smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000004539401 210216858 /nfs/dbraw/zinc/21/68/58/210216858.db2.gz MQKHQPBWLOBQGN-UHFFFAOYSA-N -1 3 347.827 4.827 50 0 EJAAHM Cc1cccc(-c2nnc([N-]C(=O)c3c(F)cccc3Cl)s2)c1 ZINC000004079049 210114835 /nfs/dbraw/zinc/11/48/35/210114835.db2.gz OWZALHYZQHLWEZ-UHFFFAOYSA-N -1 3 347.802 4.558 50 0 EJAAHM O=C([N-]c1c(Cl)cccc1Cl)c1cc(-c2cccs2)on1 ZINC000003908471 210091791 /nfs/dbraw/zinc/09/17/91/210091791.db2.gz RTTZJONVDYXPCZ-UHFFFAOYSA-N -1 3 339.203 4.962 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccccc2Cl)C1 ZINC000102754612 219227346 /nfs/dbraw/zinc/22/73/46/219227346.db2.gz SKZOZRQWHVTYDG-CQSZACIVSA-N -1 3 344.802 4.594 50 0 EJAAHM COc1cc(/C=C(/Cl)c2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000096891538 201377916 /nfs/dbraw/zinc/37/79/16/201377916.db2.gz RODJDWKRQMWJCK-YRNVUSSQSA-N -1 3 336.174 4.932 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2cccc3cccnc32)S1 ZINC000071284609 203089703 /nfs/dbraw/zinc/08/97/03/203089703.db2.gz CGBNMAYMFPMUPT-MRXNPFEDSA-N -1 3 338.436 4.604 50 0 EJAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(-c2ccc(C)cc2)ns1 ZINC000011914509 211267951 /nfs/dbraw/zinc/26/79/51/211267951.db2.gz WRHYHVZYRGTOHZ-UHFFFAOYSA-N -1 3 349.415 4.820 50 0 EJAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000009436885 211083277 /nfs/dbraw/zinc/08/32/77/211083277.db2.gz JVCNBFISYMUBAO-UHFFFAOYSA-N -1 3 328.799 4.810 50 0 EJAAHM Cc1c2occ(C(C)(C)C)c2cc2c3c(/c(=N\[O-])oc12)CCCC3 ZINC000009184516 211049210 /nfs/dbraw/zinc/04/92/10/211049210.db2.gz IWSQLPOICYVWMA-XUTLUUPISA-N -1 3 325.408 4.954 50 0 EJAAHM Cc1cc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)no1 ZINC000013744281 564111978 /nfs/dbraw/zinc/11/19/78/564111978.db2.gz QRGRDJVQJRPFBR-UHFFFAOYSA-N -1 3 327.192 4.757 50 0 EJAAHM Cc1ccc(C(C)C)c(OCc2n[n-]c(=S)n2-c2ccccc2)c1 ZINC000000094460 563223643 /nfs/dbraw/zinc/22/36/43/563223643.db2.gz OSCREBPMAMPWBO-UHFFFAOYSA-N -1 3 339.464 4.567 50 0 EJAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccccc1 ZINC000000105933 563227671 /nfs/dbraw/zinc/22/76/71/563227671.db2.gz MTSBQELQHVXFMT-UHFFFAOYSA-N -1 3 346.411 4.921 50 0 EJAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000361863 563294019 /nfs/dbraw/zinc/29/40/19/563294019.db2.gz FFIUKRRUBSQJBQ-UHFFFAOYSA-N -1 3 331.481 4.710 50 0 EJAAHM O=C(c1coc2ccc([O-])cc12)c1ccc(OCc2ccccc2)cc1 ZINC000000446201 563317319 /nfs/dbraw/zinc/31/73/19/563317319.db2.gz UPOAUXQMJXORDV-UHFFFAOYSA-N -1 3 344.366 4.948 50 0 EJAAHM O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000000480382 563336099 /nfs/dbraw/zinc/33/60/99/563336099.db2.gz RSWFYOXWURZZEV-QGZVFWFLSA-N -1 3 343.854 4.580 50 0 EJAAHM CCc1ccc(CC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000000611353 563354327 /nfs/dbraw/zinc/35/43/27/563354327.db2.gz PGNPFTXFFQKDSS-UHFFFAOYSA-N -1 3 331.481 4.537 50 0 EJAAHM CCCCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000002766324 563450249 /nfs/dbraw/zinc/45/02/49/563450249.db2.gz MDFJGUCJOICAGT-UHFFFAOYSA-N -1 3 331.481 4.755 50 0 EJAAHM [O-]c1cccc2ccc(/C=C/c3cccc(Br)c3)nc12 ZINC000013135320 563690633 /nfs/dbraw/zinc/69/06/33/563690633.db2.gz PKPRWIPBBDUZPA-VQHVLOKHSA-N -1 3 326.193 4.873 50 0 EJAAHM CC(C)c1cc([O-])c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000015924325 563800070 /nfs/dbraw/zinc/80/00/70/563800070.db2.gz MGROXOQFKIDJDU-UHFFFAOYSA-N -1 3 339.822 4.987 50 0 EJAAHM Cc1cc([N-]C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)no1 ZINC000002875954 563918685 /nfs/dbraw/zinc/91/86/85/563918685.db2.gz SPBHKUOUARXCPQ-UHFFFAOYSA-N -1 3 336.269 4.514 50 0 EJAAHM Cc1cc([O-])ccc1-c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000097102682 563967740 /nfs/dbraw/zinc/96/77/40/563967740.db2.gz OSUUEOIDLQKQDA-UHFFFAOYSA-N -1 3 345.358 4.605 50 0 EJAAHM Cc1[n-]n2c(nc(C(C)(C)C)cc2=S)c1-c1ccc(Cl)cc1 ZINC000005205411 564000681 /nfs/dbraw/zinc/00/06/81/564000681.db2.gz GHGFSFIVIJGAKJ-UHFFFAOYSA-N -1 3 331.872 4.944 50 0 EJAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1c(F)cccc1F ZINC000003236147 564058623 /nfs/dbraw/zinc/05/86/23/564058623.db2.gz DVICBGFCIUFDBA-UHFFFAOYSA-N -1 3 348.736 4.834 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1ccccc1SCc1ccco1 ZINC000012755190 564067195 /nfs/dbraw/zinc/06/71/95/564067195.db2.gz TXVGMIGCJNWFSG-UHFFFAOYSA-N -1 3 325.389 4.530 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2cccnc2)S1 ZINC000071284668 564110887 /nfs/dbraw/zinc/11/08/87/564110887.db2.gz SHVVHVHXHLTRLO-MRXNPFEDSA-N -1 3 342.468 4.765 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc3ncccc3c2)S1 ZINC000071285863 564110925 /nfs/dbraw/zinc/11/09/25/564110925.db2.gz VNCOPXDNIAOVPB-MRXNPFEDSA-N -1 3 338.436 4.604 50 0 EJAAHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)c(Cl)c2)c([O-])c1 ZINC000249833551 564111771 /nfs/dbraw/zinc/11/17/71/564111771.db2.gz PXKVHKUOIIIBQK-UHFFFAOYSA-N -1 3 331.847 4.646 50 0 EJAAHM Cc1ccc([O-])c(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000009271258 564172202 /nfs/dbraw/zinc/17/22/02/564172202.db2.gz LUPAHJVXGLNRNT-UHFFFAOYSA-N -1 3 334.419 4.619 50 0 EJAAHM CC(C)Oc1ccc([N-]C(=O)c2cc(-c3ccccc3)no2)c(F)c1 ZINC000052020637 214113154 /nfs/dbraw/zinc/11/31/54/214113154.db2.gz WWGOJYKLHTUEBF-UHFFFAOYSA-N -1 3 340.354 4.520 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccc(Cl)cc2)C1 ZINC000102753200 219227306 /nfs/dbraw/zinc/22/73/06/219227306.db2.gz KQKOGOMKIHFOPJ-CQSZACIVSA-N -1 3 344.802 4.594 50 0 EJAAHM COc1cc(Br)cc(-c2nc3cc(C)cc(C)c3o2)c1[O-] ZINC000022665926 202089359 /nfs/dbraw/zinc/08/93/59/202089359.db2.gz JKQVZUOKSUXNGE-UHFFFAOYSA-N -1 3 348.196 4.588 50 0 EJAAHM [O-]c1ccc(Br)cc1-c1cc(-c2ccccc2Cl)[nH]n1 ZINC000013126309 201364682 /nfs/dbraw/zinc/36/46/82/201364682.db2.gz MMLKBDGKQVDEEK-UHFFFAOYSA-N -1 3 349.615 4.865 50 0 EJAAHM Cc1ccc2nc([N-]C(=O)c3cc(-c4ccccc4)on3)sc2c1 ZINC000021524136 212229010 /nfs/dbraw/zinc/22/90/10/212229010.db2.gz XWRTXWSBUBIAMA-UHFFFAOYSA-N -1 3 335.388 4.512 50 0 EJAAHM CCCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000004988470 210351610 /nfs/dbraw/zinc/35/16/10/210351610.db2.gz YWHACSONTWUWNW-UHFFFAOYSA-N -1 3 326.421 4.716 50 0 EJAAHM COc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c([O-])c1 ZINC000005426928 258002804 /nfs/dbraw/zinc/00/28/04/258002804.db2.gz SIRHSBWNROVSJA-UHFFFAOYSA-N -1 3 335.281 4.742 50 0 EJAAHM CCc1cc(-c2onc(C)c2-c2ccc(OC)cc2)c([O-])cc1OC ZINC000000238482 563264517 /nfs/dbraw/zinc/26/45/17/563264517.db2.gz FDWOVBYFCVMMAO-UHFFFAOYSA-N -1 3 339.391 4.602 50 0 biogenic EJAAHM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000245849 563266217 /nfs/dbraw/zinc/26/62/17/563266217.db2.gz WWAWCXSEGBRVOA-CQSZACIVSA-N -1 3 331.481 4.926 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000000426625 563310644 /nfs/dbraw/zinc/31/06/44/563310644.db2.gz YBGSMZJMBRRHNA-GFCCVEGCSA-N -1 3 344.480 4.800 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000000426624 563310665 /nfs/dbraw/zinc/31/06/65/563310665.db2.gz YBGSMZJMBRRHNA-LBPRGKRZSA-N -1 3 344.480 4.800 50 0 EJAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(C)cc4s3)no2)cc1 ZINC000027662603 563898347 /nfs/dbraw/zinc/89/83/47/563898347.db2.gz GEAAJHCBHNNQHA-UHFFFAOYSA-N -1 3 349.415 4.820 50 0 EJAAHM COc1ccc([O-])c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 ZINC000000185683 563987942 /nfs/dbraw/zinc/98/79/42/563987942.db2.gz FRQKOWGQFVARTL-UHFFFAOYSA-N -1 3 346.308 4.544 50 0 EJAAHM CCCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004988474 563993641 /nfs/dbraw/zinc/99/36/41/563993641.db2.gz RMIMNTDQITVFGV-UHFFFAOYSA-N -1 3 344.798 4.901 50 0 EJAAHM Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)cc(C)c3[O-])nc2c1 ZINC000004988504 563993654 /nfs/dbraw/zinc/99/36/54/563993654.db2.gz RSYWLQRISHQTIZ-UHFFFAOYSA-N -1 3 338.407 4.802 50 0 EJAAHM CCOc1cc([O-])c(-c2n[nH]c(C)c2Oc2ccccc2)cc1CC ZINC000005095110 563994342 /nfs/dbraw/zinc/99/43/42/563994342.db2.gz PSZIJGLJXVMOKX-UHFFFAOYSA-N -1 3 338.407 4.844 50 0 EJAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C)cc1 ZINC000005642642 564006925 /nfs/dbraw/zinc/00/69/25/564006925.db2.gz FMKHFVBCPACZHA-MRXNPFEDSA-N -1 3 345.468 4.682 50 0 EJAAHM Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)c([O-])c1 ZINC000032770179 564036204 /nfs/dbraw/zinc/03/62/04/564036204.db2.gz CNYWENXEFBYHPH-UHFFFAOYSA-N -1 3 339.416 4.838 50 0 EJAAHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)cc1 ZINC000003655316 564060169 /nfs/dbraw/zinc/06/01/69/564060169.db2.gz WODGLDFILFDPEA-UHFFFAOYSA-N -1 3 345.354 4.818 50 0 EJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000001233400 564061748 /nfs/dbraw/zinc/06/17/48/564061748.db2.gz MLWIKUBYNCVNOQ-MDZDMXLPSA-N -1 3 349.455 4.966 50 0 EJAAHM O=Cc1ccc(OC2CCCC2)c(Cc2c(F)cccc2Cl)c1[O-] ZINC000001387027 564064247 /nfs/dbraw/zinc/06/42/47/564064247.db2.gz DNEPNFBGOSGDAY-UHFFFAOYSA-N -1 3 348.801 4.909 50 0 EJAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000007053355 564103927 /nfs/dbraw/zinc/10/39/27/564103927.db2.gz FAWMVNQXPRYDSI-CQSZACIVSA-N -1 3 331.481 4.926 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2cccc(O)c2)S1 ZINC000071287910 564110931 /nfs/dbraw/zinc/11/09/31/564110931.db2.gz WVYGOUCWRPWFIK-INIZCTEOSA-N -1 3 343.452 4.686 50 0 EJAAHM O=c1cc(Nc2ccc(C3CCCCC3)cc2)[n-]n1-c1ccccc1 ZINC000002581480 564119094 /nfs/dbraw/zinc/11/90/94/564119094.db2.gz QKUSSWRSHPNKKR-UHFFFAOYSA-N -1 3 333.435 4.897 50 0 EJAAHM Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000004666594 210241205 /nfs/dbraw/zinc/24/12/05/210241205.db2.gz DXFBMVMPPIQBOA-UHFFFAOYSA-N -1 3 331.415 4.861 50 0 EJAAHM COc1cc(Cl)cc(/C=C/c2ccc3cccc([O-])c3n2)c1OC ZINC000004123952 210126032 /nfs/dbraw/zinc/12/60/32/210126032.db2.gz DJAZMKZCTDJYCP-VQHVLOKHSA-N -1 3 341.794 4.781 50 0 EJAAHM [O-]c1ccc(Br)cc1/C=C/c1ccc2ccccc2n1 ZINC000004117502 210124047 /nfs/dbraw/zinc/12/40/47/210124047.db2.gz NDJYIQKCWCPIPP-RMKNXTFCSA-N -1 3 326.193 4.873 50 0 EJAAHM CCC(CC)c1cc(C(=O)[N-]c2nc3ccc(C)cc3s2)on1 ZINC000072295237 216132890 /nfs/dbraw/zinc/13/28/90/216132890.db2.gz UFZRHZASGFVOIR-UHFFFAOYSA-N -1 3 329.425 4.749 50 0 EJAAHM CCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000022515168 212303275 /nfs/dbraw/zinc/30/32/75/212303275.db2.gz HCKPXPJEYVMSNN-FYWRMAATSA-N -1 3 345.398 4.604 50 0 EJAAHM Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[n-]2)c1 ZINC000021883813 212258358 /nfs/dbraw/zinc/25/83/58/212258358.db2.gz NLTIHPKMIXLOLA-UHFFFAOYSA-N -1 3 347.443 4.519 50 0 EJAAHM O=C(Nc1ccccc1[O-])[C@H](Sc1ccccc1)c1ccccc1 ZINC000021866438 212257299 /nfs/dbraw/zinc/25/72/99/212257299.db2.gz WXPRYIGZIKMCPT-LJQANCHMSA-N -1 3 335.428 4.864 50 0 EJAAHM Cc1cc2nc(-c3cc(NC(=O)C(C)C)cc(C)c3[O-])oc2cc1C ZINC000012408631 211372199 /nfs/dbraw/zinc/37/21/99/211372199.db2.gz FAVUFDDCFXQUOR-UHFFFAOYSA-N -1 3 338.407 4.720 50 0 EJAAHM Cc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CC[C@H](C(C)(C)C)C4)o1 ZINC000009667355 211112168 /nfs/dbraw/zinc/11/21/68/211112168.db2.gz AQSCTDAVXVHARM-NSHDSACASA-N -1 3 342.464 4.704 50 0 EJAAHM CCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c([O-])cc1O ZINC000007735922 210840277 /nfs/dbraw/zinc/84/02/77/210840277.db2.gz FYUWAPKNNHTLOB-UHFFFAOYSA-N -1 3 344.798 4.804 50 0 EJAAHM Cc1ccc([O-])c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1 ZINC000000344612 563287343 /nfs/dbraw/zinc/28/73/43/563287343.db2.gz MAQOZOILPAMFSW-UHFFFAOYSA-N -1 3 348.442 4.910 50 0 EJAAHM O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000004820597 563511939 /nfs/dbraw/zinc/51/19/39/563511939.db2.gz XEJBYGALVLMDIJ-UHFFFAOYSA-N -1 3 343.835 4.930 50 0 EJAAHM CCCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012651611 563666830 /nfs/dbraw/zinc/66/68/30/563666830.db2.gz RIEPKFPOXUGPDP-UHFFFAOYSA-N -1 3 338.407 4.864 50 0 EJAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1cc(F)ccc1F ZINC000013325596 563694493 /nfs/dbraw/zinc/69/44/93/563694493.db2.gz HTLJFWIVFJGTBZ-UHFFFAOYSA-N -1 3 348.736 4.834 50 0 EJAAHM CC1(C)c2cc(Cl)ccc2-n2c1cc([O-])c(-c1ccccc1)c2=O ZINC000015923717 563800143 /nfs/dbraw/zinc/80/01/43/563800143.db2.gz FJNADZSPACHLFJ-UHFFFAOYSA-N -1 3 337.806 4.503 50 0 EJAAHM Cc1nn(-c2nc3ccccc3s2)c(C)c1Oc1ccccc1[O-] ZINC000003177516 563918844 /nfs/dbraw/zinc/91/88/44/563918844.db2.gz RCROWWJZFXZSGB-UHFFFAOYSA-N -1 3 337.404 4.597 50 0 EJAAHM CSc1nc(=S)c2sc3nc(C(C)C)c4c(c3c2[n-]1)CCC4 ZINC000005324503 564002614 /nfs/dbraw/zinc/00/26/14/564002614.db2.gz FLDQJIFUWKXKPT-UHFFFAOYSA-N -1 3 347.534 4.862 50 0 EJAAHM CCOc1cc2c(cc1/C=C/c1ccc3cccc([O-])c3n1)O[C@@H](C)C2 ZINC000012549219 564018607 /nfs/dbraw/zinc/01/86/07/564018607.db2.gz WYEUIHYRRUSHTG-PLWJUESGSA-N -1 3 347.414 4.833 50 0 EJAAHM Cc1cccc(COc2ccccc2C(=O)Nc2ccccc2[O-])c1 ZINC000012765420 564067950 /nfs/dbraw/zinc/06/79/50/564067950.db2.gz TZMITNKHCKEVNL-UHFFFAOYSA-N -1 3 333.387 4.532 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccsc2)S1 ZINC000085411939 564072890 /nfs/dbraw/zinc/07/28/90/564072890.db2.gz HWQVBVGIOGOJBD-AWEZNQCLSA-N -1 3 333.482 4.629 50 0 EJAAHM Cc1ccccc1-c1c(-c2ccc(O)c(C)c2[O-])n[nH]c1C(F)(F)F ZINC000005728689 564093292 /nfs/dbraw/zinc/09/32/92/564093292.db2.gz FHSYJXOWJGGOOK-UHFFFAOYSA-N -1 3 348.324 4.791 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc(O)cc2)S1 ZINC000071285090 564110893 /nfs/dbraw/zinc/11/08/93/564110893.db2.gz PQDVMMYRHNANKD-MRXNPFEDSA-N -1 3 343.452 4.686 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc3ncccc3c2)S1 ZINC000071285862 564110935 /nfs/dbraw/zinc/11/09/35/564110935.db2.gz VNCOPXDNIAOVPB-INIZCTEOSA-N -1 3 338.436 4.604 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2cccc(O)c2)S1 ZINC000071287912 564110959 /nfs/dbraw/zinc/11/09/59/564110959.db2.gz WVYGOUCWRPWFIK-MRXNPFEDSA-N -1 3 343.452 4.686 50 0 EJAAHM CCCCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2[O-])cc1 ZINC000002877129 564117096 /nfs/dbraw/zinc/11/70/96/564117096.db2.gz KKEXUJHSIFQRLW-UHFFFAOYSA-N -1 3 344.794 4.998 50 0 EJAAHM CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc([O-])cc1 ZINC000252666264 564124773 /nfs/dbraw/zinc/12/47/73/564124773.db2.gz AXLXCETVFZNQRI-UHFFFAOYSA-N -1 3 330.840 4.828 50 0 EJAAHM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1csc2c1CCCC2 ZINC000004536199 210215602 /nfs/dbraw/zinc/21/56/02/210215602.db2.gz FPMSYHNCIGUZJC-UHFFFAOYSA-N -1 3 347.308 4.575 50 0 EJAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1)c1ccco1 ZINC000004267225 210155336 /nfs/dbraw/zinc/15/53/36/210155336.db2.gz OBKBTPBQNUVRKF-UHFFFAOYSA-N -1 3 346.342 4.530 50 0 EJAAHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@@H]3[C@@H]1CCC2=O ZINC000003902436 210088573 /nfs/dbraw/zinc/08/85/73/210088573.db2.gz NQFVJAYQCZUYON-MCTLKSGKSA-N -1 3 349.268 4.580 50 0 biogenic EJAAHM c1coc(-c2nc(CSc3n[n-]c(-c4cccs4)n3)cs2)c1 ZINC000022517800 202086996 /nfs/dbraw/zinc/08/69/96/202086996.db2.gz VVBICANTZDDADI-UHFFFAOYSA-N -1 3 346.462 4.542 50 0 EJAAHM Cc1c(Cl)cccc1Nc1nc(-c2ccc(O)cc2[O-])cs1 ZINC000024950066 202124186 /nfs/dbraw/zinc/12/41/86/202124186.db2.gz LISJJWBEOUPBBR-UHFFFAOYSA-N -1 3 332.812 4.927 50 0 EJAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000028287331 202168795 /nfs/dbraw/zinc/16/87/95/202168795.db2.gz OOZHIKJSBIVUGL-UHFFFAOYSA-N -1 3 349.415 4.820 50 0 EJAAHM O=C([N-]c1nnc(-c2ccccc2)s1)c1occc1-c1ccccc1 ZINC000028283523 202169590 /nfs/dbraw/zinc/16/95/90/202169590.db2.gz QGDIHHSDAGSPQD-UHFFFAOYSA-N -1 3 347.399 4.717 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCC2)[C@H](Cc2ccccc2)S1 ZINC000071285376 203090404 /nfs/dbraw/zinc/09/04/04/203090404.db2.gz NFWWAZLDTWYUFG-HNNXBMFYSA-N -1 3 327.453 4.784 50 0 EJAAHM O=C([N-]c1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccno1 ZINC000010253848 211157765 /nfs/dbraw/zinc/15/77/65/211157765.db2.gz AGLVJGQUPBEWLN-UHFFFAOYSA-N -1 3 347.399 4.717 50 0 EJAAHM CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c([O-])cc1O ZINC000009089488 211038772 /nfs/dbraw/zinc/03/87/72/211038772.db2.gz FRNVXSBGOOVPBZ-UHFFFAOYSA-N -1 3 328.799 4.679 50 0 EJAAHM CC(=C\c1ccccc1)/C=C1\SC(=O)N(c2ccc([O-])cc2)C1=O ZINC000005028716 210366435 /nfs/dbraw/zinc/36/64/35/210366435.db2.gz SBULCXPNJGZXRW-YMGXUNRSSA-N -1 3 337.400 4.579 50 0 EJAAHM [O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1 ZINC000013127818 563689945 /nfs/dbraw/zinc/68/99/45/563689945.db2.gz ANQWQLGUIIXYDF-FQEVSTJZSA-N -1 3 339.398 4.856 50 0 EJAAHM O=S(=O)([N-]C1CCCCCCCCCCC1)c1cccs1 ZINC000017067603 563831724 /nfs/dbraw/zinc/83/17/24/563831724.db2.gz UUPVJQQEADGWQA-UHFFFAOYSA-N -1 3 329.531 4.700 50 0 EJAAHM O=C(CSc1ccccc1)[N-]c1oncc1-c1ccc(Cl)cc1 ZINC000032984877 563920695 /nfs/dbraw/zinc/92/06/95/563920695.db2.gz BIMDWFBYBNBIIZ-UHFFFAOYSA-N -1 3 344.823 4.726 50 0 EJAAHM [O-]c1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12 ZINC000015016514 564000022 /nfs/dbraw/zinc/00/00/22/564000022.db2.gz YIABCVSURKCEHB-UXBLZVDNSA-N -1 3 326.193 4.873 50 0 EJAAHM Cc1ccc(-c2cc([N-]C(=O)c3cc(-c4ccccc4)on3)on2)cc1 ZINC000606422337 564043402 /nfs/dbraw/zinc/04/34/02/564043402.db2.gz NWTOPPIGRYSOCS-UHFFFAOYSA-N -1 3 345.358 4.557 50 0 EJAAHM CCOC(=O)c1sc([N-]c2nc3ccc(OC)cc3s2)cc1C ZINC000004137744 564160865 /nfs/dbraw/zinc/16/08/65/564160865.db2.gz MDPIEEVCGADTQR-UHFFFAOYSA-N -1 3 348.449 4.595 50 0 aggregator EJAAHM O=C([O-])C1CCC(N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000263496427 564162245 /nfs/dbraw/zinc/16/22/45/564162245.db2.gz TVBRWKMJYDURLG-QWFMPGPPSA-N -1 3 349.883 4.724 50 0 EJAAHM S=c1[n-]c2nc(-c3ccccc3)c(-c3ccccc3)nc2c(=S)[nH]1 ZINC000038792837 564165735 /nfs/dbraw/zinc/16/57/35/564165735.db2.gz CGIJUNUHGKECDZ-UHFFFAOYSA-N -1 3 348.456 4.705 50 0 EJAAHM CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1[O-] ZINC000003903961 210089242 /nfs/dbraw/zinc/08/92/42/210089242.db2.gz LVTOGSYEVIGZRJ-SOFGYWHQSA-N -1 3 341.794 4.869 50 0 EJAAHM [O-]c1ccccc1-c1nc(/C=C\c2ccccc2)nn1-c1ccccc1 ZINC000038173242 213205442 /nfs/dbraw/zinc/20/54/42/213205442.db2.gz HJBOXJGETYZTCL-NXVVXOECSA-N -1 3 339.398 4.810 50 0 EJAAHM [O-]c1cc(O)ccc1-c1csc(Cc2c(F)cccc2Cl)n1 ZINC000023624532 202106345 /nfs/dbraw/zinc/10/63/45/202106345.db2.gz LOENHCYGSHYOLP-UHFFFAOYSA-N -1 3 335.787 4.605 50 0 EJAAHM CSc1[n-]c(-c2ccccc2)nc2nc(-c3ccccc3)cc(=O)c1-2 ZINC000000050242 209390725 /nfs/dbraw/zinc/39/07/25/209390725.db2.gz IJRMYBWSAIGXMI-UHFFFAOYSA-N -1 3 345.427 4.786 50 0 EJAAHM Cc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)[O-])ccc2n1 ZINC000019793902 212068881 /nfs/dbraw/zinc/06/88/81/212068881.db2.gz YMZRZZLNRCKKOW-UHFFFAOYSA-N -1 3 326.783 4.947 50 0 EJAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 ZINC000080330053 217298829 /nfs/dbraw/zinc/29/88/29/217298829.db2.gz XRZVLBACNFAHSW-CQSZACIVSA-N -1 3 349.481 4.580 50 0 EJAAHM Cc1cc(C(=O)[N-]c2nc(-c3cccc4ccccc43)cs2)on1 ZINC000012422383 211376645 /nfs/dbraw/zinc/37/66/45/211376645.db2.gz IRKFFUUDVZGGNP-UHFFFAOYSA-N -1 3 335.388 4.512 50 0 EJAAHM Cc1cc(C(=O)[N-]c2sccc2-c2nc3ccccc3s2)on1 ZINC000012422472 211376677 /nfs/dbraw/zinc/37/66/77/211376677.db2.gz BYVUQYVKJKAXGB-UHFFFAOYSA-N -1 3 341.417 4.574 50 0 EJAAHM Cc1cc([N-]C(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)no1 ZINC000011666557 211231003 /nfs/dbraw/zinc/23/10/03/211231003.db2.gz DLGNZCNSSUREQA-UHFFFAOYSA-N -1 3 337.162 4.802 50 0 EJAAHM Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000010749747 211188221 /nfs/dbraw/zinc/18/82/21/211188221.db2.gz WXUBSBORXIJCIH-UHFFFAOYSA-N -1 3 327.236 4.816 50 0 EJAAHM CC(C)(C)[C@H]1CCc2c(sc3[n-]c(-c4cccs4)nc(=O)c23)C1 ZINC000009667343 211112362 /nfs/dbraw/zinc/11/23/62/211112362.db2.gz NPSOZJYHKMYEQH-JTQLQIEISA-N -1 3 344.505 4.864 50 0 EJAAHM Cc1nc(Nc2ccc(Cl)cc2Cl)[n-]c(=O)c1CCC(C)C ZINC000009360656 211073428 /nfs/dbraw/zinc/07/34/28/211073428.db2.gz YJZJCZOJUIQWLR-UHFFFAOYSA-N -1 3 340.254 4.717 50 0 EJAAHM CCc1cc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c([O-])cc1OC ZINC000000458980 563325503 /nfs/dbraw/zinc/32/55/03/563325503.db2.gz TYQBFLLOBRFORS-UHFFFAOYSA-N -1 3 342.370 4.593 50 0 EJAAHM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC000001113804 563375200 /nfs/dbraw/zinc/37/52/00/563375200.db2.gz YWLDPIDZESPYMG-UHFFFAOYSA-N -1 3 335.444 4.541 50 0 EJAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000002875821 563459764 /nfs/dbraw/zinc/45/97/64/563459764.db2.gz DZYXBHHANWVGSM-UHFFFAOYSA-N -1 3 335.494 4.552 50 0 EJAAHM CC(=O)c1cc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2cc1[O-] ZINC000068734545 563963322 /nfs/dbraw/zinc/96/33/22/563963322.db2.gz UJMPKBAHOUUKBV-UHFFFAOYSA-N -1 3 328.751 4.534 50 0 EJAAHM O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2[n-]1 ZINC000000038206 563968561 /nfs/dbraw/zinc/96/85/61/563968561.db2.gz QQBULANVRUDXOX-UHFFFAOYSA-N -1 3 331.158 4.643 50 0 EJAAHM [O-]c1ccccc1-c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000000422727 563998545 /nfs/dbraw/zinc/99/85/45/563998545.db2.gz HZUSFTRJHVLESV-UHFFFAOYSA-N -1 3 336.775 4.527 50 0 EJAAHM Cc1ccc(Nc2nc([O-])c(Cc3cccc(Cl)c3)s2)cc1C ZINC000005812904 564054575 /nfs/dbraw/zinc/05/45/75/564054575.db2.gz CTMKRZUJUUERED-MRXNPFEDSA-N -1 3 344.867 4.609 50 0 EJAAHM [O-]N=c1s[nH]c(N2CCCC2)c1Nc1cc(Cl)ccc1Cl ZINC000075286971 564086232 /nfs/dbraw/zinc/08/62/32/564086232.db2.gz PNJSUOMNMRRGHT-UHFFFAOYSA-N -1 3 345.255 4.595 50 0 EJAAHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000006623262 564094553 /nfs/dbraw/zinc/09/45/53/564094553.db2.gz PMXJIANMHVKGNK-UHFFFAOYSA-N -1 3 331.481 4.710 50 0 EJAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000002337899 564132372 /nfs/dbraw/zinc/13/23/72/564132372.db2.gz NTZPLLUZAFVWMM-WUXMJOGZSA-N -1 3 340.187 4.577 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2cccc(Cl)c2)C1 ZINC000102748820 219227672 /nfs/dbraw/zinc/22/76/72/219227672.db2.gz JYGFDXYZHIAZNF-AWEZNQCLSA-N -1 3 344.802 4.594 50 0 EJAAHM O=C(Nc1cc(Cl)ccc1[O-])C(c1ccccc1)c1ccccc1 ZINC000000313340 209531208 /nfs/dbraw/zinc/53/12/08/209531208.db2.gz XBAOBWXDXRQZLC-UHFFFAOYSA-N -1 3 337.806 4.816 50 0 EJAAHM O=C(Nc1ncccc1[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022263900 212286786 /nfs/dbraw/zinc/28/67/86/212286786.db2.gz CKSABVYJCKSCQP-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM Cc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4[O-])n3n2)cc1 ZINC000021729154 212245502 /nfs/dbraw/zinc/24/55/02/212245502.db2.gz QJYGLJVWKJAPDT-UHFFFAOYSA-N -1 3 335.794 4.731 50 0 EJAAHM O=C([N-]c1ccc(F)c(F)c1F)c1occc1COc1ccccc1 ZINC000011370649 211213960 /nfs/dbraw/zinc/21/39/60/211213960.db2.gz SKQIHJKHMLFXJP-UHFFFAOYSA-N -1 3 347.292 4.528 50 0 EJAAHM CCCc1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000004755609 210272609 /nfs/dbraw/zinc/27/26/09/210272609.db2.gz AFUDSWMBPZLGSY-UHFFFAOYSA-N -1 3 338.407 4.844 50 0 EJAAHM [O-]c1cc(Br)ccc1-c1ccnn1-c1ccc(Cl)cc1 ZINC000328579122 258016979 /nfs/dbraw/zinc/01/69/79/258016979.db2.gz SKUQJGBVWNPWSI-UHFFFAOYSA-N -1 3 349.615 4.661 50 0 EJAAHM CCCC[C@H]1CCCN1C(=O)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC000299762408 258079059 /nfs/dbraw/zinc/07/90/59/258079059.db2.gz VWRCSYKUZSJRRR-SFHVURJKSA-N -1 3 341.426 4.993 50 0 EJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C ZINC000002886302 563461739 /nfs/dbraw/zinc/46/17/39/563461739.db2.gz YUNJTYAQFTYZGX-UHFFFAOYSA-N -1 3 344.263 4.719 50 0 EJAAHM Nc1ccc(-c2nnc([N-]c3ccccc3C(F)(F)F)s2)cc1 ZINC000000081448 563218574 /nfs/dbraw/zinc/21/85/74/563218574.db2.gz IQXQCTIMZCFJIS-UHFFFAOYSA-N -1 3 336.342 4.550 50 0 EJAAHM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000245858 563266224 /nfs/dbraw/zinc/26/62/24/563266224.db2.gz WWAWCXSEGBRVOA-AWEZNQCLSA-N -1 3 331.481 4.926 50 0 EJAAHM CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c([O-])c1 ZINC000000406253 563306595 /nfs/dbraw/zinc/30/65/95/563306595.db2.gz GGRWVRLNWGKLOY-UHFFFAOYSA-N -1 3 344.798 4.935 50 0 EJAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000001055722 563371162 /nfs/dbraw/zinc/37/11/62/563371162.db2.gz KSIHWNXYDLURCN-UHFFFAOYSA-N -1 3 341.436 4.893 50 0 EJAAHM O=C(Nc1cc(Br)ccc1[O-])c1cccc2ccccc21 ZINC000000206985 563917019 /nfs/dbraw/zinc/91/70/19/563917019.db2.gz JFVYKBGYXDRPLX-UHFFFAOYSA-N -1 3 342.192 4.560 50 0 EJAAHM Clc1cc(CSc2n[n-]c(-c3cccs3)n2)cc(Cl)n1 ZINC000060533571 563964680 /nfs/dbraw/zinc/96/46/80/563964680.db2.gz MRVFTTKEXKKKOJ-UHFFFAOYSA-N -1 3 343.264 4.527 50 0 EJAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000000975830 564053808 /nfs/dbraw/zinc/05/38/08/564053808.db2.gz LQGIBYQHUCRPIP-WUXMJOGZSA-N -1 3 340.187 4.577 50 0 EJAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccco1 ZINC000003655408 564060154 /nfs/dbraw/zinc/06/01/54/564060154.db2.gz HFEVNYDKHYYBOU-UHFFFAOYSA-N -1 3 349.317 4.648 50 0 EJAAHM c1csc(-c2nc(SCc3csc(C4CCCC4)n3)n[n-]2)c1 ZINC000064023948 564083637 /nfs/dbraw/zinc/08/36/37/564083637.db2.gz DKFOYHWDVJWSPB-UHFFFAOYSA-N -1 3 348.522 4.940 50 0 EJAAHM CC(=NNc1ccc2ccccc2n1)c1ccc2ccccc2c1[O-] ZINC000252457563 564090100 /nfs/dbraw/zinc/09/01/00/564090100.db2.gz RMZOQAMOECWONV-UHFFFAOYSA-N -1 3 327.387 4.930 50 0 EJAAHM CC(=NN=c1ccc2ccccc2[nH]1)c1ccc2ccccc2c1[O-] ZINC000252457563 564090101 /nfs/dbraw/zinc/09/01/01/564090101.db2.gz RMZOQAMOECWONV-UHFFFAOYSA-N -1 3 327.387 4.930 50 0 EJAAHM Fc1ccccc1[N-]c1nnc(SCCc2ccccc2)s1 ZINC000006787167 564097747 /nfs/dbraw/zinc/09/77/47/564097747.db2.gz GVGAQNARUDLMNP-UHFFFAOYSA-N -1 3 331.441 4.756 50 0 EJAAHM Cc1c([O-])ccc2c(CNc3ccc(C(C)(C)C)cc3)cc(=O)oc12 ZINC000007224462 564105885 /nfs/dbraw/zinc/10/58/85/564105885.db2.gz DOFHUTURGAMRRX-UHFFFAOYSA-N -1 3 337.419 4.717 50 0 EJAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000014256158 564112375 /nfs/dbraw/zinc/11/23/75/564112375.db2.gz PJUKDHWEEQFPMK-UHFFFAOYSA-N -1 3 341.835 4.577 50 0 EJAAHM Cc1ccc(SCC(=O)[N-]c2oncc2-c2ccc(C)cc2)cc1 ZINC000016841382 564113805 /nfs/dbraw/zinc/11/38/05/564113805.db2.gz JSNHLLBFBUBDSH-UHFFFAOYSA-N -1 3 338.432 4.689 50 0 EJAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000002626769 564151347 /nfs/dbraw/zinc/15/13/47/564151347.db2.gz ZLUQQVNDZNXJNU-UHFFFAOYSA-N -1 3 345.802 4.626 50 0 EJAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(-c2ccc(F)cc2)s1 ZINC000008395308 564165091 /nfs/dbraw/zinc/16/50/91/564165091.db2.gz NLTXNAKDUJLEDB-UHFFFAOYSA-N -1 3 345.424 4.535 50 0 EJAAHM Cc1ccccc1-c1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079061 210114379 /nfs/dbraw/zinc/11/43/79/210114379.db2.gz CDIZNTLGILKOBP-UHFFFAOYSA-N -1 3 347.802 4.558 50 0 EJAAHM [O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccccc2)C1 ZINC000013127820 201886317 /nfs/dbraw/zinc/88/63/17/201886317.db2.gz ANQWQLGUIIXYDF-HXUWFJFHSA-N -1 3 339.398 4.856 50 0 EJAAHM O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2[O-])on1 ZINC000003908567 210091718 /nfs/dbraw/zinc/09/17/18/210091718.db2.gz FMPUXCXKIRTFKB-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908272 210091597 /nfs/dbraw/zinc/09/15/97/210091597.db2.gz BJHTUDPMYXFEJU-UHFFFAOYSA-N -1 3 344.823 4.969 50 0 EJAAHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022263905 202082356 /nfs/dbraw/zinc/08/23/56/202082356.db2.gz FXUZAWVILGWCOQ-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@H]3[C@@H]1CCC2=O ZINC000027531091 202155842 /nfs/dbraw/zinc/15/58/42/202155842.db2.gz NQFVJAYQCZUYON-QDTBLXIISA-N -1 3 349.268 4.580 50 0 biogenic EJAAHM Cc1nnc([N-]C(=O)c2cc3sc4ccccc4c3s2)s1 ZINC000037117604 213133240 /nfs/dbraw/zinc/13/32/40/213133240.db2.gz LTSFQMXQORRJLZ-UHFFFAOYSA-N -1 3 331.447 4.528 50 0 EJAAHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000058382088 202762937 /nfs/dbraw/zinc/76/29/37/202762937.db2.gz IXMOJSDDGFVOAW-UHFFFAOYSA-N -1 3 339.416 4.690 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000226794759 242114777 /nfs/dbraw/zinc/11/47/77/242114777.db2.gz SQXYXCGITZJBCT-UHFFFAOYSA-N -1 3 337.419 4.705 50 0 EJAAHM CCSc1nnc([N-]C(=O)c2sccc2-c2ccccc2)s1 ZINC000009910806 211133073 /nfs/dbraw/zinc/13/30/73/211133073.db2.gz PUJJCGHHDVOWGH-UHFFFAOYSA-N -1 3 347.490 4.631 50 0 EJAAHM CCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004988457 210351836 /nfs/dbraw/zinc/35/18/36/210351836.db2.gz UTZNIVIONDQLOE-UHFFFAOYSA-N -1 3 330.771 4.511 50 0 EJAAHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(C(F)(F)F)s2)CC)n1 ZINC000408515082 257982979 /nfs/dbraw/zinc/98/29/79/257982979.db2.gz HBQHKAOJDNMUGI-RMKNXTFCSA-N -1 3 343.374 4.561 50 0 EJAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000000270122 563269584 /nfs/dbraw/zinc/26/95/84/563269584.db2.gz NASWBNMVRITYBH-UHFFFAOYSA-N -1 3 331.481 4.809 50 0 EJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000000472319 563332163 /nfs/dbraw/zinc/33/21/63/563332163.db2.gz FUNUJGOIJYHWQP-UHFFFAOYSA-N -1 3 337.444 4.771 50 0 EJAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccccc2Cl)on1 ZINC000000614637 563357382 /nfs/dbraw/zinc/35/73/82/563357382.db2.gz IKPWOFGMTMIPHL-UHFFFAOYSA-N -1 3 334.709 4.526 50 0 EJAAHM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000859746 563365237 /nfs/dbraw/zinc/36/52/37/563365237.db2.gz JPKOIPRXKQNLGP-CQSZACIVSA-N -1 3 331.481 4.926 50 0 EJAAHM CCCCCCc1cc(C(=O)Nc2cccc(Cl)c2)[n-]c(=S)n1 ZINC000006397215 563567182 /nfs/dbraw/zinc/56/71/82/563567182.db2.gz APUKNAROHFANHJ-UHFFFAOYSA-N -1 3 349.887 4.794 50 0 EJAAHM Cc1sc2[n-]c(CNc3ccccc3)nc(=O)c2c1-c1ccccc1 ZINC000008715525 563637299 /nfs/dbraw/zinc/63/72/99/563637299.db2.gz SFTULCYTJFOQSG-UHFFFAOYSA-N -1 3 347.443 4.572 50 0 EJAAHM O=c1cc(CSCc2ccc(Cl)cc2)nc(-c2ccccc2)[n-]1 ZINC000012336343 563658157 /nfs/dbraw/zinc/65/81/57/563658157.db2.gz MEQWBNBTDNZKJV-UHFFFAOYSA-N -1 3 342.851 4.524 50 0 EJAAHM Fc1ccc(CSc2n[n-]c(-c3cccs3)n2)c(Cl)c1 ZINC000012793412 563671894 /nfs/dbraw/zinc/67/18/94/563671894.db2.gz LUMRNSYDWPKDCU-UHFFFAOYSA-N -1 3 325.821 4.618 50 0 EJAAHM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc2ccccc2o1 ZINC000000253061 563989645 /nfs/dbraw/zinc/98/96/45/563989645.db2.gz UXKKMQBZFPBJED-UHFFFAOYSA-N -1 3 349.342 4.608 50 0 EJAAHM Cc1ccc2nc(-c3ccccc3)c(C(=O)c3ccccc3)c([O-])c2c1 ZINC000017111796 564011169 /nfs/dbraw/zinc/01/11/69/564011169.db2.gz HJHPOOGFIQIFRC-UHFFFAOYSA-N -1 3 339.394 4.735 50 0 EJAAHM CC(/C=C1/SC(=O)N(c2ccc([O-])cc2)C1=O)=C/c1ccccc1 ZINC000001236419 564062261 /nfs/dbraw/zinc/06/22/61/564062261.db2.gz SBULCXPNJGZXRW-RTNVFWHRSA-N -1 3 337.400 4.579 50 0 EJAAHM Cc1c([O-])ccc2c(CSc3ccccc3Cl)cc(=O)oc12 ZINC000006351678 564085269 /nfs/dbraw/zinc/08/52/69/564085269.db2.gz CYJSYDVOMCDGIU-UHFFFAOYSA-N -1 3 332.808 4.753 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006884628 564100646 /nfs/dbraw/zinc/10/06/46/564100646.db2.gz LCNOMNZOTXGREB-UHFFFAOYSA-N -1 3 347.292 4.923 50 0 EJAAHM CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000071284692 564110891 /nfs/dbraw/zinc/11/08/91/564110891.db2.gz XUIKUPPABIETKU-AWEZNQCLSA-N -1 3 333.482 4.778 50 0 EJAAHM O=C([O-])C1CCC(N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000263435964 564161694 /nfs/dbraw/zinc/16/16/94/564161694.db2.gz UPGSGDVACISVAY-ZEPSKSRBSA-N -1 3 342.266 4.678 50 0 EJAAHM CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000009156161 564170688 /nfs/dbraw/zinc/17/06/88/564170688.db2.gz XPYJSGIJNFEELQ-UHFFFAOYSA-N -1 3 347.465 4.523 50 0 EJAAHM Fc1ccccc1[N-]c1nnc(SCCOc2ccccc2)s1 ZINC000003317638 210005989 /nfs/dbraw/zinc/00/59/89/210005989.db2.gz ARRNQZRJAKLZRZ-UHFFFAOYSA-N -1 3 347.440 4.592 50 0 EJAAHM CCc1ccc(-c2csc([N-]C(=O)c3scnc3Cl)n2)cc1 ZINC000040146524 213273113 /nfs/dbraw/zinc/27/31/13/213273113.db2.gz GYLUQVKTDALGNL-UHFFFAOYSA-N -1 3 349.868 4.735 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022024235 212271197 /nfs/dbraw/zinc/27/11/97/212271197.db2.gz BOEKTPAXTXIWSB-UHFFFAOYSA-N -1 3 349.230 4.682 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccc2)nc2ccccc21 ZINC000022024229 212271005 /nfs/dbraw/zinc/27/10/05/212271005.db2.gz CRWYQDDIYHZNMW-UHFFFAOYSA-N -1 3 340.382 4.860 50 0 EJAAHM Cc1c([O-])c(-c2cc[nH]n2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000000080867 563218612 /nfs/dbraw/zinc/21/86/12/563218612.db2.gz GNTDIXSFVUOIDD-UHFFFAOYSA-N -1 3 349.217 4.977 50 0 EJAAHM COc1ccc(OC)c(C(=O)c2coc3c2cc([O-])c2ccccc32)c1 ZINC000000444973 563316676 /nfs/dbraw/zinc/31/66/76/563316676.db2.gz JJNKBDMMRLAFAP-UHFFFAOYSA-N -1 3 348.354 4.540 50 0 EJAAHM Cc1noc([N-]C(=O)Nc2c(C)onc2-c2ccccc2Cl)c1C ZINC000003126486 563473340 /nfs/dbraw/zinc/47/33/40/563473340.db2.gz KBPLWHQEPJQCJU-UHFFFAOYSA-N -1 3 346.774 4.552 50 0 EJAAHM [O-]c1cccc2ccc(/C=C/c3ccc(Br)s3)nc12 ZINC000004755165 563510500 /nfs/dbraw/zinc/51/05/00/563510500.db2.gz XTQOBCQQVGVHDH-VOTSOKGWSA-N -1 3 332.222 4.935 50 0 EJAAHM CCSc1nnc([N-]C(=O)c2oc3ccc(CC)cc3c2C)s1 ZINC000005050930 563520086 /nfs/dbraw/zinc/52/00/86/563520086.db2.gz CMKHFJYZMLVQFA-UHFFFAOYSA-N -1 3 347.465 4.519 50 0 EJAAHM O=c1nc(-c2ccc(-c3ccccc3)o2)[n-]c2sc3c(c21)CCCC3 ZINC000008553780 563632319 /nfs/dbraw/zinc/63/23/19/563632319.db2.gz TVTUJYIKYNZETG-UHFFFAOYSA-N -1 3 348.427 4.790 50 0 EJAAHM COc1ccc(-c2nc(=S)[nH]cc2-c2ccc(Cl)cc2)c([O-])c1 ZINC000011869524 563651825 /nfs/dbraw/zinc/65/18/25/563651825.db2.gz POAXOHCKDIFPKS-UHFFFAOYSA-N -1 3 344.823 4.841 50 0 EJAAHM Cc1ccccc1-c1cc2nccc(-c3cc(Cl)ccc3[O-])n2n1 ZINC000013828326 563935123 /nfs/dbraw/zinc/93/51/23/563935123.db2.gz CJTDYDCIKOQPRV-UHFFFAOYSA-N -1 3 335.794 4.731 50 0 EJAAHM Cc1cc([O-])c(-c2ccnc3cc(-c4ccccc4)nn32)cc1Cl ZINC000013828318 563935148 /nfs/dbraw/zinc/93/51/48/563935148.db2.gz KUORVPOYTLTQJH-UHFFFAOYSA-N -1 3 335.794 4.731 50 0 EJAAHM O=C([N-]c1nc(-c2ccccc2)cs1)c1cc(-c2ccccc2)on1 ZINC000058390664 563944423 /nfs/dbraw/zinc/94/44/23/563944423.db2.gz URGOZSWPALESQY-UHFFFAOYSA-N -1 3 347.399 4.717 50 0 EJAAHM O=C(Nc1ccc(C2CCCCC2)cc1)C(=S)[N-]C1CCCCC1 ZINC000000045056 563970393 /nfs/dbraw/zinc/97/03/93/563970393.db2.gz RWRLZSXFOUCBNG-UHFFFAOYSA-N -1 3 344.524 4.923 50 0 EJAAHM CCCOc1cc([O-])c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC ZINC000004807542 563974899 /nfs/dbraw/zinc/97/48/99/563974899.db2.gz OKUCEMHOKVNGID-UHFFFAOYSA-N -1 3 343.452 4.565 50 0 EJAAHM O=C([N-]c1cccc(Cl)c1F)c1cc(-c2ccc(F)cc2)on1 ZINC000125799424 563995633 /nfs/dbraw/zinc/99/56/33/563995633.db2.gz KQYMBYVOKHFVCS-UHFFFAOYSA-N -1 3 334.709 4.526 50 0 EJAAHM [O-]c1ccccc1C1=N[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000061868520 564001662 /nfs/dbraw/zinc/00/16/62/564001662.db2.gz UJROPHQMKHBBEJ-DENIHFKCSA-N -1 3 328.415 4.615 50 0 EJAAHM O=C([N-]c1c(Cl)cccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000206586793 564003061 /nfs/dbraw/zinc/00/30/61/564003061.db2.gz YALMFBMBEHGTAW-UHFFFAOYSA-N -1 3 333.174 4.901 50 0 EJAAHM CCCc1cc(-c2n[nH]cc2-c2ccc(F)cc2)c([O-])cc1OC ZINC000000495136 564017942 /nfs/dbraw/zinc/01/79/42/564017942.db2.gz XPMVBSQRJHRNNW-UHFFFAOYSA-N -1 3 326.371 4.550 50 0 EJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000007403931 564107939 /nfs/dbraw/zinc/10/79/39/564107939.db2.gz SYYQYNKYAMKVSQ-UHFFFAOYSA-N -1 3 331.824 4.602 50 0 EJAAHM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000526052242 564108654 /nfs/dbraw/zinc/10/86/54/564108654.db2.gz IQMXQQCWBOXRAT-UHFFFAOYSA-N -1 3 347.827 4.684 50 0 EJAAHM O=C([N-]c1ccccc1SC(F)F)c1ccc(Br)o1 ZINC000009314024 564172518 /nfs/dbraw/zinc/17/25/18/564172518.db2.gz NHQXMRQUWFNOGS-UHFFFAOYSA-N -1 3 348.168 4.609 50 0 EJAAHM Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)c([O-])c1 ZINC000009836486 564174696 /nfs/dbraw/zinc/17/46/96/564174696.db2.gz NWMAABJKGPYUPL-UHFFFAOYSA-N -1 3 333.387 4.532 50 0 EJAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907689 210091214 /nfs/dbraw/zinc/09/12/14/210091214.db2.gz CLRWQZVBHPWGIX-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM [O-]c1ccccc1-c1nc(/C=C/c2cccs2)nn1-c1ccccc1 ZINC000005014282 210361645 /nfs/dbraw/zinc/36/16/45/210361645.db2.gz GLGYKOVJGQBRTC-OUKQBFOZSA-N -1 3 345.427 4.872 50 0 EJAAHM CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(F)cc2[O-])c1 ZINC000299762406 258079782 /nfs/dbraw/zinc/07/97/82/258079782.db2.gz VWRCSYKUZSJRRR-GOSISDBHSA-N -1 3 341.426 4.993 50 0 EJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000000242488 563265319 /nfs/dbraw/zinc/26/53/19/563265319.db2.gz CNVCCFAYQTVEHY-UHFFFAOYSA-N -1 3 329.465 4.844 50 0 EJAAHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000365187 563296196 /nfs/dbraw/zinc/29/61/96/563296196.db2.gz JHTULMNKLFLNTH-CYBMUJFWSA-N -1 3 331.843 4.986 50 0 EJAAHM O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000000480383 563336030 /nfs/dbraw/zinc/33/60/30/563336030.db2.gz RSWFYOXWURZZEV-KRWDZBQOSA-N -1 3 343.854 4.580 50 0 EJAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000000514279 563339974 /nfs/dbraw/zinc/33/99/74/563339974.db2.gz LKWCWQDEROXDSL-UHFFFAOYSA-N -1 3 337.444 4.717 50 0 EJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c(C)c1 ZINC000000612039 563355060 /nfs/dbraw/zinc/35/50/60/563355060.db2.gz ZCKWHZDTCRISTJ-UHFFFAOYSA-N -1 3 331.481 4.844 50 0 EJAAHM O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Cl)ccc1[O-] ZINC000012958890 563679020 /nfs/dbraw/zinc/67/90/20/563679020.db2.gz ZTCLGWOPHBAXJC-SDQBBNPISA-N -1 3 339.700 4.557 50 0 EJAAHM COc1ccc([O-])c(C2=Nc3ccccc3N=C(c3ccco3)C2)c1 ZINC000013126465 563689626 /nfs/dbraw/zinc/68/96/26/563689626.db2.gz OQISMEJUMUIZMF-UHFFFAOYSA-N -1 3 332.359 4.639 50 0 EJAAHM CCCCCc1c(C)nc(Nc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000017027282 563829295 /nfs/dbraw/zinc/82/92/95/563829295.db2.gz NZJFSEQRSPGATJ-UHFFFAOYSA-N -1 3 340.254 4.861 50 0 EJAAHM CC(C)(C)C(=O)Cc1nsc([N-]c2cccc(Cl)c2Cl)n1 ZINC000017071793 563835389 /nfs/dbraw/zinc/83/53/89/563835389.db2.gz OUXOISCGQFAKNK-UHFFFAOYSA-N -1 3 344.267 4.746 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1ccc(CSc2ccccc2)o1 ZINC000030603109 563910069 /nfs/dbraw/zinc/91/00/69/563910069.db2.gz NXOLPRYMODNTSP-UHFFFAOYSA-N -1 3 325.389 4.530 50 0 EJAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C)cc1 ZINC000005642598 564006921 /nfs/dbraw/zinc/00/69/21/564006921.db2.gz FMKHFVBCPACZHA-INIZCTEOSA-N -1 3 345.468 4.682 50 0 EJAAHM CCc1noc(C)c1[N-]C(=O)c1ccc(-c2ccccc2F)s1 ZINC000120863956 564060296 /nfs/dbraw/zinc/06/02/96/564060296.db2.gz FCAWDTPCOJHNON-UHFFFAOYSA-N -1 3 330.384 4.665 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccsc2)S1 ZINC000085411941 564072893 /nfs/dbraw/zinc/07/28/93/564072893.db2.gz HWQVBVGIOGOJBD-CQSZACIVSA-N -1 3 333.482 4.629 50 0 EJAAHM COC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC000575409802 564078876 /nfs/dbraw/zinc/07/88/76/564078876.db2.gz NWQFJEKEHLXGPS-UHFFFAOYSA-N -1 3 330.689 4.518 50 0 EJAAHM CCCCCc1nc2onc(-c3ccc(CCCC)s3)c2c(=O)[n-]1 ZINC000066089489 564124206 /nfs/dbraw/zinc/12/42/06/564124206.db2.gz YDVAITZJXOFYFW-UHFFFAOYSA-N -1 3 345.468 4.715 50 0 EJAAHM c1csc(-c2nc(SCc3coc(-c4cccs4)n3)n[n-]2)c1 ZINC000008850007 564167501 /nfs/dbraw/zinc/16/75/01/564167501.db2.gz MDUWBPJXAQDBAO-UHFFFAOYSA-N -1 3 346.462 4.542 50 0 EJAAHM CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc([O-])cc1 ZINC000004567483 210222829 /nfs/dbraw/zinc/22/28/29/210222829.db2.gz AXLXCETVFZNQRI-ZPHPHTNESA-N -1 3 330.840 4.828 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907699 210091812 /nfs/dbraw/zinc/09/18/12/210091812.db2.gz PVFIVQFYTKCNSE-UHFFFAOYSA-N -1 3 344.823 4.969 50 0 EJAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccccc1)c1ccco1 ZINC000003655319 210072176 /nfs/dbraw/zinc/07/21/76/210072176.db2.gz JTIFMUBYUGVEPI-UHFFFAOYSA-N -1 3 331.327 4.509 50 0 EJAAHM [O-]c1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(Cl)ccc1O2 ZINC000020380355 202040319 /nfs/dbraw/zinc/04/03/19/202040319.db2.gz KNWBFOVKZQBROQ-UHFFFAOYSA-N -1 3 342.807 4.862 50 0 EJAAHM Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[n-]1 ZINC000021883811 202072968 /nfs/dbraw/zinc/07/29/68/202072968.db2.gz ITJSOAREMPCVOP-UHFFFAOYSA-N -1 3 347.443 4.519 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC000040128616 202173204 /nfs/dbraw/zinc/17/32/04/202173204.db2.gz LWEDCMWEBDUHSO-UHFFFAOYSA-N -1 3 326.446 4.784 50 0 EJAAHM [O-]c1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000013126319 201364648 /nfs/dbraw/zinc/36/46/48/201364648.db2.gz YLNHOUUJLKNPFC-UHFFFAOYSA-N -1 3 349.615 4.865 50 0 EJAAHM CCOc1cc2c(cc1/C=C/c1ccc3cccc([O-])c3n1)O[C@H](C)C2 ZINC000012549217 211406828 /nfs/dbraw/zinc/40/68/28/211406828.db2.gz WYEUIHYRRUSHTG-QSYFUGGGSA-N -1 3 347.414 4.833 50 0 EJAAHM Cc1[nH]nc(-c2ccc(O)c(C)c2[O-])c1Oc1ccc(Cl)cc1 ZINC000009242444 211058118 /nfs/dbraw/zinc/05/81/18/211058118.db2.gz WZOOJTKGSSHTDK-UHFFFAOYSA-N -1 3 330.771 4.550 50 0 EJAAHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000365188 563296142 /nfs/dbraw/zinc/29/61/42/563296142.db2.gz JHTULMNKLFLNTH-ZDUSSCGKSA-N -1 3 331.843 4.986 50 0 EJAAHM Cc1ccc(NCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000008715530 563637310 /nfs/dbraw/zinc/63/73/10/563637310.db2.gz YCKLQELPARWEGH-UHFFFAOYSA-N -1 3 347.443 4.572 50 0 EJAAHM Cc1ccccc1NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008715531 563637419 /nfs/dbraw/zinc/63/74/19/563637419.db2.gz YUCWYUZBQYEUMT-UHFFFAOYSA-N -1 3 347.443 4.572 50 0 EJAAHM CCCCSc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000016639453 563818442 /nfs/dbraw/zinc/81/84/42/563818442.db2.gz KMIGJLSNZBTESU-UHFFFAOYSA-N -1 3 349.521 4.942 50 0 EJAAHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(C(F)(F)F)s2)CC)n1 ZINC000435340370 563974739 /nfs/dbraw/zinc/97/47/39/563974739.db2.gz HBQHKAOJDNMUGI-TWGQIWQCSA-N -1 3 343.374 4.561 50 0 EJAAHM CC1(C)CCc2c([O-])c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1 ZINC000000344120 563991400 /nfs/dbraw/zinc/99/14/00/563991400.db2.gz QTQKQNIYZVFVON-UHFFFAOYSA-N -1 3 345.442 4.725 50 0 EJAAHM [O-]c1ccccc1C1=N[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000061868521 564001701 /nfs/dbraw/zinc/00/17/01/564001701.db2.gz UJROPHQMKHBBEJ-UGKGYDQZSA-N -1 3 328.415 4.615 50 0 EJAAHM [O-]c1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1 ZINC000013129919 564025918 /nfs/dbraw/zinc/02/59/18/564025918.db2.gz QRDUPZWKIMRACK-UHFFFAOYSA-N -1 3 348.299 4.873 50 0 aggregator EJAAHM O=C([N-]c1ccccc1SCC(F)(F)F)c1ccc(Cl)o1 ZINC000025089522 564053254 /nfs/dbraw/zinc/05/32/54/564053254.db2.gz MLQJKBJOHNMBPZ-UHFFFAOYSA-N -1 3 335.734 4.840 50 0 EJAAHM [O-]c1cc(O)ccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013228437 564081627 /nfs/dbraw/zinc/08/16/27/564081627.db2.gz YKZFBYGKWSTWIZ-UHFFFAOYSA-N -1 3 328.371 4.822 50 0 EJAAHM CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c([O-])cc1O ZINC000000458764 564118924 /nfs/dbraw/zinc/11/89/24/564118924.db2.gz UMWWRGOCFBZBMK-UHFFFAOYSA-N -1 3 348.324 4.736 50 0 EJAAHM CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCCC1 ZINC000079482424 564138197 /nfs/dbraw/zinc/13/81/97/564138197.db2.gz KEUBYDAFEYDBCY-HNNXBMFYSA-N -1 3 337.489 4.906 50 0 EJAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccccc1)c1cccs1 ZINC000003655318 210072385 /nfs/dbraw/zinc/07/23/85/210072385.db2.gz QTSHHSCPXWUYJJ-UHFFFAOYSA-N -1 3 347.395 4.978 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccccc2Cl)C1 ZINC000102754608 219227376 /nfs/dbraw/zinc/22/73/76/219227376.db2.gz SKZOZRQWHVTYDG-AWEZNQCLSA-N -1 3 344.802 4.594 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2cccc(Cl)c2)C1 ZINC000102748824 219227642 /nfs/dbraw/zinc/22/76/42/219227642.db2.gz JYGFDXYZHIAZNF-CQSZACIVSA-N -1 3 344.802 4.594 50 0 EJAAHM Cc1cccc(N(Cc2cccc3ccccc32)c2nc([O-])cs2)c1 ZINC000003365749 210018404 /nfs/dbraw/zinc/01/84/04/210018404.db2.gz VHCLMZPMIMWCAN-UHFFFAOYSA-N -1 3 346.455 4.784 50 0 EJAAHM Cc1ccc2nc([N-]C(=O)c3cc(-c4cccs4)on3)sc2c1 ZINC000027990556 202163190 /nfs/dbraw/zinc/16/31/90/202163190.db2.gz ULCNNFFCJWMBCN-UHFFFAOYSA-N -1 3 341.417 4.574 50 0 EJAAHM CCc1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cc1 ZINC000020995729 212196621 /nfs/dbraw/zinc/19/66/21/212196621.db2.gz BHSJBPQPPCCMAM-UHFFFAOYSA-N -1 3 325.799 4.545 50 0 EJAAHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@@H]3[C@H]1CCC2=O ZINC000245296657 243104413 /nfs/dbraw/zinc/10/44/13/243104413.db2.gz NQFVJAYQCZUYON-YVVSIOMPSA-N -1 3 349.268 4.580 50 0 biogenic EJAAHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@H]3[C@H]1CCC2=O ZINC000245296656 243104524 /nfs/dbraw/zinc/10/45/24/243104524.db2.gz NQFVJAYQCZUYON-JCTQEILZSA-N -1 3 349.268 4.580 50 0 biogenic EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2cccnc2)S1 ZINC000071284667 203089669 /nfs/dbraw/zinc/08/96/69/203089669.db2.gz SHVVHVHXHLTRLO-INIZCTEOSA-N -1 3 342.468 4.765 50 0 EJAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000079464440 217228693 /nfs/dbraw/zinc/22/86/93/217228693.db2.gz XRZVLBACNFAHSW-AWEZNQCLSA-N -1 3 349.481 4.580 50 0 EJAAHM [O-]/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000009486360 211090436 /nfs/dbraw/zinc/09/04/36/211090436.db2.gz MTPNKJNLYOJGGR-LSDHQDQOSA-N -1 3 339.435 4.629 50 0 EJAAHM Cc1cc([O-])ccc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000097102681 218954406 /nfs/dbraw/zinc/95/44/06/218954406.db2.gz BRHBRTLLKQGQKG-UHFFFAOYSA-N -1 3 345.358 4.605 50 0 EJAAHM Cc1cc(NC(=O)C(C)C)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000004988499 210351456 /nfs/dbraw/zinc/35/14/56/210351456.db2.gz URZFRWNOOVXYGE-UHFFFAOYSA-N -1 3 344.798 4.757 50 0 EJAAHM CCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000004988456 210350755 /nfs/dbraw/zinc/35/07/55/210350755.db2.gz GHJFTBHMZPYVQS-UHFFFAOYSA-N -1 3 338.407 4.981 50 0 EJAAHM CCc1cccc([C@@H](C)CC)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000139423 563241508 /nfs/dbraw/zinc/24/15/08/563241508.db2.gz MXUJHFBSUNLXKE-HNNXBMFYSA-N -1 3 331.481 4.872 50 0 EJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000000245707 563265805 /nfs/dbraw/zinc/26/58/05/563265805.db2.gz ZOUYNDLOXNGOGV-UHFFFAOYSA-N -1 3 344.263 4.719 50 0 EJAAHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000859748 563365226 /nfs/dbraw/zinc/36/52/26/563365226.db2.gz JPKOIPRXKQNLGP-AWEZNQCLSA-N -1 3 331.481 4.926 50 0 EJAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907703 563491103 /nfs/dbraw/zinc/49/11/03/563491103.db2.gz KLAXTCOUGRXRBI-UHFFFAOYSA-N -1 3 334.709 4.526 50 0 EJAAHM O=C([O-])c1cccc(-c2ccc(CNCCC3=CCCCC3)o2)c1 ZINC000013724054 563717615 /nfs/dbraw/zinc/71/76/15/563717615.db2.gz ZACVTDOHMJIUOI-UHFFFAOYSA-N -1 3 325.408 4.625 50 0 EJAAHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1[O-] ZINC000032814962 563753497 /nfs/dbraw/zinc/75/34/97/563753497.db2.gz KWOONRINVVPFIS-UHFFFAOYSA-N -1 3 345.398 4.661 50 0 EJAAHM CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)o2)c([O-])c1 ZINC000005953915 563866483 /nfs/dbraw/zinc/86/64/83/563866483.db2.gz PSFYQHWDFXWPKJ-SECBINFHSA-N -1 3 338.201 4.514 50 0 EJAAHM Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000004733333 563971812 /nfs/dbraw/zinc/97/18/12/563971812.db2.gz JGTPTKSTSMRNEU-UHFFFAOYSA-N -1 3 344.370 4.761 50 0 EJAAHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c([O-])c1 ZINC000048265082 564030376 /nfs/dbraw/zinc/03/03/76/564030376.db2.gz FHJFXUQHTUBGEA-MRXNPFEDSA-N -1 3 347.414 4.774 50 0 EJAAHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c([O-])c1 ZINC000048265084 564030387 /nfs/dbraw/zinc/03/03/87/564030387.db2.gz FHJFXUQHTUBGEA-INIZCTEOSA-N -1 3 347.414 4.774 50 0 EJAAHM Fc1cccc(Cl)c1CSc1n[n-]c(-c2cccs2)n1 ZINC000008343548 564035418 /nfs/dbraw/zinc/03/54/18/564035418.db2.gz ZQVNAFWUVYNGNF-UHFFFAOYSA-N -1 3 325.821 4.618 50 0 EJAAHM CCO[N-]C(=O)CCCCCCSc1ccc2ccccc2c1 ZINC000041181976 564052122 /nfs/dbraw/zinc/05/21/22/564052122.db2.gz VBWHYOOIVLGKQN-UHFFFAOYSA-N -1 3 331.481 4.950 50 0 EJAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)S1 ZINC000000975814 564053811 /nfs/dbraw/zinc/05/38/11/564053811.db2.gz LINLFOKYKLOFSG-IZZDOVSWSA-N -1 3 340.187 4.577 50 0 EJAAHM CC(C)c1nc2sc3c([n-]cnc3=S)c2c2c1COC(C)(C)C2 ZINC000005822549 564056416 /nfs/dbraw/zinc/05/64/16/564056416.db2.gz FPEAZVHHRYXVFK-UHFFFAOYSA-N -1 3 345.493 4.877 50 0 EJAAHM Cc1noc(C)c1C(=O)[N-]c1cccc(Cl)c1SC(F)F ZINC000065553654 564107540 /nfs/dbraw/zinc/10/75/40/564107540.db2.gz ICXCIQYMJSEKDM-UHFFFAOYSA-N -1 3 332.759 4.512 50 0 EJAAHM c1csc(-c2cc(CSc3n[n-]c(-c4cccs4)n3)no2)c1 ZINC000007725891 564122336 /nfs/dbraw/zinc/12/23/36/564122336.db2.gz URMMOWHAOVRTET-UHFFFAOYSA-N -1 3 346.462 4.542 50 0 EJAAHM CCOC(=O)c1sc([N-]c2nc3c(cccc3F)s2)cc1C ZINC000004137686 564160888 /nfs/dbraw/zinc/16/08/88/564160888.db2.gz SQUGXPCHJRAJLW-UHFFFAOYSA-N -1 3 336.413 4.726 50 0 EJAAHM O=C([O-])C1CCC(N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000263496426 564162249 /nfs/dbraw/zinc/16/22/49/564162249.db2.gz TVBRWKMJYDURLG-IMRCBTMISA-N -1 3 349.883 4.724 50 0 EJAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1nonc1-c1ccccc1 ZINC000008869486 564167481 /nfs/dbraw/zinc/16/74/81/564167481.db2.gz VSOFIGMETLKVQS-UHFFFAOYSA-N -1 3 347.374 4.660 50 0 EJAAHM Cc1cc2nc([N-]C(=O)c3nc4ccccc4s3)sc2cc1C ZINC000004586150 210227460 /nfs/dbraw/zinc/22/74/60/210227460.db2.gz WQIDOQTUEFSOMG-UHFFFAOYSA-N -1 3 339.445 4.775 50 0 EJAAHM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(Cl)c(F)c2)S1 ZINC000004050230 210107432 /nfs/dbraw/zinc/10/74/32/210107432.db2.gz HECIPPVIVJEVMK-AUWJEWJLSA-N -1 3 349.770 4.595 50 0 EJAAHM CC(C)c1ccc(NC(=O)c2n[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000206652750 241048556 /nfs/dbraw/zinc/04/85/56/241048556.db2.gz WUQUYENTBWDRLZ-UHFFFAOYSA-N -1 3 340.814 4.501 50 0 EJAAHM Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000011814955 211249501 /nfs/dbraw/zinc/24/95/01/211249501.db2.gz SYXFLAFOSAZFMP-CQSZACIVSA-N -1 3 349.883 4.510 50 0 EJAAHM Cc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CC[C@@H](C(C)(C)C)C4)o1 ZINC000009667357 211112587 /nfs/dbraw/zinc/11/25/87/211112587.db2.gz AQSCTDAVXVHARM-LLVKDONJSA-N -1 3 342.464 4.704 50 0 EJAAHM [O-]c1ccc(Cl)cc1-c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000008972896 211024595 /nfs/dbraw/zinc/02/45/95/211024595.db2.gz SCWVEXBFZVZYSH-UHFFFAOYSA-N -1 3 349.615 4.865 50 0 EJAAHM CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2F)c([O-])cc1OC ZINC000004864524 210305794 /nfs/dbraw/zinc/30/57/94/210305794.db2.gz QWIKCEQXLVWSBD-UHFFFAOYSA-N -1 3 342.370 4.593 50 0 EJAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C ZINC000011565950 258054294 /nfs/dbraw/zinc/05/42/94/258054294.db2.gz DWCVLJVZKQQSPL-UHFFFAOYSA-N -1 3 347.480 4.592 50 0 EJAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000000274536 563270247 /nfs/dbraw/zinc/27/02/47/563270247.db2.gz WBINWXCCDZITAL-UHFFFAOYSA-N -1 3 329.465 4.844 50 0 EJAAHM [O-]c1cc(-c2nc3ccccc3o2)c(O)cc1-c1nc2ccccc2o1 ZINC000000285055 563272690 /nfs/dbraw/zinc/27/26/90/563272690.db2.gz DZXFKANCARFDPH-UHFFFAOYSA-N -1 3 344.326 4.714 50 0 EJAAHM O=C(Oc1ccccc1)c1cc(Br)c2ccccc2c1[O-] ZINC000000402540 563306413 /nfs/dbraw/zinc/30/64/13/563306413.db2.gz OIOVTLYQTZPXTO-UHFFFAOYSA-N -1 3 343.176 4.527 50 0 EJAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)on1 ZINC000000425665 563309836 /nfs/dbraw/zinc/30/98/36/563309836.db2.gz KDWJEXBBCHRSHL-UHFFFAOYSA-N -1 3 334.709 4.526 50 0 EJAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000000975828 563366682 /nfs/dbraw/zinc/36/66/82/563366682.db2.gz JOAMJRPTKCIKJW-WUXMJOGZSA-N -1 3 340.187 4.577 50 0 EJAAHM [O-]c1cccc2ccc(/C=C/c3ccccc3Br)nc12 ZINC000004124002 563495107 /nfs/dbraw/zinc/49/51/07/563495107.db2.gz XFDOYOJBVKGWCY-CSKARUKUSA-N -1 3 326.193 4.873 50 0 EJAAHM [O-]c1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1 ZINC000013122319 563688989 /nfs/dbraw/zinc/68/89/89/563688989.db2.gz HJBOXJGETYZTCL-FOCLMDBBSA-N -1 3 339.398 4.810 50 0 aggregator EJAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nonc1-c1ccc(C)c(C)c1 ZINC000027989991 563900671 /nfs/dbraw/zinc/90/06/71/563900671.db2.gz IEFIUGSFRVIIHL-UHFFFAOYSA-N -1 3 347.374 4.660 50 0 EJAAHM CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(C(C)=O)c([O-])cc12 ZINC000068755347 563963320 /nfs/dbraw/zinc/96/33/20/563963320.db2.gz KQLWJLDOTWQHFL-UHFFFAOYSA-N -1 3 341.794 4.703 50 0 EJAAHM COc1ccc(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c([O-])c1 ZINC000000185465 563987938 /nfs/dbraw/zinc/98/79/38/563987938.db2.gz RKNNOONLXFEVEB-UHFFFAOYSA-N -1 3 334.297 4.560 50 0 EJAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000000289008 563990240 /nfs/dbraw/zinc/99/02/40/563990240.db2.gz STLMNZVBCJVQOZ-UHFFFAOYSA-N -1 3 329.465 4.844 50 0 in-vitro EJAAHM O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)cc([O-])c12 ZINC000018107177 564018049 /nfs/dbraw/zinc/01/80/49/564018049.db2.gz HIYMWHBMOOSAEF-UHFFFAOYSA-N -1 3 344.366 4.745 50 0 biogenic EJAAHM O=C([N-]c1c(F)c(F)cc(F)c1F)c1cc(Cl)ccc1Cl ZINC000002101439 564058309 /nfs/dbraw/zinc/05/83/09/564058309.db2.gz IRBDDCBJLAOJKU-UHFFFAOYSA-N -1 3 338.087 4.802 50 0 EJAAHM [O-]c1ccc(Br)cc1/C=C\c1ccc2ccccc2n1 ZINC000083327760 564063153 /nfs/dbraw/zinc/06/31/53/564063153.db2.gz NDJYIQKCWCPIPP-TWGQIWQCSA-N -1 3 326.193 4.873 50 0 EJAAHM O=C([O-])C1CCC(N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000263435849 564161699 /nfs/dbraw/zinc/16/16/99/564161699.db2.gz UPGSGDVACISVAY-PPUFBPAQSA-N -1 3 342.266 4.678 50 0 EJAAHM Cc1ccc([O-])c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 ZINC000004141867 210130847 /nfs/dbraw/zinc/13/08/47/210130847.db2.gz MKANBMATYGFUIG-UHFFFAOYSA-N -1 3 330.309 4.843 50 0 EJAAHM O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccccc2[O-])on1 ZINC000003908568 210091683 /nfs/dbraw/zinc/09/16/83/210091683.db2.gz FTYZVCCPTVZWEP-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccc(Cl)cc2)C1 ZINC000102753198 204048959 /nfs/dbraw/zinc/04/89/59/204048959.db2.gz KQKOGOMKIHFOPJ-AWEZNQCLSA-N -1 3 344.802 4.594 50 0 EJAAHM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)sc2cccc(F)c12 ZINC000014633265 211749019 /nfs/dbraw/zinc/74/90/19/211749019.db2.gz YGOYMXDSAKLPCA-UHFFFAOYSA-N -1 3 349.456 4.651 50 0 EJAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000011914913 211268664 /nfs/dbraw/zinc/26/86/64/211268664.db2.gz WVKIRGSIZVTQSK-UHFFFAOYSA-N -1 3 349.415 4.820 50 0 EJAAHM CC(C)(C)[C@@H]1CCc2c(sc3[n-]c(-c4cccs4)nc(=O)c23)C1 ZINC000011419581 211217095 /nfs/dbraw/zinc/21/70/95/211217095.db2.gz NPSOZJYHKMYEQH-SNVBAGLBSA-N -1 3 344.505 4.864 50 0 EJAAHM CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c([O-])c1 ZINC000009356807 211074331 /nfs/dbraw/zinc/07/43/31/211074331.db2.gz GPMYYCGNGWVSEF-UHFFFAOYSA-N -1 3 348.324 4.867 50 0 EJAAHM CCc1ccc2oc(-c3cc(NC(=O)C(C)C)cc(C)c3[O-])nc2c1 ZINC000004988498 210351698 /nfs/dbraw/zinc/35/16/98/210351698.db2.gz FNANLLKOCGUZEX-UHFFFAOYSA-N -1 3 338.407 4.666 50 0 EJAAHM Cc1csc([N-]C(=O)C(F)(F)F)c1-c1nc2ccccc2s1 ZINC000000118132 563232948 /nfs/dbraw/zinc/23/29/48/563232948.db2.gz SWRDCNYMEDNQMX-UHFFFAOYSA-N -1 3 342.367 4.834 50 0 EJAAHM CCCc1ccc(Oc2c[nH]nc2-c2ccc(OC)c(C)c2[O-])cc1 ZINC000000314970 563282435 /nfs/dbraw/zinc/28/24/35/563282435.db2.gz AZGNWYJFMWZNRK-UHFFFAOYSA-N -1 3 338.407 4.844 50 0 EJAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)c1 ZINC000000470175 563330759 /nfs/dbraw/zinc/33/07/59/563330759.db2.gz SRIZXZOGUCGQFO-UHFFFAOYSA-N -1 3 325.433 4.566 50 0 EJAAHM Cc1ccc(-n2c(N)c(-c3nc4ccccc4[n-]3)sc2=S)cc1 ZINC000001480007 563391029 /nfs/dbraw/zinc/39/10/29/563391029.db2.gz DPPJRDIDGHNQFK-UHFFFAOYSA-N -1 3 338.461 4.702 50 0 EJAAHM [O-]c1cc(O)ccc1-c1csc(-c2ccc(Br)cc2)n1 ZINC000014229043 563752772 /nfs/dbraw/zinc/75/27/72/563752772.db2.gz BZFPKDMMDHGBQK-UHFFFAOYSA-N -1 3 348.221 4.651 50 0 EJAAHM O=C([O-])c1cc(Nc2c3ccccc3nc3ccccc32)ccc1O ZINC000075253687 563996073 /nfs/dbraw/zinc/99/60/73/563996073.db2.gz PCSUXQYOFKBKLD-UHFFFAOYSA-N -1 3 330.343 4.535 50 0 EJAAHM [O-]c1ccccc1C1=N[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000061868522 564001704 /nfs/dbraw/zinc/00/17/04/564001704.db2.gz UJROPHQMKHBBEJ-KNQAVFIVSA-N -1 3 328.415 4.615 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2cccc3cccnc32)S1 ZINC000071284608 564110895 /nfs/dbraw/zinc/11/08/95/564110895.db2.gz CGBNMAYMFPMUPT-INIZCTEOSA-N -1 3 338.436 4.604 50 0 EJAAHM Cn1ncc([N-]c2nc3cc(C(F)(F)F)ccc3s2)c1C(F)F ZINC000089741049 564113503 /nfs/dbraw/zinc/11/35/03/564113503.db2.gz GSJDXCWNAJQFLO-UHFFFAOYSA-N -1 3 348.300 4.730 50 0 EJAAHM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000000401677 564118883 /nfs/dbraw/zinc/11/88/83/564118883.db2.gz DCHMTYGZNUWTJR-UHFFFAOYSA-N -1 3 331.586 4.996 50 0 EJAAHM O=C([N-]c1ccc(Cl)c2ncsc21)c1nc2ccccc2s1 ZINC000007598828 564118990 /nfs/dbraw/zinc/11/89/90/564118990.db2.gz QLRBNNYXOARTJK-UHFFFAOYSA-N -1 3 345.836 4.812 50 0 EJAAHM [O-]c1cc(O)ccc1-c1n[nH]cc1Oc1ccc(-c2ccccc2)cc1 ZINC000007943197 564135379 /nfs/dbraw/zinc/13/53/79/564135379.db2.gz MYZMXCNHMAUYHZ-UHFFFAOYSA-N -1 3 344.370 4.947 50 0 EJAAHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000058429921 564159113 /nfs/dbraw/zinc/15/91/13/564159113.db2.gz MAFIZSPYUJZEIH-UHFFFAOYSA-N -1 3 348.446 4.510 50 0 EJAAHM C[C@H](Nc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009468863 564173840 /nfs/dbraw/zinc/17/38/40/564173840.db2.gz VZXMYHVQMBNJPV-ZDUSSCGKSA-N -1 3 347.443 4.825 50 0 EJAAHM [O-]c1ccc(F)cc1-c1ccnc2cc(-c3ccc(Cl)cc3)nn21 ZINC000021729266 564177318 /nfs/dbraw/zinc/17/73/18/564177318.db2.gz OWVNCFSAVHEHQG-UHFFFAOYSA-N -1 3 339.757 4.561 50 0 EJAAHM CC(C)(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000004071242 210113444 /nfs/dbraw/zinc/11/34/44/210113444.db2.gz YNSUBNJKGLTLLL-UHFFFAOYSA-N -1 3 326.421 4.654 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCC2)[C@@H](Cc2ccccc2)S1 ZINC000071285377 203089970 /nfs/dbraw/zinc/08/99/70/203089970.db2.gz NFWWAZLDTWYUFG-OAHLLOKOSA-N -1 3 327.453 4.784 50 0 EJAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000011914369 211268345 /nfs/dbraw/zinc/26/83/45/211268345.db2.gz ZENGEKIRTGHBNF-UHFFFAOYSA-N -1 3 341.417 4.574 50 0 EJAAHM Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000011814956 211249118 /nfs/dbraw/zinc/24/91/18/211249118.db2.gz SYXFLAFOSAZFMP-AWEZNQCLSA-N -1 3 349.883 4.510 50 0 EJAAHM Cc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccc3)n2)o1 ZINC000005059480 210378176 /nfs/dbraw/zinc/37/81/76/210378176.db2.gz OFDHAJPRXHFCMB-BUHFOSPRSA-N -1 3 343.386 4.712 50 0 EJAAHM COc1cc(Cl)c(/C=C/c2ccc3cccc([O-])c3n2)cc1OC ZINC000004845184 210297186 /nfs/dbraw/zinc/29/71/86/210297186.db2.gz RJUDGIRMFSJCJY-VQHVLOKHSA-N -1 3 341.794 4.781 50 0 EJAAHM [O-]c1cc(O)ccc1-c1csc(-c2cccc(Br)c2)n1 ZINC000014229063 563752735 /nfs/dbraw/zinc/75/27/35/563752735.db2.gz VBNDADLXTFMJQM-UHFFFAOYSA-N -1 3 348.221 4.651 50 0 EJAAHM CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)o2)c([O-])c1 ZINC000005954056 563866445 /nfs/dbraw/zinc/86/64/45/563866445.db2.gz PSFYQHWDFXWPKJ-VIFPVBQESA-N -1 3 338.201 4.514 50 0 EJAAHM Cc1nc(C(=O)[N-]c2cccc(Cl)c2Cl)c(C(F)(F)F)o1 ZINC000000077853 563217864 /nfs/dbraw/zinc/21/78/64/563217864.db2.gz MLHYLZRLVYSZDH-UHFFFAOYSA-N -1 3 339.100 4.561 50 0 EJAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccco1 ZINC000000135781 563240508 /nfs/dbraw/zinc/24/05/08/563240508.db2.gz NXBBGLMSPOEUIU-UHFFFAOYSA-N -1 3 336.372 4.514 50 0 EJAAHM CCc1cccc([C@H](C)CC)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000139427 563241499 /nfs/dbraw/zinc/24/14/99/563241499.db2.gz MXUJHFBSUNLXKE-OAHLLOKOSA-N -1 3 331.481 4.872 50 0 EJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000000365381 563296205 /nfs/dbraw/zinc/29/62/05/563296205.db2.gz VPNIDAYLVLLCDJ-UHFFFAOYSA-N -1 3 337.872 4.747 50 0 EJAAHM [O-]c1ccc(Br)c(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000004755178 563510473 /nfs/dbraw/zinc/51/04/73/563510473.db2.gz MGJMCDYBWOPNOA-FNORWQNLSA-N -1 3 342.192 4.579 50 0 EJAAHM COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[n-]c2=S ZINC000005895892 563553353 /nfs/dbraw/zinc/55/33/53/563553353.db2.gz QBDZGLOGVAKLBQ-UHFFFAOYSA-N -1 3 333.416 4.759 50 0 EJAAHM COc1ccc(-c2cc(-c3ccc4ccccc4c3[O-])n[nH]2)cc1OC ZINC000006493634 563570050 /nfs/dbraw/zinc/57/00/50/563570050.db2.gz ICXLGEZBHYTHDQ-UHFFFAOYSA-N -1 3 346.386 4.620 50 0 EJAAHM Cc1cccc(NCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000008715532 563637323 /nfs/dbraw/zinc/63/73/23/563637323.db2.gz MFFCKBRVPRAFRA-UHFFFAOYSA-N -1 3 347.443 4.572 50 0 EJAAHM [O-]c1ccc(Cl)cc1-c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000013130421 563689990 /nfs/dbraw/zinc/68/99/90/563689990.db2.gz HBIWZNFOGCRLEA-UHFFFAOYSA-N -1 3 349.615 4.865 50 0 EJAAHM CCCc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)c(C)c2[O-])cc1 ZINC000018068748 563847907 /nfs/dbraw/zinc/84/79/07/563847907.db2.gz BONHWABVHFBUKR-UHFFFAOYSA-N -1 3 338.407 4.850 50 0 EJAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc(O)cc2)S1 ZINC000071285089 563915866 /nfs/dbraw/zinc/91/58/66/563915866.db2.gz PQDVMMYRHNANKD-INIZCTEOSA-N -1 3 343.452 4.686 50 0 EJAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000011914917 563995473 /nfs/dbraw/zinc/99/54/73/563995473.db2.gz AWXDWKDWQUYFPB-UHFFFAOYSA-N -1 3 335.388 4.512 50 0 EJAAHM O=c1nc(CSC2CCCC2)[n-]c2scc(-c3ccccc3)c21 ZINC000005175207 563999978 /nfs/dbraw/zinc/99/99/78/563999978.db2.gz JUGKOCHLYWODGJ-UHFFFAOYSA-N -1 3 342.489 4.827 50 0 EJAAHM [O-]c1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1Br ZINC000083326616 564063134 /nfs/dbraw/zinc/06/31/34/564063134.db2.gz LYRHKHXPDLTBIP-DAXSKMNVSA-N -1 3 342.192 4.579 50 0 EJAAHM CCc1ccccc1N(C)C(=O)c1[n-]nc2c1CSc1ccccc1-2 ZINC000006748606 564097107 /nfs/dbraw/zinc/09/71/07/564097107.db2.gz NBXWEKVGQAFUBJ-UHFFFAOYSA-N -1 3 349.459 4.521 50 0 EJAAHM CCc1ccccc1N(C)C(=O)c1n[n-]c2c1CSc1ccccc1-2 ZINC000006748606 564097108 /nfs/dbraw/zinc/09/71/08/564097108.db2.gz NBXWEKVGQAFUBJ-UHFFFAOYSA-N -1 3 349.459 4.521 50 0 EJAAHM O=C(Nc1cccc(Cl)c1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000014207615 564112333 /nfs/dbraw/zinc/11/23/33/564112333.db2.gz SRKJADFVZPCAAV-UHFFFAOYSA-N -1 3 332.190 4.636 50 0 EJAAHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Cl)c1OC ZINC000004140900 210130513 /nfs/dbraw/zinc/13/05/13/210130513.db2.gz CUYDOFQSBSMKIM-SOFGYWHQSA-N -1 3 341.794 4.781 50 0 EJAAHM CSc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000071284693 203089928 /nfs/dbraw/zinc/08/99/28/203089928.db2.gz XUIKUPPABIETKU-CQSZACIVSA-N -1 3 333.482 4.778 50 0 EJAAHM CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCCC1 ZINC000079482420 217231153 /nfs/dbraw/zinc/23/11/53/217231153.db2.gz KEUBYDAFEYDBCY-OAHLLOKOSA-N -1 3 337.489 4.906 50 0 EJAAHM Cc1ccc(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC000008837793 211009203 /nfs/dbraw/zinc/00/92/03/211009203.db2.gz WSGGSXDUYWFENC-UHFFFAOYSA-N -1 3 334.419 4.619 50 0 EJAAHM Cc1cc2nc(-c3cc(NC(=O)C(C)C)cc(C)c3[O-])oc2c(C)c1 ZINC000004988497 210350764 /nfs/dbraw/zinc/35/07/64/210350764.db2.gz NDNSYSKYJKYBIF-UHFFFAOYSA-N -1 3 338.407 4.720 50 0 EJAAHM [O-]c1cccc2ccc(/C=C/c3cc(Br)ccc3O)nc12 ZINC000004755072 210271985 /nfs/dbraw/zinc/27/19/85/210271985.db2.gz NCVAOVKSTBAPPO-VMPITWQZSA-N -1 3 342.192 4.579 50 0 EJAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C ZINC000001109873 563375155 /nfs/dbraw/zinc/37/51/55/563375155.db2.gz NBRBRHXXFDWHMJ-UHFFFAOYSA-N -1 3 341.835 4.514 50 0 EJAAHM CCCCCc1c(C)nc(Nc2cc(Cl)cc(Cl)c2)[n-]c1=O ZINC000002454383 563432731 /nfs/dbraw/zinc/43/27/31/563432731.db2.gz ADQLOCWREZZOPK-UHFFFAOYSA-N -1 3 340.254 4.861 50 0 EJAAHM CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c([O-])cc1OC ZINC000013126511 563689577 /nfs/dbraw/zinc/68/95/77/563689577.db2.gz LIMUREPZIPKNLD-UHFFFAOYSA-N -1 3 342.826 4.982 50 0 EJAAHM [O-]/N=c1/oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCC2 ZINC000013690380 563712271 /nfs/dbraw/zinc/71/22/71/563712271.db2.gz TXCVCBYAOAJNSZ-LSDHQDQOSA-N -1 3 335.334 4.764 50 0 EJAAHM O=C(Nc1ccccc1[O-])c1ccc(C2SCCCS2)cc1 ZINC000016483074 563812730 /nfs/dbraw/zinc/81/27/30/563812730.db2.gz SZTWJGSWRSMPOZ-UHFFFAOYSA-N -1 3 331.462 4.513 50 0 EJAAHM Cc1c(C(=O)[N-]c2nonc2-c2ccccc2)oc2cc(C)cc(C)c12 ZINC000027663412 563898384 /nfs/dbraw/zinc/89/83/84/563898384.db2.gz KITIUHAFVLYVPD-UHFFFAOYSA-N -1 3 347.374 4.660 50 0 EJAAHM [O-]c1ccccc1-c1cc(-c2ccccc2O)nc(-c2ccccc2)n1 ZINC000003075246 563918771 /nfs/dbraw/zinc/91/87/71/563918771.db2.gz IOGNJAKULBEEEN-UHFFFAOYSA-N -1 3 340.382 4.889 50 0 EJAAHM COc1cc(-c2c(-c3ccccc3)ncn2CCF)cc(Cl)c1[O-] ZINC000065470513 563961414 /nfs/dbraw/zinc/96/14/14/563961414.db2.gz STUVQFINLZBJDW-UHFFFAOYSA-N -1 3 346.789 4.554 50 0 EJAAHM Cc1ccc2oc(-c3cc(NCc4ccncc4)ccc3[O-])nc2c1 ZINC000075279306 564081428 /nfs/dbraw/zinc/08/14/28/564081428.db2.gz IWTKDEBLDULFOE-UHFFFAOYSA-N -1 3 331.375 4.516 50 0 EJAAHM CC(C)N(Cc1ccccc1)Cn1nc(-c2cccs2)[n-]c1=S ZINC000012972972 564084866 /nfs/dbraw/zinc/08/48/66/564084866.db2.gz YVBJVYZASBABQT-UHFFFAOYSA-N -1 3 344.509 4.537 50 0 EJAAHM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(Cl)s1 ZINC000004135311 210129777 /nfs/dbraw/zinc/12/97/77/210129777.db2.gz NBNJHGPDIATXQQ-UHFFFAOYSA-N -1 3 349.795 4.577 50 0 EJAAHM Cc1ccc(-c2nnc([N-]C(=O)c3c(F)cccc3Cl)s2)cc1 ZINC000004079019 210114165 /nfs/dbraw/zinc/11/41/65/210114165.db2.gz LQRXKQJPEGTNJL-UHFFFAOYSA-N -1 3 347.802 4.558 50 0 EJAAHM CSc1ccccc1[N-]C(=O)c1ccc(COc2ccccc2)o1 ZINC000023655302 212388644 /nfs/dbraw/zinc/38/86/44/212388644.db2.gz KRSVYYAGIWJNMC-UHFFFAOYSA-N -1 3 339.416 4.833 50 0 EJAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(-c2ccccc2Cl)o1 ZINC000023293272 212366700 /nfs/dbraw/zinc/36/67/00/212366700.db2.gz SKZMSVSAPSHQKS-UHFFFAOYSA-N -1 3 345.811 4.581 50 0 EJAAHM Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[n-]2)cc1 ZINC000021883815 212258725 /nfs/dbraw/zinc/25/87/25/212258725.db2.gz RPGCDLOGFZMKBP-UHFFFAOYSA-N -1 3 347.443 4.519 50 0 EJAAHM O=C(Nc1ccccc1[O-])[C@@H](Sc1ccccc1)c1ccccc1 ZINC000021866434 212257467 /nfs/dbraw/zinc/25/74/67/212257467.db2.gz WXPRYIGZIKMCPT-IBGZPJMESA-N -1 3 335.428 4.864 50 0 EJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000005260162 201644647 /nfs/dbraw/zinc/64/46/47/201644647.db2.gz ZPMHSIDPGHJHKI-UHFFFAOYSA-N -1 3 339.416 4.588 50 0 EJAAHM O=C([N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccno1 ZINC000010253831 211156906 /nfs/dbraw/zinc/15/69/06/211156906.db2.gz HCCXUAUBMWSCOT-UHFFFAOYSA-N -1 3 347.399 4.717 50 0 EJAAHM Cc1cc(NC(=O)C(C)C)cc(-c2nc3ccccc3s2)c1[O-] ZINC000004988494 210351898 /nfs/dbraw/zinc/35/18/98/210351898.db2.gz YZNUFDKNZSWSQS-UHFFFAOYSA-N -1 3 326.421 4.572 50 0 EJAAHM O=C([N-]C(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000000171688 563251496 /nfs/dbraw/zinc/25/14/96/563251496.db2.gz PNTSRRFLKISDEA-UHFFFAOYSA-N -1 3 341.819 4.639 50 0 EJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccccc3)cc2)cc1 ZINC000000241320 563265052 /nfs/dbraw/zinc/26/50/52/563265052.db2.gz KEZPMZSDLBJCHH-UHFFFAOYSA-N -1 3 338.432 4.539 50 0 EJAAHM CCc1cc(C(=O)COc2ccc(-c3ccccc3)cc2)c(O)cc1[O-] ZINC000000308158 563278786 /nfs/dbraw/zinc/27/87/86/563278786.db2.gz TUCIJRYGMPIFPE-UHFFFAOYSA-N -1 3 348.398 4.589 50 0 EJAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000000318734 563283659 /nfs/dbraw/zinc/28/36/59/563283659.db2.gz XANGYKWDAZIBGN-UHFFFAOYSA-N -1 3 325.433 4.566 50 0 EJAAHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000002888866 563462085 /nfs/dbraw/zinc/46/20/85/563462085.db2.gz PUNBPXUXYAFWGX-UHFFFAOYSA-N -1 3 348.276 4.516 50 0 EJAAHM O=C(Nc1ccccc1C(F)(F)F)c1cc(=S)[n-]c2ccccc21 ZINC000003226852 563477592 /nfs/dbraw/zinc/47/75/92/563477592.db2.gz ULKAJGWDCABEST-UHFFFAOYSA-N -1 3 348.349 4.795 50 0 EJAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2cccc(Cl)c2)on1 ZINC000003908264 563491342 /nfs/dbraw/zinc/49/13/42/563491342.db2.gz JGQZLVVSXDUMEN-UHFFFAOYSA-N -1 3 349.173 4.606 50 0 EJAAHM CCCc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)s1 ZINC000032719486 563704795 /nfs/dbraw/zinc/70/47/95/563704795.db2.gz YKKRSWOOXXGZHH-UHFFFAOYSA-N -1 3 347.440 4.611 50 0 EJAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccccc4s3)no2)cc1C ZINC000027990110 563900872 /nfs/dbraw/zinc/90/08/72/563900872.db2.gz HEJVJLKLVLESRC-UHFFFAOYSA-N -1 3 349.415 4.820 50 0 EJAAHM Cc1ccc(-c2cnoc2[N-]C(=O)CSC2CCCCC2)cc1 ZINC000032984871 563920627 /nfs/dbraw/zinc/92/06/27/563920627.db2.gz AZEXEDABBNHDLT-UHFFFAOYSA-N -1 3 330.453 4.654 50 0 EJAAHM [O-]c1ccccc1C1=N[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000061868519 564001679 /nfs/dbraw/zinc/00/16/79/564001679.db2.gz UJROPHQMKHBBEJ-SIKLNZKXSA-N -1 3 328.415 4.615 50 0 EJAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000007053356 564103913 /nfs/dbraw/zinc/10/39/13/564103913.db2.gz FAWMVNQXPRYDSI-AWEZNQCLSA-N -1 3 331.481 4.926 50 0 EJAAHM [O-]c1cc(O)ccc1-c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000089793852 564113847 /nfs/dbraw/zinc/11/38/47/564113847.db2.gz SINVFWYIIAHANM-UHFFFAOYSA-N -1 3 337.322 4.907 50 0 EJAAHM CC(C)c1sc(Cl)nc1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000095478880 564141518 /nfs/dbraw/zinc/14/15/18/564141518.db2.gz CTFZNFXHQVDTFP-UHFFFAOYSA-N -1 3 334.750 4.590 50 0 EJAAHM CCOC(=O)c1sc([N-]c2nc3c(cccc3OC)s2)cc1C ZINC000004137639 564160881 /nfs/dbraw/zinc/16/08/81/564160881.db2.gz VWPXFTDGVDDMAU-UHFFFAOYSA-N -1 3 348.449 4.595 50 0 EJAAHM C[C@@H](Nc1ccccc1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009468864 564173817 /nfs/dbraw/zinc/17/38/17/564173817.db2.gz VZXMYHVQMBNJPV-CYBMUJFWSA-N -1 3 347.443 4.825 50 0 EJAAHM