA-N 0 2 354.358 3.653 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2[nH]c1=S ZINC000012609157 571190658 /nfs/dbraw/zinc/19/06/58/571190658.db2.gz KLUOEAJKQKUZFK-UHFFFAOYSA-N 0 2 367.430 3.506 50 30 FHEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1)C(C)C ZINC000252628960 571289418 /nfs/dbraw/zinc/28/94/18/571289418.db2.gz TVOGTZZDJQYQEY-CYBMUJFWSA-N 0 2 350.419 3.614 50 30 FHEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)C ZINC000252628960 571289419 /nfs/dbraw/zinc/28/94/19/571289419.db2.gz TVOGTZZDJQYQEY-CYBMUJFWSA-N 0 2 350.419 3.614 50 30 FHEALN O=c1[nH]c(NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000004158765 571356244 /nfs/dbraw/zinc/35/62/44/571356244.db2.gz QQPOPYVTSLVVNO-DJKKODMXSA-N 0 2 360.204 3.585 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000101662208 209229671 /nfs/dbraw/zinc/22/96/71/209229671.db2.gz FYXSZKMLJVUXCJ-ZSPVLXODSA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000101662208 209229673 /nfs/dbraw/zinc/22/96/73/209229673.db2.gz FYXSZKMLJVUXCJ-ZSPVLXODSA-N 0 2 374.293 3.662 50 30 FHEALN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000100713232 209216149 /nfs/dbraw/zinc/21/61/49/209216149.db2.gz JZDGPWYKQKRMMW-LJQANCHMSA-N 0 2 373.372 3.590 50 30 FHEALN O=c1[nH]c(NN=Cc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000004813123 207051874 /nfs/dbraw/zinc/05/18/74/207051874.db2.gz ALAICRABIBNBPB-OCKHKDLRSA-N 0 2 360.204 3.585 50 30 FHEALN N#Cc1c(=O)[nH]c(SCC(=O)c2cccs2)nc1-c1ccccc1 ZINC000031773590 208017771 /nfs/dbraw/zinc/01/77/71/208017771.db2.gz WPUWTVBDBPZYDE-UHFFFAOYSA-N 0 2 353.428 3.757 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cccs3)o2)n1 ZINC000023105211 263386748 /nfs/dbraw/zinc/38/67/48/263386748.db2.gz XPLSMBWKTNDXOY-VIFPVBQESA-N 0 2 362.461 3.532 50 30 FHEALN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)o2)n1 ZINC000023105211 263386753 /nfs/dbraw/zinc/38/67/53/263386753.db2.gz XPLSMBWKTNDXOY-VIFPVBQESA-N 0 2 362.461 3.532 50 30 FHEALN CCCC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1CCCC ZINC000015466793 519887510 /nfs/dbraw/zinc/88/75/10/519887510.db2.gz NGWBXNKZVBQWIZ-JVMRMLDLSA-N 0 2 361.511 3.915 50 30 FHEALN CCCC/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CCCC ZINC000015466793 519887511 /nfs/dbraw/zinc/88/75/11/519887511.db2.gz NGWBXNKZVBQWIZ-JVMRMLDLSA-N 0 2 361.511 3.915 50 30 FHEALN CCCCCCNC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000005826015 520084959 /nfs/dbraw/zinc/08/49/59/520084959.db2.gz KJENZKOMJGIPLH-CQSZACIVSA-N 0 2 367.902 3.646 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000018077919 525092186 /nfs/dbraw/zinc/09/21/86/525092186.db2.gz PTPNUYVYQOZKIP-QGZVFWFLSA-N 0 2 367.474 3.860 50 30 FHEALN N#CCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000020628859 568014254 /nfs/dbraw/zinc/01/42/54/568014254.db2.gz ITOFEGJZMMMCRK-UHFFFAOYSA-N 0 2 363.247 3.758 50 30 FHEALN N#C[C@@H]1C(=O)NC(Nc2ccc(Cl)cc2Cl)=NC12CCCCC2 ZINC000017879177 570766737 /nfs/dbraw/zinc/76/67/37/570766737.db2.gz MGFOGNJERBIHMH-LLVKDONJSA-N 0 2 351.237 3.734 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 ZINC000018277078 570816358 /nfs/dbraw/zinc/81/63/58/570816358.db2.gz GKSZUOGXZJGUPB-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 ZINC000018277078 570816362 /nfs/dbraw/zinc/81/63/62/570816362.db2.gz GKSZUOGXZJGUPB-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN O=C(C[C@H]1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccccc1 ZINC000004537215 570819688 /nfs/dbraw/zinc/81/96/88/570819688.db2.gz ZPQCNZQTZQYWTL-MBTVCVBTSA-N 0 2 371.849 3.535 50 30 FHEALN O=C(CC1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccccc1 ZINC000004537215 570819689 /nfs/dbraw/zinc/81/96/89/570819689.db2.gz ZPQCNZQTZQYWTL-MBTVCVBTSA-N 0 2 371.849 3.535 50 30 FHEALN N#C[C@@H](C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2s1 ZINC000048824862 570960300 /nfs/dbraw/zinc/96/03/00/570960300.db2.gz PPJVCQJLYMZCOT-LBPRGKRZSA-N 0 2 367.396 3.747 50 30 FHEALN N#CC(C(=O)C1CCN(CC(F)(F)F)CC1)c1nc2ccccc2s1 ZINC000048824862 570960302 /nfs/dbraw/zinc/96/03/02/570960302.db2.gz PPJVCQJLYMZCOT-LBPRGKRZSA-N 0 2 367.396 3.747 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)NCC3CCCCC3)cc2[nH]c1=S ZINC000006510893 571206403 /nfs/dbraw/zinc/20/64/03/571206403.db2.gz MOEVUTBQDSUABA-UHFFFAOYSA-N 0 2 357.479 3.555 50 30 FHEALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)s2)c1C ZINC000065031318 571250910 /nfs/dbraw/zinc/25/09/10/571250910.db2.gz XHWVHSZCXXBYTH-UHFFFAOYSA-N 0 2 359.432 3.692 50 30 FHEALN O=[N+]([O-])c1ccc(O)c(C=NNC(=Nc2ccccc2)c2ccccn2)c1 ZINC000003113528 571344820 /nfs/dbraw/zinc/34/48/20/571344820.db2.gz CENUMSIJNZKJNT-FYJGNVAPSA-N 0 2 361.361 3.588 50 30 FHEALN C/C(=N\O)c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C ZINC000001048636 219358572 /nfs/dbraw/zinc/35/85/72/219358572.db2.gz UQPGMUIRIKLNKP-AERZKKPOSA-N 0 2 352.238 3.812 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000101662213 209228522 /nfs/dbraw/zinc/22/85/22/209228522.db2.gz FYXSZKMLJVUXCJ-JIUKNFRESA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1/S[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000101662213 209228528 /nfs/dbraw/zinc/22/85/28/209228528.db2.gz FYXSZKMLJVUXCJ-JIUKNFRESA-N 0 2 374.293 3.662 50 30 FHEALN Oc1c(Cl)cc(/C=N/NC(=S)NCc2ccccc2)cc1Cl ZINC000004680494 207038191 /nfs/dbraw/zinc/03/81/91/207038191.db2.gz XSTPKSHKFFMJCN-DJKKODMXSA-N 0 2 354.262 3.697 50 30 FHEALN O=C(CC1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 ZINC000005450626 207100392 /nfs/dbraw/zinc/10/03/92/207100392.db2.gz BPFJLMSPFSJVSW-INIZCTEOSA-N 0 2 372.494 3.703 50 30 FHEALN O=C(C[C@@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 ZINC000005450626 207100395 /nfs/dbraw/zinc/10/03/95/207100395.db2.gz BPFJLMSPFSJVSW-INIZCTEOSA-N 0 2 372.494 3.703 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N/C3CCCCC3)NC2=O)c(C)c1 ZINC000012447094 207377663 /nfs/dbraw/zinc/37/76/63/207377663.db2.gz MVULDTPTSYKQIO-INIZCTEOSA-N 0 2 359.495 3.552 50 30 FHEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c(C)c1 ZINC000012447094 207377672 /nfs/dbraw/zinc/37/76/72/207377672.db2.gz MVULDTPTSYKQIO-INIZCTEOSA-N 0 2 359.495 3.552 50 30 FHEALN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000012463105 207380690 /nfs/dbraw/zinc/38/06/90/207380690.db2.gz CITPYDZJKKFHTQ-MBOBHEEDSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000012463105 207380696 /nfs/dbraw/zinc/38/06/96/207380696.db2.gz CITPYDZJKKFHTQ-MBOBHEEDSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1nc(Cc2ccccc2)sc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000041559783 526927308 /nfs/dbraw/zinc/92/73/08/526927308.db2.gz SGAGUKMASHOXFD-INIZCTEOSA-N 0 2 362.458 3.939 50 30 FHEALN Cc1nc(Cc2ccccc2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041559783 526927312 /nfs/dbraw/zinc/92/73/12/526927312.db2.gz SGAGUKMASHOXFD-INIZCTEOSA-N 0 2 362.458 3.939 50 30 FHEALN O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000299738148 527119916 /nfs/dbraw/zinc/11/99/16/527119916.db2.gz BSYBLDQLDFKAAN-WZUFQYTHSA-N 0 2 368.128 3.929 50 30 FHEALN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1F)C(C#N)C#N ZINC000001187572 570490414 /nfs/dbraw/zinc/49/04/14/570490414.db2.gz TZPOYSKAFIWLLS-OALUTQOASA-N 0 2 367.355 3.556 50 30 FHEALN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000013739094 570788552 /nfs/dbraw/zinc/78/85/52/570788552.db2.gz XENAOAOXLJDCAC-SSDOTTSWSA-N 0 2 365.261 3.759 50 30 FHEALN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1Cl)C(C#N)C#N ZINC000109082384 570911651 /nfs/dbraw/zinc/91/16/51/570911651.db2.gz JPJIYULVEOIJQJ-IBGZPJMESA-N 0 2 362.820 3.923 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[nH]c1=S ZINC000010323465 571125154 /nfs/dbraw/zinc/12/51/54/571125154.db2.gz DAQNOKZAADKSHA-UHFFFAOYSA-N 0 2 373.384 3.776 50 30 FHEALN C=CCn1c2ccccc2c(O)c(C(=O)Nc2ccc(OCC)cc2)c1=O ZINC000100502030 571150102 /nfs/dbraw/zinc/15/01/02/571150102.db2.gz XDKFWESOGCMDOS-UHFFFAOYSA-N 0 2 364.401 3.544 50 30 FHEALN O=C1C(=NNc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000252462970 571279202 /nfs/dbraw/zinc/27/92/02/571279202.db2.gz XVXCJDGUTVNNMM-UHFFFAOYSA-N 0 2 356.385 3.611 50 30 FHEALN N#C[C@H](C(=O)C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc2ccccc21 ZINC000048547993 571308889 /nfs/dbraw/zinc/30/88/89/571308889.db2.gz LMDSOWSCVXQKAH-ZDUSSCGKSA-N 0 2 366.358 3.669 50 30 FHEALN N#CC(C(=O)C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc2ccccc21 ZINC000048547993 571308890 /nfs/dbraw/zinc/30/88/90/571308890.db2.gz LMDSOWSCVXQKAH-ZDUSSCGKSA-N 0 2 366.358 3.669 50 30 FHEALN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1N=Cc1cc(Cl)ccc1O ZINC000102731012 209241479 /nfs/dbraw/zinc/24/14/79/209241479.db2.gz YLVFELQILVMNLE-KAUTYAIWSA-N 0 2 367.796 3.518 50 30 FHEALN O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)C1=C(O)c1ccccc1 ZINC000102543316 209237721 /nfs/dbraw/zinc/23/77/21/209237721.db2.gz WUXMDTAQSWQOMK-WOOAAIBNSA-N 0 2 359.381 3.902 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000007883598 207209849 /nfs/dbraw/zinc/20/98/49/207209849.db2.gz NJPHXKIFXGJEQW-QBNCKDSPSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1/S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000007883598 207209852 /nfs/dbraw/zinc/20/98/52/207209852.db2.gz NJPHXKIFXGJEQW-QBNCKDSPSA-N 0 2 355.463 3.508 50 30 FHEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccccc3C)S2)cc1C ZINC000007883370 207210793 /nfs/dbraw/zinc/21/07/93/207210793.db2.gz JFAGSQYWUFROHH-QGZVFWFLSA-N 0 2 367.474 3.860 50 30 FHEALN CSc1[nH]c(=O)c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1C#N ZINC000030134166 208000337 /nfs/dbraw/zinc/00/03/37/208000337.db2.gz DWCDGWBHQIEEOH-UHFFFAOYSA-N 0 2 371.506 3.669 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2nc3ccccc3nc2C)n1 ZINC000023055640 263386798 /nfs/dbraw/zinc/38/67/98/263386798.db2.gz COOFGRWUCNASOX-GFCCVEGCSA-N 0 2 354.460 3.672 50 30 FHEALN Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3nc2C)n1 ZINC000023055640 263386801 /nfs/dbraw/zinc/38/68/01/263386801.db2.gz COOFGRWUCNASOX-GFCCVEGCSA-N 0 2 354.460 3.672 50 30 FHEALN CC(C)(C)c1ccc(OCCCN2c3ccccc3/C(=N/O)C2=O)cc1 ZINC000039853902 519039935 /nfs/dbraw/zinc/03/99/35/519039935.db2.gz AZFZDVXMIQYSNN-QOCHGBHMSA-N 0 2 352.434 3.978 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3C)NC2=O)c1 ZINC000017242362 524605805 /nfs/dbraw/zinc/60/58/05/524605805.db2.gz HTLUCSQRZVRVET-MRXNPFEDSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)NC2=O)c1 ZINC000017242362 524605823 /nfs/dbraw/zinc/60/58/23/524605823.db2.gz HTLUCSQRZVRVET-MRXNPFEDSA-N 0 2 353.447 3.551 50 30 FHEALN CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000000678002 570447683 /nfs/dbraw/zinc/44/76/83/570447683.db2.gz VHCBIARSNIAYEU-MRXNPFEDSA-N 0 2 372.218 3.938 50 30 FHEALN CCOC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000001644567 570503705 /nfs/dbraw/zinc/50/37/05/570503705.db2.gz QQISRKQTAKOLBO-UHFFFAOYSA-N 0 2 366.208 3.944 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000014404365 570818544 /nfs/dbraw/zinc/81/85/44/570818544.db2.gz SGQBBDDNUBOIFO-AFMLGWFNSA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000014404365 570818545 /nfs/dbraw/zinc/81/85/45/570818545.db2.gz SGQBBDDNUBOIFO-AFMLGWFNSA-N 0 2 374.293 3.662 50 30 FHEALN C=C(C)CN(CC)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000040144840 571084904 /nfs/dbraw/zinc/08/49/04/571084904.db2.gz OGAIPDUDPGSZQE-UHFFFAOYSA-N 0 2 364.492 3.587 50 30 FHEALN CC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000000987886 571152678 /nfs/dbraw/zinc/15/26/78/571152678.db2.gz LCWNSNYUXWHABC-UHFFFAOYSA-N 0 2 360.222 3.797 50 30 FHEALN CC(C)c1csc(C(C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456083 571329535 /nfs/dbraw/zinc/32/95/35/571329535.db2.gz GSIVMZUYRWQYKC-CQSZACIVSA-N 0 2 355.463 3.714 50 30 FHEALN CC(C)c1csc([C@H](C#N)C(=O)c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456083 571329536 /nfs/dbraw/zinc/32/95/36/571329536.db2.gz GSIVMZUYRWQYKC-CQSZACIVSA-N 0 2 355.463 3.714 50 30 FHEALN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N ZINC000100698961 209216406 /nfs/dbraw/zinc/21/64/06/209216406.db2.gz RBLSIFNEKGLQLS-LJQANCHMSA-N 0 2 373.372 3.590 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(C)C2=O)c(C)c1 ZINC000100261219 209211661 /nfs/dbraw/zinc/21/16/61/209211661.db2.gz KQDGRFGVLJVEQJ-SGRLSNSRSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(C)C2=O)c(C)c1 ZINC000100261219 209211668 /nfs/dbraw/zinc/21/16/68/209211668.db2.gz KQDGRFGVLJVEQJ-SGRLSNSRSA-N 0 2 367.474 3.894 50 30 FHEALN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Br)ccc1O ZINC000004862986 207055060 /nfs/dbraw/zinc/05/50/60/207055060.db2.gz BFNPKUHWNIOWKC-DAFODLJHSA-N 0 2 361.191 3.822 50 30 biogenic FHEALN N#Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)[nH]c1C#N ZINC000012544338 207389459 /nfs/dbraw/zinc/38/94/59/207389459.db2.gz JVLZYFONQKEDGJ-UHFFFAOYSA-N 0 2 364.368 3.621 50 30 FHEALN Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccc(C(C)(C)C)cc1 ZINC000039853939 208214306 /nfs/dbraw/zinc/21/43/06/208214306.db2.gz BMZFOVGMSZZFDN-QOCHGBHMSA-N 0 2 352.434 3.896 50 30 FHEALN Cc1ccccc1NC(=O)CC1S/C(=N/N=C2CCCCCC2)NC1=O ZINC000013402473 570777462 /nfs/dbraw/zinc/77/74/62/570777462.db2.gz BWJQNYYVFLBUAY-INIZCTEOSA-N 0 2 372.494 3.621 50 30 FHEALN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/N=C2CCCCCC2)NC1=O ZINC000013402473 570777467 /nfs/dbraw/zinc/77/74/67/570777467.db2.gz BWJQNYYVFLBUAY-INIZCTEOSA-N 0 2 372.494 3.621 50 30 FHEALN CC/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000014404362 570818215 /nfs/dbraw/zinc/81/82/15/570818215.db2.gz SGQBBDDNUBOIFO-IRPICPOESA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000014404362 570818227 /nfs/dbraw/zinc/81/82/27/570818227.db2.gz SGQBBDDNUBOIFO-IRPICPOESA-N 0 2 374.293 3.662 50 30 FHEALN CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000079075792 571326840 /nfs/dbraw/zinc/32/68/40/571326840.db2.gz VOAOUKBDAXHAIL-UHFFFAOYSA-N 0 2 351.431 3.578 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2[nH]c1=S ZINC000012609437 210141763 /nfs/dbraw/zinc/14/17/63/210141763.db2.gz KVXZUVGSZITBTP-UHFFFAOYSA-N 0 2 367.430 3.506 50 30 FHEALN Cc1cccc(C)c1NC(=O)CC1S/C(=N\c2ccccc2)NC1=O ZINC000018148731 211191575 /nfs/dbraw/zinc/19/15/75/211191575.db2.gz RUVDDLSGWAELSK-HNNXBMFYSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O ZINC000018148731 211191579 /nfs/dbraw/zinc/19/15/79/211191579.db2.gz RUVDDLSGWAELSK-HNNXBMFYSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(C)C2=O)c(C)c1 ZINC000100261226 222240867 /nfs/dbraw/zinc/24/08/67/222240867.db2.gz KQDGRFGVLJVEQJ-UAFUQJIBSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(C)C2=O)c(C)c1 ZINC000100261226 222240870 /nfs/dbraw/zinc/24/08/70/222240870.db2.gz KQDGRFGVLJVEQJ-UAFUQJIBSA-N 0 2 367.474 3.894 50 30 FHEALN O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000100692004 222249540 /nfs/dbraw/zinc/24/95/40/222249540.db2.gz APDXYUBTVFWGGC-XDHOZWIPSA-N 0 2 372.837 3.681 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC000023105859 263386658 /nfs/dbraw/zinc/38/66/58/263386658.db2.gz FZXMHWYALSJXFD-JTQLQIEISA-N 0 2 357.382 3.834 50 30 FHEALN Cc1csc([C@@H](C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC000023105859 263386660 /nfs/dbraw/zinc/38/66/60/263386660.db2.gz FZXMHWYALSJXFD-JTQLQIEISA-N 0 2 357.382 3.834 50 30 FHEALN Cc1csc([C@@H](C#N)C(=O)c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000041517604 526401748 /nfs/dbraw/zinc/40/17/48/526401748.db2.gz OXQZCGZMJWVRAZ-AWEZNQCLSA-N 0 2 356.838 3.840 50 30 FHEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(I)cc2)c1 ZINC000002821176 570534498 /nfs/dbraw/zinc/53/44/98/570534498.db2.gz GDYAMKYKYQKABR-OVCLIPMQSA-N 0 2 368.130 3.656 50 30 FHEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000012377998 570740593 /nfs/dbraw/zinc/74/05/93/570740593.db2.gz DWTWJGGZXYBGHU-INIZCTEOSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000012377998 570740595 /nfs/dbraw/zinc/74/05/95/570740595.db2.gz DWTWJGGZXYBGHU-INIZCTEOSA-N 0 2 353.447 3.551 50 30 FHEALN CC/N=C1\SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000102420878 570831718 /nfs/dbraw/zinc/83/17/18/570831718.db2.gz SGQBBDDNUBOIFO-FOTIKMNESA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1CC ZINC000102420878 570831723 /nfs/dbraw/zinc/83/17/23/570831723.db2.gz SGQBBDDNUBOIFO-FOTIKMNESA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1\SC(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000004699837 571163832 /nfs/dbraw/zinc/16/38/32/571163832.db2.gz FYXSZKMLJVUXCJ-ZNZSVTJWSA-N 0 2 374.293 3.662 50 30 FHEALN CC/N=C1\S[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1CC ZINC000004699837 571163833 /nfs/dbraw/zinc/16/38/33/571163833.db2.gz FYXSZKMLJVUXCJ-ZNZSVTJWSA-N 0 2 374.293 3.662 50 30 FHEALN O=[N+]([O-])c1cccc(C=Nc2ccc(I)cc2)c1O ZINC000254483780 571275025 /nfs/dbraw/zinc/27/50/25/571275025.db2.gz MVGWZJYGXYMEQR-UHFFFAOYSA-N 0 2 368.130 3.656 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1C ZINC000017242372 211183635 /nfs/dbraw/zinc/18/36/35/211183635.db2.gz HOCMQSVJICGHOZ-INIZCTEOSA-N 0 2 353.447 3.551 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3)S2)cc1Cl ZINC000017242463 211183479 /nfs/dbraw/zinc/18/34/79/211183479.db2.gz GUWKCSOQTGQIRX-OAHLLOKOSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1Cl ZINC000017242463 211183484 /nfs/dbraw/zinc/18/34/84/211183484.db2.gz GUWKCSOQTGQIRX-OAHLLOKOSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)cc1 ZINC000017084620 211178749 /nfs/dbraw/zinc/17/87/49/211178749.db2.gz KICODGCXMQXREA-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1 ZINC000017084620 211178755 /nfs/dbraw/zinc/17/87/55/211178755.db2.gz KICODGCXMQXREA-KRWDZBQOSA-N 0 2 367.474 3.860 50 30 FHEALN C=CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000101247315 222266972 /nfs/dbraw/zinc/26/69/72/222266972.db2.gz JSBWVMUJAILXKK-SELCWUDQSA-N 0 2 351.377 3.742 50 30 FHEALN CC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(C)c(Br)c1 ZINC000100507699 222246177 /nfs/dbraw/zinc/24/61/77/222246177.db2.gz HMFAFBMMTBUUCH-SILNSSARSA-N 0 2 371.238 3.948 50 30 FHEALN C=CCn1c2ccccc2nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000008565504 263355766 /nfs/dbraw/zinc/35/57/66/263355766.db2.gz OHQBAJFFJJMQKA-UHFFFAOYSA-N 0 2 354.460 3.813 50 30 FHEALN CCc1c(C(=O)C(C#N)c2ccc(F)cn2)nnn1-c1cccc(Cl)c1 ZINC000225441319 523708468 /nfs/dbraw/zinc/70/84/68/523708468.db2.gz SUOGDPFPUUESSW-CQSZACIVSA-N 0 2 369.787 3.507 50 30 FHEALN O=[N+]([O-])c1ccc(O)c(C=NNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000036046708 571239580 /nfs/dbraw/zinc/23/95/80/571239580.db2.gz SQWWVSFAKPZRRS-DNTJNYDQSA-N 0 2 369.406 3.630 50 30 FHEALN N#C[C@H]1C(=O)NC(Nc2ccc(Cl)cc2Cl)=NC12CCCCC2 ZINC000096318569 222115147 /nfs/dbraw/zinc/11/51/47/222115147.db2.gz MGFOGNJERBIHMH-NSHDSACASA-N 0 2 351.237 3.734 50 30 FHEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(F)c1 ZINC000096336099 222115965 /nfs/dbraw/zinc/11/59/65/222115965.db2.gz SFZFHOQDHGYGTI-AWEZNQCLSA-N 0 2 370.361 3.658 50 30 FHEALN CC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(C)c(Br)c1 ZINC000100005507 222231964 /nfs/dbraw/zinc/23/19/64/222231964.db2.gz HMFAFBMMTBUUCH-CAPFRKAQSA-N 0 2 371.238 3.948 50 30 FHEALN O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)C1=C(O)c1ccccc1 ZINC000102543309 222300261 /nfs/dbraw/zinc/30/02/61/222300261.db2.gz WUXMDTAQSWQOMK-LFVOPCPISA-N 0 2 359.381 3.902 50 30 FHEALN N#C[C@@H](C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl ZINC000011692172 526491341 /nfs/dbraw/zinc/49/13/41/526491341.db2.gz NCDISMGNCKMIBY-CQSZACIVSA-N 0 2 354.841 3.897 50 30 FHEALN Cc1ccc(C=NN=C2NC(=O)C(CC(=O)Nc3ccccc3F)S2)o1 ZINC000005102267 570621233 /nfs/dbraw/zinc/62/12/33/570621233.db2.gz BQNNBOJXYDQCTG-FRSZACSASA-N 0 2 374.397 3.518 50 30 FHEALN Cc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)o1 ZINC000005102267 570621235 /nfs/dbraw/zinc/62/12/35/570621235.db2.gz BQNNBOJXYDQCTG-FRSZACSASA-N 0 2 374.397 3.518 50 30 FHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C ZINC000005101411 570621254 /nfs/dbraw/zinc/62/12/54/570621254.db2.gz YEIITECHOQWTSS-IKMPRTQCSA-N 0 2 374.510 3.642 50 30 FHEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C ZINC000005101411 570621255 /nfs/dbraw/zinc/62/12/55/570621255.db2.gz YEIITECHOQWTSS-IKMPRTQCSA-N 0 2 374.510 3.642 50 30 FHEALN Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C=Cc1cccc2ccccc12 ZINC000048534692 570956962 /nfs/dbraw/zinc/95/69/62/570956962.db2.gz RKDJPZRKJIWLSO-VAWYXSNFSA-N 0 2 369.446 3.549 50 30 FHEALN CCCC(C)=NN=C1NC(=O)C(CC(=O)Nc2ccc(OC)cc2)S1 ZINC000252642523 571190220 /nfs/dbraw/zinc/19/02/20/571190220.db2.gz ZMXLJMYJGJELJW-AWEZNQCLSA-N 0 2 362.455 3.628 50 30 FHEALN CCCC(C)=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S1 ZINC000252642523 571190222 /nfs/dbraw/zinc/19/02/22/571190222.db2.gz ZMXLJMYJGJELJW-AWEZNQCLSA-N 0 2 362.455 3.628 50 30 FHEALN C=CC[N@H+](CC#Cc1ccccc1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369735 210067375 /nfs/dbraw/zinc/06/73/75/210067375.db2.gz OTZMUWLCGCFUHE-NRFANRHFSA-N 0 2 363.457 3.977 50 30 FHEALN C=CC[N@@H+](CC#Cc1ccccc1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369735 210067377 /nfs/dbraw/zinc/06/73/77/210067377.db2.gz OTZMUWLCGCFUHE-NRFANRHFSA-N 0 2 363.457 3.977 50 30 FHEALN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])c(Cl)c2)c1O ZINC000004825219 219609777 /nfs/dbraw/zinc/60/97/77/219609777.db2.gz HKCNOJMFOBSRKA-FRKPEAEDSA-N 0 2 351.702 3.621 50 30 FHEALN Cc1ccc(Cl)cc1NC(=O)CC1S/C(=N/c2ccccc2)NC1=O ZINC000018193163 211194287 /nfs/dbraw/zinc/19/42/87/211194287.db2.gz UQKBSGVXBDCPFE-HNNXBMFYSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O ZINC000018193163 211194289 /nfs/dbraw/zinc/19/42/89/211194289.db2.gz UQKBSGVXBDCPFE-HNNXBMFYSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(C)C1=O ZINC000103775686 222344478 /nfs/dbraw/zinc/34/44/78/222344478.db2.gz GAPMVMWPPHTNGD-DVSFIDLUSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O ZINC000103775686 222344481 /nfs/dbraw/zinc/34/44/81/222344481.db2.gz GAPMVMWPPHTNGD-DVSFIDLUSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1ccccc1OCc1ccc(C=NN2C(=S)N=NC2C(F)F)o1 ZINC000002793204 525315065 /nfs/dbraw/zinc/31/50/65/525315065.db2.gz FDUVHEPLZNRVQD-UFWORHAWSA-N 0 2 364.377 3.867 50 30 FHEALN O=C1c2cccc(Br)c2O/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000299738320 527126249 /nfs/dbraw/zinc/12/62/49/527126249.db2.gz UWKVTDHXSFBVBP-QPEQYQDCSA-N 0 2 362.135 3.679 50 30 FHEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C ZINC000005101413 570621148 /nfs/dbraw/zinc/62/11/48/570621148.db2.gz YEIITECHOQWTSS-NSMHLIOHSA-N 0 2 374.510 3.642 50 30 FHEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S1)C(C)(C)C ZINC000005101413 570621152 /nfs/dbraw/zinc/62/11/52/570621152.db2.gz YEIITECHOQWTSS-NSMHLIOHSA-N 0 2 374.510 3.642 50 30 FHEALN Cc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(C)C1=O ZINC000252604590 571284834 /nfs/dbraw/zinc/28/48/34/571284834.db2.gz GAPMVMWPPHTNGD-MRXNPFEDSA-N 0 2 353.447 3.585 50 30 FHEALN Cc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(C)C1=O ZINC000252604590 571284835 /nfs/dbraw/zinc/28/48/35/571284835.db2.gz GAPMVMWPPHTNGD-MRXNPFEDSA-N 0 2 353.447 3.585 50 30 FHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1cccc(Cl)c1 ZINC000018283810 211196891 /nfs/dbraw/zinc/19/68/91/211196891.db2.gz MONYWSVACBEMIC-CQSZACIVSA-N 0 2 359.838 3.588 50 30 FHEALN O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1cccc(Cl)c1 ZINC000018283810 211196895 /nfs/dbraw/zinc/19/68/95/211196895.db2.gz MONYWSVACBEMIC-CQSZACIVSA-N 0 2 359.838 3.588 50 30 FHEALN Cc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000017206866 211183058 /nfs/dbraw/zinc/18/30/58/211183058.db2.gz NQMLESZGFDIILH-LDADJPATSA-N 0 2 358.232 3.783 50 30 FHEALN 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/nfs/dbraw/zinc/45/16/56/570451656.db2.gz CTTKTCKPTWQXNK-OZNQOIHVSA-N 0 2 374.487 3.725 50 30 FHEALN CCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000095351776 570451659 /nfs/dbraw/zinc/45/16/59/570451659.db2.gz CTTKTCKPTWQXNK-OZNQOIHVSA-N 0 2 374.487 3.725 50 30 FHEALN Cc1cc([N+](=O)[O-])cc(/N=C/c2cc(Br)ccc2O)c1O ZINC000095482074 570461824 /nfs/dbraw/zinc/46/18/24/570461824.db2.gz ZQRRJUYIOMBARV-FRKPEAEDSA-N 0 2 351.156 3.828 50 30 FHEALN CC/N=C1\SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000102420251 570831756 /nfs/dbraw/zinc/83/17/56/570831756.db2.gz NJPHXKIFXGJEQW-DVSFIDLUSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000102420251 570831765 /nfs/dbraw/zinc/83/17/65/570831765.db2.gz NJPHXKIFXGJEQW-DVSFIDLUSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1\SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000102420249 570831774 /nfs/dbraw/zinc/83/17/74/570831774.db2.gz NJPHXKIFXGJEQW-JVMRMLDLSA-N 0 2 355.463 3.508 50 30 FHEALN CC/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1CC ZINC000102420249 570831778 /nfs/dbraw/zinc/83/17/78/570831778.db2.gz NJPHXKIFXGJEQW-JVMRMLDLSA-N 0 2 355.463 3.508 50 30 FHEALN O=c1[nH]c(NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 ZINC000031843542 571056063 /nfs/dbraw/zinc/05/60/63/571056063.db2.gz SPPRTTIKODPYQA-FBHDLOMBSA-N 0 2 359.311 3.709 50 30 FHEALN CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CCC2 ZINC000001798775 571193942 /nfs/dbraw/zinc/19/39/42/571193942.db2.gz DLXCWHRBVRNYAP-GIJQJNRQSA-N 0 2 360.391 3.778 50 30 FHEALN Cc1ccccc1NC(=O)CC1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252598901 571284634 /nfs/dbraw/zinc/28/46/34/571284634.db2.gz DEGZRMHXNUZMMB-MRXNPFEDSA-N 0 2 371.437 3.724 50 30 FHEALN Cc1ccccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252598901 571284636 /nfs/dbraw/zinc/28/46/36/571284636.db2.gz DEGZRMHXNUZMMB-MRXNPFEDSA-N 0 2 371.437 3.724 50 30 FHEALN Cc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000012463106 571322493 /nfs/dbraw/zinc/32/24/93/571322493.db2.gz CITPYDZJKKFHTQ-XGIGFIBQSA-N 0 2 367.474 3.894 50 30 FHEALN Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1C ZINC000012463106 571322494 /nfs/dbraw/zinc/32/24/94/571322494.db2.gz CITPYDZJKKFHTQ-XGIGFIBQSA-N 0 2 367.474 3.894 50 30 FHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1Cl ZINC000001045446 219357066 /nfs/dbraw/zinc/35/70/66/219357066.db2.gz WCVQMHTZKSEZTB-AWEZNQCLSA-N 0 2 359.838 3.588 50 30 FHEALN O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1Cl ZINC000001045446 219357070 /nfs/dbraw/zinc/35/70/70/219357070.db2.gz WCVQMHTZKSEZTB-AWEZNQCLSA-N 0 2 359.838 3.588 50 30 FHEALN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1F)C(C#N)C#N ZINC000001187569 219387710 /nfs/dbraw/zinc/38/77/10/219387710.db2.gz TZPOYSKAFIWLLS-RBUKOAKNSA-N 0 2 367.355 3.556 50 30 FHEALN Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1cccs1 ZINC000048356454 221010011 /nfs/dbraw/zinc/01/00/11/221010011.db2.gz MCGGTWMWAPERRT-UHFFFAOYSA-N 0 2 371.443 3.916 50 30 FHEALN CCOc1ccc(N=C2NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 ZINC000005565228 520861428 /nfs/dbraw/zinc/86/14/28/520861428.db2.gz OZZFCCWEFAGBHN-QGZVFWFLSA-N 0 2 354.431 3.577 50 30 FHEALN CCOc1ccc(N=C2NC(=O)C(CC(=O)c3ccccc3)S2)cc1 ZINC000005565228 520861432 /nfs/dbraw/zinc/86/14/32/520861432.db2.gz OZZFCCWEFAGBHN-QGZVFWFLSA-N 0 2 354.431 3.577 50 30 FHEALN CCc1nc(C(C#N)=C(O)C=Cc2ccc(NC(C)=O)cc2)sc1C ZINC000098055136 522442788 /nfs/dbraw/zinc/44/27/88/522442788.db2.gz LEUPFHRJCKLHFN-BSDKJSHOSA-N 0 2 353.447 3.862 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 ZINC000012462813 570747987 /nfs/dbraw/zinc/74/79/87/570747987.db2.gz YCVJINLTCYZHHM-UFIXSJTLSA-N 0 2 371.437 3.724 50 30 FHEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1 ZINC000012462813 570747991 /nfs/dbraw/zinc/74/79/91/570747991.db2.gz YCVJINLTCYZHHM-UFIXSJTLSA-N 0 2 371.437 3.724 50 30 FHEALN CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000101070003 570804366 /nfs/dbraw/zinc/80/43/66/570804366.db2.gz IXZYQPDDSDFGRS-SFKKXYGYSA-N 0 2 372.218 3.938 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2nccn2-c2cccc(F)c2)n1 ZINC000026107280 571002900 /nfs/dbraw/zinc/00/29/00/571002900.db2.gz CUPYAPVVROXPSJ-CQSZACIVSA-N 0 2 372.450 3.745 50 30 FHEALN Cc1csc([C@H](C#N)C(=O)CSc2nccn2-c2cccc(F)c2)n1 ZINC000026107280 571002910 /nfs/dbraw/zinc/00/29/10/571002910.db2.gz CUPYAPVVROXPSJ-CQSZACIVSA-N 0 2 372.450 3.745 50 30 FHEALN Cc1nnc(NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]c1=O ZINC000253534241 571318754 /nfs/dbraw/zinc/31/87/54/571318754.db2.gz VYDYNUHQXXRZGE-UHFFFAOYSA-N 0 2 357.458 3.632 50 30 FHEALN N#Cc1ccccc1S(=O)(=O)Nc1c2ccccc2nc2c1CCCC2 ZINC000012630263 220014240 /nfs/dbraw/zinc/01/42/40/220014240.db2.gz HYWGIIACLJVMFS-UHFFFAOYSA-N 0 2 363.442 3.786 50 30 FHEALN COc1cc(-c2cc(-c3ccc(O)c(Cl)c3)c(C#N)c(N)n2)ccc1O ZINC000067740472 221279293 /nfs/dbraw/zinc/27/92/93/221279293.db2.gz UOZSTURHRMJYGY-UHFFFAOYSA-N 0 2 367.792 3.943 50 30 FHEALN CC[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000095351777 570451713 /nfs/dbraw/zinc/45/17/13/570451713.db2.gz CTTKTCKPTWQXNK-NXDJFEHLSA-N 0 2 374.487 3.725 50 30 FHEALN CCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=O ZINC000095351777 570451714 /nfs/dbraw/zinc/45/17/14/570451714.db2.gz CTTKTCKPTWQXNK-NXDJFEHLSA-N 0 2 374.487 3.725 50 30 FHEALN O=C(NC1CCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002147482 571280731 /nfs/dbraw/zinc/28/07/31/571280731.db2.gz DSXFWEWRTUHFOG-NSHDSACASA-N 0 2 373.215 3.630 50 30 FHEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000003631278 571351856 /nfs/dbraw/zinc/35/18/56/571351856.db2.gz NLGDTSWCMFEWJZ-HEHGZKQESA-N 0 2 371.506 3.800 50 30 FHEALN Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1 ZINC000005861039 942316204 /nfs/dbraw/zinc/31/62/04/942316204.db2.gz ZARPCUZJHDFBAT-UHFFFAOYSA-N 0 2 364.788 3.608 50 30 FHEALN Cc1nnc(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)[nH]c1=O ZINC000015016191 220141662 /nfs/dbraw/zinc/14/16/62/220141662.db2.gz UERPBIHDZPGCBH-DNTJNYDQSA-N 0 2 363.299 3.610 50 30 FHEALN Cc1cccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)c1 ZINC000017084647 220205444 /nfs/dbraw/zinc/20/54/44/220205444.db2.gz GYZBBPFVEGIGHJ-HNNXBMFYSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)c1 ZINC000017084647 220205451 /nfs/dbraw/zinc/20/54/51/220205451.db2.gz GYZBBPFVEGIGHJ-HNNXBMFYSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1cc(O)c(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)o1 ZINC000105640061 222372215 /nfs/dbraw/zinc/37/22/15/222372215.db2.gz OFVYMERWRCFUDH-POZKEBTKSA-N 0 2 356.761 3.828 50 30 FHEALN Cc1csc(C(C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 ZINC000009949630 263363279 /nfs/dbraw/zinc/36/32/79/263363279.db2.gz BZRFJXKLRHHADM-ZDUSSCGKSA-N 0 2 360.460 3.581 50 30 FHEALN Cc1csc([C@@H](C#N)C(=O)CSc2ccc3c(c2)OCCCO3)n1 ZINC000009949630 263363283 /nfs/dbraw/zinc/36/32/83/263363283.db2.gz BZRFJXKLRHHADM-ZDUSSCGKSA-N 0 2 360.460 3.581 50 30 FHEALN Oc1ccc(C=[NH+]Nc2nnc(SCc3ccc(Cl)cc3)[n-]2)cc1 ZINC000020457951 526340411 /nfs/dbraw/zinc/34/04/11/526340411.db2.gz LCWKXCIHDKZBOC-GIJQJNRQSA-N 0 2 359.842 3.902 50 30 FHEALN CC(C)c1ccc(NC(=O)CC2S/C(=N\N=C3CCCC3)NC2=O)cc1 ZINC000005408172 570626290 /nfs/dbraw/zinc/62/62/90/570626290.db2.gz HADZGZUVNVSFBJ-MRXNPFEDSA-N 0 2 372.494 3.656 50 30 FHEALN CC(C)c1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCC3)NC2=O)cc1 ZINC000005408172 570626294 /nfs/dbraw/zinc/62/62/94/570626294.db2.gz HADZGZUVNVSFBJ-MRXNPFEDSA-N 0 2 372.494 3.656 50 30 FHEALN O=C(CC1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 ZINC000005450625 570627775 /nfs/dbraw/zinc/62/77/75/570627775.db2.gz BPFJLMSPFSJVSW-MRXNPFEDSA-N 0 2 372.494 3.703 50 30 FHEALN O=C(C[C@H]1S/C(=N\N=C2CCCCCCC2)NC1=O)Nc1ccccc1 ZINC000005450625 570627777 /nfs/dbraw/zinc/62/77/77/570627777.db2.gz BPFJLMSPFSJVSW-MRXNPFEDSA-N 0 2 372.494 3.703 50 30 FHEALN CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000102806737 570838167 /nfs/dbraw/zinc/83/81/67/570838167.db2.gz VIZOFWYXVYFNTB-ODLFYWEKSA-N 0 2 352.419 3.686 50 30 FHEALN C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000002407361 571124980 /nfs/dbraw/zinc/12/49/80/571124980.db2.gz VYCGKOZEHWTALK-UHFFFAOYSA-N 0 2 374.853 3.682 50 30 FHEALN C/N=C1\SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCC1 ZINC000004723232 571168680 /nfs/dbraw/zinc/16/86/80/571168680.db2.gz PEHVMAXHRBDLMF-JVMRMLDLSA-N 0 2 359.495 3.586 50 30 FHEALN C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C1CCCCC1 ZINC000004723232 571168681 /nfs/dbraw/zinc/16/86/81/571168681.db2.gz PEHVMAXHRBDLMF-JVMRMLDLSA-N 0 2 359.495 3.586 50 30 FHEALN Cc1ccc(C=NN=C2NC(=O)C(CC(=O)Nc3ccccc3F)S2)o1 ZINC000252594303 571284333 /nfs/dbraw/zinc/28/43/33/571284333.db2.gz BQNNBOJXYDQCTG-CQSZACIVSA-N 0 2 374.397 3.518 50 30 FHEALN Cc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3F)S2)o1 ZINC000252594303 571284334 /nfs/dbraw/zinc/28/43/34/571284334.db2.gz BQNNBOJXYDQCTG-CQSZACIVSA-N 0 2 374.397 3.518 50 30 FHEALN N#Cc1c(=O)[nH]c(SCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000095471976 571330620 /nfs/dbraw/zinc/33/06/20/571330620.db2.gz ATFNMPJJDAVFOK-UHFFFAOYSA-N 0 2 364.386 3.921 50 30 FHEALN N#C/C(=N\Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037367 219356318 /nfs/dbraw/zinc/35/63/18/219356318.db2.gz RBSPLDQQULXVMP-XMHGGMMESA-N 0 2 354.218 3.716 50 30 FHEALN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000013739093 220092190 /nfs/dbraw/zinc/09/21/90/220092190.db2.gz XENAOAOXLJDCAC-ZETCQYMHSA-N 0 2 365.261 3.759 50 30 FHEALN O=C(CC1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000018178187 220226510 /nfs/dbraw/zinc/22/65/10/220226510.db2.gz YKXKZOBSRMVIIE-AWEZNQCLSA-N 0 2 359.838 3.588 50 30 FHEALN O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000018178187 220226513 /nfs/dbraw/zinc/22/65/13/220226513.db2.gz YKXKZOBSRMVIIE-AWEZNQCLSA-N 0 2 359.838 3.588 50 30 FHEALN CC[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)OC(C)C ZINC000021658755 220362369 /nfs/dbraw/zinc/36/23/69/220362369.db2.gz NUJFKNRIQOCSNU-CQSZACIVSA-N 0 2 357.435 3.543 50 30 FHEALN C=CC[N@H+](CC#Cc1ccccc1)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369738 221067145 /nfs/dbraw/zinc/06/71/45/221067145.db2.gz OTZMUWLCGCFUHE-OAQYLSRUSA-N 0 2 363.457 3.977 50 30 FHEALN C=CC[N@@H+](CC#Cc1ccccc1)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369738 221067147 /nfs/dbraw/zinc/06/71/47/221067147.db2.gz OTZMUWLCGCFUHE-OAQYLSRUSA-N 0 2 363.457 3.977 50 30 FHEALN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N/c2ccccc2)NC1=O ZINC000018193156 263373252 /nfs/dbraw/zinc/37/32/52/263373252.db2.gz KCINCLCZHYGJET-OAHLLOKOSA-N 0 2 373.865 3.896 50 30 FHEALN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O ZINC000018193156 263373254 /nfs/dbraw/zinc/37/32/54/263373254.db2.gz KCINCLCZHYGJET-OAHLLOKOSA-N 0 2 373.865 3.896 50 30 FHEALN N#C[C@@H](C(=O)c1ccc(-c2ccc(F)cc2)o1)c1nnc2n1CCCCC2 ZINC000041509450 526492874 /nfs/dbraw/zinc/49/28/74/526492874.db2.gz JLQYKCGFFCHNLQ-HNNXBMFYSA-N 0 2 364.380 3.894 50 30 FHEALN Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000041559781 526927503 /nfs/dbraw/zinc/92/75/03/526927503.db2.gz SGAGUKMASHOXFD-MRXNPFEDSA-N 0 2 362.458 3.939 50 30 FHEALN Cc1nc(Cc2ccccc2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041559781 526927507 /nfs/dbraw/zinc/92/75/07/526927507.db2.gz SGAGUKMASHOXFD-MRXNPFEDSA-N 0 2 362.458 3.939 50 30 FHEALN O=[N+]([O-])c1cccc(C=NNC(=Nc2ccccc2)c2ccccn2)c1O ZINC000001958581 570510752 /nfs/dbraw/zinc/51/07/52/570510752.db2.gz UTYHHJZJVYFJLE-FYJGNVAPSA-N 0 2 361.361 3.588 50 30 FHEALN COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2O)sc2c1CCCC2 ZINC000004860383 570551818 /nfs/dbraw/zinc/55/18/18/570551818.db2.gz KYPWJRDCVMPQRF-GIJQJNRQSA-N 0 2 360.391 3.778 50 30 FHEALN COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 ZINC000004150700 570579080 /nfs/dbraw/zinc/57/90/80/570579080.db2.gz IQULCPLNTFUBDS-GIJQJNRQSA-N 0 2 360.391 3.778 50 30 FHEALN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000037342261 571082387 /nfs/dbraw/zinc/08/23/87/571082387.db2.gz NVTPYTQEKKSLCL-MHWRWJLKSA-N 0 2 369.402 3.754 50 30 FHEALN CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCC3)c1O ZINC000035406348 571168566 /nfs/dbraw/zinc/16/85/66/571168566.db2.gz DRJZKYUNUSSOSI-DJKKODMXSA-N 0 2 357.391 3.872 50 30 FHEALN N#Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004117 571250203 /nfs/dbraw/zinc/25/02/03/571250203.db2.gz DDWKMMIMHHRWDJ-UHFFFAOYSA-N 0 2 371.443 3.953 50 30 FHEALN