smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccccc1Cl)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000004163598 204124830 /nfs/dbraw/zinc/12/48/30/204124830.db2.gz LETUVIFYFAIFPM-ABAIWWIYSA-N -1 3 360.763 3.983 40 0 FHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 ZINC000010112383 204391079 /nfs/dbraw/zinc/39/10/79/204391079.db2.gz QNRAJDCCLILDCJ-UHFFFAOYSA-N -1 3 367.854 3.767 40 0 FHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000044899918 205112927 /nfs/dbraw/zinc/11/29/27/205112927.db2.gz DFYHANLOXCNBSR-UHFFFAOYSA-N -1 3 359.234 3.617 40 0 FHABHM Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc([O-])cc3)o2)cc1 ZINC000001224355 206145601 /nfs/dbraw/zinc/14/56/01/206145601.db2.gz WKPNXWPNSITKFL-LBPRGKRZSA-N -1 3 355.419 3.870 40 0 FHABHM CCOc1ccc(NCc2n[n-]c(=S)n2-c2ccc(OC)cc2)cc1 ZINC000005444563 206194476 /nfs/dbraw/zinc/19/44/76/206194476.db2.gz ZULDEQIUFHGWAL-UHFFFAOYSA-N -1 3 356.451 3.575 40 0 FHABHM O=S(=O)([N-]Cc1ccccc1)c1ccc(Br)cc1Cl ZINC000007308275 206245082 /nfs/dbraw/zinc/24/50/82/206245082.db2.gz FAOPWXRMUJFOCP-UHFFFAOYSA-N -1 3 360.660 3.581 40 0 FHABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1Cl ZINC000020453227 521444076 /nfs/dbraw/zinc/44/40/76/521444076.db2.gz KUPSCDLEJFXXBK-UHFFFAOYSA-N -1 3 371.817 3.598 40 0 FHABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000223317331 568639287 /nfs/dbraw/zinc/63/92/87/568639287.db2.gz FDXQEZFNCFUGHQ-UHFFFAOYSA-N -1 3 373.217 3.537 40 0 FHABHM CCSCC[C@]1(CCC(C)C)C(=O)N=C(Nc2ccccc2)[N-]C1=O ZINC000001705158 570504761 /nfs/dbraw/zinc/50/47/61/570504761.db2.gz NQSLPNCOKGTOKY-UHFFFAOYSA-N -1 3 361.511 3.677 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(C)C ZINC000007360531 570588055 /nfs/dbraw/zinc/58/80/55/570588055.db2.gz DHELHWCWNLJWKD-UHFFFAOYSA-N -1 3 362.451 3.578 40 0 FHABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000011582416 570703707 /nfs/dbraw/zinc/70/37/07/570703707.db2.gz NWAYJQLHBBIFSC-UFYCRDLUSA-N -1 3 374.396 3.639 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Cl)[C@]2([O-])C(F)(F)F ZINC000409174859 570735591 /nfs/dbraw/zinc/73/55/91/570735591.db2.gz WGRJPBDCBYVECI-XDMRBOTDSA-N -1 3 360.763 3.839 40 0 FHABHM O=c1cc([C@H]2CCCCN2Cc2ccccc2F)nc(-c2cccnc2)[n-]1 ZINC000019349094 570886642 /nfs/dbraw/zinc/88/66/42/570886642.db2.gz JXFVUIMHBPFPDC-LJQANCHMSA-N -1 3 364.424 3.698 40 0 FHABHM CC(C)CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019446616 570889259 /nfs/dbraw/zinc/88/92/59/570889259.db2.gz FNTKAMIZNVGANF-SFHVURJKSA-N -1 3 371.456 3.623 40 0 FHABHM Cc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1C ZINC000020042429 570908961 /nfs/dbraw/zinc/90/89/61/570908961.db2.gz DNBDPYIZCKRYHV-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1ccc(C)c(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000224003291 570974341 /nfs/dbraw/zinc/97/43/41/570974341.db2.gz YBHREDKPYIXCEZ-UHFFFAOYSA-N -1 3 374.289 3.968 40 0 FHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)c1 ZINC000029046158 571036423 /nfs/dbraw/zinc/03/64/23/571036423.db2.gz SIRCYWIPAHZBHZ-UHFFFAOYSA-N -1 3 370.268 3.875 40 0 FHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000033933079 571066982 /nfs/dbraw/zinc/06/69/82/571066982.db2.gz DWVOMDZPOYNWFD-UHFFFAOYSA-N -1 3 361.850 3.980 40 0 FHABHM Cc1cnc([N-]c2nccnc2[C@H]2CCCN(Cc3cncs3)C2)s1 ZINC000257235829 571152879 /nfs/dbraw/zinc/15/28/79/571152879.db2.gz GZRUFIOIFWPSOY-ZDUSSCGKSA-N -1 3 372.523 3.821 40 0 FHABHM Cc1nnc([N-]c2cncc([C@H]3CCCN3CCc3ccccc3)n2)s1 ZINC000072376242 571186085 /nfs/dbraw/zinc/18/60/85/571186085.db2.gz MWELSAJZSKARDY-QGZVFWFLSA-N -1 3 366.494 3.760 40 0 FHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000006929477 571297387 /nfs/dbraw/zinc/29/73/87/571297387.db2.gz ORRXDEUHDUNKPH-ZDUSSCGKSA-N -1 3 353.871 3.648 40 0 FHABHM Cc1cccn2c(CN3CCC(C(=O)[O-])CC3)c(-c3ccc(F)cc3)nc12 ZINC000002599744 204045191 /nfs/dbraw/zinc/04/51/91/204045191.db2.gz DCBQAUHHCMZYOC-UHFFFAOYSA-N -1 3 367.424 3.745 40 0 FHABHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000135635227 206127902 /nfs/dbraw/zinc/12/79/02/206127902.db2.gz QCUURPHWUYQVRL-UHFFFAOYSA-N -1 3 373.261 3.777 40 0 FHABHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007375123 206244479 /nfs/dbraw/zinc/24/44/79/206244479.db2.gz HEDPORLSZSOERE-NSHDSACASA-N -1 3 374.325 3.810 40 0 FHABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102727383 206229400 /nfs/dbraw/zinc/22/94/00/206229400.db2.gz SXZFTHLDQXMSFV-XUVXKRRUSA-N -1 3 364.445 3.864 40 0 FHABHM CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747142 206350477 /nfs/dbraw/zinc/35/04/77/206350477.db2.gz KLOYZXFPIGMFNV-ZWKOTPCHSA-N -1 3 370.449 3.565 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1OC ZINC000007402194 263351351 /nfs/dbraw/zinc/35/13/51/263351351.db2.gz FGQNBFROHSCJND-UHFFFAOYSA-N -1 3 362.234 3.811 40 0 FHABHM COc1cc(CNc2ccccc2)cc(I)c1[O-] ZINC000409122393 263529925 /nfs/dbraw/zinc/52/99/25/263529925.db2.gz XTVSOHOEWAHNDE-UHFFFAOYSA-N -1 3 355.175 3.618 40 0 FHABHM COC(=O)/C=C/c1ccc(Oc2cc(/C=C/C(=O)OC)ccc2[O-])cc1 ZINC000253394360 560040464 /nfs/dbraw/zinc/04/04/64/560040464.db2.gz AZWDYQAXTFHTDF-GNXRPPCSSA-N -1 3 354.358 3.557 40 0 biogenic,in-vitro FHABHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ncccc1[O-] ZINC000057313291 568272266 /nfs/dbraw/zinc/27/22/66/568272266.db2.gz WKYIXIAHFZPGQE-PKNBQFBNSA-N -1 3 365.414 3.574 40 0 FHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1C ZINC000223801911 568732825 /nfs/dbraw/zinc/73/28/25/568732825.db2.gz VGDBRYXNRMJDPA-UHFFFAOYSA-N -1 3 374.245 3.889 40 0 FHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2 ZINC000409051540 570716838 /nfs/dbraw/zinc/71/68/38/570716838.db2.gz AQHBXMDWQXNEII-IFIJOSMWSA-N -1 3 354.372 3.505 40 0 FHABHM CCc1c(C)nc2cc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)[n-]n2c1=O ZINC000012276371 570731812 /nfs/dbraw/zinc/73/18/12/570731812.db2.gz LEFNFKYOZNCZSY-CQSZACIVSA-N -1 3 372.419 3.573 40 0 FHABHM Cc1cc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409182101 570736937 /nfs/dbraw/zinc/73/69/37/570736937.db2.gz IVQNOFIOPJGOIC-ABAIWWIYSA-N -1 3 360.763 3.901 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)CCc1ccccc1)[C@@]2([O-])C(F)(F)F ZINC000409183831 570737327 /nfs/dbraw/zinc/73/73/27/570737327.db2.gz VIRFGNFKMHKNRO-MRRJBJDNSA-N -1 3 354.372 3.505 40 0 FHABHM CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1[O-] ZINC000409411571 570757535 /nfs/dbraw/zinc/75/75/35/570757535.db2.gz JLMJMQRTRPJOAS-UHFFFAOYSA-N -1 3 372.425 3.541 40 0 FHABHM O=C(CC1CCCC1)N1CCC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000013267921 570775814 /nfs/dbraw/zinc/77/58/14/570775814.db2.gz RJMGZTIJVZDAAR-MRXNPFEDSA-N -1 3 366.465 3.531 40 0 FHABHM O=C(CC1CCCC1)N1CCC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000013267923 570776011 /nfs/dbraw/zinc/77/60/11/570776011.db2.gz RJMGZTIJVZDAAR-INIZCTEOSA-N -1 3 366.465 3.531 40 0 FHABHM O=c1cc([C@@H]2CCCCN2Cc2ccccc2F)nc(-c2ccccn2)[n-]1 ZINC000019349088 570886972 /nfs/dbraw/zinc/88/69/72/570886972.db2.gz MVVQWKSLIORSQV-IBGZPJMESA-N -1 3 364.424 3.698 40 0 FHABHM C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(N[C@@H](C)c2ccccc2)n1 ZINC000019457416 570889686 /nfs/dbraw/zinc/88/96/86/570889686.db2.gz VFZAXPOJJUJJBU-STQMWFEESA-N -1 3 357.845 3.597 40 0 FHABHM Cc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000022532308 570946117 /nfs/dbraw/zinc/94/61/17/570946117.db2.gz FHCOOXIUAQHXKJ-UHFFFAOYSA-N -1 3 373.261 3.926 40 0 FHABHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000223980456 570973828 /nfs/dbraw/zinc/97/38/28/570973828.db2.gz ZBUPLDOQJXEBTO-UHFFFAOYSA-N -1 3 374.289 3.968 40 0 FHABHM Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224590223 570993430 /nfs/dbraw/zinc/99/34/30/570993430.db2.gz MASRMBZFEKVNEB-ZWKOTPCHSA-N -1 3 351.431 3.866 40 0 FHABHM Cc1cnc([N-]c2nccnc2[C@H]2CCCN(Cc3cscn3)C2)s1 ZINC000257265788 571156098 /nfs/dbraw/zinc/15/60/98/571156098.db2.gz MAGDMIWAYXGHEG-ZDUSSCGKSA-N -1 3 372.523 3.821 40 0 FHABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1Cl)N2 ZINC000020034145 571304795 /nfs/dbraw/zinc/30/47/95/571304795.db2.gz SZVRVRXHGKJCFY-XDMRBOTDSA-N -1 3 360.763 3.839 40 0 FHABHM CCn1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000006356724 204246228 /nfs/dbraw/zinc/24/62/28/204246228.db2.gz ZYSDXUREDJKZPW-UHFFFAOYSA-N -1 3 352.181 3.512 40 0 FHABHM CCn1nnc([N-]C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000006356726 204246271 /nfs/dbraw/zinc/24/62/71/204246271.db2.gz WLGPUUQPRQBCAV-UHFFFAOYSA-N -1 3 352.181 3.512 40 0 FHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000010393870 204395701 /nfs/dbraw/zinc/39/57/01/204395701.db2.gz VAQJCFHLTWJOSV-UHFFFAOYSA-N -1 3 366.442 3.562 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2F)c(Cl)c1Cl ZINC000113935655 206093085 /nfs/dbraw/zinc/09/30/85/206093085.db2.gz RMJFYNMQOKPHAW-UHFFFAOYSA-N -1 3 364.225 3.620 40 0 FHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000078234735 521286457 /nfs/dbraw/zinc/28/64/57/521286457.db2.gz HNEQPBAIPZBWDV-UHFFFAOYSA-N -1 3 360.479 3.813 40 0 FHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(C)c1 ZINC000408586623 570566357 /nfs/dbraw/zinc/56/63/57/570566357.db2.gz ARXRNWLSTVNPDP-UHFFFAOYSA-N -1 3 360.479 3.551 40 0 FHABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3[O-])oc2c1 ZINC000408627701 570593348 /nfs/dbraw/zinc/59/33/48/570593348.db2.gz NDKAWAGFZLBLNT-UHFFFAOYSA-N -1 3 369.446 3.978 40 0 FHABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CCCc1ccccc1)N2 ZINC000409056812 570716821 /nfs/dbraw/zinc/71/68/21/570716821.db2.gz OCBAPACYDQHWTD-QIIPPGSGSA-N -1 3 368.399 3.895 40 0 FHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000409101222 570724498 /nfs/dbraw/zinc/72/44/98/570724498.db2.gz SCWOWPMWTRLJEG-PBFPGSCMSA-N -1 3 369.387 3.607 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Cl)c1)[C@@]2([O-])C(F)(F)F ZINC000409173057 570735124 /nfs/dbraw/zinc/73/51/24/570735124.db2.gz LGSYHAFFMJJPAV-BCQZVRRWSA-N -1 3 360.763 3.839 40 0 FHABHM CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1[O-] ZINC000409411937 570757509 /nfs/dbraw/zinc/75/75/09/570757509.db2.gz NYKQMHWXLKNLTE-UHFFFAOYSA-N -1 3 368.462 3.710 40 0 FHABHM Cn1c(SCC(=O)Nc2ccc(Cl)cc2[O-])nnc1-c1ccccc1 ZINC000113688262 570824441 /nfs/dbraw/zinc/82/44/41/570824441.db2.gz OJKDLGIHFOIHJS-UHFFFAOYSA-N -1 3 374.853 3.572 40 0 FHABHM COc1ccc(-c2cc(=O)[n-]c(NC(=N)Nc3cccc(C)c3C)n2)cc1 ZINC000017074745 570869563 /nfs/dbraw/zinc/86/95/63/570869563.db2.gz LCQBFKLSAAZOAJ-UHFFFAOYSA-N -1 3 363.421 3.521 40 0 FHABHM C/C(=C\c1ccccc1)CN1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019014344 570879350 /nfs/dbraw/zinc/87/93/50/570879350.db2.gz XKBHAUROYYDXAC-UMEYKSNOSA-N -1 3 372.472 3.725 40 0 FHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000020107266 570910248 /nfs/dbraw/zinc/91/02/48/570910248.db2.gz UGXYXPMCUICKPT-UHFFFAOYSA-N -1 3 374.245 3.971 40 0 FHABHM Cc1cccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1C ZINC000223933608 570972186 /nfs/dbraw/zinc/97/21/86/570972186.db2.gz WOBUXDCHTCLGFF-UHFFFAOYSA-N -1 3 371.861 3.594 40 0 FHABHM CCCC[C@H](CC)CNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000224412038 570987845 /nfs/dbraw/zinc/98/78/45/570987845.db2.gz PUZMZVXTZTUSAY-LBPRGKRZSA-N -1 3 360.907 3.658 40 0 FHABHM CCCC[C@@H](CC)CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000224406127 570987252 /nfs/dbraw/zinc/98/72/52/570987252.db2.gz QEBZXWSAMOTKFV-GFCCVEGCSA-N -1 3 360.907 3.658 40 0 FHABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224590139 570993359 /nfs/dbraw/zinc/99/33/59/570993359.db2.gz MASRMBZFEKVNEB-QZTJIDSGSA-N -1 3 351.431 3.866 40 0 FHABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)[nH]1 ZINC000224592645 570993993 /nfs/dbraw/zinc/99/39/93/570993993.db2.gz PDTKQXCIKXPEKF-RTBURBONSA-N -1 3 364.474 3.909 40 0 FHABHM Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])n1C ZINC000224597521 570994082 /nfs/dbraw/zinc/99/40/82/570994082.db2.gz VDSMNALANHLMBY-OALUTQOASA-N -1 3 364.474 3.611 40 0 FHABHM CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224620528 570994675 /nfs/dbraw/zinc/99/46/75/570994675.db2.gz QFCOVOHKQZHMJY-RTBURBONSA-N -1 3 364.474 3.786 40 0 FHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013564329 571108280 /nfs/dbraw/zinc/10/82/80/571108280.db2.gz QNIQCNVCVMLXAZ-HKBOAZHASA-N -1 3 370.408 3.738 40 0 FHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccncn3)C2)o1 ZINC000257276686 571157309 /nfs/dbraw/zinc/15/73/09/571157309.db2.gz NUSJEWUCBCGLSZ-OAHLLOKOSA-N -1 3 363.417 3.814 40 0 FHABHM Cn1cncc1-c1cccc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)n1 ZINC000257279316 571157525 /nfs/dbraw/zinc/15/75/25/571157525.db2.gz OGAMLUBVOWXLGC-LJQANCHMSA-N -1 3 362.433 3.517 40 0 FHABHM Cc1ccc([C@H](C)CCN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)o1 ZINC000072339830 571179108 /nfs/dbraw/zinc/17/91/08/571179108.db2.gz HJGUWYQNISKYNZ-CQSZACIVSA-N -1 3 364.449 3.698 40 0 FHABHM O=c1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392820 571190214 /nfs/dbraw/zinc/19/02/14/571190214.db2.gz FLXMYAWRRDUTKN-UHFFFAOYSA-N -1 3 364.424 3.763 40 0 FHABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1Cl ZINC000078404010 571216152 /nfs/dbraw/zinc/21/61/52/571216152.db2.gz QCNMJVJTDFBOQD-JTQLQIEISA-N -1 3 352.843 3.506 40 0 FHABHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl ZINC000008333643 571300895 /nfs/dbraw/zinc/30/08/95/571300895.db2.gz ICLJFLMZZRYHQS-UHFFFAOYSA-N -1 3 367.854 3.853 40 0 FHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)c(C)c1 ZINC000005329537 204203707 /nfs/dbraw/zinc/20/37/07/204203707.db2.gz JWPUSSMCZMTIPP-UHFFFAOYSA-N -1 3 372.490 3.848 40 0 FHABHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)Nc1cccc(Cl)c1 ZINC000035313303 204238314 /nfs/dbraw/zinc/23/83/14/204238314.db2.gz GBZKITKSEYVIIZ-UHFFFAOYSA-N -1 3 361.810 3.826 40 0 FHABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000038753443 205042124 /nfs/dbraw/zinc/04/21/24/205042124.db2.gz QCVQPRIFYCQHQQ-UHFFFAOYSA-N -1 3 374.245 3.722 40 0 FHABHM Cc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1C ZINC000044880413 205113341 /nfs/dbraw/zinc/11/33/41/205113341.db2.gz YCZABFHFEKEWST-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1ccc(S(=O)(=O)C(CN2CCCCC2)=C([O-])c2ccccc2)cc1 ZINC000055107247 205207443 /nfs/dbraw/zinc/20/74/43/205207443.db2.gz RBFYUNLUTIBTEA-HXUWFJFHSA-N -1 3 371.502 3.506 40 0 FHABHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc([O-])cc2)o1 ZINC000004217810 206172299 /nfs/dbraw/zinc/17/22/99/206172299.db2.gz POOYOJMZFKOYKM-LBPRGKRZSA-N -1 3 367.430 3.512 40 0 FHABHM O=c1[n-]c(=O)c2sc(SCc3ccc(Cl)c(Cl)c3)nc2[nH]1 ZINC000004987573 206185246 /nfs/dbraw/zinc/18/52/46/206185246.db2.gz VRFZEWXVNRUVMH-UHFFFAOYSA-N -1 3 360.247 3.684 40 0 FHABHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747097 206349819 /nfs/dbraw/zinc/34/98/19/206349819.db2.gz KLOYZXFPIGMFNV-QZTJIDSGSA-N -1 3 370.449 3.565 40 0 FHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409055424 263521592 /nfs/dbraw/zinc/52/15/92/263521592.db2.gz BUIVTZFLZAJYPE-LYSGOOTNSA-N -1 3 360.763 3.839 40 0 FHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C)cc2)cc1Cl ZINC000216389030 521520469 /nfs/dbraw/zinc/52/04/69/521520469.db2.gz KXFDPBBJYFKYFS-UHFFFAOYSA-N -1 3 367.854 3.767 40 0 FHABHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000223270465 568632608 /nfs/dbraw/zinc/63/26/08/568632608.db2.gz BOYZYGRBRSDFNL-UHFFFAOYSA-N -1 3 373.261 3.777 40 0 FHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223658687 568692586 /nfs/dbraw/zinc/69/25/86/568692586.db2.gz GSGDGDPAAFEWBN-UHFFFAOYSA-N -1 3 361.463 3.990 40 0 FHABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000408586325 570566346 /nfs/dbraw/zinc/56/63/46/570566346.db2.gz BDYBKZHFZFRUIG-UHFFFAOYSA-N -1 3 365.430 3.500 40 0 FHABHM Cc1cccc(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)c1 ZINC000012142907 570721756 /nfs/dbraw/zinc/72/17/56/570721756.db2.gz WWZQQYZHHBJZJU-UHFFFAOYSA-N -1 3 350.466 3.599 40 0 FHABHM O=C([N-]c1sc2c(c1C(=O)Nc1cccnc1)CCCC2)C(F)(F)F ZINC000409119619 570727648 /nfs/dbraw/zinc/72/76/48/570727648.db2.gz TVZYRZCIZMGPSR-UHFFFAOYSA-N -1 3 369.368 3.775 40 0 FHABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409359768 570753376 /nfs/dbraw/zinc/75/33/76/570753376.db2.gz NNNAZEJKJGBLAR-INIZCTEOSA-N -1 3 374.428 3.949 40 0 FHABHM O=c1cc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccccn2)[n-]1 ZINC000019402747 570888408 /nfs/dbraw/zinc/88/84/08/570888408.db2.gz JIVTXHYSWQABRC-IBGZPJMESA-N -1 3 364.424 3.698 40 0 FHABHM O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccccn2)[n-]1 ZINC000019402755 570888622 /nfs/dbraw/zinc/88/86/22/570888622.db2.gz IGSJAZYADOWPOR-LJQANCHMSA-N -1 3 364.424 3.698 40 0 FHABHM O=c1cc([C@@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccccn2)[n-]1 ZINC000019402752 570888780 /nfs/dbraw/zinc/88/87/80/570888780.db2.gz IGSJAZYADOWPOR-IBGZPJMESA-N -1 3 364.424 3.698 40 0 FHABHM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000020482094 570917601 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COc1ccc(Cl)cc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000225838204 571072778 /nfs/dbraw/zinc/07/27/78/571072778.db2.gz OGGBMDCYOKRTHT-UHFFFAOYSA-N -1 3 355.887 3.596 40 0 FHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)cc1 ZINC000101073435 571097367 /nfs/dbraw/zinc/09/73/67/571097367.db2.gz ZUPSITHYXMCPQV-AQNXPRMDSA-N -1 3 364.445 3.720 40 0 FHABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(Br)c1OC ZINC000575410951 571147902 /nfs/dbraw/zinc/14/79/02/571147902.db2.gz PTFNLUGTYZBYQH-UHFFFAOYSA-N -1 3 361.195 3.782 40 0 FHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](c3ccncn3)C2)o1 ZINC000257276685 571157268 /nfs/dbraw/zinc/15/72/68/571157268.db2.gz NUSJEWUCBCGLSZ-HNNXBMFYSA-N -1 3 363.417 3.814 40 0 FHABHM O=c1cc(C2CCN(Cc3ccsc3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392707 571190401 /nfs/dbraw/zinc/19/04/01/571190401.db2.gz LGCJWBQUZZFJQG-UHFFFAOYSA-N -1 3 352.463 3.685 40 0 FHABHM CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013142180 571323114 /nfs/dbraw/zinc/32/31/14/571323114.db2.gz TYGWXDDSOQBXNU-UFYCRDLUSA-N -1 3 364.445 3.864 40 0 FHABHM Cc1cc(NC(=S)NC(=O)C(C)C)cc(-c2nc3ccccc3o2)c1[O-] ZINC000006613128 204257444 /nfs/dbraw/zinc/25/74/44/204257444.db2.gz PCXPZNBPVDJRSE-UHFFFAOYSA-N -1 3 369.446 3.978 40 0 FHABHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000007309655 204293549 /nfs/dbraw/zinc/29/35/49/204293549.db2.gz DNJORIQEWHEAFT-JTQLQIEISA-N -1 3 360.298 3.593 40 0 FHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000007404722 204296751 /nfs/dbraw/zinc/29/67/51/204296751.db2.gz QAOKNFFTOZGUGM-UHFFFAOYSA-N -1 3 353.827 3.544 40 0 FHABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])o2)c1C ZINC000000850360 206135795 /nfs/dbraw/zinc/13/57/95/206135795.db2.gz CXXSXLHUZFBTHT-UHFFFAOYSA-N -1 3 355.419 3.790 40 0 FHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000192705607 206328122 /nfs/dbraw/zinc/32/81/22/206328122.db2.gz DYQDRDAOVFSHMC-UHFFFAOYSA-N -1 3 368.458 3.872 40 0 FHABHM O=C(NCc1cccn1-c1ccccc1)c1ccc2[n-]c(Cl)nc2c1 ZINC000225984539 206507099 /nfs/dbraw/zinc/50/70/99/206507099.db2.gz ASIKLLUELSDXRK-UHFFFAOYSA-N -1 3 350.809 3.937 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2C)c(Cl)c1Cl ZINC000008571094 263355994 /nfs/dbraw/zinc/35/59/94/263355994.db2.gz YXLYJGNEBNMQDO-UHFFFAOYSA-N -1 3 360.262 3.789 40 0 FHABHM Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000010314946 263365152 /nfs/dbraw/zinc/36/51/52/263365152.db2.gz YXDCEMCYJAVETQ-UHFFFAOYSA-N -1 3 373.261 3.926 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F ZINC000032585567 263393679 /nfs/dbraw/zinc/39/36/79/263393679.db2.gz WAMKYCGWZBTTGE-UHFFFAOYSA-N -1 3 350.198 3.942 40 0 FHABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)c1 ZINC000100766550 570507784 /nfs/dbraw/zinc/50/77/84/570507784.db2.gz UUGGYUOCROHAJQ-AABGKKOBSA-N -1 3 374.396 3.639 40 0 FHABHM CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1[O-] ZINC000006944468 570573216 /nfs/dbraw/zinc/57/32/16/570573216.db2.gz LVZLJFQQLNEBHP-MDWZMJQESA-N -1 3 372.808 3.999 40 0 FHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2 ZINC000409051543 570716804 /nfs/dbraw/zinc/71/68/04/570716804.db2.gz AQHBXMDWQXNEII-MRRJBJDNSA-N -1 3 354.372 3.505 40 0 FHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000409101220 570724491 /nfs/dbraw/zinc/72/44/91/570724491.db2.gz SCWOWPMWTRLJEG-IGCXYCKISA-N -1 3 369.387 3.607 40 0 FHABHM O=C(c1cccc(F)c1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000409113332 570726044 /nfs/dbraw/zinc/72/60/44/570726044.db2.gz HLYWFOFICXVKHD-INIZCTEOSA-N -1 3 358.335 3.859 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1cccc(Cl)c1)[C@]2([O-])C(F)(F)F ZINC000409173058 570735605 /nfs/dbraw/zinc/73/56/05/570735605.db2.gz LGSYHAFFMJJPAV-DDHOLCJHSA-N -1 3 360.763 3.839 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccc(Cl)cc1)[C@]2([O-])C(F)(F)F ZINC000409181862 570736868 /nfs/dbraw/zinc/73/68/68/570736868.db2.gz GCSWADDBLXVKCC-MURWCNHISA-N -1 3 360.763 3.839 40 0 FHABHM O=C1c2cccc3c(N4CCCC4)ccc(c32)C(=O)N1c1ccc([O-])cc1 ZINC000000848845 570762492 /nfs/dbraw/zinc/76/24/92/570762492.db2.gz WUSMQAATEOKEIU-UHFFFAOYSA-N -1 3 358.397 3.946 40 0 FHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1OCC ZINC000007927675 570792803 /nfs/dbraw/zinc/79/28/03/570792803.db2.gz ISARURSKBRFPOX-UHFFFAOYSA-N -1 3 355.843 3.938 40 0 FHABHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(C(F)(F)F)n[n-]1 ZINC000019334856 570886116 /nfs/dbraw/zinc/88/61/16/570886116.db2.gz DAXSKMNTRWKOPH-UHFFFAOYSA-N -1 3 370.331 3.867 40 0 FHABHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc(C(F)(F)F)[n-]n1 ZINC000019334856 570886118 /nfs/dbraw/zinc/88/61/18/570886118.db2.gz DAXSKMNTRWKOPH-UHFFFAOYSA-N -1 3 370.331 3.867 40 0 FHABHM C[C@@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](N)C(=O)[O-] ZINC000196591184 570904584 /nfs/dbraw/zinc/90/45/84/570904584.db2.gz NIIMOYXLKQFSST-UTKZUKDTSA-N -1 3 361.441 3.796 40 0 FHABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000020030065 570908680 /nfs/dbraw/zinc/90/86/80/570908680.db2.gz MCRMCKXPQRFNEF-NSHDSACASA-N -1 3 355.456 3.596 40 0 FHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000022519938 570945646 /nfs/dbraw/zinc/94/56/46/570945646.db2.gz SDNGAYBOQJMLNA-UHFFFAOYSA-N -1 3 358.463 3.539 40 0 FHABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)[nH]1 ZINC000224592684 570993753 /nfs/dbraw/zinc/99/37/53/570993753.db2.gz PDTKQXCIKXPEKF-MOPGFXCFSA-N -1 3 364.474 3.909 40 0 FHABHM Cc1ccc(Cl)cc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000030856829 571051188 /nfs/dbraw/zinc/05/11/88/571051188.db2.gz IVZISWBHUJHBCD-UHFFFAOYSA-N -1 3 373.261 3.926 40 0 FHABHM COc1cc(S(=O)(=O)[N-]CCC2=CCCCC2)c(OC)cc1Cl ZINC000002696984 571136707 /nfs/dbraw/zinc/13/67/07/571136707.db2.gz RPYAFNACVIRCOL-UHFFFAOYSA-N -1 3 359.875 3.526 40 0 FHABHM Cc1cnc([N-]c2nccnc2[C@@H]2CCCN(Cc3cncs3)C2)s1 ZINC000257235828 571152804 /nfs/dbraw/zinc/15/28/04/571152804.db2.gz GZRUFIOIFWPSOY-CYBMUJFWSA-N -1 3 372.523 3.821 40 0 FHABHM Cn1cncc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308262 571160435 /nfs/dbraw/zinc/16/04/35/571160435.db2.gz TWCKPZJRKQBOPW-OAHLLOKOSA-N -1 3 365.433 3.758 40 0 FHABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000096900723 571205556 /nfs/dbraw/zinc/20/55/56/571205556.db2.gz TYGWXDDSOQBXNU-ZCNNSNEGSA-N -1 3 364.445 3.864 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Cl ZINC000243249952 571282382 /nfs/dbraw/zinc/28/23/82/571282382.db2.gz KPBFVSYPPLNPGC-UHFFFAOYSA-N -1 3 355.843 3.937 40 0 FHABHM Cc1ccc(NC(=N)Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000010156519 204391433 /nfs/dbraw/zinc/39/14/33/204391433.db2.gz RWRJHDKABHDLBS-UHFFFAOYSA-N -1 3 361.449 3.745 40 0 FHABHM CC(C)(C)OC(=O)N1CCC[C@@H](c2csc([N-]c3cnccn3)n2)C1 ZINC000044029581 205104715 /nfs/dbraw/zinc/10/47/15/205104715.db2.gz KQRJYFZJHMPBCU-GFCCVEGCSA-N -1 3 361.471 3.791 40 0 FHABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1ccccc1Cl ZINC000000970953 206143108 /nfs/dbraw/zinc/14/31/08/206143108.db2.gz MYCCYDMGXQGWJU-UHFFFAOYSA-N -1 3 361.810 3.826 40 0 FHABHM Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3[O-])o2)c1 ZINC000000855501 206136247 /nfs/dbraw/zinc/13/62/47/206136247.db2.gz FUBPQJPUBNCQDP-UHFFFAOYSA-N -1 3 355.419 3.790 40 0 FHABHM Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])o1 ZINC000000852455 206137100 /nfs/dbraw/zinc/13/71/00/206137100.db2.gz XGMGKKOSSDVZEW-LBPRGKRZSA-N -1 3 355.419 3.870 40 0 FHABHM Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc([O-])cc3)o2)cc1 ZINC000001224354 206145487 /nfs/dbraw/zinc/14/54/87/206145487.db2.gz WKPNXWPNSITKFL-GFCCVEGCSA-N -1 3 355.419 3.870 40 0 FHABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111976 263363243 /nfs/dbraw/zinc/36/32/43/263363243.db2.gz HXOFLNKCDSSVHW-CQSZACIVSA-N -1 3 374.506 3.847 40 0 FHABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(C)c2)ccc1Cl ZINC000020490247 521443223 /nfs/dbraw/zinc/44/32/23/521443223.db2.gz JWIGVEMJYWMTNK-UHFFFAOYSA-N -1 3 367.854 3.767 40 0 FHABHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000222974886 568584179 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COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000120280339 206107496 /nfs/dbraw/zinc/10/74/96/206107496.db2.gz RTOPWVHEDVFVSD-UHFFFAOYSA-N -1 3 360.218 3.581 40 0 FHABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(C)(C)C)cc1 ZINC000223753171 206447908 /nfs/dbraw/zinc/44/79/08/206447908.db2.gz MHJSHRHFMVAYSK-UHFFFAOYSA-N -1 3 351.443 3.610 40 0 FHABHM Cc1ccc(NC(=O)CSc2n[n-]c(COc3ccccc3)n2)cc1C ZINC000006477975 263345091 /nfs/dbraw/zinc/34/50/91/263345091.db2.gz XIPUQNUMOJCJDS-UHFFFAOYSA-N -1 3 368.462 3.731 40 0 FHABHM COc1ccc(Cl)cc1C(=O)[N-]c1nnc(-c2ccccc2OC)o1 ZINC000019927226 524200127 /nfs/dbraw/zinc/20/01/27/524200127.db2.gz ILNMEYHQLBDKHJ-UHFFFAOYSA-N -1 3 359.769 3.660 40 0 FHABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)c1 ZINC000100766555 570507793 /nfs/dbraw/zinc/50/77/93/570507793.db2.gz UUGGYUOCROHAJQ-AQNXPRMDSA-N -1 3 374.396 3.639 40 0 FHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000408590361 570567919 /nfs/dbraw/zinc/56/79/19/570567919.db2.gz 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570815993 /nfs/dbraw/zinc/81/59/93/570815993.db2.gz HNJIRWRREUSFSY-UHFFFAOYSA-N -1 3 350.165 3.593 40 0 FHABHM COc1cccc(CN2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c1 ZINC000019565186 570894248 /nfs/dbraw/zinc/89/42/48/570894248.db2.gz KVHZVXXJENCAGX-LJQANCHMSA-N -1 3 362.433 3.590 40 0 FHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Cl)cc1 ZINC000019937611 570907270 /nfs/dbraw/zinc/90/72/70/570907270.db2.gz HHIKUFZJEXGGSF-UHFFFAOYSA-N -1 3 374.227 3.925 40 0 FHABHM Cc1cccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)c1C ZINC000019937595 570907369 /nfs/dbraw/zinc/90/73/69/570907369.db2.gz UMZMNYWQMNKTPC-UHFFFAOYSA-N -1 3 367.836 3.888 40 0 FHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 ZINC000020458893 570917121 /nfs/dbraw/zinc/91/71/21/570917121.db2.gz NOJHYUMXASBICK-UHFFFAOYSA-N -1 3 358.463 3.539 40 0 FHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C ZINC000020459479 570917307 /nfs/dbraw/zinc/91/73/07/570917307.db2.gz QOKAMWAVMOLFKS-UHFFFAOYSA-N -1 3 358.463 3.539 40 0 FHABHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1Cl ZINC000020490667 570918327 /nfs/dbraw/zinc/91/83/27/570918327.db2.gz YQUXJNOWFMAJAD-UHFFFAOYSA-N -1 3 373.261 3.926 40 0 FHABHM CCc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000022521954 570945495 /nfs/dbraw/zinc/94/54/95/570945495.db2.gz YQSLJDSUDUJGMN-UHFFFAOYSA-N -1 3 352.843 3.526 40 0 FHABHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000224082385 570976232 /nfs/dbraw/zinc/97/62/32/570976232.db2.gz RNNLWMZUOJWGOY-UHFFFAOYSA-N -1 3 371.861 3.594 40 0 FHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2CC(C)C ZINC000101048156 571097319 /nfs/dbraw/zinc/09/73/19/571097319.db2.gz BMHVPIICEQFDLA-ZCNNSNEGSA-N -1 3 364.445 3.720 40 0 FHABHM Fc1ccc(CN2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377422 571186071 /nfs/dbraw/zinc/18/60/71/571186071.db2.gz HFLVOVGDAWMXSC-INIZCTEOSA-N -1 3 364.428 3.529 40 0 FHABHM c1ccc(CCN2CCCC[C@H]2c2ccnc([N-]c3ncccn3)n2)cc1 ZINC000072377568 571186509 /nfs/dbraw/zinc/18/65/09/571186509.db2.gz 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/nfs/dbraw/zinc/94/60/44/570946044.db2.gz FSUJNDYOIAHBLT-UHFFFAOYSA-N -1 3 358.891 3.554 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]CC2=CCCCC2)c(Cl)c1Cl ZINC000223851733 570970270 /nfs/dbraw/zinc/97/02/70/570970270.db2.gz FFCFFDITHOHLTP-UHFFFAOYSA-N -1 3 350.267 3.781 40 0 FHABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])[nH]1 ZINC000224621587 570995170 /nfs/dbraw/zinc/99/51/70/570995170.db2.gz VGZVVPHWGXIBDJ-QZTJIDSGSA-N -1 3 350.447 3.601 40 0 FHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC)c2)cc1 ZINC000068900469 571064911 /nfs/dbraw/zinc/06/49/11/571064911.db2.gz MMEGAFJBRKXAKG-UHFFFAOYSA-N -1 3 374.506 3.888 40 0 FHABHM Cn1cncc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308261 571160518 /nfs/dbraw/zinc/16/05/18/571160518.db2.gz TWCKPZJRKQBOPW-HNNXBMFYSA-N -1 3 365.433 3.758 40 0 FHABHM O=c1cc(C2CCN(Cc3ccsc3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392761 571190239 /nfs/dbraw/zinc/19/02/39/571190239.db2.gz BJZBLGLYECYNPV-UHFFFAOYSA-N -1 3 352.463 3.685 40 0 FHABHM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ncccc3[O-])o2)cc1C ZINC000006627679 571296791 /nfs/dbraw/zinc/29/67/91/571296791.db2.gz AAMFSPCOUCHGID-UHFFFAOYSA-N -1 3 367.430 3.791 40 0 FHABHM Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000102952168 209244548 /nfs/dbraw/zinc/24/45/48/209244548.db2.gz LMCSVSQTNVAJGH-CQSZACIVSA-N -1 3 350.809 3.604 40 0 FHABHM Cc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1C ZINC000030861131 208006220 /nfs/dbraw/zinc/00/62/20/208006220.db2.gz AEBBWRKHPVRCLZ-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000010315102 263365360 /nfs/dbraw/zinc/36/53/60/263365360.db2.gz IYJDWPPJJNMRRV-UHFFFAOYSA-N -1 3 373.261 3.926 40 0 FHABHM Cc1nc(NC(=N)Nc2ccccc2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000017075527 263372294 /nfs/dbraw/zinc/37/22/94/263372294.db2.gz RZMWLYAHMOMGLW-UHFFFAOYSA-N -1 3 367.840 3.781 40 0 FHABHM Cc1ccccc1OCC(=O)N1NC(CCC(C)C)=C[C@]1([O-])C(F)(F)F ZINC000408957250 263510190 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CCCCCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[n-]c1=O ZINC000014608480 570855792 /nfs/dbraw/zinc/85/57/92/570855792.db2.gz GAXKNGSWOBTJMC-UHFFFAOYSA-N -1 3 354.498 3.528 40 0 FHABHM O=c1cc(-c2ccncc2)nc([C@H]2CCCN2Cc2ccc(F)c(F)c2)[n-]1 ZINC000019292931 570884777 /nfs/dbraw/zinc/88/47/77/570884777.db2.gz VXRCGJTVCRYQMM-GOSISDBHSA-N -1 3 368.387 3.860 40 0 FHABHM O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2)nc(-c2ccncc2)[n-]1 ZINC000019293849 570885062 /nfs/dbraw/zinc/88/50/62/570885062.db2.gz CEIDXQZAGKXONY-LJQANCHMSA-N -1 3 364.424 3.698 40 0 FHABHM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019368793 570887962 /nfs/dbraw/zinc/88/79/62/570887962.db2.gz SHRQHTLILUZOTN-QGZVFWFLSA-N -1 3 365.458 3.866 40 0 FHABHM CCc1nc2cc(NC(=O)c3cc(C(F)(F)F)n[n-]3)ccc2n1CC ZINC000019523218 570891107 /nfs/dbraw/zinc/89/11/07/570891107.db2.gz BLRHQMDAOVCBOB-UHFFFAOYSA-N -1 3 351.332 3.613 40 0 FHABHM CCc1nc2cc(NC(=O)c3cc(C(F)(F)F)[n-]n3)ccc2n1CC ZINC000019523218 570891108 /nfs/dbraw/zinc/89/11/08/570891108.db2.gz BLRHQMDAOVCBOB-UHFFFAOYSA-N -1 3 351.332 3.613 40 0 FHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000019886460 570905415 /nfs/dbraw/zinc/90/54/15/570905415.db2.gz PIESZLBFCLJVEC-UHFFFAOYSA-N -1 3 372.368 3.719 40 0 FHABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(OC)cc1 ZINC000020029956 570908709 /nfs/dbraw/zinc/90/87/09/570908709.db2.gz QIOGNGHPGWNXDJ-GFCCVEGCSA-N -1 3 369.870 3.787 40 0 FHABHM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020492040 570917982 /nfs/dbraw/zinc/91/79/82/570917982.db2.gz KDPSMALKONNYLJ-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000020493652 570918707 /nfs/dbraw/zinc/91/87/07/570918707.db2.gz QLUOBLRTFPKZCT-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1ccc(C)c(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC000224012844 570974589 /nfs/dbraw/zinc/97/45/89/570974589.db2.gz LTJAGJYPISMLRA-UHFFFAOYSA-N -1 3 371.861 3.594 40 0 FHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccc(CC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013563479 571108359 /nfs/dbraw/zinc/10/83/59/571108359.db2.gz KZVSHWCSDYFGSC-ZCNNSNEGSA-N -1 3 364.445 3.728 40 0 FHABHM COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1[O-] ZINC000008168710 571300552 /nfs/dbraw/zinc/30/05/52/571300552.db2.gz MDQULPHCXYMZQC-XYOKQWHBSA-N -1 3 362.307 3.965 40 0 FHABHM CCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018210164 571323337 /nfs/dbraw/zinc/32/33/37/571323337.db2.gz LTTLSGHQIKASEQ-BZSNNMDCSA-N -1 3 370.836 3.819 40 0 FHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)NC)cc2)cc1 ZINC000223291997 209753611 /nfs/dbraw/zinc/75/36/11/209753611.db2.gz KQDKJCGWHCSKNY-XNTDXEJSSA-N -1 3 372.490 3.589 40 0 FHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccco1 ZINC000101201537 209222142 /nfs/dbraw/zinc/22/21/42/209222142.db2.gz GDRZUJHCHDPAKO-AABGKKOBSA-N -1 3 374.396 3.639 40 0 FHABHM CSc1cccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1 ZINC000030848861 208005554 /nfs/dbraw/zinc/00/55/54/208005554.db2.gz FDMCKFIPJSQCKJ-UHFFFAOYSA-N 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COc1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(Cl)c1Cl ZINC000113935696 570545372 /nfs/dbraw/zinc/54/53/72/570545372.db2.gz QPRWFWMGQHZALG-UHFFFAOYSA-N -1 3 364.225 3.620 40 0 FHABHM COc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409010945 570712146 /nfs/dbraw/zinc/71/21/46/570712146.db2.gz GJKKZFNTRAYKNZ-XMHGGMMESA-N -1 3 359.385 3.583 40 0 FHABHM CCn1c2ccccc2c2cc(CN3CCc4nc(C)[n-]c(=O)c4C3)ccc21 ZINC000012117854 570720102 /nfs/dbraw/zinc/72/01/02/570720102.db2.gz AKHVLNUZDHDWIE-UHFFFAOYSA-N -1 3 372.472 3.764 40 0 FHABHM O=C(C1CCCCC1)N1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000012256542 570731488 /nfs/dbraw/zinc/73/14/88/570731488.db2.gz SQHIIENFBOHQAL-UHFFFAOYSA-N -1 3 366.465 3.531 40 0 FHABHM O=C1[N-]C(=Cc2ccc(Br)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409173707 570735509 /nfs/dbraw/zinc/73/55/09/570735509.db2.gz QMRJWIYYSRYDIQ-YRNVUSSQSA-N -1 3 367.586 3.793 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)CCCc1ccccc1)[C@]2([O-])C(F)(F)F ZINC000409177821 570736097 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FHABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000038752614 571085773 /nfs/dbraw/zinc/08/57/73/571085773.db2.gz AQQHGAHKCQRCJO-LBPRGKRZSA-N -1 3 366.870 3.511 40 0 FHABHM CCc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1 ZINC000044947164 571105667 /nfs/dbraw/zinc/10/56/67/571105667.db2.gz YJIMYZPOQYZKHP-UHFFFAOYSA-N -1 3 352.843 3.526 40 0 FHABHM O=C([O-])CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000026893148 571170855 /nfs/dbraw/zinc/17/08/55/571170855.db2.gz XBRKRZUQZJDDQO-OAQYLSRUSA-N -1 3 372.896 3.912 40 0 in-man FHABHM O=c1cc(C2CCN(Cc3ccc(F)cc3)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392815 571190209 /nfs/dbraw/zinc/19/02/09/571190209.db2.gz LCRWZKLEARXQPS-UHFFFAOYSA-N -1 3 364.424 3.763 40 0 FHABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2N1 ZINC000078403910 571216250 /nfs/dbraw/zinc/21/62/50/571216250.db2.gz CXJSKBVLOXFJIH-SNVBAGLBSA-N -1 3 367.268 3.606 40 0 FHABHM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])o2)cc1C ZINC000000850111 219330818 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C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Cl)c1)N2 ZINC000409055426 570717576 /nfs/dbraw/zinc/71/75/76/570717576.db2.gz BUIVTZFLZAJYPE-MURWCNHISA-N -1 3 360.763 3.839 40 0 FHABHM O=C(C1CCCCC1)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256360 570731221 /nfs/dbraw/zinc/73/12/21/570731221.db2.gz DQWOKZJXBZROJS-UHFFFAOYSA-N -1 3 366.465 3.531 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)c1ccccc1Cl)[C@@]2([O-])C(F)(F)F ZINC000409174858 570735487 /nfs/dbraw/zinc/73/54/87/570735487.db2.gz WGRJPBDCBYVECI-VPJDZLOFSA-N -1 3 360.763 3.839 40 0 FHABHM C[C@@H]1CCCC2=C1NN(C(=O)CCc1ccccc1)[C@]2([O-])C(F)(F)F ZINC000409183832 570737319 /nfs/dbraw/zinc/73/73/19/570737319.db2.gz VIRFGNFKMHKNRO-SUYBPPKGSA-N -1 3 354.372 3.505 40 0 FHABHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccccc1C(F)(F)F ZINC000014152355 570844505 /nfs/dbraw/zinc/84/45/05/570844505.db2.gz MNXTWNYNXMYSFD-UHFFFAOYSA-N -1 3 368.340 3.814 40 0 FHABHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccccc1C(F)(F)F ZINC000014152355 570844509 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C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(N[C@H]2CCc3ccccc32)n1 ZINC000019457463 211223394 /nfs/dbraw/zinc/22/33/94/211223394.db2.gz WVGJZHYLGQQLNP-WBMJQRKESA-N -1 3 369.856 3.523 40 0 FHABHM COc1cccc(CN2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c1 ZINC000019565189 211234046 /nfs/dbraw/zinc/23/40/46/211234046.db2.gz KVHZVXXJENCAGX-IBGZPJMESA-N -1 3 362.433 3.590 40 0 FHABHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc3ccccc3c1)C(=O)C2 ZINC000001454986 210354898 /nfs/dbraw/zinc/35/48/98/210354898.db2.gz OELNENRGDZBHDO-OXQOHEQNSA-N -1 3 357.475 3.977 40 0 FHABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000039753774 263399339 /nfs/dbraw/zinc/39/93/39/263399339.db2.gz DNZQHQKRRXIIKK-UHFFFAOYSA-N -1 3 352.434 3.544 40 0 FHABHM C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccccc1 ZINC000019937580 525139954 /nfs/dbraw/zinc/13/99/54/525139954.db2.gz WHMQONGRSVCKQZ-CYBMUJFWSA-N -1 3 367.836 3.510 40 0 FHABHM COc1c(/C=C/C(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc([O-])c1O2 ZINC000034016681 560087670 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FHABHM CC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000009064233 570797953 /nfs/dbraw/zinc/79/79/53/570797953.db2.gz KRSZLVJKSYVZCD-UHFFFAOYSA-N -1 3 361.810 3.687 40 0 FHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC000224523188 570991799 /nfs/dbraw/zinc/99/17/99/570991799.db2.gz AHGYFNVINWDZAV-UHFFFAOYSA-N -1 3 370.405 3.879 40 0 FHABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000028195912 571027406 /nfs/dbraw/zinc/02/74/06/571027406.db2.gz SGRXUUFLBQUKMY-UHFFFAOYSA-N -1 3 374.245 3.889 40 0 FHABHM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1F)CCCC2 ZINC000225458120 571037107 /nfs/dbraw/zinc/03/71/07/571037107.db2.gz HFJQVOIDIRTCOI-UHFFFAOYSA-N -1 3 353.390 3.653 40 0 FHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000030755825 571049547 /nfs/dbraw/zinc/04/95/47/571049547.db2.gz YRUBOZWFVPXCFX-UHFFFAOYSA-N -1 3 359.234 3.617 40 0 FHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C ZINC000032585952 571058630 /nfs/dbraw/zinc/05/86/30/571058630.db2.gz 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FHABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N3CCOCC3)c1[O-])OC2(C)C ZINC000257341802 534201683 /nfs/dbraw/zinc/20/16/83/534201683.db2.gz ZMAPDBJZADYLED-FVQBIDKESA-N -1 3 359.466 3.555 40 0 FHABHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000216404586 568122017 /nfs/dbraw/zinc/12/20/17/568122017.db2.gz XWHGWIPSETWQEX-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2O1 ZINC000223661609 568693341 /nfs/dbraw/zinc/69/33/41/568693341.db2.gz PSSIMAHNSYXCRN-UHFFFAOYSA-N -1 3 353.390 3.869 40 0 FHABHM CO[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)[C@H]1Cc1ccccc1F ZINC000585275567 570487800 /nfs/dbraw/zinc/48/78/00/570487800.db2.gz DBGVASDRWZUMBM-PMACEKPBSA-N -1 3 357.425 3.746 40 0 FHABHM Cc1cc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000409182108 570736905 /nfs/dbraw/zinc/73/69/05/570736905.db2.gz IVQNOFIOPJGOIC-XHDPSFHLSA-N -1 3 360.763 3.901 40 0 FHABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2)N1 ZINC000409343001 570751077 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O=C1N=C2C=CC=CN2[C@](c2ccc(F)cc2)(C(Cl)(Cl)Cl)[N-]1 ZINC000000823259 219327205 /nfs/dbraw/zinc/32/72/05/219327205.db2.gz JXNQUZIAELVQIN-CYBMUJFWSA-N -1 3 360.603 3.856 40 0 FHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](c3cnccn3)C2)o1 ZINC000257207264 223018200 /nfs/dbraw/zinc/01/82/00/223018200.db2.gz BHALVCWRJFNXEX-OAHLLOKOSA-N -1 3 363.417 3.814 40 0 FHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](c3cnccn3)C2)o1 ZINC000257207263 223018846 /nfs/dbraw/zinc/01/88/46/223018846.db2.gz BHALVCWRJFNXEX-HNNXBMFYSA-N -1 3 363.417 3.814 40 0 FHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(c3cc[nH]n3)CC2)o1 ZINC000257271733 223045383 /nfs/dbraw/zinc/04/53/83/223045383.db2.gz MZOTWNMJVZODSA-UHFFFAOYSA-N -1 3 351.406 3.748 40 0 FHABHM Cn1cncc1-c1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000257311085 223062418 /nfs/dbraw/zinc/06/24/18/223062418.db2.gz UHWKZLNXWRRXGV-LJQANCHMSA-N -1 3 362.433 3.517 40 0 FHABHM O=c1cc(-c2ccccn2)nc(C2CCN(Cc3ccccc3F)CC2)[n-]1 ZINC000013266964 220062234 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3.639 40 0 FHABHM O=C(N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1)c1ccccc1 ZINC000019369341 220252302 /nfs/dbraw/zinc/25/23/02/220252302.db2.gz ZIKMQMLCWQMXJH-HXUWFJFHSA-N -1 3 373.456 3.751 40 0 FHABHM C[C@@H](Nc1nc([C@@H](C)Cn2cc(Cl)cn2)cc(=O)[n-]1)c1ccccc1 ZINC000019457420 220257951 /nfs/dbraw/zinc/25/79/51/220257951.db2.gz VFZAXPOJJUJJBU-QWHCGFSZSA-N -1 3 357.845 3.597 40 0 FHABHM C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(N[C@@H](C)c2ccccc2)n1 ZINC000019457418 220258660 /nfs/dbraw/zinc/25/86/60/220258660.db2.gz VFZAXPOJJUJJBU-OLZOCXBDSA-N -1 3 357.845 3.597 40 0 FHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000100566586 222247166 /nfs/dbraw/zinc/24/71/66/222247166.db2.gz NWAYJQLHBBIFSC-AQNXPRMDSA-N -1 3 374.396 3.639 40 0 FHABHM CCCC[C@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C([O-])=C2ON1c1ccccc1 ZINC000101069249 222260243 /nfs/dbraw/zinc/26/02/43/222260243.db2.gz UKOUKZBOOUCPFU-UFYCRDLUSA-N -1 3 364.445 3.864 40 0 FHABHM C[C@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccccc1 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CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020108142 220313631 /nfs/dbraw/zinc/31/36/31/220313631.db2.gz IJNLQIGHERDDEZ-UHFFFAOYSA-N -1 3 366.870 3.623 40 0 FHABHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)cc1Cl ZINC000054363101 221052468 /nfs/dbraw/zinc/05/24/68/221052468.db2.gz LVOPQUZBEAWURL-UHFFFAOYSA-N -1 3 374.687 3.889 40 0 FHABHM Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000102952169 222314906 /nfs/dbraw/zinc/31/49/06/222314906.db2.gz LMCSVSQTNVAJGH-AWEZNQCLSA-N -1 3 350.809 3.604 40 0 FHABHM Cc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1[N-]S(C)(=O)=O ZINC000010313901 263364225 /nfs/dbraw/zinc/36/42/25/263364225.db2.gz RORYVZCBFCGRGZ-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1nc(NC(=N)Nc2ccc(Cl)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000017075526 263372209 /nfs/dbraw/zinc/37/22/09/263372209.db2.gz FZIIJOHXHWICQW-UHFFFAOYSA-N -1 3 367.840 3.781 40 0 FHABHM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020452427 263380234 /nfs/dbraw/zinc/38/02/34/263380234.db2.gz MBARHAGIIFASIT-UHFFFAOYSA-N -1 3 366.870 3.835 40 0 FHABHM Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(C)c1 ZINC000020456928 263380831 /nfs/dbraw/zinc/38/08/31/263380831.db2.gz BTKYQDQLGKORQK-UHFFFAOYSA-N -1 3 352.843 3.581 40 0 FHABHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c([O-])c1 ZINC000257295358 534259262 /nfs/dbraw/zinc/25/92/62/534259262.db2.gz QXZWNTNCPBAJCU-HMXCVIKNSA-N -1 3 369.461 3.524 40 0 FHABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000223317413 568639180 /nfs/dbraw/zinc/63/91/80/568639180.db2.gz VXAACPMDCGUPAQ-UHFFFAOYSA-N -1 3 373.217 3.537 40 0 FHABHM CCCN1C(=O)/C(=C\c2c([O-])ccc3ccccc32)C(C(=O)OC)=C1C ZINC000006654651 570565864 /nfs/dbraw/zinc/56/58/64/570565864.db2.gz QONSQGYHTIOGRH-ATVHPVEESA-N -1 3 351.402 3.628 40 0 FHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000408598146 570574326 /nfs/dbraw/zinc/57/43/26/570574326.db2.gz XKODAXHCCZFWCY-UHFFFAOYSA-N -1 3 372.490 3.594 40 0 FHABHM 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CCCCOC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000032649081 571305339 /nfs/dbraw/zinc/30/53/39/571305339.db2.gz ZJLAJCYQSQEAON-UHFFFAOYSA-N -1 3 364.401 3.737 40 0 FHABHM CCCCOC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000032649081 571305340 /nfs/dbraw/zinc/30/53/40/571305340.db2.gz ZJLAJCYQSQEAON-UHFFFAOYSA-N -1 3 364.401 3.737 40 0 FHABHM