smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cn2c(CN3CCC(C(=O)[O-])CC3)cc3ccccc32)cc1 ZINC000049453645 205126617 /nfs/dbraw/zinc/12/66/17/205126617.db2.gz XLQKZOSPYXPXFT-UHFFFAOYSA-N -1 3 378.472 3.995 10 0 GHAEHM O=S(=O)(/C=C/c1ccc(Br)cc1)[N-]c1cnc(C2CC2)nc1 ZINC000103059820 871161516 /nfs/dbraw/zinc/16/15/16/871161516.db2.gz DJLPWUFNLUOZHL-BQYQJAHWSA-N -1 3 380.267 3.529 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-c4ccco4)nc3C)cc2)n1 ZINC000101859930 885958352 /nfs/dbraw/zinc/95/83/52/885958352.db2.gz VGZPKSXOQNBRNK-UHFFFAOYSA-N -1 3 386.411 3.961 10 0 GHAEHM O=C1CCCCN1c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1 ZINC000012199087 204381120 /nfs/dbraw/zinc/38/11/20/204381120.db2.gz HJIFGXZQOPXRKY-UHFFFAOYSA-N -1 3 399.516 3.605 10 0 GHAEHM COc1ccc(-c2cc(=O)[n-]c(NCc3ccc(Br)cc3)n2)cc1 ZINC000057341466 523089323 /nfs/dbraw/zinc/08/93/23/523089323.db2.gz HCDZZWBMHYSCPF-UHFFFAOYSA-N -1 3 386.249 3.820 10 0 GHAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(SC(C)C)cc1 ZINC000103497451 881228630 /nfs/dbraw/zinc/22/86/30/881228630.db2.gz UEUPFBZLJVZTDY-LLVKDONJSA-N -1 3 387.958 3.922 10 0 GHAEHM COc1ccccc1CC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000102379289 898007781 /nfs/dbraw/zinc/00/77/81/898007781.db2.gz JUWKDMBXORPJPB-UHFFFAOYSA-N -1 3 376.456 3.632 10 0 GHAEHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000103001027 885982849 /nfs/dbraw/zinc/98/28/49/885982849.db2.gz HLVZXQKIFRNVOT-AWEZNQCLSA-N -1 3 377.444 3.886 10 0 GHAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1Br ZINC000007306154 206222929 /nfs/dbraw/zinc/22/29/29/206222929.db2.gz DELFCILQRIPWBD-MRVPVSSYSA-N -1 3 394.212 3.906 10 0 GHAEHM CC(C)Cc1cc(=O)[n-]c(-c2ccc(CN(C)[C@H](C)c3ccncn3)cc2)n1 ZINC000023505452 519425901 /nfs/dbraw/zinc/42/59/01/519425901.db2.gz APBASJGSZVCKOT-MRXNPFEDSA-N -1 3 377.492 3.618 10 0 GHAEHM O=c1c2ccccc2n2c(-c3ccccc3[O-])nnc2n1Cc1ccc(F)cc1 ZINC000006781183 204204955 /nfs/dbraw/zinc/20/49/55/204204955.db2.gz HMLROPDDIQWPFR-UHFFFAOYSA-N -1 3 386.386 3.604 10 0 GHAEHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1Cl ZINC000012198966 204381426 /nfs/dbraw/zinc/38/14/26/204381426.db2.gz HIUQGIGKWFURDK-UHFFFAOYSA-N -1 3 394.880 3.666 10 0 GHAEHM CCO[C@@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCCC2 ZINC000121248157 851801476 /nfs/dbraw/zinc/80/14/76/851801476.db2.gz IPNFERTWFWLRGU-IAGOWNOFSA-N -1 3 381.476 3.839 10 0 GHAEHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(Cl)c3)c([O-])c12 ZINC000007424024 204241250 /nfs/dbraw/zinc/24/12/50/204241250.db2.gz ASFXWABEYWJVQR-UHFFFAOYSA-N -1 3 378.819 3.928 10 0 GHAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccc(Br)cc1F ZINC000040780905 205073155 /nfs/dbraw/zinc/07/31/55/205073155.db2.gz VOOIQGCOMFEJFH-UHFFFAOYSA-N -1 3 381.234 3.904 10 0 GHAEHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179648434 838553490 /nfs/dbraw/zinc/55/34/90/838553490.db2.gz OFHBRLSWEJIWNT-CTEACUEPSA-N -1 3 386.467 3.677 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCOCCc3ccccc3)c2)n1 ZINC000053470202 888228380 /nfs/dbraw/zinc/22/83/80/888228380.db2.gz FKLRGKXIOFPXME-UHFFFAOYSA-N -1 3 391.471 3.723 10 0 GHAEHM O=c1cc(-c2ccncc2)nc(-c2cccc(CN3CCC(F)(F)CC3)c2)[n-]1 ZINC000048261846 205116664 /nfs/dbraw/zinc/11/66/64/205116664.db2.gz XVQNDIWFPPGYGB-UHFFFAOYSA-N -1 3 382.414 3.730 10 0 GHAEHM CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2[O-])ncn1 ZINC000071973741 205300818 /nfs/dbraw/zinc/30/08/18/205300818.db2.gz YNADFEGFUROIDY-NTCAYCPXSA-N -1 3 394.383 3.927 10 0 GHAEHM O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000035553625 570395497 /nfs/dbraw/zinc/39/54/97/570395497.db2.gz USFWBEMEUCRAGO-UHFFFAOYSA-N -1 3 388.832 3.526 10 0 GHAEHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc2ncccc21 ZINC000102319713 854300832 /nfs/dbraw/zinc/30/08/32/854300832.db2.gz JYAYILQMHHIIBD-UHFFFAOYSA-N -1 3 381.226 3.937 10 0 GHAEHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(-c4cnn(C)c4)c3)nc2)n1 ZINC000301875818 865582316 /nfs/dbraw/zinc/58/23/16/865582316.db2.gz KCMAVOREWVAORA-UHFFFAOYSA-N -1 3 386.459 3.819 10 0 GHAEHM O=S(=O)([N-][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915980 870242620 /nfs/dbraw/zinc/24/26/20/870242620.db2.gz LBLYRTVSRUVTNS-ZIAGYGMSSA-N -1 3 385.411 3.543 10 0 GHAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191530622 884196207 /nfs/dbraw/zinc/19/62/07/884196207.db2.gz FDSNPJFGVYGLQW-ZDUSSCGKSA-N -1 3 389.446 3.674 10 0 GHAEHM COc1ccc(-c2nsc([N-]C(=O)c3coc(Br)c3)n2)cc1 ZINC000103035113 884710273 /nfs/dbraw/zinc/71/02/73/884710273.db2.gz GFAVFUATKKRLGQ-UHFFFAOYSA-N -1 3 380.223 3.822 10 0 GHAEHM COc1ccc(Br)cc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000692460345 976491546 /nfs/dbraw/zinc/49/15/46/976491546.db2.gz FGMMNBVCWQVCQP-UHFFFAOYSA-N -1 3 378.266 3.935 10 0 GHAEHM C[C@H](NCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000720645681 978048991 /nfs/dbraw/zinc/04/89/91/978048991.db2.gz XMHDHQKAJBJGAK-FUDCBSFHSA-N -1 3 395.525 3.670 10 0 GHAEHM CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@H](C)O)c([O-])c3c(c21)OC(C)(C)C=C3 ZINC000238779150 206125247 /nfs/dbraw/zinc/12/52/47/206125247.db2.gz QVXVUACNNIWBIU-FRRDWIJNSA-N -1 3 388.460 3.969 10 0 biogenic GHAEHM O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCCN1CCc2ccccc2C1 ZINC000073659634 527459817 /nfs/dbraw/zinc/45/98/17/527459817.db2.gz LBRSEBKNHRICES-UHFFFAOYSA-N -1 3 385.920 3.787 10 0 GHAEHM CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000002818865 570304730 /nfs/dbraw/zinc/30/47/30/570304730.db2.gz XXKCOYDUPAVGBE-GXDHUFHOSA-N -1 3 389.274 3.759 10 0 GHAEHM C[C@@H](N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000687673605 976153863 /nfs/dbraw/zinc/15/38/63/976153863.db2.gz UUIRFUUGGQGARC-JHJVBQTASA-N -1 3 383.514 3.575 10 0 GHAEHM Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccc(C(=O)[O-])cc2n1 ZINC000004226554 204032373 /nfs/dbraw/zinc/03/23/73/204032373.db2.gz FAASKSRSIBCNDP-UHFFFAOYSA-N -1 3 376.460 3.737 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3sccc3OC(F)F)cc2)n1 ZINC000104325895 837408375 /nfs/dbraw/zinc/40/83/75/837408375.db2.gz QUOGEWIRIOPSGS-UHFFFAOYSA-N -1 3 377.372 3.661 10 0 GHAEHM CCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@H](COC)c3ccccn3)cc2)n1 ZINC000023428781 837073155 /nfs/dbraw/zinc/07/31/55/837073155.db2.gz SBKIVOLPUNTTJC-OAQYLSRUSA-N -1 3 392.503 3.604 10 0 GHAEHM O=S(=O)([N-][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186916004 870242596 /nfs/dbraw/zinc/24/25/96/870242596.db2.gz LBLYRTVSRUVTNS-KGLIPLIRSA-N -1 3 385.411 3.543 10 0 GHAEHM COc1c(=O)c2ccc(I)cc2oc1-c1ccc([O-])cc1 ZINC000027858037 204863094 /nfs/dbraw/zinc/86/30/94/204863094.db2.gz NBEAGXDXZLALDG-UHFFFAOYSA-N -1 3 394.164 3.779 10 0 GHAEHM O=S(=O)(c1ccc(-c2cc([O-])cc(Br)c2)cc1)N1CCCC1 ZINC000065343978 205230398 /nfs/dbraw/zinc/23/03/98/205230398.db2.gz NQDWTPMNMAROFG-UHFFFAOYSA-N -1 3 382.279 3.606 10 0 GHAEHM N[C@H](c1ccccc1)[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610570 205286008 /nfs/dbraw/zinc/28/60/08/205286008.db2.gz WJWPTEDHXBVAGO-FGZHOGPDSA-N -1 3 387.435 3.743 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)cc2)n1 ZINC000195488716 888670784 /nfs/dbraw/zinc/67/07/84/888670784.db2.gz WQWCQXWNOAQSNR-CTNGQTDRSA-N -1 3 389.455 3.852 10 0 GHAEHM CN1[C@@H]2CC[C@H]1CC([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C2 ZINC000004321619 204038021 /nfs/dbraw/zinc/03/80/21/204038021.db2.gz KWUDBXYHMNFFKY-PBINXNQUSA-N -1 3 383.728 3.550 10 0 GHAEHM COc1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc(Cl)c1[O-] ZINC000067688497 205254300 /nfs/dbraw/zinc/25/43/00/205254300.db2.gz OMVJGRSNCXJVTQ-OAHLLOKOSA-N -1 3 390.867 3.859 10 0 GHAEHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004130 205205766 /nfs/dbraw/zinc/20/57/66/205205766.db2.gz IFYXDIVUTOUPEC-UHFFFAOYSA-N -1 3 378.450 3.898 10 0 GHAEHM O=c1cc(-c2cccnc2)nc(-c2cccc(CN3CCC(F)(F)CC3)c2)[n-]1 ZINC000048315019 570235096 /nfs/dbraw/zinc/23/50/96/570235096.db2.gz LUZVRMIYNOQIDH-UHFFFAOYSA-N -1 3 382.414 3.730 10 0 GHAEHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccc(Br)c1 ZINC000102889657 860885355 /nfs/dbraw/zinc/88/53/55/860885355.db2.gz YYVPRAGIUFJKQF-UHFFFAOYSA-N -1 3 377.164 3.502 10 0 GHAEHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccc(Br)c1 ZINC000102889657 860885364 /nfs/dbraw/zinc/88/53/64/860885364.db2.gz YYVPRAGIUFJKQF-UHFFFAOYSA-N -1 3 377.164 3.502 10 0 GHAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191530637 884196681 /nfs/dbraw/zinc/19/66/81/884196681.db2.gz FDSNPJFGVYGLQW-CYBMUJFWSA-N -1 3 389.446 3.674 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3cccc4cccnc34)cc2)n1 ZINC000064342160 884228901 /nfs/dbraw/zinc/22/89/01/884228901.db2.gz PQLXPXKOTDLODV-FMIVXFBMSA-N -1 3 382.423 3.945 10 0 GHAEHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179648447 838553334 /nfs/dbraw/zinc/55/33/34/838553334.db2.gz OFHBRLSWEJIWNT-IYZRDUGGSA-N -1 3 386.467 3.677 10 0 GHAEHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2)cc(=O)[n-]1 ZINC000329437145 861423528 /nfs/dbraw/zinc/42/35/28/861423528.db2.gz JHDNYKBXGLNGQM-GOSISDBHSA-N -1 3 378.436 3.640 10 0 GHAEHM C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1n1ccnc1 ZINC000253556572 891882155 /nfs/dbraw/zinc/88/21/55/891882155.db2.gz JRUIFBOSBCKSIN-UKRRQHHQSA-N -1 3 395.488 3.937 10 0 GHAEHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000103001026 885982450 /nfs/dbraw/zinc/98/24/50/885982450.db2.gz HLVZXQKIFRNVOT-CQSZACIVSA-N -1 3 377.444 3.886 10 0 GHAEHM O=C([O-])CCN(Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000701337720 977007780 /nfs/dbraw/zinc/00/77/80/977007780.db2.gz XCNAXJHGAPTQJG-UHFFFAOYSA-N -1 3 375.852 3.978 10 0 GHAEHM Cc1ccc([C@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CCO2)o1 ZINC000159192130 835755354 /nfs/dbraw/zinc/75/53/54/835755354.db2.gz KOBOAXGHPMIJHR-MRXNPFEDSA-N -1 3 397.456 3.720 10 0 GHAEHM Cc1occc1-c1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000104925026 864693818 /nfs/dbraw/zinc/69/38/18/864693818.db2.gz YVBMPFWAWJLXQL-UHFFFAOYSA-N -1 3 380.385 3.913 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2)n1 ZINC000102637785 885973509 /nfs/dbraw/zinc/97/35/09/885973509.db2.gz DHFKESJYZQZXCA-UHFFFAOYSA-N -1 3 382.489 3.681 10 0 GHAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](c2nccs2)C1 ZINC000126222709 886946940 /nfs/dbraw/zinc/94/69/40/886946940.db2.gz UUMNGMMOWYDXTQ-LBPRGKRZSA-N -1 3 396.310 3.700 10 0 GHAEHM C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1n1ccnc1 ZINC000253556571 891881886 /nfs/dbraw/zinc/88/18/86/891881886.db2.gz JRUIFBOSBCKSIN-DZGCQCFKSA-N -1 3 395.488 3.937 10 0 GHAEHM O=c1cc(CN2CCN(c3ccccc3)CC2)nc(-c2cccc(Cl)c2)[n-]1 ZINC000085344933 526333161 /nfs/dbraw/zinc/33/31/61/526333161.db2.gz YKGUFLMBBPDFII-UHFFFAOYSA-N -1 3 380.879 3.825 10 0 GHAEHM O=C([O-])C1CCN([C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000095934645 208240060 /nfs/dbraw/zinc/24/00/60/208240060.db2.gz MRIXFXNPCSKGGI-GOSISDBHSA-N -1 3 389.293 3.925 10 0 GHAEHM Cc1cccc(Cc2c(C)nc(CN(Cc3ccco3)C(=O)C(C)C)[n-]c2=O)c1 ZINC000097949464 570776698 /nfs/dbraw/zinc/77/66/98/570776698.db2.gz ZOCSRBFEONFZKD-UHFFFAOYSA-N -1 3 393.487 3.755 10 0 GHAEHM CCc1cc(=O)[n-]c(-c2ccc(NCc3nnc(-c4ccccc4)s3)nc2)n1 ZINC000301642760 865472971 /nfs/dbraw/zinc/47/29/71/865472971.db2.gz MTTBQDIAMYTGOR-UHFFFAOYSA-N -1 3 390.472 3.937 10 0 GHAEHM O=C([O-])c1ccc(CNC[C@H]2CCN2Cc2ccccc2)c(Br)c1 ZINC000716223324 977820986 /nfs/dbraw/zinc/82/09/86/977820986.db2.gz ROFFFYOBRXPUHL-QGZVFWFLSA-N -1 3 389.293 3.511 10 0 GHAEHM CCOc1cc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)ccc1O ZINC000588412390 841406997 /nfs/dbraw/zinc/40/69/97/841406997.db2.gz QINIXJNTLIDMIZ-WZUFQYTHSA-N -1 3 391.427 3.502 10 0 GHAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)cc(C)nc3Cl)c2)n1 ZINC000181799087 883185338 /nfs/dbraw/zinc/18/53/38/883185338.db2.gz DIDVACZRMNZXMV-UHFFFAOYSA-N -1 3 382.851 3.917 10 0 GHAEHM O=c1[nH]c(-c2cc(Cl)ccc2[O-])nc2ccc(I)cc12 ZINC000035050259 206305750 /nfs/dbraw/zinc/30/57/50/206305750.db2.gz YKUWEBOLBFABEK-UHFFFAOYSA-N -1 3 398.587 3.554 10 0 GHAEHM CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2cccc([O-])c2)C1=O ZINC000001002935 206340668 /nfs/dbraw/zinc/34/06/68/206340668.db2.gz OMDGPBKEAHNZFQ-VHDJGTGISA-N -1 3 396.493 3.885 10 0 GHAEHM Cc1ccc(S(=O)(=O)[N-]c2cc(N)ccc2Cl)c(Br)c1 ZINC000038033762 207259759 /nfs/dbraw/zinc/25/97/59/207259759.db2.gz IYDAZYSRTHAZIC-UHFFFAOYSA-N -1 3 375.675 3.794 10 0 GHAEHM O=S(=O)([N-][C@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915959 870242477 /nfs/dbraw/zinc/24/24/77/870242477.db2.gz LBLYRTVSRUVTNS-KBPBESRZSA-N -1 3 385.411 3.543 10 0 GHAEHM CCO[C@@H]1C[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCCC2 ZINC000121247844 851801562 /nfs/dbraw/zinc/80/15/62/851801562.db2.gz IPNFERTWFWLRGU-DLBZAZTESA-N -1 3 381.476 3.839 10 0 GHAEHM CCO[C@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCCC2 ZINC000121248299 851801608 /nfs/dbraw/zinc/80/16/08/851801608.db2.gz IPNFERTWFWLRGU-SJORKVTESA-N -1 3 381.476 3.839 10 0 GHAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000183999085 883296015 /nfs/dbraw/zinc/29/60/15/883296015.db2.gz SFBVTYLKGUUPEN-UHFFFAOYSA-N -1 3 394.450 3.974 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3coc(-c4cccs4)n3)cc2)n1 ZINC000105955595 886022896 /nfs/dbraw/zinc/02/28/96/886022896.db2.gz XOOSCIPECAPTRM-UHFFFAOYSA-N -1 3 392.440 3.643 10 0 GHAEHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2)cc(=O)[n-]1 ZINC000329437148 861423499 /nfs/dbraw/zinc/42/34/99/861423499.db2.gz JHDNYKBXGLNGQM-SFHVURJKSA-N -1 3 378.436 3.640 10 0 GHAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC4(CCOCC4)c4ccccc43)c[n-]c12 ZINC000191708992 884206381 /nfs/dbraw/zinc/20/63/81/884206381.db2.gz RKQHAXAVKUVCOJ-UHFFFAOYSA-N -1 3 392.430 3.684 10 0 GHAEHM Cc1ccc(-n2c(=O)[n-]c3c(c2=O)[C@@H](c2ccc(Cl)cc2)C(C)(C)O3)cc1 ZINC000001726086 206292222 /nfs/dbraw/zinc/29/22/22/206292222.db2.gz HBZYFFQJVSONDQ-QGZVFWFLSA-N -1 3 382.847 3.791 10 0 GHAEHM O=c1cc(-c2ccccn2)nc(-c2ccccc2CN2CCC(F)(F)CC2)[n-]1 ZINC000023340063 207275568 /nfs/dbraw/zinc/27/55/68/207275568.db2.gz AGKIXKGHGLNZGM-UHFFFAOYSA-N -1 3 382.414 3.730 10 0 GHAEHM O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CCOCC3)cc2)[n-]1 ZINC000082039618 208078394 /nfs/dbraw/zinc/07/83/94/208078394.db2.gz IPQMDJGLIYPQCP-UHFFFAOYSA-N -1 3 381.863 3.590 10 0 GHAEHM CCOc1cc(CNCc2ccc(C(=O)[O-])s2)cc(OCC)c1OCC ZINC000006895927 206691920 /nfs/dbraw/zinc/69/19/20/206691920.db2.gz OLCNVOAQVPBEPH-UHFFFAOYSA-N -1 3 379.478 3.932 10 0 GHAEHM O=S(=O)([N-]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F ZINC000101582111 851691906 /nfs/dbraw/zinc/69/19/06/851691906.db2.gz BYQOTCIYBVUCKD-UHFFFAOYSA-N -1 3 398.818 3.794 10 0 GHAEHM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)Cc3ccccc3)cc2C)s1 ZINC000033007702 570620975 /nfs/dbraw/zinc/62/09/75/570620975.db2.gz SKOHRLVJFZSLOS-UHFFFAOYSA-N -1 3 389.502 3.895 10 0 GHAEHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330307804 843640899 /nfs/dbraw/zinc/64/08/99/843640899.db2.gz LYQUEZMMIAFMNF-AUUYWEPGSA-N -1 3 388.464 3.641 10 0 GHAEHM CCOc1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)cc(Cl)c1[O-] ZINC000186816552 883708793 /nfs/dbraw/zinc/70/87/93/883708793.db2.gz NKINGFBNBAFKAX-UHFFFAOYSA-N -1 3 389.883 3.547 10 0 GHAEHM NC(=O)c1cn(-c2ccc([O-])cc2Cl)c2cc(-c3ccncc3)ccc2c1=O ZINC000027306749 206303496 /nfs/dbraw/zinc/30/34/96/206303496.db2.gz CLRFYTGANQZOBS-UHFFFAOYSA-N -1 3 391.814 3.511 10 0 GHAEHM CCOC(=O)c1[n-]nc(-c2cccc(Cl)c2)c1I ZINC000091691807 208132943 /nfs/dbraw/zinc/13/29/43/208132943.db2.gz LPCMEKLFEJTQAE-UHFFFAOYSA-N -1 3 376.581 3.511 10 0 GHAEHM CCOC(=O)c1n[n-]c(-c2cccc(Cl)c2)c1I ZINC000091691807 208132951 /nfs/dbraw/zinc/13/29/51/208132951.db2.gz LPCMEKLFEJTQAE-UHFFFAOYSA-N -1 3 376.581 3.511 10 0 GHAEHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000103153076 863894929 /nfs/dbraw/zinc/89/49/29/863894929.db2.gz KOFAOZXBSQUCCF-UHFFFAOYSA-N -1 3 399.369 3.509 10 0 GHAEHM N[C@H](c1cccs1)[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071791504 211063529 /nfs/dbraw/zinc/06/35/29/211063529.db2.gz VNLHYZLBHGZOHU-WOJBJXKFSA-N -1 3 393.464 3.804 10 0 GHAEHM CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c([O-])c3c(c21)OC(C)(C)C=C3 ZINC000006381041 570937763 /nfs/dbraw/zinc/93/77/63/570937763.db2.gz QVXVUACNNIWBIU-JHJVBQTASA-N -1 3 388.460 3.969 10 0 biogenic GHAEHM O=S(=O)([N-]CCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1Cl ZINC000103159489 863896257 /nfs/dbraw/zinc/89/62/57/863896257.db2.gz GUQBECLIWUEFNO-UHFFFAOYSA-N -1 3 398.818 3.794 10 0 GHAEHM CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@@H](C)O)c([O-])c3c(c21)OC(C)(C)C=C3 ZINC000006381038 570937760 /nfs/dbraw/zinc/93/77/60/570937760.db2.gz QVXVUACNNIWBIU-YNEHKIRRSA-N -1 3 388.460 3.969 10 0 biogenic GHAEHM O=C([O-])c1ccc(CNC[C@@H]2CCN2Cc2ccccc2)c(Br)c1 ZINC000716223322 977821149 /nfs/dbraw/zinc/82/11/49/977821149.db2.gz ROFFFYOBRXPUHL-KRWDZBQOSA-N -1 3 389.293 3.511 10 0 GHAEHM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)Cc3ccccc3)ccc2s1 ZINC000015870021 210177030 /nfs/dbraw/zinc/17/70/30/210177030.db2.gz FNHSKJKFXGPSEO-UHFFFAOYSA-N -1 3 375.475 3.587 10 0 GHAEHM Cc1c(Cl)cccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000006818361 570284936 /nfs/dbraw/zinc/28/49/36/570284936.db2.gz RLFBSPWOAVDYSD-OAHLLOKOSA-N -1 3 386.926 3.652 10 0 GHAEHM O=S(=O)([N-][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915942 870242570 /nfs/dbraw/zinc/24/25/70/870242570.db2.gz LBLYRTVSRUVTNS-UONOGXRCSA-N -1 3 385.411 3.543 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3nc4c(cccc4C)[nH]3)cc2)n1 ZINC000175819003 882636231 /nfs/dbraw/zinc/63/62/31/882636231.db2.gz CXSIQOPMDLTDOU-UHFFFAOYSA-N -1 3 387.443 3.501 10 0 GHAEHM Cc1cc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)c(C)n1C(C)C ZINC000067769743 211021907 /nfs/dbraw/zinc/02/19/07/211021907.db2.gz MYFPKDGUZSZKKF-UHFFFAOYSA-N -1 3 375.480 3.972 10 0 GHAEHM Cc1cc(-c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)c(C)n1C(C)C ZINC000067769743 211021912 /nfs/dbraw/zinc/02/19/12/211021912.db2.gz MYFPKDGUZSZKKF-UHFFFAOYSA-N -1 3 375.480 3.972 10 0 GHAEHM C[C@@H]1CN(C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117533 882762716 /nfs/dbraw/zinc/76/27/16/882762716.db2.gz SKDPZTDLAYHRLP-CQSZACIVSA-N -1 3 388.895 3.524 10 0 GHAEHM C[C@@]12C[C@@H](CC(C)(C)C1)N(CC(=O)Nc1sc3c(c1C(=O)[O-])CCC3)C2 ZINC000020342496 210329080 /nfs/dbraw/zinc/32/90/80/210329080.db2.gz CFXXCEDZUGUGKD-MPBGBICISA-N -1 3 376.522 3.774 10 0 GHAEHM COc1cccc(-c2cc(=O)[n-]c(NCc3ccc(Br)cc3)n2)c1 ZINC000057341447 525699456 /nfs/dbraw/zinc/69/94/56/525699456.db2.gz XAZNXUIWILQBJU-UHFFFAOYSA-N -1 3 386.249 3.820 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-n4cccc4)c(F)c3)cc2)n1 ZINC000104325869 864263199 /nfs/dbraw/zinc/26/31/99/864263199.db2.gz MPIGMVRTJWLZCI-UHFFFAOYSA-N -1 3 388.402 3.927 10 0 GHAEHM C[C@@H](CC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000112752535 843435154 /nfs/dbraw/zinc/43/51/54/843435154.db2.gz MSXDDJUDOWBJAK-LBPRGKRZSA-N -1 3 379.888 3.594 10 0 GHAEHM Cc1ccccc1-n1cnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000104931941 864725133 /nfs/dbraw/zinc/72/51/33/864725133.db2.gz FPRKGLKXAWMDKY-UHFFFAOYSA-N -1 3 389.440 3.851 10 0 GHAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184001354 883297346 /nfs/dbraw/zinc/29/73/46/883297346.db2.gz FOYSKUAVLNNJPJ-UHFFFAOYSA-N -1 3 380.423 3.584 10 0 GHAEHM C[C@H](N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000687673604 976154342 /nfs/dbraw/zinc/15/43/42/976154342.db2.gz UUIRFUUGGQGARC-AVGNSLFASA-N -1 3 383.514 3.575 10 0 GHAEHM Cc1ccsc1-c1nc(CN2CCc3c(=O)[n-]c(CC4CC4)nc3C2)c(C)o1 ZINC000067723224 211019273 /nfs/dbraw/zinc/01/92/73/211019273.db2.gz WQIMHSZGJZKMOT-UHFFFAOYSA-N -1 3 396.516 3.614 10 0 GHAEHM CC(C)Cc1cc(=O)[n-]c(-c2ccc(CN(C)[C@@H](C)c3ccncn3)cc2)n1 ZINC000023505449 519427948 /nfs/dbraw/zinc/42/79/48/519427948.db2.gz APBASJGSZVCKOT-INIZCTEOSA-N -1 3 377.492 3.618 10 0 GHAEHM Cc1ccc([C@@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[n-]3)CCO2)o1 ZINC000159191990 835754855 /nfs/dbraw/zinc/75/48/55/835754855.db2.gz KOBOAXGHPMIJHR-INIZCTEOSA-N -1 3 397.456 3.720 10 0 GHAEHM CCCCN(Cc1ccccc1Cl)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000102613987 898019131 /nfs/dbraw/zinc/01/91/31/898019131.db2.gz VGWRYMREBZUNRB-UHFFFAOYSA-N -1 3 375.900 3.802 10 0 GHAEHM N[C@@H](c1ccccc1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610563 211049894 /nfs/dbraw/zinc/04/98/94/211049894.db2.gz WJWPTEDHXBVAGO-VXKWHMMOSA-N -1 3 387.435 3.743 10 0 GHAEHM Cc1c(Cl)cccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000006818363 570284958 /nfs/dbraw/zinc/28/49/58/570284958.db2.gz RLFBSPWOAVDYSD-HNNXBMFYSA-N -1 3 386.926 3.652 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)n1 ZINC000102836628 837224509 /nfs/dbraw/zinc/22/45/09/837224509.db2.gz CAHWAIGDNLSKKM-UHFFFAOYSA-N -1 3 375.215 3.699 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccccc3Br)cc2)n1 ZINC000103774986 837343981 /nfs/dbraw/zinc/34/39/81/837343981.db2.gz IHVSTMPARZYKPV-UHFFFAOYSA-N -1 3 398.260 3.689 10 0 GHAEHM C[C@H](CC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000112752536 843435074 /nfs/dbraw/zinc/43/50/74/843435074.db2.gz MSXDDJUDOWBJAK-GFCCVEGCSA-N -1 3 379.888 3.594 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)n1 ZINC000047317334 887310723 /nfs/dbraw/zinc/31/07/23/887310723.db2.gz XFNAFPXBSGPJFD-UHFFFAOYSA-N -1 3 399.454 3.502 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(OC(F)F)cc3)c2)n1 ZINC000053469662 888228182 /nfs/dbraw/zinc/22/81/82/888228182.db2.gz VABXSJPXJRIVHC-UHFFFAOYSA-N -1 3 385.370 3.528 10 0 GHAEHM O=C([O-])C1CCN([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000095934644 211284756 /nfs/dbraw/zinc/28/47/56/211284756.db2.gz MRIXFXNPCSKGGI-SFHVURJKSA-N -1 3 389.293 3.925 10 0 GHAEHM COc1ccccc1CCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000104710423 856373435 /nfs/dbraw/zinc/37/34/35/856373435.db2.gz QBYSECWPSCUFTK-UHFFFAOYSA-N -1 3 395.484 3.928 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)n1 ZINC000104325876 886003203 /nfs/dbraw/zinc/00/32/03/886003203.db2.gz SBIZCENVJCCWCL-UHFFFAOYSA-N -1 3 387.361 3.945 10 0 GHAEHM Cc1nc(C)c(CCC(=O)N=c2cc(C3CCC(C(C)(C)C)CC3)[nH][nH]2)c(=O)[n-]1 ZINC000329304724 834801542 /nfs/dbraw/zinc/80/15/42/834801542.db2.gz AJPQUOALHRECDW-UHFFFAOYSA-N -1 3 399.539 3.835 10 0 GHAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184000212 883295801 /nfs/dbraw/zinc/29/58/01/883295801.db2.gz GBAGNBWOFWSFND-UHFFFAOYSA-N -1 3 380.423 3.584 10 0 GHAEHM Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000187617614 908114233 /nfs/dbraw/zinc/11/42/33/908114233.db2.gz CYJBISJLJUUVNX-AWEZNQCLSA-N -1 3 396.310 3.966 10 0 GHAEHM COc1cccc(-c2cc(=O)[n-]c(NCc3cccc(Br)c3)n2)c1 ZINC000057341431 525698989 /nfs/dbraw/zinc/69/89/89/525698989.db2.gz NXLUJCMRRNQJHD-UHFFFAOYSA-N -1 3 386.249 3.820 10 0 GHAEHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccsc1CC(=O)[O-] ZINC000720021211 978023046 /nfs/dbraw/zinc/02/30/46/978023046.db2.gz LYQGUGPUYNIQNY-KRWDZBQOSA-N -1 3 386.517 3.502 10 0 GHAEHM O=S(=O)([N-]Cc1ccccc1)c1ccc(-c2nnc(C3CCCC3)o2)s1 ZINC000064920742 222088270 /nfs/dbraw/zinc/08/82/70/222088270.db2.gz FZBYYDLFYKRPKF-UHFFFAOYSA-N -1 3 389.502 3.934 10 0 GHAEHM CCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@@H](COC)c3ccccn3)cc2)n1 ZINC000023428776 837073055 /nfs/dbraw/zinc/07/30/55/837073055.db2.gz SBKIVOLPUNTTJC-NRFANRHFSA-N -1 3 392.503 3.604 10 0 GHAEHM COc1ccc(C=C(C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1F ZINC000588437424 842718682 /nfs/dbraw/zinc/71/86/82/842718682.db2.gz GPTPTTALWGVDGD-RAXLEYEMSA-N -1 3 393.418 3.935 10 0 GHAEHM N[C@H](c1ccccc1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610565 222184674 /nfs/dbraw/zinc/18/46/74/222184674.db2.gz WJWPTEDHXBVAGO-FCHUYYIVSA-N -1 3 387.435 3.743 10 0 GHAEHM COc1ccc(-c2c3c(c([O-])c4cc5c(cc42)OCO5)COC3=O)cc1OC ZINC000001574725 212250118 /nfs/dbraw/zinc/25/01/18/212250118.db2.gz ZYUVOQCJYNAWNV-UHFFFAOYSA-N -1 3 380.352 3.629 10 0 biogenic,in-vitro GHAEHM CCO[C@H]1C[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)C12CCCC2 ZINC000121247986 851801586 /nfs/dbraw/zinc/80/15/86/851801586.db2.gz IPNFERTWFWLRGU-IRXDYDNUSA-N -1 3 381.476 3.839 10 0 GHAEHM CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(CC3CCCC3)cc(=O)[n-]2)c1 ZINC000082039392 570787169 /nfs/dbraw/zinc/78/71/69/570787169.db2.gz BPIGRUHIVUEOQB-UHFFFAOYSA-N -1 3 377.492 3.525 10 0 GHAEHM CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@H](C)O)c([O-])c3c(c21)OC(C)(C)C=C3 ZINC000238732414 570913899 /nfs/dbraw/zinc/91/38/99/570913899.db2.gz QVXVUACNNIWBIU-RWMBFGLXSA-N -1 3 388.460 3.969 10 0 biogenic GHAEHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330307805 843641946 /nfs/dbraw/zinc/64/19/46/843641946.db2.gz LYQUEZMMIAFMNF-IFXJQAMLSA-N -1 3 388.464 3.641 10 0 GHAEHM O=S(=O)(/C=C/c1cccc(Br)c1)[N-]c1cnc(C2CC2)nc1 ZINC000103059819 871160804 /nfs/dbraw/zinc/16/08/04/871160804.db2.gz XANSJSRBPYKWJO-VOTSOKGWSA-N -1 3 380.267 3.529 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc(-n4ccnc4)cc3)cc2)n1 ZINC000104325845 886001234 /nfs/dbraw/zinc/00/12/34/886001234.db2.gz RHVSJEGJYQTEES-NYYWCZLTSA-N -1 3 397.438 3.583 10 0 GHAEHM C[C@@H](NCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000720645685 978048910 /nfs/dbraw/zinc/04/89/10/978048910.db2.gz XMHDHQKAJBJGAK-RLAWYHOSSA-N -1 3 395.525 3.670 10 0 GHAEHM O=S(=O)([N-]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)s1 ZINC000101582156 851691837 /nfs/dbraw/zinc/69/18/37/851691837.db2.gz ZBWPZKJPBUBHHB-UHFFFAOYSA-N -1 3 386.857 3.717 10 0 GHAEHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1Br ZINC000008500162 221043097 /nfs/dbraw/zinc/04/30/97/221043097.db2.gz ICSRZTVKTUQRNW-SECBINFHSA-N -1 3 376.222 3.767 10 0 GHAEHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330307806 843641762 /nfs/dbraw/zinc/64/17/62/843641762.db2.gz LYQUEZMMIAFMNF-KUHUBIRLSA-N -1 3 388.464 3.641 10 0 GHAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103497449 881229104 /nfs/dbraw/zinc/22/91/04/881229104.db2.gz UEUPFBZLJVZTDY-NSHDSACASA-N -1 3 387.958 3.922 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(OC(C)C)cc3)cc2)n1 ZINC000187119578 883748923 /nfs/dbraw/zinc/74/89/23/883748923.db2.gz XILDSPPMSLXKFL-UHFFFAOYSA-N -1 3 377.444 3.714 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)cc2)n1 ZINC000195488712 888670445 /nfs/dbraw/zinc/67/04/45/888670445.db2.gz WQWCQXWNOAQSNR-PZJWPPBQSA-N -1 3 389.455 3.852 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)n1 ZINC000195488706 888670544 /nfs/dbraw/zinc/67/05/44/888670544.db2.gz WQWCQXWNOAQSNR-TZIWHRDSSA-N -1 3 389.455 3.852 10 0 GHAEHM Cc1ccc(-n2c(=O)[n-]c3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C)(C)O3)cc1 ZINC000005052947 212146050 /nfs/dbraw/zinc/14/60/50/212146050.db2.gz HBZYFFQJVSONDQ-KRWDZBQOSA-N -1 3 382.847 3.791 10 0 GHAEHM CCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n[nH]1 ZINC000102785107 884454504 /nfs/dbraw/zinc/45/45/04/884454504.db2.gz FOTWUNFMCSWXEF-UHFFFAOYSA-N -1 3 398.488 3.642 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)cc2)n1 ZINC000195488718 888670472 /nfs/dbraw/zinc/67/04/72/888670472.db2.gz WQWCQXWNOAQSNR-FPOVZHCZSA-N -1 3 389.455 3.852 10 0 GHAEHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000246489910 891274098 /nfs/dbraw/zinc/27/40/98/891274098.db2.gz MEZBMPQYECIXIV-HWWDLCQESA-N -1 3 376.884 3.659 10 0 GHAEHM CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2[O-])C1=O ZINC000001249430 212232311 /nfs/dbraw/zinc/23/23/11/212232311.db2.gz JWKNOIAQZANLBH-RQGFIEOQSA-N -1 3 396.493 3.885 10 0 GHAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2)n1 ZINC000103386299 885992179 /nfs/dbraw/zinc/99/21/79/885992179.db2.gz JDNRZGWOKSDZHI-UHFFFAOYSA-N -1 3 393.205 3.839 10 0 GHAEHM C[C@H]1CN(C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117550 882762829 /nfs/dbraw/zinc/76/28/29/882762829.db2.gz SKDPZTDLAYHRLP-AWEZNQCLSA-N -1 3 388.895 3.524 10 0 GHAEHM Cn1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nnc1-c1cccs1 ZINC000105364187 870612293 /nfs/dbraw/zinc/61/22/93/870612293.db2.gz FXQJYNQWOWFWOL-UHFFFAOYSA-N -1 3 395.469 3.819 10 0 GHAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000126222940 886947207 /nfs/dbraw/zinc/94/72/07/886947207.db2.gz UUMNGMMOWYDXTQ-GFCCVEGCSA-N -1 3 396.310 3.700 10 0 GHAEHM COc1ccc(-c2cc(=O)[n-]c(NCc3cccc(Br)c3)n2)cc1 ZINC000057341452 523090422 /nfs/dbraw/zinc/09/04/22/523090422.db2.gz YRHMAGTUNQYBQG-UHFFFAOYSA-N -1 3 386.249 3.820 10 0 GHAEHM CN(Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1)Cc1cccnc1 ZINC000048175404 570220116 /nfs/dbraw/zinc/22/01/16/570220116.db2.gz VUWYCQVUOVJFQA-UHFFFAOYSA-N -1 3 383.455 3.526 10 0 GHAEHM CCC(=O)N(Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(=O)[n-]1)C1CC1 ZINC000096318008 570228986 /nfs/dbraw/zinc/22/89/86/570228986.db2.gz PZMVFKAIEBSWSU-UHFFFAOYSA-N -1 3 393.409 3.589 10 0 GHAEHM Cc1ccc(Cn2c3nnc(-c4ccccc4[O-])n3c3ccccc3c2=O)cc1 ZINC000006781151 570283815 /nfs/dbraw/zinc/28/38/15/570283815.db2.gz ZMFJFZVYKDLJDL-UHFFFAOYSA-N -1 3 382.423 3.774 10 0 GHAEHM Cc1cccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000006819366 570405099 /nfs/dbraw/zinc/40/50/99/570405099.db2.gz DXJDGZDDEAVLSB-UHFFFAOYSA-N -1 3 392.546 3.780 10 0 GHAEHM