smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccccc1CSc1cccc2cccnc21 ZINC000000036131 534652253 /nfs/dbraw/zinc/65/22/53/534652253.db2.gz PIOXPCGTWGQIDL-UHFFFAOYSA-N 0 0 285.799 5.181 40 0 CKABRN C=Cc1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000000048933 169517219 /nfs/dbraw/zinc/51/72/19/169517219.db2.gz JZJXEPNQMCFBIS-UHFFFAOYSA-N 0 0 278.380 5.197 40 0 CKABRN Clc1ccc(Cl)c(OCc2ccccc2Cl)c1 ZINC000000095248 169534203 /nfs/dbraw/zinc/53/42/03/169534203.db2.gz SRSOPCVEFMKYCS-UHFFFAOYSA-N 0 0 287.573 5.226 40 0 CKABRN Clc1ccc(-c2ccccc2)nc1-c1ccccc1 ZINC000000105233 567074906 /nfs/dbraw/zinc/07/49/06/567074906.db2.gz OYXBFZPDWAYEGQ-UHFFFAOYSA-N 0 0 265.743 5.069 40 0 CKABRN Cc1sc(Nc2ccccc2F)nc1-c1ccccc1 ZINC000000105816 567935490 /nfs/dbraw/zinc/93/54/90/567935490.db2.gz FHBFUQVBXBZFHG-UHFFFAOYSA-N 0 0 284.359 5.001 40 0 CKABRN Cc1ccc(N(c2ccc(C)cc2)c2cccnc2)cc1 ZINC000000113051 567929444 /nfs/dbraw/zinc/92/94/44/567929444.db2.gz UTHGCYCALQEENM-UHFFFAOYSA-N 0 0 274.367 5.168 40 0 CKABRN c1sc(SCc2ccccc2)nc1-c1ccccc1 ZINC000000150882 169555735 /nfs/dbraw/zinc/55/57/35/169555735.db2.gz AZMIOEUPQDHRPA-UHFFFAOYSA-N 0 0 283.421 5.102 40 0 CKABRN Cc1cc(C)c(-c2csc(Nc3ccccc3)n2)c(C)c1 ZINC000000192090 567929751 /nfs/dbraw/zinc/92/97/51/567929751.db2.gz MTOMHAGSNZECTH-UHFFFAOYSA-N 0 0 294.423 5.479 40 0 CKABRN Cc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000000240314 169583739 /nfs/dbraw/zinc/58/37/39/169583739.db2.gz FZUHDUGIQBIRHG-UHFFFAOYSA-N 0 0 292.382 5.010 40 0 CKABRN FC(F)(F)Sc1ccc2noc(-c3ccccc3)c2c1 ZINC000000244995 567929436 /nfs/dbraw/zinc/92/94/36/567929436.db2.gz QBYJFHMBXHHGFX-UHFFFAOYSA-N 0 0 295.285 5.107 40 0 CKABRN Clc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000000257951 567047262 /nfs/dbraw/zinc/04/72/62/567047262.db2.gz GBAKYKWLMZDSRW-UHFFFAOYSA-N 0 0 295.194 5.347 40 0 CKABRN CC(C)(C)c1cc(C(C)(C)C)c(NC=O)c(C(C)(C)C)c1 ZINC000000295619 169600271 /nfs/dbraw/zinc/60/02/71/169600271.db2.gz KMOJLYKPQPTQRI-UHFFFAOYSA-N 0 0 289.463 5.147 40 0 CKABRN C(=C1/SC=C(c2ccccc2)S1)\c1ccccc1 ZINC000000297052 567824260 /nfs/dbraw/zinc/82/42/60/567824260.db2.gz YFUMLIHULJCSOF-WJDWOHSUSA-N 0 0 268.406 5.464 40 0 CKABRN S=c1cc(-c2ccccc2)cc(-c2ccccc2)[nH]1 ZINC000000298245 567929548 /nfs/dbraw/zinc/92/95/48/567929548.db2.gz ZQDFKWDIQLVQCN-UHFFFAOYSA-N 0 0 263.365 5.078 40 0 CKABRN Cc1ccc(C)c(Cc2cc(Cl)ccc2Cl)c1 ZINC000000315109 567926900 /nfs/dbraw/zinc/92/69/00/567926900.db2.gz YTTQNNYOTAGSIJ-UHFFFAOYSA-N 0 0 265.183 5.201 40 0 CKABRN Clc1ccc(-n2c3ccccc3c3c2CCCC3)cc1 ZINC000000325050 567929545 /nfs/dbraw/zinc/92/95/45/567929545.db2.gz GSRWYCNDIKDQCA-UHFFFAOYSA-N 0 0 281.786 5.163 40 0 CKABRN CC(=O)c1cc(-c2ccccc2)c(-c2ccc(F)cc2)s1 ZINC000000333926 169609739 /nfs/dbraw/zinc/60/97/39/169609739.db2.gz WDNUPLCGGDLKOR-UHFFFAOYSA-N 0 0 296.366 5.424 40 0 CKABRN CCN(C=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000000358064 567929654 /nfs/dbraw/zinc/92/96/54/567929654.db2.gz FNIPWWGPKKQYNX-UHFFFAOYSA-N 0 0 275.436 5.040 40 0 CKABRN Cc1cc(C)c(Oc2ccc(Br)cc2)c(C)c1 ZINC000000361506 567929795 /nfs/dbraw/zinc/92/97/95/567929795.db2.gz ZDEWLOIQQJDIMB-UHFFFAOYSA-N 0 0 291.188 5.167 40 0 CKABRN Cc1c(C(C)C)cc(C(C)C)cc1C1O[C@H](C)[C@H](C)O1 ZINC000000392614 567828758 /nfs/dbraw/zinc/82/87/58/567828758.db2.gz XNWWGQRTIVXFKO-UUVAVEHKSA-N 0 0 276.420 5.064 40 0 CKABRN Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000405704 169632101 /nfs/dbraw/zinc/63/21/01/169632101.db2.gz QJPADRJMNIGLJF-UHFFFAOYSA-N 0 0 268.743 5.575 40 0 CKABRN Cc1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000408560 567931248 /nfs/dbraw/zinc/93/12/48/567931248.db2.gz BPNQWBMUKAUKIW-UHFFFAOYSA-N 0 0 280.396 5.171 40 0 CKABRN Fc1ccc(NCc2cccc3ccccc32)cc1Cl ZINC000000485011 567936215 /nfs/dbraw/zinc/93/62/15/567936215.db2.gz XUOXOFPWEREORO-UHFFFAOYSA-N 0 0 285.749 5.244 40 0 CKABRN CC[C@@H](C)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000505923 169658472 /nfs/dbraw/zinc/65/84/72/169658472.db2.gz VMYAQHHJQHFFTB-OAHLLOKOSA-N 0 0 281.399 5.069 40 0 CKABRN CC[C@H](C)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000505924 169658534 /nfs/dbraw/zinc/65/85/34/169658534.db2.gz VMYAQHHJQHFFTB-HNNXBMFYSA-N 0 0 281.399 5.069 40 0 CKABRN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000000557892 567833682 /nfs/dbraw/zinc/83/36/82/567833682.db2.gz KZDOBHAYRINLLL-CQSZACIVSA-N 0 0 281.399 5.069 40 0 CKABRN CC[C@H](C)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000000557893 567833753 /nfs/dbraw/zinc/83/37/53/567833753.db2.gz KZDOBHAYRINLLL-AWEZNQCLSA-N 0 0 281.399 5.069 40 0 CKABRN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(C)cc1C ZINC000000557894 567833758 /nfs/dbraw/zinc/83/37/58/567833758.db2.gz OJKIYEJQMFXESO-CQSZACIVSA-N 0 0 281.399 5.069 40 0 CKABRN CC[C@H](C)c1ccccc1NC(=O)c1ccc(C)cc1C ZINC000000557895 169668036 /nfs/dbraw/zinc/66/80/36/169668036.db2.gz OJKIYEJQMFXESO-AWEZNQCLSA-N 0 0 281.399 5.069 40 0 CKABRN Cc1cc2c(cc1C)CN(c1cc(Cl)cc(Cl)c1)C2 ZINC000000559661 566927412 /nfs/dbraw/zinc/92/74/12/566927412.db2.gz GANDOXZLLKLAQB-UHFFFAOYSA-N 0 0 292.209 5.130 40 0 CKABRN Cc1cc2c(cc1C)CN(c1ccc(Cl)c(Cl)c1)C2 ZINC000000559666 566927417 /nfs/dbraw/zinc/92/74/17/566927417.db2.gz XJLHZDWOTSYQTO-UHFFFAOYSA-N 0 0 292.209 5.130 40 0 CKABRN Cc1cc2c(cc1C)CN(c1ccc(Cl)cc1Cl)C2 ZINC000000559671 566927486 /nfs/dbraw/zinc/92/74/86/566927486.db2.gz PWQNZOWMIKQMNM-UHFFFAOYSA-N 0 0 292.209 5.130 40 0 CKABRN Cc1cc2c(cc1C)CN(c1cc(Cl)ccc1Cl)C2 ZINC000000559674 566928634 /nfs/dbraw/zinc/92/86/34/566928634.db2.gz ANGDBLXAKSMFQC-UHFFFAOYSA-N 0 0 292.209 5.130 40 0 CKABRN Cc1cc2c(cc1C)CN(c1cccc(Cl)c1Cl)C2 ZINC000000559675 566927781 /nfs/dbraw/zinc/92/77/81/566927781.db2.gz QGBATSUVCMFKGN-UHFFFAOYSA-N 0 0 292.209 5.130 40 0 CKABRN CCC[C@@H](C)c1ccc2oc(-c3ccc(C)c(N)c3)nc2c1 ZINC000000570187 567936453 /nfs/dbraw/zinc/93/64/53/567936453.db2.gz KTSSUWRMIHIJDH-GFCCVEGCSA-N 0 0 294.398 5.289 40 0 CKABRN CCC[C@H](C)c1ccc2oc(-c3ccc(C)c(N)c3)nc2c1 ZINC000000570188 169670053 /nfs/dbraw/zinc/67/00/53/169670053.db2.gz KTSSUWRMIHIJDH-LBPRGKRZSA-N 0 0 294.398 5.289 40 0 CKABRN CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000000575311 169671571 /nfs/dbraw/zinc/67/15/71/169671571.db2.gz MYYOIQLGAFFNGL-UHFFFAOYSA-N 0 0 296.197 5.004 40 0 CKABRN Clc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000000576239 567834091 /nfs/dbraw/zinc/83/40/91/567834091.db2.gz OILFGJQNCFDONI-UHFFFAOYSA-N 0 0 286.589 5.259 40 0 CKABRN CSC(=S)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001022323 333003242 /nfs/dbraw/zinc/00/32/42/333003242.db2.gz DQAKTCUYXCMOIP-UHFFFAOYSA-N 0 0 296.501 5.026 40 0 CKABRN Cc1cc(C(C)(C)C)c(O)cc1[C@@H](C)c1ccccc1 ZINC000001085201 326793310 /nfs/dbraw/zinc/79/33/10/326793310.db2.gz WCZIPJVRYOJVOG-AWEZNQCLSA-N 0 0 268.400 5.150 40 0 CKABRN Cc1cc(C(C)(C)C)c(O)cc1[C@H](C)c1ccccc1 ZINC000001085202 570274379 /nfs/dbraw/zinc/27/43/79/570274379.db2.gz WCZIPJVRYOJVOG-CQSZACIVSA-N 0 0 268.400 5.150 40 0 CKABRN CC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O ZINC000001086603 570274303 /nfs/dbraw/zinc/27/43/03/570274303.db2.gz UYHCLPYFSWPVDZ-UHFFFAOYSA-N 0 0 268.400 5.016 40 0 CKABRN Cc1cc([C@@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000001086607 570274415 /nfs/dbraw/zinc/27/44/15/570274415.db2.gz KYWXWCOPNNMDMN-AWEZNQCLSA-N 0 0 268.400 5.150 40 0 CKABRN Cc1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000001086608 570274371 /nfs/dbraw/zinc/27/43/71/570274371.db2.gz KYWXWCOPNNMDMN-CQSZACIVSA-N 0 0 268.400 5.150 40 0 CKABRN Cc1ccc2c(c1)[C@H]1CCC(C)(C)C3=CC(C)(C)[C@@H](N2)[C@]31C ZINC000001280585 567931962 /nfs/dbraw/zinc/93/19/62/567931962.db2.gz RHSCLTRBUNHRHG-FPDPHYFHSA-N 0 0 295.470 5.665 40 0 CKABRN Cc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)c(O)c([C@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000001433941 567837137 /nfs/dbraw/zinc/83/71/37/567837137.db2.gz AXOHAQBXUBUNOQ-XFZGEKFBSA-N 0 0 296.454 5.508 40 0 CKABRN c1c2ccccc2[nH]c1-c1ccc(-c2ccccc2)cc1 ZINC000001519040 169711657 /nfs/dbraw/zinc/71/16/57/169711657.db2.gz IZQXDFSSLHWRBK-UHFFFAOYSA-N 0 0 269.347 5.502 40 0 CKABRN Clc1cc2cc(-c3ccccc3)[nH]c2c(Cl)c1 ZINC000001555406 567838046 /nfs/dbraw/zinc/83/80/46/567838046.db2.gz WMIDZSJJZVLDQI-UHFFFAOYSA-N 0 0 262.139 5.142 40 0 CKABRN CCCC[C@H](/C=C/c1ccc2ccccc2n1)CC ZINC000001555494 567838037 /nfs/dbraw/zinc/83/80/37/567838037.db2.gz BSFNHJSMFAEMEH-HFBDAHEESA-N 0 0 253.389 5.464 40 0 CKABRN CCCC[C@@H](/C=C/c1ccc2ccccc2n1)CC ZINC000001555496 169712705 /nfs/dbraw/zinc/71/27/05/169712705.db2.gz BSFNHJSMFAEMEH-FQNOHDAGSA-N 0 0 253.389 5.464 40 0 CKABRN c1ccc2c(c1)ccc1c2Cc2c(ccc3ccccc32)O1 ZINC000001557363 169713545 /nfs/dbraw/zinc/71/35/45/169713545.db2.gz YJXKFHUWKMZHHW-UHFFFAOYSA-N 0 0 282.342 5.690 40 0 CKABRN CC1=CC(C)(C)Nc2ccc(CSc3ccccc3)cc21 ZINC000001558165 567838101 /nfs/dbraw/zinc/83/81/01/567838101.db2.gz FJCXJDYIKMDJRN-UHFFFAOYSA-N 0 0 295.451 5.586 40 0 in-vitro CKABRN O=C(Nc1cccc(Cl)c1)Oc1ccc2ccccc2c1 ZINC000001560259 567838036 /nfs/dbraw/zinc/83/80/36/567838036.db2.gz KBPMFZUVCNYJKL-UHFFFAOYSA-N 0 0 297.741 5.104 40 0 CKABRN Cc1cc(-c2ccccc2)c(-c2ccccn2)c2ccccc12 ZINC000001564561 567837889 /nfs/dbraw/zinc/83/78/89/567837889.db2.gz CSXJVTNWJJSNEN-UHFFFAOYSA-N 0 0 295.385 5.877 40 0 CKABRN CCCCCCC1(/C=C/c2ccccc2Cl)OCCO1 ZINC000001565031 567838045 /nfs/dbraw/zinc/83/80/45/567838045.db2.gz QGKVIMQRLAJVJU-ZRDIBKRKSA-N 0 0 294.822 5.067 40 0 CKABRN ClC1=C(Cl)C(=C2CCCC2)C(Cl)=C1Cl ZINC000001566021 567837883 /nfs/dbraw/zinc/83/78/83/567837883.db2.gz LJEBHFNJHCEIIN-UHFFFAOYSA-N 0 0 269.986 5.249 40 0 CKABRN CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC)cc1 ZINC000001566832 567837872 /nfs/dbraw/zinc/83/78/72/567837872.db2.gz ITRDPYNINWIWLM-OALUTQOASA-N 0 0 284.399 5.088 40 0 CKABRN CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)cc1 ZINC000001566833 567838120 /nfs/dbraw/zinc/83/81/20/567838120.db2.gz ITRDPYNINWIWLM-MOPGFXCFSA-N 0 0 284.399 5.088 40 0 in-vitro CKABRN CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(OC)cc1 ZINC000001566835 567838122 /nfs/dbraw/zinc/83/81/22/567838122.db2.gz ITRDPYNINWIWLM-RTBURBONSA-N 0 0 284.399 5.088 40 0 CKABRN CCCC1(CCC)c2ccccc2C(=O)c2ccccc21 ZINC000001570048 567838076 /nfs/dbraw/zinc/83/80/76/567838076.db2.gz QUJATLONCUEBBQ-UHFFFAOYSA-N 0 0 278.395 5.117 40 0 CKABRN CCCC[C@@H](C)C(=O)C[C@H](SCC)c1ccccc1 ZINC000001570339 567838125 /nfs/dbraw/zinc/83/81/25/567838125.db2.gz NXDXTCXOKJTATK-PBHICJAKSA-N 0 0 278.461 5.266 40 0 CKABRN CCCC[C@H](C)C(=O)C[C@H](SCC)c1ccccc1 ZINC000001570340 567838099 /nfs/dbraw/zinc/83/80/99/567838099.db2.gz NXDXTCXOKJTATK-YOEHRIQHSA-N 0 0 278.461 5.266 40 0 CKABRN CCCC[C@@H](C)C(=O)C[C@@H](SCC)c1ccccc1 ZINC000001570341 567837994 /nfs/dbraw/zinc/83/79/94/567837994.db2.gz NXDXTCXOKJTATK-RHSMWYFYSA-N 0 0 278.461 5.266 40 0 CKABRN CCCC[C@H](C)C(=O)C[C@@H](SCC)c1ccccc1 ZINC000001570342 567838247 /nfs/dbraw/zinc/83/82/47/567838247.db2.gz NXDXTCXOKJTATK-WMLDXEAASA-N 0 0 278.461 5.266 40 0 CKABRN COC(=O)CCCCCCCCCC[C@H]1C=CCC1 ZINC000001570662 567838460 /nfs/dbraw/zinc/83/84/60/567838460.db2.gz MVZDVUQOJAOLAW-INIZCTEOSA-N 0 0 266.425 5.027 40 0 CKABRN CCCC[C@@H](CC)CC[C@@H](C)OC(=O)C(CC)CC ZINC000001570938 567838304 /nfs/dbraw/zinc/83/83/04/567838304.db2.gz VEGMYPBDNNIYGI-HUUCEWRRSA-N 0 0 270.457 5.351 40 0 CKABRN CCCC[C@H](CC)CC[C@@H](C)OC(=O)C(CC)CC ZINC000001570939 567838341 /nfs/dbraw/zinc/83/83/41/567838341.db2.gz VEGMYPBDNNIYGI-CABCVRRESA-N 0 0 270.457 5.351 40 0 CKABRN CCCC[C@@H](CC)CC[C@H](C)OC(=O)C(CC)CC ZINC000001570940 567838389 /nfs/dbraw/zinc/83/83/89/567838389.db2.gz VEGMYPBDNNIYGI-LSDHHAIUSA-N 0 0 270.457 5.351 40 0 CKABRN CCCC[C@H](CC)CC[C@H](C)OC(=O)C(CC)CC ZINC000001570941 567838393 /nfs/dbraw/zinc/83/83/93/567838393.db2.gz VEGMYPBDNNIYGI-GJZGRUSLSA-N 0 0 270.457 5.351 40 0 CKABRN CCCC[C@H](CC)COC(=O)c1ccc(C(C)C)cc1 ZINC000001570943 567838375 /nfs/dbraw/zinc/83/83/75/567838375.db2.gz WQWAZEBQJWDXPH-HNNXBMFYSA-N 0 0 276.420 5.183 40 0 CKABRN CCC[C@H](C)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000001572585 567838349 /nfs/dbraw/zinc/83/83/49/567838349.db2.gz NPAPHVLZHVHQSF-INIZCTEOSA-N 0 0 268.400 5.478 40 0 CKABRN CC(=O)Nc1c(Cl)cc2c3c(cccc31)-c1ccccc1-2 ZINC000001574368 567838287 /nfs/dbraw/zinc/83/82/87/567838287.db2.gz LSNHESLTORWDNG-UHFFFAOYSA-N 0 0 293.753 5.099 40 0 CKABRN Clc1ccc(SCNc2ccccc2Cl)cc1 ZINC000001574971 567838453 /nfs/dbraw/zinc/83/84/53/567838453.db2.gz XZNRWQBIKFBITL-UHFFFAOYSA-N 0 0 284.211 5.155 40 0 CKABRN c1sc2ccccc2c1Cc1csc2ccccc12 ZINC000001575229 567838321 /nfs/dbraw/zinc/83/83/21/567838321.db2.gz NTLMOKGOSPXFAF-UHFFFAOYSA-N 0 0 280.417 5.707 40 0 CKABRN Nc1ccc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000001575398 567838431 /nfs/dbraw/zinc/83/84/31/567838431.db2.gz XDSJROLEUVEQGQ-UHFFFAOYSA-N 0 0 299.826 5.368 40 0 CKABRN CCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001577057 567838400 /nfs/dbraw/zinc/83/84/00/567838400.db2.gz JBLPFPMLHWDSFR-UHFFFAOYSA-N 0 0 278.393 5.516 40 0 CKABRN CCCCOc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000001577730 567838469 /nfs/dbraw/zinc/83/84/69/567838469.db2.gz IJVHFDIDNXFTFW-UHFFFAOYSA-N 0 0 288.001 5.479 40 0 CKABRN O=C(C1CCCCC1)[C@@H]1CCCC[C@@H]1CC1CCCCC1 ZINC000001579161 567838267 /nfs/dbraw/zinc/83/82/67/567838267.db2.gz XLJCNJIFXNVEDZ-RTBURBONSA-N 0 0 290.491 5.913 40 0 CKABRN O=C(C1CCCCC1)[C@@H]1CCCC[C@H]1CC1CCCCC1 ZINC000001579162 567838398 /nfs/dbraw/zinc/83/83/98/567838398.db2.gz XLJCNJIFXNVEDZ-RBUKOAKNSA-N 0 0 290.491 5.913 40 0 CKABRN O=C(C1CCCCC1)[C@H]1CCCC[C@@H]1CC1CCCCC1 ZINC000001579163 567838370 /nfs/dbraw/zinc/83/83/70/567838370.db2.gz XLJCNJIFXNVEDZ-MOPGFXCFSA-N 0 0 290.491 5.913 40 0 CKABRN O=C(C1CCCCC1)[C@H]1CCCC[C@H]1CC1CCCCC1 ZINC000001579164 567838420 /nfs/dbraw/zinc/83/84/20/567838420.db2.gz XLJCNJIFXNVEDZ-OALUTQOASA-N 0 0 290.491 5.913 40 0 CKABRN Clc1ccc(-c2ncc(-c3ccccc3)o2)c(Cl)c1 ZINC000001580848 567838243 /nfs/dbraw/zinc/83/82/43/567838243.db2.gz MYMIDTCASDIGPI-UHFFFAOYSA-N 0 0 290.149 5.315 40 0 CKABRN c1ccc(-c2[nH]c(-c3ccccc3)c3ccccc32)cc1 ZINC000001581182 567838701 /nfs/dbraw/zinc/83/87/01/567838701.db2.gz YWCJNTKODUBZBV-UHFFFAOYSA-N 0 0 269.347 5.502 40 0 CKABRN CCCCC/C(=C/c1ccccc1)C1O[C@@H](C)C[C@H](C)O1 ZINC000001583879 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/nfs/dbraw/zinc/84/16/83/567841683.db2.gz TYXDDGUALVVMGC-GOSISDBHSA-N 0 0 280.411 5.013 40 0 CKABRN CCC[C@@H](C)CCCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000001689995 169743094 /nfs/dbraw/zinc/74/30/94/169743094.db2.gz FXIRPFLYEJSLGZ-OAHLLOKOSA-N 0 0 298.426 5.638 40 0 CKABRN C[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000001690476 169743392 /nfs/dbraw/zinc/74/33/92/169743392.db2.gz MVWVMBLDBKTOJG-JTQLQIEISA-N 0 0 251.156 5.145 40 0 in-vitro CKABRN c1ccc2c(c1)ccc1c2Nc2c(ccc3ccccc32)S1 ZINC000001690551 567841693 /nfs/dbraw/zinc/84/16/93/567841693.db2.gz FCTDXVQYLPZTNX-UHFFFAOYSA-N 0 0 299.398 6.201 40 0 CKABRN CC(C)=C(c1ccc(Cl)cc1)c1ccccc1Cl ZINC000001690923 570383851 /nfs/dbraw/zinc/38/38/51/570383851.db2.gz OQRZJLXQKSMQQI-UHFFFAOYSA-N 0 0 277.194 5.835 40 0 CKABRN c1ccc(CCN(c2ccccc2)c2ccccc2)cc1 ZINC000001691743 566999193 /nfs/dbraw/zinc/99/91/93/566999193.db2.gz WYOQUZIBSHOZGG-UHFFFAOYSA-N 0 0 273.379 5.067 40 0 CKABRN Cc1[nH]c2ccccc2c1/C=C/c1c[nH]c2ccccc12 ZINC000001691944 169743815 /nfs/dbraw/zinc/74/38/15/169743815.db2.gz MWUSBNUEGJCYFM-ZHACJKMWSA-N 0 0 272.351 5.128 40 0 CKABRN Cc1c2ccccc2[nH]c1C(C)c1[nH]c2ccccc2c1C ZINC000001691946 567841613 /nfs/dbraw/zinc/84/16/13/567841613.db2.gz IORPWZKQBBNEJH-UHFFFAOYSA-N 0 0 288.394 5.418 40 0 CKABRN Cc1[nH]c2ccc(C(C)(C)c3ccccc3)cc2c1C ZINC000001691951 567841855 /nfs/dbraw/zinc/84/18/55/567841855.db2.gz ZEVGOAJQFUOFDB-UHFFFAOYSA-N 0 0 263.384 5.111 40 0 CKABRN CC(C)(C)c1ccc(Sc2ncnc3ccccc32)cc1 ZINC000001692343 567841635 /nfs/dbraw/zinc/84/16/35/567841635.db2.gz APMRIGRDYNDPRM-UHFFFAOYSA-N 0 0 294.423 5.079 40 0 CKABRN c1ccc([C@@H]2c3ccccc3C[C@@H]2c2ccccc2)cc1 ZINC000001692696 169743877 /nfs/dbraw/zinc/74/38/77/169743877.db2.gz VYSINWOCMRTCLM-NHCUHLMSSA-N 0 0 270.375 5.158 40 0 CKABRN c1ccc([C@@H]2Cc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000001692697 567841810 /nfs/dbraw/zinc/84/18/10/567841810.db2.gz VYSINWOCMRTCLM-LEWJYISDSA-N 0 0 270.375 5.158 40 0 CKABRN c1ccc([C@H]2Cc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000001692698 567841879 /nfs/dbraw/zinc/84/18/79/567841879.db2.gz VYSINWOCMRTCLM-RTWAWAEBSA-N 0 0 270.375 5.158 40 0 CKABRN c1ccc([C@@H]2Cc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000001692699 567841711 /nfs/dbraw/zinc/84/17/11/567841711.db2.gz VYSINWOCMRTCLM-SFTDATJTSA-N 0 0 270.375 5.158 40 0 CKABRN CC1=C(c2ccccc2)[C@H](c2ccccc2)c2ccccc21 ZINC000001692705 169743874 /nfs/dbraw/zinc/74/38/74/169743874.db2.gz CNBFGOMXGAODCZ-JOCHJYFZSA-N 0 0 282.386 5.763 40 0 CKABRN C[C@@H]1c2ccccc2[C@H](C)c2cc(F)c3ccccc3c21 ZINC000001692837 567841834 /nfs/dbraw/zinc/84/18/34/567841834.db2.gz YBVNOGZXOWMIIN-QWHCGFSZSA-N 0 0 276.354 5.596 40 0 CKABRN C[C@@H]1c2ccccc2[C@@H](C)c2c3ccccc3c(F)cc21 ZINC000001692838 169743672 /nfs/dbraw/zinc/74/36/72/169743672.db2.gz YBVNOGZXOWMIIN-CHWSQXEVSA-N 0 0 276.354 5.596 40 0 CKABRN C[C@H]1c2ccccc2[C@H](C)c2c3ccccc3c(F)cc21 ZINC000001692839 169743857 /nfs/dbraw/zinc/74/38/57/169743857.db2.gz YBVNOGZXOWMIIN-STQMWFEESA-N 0 0 276.354 5.596 40 0 CKABRN C[C@@H]1c2ccccc2[C@H](C)c2c3ccccc3c(F)cc21 ZINC000001692840 567841831 /nfs/dbraw/zinc/84/18/31/567841831.db2.gz YBVNOGZXOWMIIN-OLZOCXBDSA-N 0 0 276.354 5.596 40 0 CKABRN CC(C)(Cl)[C@H]1CC=C(CC(Cl)(Cl)Cl)CC1 ZINC000001693455 169744134 /nfs/dbraw/zinc/74/41/34/169744134.db2.gz FBOPQCMYVVQUDG-VIFPVBQESA-N 0 0 290.061 5.491 40 0 CKABRN COc1ccc(Cl)c(/C=C/c2ccc(Cl)cc2)c1 ZINC000001693837 169744092 /nfs/dbraw/zinc/74/40/92/169744092.db2.gz JBLOQJAOMDFEKW-GORDUTHDSA-N 0 0 279.166 5.172 40 0 CKABRN Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C ZINC000001695357 567841660 /nfs/dbraw/zinc/84/16/60/567841660.db2.gz BGTZYQSCNQIZER-UHFFFAOYSA-N 0 0 252.401 5.246 40 0 CKABRN c1ccc2cc3c(cc2c1)Nc1cc2ccccc2cc1S3 ZINC000001695814 169744030 /nfs/dbraw/zinc/74/40/30/169744030.db2.gz YWQCUOPMWQPZTR-UHFFFAOYSA-N 0 0 299.398 6.201 40 0 CKABRN Nc1ccccc1/C=C/C=C1c2ccccc2-c2ccccc21 ZINC000001696182 567841836 /nfs/dbraw/zinc/84/18/36/567841836.db2.gz DUYFIEWIZAGPNS-VQHVLOKHSA-N 0 0 295.385 5.394 40 0 CKABRN C[C@H](O[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001696929 567841626 /nfs/dbraw/zinc/84/16/26/567841626.db2.gz FMIJOAHXNCLOLS-RYUDHWBXSA-N 0 0 295.209 5.832 40 0 CKABRN C[C@@H](O[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001696932 567841857 /nfs/dbraw/zinc/84/18/57/567841857.db2.gz FMIJOAHXNCLOLS-VXGBXAGGSA-N 0 0 295.209 5.832 40 0 CKABRN Cc1ccc2nc(-c3cc4ccccc4s3)ccc2c1 ZINC000001697172 169744383 /nfs/dbraw/zinc/74/43/83/169744383.db2.gz YWLAGGHITPBGPN-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN Cc1ccc2ccc(-c3cc4ccccc4s3)nc2c1 ZINC000001697173 567841697 /nfs/dbraw/zinc/84/16/97/567841697.db2.gz LJWCDXWCHFHIKY-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN Cc1cccc2ccc(-c3cc4ccccc4s3)nc12 ZINC000001697174 567841774 /nfs/dbraw/zinc/84/17/74/567841774.db2.gz FDYXKVIOGKGBLX-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN Clc1cccc2ccc(-c3cc4ccccc4s3)nc12 ZINC000001697175 567841772 /nfs/dbraw/zinc/84/17/72/567841772.db2.gz NHXCHCBIMBEHAX-UHFFFAOYSA-N 0 0 295.794 5.770 40 0 CKABRN CC(=O)c1ccccc1[C@H](C)c1ccc(C)c2ccccc21 ZINC000001697549 567841606 /nfs/dbraw/zinc/84/16/06/567841606.db2.gz JJFRMKWAMTZIAX-HNNXBMFYSA-N 0 0 288.390 5.503 40 0 CKABRN Clc1ccc2c(c1)Cc1cc(Cl)cc(Cl)c1-2 ZINC000001698863 169744903 /nfs/dbraw/zinc/74/49/03/169744903.db2.gz MXDREDYHROHHGJ-UHFFFAOYSA-N 0 0 269.558 5.218 40 0 CKABRN CCC1CCC(OC(=O)Nc2cccc3ccccc32)CC1 ZINC000001700502 169744780 /nfs/dbraw/zinc/74/47/80/169744780.db2.gz UXYKSHYAQKASGA-UHFFFAOYSA-N 0 0 297.398 5.357 40 0 CKABRN CC(C)(C)c1cc2c(cc1O)C(C)(C)CCC2(C)C ZINC000001701287 567842101 /nfs/dbraw/zinc/84/21/01/567842101.db2.gz DULAGHQEPINCJY-UHFFFAOYSA-N 0 0 260.421 5.039 40 0 CKABRN Clc1ccccc1-c1ccc2c(Cl)ccnc2c1 ZINC000001701644 169745159 /nfs/dbraw/zinc/74/51/59/169745159.db2.gz UJSZQBFZMHBJIZ-UHFFFAOYSA-N 0 0 274.150 5.209 40 0 CKABRN CC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 ZINC000001703603 169745627 /nfs/dbraw/zinc/74/56/27/169745627.db2.gz NYFMEHHDLYOUCQ-UHFFFAOYSA-N 0 0 295.769 5.066 40 0 CKABRN C1Cc2c3c4c(c5c2C(C1)CCC5)CCCC4CCC3 ZINC000001703779 567931576 /nfs/dbraw/zinc/93/15/76/567931576.db2.gz JAEIWHRMTMZKDG-UHFFFAOYSA-N 0 0 266.428 5.199 40 0 CKABRN Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000001704142 567841952 /nfs/dbraw/zinc/84/19/52/567841952.db2.gz UTMWFJSRHLYRPY-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 in-vitro CKABRN CCCCCCC(c1ccccc1)c1ccccc1 ZINC000001704759 567842085 /nfs/dbraw/zinc/84/20/85/567842085.db2.gz MZLKNWMNBXHXMA-UHFFFAOYSA-N 0 0 252.401 5.789 40 0 CKABRN Clc1cc(/C=C/c2ccccc2)c2ccccc2n1 ZINC000001705858 567842086 /nfs/dbraw/zinc/84/20/86/567842086.db2.gz VLBJXKYNRYYCAO-ZHACJKMWSA-N 0 0 265.743 5.059 40 0 CKABRN c1ccc(CP(Cc2ccccc2)c2ccccc2)cc1 ZINC000001705906 566998547 /nfs/dbraw/zinc/99/85/47/566998547.db2.gz OEWPHFZOEADETA-UHFFFAOYSA-N 0 0 290.346 5.194 40 0 CKABRN c1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001705907 567842028 /nfs/dbraw/zinc/84/20/28/567842028.db2.gz IPXSAYARKMFWCP-UHFFFAOYSA-N 0 0 295.385 6.016 40 0 CKABRN Clc1ccc2c(Cl)cc(-c3ccccc3)nc2c1 ZINC000001706871 566999158 /nfs/dbraw/zinc/99/91/58/566999158.db2.gz PCHBNMXAFNHKRD-UHFFFAOYSA-N 0 0 274.150 5.209 40 0 CKABRN c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001707167 567842034 /nfs/dbraw/zinc/84/20/34/567842034.db2.gz NAFYHLQTAPLJKI-UHFFFAOYSA-N 0 0 296.373 5.411 40 0 CKABRN CCC(CC)(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000001707497 567842117 /nfs/dbraw/zinc/84/21/17/567842117.db2.gz SQYCORMVVHDSBH-UHFFFAOYSA-N 0 0 252.401 5.410 40 0 CKABRN c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1 ZINC000001708057 567842147 /nfs/dbraw/zinc/84/21/47/567842147.db2.gz MPNFMCAOBNNFJF-UHFFFAOYSA-N 0 0 270.331 5.767 40 0 CKABRN CCC(c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000001708236 567841976 /nfs/dbraw/zinc/84/19/76/567841976.db2.gz BFJQSCBHQWBOIW-UHFFFAOYSA-N 0 0 252.401 5.429 40 0 CKABRN c1ccc(CN(c2ccccc2)C2CCCCCCC2)cc1 ZINC000001709209 567842184 /nfs/dbraw/zinc/84/21/84/567842184.db2.gz SVTGBGYFDUANNS-UHFFFAOYSA-N 0 0 293.454 5.806 40 0 CKABRN CCCCC[C@@H](C)n1c(C)cc(=O)n1[C@@H](C)CCCCC ZINC000001710524 567842110 /nfs/dbraw/zinc/84/21/10/567842110.db2.gz QNFGKCOMHSCZKO-CVEARBPZSA-N 0 0 294.483 5.241 40 0 CKABRN CCCCC[C@H](C)n1c(C)cc(=O)n1[C@@H](C)CCCCC ZINC000001710525 567842055 /nfs/dbraw/zinc/84/20/55/567842055.db2.gz QNFGKCOMHSCZKO-HOTGVXAUSA-N 0 0 294.483 5.241 40 0 CKABRN CCCCC[C@@H](C)n1c(C)cc(=O)n1[C@H](C)CCCCC ZINC000001710526 567842076 /nfs/dbraw/zinc/84/20/76/567842076.db2.gz QNFGKCOMHSCZKO-HZPDHXFCSA-N 0 0 294.483 5.241 40 0 CKABRN CCCCC[C@@H](C)n1c(=O)cc(C)n1[C@@H](C)CCCCC ZINC000001710527 567842160 /nfs/dbraw/zinc/84/21/60/567842160.db2.gz QNFGKCOMHSCZKO-JKSUJKDBSA-N 0 0 294.483 5.241 40 0 CKABRN Cc1cc(C)c(C(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1 ZINC000001711002 169747749 /nfs/dbraw/zinc/74/77/49/169747749.db2.gz PCQOISDMWNJMCA-UHFFFAOYSA-N 0 0 294.438 5.385 40 0 CKABRN Cc1cc(C)c([C@H](O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1 ZINC000001711005 169747746 /nfs/dbraw/zinc/74/77/46/169747746.db2.gz DEFZSACJSJAOMV-NRFANRHFSA-N 0 0 296.454 5.236 40 0 CKABRN Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1C2 ZINC000001711010 169747592 /nfs/dbraw/zinc/74/75/92/169747592.db2.gz OCQHESDDDWOTRL-UHFFFAOYSA-N 0 0 292.466 5.649 40 0 CKABRN c1ccc(N2CCCC2(c2ccccc2)c2ccccc2)cc1 ZINC000001713115 169748108 /nfs/dbraw/zinc/74/81/08/169748108.db2.gz KWLNAROUVGOHDS-UHFFFAOYSA-N 0 0 299.417 5.231 40 0 CKABRN CC(C)(C)Oc1cc(F)c(C(C)(C)C)cc1C(C)(C)C ZINC000001713132 169747900 /nfs/dbraw/zinc/74/79/00/169747900.db2.gz ZXZUMUBUDNGAPX-UHFFFAOYSA-N 0 0 280.427 5.598 40 0 CKABRN COc1ccccc1O/C=C/c1ccc(Cl)cc1Cl ZINC000001714474 567842534 /nfs/dbraw/zinc/84/25/34/567842534.db2.gz ODNCMUGEJGOHGG-CMDGGOBGSA-N 0 0 295.165 5.052 40 0 CKABRN c1ccc2c(c1)ccc1c2Oc2c(ccc3ccccc32)C1 ZINC000001715121 567842499 /nfs/dbraw/zinc/84/24/99/567842499.db2.gz FTSHLONLDOJXSG-UHFFFAOYSA-N 0 0 282.342 5.690 40 0 CKABRN Cc1cc(C)c(COCc2c(C)cc(C)cc2C)c(C)c1 ZINC000001715124 567842596 /nfs/dbraw/zinc/84/25/96/567842596.db2.gz FLFUQZJNWFHJCT-UHFFFAOYSA-N 0 0 282.427 5.254 40 0 CKABRN Cc1cc(C)c(/C=C/c2c(C)cc(C)cc2C)c(C)c1 ZINC000001715488 567842482 /nfs/dbraw/zinc/84/24/82/567842482.db2.gz IIBQILWKZYGYRQ-BQYQJAHWSA-N 0 0 264.412 5.708 40 0 CKABRN Clc1ccccc1Cc1cccc2ccccc21 ZINC000001715819 169749214 /nfs/dbraw/zinc/74/92/14/169749214.db2.gz COLGRTVWSWFJTR-UHFFFAOYSA-N 0 0 252.744 5.084 40 0 CKABRN C1CCC(C(C2CCCCC2)C2CCCCC2)CC1 ZINC000001717356 567842415 /nfs/dbraw/zinc/84/24/15/567842415.db2.gz SQDGPLNZHYWEOB-UHFFFAOYSA-N 0 0 262.481 6.344 40 0 CKABRN Clc1cc(Cl)c(COc2ccccc2)c(Cl)c1 ZINC000001719121 567842346 /nfs/dbraw/zinc/84/23/46/567842346.db2.gz DZZFMJAMIUKISW-UHFFFAOYSA-N 0 0 287.573 5.226 40 0 CKABRN CCc1c(Cl)c(Cl)c(CC)c(CC)c1Cl ZINC000001719390 169750056 /nfs/dbraw/zinc/75/00/56/169750056.db2.gz VGWXPSUAAADIIV-UHFFFAOYSA-N 0 0 265.611 5.334 40 0 CKABRN CCc1cc(O)c(-c2ccccc2)c(-c2ccccc2)c1 ZINC000001720925 567842537 /nfs/dbraw/zinc/84/25/37/567842537.db2.gz IFRIQWTZMLXHQV-UHFFFAOYSA-N 0 0 274.363 5.289 40 0 CKABRN Cc1c(C)c(CC(C)(C)C)c(C)c(CC(C)(C)C)c1C ZINC000001722242 567842617 /nfs/dbraw/zinc/84/26/17/567842617.db2.gz NSSMYFQUYITACG-UHFFFAOYSA-N 0 0 274.492 6.097 40 0 CKABRN Cc1c(C)c(C)c(CC(C)(C)C)c(CC(C)(C)C)c1C ZINC000001722246 567842421 /nfs/dbraw/zinc/84/24/21/567842421.db2.gz ULDLEROKNIHNLZ-UHFFFAOYSA-N 0 0 274.492 6.097 40 0 CKABRN ClC(Cl)(c1ccccc1)C1(c2ccccc2)CC1 ZINC000001722289 169750351 /nfs/dbraw/zinc/75/03/51/169750351.db2.gz NDADNFFMMNIODG-UHFFFAOYSA-N 0 0 277.194 5.049 40 0 CKABRN CC1(c2ccc3ccccc3c2)OCC2(CCCCC2)CO1 ZINC000001722315 567842332 /nfs/dbraw/zinc/84/23/32/567842332.db2.gz SKILAWNZOSHKOC-UHFFFAOYSA-N 0 0 296.410 5.010 40 0 CKABRN CC1(c2cccc3ccccc32)OCC2(CCCCC2)CO1 ZINC000001722316 567842380 /nfs/dbraw/zinc/84/23/80/567842380.db2.gz XAUQWNZTLBIVSO-UHFFFAOYSA-N 0 0 296.410 5.010 40 0 CKABRN CCCCCCC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000001722763 567842359 /nfs/dbraw/zinc/84/23/59/567842359.db2.gz UEWJYZPHXXIAPC-UHFFFAOYSA-N 0 0 296.410 5.367 40 0 CKABRN C(=C/C(c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000001724403 567842418 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CKABRN CCCCCP(=O)(CCCCC)CCCCC ZINC000001756192 169755259 /nfs/dbraw/zinc/75/52/59/169755259.db2.gz SAIZTOCXWYRRNW-UHFFFAOYSA-N 0 0 260.402 5.920 40 0 CKABRN CCCCCP(=O)(CCCCC)C1CCCC1 ZINC000001756201 567843185 /nfs/dbraw/zinc/84/31/85/567843185.db2.gz KCNMJDZXLRIIRY-UHFFFAOYSA-N 0 0 258.386 5.673 40 0 CKABRN O=P(C1CCCC1)(C1CCCC1)C1CCCC1 ZINC000001757467 567843184 /nfs/dbraw/zinc/84/31/84/567843184.db2.gz NLORAJAXZBEDKS-UHFFFAOYSA-N 0 0 254.354 5.177 40 0 CKABRN CC(=O)c1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C ZINC000001758716 567843150 /nfs/dbraw/zinc/84/31/50/567843150.db2.gz KDKSOHHQJBCVRH-UHFFFAOYSA-N 0 0 272.432 5.362 40 0 CKABRN CCc1cc2c(cc1C(C)=O)C(C)(C)C[C@H](C)C2(C)C ZINC000001758720 169755705 /nfs/dbraw/zinc/75/57/05/169755705.db2.gz LMPKSOXFUSKMGB-LBPRGKRZSA-N 0 0 272.432 5.047 40 0 CKABRN CC(C)CCOc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000001758721 169755809 /nfs/dbraw/zinc/75/58/09/169755809.db2.gz VXUUCLDTHMLAMK-UHFFFAOYSA-N 0 0 274.448 5.461 40 0 CKABRN CC(=O)c1cc2c(cc1C(C)C)C(C)(C)[C@@H](C)CC2(C)C ZINC000001758722 567843203 /nfs/dbraw/zinc/84/32/03/567843203.db2.gz CLNTYEUNAWFRLS-ZDUSSCGKSA-N 0 0 286.459 5.608 40 0 CKABRN CCc1cc2c(cc1C(=O)C(C)C)C(C)(C)CCC2(C)C ZINC000001758725 567843241 /nfs/dbraw/zinc/84/32/41/567843241.db2.gz SUABCPZDFGWENQ-UHFFFAOYSA-N 0 0 286.459 5.437 40 0 CKABRN CCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000001761863 566998280 /nfs/dbraw/zinc/99/82/80/566998280.db2.gz HERJOAJMXZQYDO-UHFFFAOYSA-N 0 0 261.453 5.128 40 0 CKABRN Brc1cscc1-c1cccc2ccccc21 ZINC000001763605 567843005 /nfs/dbraw/zinc/84/30/05/567843005.db2.gz UVGVMXIWNAVSIM-UHFFFAOYSA-N 0 0 289.197 5.331 40 0 CKABRN c1ccc(C2SCC3(CCCCC3)CS2)cc1 ZINC000001764282 169756277 /nfs/dbraw/zinc/75/62/77/169756277.db2.gz GNOCWUQFPLGICD-UHFFFAOYSA-N 0 0 264.459 5.116 40 0 CKABRN CC(C)(C)COP(OCC(C)(C)C)OCC(C)(C)C ZINC000001765090 567843470 /nfs/dbraw/zinc/84/34/70/567843470.db2.gz VEKIRWDIEAVDHT-UHFFFAOYSA-N 0 0 292.400 5.401 40 0 CKABRN CC(C)(CCC(C)(C)c1ccccc1)c1ccccc1 ZINC000001765657 567843520 /nfs/dbraw/zinc/84/35/20/567843520.db2.gz LVJSKCGXEVPUCH-UHFFFAOYSA-N 0 0 266.428 5.722 40 0 in-vitro CKABRN CCCCCCSc1nc(-c2ccccc2)cs1 ZINC000001787410 528148466 /nfs/dbraw/zinc/14/84/66/528148466.db2.gz AMKJREUBQRNLLW-UHFFFAOYSA-N 0 0 277.458 5.483 40 0 CKABRN CCCC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001848598 566999242 /nfs/dbraw/zinc/99/92/42/566999242.db2.gz FZDWCIFEPCLFTI-UHFFFAOYSA-N 0 0 276.420 5.106 40 0 CKABRN Clc1cc(-c2ccccc2)cc(Cl)c1Cl ZINC000001849470 169759940 /nfs/dbraw/zinc/75/99/40/169759940.db2.gz BSFZSQRJGZHMMV-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 CKABRN CCC[C@H]1C=C(c2ccccc2)N=C(c2ccccc2)S1 ZINC000001859134 567843747 /nfs/dbraw/zinc/84/37/47/567843747.db2.gz VUGJNCSLINCGBV-KRWDZBQOSA-N 0 0 293.435 5.390 40 0 CKABRN CC(=O)c1cc2c(cc1C)C1=C(CC[C@@H](C)C1)C2(C)C ZINC000001868460 567843865 /nfs/dbraw/zinc/84/38/65/567843865.db2.gz QPZWRMWMQGVAIM-LLVKDONJSA-N 0 0 268.400 5.062 40 0 CKABRN Cc1cc2c(c3c1[C@@H](C)CCC3=O)C(C)(C)CC2(C)C ZINC000001868461 169761807 /nfs/dbraw/zinc/76/18/07/169761807.db2.gz FCFDFHBSUGPWGA-NSHDSACASA-N 0 0 270.416 5.034 40 0 CKABRN CC(C)c1cc2c(c3c1C(=O)CC3)C(C)(C)CCC2(C)C ZINC000001868464 567843759 /nfs/dbraw/zinc/84/37/59/567843759.db2.gz IQBPIKKUYWDBLV-UHFFFAOYSA-N 0 0 284.443 5.288 40 0 CKABRN CC(=O)[C@@H](C)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000001868465 567843769 /nfs/dbraw/zinc/84/37/69/567843769.db2.gz GMAHFLPYKPDEGF-ZDUSSCGKSA-N 0 0 286.459 5.112 40 0 CKABRN CCC[C@H](Sc1ccccc1)c1ccccc1NC(C)=O ZINC000001869984 169761763 /nfs/dbraw/zinc/76/17/63/169761763.db2.gz STZWZYQKWDYTEP-SFHVURJKSA-N 0 0 299.439 5.279 40 0 CKABRN CC(C)c1c(O)ccc2c1CC[C@@H]1C(C)(C)CCC[C@]21C ZINC000001872133 566970956 /nfs/dbraw/zinc/97/09/56/566970956.db2.gz ZRVDANDJSTYELM-YLJYHZDGSA-N 0 0 286.459 5.546 40 0 in-vitro CKABRN c1ccc2cc3c(cc2c1)Nc1cc2ccccc2cc1N3 ZINC000001873125 570214413 /nfs/dbraw/zinc/21/44/13/570214413.db2.gz WEZBHKGNUIINBQ-UHFFFAOYSA-N 0 0 282.346 5.794 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Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2 ZINC000002007514 567844167 /nfs/dbraw/zinc/84/41/67/567844167.db2.gz HRVUKLBFRPWXPJ-UHFFFAOYSA-N 0 0 287.529 5.545 40 0 CKABRN Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000002007779 169766931 /nfs/dbraw/zinc/76/69/31/169766931.db2.gz YZANRISAORXTHU-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 CKABRN Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000002007782 567844037 /nfs/dbraw/zinc/84/40/37/567844037.db2.gz RIBGNAJQTOXRDK-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 CKABRN Clc1ccc(-c2ccccc2Cl)cc1Cl ZINC000002007783 169767261 /nfs/dbraw/zinc/76/72/61/169767261.db2.gz RIMXLXBUOQMDHV-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 CKABRN Clc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000002007784 169767161 /nfs/dbraw/zinc/76/71/61/169767161.db2.gz ZMHWQAHZKUPENF-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 CKABRN Clc1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000002007787 567844146 /nfs/dbraw/zinc/84/41/46/567844146.db2.gz ONNCPBRWFSKDMQ-UHFFFAOYSA-N 0 0 257.547 5.314 40 0 in-vitro CKABRN Clc1cccc(-c2ccccc2Cl)c1Cl ZINC000002007788 567844236 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CKABRN Cc1cc(O)cc(C(C)C)c1[C@@H]1Nc2ccccc2S1 ZINC000002043355 169771328 /nfs/dbraw/zinc/77/13/28/169771328.db2.gz OOIWORWZLZCFPP-QGZVFWFLSA-N 0 0 285.412 5.040 40 0 CKABRN C[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000002044138 567844471 /nfs/dbraw/zinc/84/44/71/567844471.db2.gz MVWVMBLDBKTOJG-SNVBAGLBSA-N 0 0 251.156 5.145 40 0 in-vitro CKABRN CC(C)(C)[C@@H]1COC(c2ccccc2)(c2ccccc2)C1 ZINC000002044216 567844495 /nfs/dbraw/zinc/84/44/95/567844495.db2.gz TYXDDGUALVVMGC-SFHVURJKSA-N 0 0 280.411 5.013 40 0 CKABRN CC(=O)CCCCCCCCCC[C@@H]1C=CCC1 ZINC000002046085 567844533 /nfs/dbraw/zinc/84/45/33/567844533.db2.gz AMSKYRSZBKQWMU-QGZVFWFLSA-N 0 0 250.426 5.443 40 0 in-vitro CKABRN CCCC[C@@H](CC)COC(=O)c1ccc(C(C)C)cc1 ZINC000002046425 567844425 /nfs/dbraw/zinc/84/44/25/567844425.db2.gz WQWAZEBQJWDXPH-OAHLLOKOSA-N 0 0 276.420 5.183 40 0 CKABRN CC(=O)c1cc2c(cc1C)C1=C(CC[C@H](C)C1)C2(C)C ZINC000002046471 567844493 /nfs/dbraw/zinc/84/44/93/567844493.db2.gz QPZWRMWMQGVAIM-NSHDSACASA-N 0 0 268.400 5.062 40 0 CKABRN CC[C@@H](c1cc(C)c(O)c(C)c1)[C@H](CC)c1ccc(O)cc1 ZINC000002048255 567844408 /nfs/dbraw/zinc/84/44/08/567844408.db2.gz LFDWPAGUFRPUIH-MOPGFXCFSA-N 0 0 298.426 5.402 40 0 CKABRN CC[C@H](c1ccc(O)cc1)[C@H](CC)c1cc(C)c(O)c(C)c1 ZINC000002048256 169772263 /nfs/dbraw/zinc/77/22/63/169772263.db2.gz LFDWPAGUFRPUIH-RTBURBONSA-N 0 0 298.426 5.402 40 0 CKABRN CC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(F)cc1 ZINC000002048412 567844564 /nfs/dbraw/zinc/84/45/64/567844564.db2.gz IPXYROUXWHVCDA-MSOLQXFVSA-N 0 0 272.363 5.219 40 0 CKABRN CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(F)cc1 ZINC000002048413 567844348 /nfs/dbraw/zinc/84/43/48/567844348.db2.gz IPXYROUXWHVCDA-QZTJIDSGSA-N 0 0 272.363 5.219 40 0 CKABRN CC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(C)cc1 ZINC000002048444 560186482 /nfs/dbraw/zinc/18/64/82/560186482.db2.gz AUWUNEDFGHJFBH-MOPGFXCFSA-N 0 0 268.400 5.388 40 0 in-vitro CKABRN CC[C@H](c1ccc(C)cc1)[C@H](CC)c1ccc(O)cc1 ZINC000002048445 560186487 /nfs/dbraw/zinc/18/64/87/560186487.db2.gz AUWUNEDFGHJFBH-RTBURBONSA-N 0 0 268.400 5.388 40 0 in-vitro CKABRN CCN1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000002058032 567937588 /nfs/dbraw/zinc/93/75/88/567937588.db2.gz OGKOPTDGLKQQQS-FQEVSTJZSA-N 0 0 279.427 5.001 40 0 CKABRN CCN1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000002058033 567937629 /nfs/dbraw/zinc/93/76/29/567937629.db2.gz OGKOPTDGLKQQQS-HXUWFJFHSA-N 0 0 279.427 5.001 40 0 CKABRN c1ccc([C@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@@H]32)cc1 ZINC000002090476 567844870 /nfs/dbraw/zinc/84/48/70/567844870.db2.gz LPIUFHIVFBMKNS-YDZRNGNQSA-N 0 0 268.400 5.043 40 0 CKABRN C1=C2[C@H]3CCCC[C@@H]3OC3(CCCCC3)[C@@H]2CCC1 ZINC000002105836 567932059 /nfs/dbraw/zinc/93/20/59/567932059.db2.gz IMFLUMXQDKOHDN-ZACQAIPSSA-N 0 0 260.421 5.005 40 0 CKABRN C[C@@]12CC[C@@]3(C1)[C@@](C)(CC[C@@H]1C(C)(C)CCC[C@@]13C)C2=O ZINC000002111830 567844886 /nfs/dbraw/zinc/84/48/86/567844886.db2.gz KQWRECMMRGLTCH-NSYSGPAISA-N 0 0 288.475 5.378 40 0 CKABRN C[C@@]12CC[C@@]3(C1)[C@@](C)(CC[C@H]1C(C)(C)CCC[C@@]13C)C2=O 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567845818 /nfs/dbraw/zinc/84/58/18/567845818.db2.gz SAHYANTVORDRQI-PRFTWSQHSA-N 0 0 292.507 6.347 40 0 CKABRN CC(C)[C@@H]1C=C2CC[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@@H]2CC1 ZINC000002507828 169796799 /nfs/dbraw/zinc/79/67/99/169796799.db2.gz FLMIYUXOBAUKJM-FKICDVMDSA-N 0 0 290.491 5.194 40 0 CKABRN CCCCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002512550 567943766 /nfs/dbraw/zinc/94/37/66/567943766.db2.gz HHVQDDCTUWJMFP-UHFFFAOYSA-N 0 0 252.357 5.117 40 0 CKABRN CCCCCC1CCC(C2CCC(=O)CC2)CC1 ZINC000002525465 567145281 /nfs/dbraw/zinc/14/52/81/567145281.db2.gz OZLFNAZSDVXEFU-UHFFFAOYSA-N 0 0 250.426 5.132 40 0 CKABRN Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl ZINC000002526152 567847870 /nfs/dbraw/zinc/84/78/70/567847870.db2.gz VTLYHLREPCPDKX-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000002526153 169802441 /nfs/dbraw/zinc/80/24/41/169802441.db2.gz ALFHIHDQSYXSGP-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1ccccc1-c1cc(Cl)c(Cl)cc1Cl ZINC000002526155 567847851 /nfs/dbraw/zinc/84/78/51/567847851.db2.gz XBTHILIDLBPRPM-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 in-vitro CKABRN Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000002526156 567847678 /nfs/dbraw/zinc/84/76/78/567847678.db2.gz ZWPVHELAQPIZHO-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1 ZINC000002526157 567847659 /nfs/dbraw/zinc/84/76/59/567847659.db2.gz VLLVVZDKBSYMCG-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1 ZINC000002526158 169802304 /nfs/dbraw/zinc/80/23/04/169802304.db2.gz SFTUSTXGTCCSHX-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl ZINC000002526159 567847630 /nfs/dbraw/zinc/84/76/30/567847630.db2.gz PXAGFNRKXSYIHU-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1 ZINC000002526160 567847731 /nfs/dbraw/zinc/84/77/31/567847731.db2.gz ZKGSEEWIVLAUNH-UHFFFAOYSA-N 0 0 291.992 5.967 40 0 CKABRN Clc1cc(Cl)cc(-c2cccc(Cl)c2Cl)c1 ZINC000002526161 567847884 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/nfs/dbraw/zinc/34/33/65/170343365.db2.gz JBLOQJAOMDFEKW-DJWKRKHSSA-N 0 0 279.166 5.172 40 0 CKABRN Cc1cc(C)c([C@@H](O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1 ZINC000008637703 261391116 /nfs/dbraw/zinc/39/11/16/261391116.db2.gz DEFZSACJSJAOMV-OAQYLSRUSA-N 0 0 296.454 5.236 40 0 CKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C\C(C)=C/CO ZINC000008637880 260032375 /nfs/dbraw/zinc/03/23/75/260032375.db2.gz FPIPGXGPPPQFEQ-BZBPLYBGSA-N 0 0 286.459 5.510 40 0 world CKABRN O=C(O[C@H]1CCC/C=C/CCCC1)c1ccc(Cl)cc1 ZINC000008649167 170343942 /nfs/dbraw/zinc/34/39/42/170343942.db2.gz LYSUNADPOLHCLA-PYKQWIPUSA-N 0 0 292.806 5.166 40 0 CKABRN O=C(O[C@@H]1CCC/C=C/CCCC1)c1ccc(Cl)cc1 ZINC000008649168 170343924 /nfs/dbraw/zinc/34/39/24/170343924.db2.gz LYSUNADPOLHCLA-XGBNDESESA-N 0 0 292.806 5.166 40 0 CKABRN Cc1cc(/C=C\c2ccccc2)nc(/C=C\c2ccccc2)c1 ZINC000008652895 170343868 /nfs/dbraw/zinc/34/38/68/170343868.db2.gz CUQFXWQYBXPBHG-DZDAAMPGSA-N 0 0 297.401 5.731 40 0 CKABRN Cc1cc(/C=C/c2ccccc2)nc(/C=C\c2ccccc2)c1 ZINC000008652896 170344057 /nfs/dbraw/zinc/34/40/57/170344057.db2.gz CUQFXWQYBXPBHG-PMJBJKLVSA-N 0 0 297.401 5.731 40 0 CKABRN Clc1ccc2nc(/C=C/c3ccccc3)ccc2c1 ZINC000008654910 170344351 /nfs/dbraw/zinc/34/43/51/170344351.db2.gz SHCUVDPXLDXGCP-RMKNXTFCSA-N 0 0 265.743 5.059 40 0 CKABRN CCCCC(CCCC)(CCCC)c1ccncc1 ZINC000008701011 170346648 /nfs/dbraw/zinc/34/66/48/170346648.db2.gz UHZBGMXRTZWCPC-UHFFFAOYSA-N 0 0 261.453 5.890 40 0 CKABRN CCCCCC[C@@H](C)Oc1ccc(N)cc1C(F)(F)F ZINC000008702490 170347609 /nfs/dbraw/zinc/34/76/09/170347609.db2.gz JAEURPIZUHISIF-LLVKDONJSA-N 0 0 289.341 5.025 40 0 CKABRN CCCCCC[C@H](C)Oc1ccc(N)cc1C(F)(F)F ZINC000008702491 170347682 /nfs/dbraw/zinc/34/76/82/170347682.db2.gz JAEURPIZUHISIF-NSHDSACASA-N 0 0 289.341 5.025 40 0 CKABRN CCCCCC[C@@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000008702521 170347581 /nfs/dbraw/zinc/34/75/81/170347581.db2.gz XSWBRYBLQQETKO-LLVKDONJSA-N 0 0 289.341 5.025 40 0 CKABRN CCCCCC[C@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000008702522 170347390 /nfs/dbraw/zinc/34/73/90/170347390.db2.gz XSWBRYBLQQETKO-NSHDSACASA-N 0 0 289.341 5.025 40 0 CKABRN Fc1ccc([C@H]2O[C@H]3CCCC[C@@H]3c3sccc32)cc1 ZINC000008783018 170355971 /nfs/dbraw/zinc/35/59/71/170355971.db2.gz DVSSQOIOQHAJIM-CWRNSKLLSA-N 0 0 288.387 5.033 40 0 CKABRN S=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 ZINC000010012487 170394945 /nfs/dbraw/zinc/39/49/45/170394945.db2.gz DDCBCEMLMNQMTD-UHFFFAOYSA-N 0 0 285.456 5.032 40 0 CKABRN CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21C ZINC000011616278 570219721 /nfs/dbraw/zinc/21/97/21/570219721.db2.gz AOXRBFRFYPMWLR-GTYQWKCWSA-N 0 0 288.475 5.090 40 0 CKABRN CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4CCCC[C@@H]4[C@@H]3CC[C@@]21C ZINC000011677688 570220274 /nfs/dbraw/zinc/22/02/74/570220274.db2.gz VGXLQFPZGUQVQW-GTYQWKCWSA-N 0 0 288.475 5.090 40 0 CKABRN CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2=O ZINC000012359061 567114356 /nfs/dbraw/zinc/11/43/56/567114356.db2.gz WSEKTTAFOPSBSU-UHFFFAOYSA-N 0 0 292.422 5.493 40 0 CKABRN CCCC[C@@H](CC)CS(=O)C[C@@H](CC)CCCC ZINC000012359978 567862518 /nfs/dbraw/zinc/86/25/18/567862518.db2.gz PGRIEACWYQKVQY-BYICEURKSA-N 0 0 274.514 5.168 40 0 CKABRN CCCC/C=C\CCCCCCCCOC(C)=O ZINC000012405099 566862705 /nfs/dbraw/zinc/86/27/05/566862705.db2.gz XXPBOEBNDHAAQH-SREVYHEPSA-N 0 0 254.414 5.027 40 0 CKABRN CC(=C\C=C/C(C)=C\CO)/C=C\C1=C(C)CCCC1(C)C ZINC000012484934 170490508 /nfs/dbraw/zinc/49/05/08/170490508.db2.gz FPIPGXGPPPQFEQ-JRFASXFTSA-N 0 0 286.459 5.510 40 0 world CKABRN CC(/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\CO ZINC000012496767 567863390 /nfs/dbraw/zinc/86/33/90/567863390.db2.gz FPIPGXGPPPQFEQ-MKOSUFFBSA-N 0 0 286.459 5.510 40 0 endogenous,in-man CKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C/CO ZINC000012496774 567863690 /nfs/dbraw/zinc/86/36/90/567863690.db2.gz FPIPGXGPPPQFEQ-HWCYFHEPSA-N 0 0 286.459 5.510 40 0 endogenous,in-man CKABRN c1ccc([C@@H]2O[C@H]3CCCC[C@@H]3C3=CCCC[C@H]32)cc1 ZINC000012652517 567863818 /nfs/dbraw/zinc/86/38/18/567863818.db2.gz LPIUFHIVFBMKNS-YRXWBPOGSA-N 0 0 268.400 5.043 40 0 CKABRN Clc1ccccc1/C=C\c1ccnc2ccccc12 ZINC000012671128 567864047 /nfs/dbraw/zinc/86/40/47/567864047.db2.gz DVQQCTSFLJNTCY-KTKRTIGZSA-N 0 0 265.743 5.059 40 0 in-vitro CKABRN CCC(CC=C(C)C)(CC=C(C)C)c1ccncc1 ZINC000013162902 567865120 /nfs/dbraw/zinc/86/51/20/567865120.db2.gz SWAIWDWUIKIUQZ-UHFFFAOYSA-N 0 0 257.421 5.442 40 0 CKABRN CC(C)c1ncc(-c2ccccc2)cc1-c1ccccc1 ZINC000013214367 567865299 /nfs/dbraw/zinc/86/52/99/567865299.db2.gz GCZUVRTWMZZZFI-UHFFFAOYSA-N 0 0 273.379 5.539 40 0 CKABRN Cc1cc(-c2ccccc2)[nH]c1-c1nccc2ccccc21 ZINC000013221034 567865608 /nfs/dbraw/zinc/86/56/08/567865608.db2.gz XOLLNAITAXMEIT-UHFFFAOYSA-N 0 0 284.362 5.205 40 0 CKABRN O=C1CCCCCCC/C=C/CCCCCCC1 ZINC000013415610 567866348 /nfs/dbraw/zinc/86/63/48/567866348.db2.gz ZKVZSBSZTMPBQR-OWOJBTEDSA-N 0 0 250.426 5.587 40 0 endogenous,in-man CKABRN Clc1ccccc1/C=C(/c1ccccc1)c1ccccn1 ZINC000013487519 567866207 /nfs/dbraw/zinc/86/62/07/567866207.db2.gz ZSEAQFOBTFUQGG-VKAVYKQESA-N 0 0 291.781 5.324 40 0 CKABRN CCCCC/C=C/C/C=C\CCCCCCCCO ZINC000013508551 570392709 /nfs/dbraw/zinc/39/27/09/570392709.db2.gz JXNPEDYJTDQORS-KQHSAVHASA-N 0 0 266.469 5.792 40 0 CKABRN CCCCC/C=C\C/C=C/CCCCCCCCO ZINC000013508553 170557097 /nfs/dbraw/zinc/55/70/97/170557097.db2.gz JXNPEDYJTDQORS-IXWMQOLASA-N 0 0 266.469 5.792 40 0 CKABRN CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC ZINC000013513313 570392654 /nfs/dbraw/zinc/39/26/54/570392654.db2.gz WTTJVINHCBCLGX-LFOHPMNASA-N 0 0 294.479 5.973 40 0 CKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CO ZINC000013524712 570392501 /nfs/dbraw/zinc/39/25/01/570392501.db2.gz OJISWRZIEWCUBN-MVRGCTHJSA-N 0 0 290.491 6.124 40 0 CKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO ZINC000013524718 570392746 /nfs/dbraw/zinc/39/27/46/570392746.db2.gz OJISWRZIEWCUBN-KWBDAJKESA-N 0 0 290.491 6.124 40 0 CKABRN Cc1sc2[nH]c(C3CCCCC3)nc(=S)c2c1C ZINC000013535255 567866336 /nfs/dbraw/zinc/86/63/36/567866336.db2.gz DFDUKZMOPFZHKX-UHFFFAOYSA-N 0 0 278.446 5.018 40 0 CKABRN CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)OC ZINC000013541725 170560230 /nfs/dbraw/zinc/56/02/30/170560230.db2.gz DVWSXZIHSUZZKJ-IISVKSLHSA-N 0 0 292.463 5.749 40 0 CKABRN CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OC ZINC000013541729 170560170 /nfs/dbraw/zinc/56/01/70/170560170.db2.gz DVWSXZIHSUZZKJ-GVNKBMKVSA-N 0 0 292.463 5.749 40 0 CKABRN COc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1 ZINC000013607308 567866876 /nfs/dbraw/zinc/86/68/76/567866876.db2.gz YDVZIQMQLZBUKX-NSCUHMNNSA-N 0 0 279.166 5.172 40 0 in-vitro CKABRN CCCCCn1ccc(C(=O)c2cccc3ccccc32)c1 ZINC000013858625 170604615 /nfs/dbraw/zinc/60/46/15/170604615.db2.gz VPBJQDBKZSHCPC-UHFFFAOYSA-N 0 0 291.394 5.063 40 0 in-vitro CKABRN Cc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000014258130 170630350 /nfs/dbraw/zinc/63/03/50/170630350.db2.gz CRPAGDFDRGXZPV-UHFFFAOYSA-N 0 0 295.769 5.054 40 0 CKABRN Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000014258132 170630049 /nfs/dbraw/zinc/63/00/49/170630049.db2.gz DLUUNJVYRHHSFS-UHFFFAOYSA-N 0 0 295.769 5.054 40 0 CKABRN CC(/C=C/C=C(C)\C=C\C1=C(C)C=CCC1(C)C)=C\CO ZINC000014685559 567869584 /nfs/dbraw/zinc/86/95/84/567869584.db2.gz XWCYDHJOKKGVHC-MKOSUFFBSA-N 0 0 284.443 5.286 40 0 CKABRN CC(C)=CCC/C(C)=C\CC/C(C)=C/CCC(C)=O ZINC000014822753 170646382 /nfs/dbraw/zinc/64/63/82/170646382.db2.gz LTUMRKDLVGQMJU-HSVQFRAPSA-N 0 0 262.437 5.775 40 0 endogenous,in-man CKABRN Clc1ccc(NCc2cccc3[nH]ccc32)c(Cl)c1 ZINC000015423575 567944213 /nfs/dbraw/zinc/94/42/13/567944213.db2.gz LQNDSCGJKYGYCR-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1cc(Cl)cc(NCc2cccc3[nH]ccc32)c1 ZINC000015423576 567944142 /nfs/dbraw/zinc/94/41/42/567944142.db2.gz RMBPKYVQKYLDBA-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1ccc(Cl)c(NCc2cccc3[nH]ccc32)c1 ZINC000015423578 567944021 /nfs/dbraw/zinc/94/40/21/567944021.db2.gz SBSYSMFVPUSVRJ-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1ccc(NCc2cccc3[nH]ccc32)cc1Cl ZINC000015423591 567944069 /nfs/dbraw/zinc/94/40/69/567944069.db2.gz MFIURRYFWHYUBO-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1ccc(NCc2ccc3[nH]ccc3c2)c(Cl)c1 ZINC000015424249 170665866 /nfs/dbraw/zinc/66/58/66/170665866.db2.gz QGFMIFONWOZAQF-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1cc(Cl)cc(NCc2ccc3[nH]ccc3c2)c1 ZINC000015424250 170665745 /nfs/dbraw/zinc/66/57/45/170665745.db2.gz CXUHUUKYERCPTL-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1ccc(Cl)c(NCc2ccc3[nH]ccc3c2)c1 ZINC000015424252 170666108 /nfs/dbraw/zinc/66/61/08/170666108.db2.gz ARIPOIHMOGXAEX-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN Clc1ccc(NCc2ccc3[nH]ccc3c2)cc1Cl ZINC000015424264 567944223 /nfs/dbraw/zinc/94/42/23/567944223.db2.gz HQJURHKCIFZBQK-UHFFFAOYSA-N 0 0 291.181 5.087 40 0 CKABRN CSc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000015441395 567907227 /nfs/dbraw/zinc/90/72/27/567907227.db2.gz QFEWFBYUNMZRGE-UHFFFAOYSA-N 0 0 268.303 5.094 40 0 CKABRN COc1ccc2cc(-c3cccc(Cl)c3)ccc2c1 ZINC000015443418 567907136 /nfs/dbraw/zinc/90/71/36/567907136.db2.gz KOSJRNXKSWBQAQ-UHFFFAOYSA-N 0 0 268.743 5.169 40 0 CKABRN S=c1sc(-c2ccccc2)ccc1-c1ccccc1 ZINC000015444245 567870628 /nfs/dbraw/zinc/87/06/28/567870628.db2.gz RVVBHWRLPQEFBL-UHFFFAOYSA-N 0 0 280.417 5.812 40 0 CKABRN CCC(CC)c1cccc(-c2cccc(C(CC)CC)n2)n1 ZINC000015781919 570253814 /nfs/dbraw/zinc/25/38/14/570253814.db2.gz XKSQQRWQIBQTAX-UHFFFAOYSA-N 0 0 296.458 5.951 40 0 CKABRN CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000016051585 567871704 /nfs/dbraw/zinc/87/17/04/567871704.db2.gz GGYKPYDKXLHNTI-HSALFYBXSA-N 0 0 282.556 7.472 40 0 in-vitro CKABRN CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000016051587 170686226 /nfs/dbraw/zinc/68/62/26/170686226.db2.gz GGYKPYDKXLHNTI-AABGKKOBSA-N 0 0 282.556 7.472 40 0 in-vitro CKABRN CCc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000016162208 570255806 /nfs/dbraw/zinc/25/58/06/570255806.db2.gz HRLBJIQBAAZHRY-UHFFFAOYSA-N 0 0 292.165 5.364 40 0 CKABRN CCc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000016162222 570255797 /nfs/dbraw/zinc/25/57/97/570255797.db2.gz VXRQZBGOAPPVDV-UHFFFAOYSA-N 0 0 279.383 5.355 40 0 CKABRN CCc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000016162227 570255788 /nfs/dbraw/zinc/25/57/88/570255788.db2.gz JCCOYIYGAVYSPT-UHFFFAOYSA-N 0 0 299.373 5.724 40 0 CKABRN CCc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 ZINC000016162229 170689143 /nfs/dbraw/zinc/68/91/43/170689143.db2.gz KVRXAHBSXZDLHY-UHFFFAOYSA-N 0 0 271.747 5.019 40 0 CKABRN COc1ccc(N(c2cccs2)c2ccccc2)cc1 ZINC000016216885 567872361 /nfs/dbraw/zinc/87/23/61/567872361.db2.gz KWOHUVAHWWRHPO-UHFFFAOYSA-N 0 0 281.380 5.227 40 0 CKABRN Cc1nc2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000016265603 567872154 /nfs/dbraw/zinc/87/21/54/567872154.db2.gz YBFNCBJNLYRZAN-UHFFFAOYSA-N 0 0 294.741 5.005 40 0 CKABRN Cc1nn(-c2ccccc2)c2scc(-c3ccccc3)c12 ZINC000016266204 567872109 /nfs/dbraw/zinc/87/21/09/567872109.db2.gz RGLBBCAFWCSIDZ-UHFFFAOYSA-N 0 0 290.391 5.062 40 0 CKABRN Cc1cc2nc(-c3cc(Cl)ccc3Cl)oc2c(C)c1 ZINC000016268706 567908580 /nfs/dbraw/zinc/90/85/80/567908580.db2.gz RZYAXCBQIHBNAF-UHFFFAOYSA-N 0 0 292.165 5.418 40 0 CKABRN Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)oc2c(C)c1 ZINC000016268737 567908479 /nfs/dbraw/zinc/90/84/79/567908479.db2.gz REWSMMQSLVCXCM-UHFFFAOYSA-N 0 0 292.165 5.418 40 0 CKABRN Cc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(C)c1 ZINC000016268763 567908450 /nfs/dbraw/zinc/90/84/50/567908450.db2.gz DCALDWGIUZCLSW-UHFFFAOYSA-N 0 0 265.356 5.235 40 0 CKABRN Cc1c2ccccc2sc1-c1cc(C)c2ccccc2n1 ZINC000016284031 567872529 /nfs/dbraw/zinc/87/25/29/567872529.db2.gz BBVZMGLYPRFYHY-UHFFFAOYSA-N 0 0 289.403 5.733 40 0 CKABRN Cc1ccc(CSc2nc3ccccc3s2)c(C)c1 ZINC000016284756 567872508 /nfs/dbraw/zinc/87/25/08/567872508.db2.gz DMUAZFAHJFQXQJ-UHFFFAOYSA-N 0 0 285.437 5.205 40 0 CKABRN Cc1ccc(C)c(CSc2ccc(Cl)cc2)c1 ZINC000016285062 567872671 /nfs/dbraw/zinc/87/26/71/567872671.db2.gz UZSPEXYODHTWAZ-UHFFFAOYSA-N 0 0 262.805 5.249 40 0 CKABRN Cc1ccc(C)c(CSc2nc3ccccc3s2)c1 ZINC000016285069 567872492 /nfs/dbraw/zinc/87/24/92/567872492.db2.gz ZPDSUWZVHAFRJD-UHFFFAOYSA-N 0 0 285.437 5.205 40 0 CKABRN Cc1ccc(-c2nc3cc(C)cc(C)c3o2)c(Cl)c1 ZINC000016285106 567944361 /nfs/dbraw/zinc/94/43/61/567944361.db2.gz CYFFVPROXTUHJU-UHFFFAOYSA-N 0 0 271.747 5.073 40 0 CKABRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)c(Cl)c1 ZINC000016285108 170692803 /nfs/dbraw/zinc/69/28/03/170692803.db2.gz WXOAODNOTUQUAB-UHFFFAOYSA-N 0 0 278.138 5.110 40 0 CKABRN Cc1ccc(N(c2cccs2)c2ccc(C)cc2)cc1 ZINC000016292611 567872551 /nfs/dbraw/zinc/87/25/51/567872551.db2.gz LVGJJUJVDAJKSR-UHFFFAOYSA-N 0 0 279.408 5.835 40 0 CKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1C ZINC000016312647 170693168 /nfs/dbraw/zinc/69/31/68/170693168.db2.gz KLVUQCDNQAJOFP-UHFFFAOYSA-N 0 0 265.356 5.235 40 0 CKABRN CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)s1 ZINC000016321978 170693435 /nfs/dbraw/zinc/69/34/35/170693435.db2.gz DPKWVJIXTKYKGP-UHFFFAOYSA-N 0 0 293.391 5.421 40 0 CKABRN CC(C)(C)Nc1ccccc1OCc1ccc(Cl)cc1 ZINC000016322961 170693637 /nfs/dbraw/zinc/69/36/37/170693637.db2.gz KUSPYEVBOXVKPE-UHFFFAOYSA-N 0 0 289.806 5.129 40 0 CKABRN CSc1ccc(C(C)(C)C)n1-c1ccc(Cl)cc1 ZINC000016323301 567872623 /nfs/dbraw/zinc/87/26/23/567872623.db2.gz JLNVAELUVREWBU-UHFFFAOYSA-N 0 0 279.836 5.150 40 0 CKABRN Cc1cc2nc(-c3ccc(C)c(Cl)c3)oc2c(C)c1 ZINC000016346906 570255967 /nfs/dbraw/zinc/25/59/67/570255967.db2.gz QJAOQPLQVSUZDL-UHFFFAOYSA-N 0 0 271.747 5.073 40 0 CKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1Cl ZINC000016346910 570256133 /nfs/dbraw/zinc/25/61/33/570256133.db2.gz FGKLYNRSGXNPGA-UHFFFAOYSA-N 0 0 285.774 5.580 40 0 CKABRN Clc1ccc(CSC2CCCCC2)cc1Cl ZINC000016384752 567872732 /nfs/dbraw/zinc/87/27/32/567872732.db2.gz SFGGTINMEKRXRV-UHFFFAOYSA-N 0 0 275.244 5.559 40 0 CKABRN O=C(CCC1CCCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000016401173 567872424 /nfs/dbraw/zinc/87/24/24/567872424.db2.gz RANOVPQLHOCGSC-UHFFFAOYSA-N 0 0 299.336 5.004 40 0 CKABRN O=C(Nc1ccc(Cl)cc1)OC1CCCCCCC1 ZINC000016428483 567872762 /nfs/dbraw/zinc/87/27/62/567872762.db2.gz OLVGHIRXIXKBTK-UHFFFAOYSA-N 0 0 281.783 5.001 40 0 CKABRN Clc1ccc(CSCc2ccco2)cc1Cl ZINC000016430290 567872642 /nfs/dbraw/zinc/87/26/42/567872642.db2.gz WBCPAGRKYRZMOF-UHFFFAOYSA-N 0 0 273.184 5.020 40 0 CKABRN Clc1ccc(CSCc2ccco2)c(Cl)c1 ZINC000016430293 170697293 /nfs/dbraw/zinc/69/72/93/170697293.db2.gz ZCONLTLKBROLJE-UHFFFAOYSA-N 0 0 273.184 5.020 40 0 CKABRN c1csc(N(c2ccccc2)c2ccccc2)c1 ZINC000016488074 260099314 /nfs/dbraw/zinc/09/93/14/260099314.db2.gz BVSRQQLDLMFUCZ-UHFFFAOYSA-N 0 0 251.354 5.218 40 0 CKABRN c1csc(N2c3ccccc3Sc3ccccc32)c1 ZINC000016524899 567873122 /nfs/dbraw/zinc/87/31/22/567873122.db2.gz NGWKFIFOQLLROZ-UHFFFAOYSA-N 0 0 281.405 5.683 40 0 CKABRN Clc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000016526133 170700889 /nfs/dbraw/zinc/70/08/89/170700889.db2.gz SCVHQNXMTCNIJF-UHFFFAOYSA-N 0 0 279.726 5.301 40 0 CKABRN Clc1ccc(CSCc2cccc3ccccc32)cc1 ZINC000016526333 567872849 /nfs/dbraw/zinc/87/28/49/567872849.db2.gz GAJRUNAPALDDGG-UHFFFAOYSA-N 0 0 298.838 5.927 40 0 CKABRN O=C(Nc1cccc2ccccc21)OC1CCCCCCC1 ZINC000016545012 170701183 /nfs/dbraw/zinc/70/11/83/170701183.db2.gz IPIFXONRQNHTMR-UHFFFAOYSA-N 0 0 297.398 5.501 40 0 CKABRN c1ccc2c3nc(-c4cccc5ccccc54)oc3ccc2c1 ZINC000016545081 170701342 /nfs/dbraw/zinc/70/13/42/170701342.db2.gz IPIGGVQFKPPQJI-UHFFFAOYSA-N 0 0 295.341 5.801 40 0 CKABRN Clc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000016545087 170701129 /nfs/dbraw/zinc/70/11/29/170701129.db2.gz GVNZSTPFSHOWAL-UHFFFAOYSA-N 0 0 279.726 5.301 40 0 CKABRN c1ccc2sc(-c3cccc4ccccc43)nc2c1 ZINC000016545092 567933248 /nfs/dbraw/zinc/93/32/48/567933248.db2.gz OJAHVYRKXZEVCR-UHFFFAOYSA-N 0 0 261.349 5.117 40 0 CKABRN CC(C)C[C@@H](C)[C@@H](C)CC(C)(C)c1ccc(O)cc1 ZINC000016575068 567872959 /nfs/dbraw/zinc/87/29/59/567872959.db2.gz YCVMGVWHMUYRMQ-CABCVRRESA-N 0 0 262.437 5.378 40 0 CKABRN CC(C)C[C@H](C)[C@@H](C)CC(C)(C)c1ccc(O)cc1 ZINC000016575069 567873052 /nfs/dbraw/zinc/87/30/52/567873052.db2.gz YCVMGVWHMUYRMQ-GJZGRUSLSA-N 0 0 262.437 5.378 40 0 CKABRN CC(C)C[C@@H](C)[C@H](C)CC(C)(C)c1ccc(O)cc1 ZINC000016575071 170701815 /nfs/dbraw/zinc/70/18/15/170701815.db2.gz YCVMGVWHMUYRMQ-HUUCEWRRSA-N 0 0 262.437 5.378 40 0 CKABRN CC(C)C[C@H](C)[C@H](C)CC(C)(C)c1ccc(O)cc1 ZINC000016575073 567872980 /nfs/dbraw/zinc/87/29/80/567872980.db2.gz YCVMGVWHMUYRMQ-LSDHHAIUSA-N 0 0 262.437 5.378 40 0 CKABRN CC(C)c1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000016575960 567938525 /nfs/dbraw/zinc/93/85/25/567938525.db2.gz SNYSBUHSHZGKTO-UHFFFAOYSA-N 0 0 279.383 5.742 40 0 CKABRN CC(C)c1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000016575986 567938534 /nfs/dbraw/zinc/93/85/34/567938534.db2.gz LEEDZRJVJUZKEE-UHFFFAOYSA-N 0 0 293.410 5.916 40 0 CKABRN CC(C)c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000016575995 170701553 /nfs/dbraw/zinc/70/15/53/170701553.db2.gz BSIFJKPSCIICRY-UHFFFAOYSA-N 0 0 271.747 5.272 40 0 CKABRN CC1(C)c2ccccc2Nc2c3ccccc3ccc21 ZINC000016605550 567873300 /nfs/dbraw/zinc/87/33/00/567873300.db2.gz INOUGZANPPSCPQ-UHFFFAOYSA-N 0 0 259.352 5.223 40 0 CKABRN CCCCCCc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000016638430 170706726 /nfs/dbraw/zinc/70/67/26/170706726.db2.gz UVFQWEXOPZTYPS-UHFFFAOYSA-N 0 0 295.426 5.370 40 0 CKABRN CCCCCCc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000016638434 170706632 /nfs/dbraw/zinc/70/66/32/170706632.db2.gz WBBIZRHEKSRCGI-UHFFFAOYSA-N 0 0 299.389 5.201 40 0 CKABRN CCCCCCc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000016638436 567873474 /nfs/dbraw/zinc/87/34/74/567873474.db2.gz CZHCPTFOSSUAMZ-UHFFFAOYSA-N 0 0 295.426 5.370 40 0 CKABRN CCCCSCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016639384 567873357 /nfs/dbraw/zinc/87/33/57/567873357.db2.gz PGDIFJRRLYPRAN-UHFFFAOYSA-N 0 0 284.424 5.070 40 0 CKABRN CCCCCCn1c2ccccc2nc1-c1cccs1 ZINC000016740574 567873612 /nfs/dbraw/zinc/87/36/12/567873612.db2.gz ABXSWQSDZXDEKY-UHFFFAOYSA-N 0 0 284.428 5.345 40 0 CKABRN CCCC[C@@H](CC)CN(C[C@@H](CC)CCCC)N=O ZINC000016890766 567873929 /nfs/dbraw/zinc/87/39/29/567873929.db2.gz UFHOJUCQFPVXMJ-IYBDPMFKSA-N 0 0 270.461 5.403 40 0 CKABRN CCCC[C@H](/C=C\c1ccc2ccccc2n1)CC ZINC000016890815 170713892 /nfs/dbraw/zinc/71/38/92/170713892.db2.gz BSFNHJSMFAEMEH-BMOGTNHUSA-N 0 0 253.389 5.464 40 0 CKABRN CCCC[C@@H](/C=C\c1ccc2ccccc2n1)CC ZINC000016890817 567873671 /nfs/dbraw/zinc/87/36/71/567873671.db2.gz BSFNHJSMFAEMEH-HVCHUGMYSA-N 0 0 253.389 5.464 40 0 CKABRN Cc1ccc(S/C=C\Sc2ccc(C)cc2)cc1 ZINC000016891773 170713957 /nfs/dbraw/zinc/71/39/57/170713957.db2.gz KZQYIMSRTSEVAV-QXMHVHEDSA-N 0 0 272.438 5.659 40 0 CKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\c1cc(C)cc(=O)o1 ZINC000016940667 567874184 /nfs/dbraw/zinc/87/41/84/567874184.db2.gz IDONGASDKGNTSU-HUKVCQRGSA-N 0 0 298.426 5.434 40 0 in-vitro CKABRN C(=C\SCc1ccccc1)\SCc1ccccc1 ZINC000016955277 567874032 /nfs/dbraw/zinc/87/40/32/567874032.db2.gz RZVCNFNSLCXUMM-QXMHVHEDSA-N 0 0 272.438 5.324 40 0 CKABRN CCCCCC/C(C)=C(\C)c1cc(OC)cc(OC)c1 ZINC000016955411 567874285 /nfs/dbraw/zinc/87/42/85/567874285.db2.gz PCLWQQJCWYWZFY-CCEZHUSRSA-N 0 0 276.420 5.468 40 0 CKABRN Cc1[nH]c2ccccc2c1/C=C1/c2ccccc2N=C1C ZINC000017004182 570234768 /nfs/dbraw/zinc/23/47/68/570234768.db2.gz QZEAODHCQJHGHR-GZTJUZNOSA-N 0 0 272.351 5.123 40 0 CKABRN Clc1ccccc1/C=C/c1nccc2ccccc12 ZINC000017014063 567934648 /nfs/dbraw/zinc/93/46/48/567934648.db2.gz OCWDQURUJGLNNU-MDZDMXLPSA-N 0 0 265.743 5.059 40 0 CKABRN CCC/C(C)=C(\c1ccccc1)c1ccc(OC)cc1 ZINC000017014927 567874522 /nfs/dbraw/zinc/87/45/22/567874522.db2.gz HOPXMPOVGZBSNY-XDJHFCHBSA-N 0 0 266.384 5.317 40 0 CKABRN C(=C\CSc1ccccc1)\CSc1ccccc1 ZINC000017022127 567874504 /nfs/dbraw/zinc/87/45/04/567874504.db2.gz FJZPSPBGUQSOQX-FPLPWBNLSA-N 0 0 272.438 5.127 40 0 CKABRN CCOc1ccc(OC/C=C(/C)CC/C=C(\C)CC)cc1 ZINC000017022283 170721503 /nfs/dbraw/zinc/72/15/03/170721503.db2.gz XQQGUOIJEULDMD-IUQOYPNNSA-N 0 0 288.431 5.547 40 0 CKABRN CCOc1ccc(OC/C=C(/C)CC/C=C(/C)CC)cc1 ZINC000017022286 567874390 /nfs/dbraw/zinc/87/43/90/567874390.db2.gz XQQGUOIJEULDMD-QQMIWNJYSA-N 0 0 288.431 5.547 40 0 CKABRN CC/C(C)=C\CC/C(C)=C\COc1cccc(OC)c1 ZINC000017022298 567874519 /nfs/dbraw/zinc/87/45/19/567874519.db2.gz FEBHTWSYONBOCW-NVYPFSKLSA-N 0 0 274.404 5.157 40 0 CKABRN CC/C(C)=C/CC/C(C)=C\COc1cccc(OC)c1 ZINC000017022301 567874478 /nfs/dbraw/zinc/87/44/78/567874478.db2.gz FEBHTWSYONBOCW-XEPJXJKASA-N 0 0 274.404 5.157 40 0 CKABRN CC/C(C)=C/CC/C(C)=C/COc1cccc(OC)c1 ZINC000017022304 170721614 /nfs/dbraw/zinc/72/16/14/170721614.db2.gz FEBHTWSYONBOCW-HLETWVSPSA-N 0 0 274.404 5.157 40 0 CKABRN CC/C(C)=C/CC/C(C)=C\COc1ccc(C)cc1 ZINC000017022307 567874635 /nfs/dbraw/zinc/87/46/35/567874635.db2.gz OLSAXLQOVFNUKH-JUBBJYOSSA-N 0 0 258.405 5.457 40 0 CKABRN CC/C(C)=C\CC/C(C)=C/COc1ccc(C)cc1 ZINC000017022310 567874431 /nfs/dbraw/zinc/87/44/31/567874431.db2.gz OLSAXLQOVFNUKH-JMMJUIHSSA-N 0 0 258.405 5.457 40 0 CKABRN CC/C(C)=C/CC/C(C)=C/COc1ccc(C)cc1 ZINC000017022313 567874483 /nfs/dbraw/zinc/87/44/83/567874483.db2.gz OLSAXLQOVFNUKH-HLVCTGTRSA-N 0 0 258.405 5.457 40 0 CKABRN CCCCOP(=O)(/C=C\c1ccccc1)OCCCC ZINC000017023560 567874694 /nfs/dbraw/zinc/87/46/94/567874694.db2.gz ZUPNFVVGFGXAQB-QINSGFPZSA-N 0 0 296.347 5.484 40 0 CKABRN Cc1cccc(-c2nn(C)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017024166 567911350 /nfs/dbraw/zinc/91/13/50/567911350.db2.gz HWEQHSQFQKCWIX-UHFFFAOYSA-N 0 0 296.801 5.024 40 0 CKABRN CCC[C@@H](c1cccc(O)c1)[C@H](CCC)c1cccc(O)c1 ZINC000017108002 570234953 /nfs/dbraw/zinc/23/49/53/570234953.db2.gz OKFPCSHCYFRDHK-BGYRXZFFSA-N 0 0 298.426 5.565 40 0 CKABRN COC1(c2ccccc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000017129387 567874793 /nfs/dbraw/zinc/87/47/93/567874793.db2.gz SUFGJKYKGHLXFF-SWJQRLJCSA-N 0 0 284.443 5.155 40 0 CKABRN CC(=C\c1cc(C)cc(=O)o1)/C=C\C1=C(C)CCCC1(C)C ZINC000017140112 567875060 /nfs/dbraw/zinc/87/50/60/567875060.db2.gz IDONGASDKGNTSU-YDHKZIGXSA-N 0 0 298.426 5.434 40 0 CKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C/c1cc(C)cc(=O)o1 ZINC000017140114 567874774 /nfs/dbraw/zinc/87/47/74/567874774.db2.gz IDONGASDKGNTSU-LSHJULRISA-N 0 0 298.426 5.434 40 0 CKABRN CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OC)cc1 ZINC000017290187 570234844 /nfs/dbraw/zinc/23/48/44/570234844.db2.gz VKVVHAKNGMXJDU-BGYRXZFFSA-N 0 0 298.426 5.391 40 0 CKABRN COC(=O)CCCCCCCC[C@@H](C)c1ccccc1 ZINC000017299613 567875509 /nfs/dbraw/zinc/87/55/09/567875509.db2.gz UYMANYMIQXXKBT-MRXNPFEDSA-N 0 0 276.420 5.084 40 0 CKABRN C[C@H]1C[C@@H](N(N=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000017301428 567875656 /nfs/dbraw/zinc/87/56/56/567875656.db2.gz IYTSPMTUILHVNF-QKPAOTATSA-N 0 0 294.483 5.399 40 0 CKABRN CCCCC/C(=C\c1ccccc1)C1OCC(C)(C)CO1 ZINC000017301958 567875833 /nfs/dbraw/zinc/87/58/33/567875833.db2.gz PZYMPXDDJHUQSD-GHRIWEEISA-N 0 0 288.431 5.049 40 0 CKABRN C/C=C\CSCCCCCCSC/C=C\C ZINC000017312904 567875573 /nfs/dbraw/zinc/87/55/73/567875573.db2.gz LSYRDOIWGLXAIW-GLIMQPGKSA-N 0 0 258.496 5.165 40 0 CKABRN Nc1ccccc1/C=C\C=C1c2ccccc2-c2ccccc21 ZINC000017326629 567875720 /nfs/dbraw/zinc/87/57/20/567875720.db2.gz DUYFIEWIZAGPNS-CLFYSBASSA-N 0 0 295.385 5.394 40 0 CKABRN C[C@@H](O[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017327375 567875729 /nfs/dbraw/zinc/87/57/29/567875729.db2.gz FMIJOAHXNCLOLS-TXEJJXNPSA-N 0 0 295.209 5.832 40 0 CKABRN Fc1ccc([C@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc1 ZINC000017724606 570289373 /nfs/dbraw/zinc/28/93/73/570289373.db2.gz DVSSQOIOQHAJIM-NUEKZKHPSA-N 0 0 288.387 5.033 40 0 CKABRN CCCCC/C(=C/c1ccccc1)C1O[C@H](C)C[C@H](C)O1 ZINC000017861075 567876034 /nfs/dbraw/zinc/87/60/34/567876034.db2.gz RQSCLGLOAFQEQN-OBGDBBNJSA-N 0 0 288.431 5.190 40 0 CKABRN Cc1cc([C@H]2C[C@H]3CC[C@@H]2C3)c(O)c([C@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000018102655 567876614 /nfs/dbraw/zinc/87/66/14/567876614.db2.gz AXOHAQBXUBUNOQ-IZPLOLCNSA-N 0 0 296.454 5.508 40 0 CKABRN Cc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)c(O)c([C@@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC000018144039 170743995 /nfs/dbraw/zinc/74/39/95/170743995.db2.gz AXOHAQBXUBUNOQ-GQLSEVEHSA-N 0 0 296.454 5.508 40 0 CKABRN Cc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)c(O)c([C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000018183294 567876991 /nfs/dbraw/zinc/87/69/91/567876991.db2.gz AXOHAQBXUBUNOQ-CKYTUPMTSA-N 0 0 296.454 5.508 40 0 CKABRN FC(F)(F)c1cccc2sc3ccccc3c21 ZINC000019615938 170830593 /nfs/dbraw/zinc/83/05/93/170830593.db2.gz TXXYRYVOWXBCAE-UHFFFAOYSA-N 0 0 252.260 5.073 40 0 CKABRN c1cc2cccc(OC(c3ccccc3)c3ccccc3)c2[nH]1 ZINC000019721754 567878589 /nfs/dbraw/zinc/87/85/89/567878589.db2.gz RUSLOKVULVVFGQ-UHFFFAOYSA-N 0 0 299.373 5.336 40 0 CKABRN CC(C)c1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000020156646 171039380 /nfs/dbraw/zinc/03/93/80/171039380.db2.gz PPUXZFAUIYQQFP-UHFFFAOYSA-N 0 0 270.763 5.007 40 0 CKABRN CC(C)(C)c1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000020156647 171039259 /nfs/dbraw/zinc/03/92/59/171039259.db2.gz XXPOCMBOUOTMCW-UHFFFAOYSA-N 0 0 284.790 5.181 40 0 CKABRN Clc1ccc(Cl)c(-c2nc3c(cccc3Cl)[nH]2)c1 ZINC000020156691 171039289 /nfs/dbraw/zinc/03/92/89/171039289.db2.gz YBZPEAOLMSMMFA-UHFFFAOYSA-N 0 0 297.572 5.190 40 0 CKABRN Clc1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000020156715 171039174 /nfs/dbraw/zinc/03/91/74/171039174.db2.gz NSNMEXYCZBDDFD-UHFFFAOYSA-N 0 0 297.572 5.190 40 0 CKABRN Clc1ccc(-c2nc3c(cccc3Cl)[nH]2)c(Cl)c1 ZINC000020156722 171039214 /nfs/dbraw/zinc/03/92/14/171039214.db2.gz WMJWBEVAYQZBRX-UHFFFAOYSA-N 0 0 297.572 5.190 40 0 CKABRN Clc1cccc2[nH]c(-c3cccc4ccccc43)nc21 ZINC000020156733 171039370 /nfs/dbraw/zinc/03/93/70/171039370.db2.gz RWUGMYFZYPCWDK-UHFFFAOYSA-N 0 0 278.742 5.037 40 0 CKABRN Clc1cccc2[nH]c(-c3ccc4ccccc4c3)nc21 ZINC000020156735 171039495 /nfs/dbraw/zinc/03/94/95/171039495.db2.gz OQXMDCQDTPAPRP-UHFFFAOYSA-N 0 0 278.742 5.037 40 0 CKABRN Clc1ccc(-c2ccc(CNc3ccccc3)o2)cc1 ZINC000020157636 171039459 /nfs/dbraw/zinc/03/94/59/171039459.db2.gz WVQAZHAKXRDZNT-UHFFFAOYSA-N 0 0 283.758 5.212 40 0 CKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CCC(C)=O ZINC000020231617 171094523 /nfs/dbraw/zinc/09/45/23/171094523.db2.gz LTUMRKDLVGQMJU-ADPXBSPTSA-N 0 0 262.437 5.775 40 0 CKABRN FC(F)(F)c1ccccc1Nc1nc2ccccc2s1 ZINC000020303606 171140595 /nfs/dbraw/zinc/14/05/95/171140595.db2.gz WFYGBCVCKDFBCD-UHFFFAOYSA-N 0 0 294.301 5.059 40 0 CKABRN Clc1cc(Cl)cc(Nc2nc3ccccc3s2)c1 ZINC000020303617 171140452 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c1ccc(Nc2cccc(NC3CCCCC3)c2)cc1 ZINC000022013628 171349104 /nfs/dbraw/zinc/34/91/04/171349104.db2.gz FZKHUVISUZKIFX-UHFFFAOYSA-N 0 0 266.388 5.175 40 0 CKABRN CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1 ZINC000022148134 171357669 /nfs/dbraw/zinc/35/76/69/171357669.db2.gz MOULEYFTCXWCJF-UHFFFAOYSA-N 0 0 296.197 5.004 40 0 CKABRN COC1=CC2=CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000025627747 567949243 /nfs/dbraw/zinc/94/92/43/567949243.db2.gz JPXLBSACCQTJJU-HVTWWXFQSA-N 0 0 286.459 5.480 40 0 CKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C ZINC000026522805 570232511 /nfs/dbraw/zinc/23/25/11/570232511.db2.gz NKZXENWRNSFQDO-PINIEARGSA-N 0 0 278.480 5.048 40 0 CKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000026522808 171491086 /nfs/dbraw/zinc/49/10/86/171491086.db2.gz NKZXENWRNSFQDO-XOLCEVTISA-N 0 0 278.480 5.048 40 0 in-vitro CKABRN c1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000026897364 567883055 /nfs/dbraw/zinc/88/30/55/567883055.db2.gz GAAAZLAWPPVHHL-UHFFFAOYSA-N 0 0 296.373 5.206 40 0 CKABRN COc1ccc(C(=C(F)F)c2cccc3ccccc32)cc1 ZINC000026897473 570356888 /nfs/dbraw/zinc/35/68/88/570356888.db2.gz LMIXEEKFNDERCN-UHFFFAOYSA-N 0 0 296.316 5.504 40 0 CKABRN CCCC/C=C/C(=C(F)F)c1ccc(OC)cc1 ZINC000026897492 570356878 /nfs/dbraw/zinc/35/68/78/570356878.db2.gz MCYCANKEQCKEBD-VOTSOKGWSA-N 0 0 252.304 5.049 40 0 CKABRN COc1ccc(C(/C=C/c2ccc(F)cc2)=C(F)F)cc1 ZINC000026897494 570356902 /nfs/dbraw/zinc/35/69/02/570356902.db2.gz TTWOGPXHMBAJKZ-NYYWCZLTSA-N 0 0 290.284 5.155 40 0 CKABRN CC/C=C\C=C/C=C\C=C\CCCCCCCC(=O)OC ZINC000027644930 567883575 /nfs/dbraw/zinc/88/35/75/567883575.db2.gz JOSZZTLGHRSLOI-ZDBHJJNLSA-N 0 0 290.447 5.525 40 0 in-vitro CKABRN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)CC ZINC000027645203 171526506 /nfs/dbraw/zinc/52/65/06/171526506.db2.gz CUXSRPVLINXMLY-AFSLFLIVSA-N 0 0 288.475 6.331 40 0 in-vitro CKABRN CC[C@@H](C)CCCCCCCCCCCCCC(=O)OC ZINC000028631443 567883972 /nfs/dbraw/zinc/88/39/72/567883972.db2.gz 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567885270 /nfs/dbraw/zinc/88/52/70/567885270.db2.gz DUEISSADQQGZIN-CYBMUJFWSA-N 0 0 296.439 5.369 40 0 CKABRN CC[C@H](C)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000031903425 567885288 /nfs/dbraw/zinc/88/52/88/567885288.db2.gz DUEISSADQQGZIN-ZDUSSCGKSA-N 0 0 296.439 5.369 40 0 CKABRN CCCC/C=C\CC/C=C\CCCCCCOC(C)=O ZINC000031982684 570345317 /nfs/dbraw/zinc/34/53/17/570345317.db2.gz BXJHOKLLMOYSRQ-QOXWLJPHSA-N 0 0 280.452 5.583 40 0 CKABRN CCCC/C=C/CC/C=C\CCCCCCOC(C)=O ZINC000031982687 566962196 /nfs/dbraw/zinc/96/21/96/566962196.db2.gz BXJHOKLLMOYSRQ-WFKFFMJQSA-N 0 0 280.452 5.583 40 0 CKABRN CCCC/C=C\CC/C=C/CCCCCCOC(C)=O ZINC000031982693 567885390 /nfs/dbraw/zinc/88/53/90/567885390.db2.gz BXJHOKLLMOYSRQ-JFEAUALZSA-N 0 0 280.452 5.583 40 0 CKABRN CCOc1ccc(-c2nc(C)sc2-c2ccccc2)cc1 ZINC000032131501 567885954 /nfs/dbraw/zinc/88/59/54/567885954.db2.gz RYRXMUDKUUGLJD-UHFFFAOYSA-N 0 0 295.407 5.184 40 0 CKABRN CCCOc1ccccc1CNc1cccc(Cl)c1C ZINC000032145951 567955859 /nfs/dbraw/zinc/95/58/59/567955859.db2.gz KFVLLBDVPLPPTK-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN CCCOc1ccccc1CNc1cc(Cl)ccc1C ZINC000032145955 256797957 /nfs/dbraw/zinc/79/79/57/256797957.db2.gz BAFAVTAKXOWGHT-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN CCCOc1ccccc1CNc1ccc(C)c(Cl)c1 ZINC000032145961 256798140 /nfs/dbraw/zinc/79/81/40/256798140.db2.gz GUYBRWUEAPBVQF-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN CCCOc1cccc(CNc2cccc(Cl)c2C)c1 ZINC000032146008 567955681 /nfs/dbraw/zinc/95/56/81/567955681.db2.gz QGMJMVULDXWVID-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN CCCOc1cccc(CNc2cc(Cl)ccc2C)c1 ZINC000032146012 567955837 /nfs/dbraw/zinc/95/58/37/567955837.db2.gz RZXQJERGRHLONL-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN CCCOc1cccc(CNc2ccc(C)c(Cl)c2)c1 ZINC000032146020 567955926 /nfs/dbraw/zinc/95/59/26/567955926.db2.gz PMGBQRFGGWFYEI-UHFFFAOYSA-N 0 0 289.806 5.049 40 0 CKABRN Cc1sc(Nc2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000032158219 256797635 /nfs/dbraw/zinc/79/76/35/256797635.db2.gz DRDHIJIVXZQJES-UHFFFAOYSA-N 0 0 294.423 5.479 40 0 CKABRN Cc1sc(Nc2ccccc2)nc1-c1cc(C)ccc1C ZINC000032158222 567956023 /nfs/dbraw/zinc/95/60/23/567956023.db2.gz ZCQREPVUTNLYNR-UHFFFAOYSA-N 0 0 294.423 5.479 40 0 CKABRN CCOc1cccc(CNc2ccc(Cl)c(Cl)c2)c1 ZINC000032160053 567955997 /nfs/dbraw/zinc/95/59/97/567955997.db2.gz SGZNNRJBBDLSJL-UHFFFAOYSA-N 0 0 296.197 5.004 40 0 CKABRN CCOc1cccc(CNc2ccc(Cl)cc2Cl)c1 ZINC000032160055 567956027 /nfs/dbraw/zinc/95/60/27/567956027.db2.gz FHBROFQGYKZYAV-UHFFFAOYSA-N 0 0 296.197 5.004 40 0 CKABRN O=C(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000032178776 567885804 /nfs/dbraw/zinc/88/58/04/567885804.db2.gz QKJIFHFYZXQGIA-UHFFFAOYSA-N 0 0 299.584 5.072 40 0 CKABRN Clc1ccc(-c2cc3cc(Cl)ccc3o2)cc1 ZINC000032266822 171722539 /nfs/dbraw/zinc/72/25/39/171722539.db2.gz YKERDEPLKGGNOW-UHFFFAOYSA-N 0 0 263.123 5.407 40 0 CKABRN c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000032273193 567956014 /nfs/dbraw/zinc/95/60/14/567956014.db2.gz DQJYXWVSPPYNAA-UHFFFAOYSA-N 0 0 295.385 5.811 40 0 CKABRN C(=C/c1ccc(/C=C\c2ccccc2)cc1)\c1ccccc1 ZINC000033354689 567886825 /nfs/dbraw/zinc/88/68/25/567886825.db2.gz IJAAWBHHXIWAHM-HEEUSZRZSA-N 0 0 282.386 6.027 40 0 CKABRN Clc1cccc2sc(Sc3ccccc3)nc21 ZINC000033506550 171808719 /nfs/dbraw/zinc/80/87/19/171808719.db2.gz CXNIKATUXOZKJB-UHFFFAOYSA-N 0 0 277.801 5.101 40 0 CKABRN CCCCOC(CCCC)(OCCCC)OCCCC ZINC000033605131 567886715 /nfs/dbraw/zinc/88/67/15/567886715.db2.gz YUIXLOBIXABLRJ-UHFFFAOYSA-N 0 0 288.472 5.281 40 0 CKABRN CCCCCC1CCC(c2ccc(OCC)cc2)CC1 ZINC000033607928 566970390 /nfs/dbraw/zinc/97/03/90/566970390.db2.gz GJHKWLSRHNWTAN-UHFFFAOYSA-N 0 0 274.448 5.939 40 0 CKABRN C/C(=C/CO)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000033833296 567887155 /nfs/dbraw/zinc/88/71/55/567887155.db2.gz BOTWFXYSPFMFNR-XKUXXELXSA-N 0 0 296.539 6.364 40 0 CKABRN C/C(=C/CO)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000033833297 567948846 /nfs/dbraw/zinc/94/88/46/567948846.db2.gz BOTWFXYSPFMFNR-ITKMZDMZSA-N 0 0 296.539 6.364 40 0 CKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\CO ZINC000033838912 566961906 /nfs/dbraw/zinc/96/19/06/566961906.db2.gz FPIPGXGPPPQFEQ-BOOMUCAASA-N 0 0 286.459 5.510 40 0 in-vitro CKABRN CCCCC/C=C/C/C=C/C/C=C/CCCCCO ZINC000033839903 567887156 /nfs/dbraw/zinc/88/71/56/567887156.db2.gz WFYSUQMCIPGKKK-YHTMAJSVSA-N 0 0 264.453 5.568 40 0 CKABRN CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC ZINC000033842185 567887038 /nfs/dbraw/zinc/88/70/38/567887038.db2.gz DVWSXZIHSUZZKJ-JSIPCRQOSA-N 0 0 292.463 5.749 40 0 CKABRN C/C=C/CC(C/C=C/C)(C/C=C/C)c1ccncc1 ZINC000033953734 567083721 /nfs/dbraw/zinc/08/37/21/567083721.db2.gz IZDCTQDGYOSQRY-OTWDQPKHSA-N 0 0 255.405 5.218 40 0 CKABRN CCCC/C=C\CCCCCCCCCCCCO ZINC000033954865 567887019 /nfs/dbraw/zinc/88/70/19/567887019.db2.gz XHJRPRSNHKNGLW-WAYWQWQTSA-N 0 0 268.485 6.016 40 0 in-vitro CKABRN c1ccc(SCc2cccc3ccccc32)cc1 ZINC000034086245 567944039 /nfs/dbraw/zinc/94/40/39/567944039.db2.gz QSISGDJTBJYWPZ-UHFFFAOYSA-N 0 0 250.366 5.132 40 0 CKABRN CCCCCOP(OCCCCC)OCCCCC ZINC000034128382 567887118 /nfs/dbraw/zinc/88/71/18/567887118.db2.gz CVWUIWZKLYGDNJ-UHFFFAOYSA-N 0 0 292.400 5.834 40 0 CKABRN CCCC1CCC(CCC2CCC(=O)CC2)CC1 ZINC000034305488 567887040 /nfs/dbraw/zinc/88/70/40/567887040.db2.gz OLRRTAGESHHXPY-UHFFFAOYSA-N 0 0 250.426 5.132 40 0 CKABRN COc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000034361703 567063271 /nfs/dbraw/zinc/06/32/71/567063271.db2.gz KXPUYDGZOZPPLU-UHFFFAOYSA-N 0 0 289.378 5.473 40 0 CKABRN CC(C)(C)c1cc(C(C)(C)C)c(C=O)c(C(C)(C)C)c1 ZINC000034572689 567845616 /nfs/dbraw/zinc/84/56/16/567845616.db2.gz QXSJITOTIDBAQO-UHFFFAOYSA-N 0 0 274.448 5.392 40 0 CKABRN Clc1ccc(CSc2ccc3ccccc3c2)cn1 ZINC000035122118 171991859 /nfs/dbraw/zinc/99/18/59/171991859.db2.gz BALWBWZZBABBNO-UHFFFAOYSA-N 0 0 285.799 5.181 40 0 CKABRN Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(C)cc1 ZINC000035167047 172027243 /nfs/dbraw/zinc/02/72/43/172027243.db2.gz VBYYITYXVXYDMS-UHFFFAOYSA-N 0 0 298.386 5.310 40 0 CKABRN Clc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000035731076 172381669 /nfs/dbraw/zinc/38/16/69/172381669.db2.gz SLVPUIMTVXNLFL-UHFFFAOYSA-N 0 0 290.149 5.334 40 0 CKABRN COc1cccc(CCC[C@H](C)CCCC(C)C)c1OC ZINC000035973614 172427041 /nfs/dbraw/zinc/42/70/41/172427041.db2.gz NQTYENCYXNCUNA-MRXNPFEDSA-N 0 0 292.463 5.489 40 0 CKABRN COc1cccc(CCC[C@@H](C)CCCC(C)C)c1OC ZINC000035973615 567902636 /nfs/dbraw/zinc/90/26/36/567902636.db2.gz NQTYENCYXNCUNA-INIZCTEOSA-N 0 0 292.463 5.489 40 0 CKABRN CC(C)(C)c1csc(Nc2cccc3ccccc32)n1 ZINC000036159661 172480146 /nfs/dbraw/zinc/48/01/46/172480146.db2.gz TXEFBOQHGSOELC-UHFFFAOYSA-N 0 0 282.412 5.337 40 0 in-vivo CKABRN Clc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1 ZINC000036159921 570233721 /nfs/dbraw/zinc/23/37/21/570233721.db2.gz JMYNPQVCVQVODQ-OWOJBTEDSA-N 0 0 283.585 5.817 40 0 in-vitro CKABRN Brc1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000036451521 567906351 /nfs/dbraw/zinc/90/63/51/567906351.db2.gz WUBRVLIZSPCIBS-UHFFFAOYSA-N 0 0 299.167 5.376 40 0 CKABRN Clc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000036461379 567084022 /nfs/dbraw/zinc/08/40/22/567084022.db2.gz PHNSSEFYIUTDLI-UHFFFAOYSA-N 0 0 279.770 5.751 40 0 CKABRN COc1ccc2cc(-c3ccc(Cl)cc3)ccc2c1 ZINC000036532557 172638618 /nfs/dbraw/zinc/63/86/18/172638618.db2.gz GAYKDWQALHEEGB-UHFFFAOYSA-N 0 0 268.743 5.169 40 0 CKABRN Clc1ccccc1/C=C/c1ccnc2ccccc12 ZINC000037868684 567927411 /nfs/dbraw/zinc/92/74/11/567927411.db2.gz DVQQCTSFLJNTCY-MDZDMXLPSA-N 0 0 265.743 5.059 40 0 in-vitro CKABRN Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1C ZINC000037868881 173814776 /nfs/dbraw/zinc/81/47/76/173814776.db2.gz ZSAQYCPABZZALP-UHFFFAOYSA-N 0 0 259.352 5.032 40 0 CKABRN Cc1ccc2nc(-c3ccc4ccccc4c3)sc2c1 ZINC000038189823 174135706 /nfs/dbraw/zinc/13/57/06/174135706.db2.gz SBQYNXDKGZBGEQ-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN CC(C)(C)c1cc(C(C)(C)C)c(NO)c(C(C)(C)C)c1 ZINC000038242188 174137627 /nfs/dbraw/zinc/13/76/27/174137627.db2.gz NQSHWNIXHZOYMR-UHFFFAOYSA-N 0 0 277.452 5.380 40 0 CKABRN c1ccc(-c2ncc3ccccc3c2-c2ccccc2)cc1 ZINC000038264990 174138048 /nfs/dbraw/zinc/13/80/48/174138048.db2.gz QHFUKURHZOIMPE-UHFFFAOYSA-N 0 0 281.358 5.569 40 0 CKABRN Brc1ccc(-c2c[nH]c(-c3ccccc3)c2)cc1 ZINC000038316480 174139329 /nfs/dbraw/zinc/13/93/29/174139329.db2.gz LCICRFUIFZQWDE-UHFFFAOYSA-N 0 0 298.183 5.111 40 0 CKABRN CC[C@](C)(O)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C ZINC000038655889 174151259 /nfs/dbraw/zinc/15/12/59/174151259.db2.gz SAHYANTVORDRQI-TWOUZSEPSA-N 0 0 292.507 6.347 40 0 CKABRN CC(/C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(C)=C/CO ZINC000038657182 174151680 /nfs/dbraw/zinc/15/16/80/174151680.db2.gz FPIPGXGPPPQFEQ-PZNZPNBUSA-N 0 0 286.459 5.510 40 0 world CKABRN CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)OC ZINC000038683897 174152472 /nfs/dbraw/zinc/15/24/72/174152472.db2.gz JOSZZTLGHRSLOI-CXSCBKOLSA-N 0 0 290.447 5.525 40 0 in-vitro CKABRN CCCCCC[C@@H](C)CCCCCCCCC(=O)OC ZINC000038779717 174155214 /nfs/dbraw/zinc/15/52/14/174155214.db2.gz WSFXDGJCECYESJ-QGZVFWFLSA-N 0 0 284.484 5.887 40 0 CKABRN CCCCCC[C@H](C)CCCCCCCCC(=O)OC ZINC000038779720 174155449 /nfs/dbraw/zinc/15/54/49/174155449.db2.gz WSFXDGJCECYESJ-KRWDZBQOSA-N 0 0 284.484 5.887 40 0 CKABRN Cc1cc(C)cc(N(c2ccccc2)c2ccccc2)c1 ZINC000038979626 174160652 /nfs/dbraw/zinc/16/06/52/174160652.db2.gz LALSDZUUMUYHPO-UHFFFAOYSA-N 0 0 273.379 5.773 40 0 CKABRN Clc1cccc(Cl)c1-c1cc2ccccc2o1 ZINC000039208773 174165765 /nfs/dbraw/zinc/16/57/65/174165765.db2.gz GDSHJPORAABXQE-UHFFFAOYSA-N 0 0 263.123 5.407 40 0 CKABRN Clc1ccc(-c2cc3ccccc3o2)c(Cl)c1 ZINC000039219275 174166095 /nfs/dbraw/zinc/16/60/95/174166095.db2.gz AGRNILYKWYWKSJ-UHFFFAOYSA-N 0 0 263.123 5.407 40 0 CKABRN Clc1ccc(-c2cc3ccccc3o2)cc1Cl ZINC000039219277 174166025 /nfs/dbraw/zinc/16/60/25/174166025.db2.gz LOUGXYWAJKJWGB-UHFFFAOYSA-N 0 0 263.123 5.407 40 0 CKABRN CCCCCCSc1ccc(Br)cc1 ZINC000039241312 174166764 /nfs/dbraw/zinc/16/67/64/174166764.db2.gz AWHCKXNGTIXSAP-UHFFFAOYSA-N 0 0 273.239 5.122 40 0 CKABRN CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N ZINC000039439419 570234709 /nfs/dbraw/zinc/23/47/09/570234709.db2.gz WRBGLNGTYOVAJO-UHFFFAOYSA-N 0 0 269.388 5.308 40 0 CKABRN CCCC(CCC)C1(C2CCCCC2)CCC(=O)CC1 ZINC000039953683 174178004 /nfs/dbraw/zinc/17/80/04/174178004.db2.gz ZSSYHPOIFZEUCK-UHFFFAOYSA-N 0 0 278.480 5.913 40 0 CKABRN Clc1cccc(-c2cc(Cl)c3ccccc3n2)c1 ZINC000039957277 174179774 /nfs/dbraw/zinc/17/97/74/174179774.db2.gz OTFQWZRCJKVELZ-UHFFFAOYSA-N 0 0 274.150 5.209 40 0 CKABRN Fc1ccc2c(Cl)cc(-c3ccccc3Cl)nc2c1 ZINC000039957278 174179763 /nfs/dbraw/zinc/17/97/63/174179763.db2.gz KWUQFKQRRXGUJD-UHFFFAOYSA-N 0 0 292.140 5.348 40 0 CKABRN CCC/C=C/c1cc2c(cc(CC=C(C)C)c(O)c2C=O)o1 ZINC000040393546 174252502 /nfs/dbraw/zinc/25/25/02/174252502.db2.gz SBYYFNVKZGJIPR-VOTSOKGWSA-N 0 0 298.382 5.273 40 0 biogenic,in-vitro CKABRN c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000040542351 174323208 /nfs/dbraw/zinc/32/32/08/174323208.db2.gz ZGTVPPJHDVQXEB-UHFFFAOYSA-N 0 0 271.319 5.162 40 0 CKABRN c1ccc2c(c1)cccc2CNc1cccc2ccccc21 ZINC000041579105 174570456 /nfs/dbraw/zinc/57/04/56/174570456.db2.gz PETNJORCNWGMGS-UHFFFAOYSA-N 0 0 283.374 5.605 40 0 CKABRN O=C(CCCCC1CCCCC1)c1ccnc(Cl)c1 ZINC000043210629 567043388 /nfs/dbraw/zinc/04/33/88/567043388.db2.gz MYSDPGYEGDKSHL-UHFFFAOYSA-N 0 0 279.811 5.058 40 0 CKABRN CCCc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1 ZINC000043505061 175059515 /nfs/dbraw/zinc/05/95/15/175059515.db2.gz RXOMVSMMNBCJJO-UHFFFAOYSA-N 0 0 292.300 5.051 40 0 CKABRN CCCC1CCC(c2ccc(OC)c(F)c2F)CC1 ZINC000044137017 175146071 /nfs/dbraw/zinc/14/60/71/175146071.db2.gz IMPPBANBBAQKPL-UHFFFAOYSA-N 0 0 268.347 5.047 40 0 CKABRN CCCCCC1CCC(c2ccc(OC)c(F)c2F)CC1 ZINC000044137020 175145989 /nfs/dbraw/zinc/14/59/89/175145989.db2.gz CZAXFMSQELIWGA-UHFFFAOYSA-N 0 0 296.401 5.828 40 0 CKABRN CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1 ZINC000044137044 175146034 /nfs/dbraw/zinc/14/60/34/175146034.db2.gz BOAHGIPRRKDVQY-UHFFFAOYSA-N 0 0 282.374 5.437 40 0 CKABRN CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044146188 175146442 /nfs/dbraw/zinc/14/64/42/175146442.db2.gz WHBCCYZKPFWPLU-UHFFFAOYSA-N 0 0 272.391 5.431 40 0 CKABRN CC1=C(C)[C@H](C)[C@@]2(C)N(c3ccccc3)N=N[C@]2(C)[C@@H]1C ZINC000045069979 567923279 /nfs/dbraw/zinc/92/32/79/567923279.db2.gz ZUTROBHNHWKSIN-CYGHRXIMSA-N 0 0 283.419 5.013 40 0 CKABRN CC1=C(C)[C@H](C)[C@@]2(C)N(c3ccccc3)N=N[C@]2(C)[C@H]1C ZINC000045069982 567923309 /nfs/dbraw/zinc/92/33/09/567923309.db2.gz ZUTROBHNHWKSIN-CWLKWCNXSA-N 0 0 283.419 5.013 40 0 CKABRN CC1=C(C)[C@@H](C)[C@@]2(C)N(c3ccccc3)N=N[C@]2(C)[C@@H]1C ZINC000045069985 567923364 /nfs/dbraw/zinc/92/33/64/567923364.db2.gz ZUTROBHNHWKSIN-JOCBIADPSA-N 0 0 283.419 5.013 40 0 CKABRN CC1=C(C)[C@H](C)[C@@]2(C)N=NN(c3ccccc3)[C@]2(C)[C@@H]1C ZINC000045069988 567923233 /nfs/dbraw/zinc/92/32/33/567923233.db2.gz ZUTROBHNHWKSIN-BURFUSLBSA-N 0 0 283.419 5.013 40 0 CKABRN Clc1cc(Cl)c(Cl)c(-c2nc3ccccc3o2)c1 ZINC000045919887 175386597 /nfs/dbraw/zinc/38/65/97/175386597.db2.gz YZCKYQRMQMGVCZ-UHFFFAOYSA-N 0 0 298.556 5.455 40 0 CKABRN Clc1cc(-c2nc3ccccc3o2)cc(Cl)c1Cl ZINC000045919891 175386736 /nfs/dbraw/zinc/38/67/36/175386736.db2.gz KAPVDSMQBRIQRA-UHFFFAOYSA-N 0 0 298.556 5.455 40 0 CKABRN CC(C)c1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000045919983 175386571 /nfs/dbraw/zinc/38/65/71/175386571.db2.gz NEYRUUWGYCUIAE-UHFFFAOYSA-N 0 0 271.360 5.226 40 0 CKABRN CC(C)(C)c1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000045919985 175386601 /nfs/dbraw/zinc/38/66/01/175386601.db2.gz FQTYNYTZUIVOQR-UHFFFAOYSA-N 0 0 285.387 5.400 40 0 CKABRN Fc1ccc2nc(-c3cccc4ccccc43)sc2c1 ZINC000045919991 175386494 /nfs/dbraw/zinc/38/64/94/175386494.db2.gz QWPFSRPLKDACEJ-UHFFFAOYSA-N 0 0 279.339 5.256 40 0 CKABRN Fc1ccc2nc(-c3ccc4ccccc4c3)sc2c1 ZINC000045919997 175386777 /nfs/dbraw/zinc/38/67/77/175386777.db2.gz XCTRVRWXWUSRNG-UHFFFAOYSA-N 0 0 279.339 5.256 40 0 CKABRN Fc1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000045920072 175386751 /nfs/dbraw/zinc/38/67/51/175386751.db2.gz BTRULZHDOPENOY-UHFFFAOYSA-N 0 0 298.169 5.409 40 0 CKABRN Fc1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000045920074 175386642 /nfs/dbraw/zinc/38/66/42/175386642.db2.gz YUNCPGBTTJVEOD-UHFFFAOYSA-N 0 0 298.169 5.409 40 0 CKABRN Fc1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000045920076 175386514 /nfs/dbraw/zinc/38/65/14/175386514.db2.gz HBJGUBJBXAIBIO-UHFFFAOYSA-N 0 0 298.169 5.409 40 0 CKABRN Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000045920078 175386772 /nfs/dbraw/zinc/38/67/72/175386772.db2.gz ULAOJFXYESOXHE-UHFFFAOYSA-N 0 0 298.169 5.409 40 0 CKABRN Cc1ccc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045920082 175386783 /nfs/dbraw/zinc/38/67/83/175386783.db2.gz PTZXRLAJQNJRJM-UHFFFAOYSA-N 0 0 277.751 5.064 40 0 CKABRN CCc1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920858 175386651 /nfs/dbraw/zinc/38/66/51/175386651.db2.gz HYYVHAOCXNSAIX-UHFFFAOYSA-N 0 0 273.788 5.179 40 0 CKABRN CC(C)c1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920861 175386602 /nfs/dbraw/zinc/38/66/02/175386602.db2.gz BTYJBZVPYPYEQQ-UHFFFAOYSA-N 0 0 287.815 5.740 40 0 CKABRN Cc1ccc(-c2nc3c(cccc3Cl)s2)cc1C ZINC000045920867 175386664 /nfs/dbraw/zinc/38/66/64/175386664.db2.gz IUIOCWYSUOMMKD-UHFFFAOYSA-N 0 0 273.788 5.234 40 0 CKABRN Clc1cccc2sc(-c3cccc4ccccc43)nc21 ZINC000045920893 175386555 /nfs/dbraw/zinc/38/65/55/175386555.db2.gz QODNHRCTAJSTCK-UHFFFAOYSA-N 0 0 295.794 5.770 40 0 CKABRN Clc1cccc2sc(-c3ccc4ccccc4c3)nc21 ZINC000045920902 175386590 /nfs/dbraw/zinc/38/65/90/175386590.db2.gz NMLFDJKBLPTQMV-UHFFFAOYSA-N 0 0 295.794 5.770 40 0 CKABRN Clc1ccc(Cc2nc3c(cccc3Cl)s2)cc1 ZINC000045920908 175386698 /nfs/dbraw/zinc/38/66/98/175386698.db2.gz ULVSDDFSLPXCMO-UHFFFAOYSA-N 0 0 294.206 5.194 40 0 CKABRN Clc1cccc2sc(-c3ccccc3Cl)nc21 ZINC000045920914 175386752 /nfs/dbraw/zinc/38/67/52/175386752.db2.gz MKVIWQWGSCDNHC-UHFFFAOYSA-N 0 0 280.179 5.270 40 0 CKABRN Clc1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920922 175386546 /nfs/dbraw/zinc/38/65/46/175386546.db2.gz AJQAOHSDFYHBAR-UHFFFAOYSA-N 0 0 280.179 5.270 40 0 CKABRN Clc1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920934 175386534 /nfs/dbraw/zinc/38/65/34/175386534.db2.gz BJHRELKUBCOKGE-UHFFFAOYSA-N 0 0 280.179 5.270 40 0 CKABRN Cc1ccc(-c2nc3c(cccc3Cl)s2)cc1Cl ZINC000045920939 175386519 /nfs/dbraw/zinc/38/65/19/175386519.db2.gz HCGGZQYJXNGYRC-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1ccc2nc(-c3ccc(C(C)C)cc3)sc2c1 ZINC000045923458 175386909 /nfs/dbraw/zinc/38/69/09/175386909.db2.gz IEYGRRYCLOGOEJ-UHFFFAOYSA-N 0 0 267.397 5.395 40 0 CKABRN Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000045923462 175387093 /nfs/dbraw/zinc/38/70/93/175387093.db2.gz KMWDVZIQOFYBIA-UHFFFAOYSA-N 0 0 281.424 5.569 40 0 CKABRN Cc1ccc2nc(-c3cccc(Cl)c3Cl)sc2c1 ZINC000045923487 175387036 /nfs/dbraw/zinc/38/70/36/175387036.db2.gz DJZYYFKEYCLIKC-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000045923490 175386883 /nfs/dbraw/zinc/38/68/83/175386883.db2.gz IYKUACMPTBPDSO-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000045923493 175386855 /nfs/dbraw/zinc/38/68/55/175386855.db2.gz YLHKBBYGIDHBCU-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000045923497 175387031 /nfs/dbraw/zinc/38/70/31/175387031.db2.gz QBZWTGKCMAVBLL-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1ccc2nc(-c3cccc4ccccc43)sc2c1 ZINC000045923510 175386926 /nfs/dbraw/zinc/38/69/26/175386926.db2.gz UFLGVWBPISYQIA-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN Cc1ccc2nc(-c3ccc(C)c(Cl)c3)sc2c1 ZINC000045923529 175387024 /nfs/dbraw/zinc/38/70/24/175387024.db2.gz ZSVJFJJZDOADDS-UHFFFAOYSA-N 0 0 273.788 5.234 40 0 CKABRN Cc1cccc2sc(-c3ccc(C(C)C)cc3)nc21 ZINC000045946764 175387704 /nfs/dbraw/zinc/38/77/04/175387704.db2.gz MWCQNPCDLPSDBX-UHFFFAOYSA-N 0 0 267.397 5.395 40 0 CKABRN Cc1cccc2sc(-c3ccc(C(C)(C)C)cc3)nc21 ZINC000045946768 175388136 /nfs/dbraw/zinc/38/81/36/175388136.db2.gz KEGMCTLOVBRYRP-UHFFFAOYSA-N 0 0 281.424 5.569 40 0 CKABRN Cc1cccc2sc(-c3ccc(Cl)cc3Cl)nc21 ZINC000045946772 175388148 /nfs/dbraw/zinc/38/81/48/175388148.db2.gz XXEOQBJPYUKKEL-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1cccc2sc(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000045946775 175387936 /nfs/dbraw/zinc/38/79/36/175387936.db2.gz DZJTYMLRADXDEX-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1cccc2sc(-c3cc(Cl)ccc3Cl)nc21 ZINC000045946778 175387909 /nfs/dbraw/zinc/38/79/09/175387909.db2.gz FLKVRTLTSSNOBX-UHFFFAOYSA-N 0 0 294.206 5.579 40 0 CKABRN Cc1cccc2sc(-c3ccc(C)c(Cl)c3)nc21 ZINC000045946789 175387837 /nfs/dbraw/zinc/38/78/37/175387837.db2.gz KBZHOSFWAFBZAV-UHFFFAOYSA-N 0 0 273.788 5.234 40 0 CKABRN Cc1cccc2sc(-c3cccc4ccccc43)nc21 ZINC000045946803 175387787 /nfs/dbraw/zinc/38/77/87/175387787.db2.gz YRMUOJAIZVPWMH-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN Cc1cccc2sc(-c3ccc4ccccc4c3)nc21 ZINC000045946813 175388164 /nfs/dbraw/zinc/38/81/64/175388164.db2.gz PKBDLWDAMOPSDZ-UHFFFAOYSA-N 0 0 275.376 5.425 40 0 CKABRN CC(C)=CCc1c(O)cc(C)cc1Oc1cc(C)cc(O)c1 ZINC000049181638 560084090 /nfs/dbraw/zinc/08/40/90/560084090.db2.gz BWQCFWKDNNIYPP-UHFFFAOYSA-N 0 0 298.382 5.016 40 0 biogenic,in-vitro CKABRN c1ccc2c(c1)cccc2C12CC3CC(CC(C3)C1)C2 ZINC000049949709 567926774 /nfs/dbraw/zinc/92/67/74/567926774.db2.gz QYRNRBTUPRPWOW-UHFFFAOYSA-N 0 0 262.396 5.308 40 0 CKABRN CC(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000051129945 570269845 /nfs/dbraw/zinc/26/98/45/570269845.db2.gz BCWATDFZPIEIIL-UHFFFAOYSA-N 0 0 254.417 5.278 40 0 CKABRN Cc1c(C)c(C2CCCCC2)c(C)c(C)c1C1CCCCC1 ZINC000051139440 567893896 /nfs/dbraw/zinc/89/38/96/567893896.db2.gz SIMKGALCUGQRBH-UHFFFAOYSA-N 0 0 298.514 7.016 40 0 CKABRN Cc1cc(C)c(CC23CC4CC(CC(C4)C2)C3)cc1C ZINC000051139441 567893741 /nfs/dbraw/zinc/89/37/41/567893741.db2.gz VGQGIFSBHIZBDP-UHFFFAOYSA-N 0 0 268.444 5.371 40 0 CKABRN Clc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000055107276 570240545 /nfs/dbraw/zinc/24/05/45/570240545.db2.gz JMFFLPOTNRCUGX-UHFFFAOYSA-N 0 0 281.226 5.461 40 0 CKABRN CCCCCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000055111542 570240300 /nfs/dbraw/zinc/24/03/00/570240300.db2.gz AQGQFAYRXWDTNS-UHFFFAOYSA-N 0 0 258.405 5.497 40 0 CKABRN CCCc1ccc(-c2ccc(Br)cc2F)cc1 ZINC000055161202 570241048 /nfs/dbraw/zinc/24/10/48/570241048.db2.gz DNXBMIIAWYFUQJ-UHFFFAOYSA-N 0 0 293.179 5.208 40 0 CKABRN Cc1ccc(C2CCC(C3CCC(=O)CC3)CC2)cc1 ZINC000055168475 570241109 /nfs/dbraw/zinc/24/11/09/570241109.db2.gz KPISRXVEAOLMIF-UHFFFAOYSA-N 0 0 270.416 5.028 40 0 CKABRN CCCC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000057312122 567103681 /nfs/dbraw/zinc/10/36/81/567103681.db2.gz AJSVNNOWNFFOLB-UHFFFAOYSA-N 0 0 282.427 5.137 40 0 CKABRN CC(C)c1ccc2oc(-c3ccc(F)c(Cl)c3)nc2c1 ZINC000057351582 566978497 /nfs/dbraw/zinc/97/84/97/566978497.db2.gz AAZPTTUMASNCPA-UHFFFAOYSA-N 0 0 289.737 5.411 40 0 CKABRN Fc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1Cl ZINC000057351637 175593403 /nfs/dbraw/zinc/59/34/03/175593403.db2.gz GOBUOTMLFJZAGF-UHFFFAOYSA-N 0 0 297.716 5.441 40 0 CKABRN c1ccc(Cc2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352442 175593416 /nfs/dbraw/zinc/59/34/16/175593416.db2.gz IKRGDZRXZNHGNP-UHFFFAOYSA-N 0 0 299.373 5.009 40 0 CKABRN c1ccc(Cc2cccc3nc(-c4ccccc4)oc32)cc1 ZINC000057352793 566979872 /nfs/dbraw/zinc/97/98/72/566979872.db2.gz GKKNJKFNTCGPQI-UHFFFAOYSA-N 0 0 285.346 5.086 40 0 CKABRN Cc1ccccc1-c1nc2cccc(Cc3ccccc3)c2o1 ZINC000057352794 566979725 /nfs/dbraw/zinc/97/97/25/566979725.db2.gz AXZNJDVMHZYGIQ-UHFFFAOYSA-N 0 0 299.373 5.394 40 0 CKABRN Cc1cccc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 ZINC000057352795 566980220 /nfs/dbraw/zinc/98/02/20/566980220.db2.gz BTTNROWBVSPNJF-UHFFFAOYSA-N 0 0 299.373 5.394 40 0 CKABRN Cc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 ZINC000057352796 175594160 /nfs/dbraw/zinc/59/41/60/175594160.db2.gz FMXLBMPCXKECOQ-UHFFFAOYSA-N 0 0 299.373 5.394 40 0 CKABRN Cc1ccc(SCc2cccc3ccccc32)cc1 ZINC000058835192 256796757 /nfs/dbraw/zinc/79/67/57/256796757.db2.gz KCRLPYSSOSHZBF-UHFFFAOYSA-N 0 0 264.393 5.441 40 0 CKABRN Clc1ccc(SCc2ccccc2Cl)cc1 ZINC000058835195 567823242 /nfs/dbraw/zinc/82/32/42/567823242.db2.gz XFPNSDCASPDYHZ-UHFFFAOYSA-N 0 0 269.196 5.286 40 0 CKABRN Cc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000058835199 567956302 /nfs/dbraw/zinc/95/63/02/567956302.db2.gz OHUJCBDICFJXAH-UHFFFAOYSA-N 0 0 283.223 5.594 40 0 CKABRN Clc1ccccc1CSc1cccc2ccccc21 ZINC000059134326 567956282 /nfs/dbraw/zinc/95/62/82/567956282.db2.gz MOVYDMUWXPVYMO-UHFFFAOYSA-N 0 0 284.811 5.786 40 0 CKABRN CC1(c2ccccc2)c2ccccc2Nc2ccccc21 ZINC000059500744 175632582 /nfs/dbraw/zinc/63/25/82/175632582.db2.gz QDAZMHZHCJUGLN-UHFFFAOYSA-N 0 0 271.363 5.098 40 0 CKABRN C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](F)CC[C@]3(C)[C@H]1CC2 ZINC000059760086 567956143 /nfs/dbraw/zinc/95/61/43/567956143.db2.gz XLQLNZMROXUGRF-UGCZWRCOSA-N 0 0 276.439 5.677 40 0 CKABRN C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](F)CC[C@]3(C)[C@H]1CC2 ZINC000059760087 175633827 /nfs/dbraw/zinc/63/38/27/175633827.db2.gz XLQLNZMROXUGRF-DYKIIFRCSA-N 0 0 276.439 5.677 40 0 CKABRN CCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000059796828 567956334 /nfs/dbraw/zinc/95/63/34/567956334.db2.gz DYBQDZYHNOGWIK-UHFFFAOYSA-N 0 0 296.429 6.567 40 0 CKABRN CCCCCC1CCC(C2CCC(CCC)CC2)CC1 ZINC000059796872 567896721 /nfs/dbraw/zinc/89/67/21/567896721.db2.gz KDVKBFMGDZIYON-UHFFFAOYSA-N 0 0 278.524 6.980 40 0 CKABRN CCCc1ccc(-c2ccc(Br)c(F)c2)cc1 ZINC000059804149 567896974 /nfs/dbraw/zinc/89/69/74/567896974.db2.gz ZFMGWDOHMFHCRB-UHFFFAOYSA-N 0 0 293.179 5.208 40 0 CKABRN CCCCCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000060238909 570217686 /nfs/dbraw/zinc/21/76/86/570217686.db2.gz WNWURTVMKCYRSM-UHFFFAOYSA-N 0 0 259.176 5.147 40 0 CKABRN c1ccc2c(c1)CC[C@H]2CC[C@H]1CCc2ccccc21 ZINC000060316266 567085322 /nfs/dbraw/zinc/08/53/22/567085322.db2.gz JYNCBOFXFFNMAL-HDICACEKSA-N 0 0 262.396 5.227 40 0 CKABRN c1ccc2c(c1)CC[C@H]2CC[C@@H]1CCc2ccccc21 ZINC000060316267 567085550 /nfs/dbraw/zinc/08/55/50/567085550.db2.gz JYNCBOFXFFNMAL-ROUUACIJSA-N 0 0 262.396 5.227 40 0 CKABRN c1ccc2c(c1)CC[C@@H]2CC[C@H]1CCc2ccccc21 ZINC000060316268 567084998 /nfs/dbraw/zinc/08/49/98/567084998.db2.gz JYNCBOFXFFNMAL-QZTJIDSGSA-N 0 0 262.396 5.227 40 0 CKABRN Fc1ccc(-c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000063339351 567897683 /nfs/dbraw/zinc/89/76/83/567897683.db2.gz HLSJIXGPDHPFPG-UHFFFAOYSA-N 0 0 266.290 5.299 40 0 CKABRN Fc1ccc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000063979947 175689785 /nfs/dbraw/zinc/68/97/85/175689785.db2.gz DYNPEOYFYUQCJE-UHFFFAOYSA-N 0 0 274.644 5.165 40 0 CKABRN CCCC/C=C/C=C/CCCCCCCCCC(=O)OC ZINC000064220083 567898080 /nfs/dbraw/zinc/89/80/80/567898080.db2.gz ASXIALQSZTVPEY-BLHCBFLLSA-N 0 0 294.479 5.973 40 0 CKABRN Cc1cccc(C(F)(F)C(F)(F)c2cccc(C)c2)c1 ZINC000064220192 567898156 /nfs/dbraw/zinc/89/81/56/567898156.db2.gz TUUMLHZZEINGKC-UHFFFAOYSA-N 0 0 282.280 5.187 40 0 CKABRN CCCCCC[C@@H](CCC)OCC(=O)c1ccccc1F ZINC000064220242 175690714 /nfs/dbraw/zinc/69/07/14/175690714.db2.gz BPZSYAVWSVAHRM-OAHLLOKOSA-N 0 0 294.410 5.164 40 0 CKABRN CCCCCC[C@H](CCC)OCC(=O)c1ccccc1F ZINC000064220243 567897844 /nfs/dbraw/zinc/89/78/44/567897844.db2.gz BPZSYAVWSVAHRM-HNNXBMFYSA-N 0 0 294.410 5.164 40 0 CKABRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@]3(C)[C@H]1CC2 ZINC000064622577 567897895 /nfs/dbraw/zinc/89/78/95/567897895.db2.gz QZLYKIGBANMMBK-DYKIIFRCSA-N 0 0 260.465 5.809 40 0 in-vitro CKABRN FC(F)=C(c1ccccc1)c1cccc2ccccc21 ZINC000066055346 567112778 /nfs/dbraw/zinc/11/27/78/567112778.db2.gz COTATZPKFQGRBH-UHFFFAOYSA-N 0 0 266.290 5.496 40 0 CKABRN FC(F)=C(c1ccc(F)cc1)c1cccc2ccccc21 ZINC000066055347 567113082 /nfs/dbraw/zinc/11/30/82/567113082.db2.gz JRDDQXZWJKMYRR-UHFFFAOYSA-N 0 0 284.280 5.635 40 0 CKABRN FC(F)=C(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000066055348 567065423 /nfs/dbraw/zinc/06/54/23/567065423.db2.gz HKLGQGJONAEFDI-UHFFFAOYSA-N 0 0 268.665 5.135 40 0 CKABRN Cc1cc(C)cc(C(=C(F)F)c2ccc(Cl)cc2)c1 ZINC000066055349 184570214 /nfs/dbraw/zinc/57/02/14/184570214.db2.gz KELLBCOWQFVJLS-UHFFFAOYSA-N 0 0 278.729 5.613 40 0 CKABRN FC(F)=C(c1ccccc1)c1ccccc1C(F)(F)F ZINC000066055353 567113145 /nfs/dbraw/zinc/11/31/45/567113145.db2.gz DIBQJOQFUDLNFH-UHFFFAOYSA-N 0 0 284.227 5.361 40 0 CKABRN FC(F)=C(/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000066055356 567112242 /nfs/dbraw/zinc/11/22/42/567112242.db2.gz QPTWUBXPZMLNQH-DHZHZOJOSA-N 0 0 260.258 5.147 40 0 CKABRN FC(F)=C(/C=C/c1ccc(F)cc1)c1ccc(F)cc1 ZINC000066055357 184570187 /nfs/dbraw/zinc/57/01/87/184570187.db2.gz POVCCHUIHLQVGL-XCVCLJGOSA-N 0 0 278.248 5.286 40 0 CKABRN CC(C)CC1S[C@H](CC(C)C)N[C@H](CC(C)C)S1 ZINC000066331977 574415382 /nfs/dbraw/zinc/41/53/82/574415382.db2.gz RQGPQWUKHADVPF-YIONKMFJSA-N 0 0 289.554 5.173 40 0 endogenous,in-man CKABRN CC(C)CC1S[C@@H](CC(C)C)N[C@H](CC(C)C)S1 ZINC000066331979 574415384 /nfs/dbraw/zinc/41/53/84/574415384.db2.gz RQGPQWUKHADVPF-KBPBESRZSA-N 0 0 289.554 5.173 40 0 endogenous,in-man CKABRN CC(C)CC1S[C@H](CC(C)C)N[C@@H](CC(C)C)S1 ZINC000066331981 574415401 /nfs/dbraw/zinc/41/54/01/574415401.db2.gz RQGPQWUKHADVPF-ZIAGYGMSSA-N 0 0 289.554 5.173 40 0 endogenous,in-man CKABRN CC(C)=CCC/C(C)=C/C[C@H](O)/C=C(\C)CCC=C(C)C ZINC000066349262 567220421 /nfs/dbraw/zinc/22/04/21/567220421.db2.gz WFTQJNHPQNDNQE-PRFTWSQHSA-N 0 0 290.491 6.123 40 0 CKABRN CC(C)=CCC/C(C)=C/C[C@@H](O)/C=C(\C)CCC=C(C)C ZINC000066349265 567219996 /nfs/dbraw/zinc/21/99/96/567219996.db2.gz WFTQJNHPQNDNQE-WAYIDIRISA-N 0 0 290.491 6.123 40 0 CKABRN CCCCCC1CCC(CCC2CCC(=O)CC2)CC1 ZINC000066352099 567899815 /nfs/dbraw/zinc/89/98/15/567899815.db2.gz ISFMATRVDNBZMP-UHFFFAOYSA-N 0 0 278.480 5.913 40 0 CKABRN ClC1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000066362194 567112648 /nfs/dbraw/zinc/11/26/48/567112648.db2.gz QXLCNJYOTOPRLN-UHFFFAOYSA-N 0 0 276.766 5.198 40 0 CKABRN C(=C(\Cc1ccccc1)c1ccccc1)\c1ccccc1 ZINC000067730109 567900330 /nfs/dbraw/zinc/90/03/30/567900330.db2.gz MPGSUCSBAFDCBN-LTGZKZEYSA-N 0 0 270.375 5.470 40 0 CKABRN Cc1ccc2c(c1C)CC[C@H]1[C@@H]2CC[C@H]2CCCC[C@@]21C ZINC000068562567 567901131 /nfs/dbraw/zinc/90/11/31/567901131.db2.gz AIBYDQVULQUSCX-DBOLQNLKSA-N 0 0 282.471 5.940 40 0 CKABRN Cc1ccc2c(c1C)CC[C@@H]1[C@H]2CC[C@H]2CCCC[C@@]21C ZINC000068562569 567901109 /nfs/dbraw/zinc/90/11/09/567901109.db2.gz AIBYDQVULQUSCX-RCOXNQKVSA-N 0 0 282.471 5.940 40 0 CKABRN Cc1ccc2c(c1C)CC[C@H]1[C@H]2CC[C@H]2CCCC[C@@]21C ZINC000068562573 567901129 /nfs/dbraw/zinc/90/11/29/567901129.db2.gz AIBYDQVULQUSCX-SEVLPDGMSA-N 0 0 282.471 5.940 40 0 CKABRN c1ccc2cc3c(cc2c1)C=Cc1ccccc1CC3 ZINC000068564971 175810462 /nfs/dbraw/zinc/81/04/62/175810462.db2.gz NBJNIQHEACAPHA-UHFFFAOYSA-N 0 0 256.348 5.109 40 0 CKABRN Cc1cc2nc(-c3cc(Cl)ccc3Cl)[nH]c2cc1C ZINC000070461586 567890017 /nfs/dbraw/zinc/89/00/17/567890017.db2.gz PGUOWHMYYAXHDG-UHFFFAOYSA-N 0 0 291.181 5.154 40 0 CKABRN Cc1cc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2cc1C ZINC000070461592 566866293 /nfs/dbraw/zinc/86/62/93/566866293.db2.gz LNRBULKSMKRCGE-UHFFFAOYSA-N 0 0 298.389 5.514 40 0 CKABRN Cc1cc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000070462753 566866121 /nfs/dbraw/zinc/86/61/21/566866121.db2.gz YBNTYXQNMUHYGP-UHFFFAOYSA-N 0 0 278.399 5.144 40 0 CKABRN Cc1cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c(C)c1 ZINC000070462754 566864943 /nfs/dbraw/zinc/86/49/43/566864943.db2.gz DPDCQYVQKRDUDY-UHFFFAOYSA-N 0 0 298.389 5.514 40 0 CKABRN Cc1cc2[nH]c(-c3cccc(Cl)c3Cl)nc2c(C)c1 ZINC000070462770 566865747 /nfs/dbraw/zinc/86/57/47/566865747.db2.gz FYXCLMMQLKJOHW-UHFFFAOYSA-N 0 0 291.181 5.154 40 0 CKABRN Cc1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(C)c1 ZINC000070462771 566866109 /nfs/dbraw/zinc/86/61/09/566866109.db2.gz DLGAOQVFLXQJCQ-UHFFFAOYSA-N 0 0 291.181 5.154 40 0 CKABRN Cc1cc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c(C)c1 ZINC000070462772 566864577 /nfs/dbraw/zinc/86/45/77/566864577.db2.gz IRPFSHGBCSCXAB-UHFFFAOYSA-N 0 0 291.181 5.154 40 0 CKABRN Cc1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000070462773 566866235 /nfs/dbraw/zinc/86/62/35/566866235.db2.gz IRIJWAWBUODBDR-UHFFFAOYSA-N 0 0 291.181 5.154 40 0 CKABRN Cc1nc2ccc(Br)cc2c(Cl)c1C(C)C ZINC000071084758 567893567 /nfs/dbraw/zinc/89/35/67/567893567.db2.gz SAJMCPZNZHKONB-UHFFFAOYSA-N 0 0 298.611 5.083 40 0 CKABRN Clc1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000071234002 567084430 /nfs/dbraw/zinc/08/44/30/567084430.db2.gz VDGRJVCCCQRRJO-UHFFFAOYSA-N 0 0 284.811 5.786 40 0 CKABRN 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179048001 /nfs/dbraw/zinc/04/80/01/179048001.db2.gz XYPOQUGCLVSRQQ-LLVKDONJSA-N 0 0 293.204 5.088 40 0 CKABRN CCO[C@@H](CC)c1ccc(Br)c2ccccc21 ZINC000085391229 179047983 /nfs/dbraw/zinc/04/79/83/179047983.db2.gz AQMGCDLOSYNVLX-HNNXBMFYSA-N 0 0 293.204 5.090 40 0 CKABRN CCO[C@H](CC)c1ccc(Br)c2ccccc21 ZINC000085391232 179047761 /nfs/dbraw/zinc/04/77/61/179047761.db2.gz AQMGCDLOSYNVLX-OAHLLOKOSA-N 0 0 293.204 5.090 40 0 CKABRN CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085975009 179207918 /nfs/dbraw/zinc/20/79/18/179207918.db2.gz CIGFWENQAXVDOM-PCCBWWKXSA-N 0 0 296.583 7.862 40 0 in-vitro CKABRN CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085975019 179207816 /nfs/dbraw/zinc/20/78/16/179207816.db2.gz CIGFWENQAXVDOM-ACRUOGEOSA-N 0 0 296.583 7.862 40 0 in-vitro CKABRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@H](C)CCC[C@@]21C ZINC000086047419 179223935 /nfs/dbraw/zinc/22/39/35/179223935.db2.gz DAYLDISWSXEJLN-LSBZLQRGSA-N 0 0 256.433 5.450 40 0 CKABRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@@H](C)CCC[C@@]21C ZINC000086047421 179223495 /nfs/dbraw/zinc/22/34/95/179223495.db2.gz DAYLDISWSXEJLN-POZUXBRTSA-N 0 0 256.433 5.450 40 0 CKABRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@H](C)CCC[C@]21C ZINC000086047423 179223572 /nfs/dbraw/zinc/22/35/72/179223572.db2.gz DAYLDISWSXEJLN-BJZITVGISA-N 0 0 256.433 5.450 40 0 CKABRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@@H](C)CCC[C@]21C ZINC000086047426 179223875 /nfs/dbraw/zinc/22/38/75/179223875.db2.gz DAYLDISWSXEJLN-YJLNNSPDSA-N 0 0 256.433 5.450 40 0 CKABRN Fc1ccc(/C(=C\Cl)Cc2ccccc2Cl)cc1 ZINC000087491439 570253840 /nfs/dbraw/zinc/25/38/40/570253840.db2.gz WUJFUSVSSCMEMU-RAXLEYEMSA-N 0 0 281.157 5.302 40 0 CKABRN Cc1ccc(N(c2ccccc2)c2cccc(C)c2)cc1 ZINC000087492678 570253819 /nfs/dbraw/zinc/25/38/19/570253819.db2.gz XZEGQPSNQVPGPL-UHFFFAOYSA-N 0 0 273.379 5.773 40 0 CKABRN F/C(=C(/F)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000087492925 570253809 /nfs/dbraw/zinc/25/38/09/570253809.db2.gz VACJJTILLBXACD-BUHFOSPRSA-N 0 0 285.120 5.758 40 0 CKABRN Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1C ZINC000087493220 570253976 /nfs/dbraw/zinc/25/39/76/570253976.db2.gz BLBZZPCIIHJPDC-UHFFFAOYSA-N 0 0 258.364 5.637 40 0 CKABRN Cc1ccccc1Nc1nc2ccc(Cl)cc2s1 ZINC000089065129 567046926 /nfs/dbraw/zinc/04/69/26/567046926.db2.gz TZWKIUDKJGXQRI-UHFFFAOYSA-N 0 0 274.776 5.002 40 0 CKABRN Clc1ccc2nc(Nc3ccccc3Cl)sc2c1 ZINC000089065133 526969898 /nfs/dbraw/zinc/96/98/98/526969898.db2.gz YGWXCULKNJELOY-UHFFFAOYSA-N 0 0 295.194 5.347 40 0 CKABRN Cc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 ZINC000089065136 567906284 /nfs/dbraw/zinc/90/62/84/567906284.db2.gz NVHOBMHJNXVWAR-UHFFFAOYSA-N 0 0 274.776 5.002 40 0 CKABRN CCc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 ZINC000089065138 567906139 /nfs/dbraw/zinc/90/61/39/567906139.db2.gz PRQOBHGETLLVBR-UHFFFAOYSA-N 0 0 288.803 5.256 40 0 CKABRN Clc1ccc2nc(Nc3cccc(Cl)c3)sc2c1 ZINC000089065142 526970008 /nfs/dbraw/zinc/97/00/08/526970008.db2.gz AWFDIQPOVMNDTM-UHFFFAOYSA-N 0 0 295.194 5.347 40 0 CKABRN Cc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065148 567047799 /nfs/dbraw/zinc/04/77/99/567047799.db2.gz VMFKSCFBNNWREU-UHFFFAOYSA-N 0 0 274.776 5.002 40 0 CKABRN CCc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000089065149 567047108 /nfs/dbraw/zinc/04/71/08/567047108.db2.gz DTFPEWLONFDUKI-UHFFFAOYSA-N 0 0 288.803 5.256 40 0 CKABRN COc1ccc2nc(Nc3ccc(C(C)C)cc3)sc2c1 ZINC000089065152 525680203 /nfs/dbraw/zinc/68/02/03/525680203.db2.gz WBPWIXHUYOGTKZ-UHFFFAOYSA-N 0 0 298.411 5.172 40 0 CKABRN c1ccc2cc(NCC3CCCCCC3)ccc2c1 ZINC000089065263 567047443 /nfs/dbraw/zinc/04/74/43/567047443.db2.gz QISCLOXNWPDBTB-UHFFFAOYSA-N 0 0 253.389 5.222 40 0 CKABRN Cc1ccc(C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000090377334 567907759 /nfs/dbraw/zinc/90/77/59/567907759.db2.gz YLGXLHDFBULXJH-UHFFFAOYSA-N 0 0 272.391 5.484 40 0 CKABRN Cc1ccccc1C(c1ccccc1)c1ccccc1C ZINC000090398728 567907734 /nfs/dbraw/zinc/90/77/34/567907734.db2.gz FXEMFMZCJUUOPF-UHFFFAOYSA-N 0 0 272.391 5.484 40 0 CKABRN Cc1ccccc1C(c1ccccc1C)c1ccccc1C ZINC000090398730 567907986 /nfs/dbraw/zinc/90/79/86/567907986.db2.gz BLBXOCBWGVOOHG-UHFFFAOYSA-N 0 0 286.418 5.792 40 0 CKABRN CC(C)Oc1ccc2cc(Br)ccc2c1Cl ZINC000090413870 567907777 /nfs/dbraw/zinc/90/77/77/567907777.db2.gz KWYRCUUQDLDXJC-UHFFFAOYSA-N 0 0 299.595 5.043 40 0 CKABRN CCCCC/C=C/C/C=C\C/C=C\CCCCCO ZINC000090427606 567907905 /nfs/dbraw/zinc/90/79/05/567907905.db2.gz WFYSUQMCIPGKKK-SAAUORLLSA-N 0 0 264.453 5.568 40 0 CKABRN CCCCC/C=C/C/C=C/C/C=C\CCCCCO ZINC000090427610 179985024 /nfs/dbraw/zinc/98/50/24/179985024.db2.gz WFYSUQMCIPGKKK-RNCOHGIQSA-N 0 0 264.453 5.568 40 0 CKABRN CCCCc1cccc2oc(-c3ccccc3)cc21 ZINC000090429066 179985556 /nfs/dbraw/zinc/98/55/56/179985556.db2.gz SQKTYRPXWGRVDX-UHFFFAOYSA-N 0 0 250.341 5.442 40 0 CKABRN CC(C)(Cl)[C@@H]1CC=C(CC(Cl)(Cl)Cl)CC1 ZINC000090477014 567907981 /nfs/dbraw/zinc/90/79/81/567907981.db2.gz FBOPQCMYVVQUDG-SECBINFHSA-N 0 0 290.061 5.491 40 0 CKABRN C(=C\C(c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000090751369 180036321 /nfs/dbraw/zinc/03/63/21/180036321.db2.gz RDCOLDLJNDPOTK-MSUUIHNZSA-N 0 0 270.375 5.532 40 0 CKABRN C(/C=C\c1ccccc1)=C(c1ccccc1)c1ccccc1 ZINC000090751370 180036506 /nfs/dbraw/zinc/03/65/06/180036506.db2.gz ZXJYAYKVSJJDNO-RAXLEYEMSA-N 0 0 282.386 5.832 40 0 CKABRN C(/C=C\c1ccccc1)=C1c2ccccc2-c2ccccc21 ZINC000090751371 180036563 /nfs/dbraw/zinc/03/65/63/180036563.db2.gz FDELSKWIDIUQDN-FLIBITNWSA-N 0 0 280.370 5.812 40 0 CKABRN C1=C(c2ccccc2)[C@H](c2ccccc2)C=C1c1ccccc1 ZINC000090751413 180036639 /nfs/dbraw/zinc/03/66/39/180036639.db2.gz CUFFHBHPQZGOBM-QFIPXVFZSA-N 0 0 294.397 5.951 40 0 CKABRN c1c(-c2ccccc2)oc2cccc(-c3ccccc3)c12 ZINC000090751468 180036688 /nfs/dbraw/zinc/03/66/88/180036688.db2.gz LWRBNYUDWPRDMI-UHFFFAOYSA-N 0 0 270.331 5.767 40 0 CKABRN C([C@H]1CCC[C@@H]2CCCC[C@@H]12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000090755059 180036690 /nfs/dbraw/zinc/03/66/90/180036690.db2.gz XUXHXEMDOZHKDH-RFUSENCQSA-N 0 0 288.519 6.590 40 0 CKABRN C([C@H]1CCC[C@@H]2CCCC[C@H]12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000090755060 180036348 /nfs/dbraw/zinc/03/63/48/180036348.db2.gz XUXHXEMDOZHKDH-XUDSTZEESA-N 0 0 288.519 6.590 40 0 CKABRN C([C@H]1CCC[C@H]2CCCC[C@@H]12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000090755061 180036099 /nfs/dbraw/zinc/03/60/99/180036099.db2.gz XUXHXEMDOZHKDH-HETMTNPWSA-N 0 0 288.519 6.590 40 0 CKABRN C([C@H]1CCC[C@H]2CCCC[C@H]12)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000090755062 180036474 /nfs/dbraw/zinc/03/64/74/180036474.db2.gz XUXHXEMDOZHKDH-SQDPYLFBSA-N 0 0 288.519 6.590 40 0 CKABRN C1[C@H]2[C@@H](CC[C@@H]3CCCC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@H]12 ZINC000090755085 180036468 /nfs/dbraw/zinc/03/64/68/180036468.db2.gz AXAQHVIIZMRCDU-RZUVZAJESA-N 0 0 286.503 6.055 40 0 CKABRN C1[C@H]2[C@@H](CC[C@@H]3CCCC[C@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@H]12 ZINC000090755086 180036704 /nfs/dbraw/zinc/03/67/04/180036704.db2.gz AXAQHVIIZMRCDU-CYPDMGDPSA-N 0 0 286.503 6.055 40 0 CKABRN C1[C@H]2[C@@H](CC[C@H]3CCCC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@H]12 ZINC000090755087 180036239 /nfs/dbraw/zinc/03/62/39/180036239.db2.gz AXAQHVIIZMRCDU-BODIFVBJSA-N 0 0 286.503 6.055 40 0 CKABRN C1[C@H]2[C@@H](CC[C@H]3CCCC[C@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@H]12 ZINC000090755088 180036439 /nfs/dbraw/zinc/03/64/39/180036439.db2.gz AXAQHVIIZMRCDU-CCOGIYSMSA-N 0 0 286.503 6.055 40 0 CKABRN C[C@H](CCCC[C@H](C)CC(C)(C)C)CC(C)(C)C ZINC000090767116 180038051 /nfs/dbraw/zinc/03/80/51/180038051.db2.gz NJOPDRPUVCALJM-IYBDPMFKSA-N 0 0 254.502 6.691 40 0 CKABRN Cc1ccc(N(c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000091301437 180128745 /nfs/dbraw/zinc/12/87/45/180128745.db2.gz AKPKRGCTFSWQPK-UHFFFAOYSA-N 0 0 287.406 6.082 40 0 CKABRN FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000095093294 184942241 /nfs/dbraw/zinc/94/22/41/184942241.db2.gz COVAIPUHJRFGFP-UHFFFAOYSA-N 0 0 290.206 5.391 40 0 CKABRN Clc1ccc(-c2cc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000095094734 567939983 /nfs/dbraw/zinc/93/99/83/567939983.db2.gz BPKPUPGBXYEWEL-UHFFFAOYSA-N 0 0 289.165 5.051 40 0 CKABRN C[C@]1(c2cccs2)C=CS[C@@H]1c1cccs1 ZINC000095496362 327202595 /nfs/dbraw/zinc/20/25/95/327202595.db2.gz BFUKMVVDRJHLTP-CHWSQXEVSA-N 0 0 264.440 5.069 40 0 CKABRN C[C@@]1(c2cccs2)C=CS[C@@H]1c1cccs1 ZINC000095496363 327202733 /nfs/dbraw/zinc/20/27/33/327202733.db2.gz BFUKMVVDRJHLTP-OLZOCXBDSA-N 0 0 264.440 5.069 40 0 CKABRN C[C@]1(c2cccs2)C=CS[C@H]1c1cccs1 ZINC000095496364 327202655 /nfs/dbraw/zinc/20/26/55/327202655.db2.gz BFUKMVVDRJHLTP-QWHCGFSZSA-N 0 0 264.440 5.069 40 0 CKABRN C[C@@]1(c2cccs2)C=CS[C@H]1c1cccs1 ZINC000095496365 327202731 /nfs/dbraw/zinc/20/27/31/327202731.db2.gz BFUKMVVDRJHLTP-STQMWFEESA-N 0 0 264.440 5.069 40 0 CKABRN Cc1csc(-c2sccc2-c2cccs2)c1C ZINC000095496369 327202735 /nfs/dbraw/zinc/20/27/35/327202735.db2.gz FCZAIOPYZMDGEN-UHFFFAOYSA-N 0 0 276.451 5.822 40 0 CKABRN Cc1nc2cc(C(F)(F)F)ccc2c(Cl)c1C(C)C ZINC000095534964 185008370 /nfs/dbraw/zinc/00/83/70/185008370.db2.gz LEQGFMDXQCAKOM-UHFFFAOYSA-N 0 0 287.712 5.339 40 0 CKABRN Cc1nc2ccc(C(F)(F)F)cc2c(Cl)c1C(C)C ZINC000095534967 185007778 /nfs/dbraw/zinc/00/77/78/185007778.db2.gz KJPVIYKWPWBTQD-UHFFFAOYSA-N 0 0 287.712 5.339 40 0 CKABRN CCCCCn1cccc1C(=O)c1cccc2ccccc21 ZINC000095705034 567136681 /nfs/dbraw/zinc/13/66/81/567136681.db2.gz UGAKRGFDLZLMFQ-UHFFFAOYSA-N 0 0 291.394 5.063 40 0 in-vitro CKABRN CCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000095705060 185018100 /nfs/dbraw/zinc/01/81/00/185018100.db2.gz DFUBISUWTFPBFB-UHFFFAOYSA-N 0 0 299.373 5.045 40 0 in-vitro CKABRN CC(C)c1cccc(-c2ccc(Br)cc2)c1 ZINC000095728124 185021348 /nfs/dbraw/zinc/02/13/48/185021348.db2.gz OERASXRMXMCMQX-UHFFFAOYSA-N 0 0 275.189 5.240 40 0 CKABRN CC(C)c1cccc(-c2cccc(Br)c2)c1 ZINC000095728127 185021554 /nfs/dbraw/zinc/02/15/54/185021554.db2.gz IQOLAYHTFGVJSK-UHFFFAOYSA-N 0 0 275.189 5.240 40 0 CKABRN CC(C)c1ccccc1-c1ccc(Br)cc1 ZINC000095728130 185021313 /nfs/dbraw/zinc/02/13/13/185021313.db2.gz UIEBQDWIFJOFMP-UHFFFAOYSA-N 0 0 275.189 5.240 40 0 CKABRN CC(C)c1ccccc1-c1cccc(Br)c1 ZINC000095728132 185021347 /nfs/dbraw/zinc/02/13/47/185021347.db2.gz MBHOABIHGPWTFI-UHFFFAOYSA-N 0 0 275.189 5.240 40 0 CKABRN Cc1ccc([C@H](O)c2ccc(-c3ccccc3)c(C)c2)s1 ZINC000095728662 185021283 /nfs/dbraw/zinc/02/12/83/185021283.db2.gz PFWIQCLFDSNNPO-LJQANCHMSA-N 0 0 294.419 5.114 40 0 CKABRN Cc1ccc([C@@H](O)c2ccc(-c3ccccc3)c(C)c2)s1 ZINC000095728665 185021601 /nfs/dbraw/zinc/02/16/01/185021601.db2.gz PFWIQCLFDSNNPO-IBGZPJMESA-N 0 0 294.419 5.114 40 0 CKABRN CCCc1ccc(-c2cccc(C(=O)C(F)(F)F)c2)cc1 ZINC000095728900 185022455 /nfs/dbraw/zinc/02/24/55/185022455.db2.gz SHFFFORCNSYFNI-UHFFFAOYSA-N 0 0 292.300 5.051 40 0 CKABRN Cc1ccc(Cl)cc1-c1ccc(Br)cc1 ZINC000095730470 185022516 /nfs/dbraw/zinc/02/25/16/185022516.db2.gz LBFGAXHKDGHABR-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN Cc1ccc(Cl)cc1-c1cccc(Br)c1 ZINC000095730472 185022254 /nfs/dbraw/zinc/02/22/54/185022254.db2.gz CGCKQYIBZLGXKT-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN Cc1c(Cl)cccc1-c1ccc(Br)cc1 ZINC000095730475 185022559 /nfs/dbraw/zinc/02/25/59/185022559.db2.gz KCIMFAHVZUZHCM-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN Cc1c(Cl)cccc1-c1cccc(Br)c1 ZINC000095730478 185022641 /nfs/dbraw/zinc/02/26/41/185022641.db2.gz GXEJNQPYMBSXBS-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN Cc1ccc(-c2ccc(Br)cc2)cc1Cl ZINC000095730488 185022221 /nfs/dbraw/zinc/02/22/21/185022221.db2.gz PIYDYJMDHWUBKK-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN Cc1ccc(-c2cccc(Br)c2)cc1Cl ZINC000095730490 185022623 /nfs/dbraw/zinc/02/26/23/185022623.db2.gz JPXUVPJOGOYWBW-UHFFFAOYSA-N 0 0 281.580 5.078 40 0 CKABRN O=C(c1cc(Cl)cc(Cl)c1)C1CCCCCC1 ZINC000095731247 185022287 /nfs/dbraw/zinc/02/22/87/185022287.db2.gz BOZGDNZRGSRZDE-UHFFFAOYSA-N 0 0 271.187 5.147 40 0 CKABRN CCCCCCSc1ccc(C(=O)C(F)(F)F)cc1 ZINC000095731504 185022572 /nfs/dbraw/zinc/02/25/72/185022572.db2.gz ILXVQPHEJSBAAZ-UHFFFAOYSA-N 0 0 290.350 5.104 40 0 CKABRN CCCCCCSc1cccc(C(=O)C(F)(F)F)c1 ZINC000095731507 185022062 /nfs/dbraw/zinc/02/20/62/185022062.db2.gz MRGRKQNGQZIVTB-UHFFFAOYSA-N 0 0 290.350 5.104 40 0 CKABRN CCCCCCSc1ccccc1C(=O)C(F)(F)F ZINC000095731515 185022386 /nfs/dbraw/zinc/02/23/86/185022386.db2.gz LWTVODOHGWWYJI-UHFFFAOYSA-N 0 0 290.350 5.104 40 0 CKABRN Fc1ccc(SCc2ccccc2Cl)cc1Cl ZINC000095733281 185023447 /nfs/dbraw/zinc/02/34/47/185023447.db2.gz GLEWWENTACEXCE-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(CSc2ccc(F)c(Cl)c2)c(F)c1 ZINC000095733284 185022876 /nfs/dbraw/zinc/02/28/76/185022876.db2.gz AZIBZVMSQWONJS-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2c(F)cccc2F)cc1Cl ZINC000095733287 185023083 /nfs/dbraw/zinc/02/30/83/185023083.db2.gz RDPMSJASHUTESY-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(CSc2ccc(F)c(Cl)c2)cc1F ZINC000095733290 185023424 /nfs/dbraw/zinc/02/34/24/185023424.db2.gz KPPQPLFNJGYBPS-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(F)c(CSc2ccc(F)c(Cl)c2)c1 ZINC000095733307 185022942 /nfs/dbraw/zinc/02/29/42/185022942.db2.gz OGIIMZILTXVCDC-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(CSc2ccc(F)c(Cl)c2)c1 ZINC000095733310 185022982 /nfs/dbraw/zinc/02/29/82/185022982.db2.gz XNFHQEMOQQCEHR-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2cccc(Cl)c2)cc1Cl ZINC000095733330 185023303 /nfs/dbraw/zinc/02/33/03/185023303.db2.gz VFIURLJBRXXOCF-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(SCc2ccc(Cl)cc2)cc1Cl ZINC000095733336 185023455 /nfs/dbraw/zinc/02/34/55/185023455.db2.gz IABQEZCTBNIBFP-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(Cl)cc(SCc2ccccc2Cl)c1 ZINC000095733347 185022847 /nfs/dbraw/zinc/02/28/47/185022847.db2.gz NIYUOAYMGTYGBF-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(CSc2cc(F)cc(Cl)c2)c(F)c1 ZINC000095733350 185022828 /nfs/dbraw/zinc/02/28/28/185022828.db2.gz POHHZFQLSINVAT-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(Cl)cc(SCc2c(F)cccc2F)c1 ZINC000095733353 185023256 /nfs/dbraw/zinc/02/32/56/185023256.db2.gz LDYJZZLEGMJHLM-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(Cl)cc(SCc2ccc(F)c(F)c2)c1 ZINC000095733358 185023325 /nfs/dbraw/zinc/02/33/25/185023325.db2.gz ZUUBGSJIWVLIAJ-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(F)c(CSc2cc(F)cc(Cl)c2)c1 ZINC000095733376 185023218 /nfs/dbraw/zinc/02/32/18/185023218.db2.gz WMEWAMVQAUNJLX-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(CSc2cc(F)cc(Cl)c2)c1 ZINC000095733378 185023229 /nfs/dbraw/zinc/02/32/29/185023229.db2.gz DFOWMYVVHFQIIU-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(Cl)cc(SCc2cccc(Cl)c2)c1 ZINC000095733397 185023425 /nfs/dbraw/zinc/02/34/25/185023425.db2.gz ZFXZQZHSZTUEJX-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(Cl)cc(SCc2ccc(Cl)cc2)c1 ZINC000095733404 185023430 /nfs/dbraw/zinc/02/34/30/185023430.db2.gz AFPYJMNKUJYCDV-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(SCc2ccccc2Cl)ccc1Cl ZINC000095733414 185023008 /nfs/dbraw/zinc/02/30/08/185023008.db2.gz DDBQSRPWGKVXNM-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(CSc2ccc(Cl)c(F)c2)c(F)c1 ZINC000095733416 185023223 /nfs/dbraw/zinc/02/32/23/185023223.db2.gz ATLDLFVVAABLAN-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cccc(F)c1CSc1ccc(Cl)c(F)c1 ZINC000095733420 185023213 /nfs/dbraw/zinc/02/32/13/185023213.db2.gz ARMBOKTVSUKPMP-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(CSc2ccc(Cl)c(F)c2)cc1F ZINC000095733422 185023338 /nfs/dbraw/zinc/02/33/38/185023338.db2.gz GMEXUZNUGCBALL-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(F)c(CSc2ccc(Cl)c(F)c2)c1 ZINC000095733437 185023439 /nfs/dbraw/zinc/02/34/39/185023439.db2.gz DETRDNRUNFACEF-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(CSc2ccc(Cl)c(F)c2)c1 ZINC000095733440 185023310 /nfs/dbraw/zinc/02/33/10/185023310.db2.gz DNXAIAUYMYJKNG-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(SCc2cccc(Cl)c2)ccc1Cl ZINC000095733458 185023052 /nfs/dbraw/zinc/02/30/52/185023052.db2.gz UPGPICTZBINAAU-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(SCc2ccc(Cl)cc2)ccc1Cl ZINC000095733464 185022943 /nfs/dbraw/zinc/02/29/43/185022943.db2.gz FMPNRCDSMYDSMC-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1c(Cl)cccc1CSc1ccc(Cl)cc1 ZINC000095733474 185022998 /nfs/dbraw/zinc/02/29/98/185022998.db2.gz IXCFSRUGOSFUBS-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(CSc2ccc(Cl)cc2)cc1Cl ZINC000095733477 185022857 /nfs/dbraw/zinc/02/28/57/185022857.db2.gz ZCIYMVKBQQJKHT-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(Cl)ccc1CSc1ccc(Cl)cc1 ZINC000095733480 185023178 /nfs/dbraw/zinc/02/31/78/185023178.db2.gz DCRWNNNGKCPPNY-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(CSc2ccc(Cl)cc2)ccc1Cl ZINC000095733482 185022919 /nfs/dbraw/zinc/02/29/19/185022919.db2.gz NJPZZIYKUCUSOJ-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Clc1cccc(SCc2ccccc2Cl)c1 ZINC000095733488 185023184 /nfs/dbraw/zinc/02/31/84/185023184.db2.gz WLQUFUHEKWTJMQ-UHFFFAOYSA-N 0 0 269.196 5.286 40 0 CKABRN Fc1c(Cl)cccc1CSc1cccc(Cl)c1 ZINC000095733507 185023400 /nfs/dbraw/zinc/02/34/00/185023400.db2.gz JEVYWKVRUXKRGM-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1ccc(CSc2cccc(Cl)c2)c(Cl)c1 ZINC000095733518 185023266 /nfs/dbraw/zinc/02/32/66/185023266.db2.gz SQJLONMUHZXGSB-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cccc(Cl)c1CSc1cccc(Cl)c1 ZINC000095733521 185022984 /nfs/dbraw/zinc/02/29/84/185022984.db2.gz HXEVIPAZZAPXMU-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Clc1ccc(CSc2cccc(Cl)c2)cc1 ZINC000095733524 185023101 /nfs/dbraw/zinc/02/31/01/185023101.db2.gz MQNILHUSCIKGBV-UHFFFAOYSA-N 0 0 269.196 5.286 40 0 CKABRN Fc1cc(Cl)ccc1CSc1cccc(Cl)c1 ZINC000095733529 185022973 /nfs/dbraw/zinc/02/29/73/185022973.db2.gz ZQZNEARVDULFHP-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Fc1cc(CSc2cccc(Cl)c2)ccc1Cl ZINC000095733532 185022891 /nfs/dbraw/zinc/02/28/91/185022891.db2.gz UKORTUSSQVIGQI-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN Clc1cccc(CSc2cccc(Cl)c2)c1 ZINC000095733534 185022906 /nfs/dbraw/zinc/02/29/06/185022906.db2.gz ALXWLUXRJVFJSC-UHFFFAOYSA-N 0 0 269.196 5.286 40 0 CKABRN Fc1ccc(SCc2cccc(Cl)c2F)cc1F ZINC000095733560 185022825 /nfs/dbraw/zinc/02/28/25/185022825.db2.gz OQMQANYTIOIJHK-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(CSc2ccc(F)c(F)c2)c(Cl)c1 ZINC000095733568 185023388 /nfs/dbraw/zinc/02/33/88/185023388.db2.gz VICQAWOJNQKAQX-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2c(F)cccc2Cl)cc1F ZINC000095733572 185023134 /nfs/dbraw/zinc/02/31/34/185023134.db2.gz YVWMXKSPMDYKGW-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2ccc(F)c(Cl)c2)cc1F ZINC000095733574 185023041 /nfs/dbraw/zinc/02/30/41/185023041.db2.gz OJSWLMCUAYLFKR-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2ccc(Cl)cc2F)cc1F ZINC000095733578 185023015 /nfs/dbraw/zinc/02/30/15/185023015.db2.gz RKBMRLMPMKOCNW-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(SCc2ccc(Cl)c(F)c2)cc1F ZINC000095733581 185023012 /nfs/dbraw/zinc/02/30/12/185023012.db2.gz OISPXFPNCGLLFJ-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(SCc2cccc(Cl)c2F)c1 ZINC000095733619 185023287 /nfs/dbraw/zinc/02/32/87/185023287.db2.gz PNEYLRJEMPXEAU-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(CSc2cc(F)cc(F)c2)c(Cl)c1 ZINC000095733630 185023094 /nfs/dbraw/zinc/02/30/94/185023094.db2.gz QIFAQFJLRPNKCG-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(SCc2c(F)cccc2Cl)c1 ZINC000095733635 185023454 /nfs/dbraw/zinc/02/34/54/185023454.db2.gz XKHWKOGXNZZHRB-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(SCc2ccc(F)c(Cl)c2)c1 ZINC000095733637 185023014 /nfs/dbraw/zinc/02/30/14/185023014.db2.gz XHDGZFHKPDATND-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(SCc2ccc(Cl)cc2F)c1 ZINC000095733642 185023354 /nfs/dbraw/zinc/02/33/54/185023354.db2.gz MQTUOAGOMQGHCR-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1cc(F)cc(SCc2ccc(Cl)c(F)c2)c1 ZINC000095733644 185023205 /nfs/dbraw/zinc/02/32/05/185023205.db2.gz UOCDJFBOMYOYKE-UHFFFAOYSA-N 0 0 288.721 5.050 40 0 CKABRN Fc1ccc(CSc2cccc(Cl)c2)cc1Cl ZINC000095733654 185023443 /nfs/dbraw/zinc/02/34/43/185023443.db2.gz NZXXYXWGAXIYLP-UHFFFAOYSA-N 0 0 287.186 5.425 40 0 CKABRN CCCCCCOc1cc(C(F)(F)F)ccc1Cl ZINC000095738583 185023634 /nfs/dbraw/zinc/02/36/34/185023634.db2.gz XBTMXXNRYWUWOL-UHFFFAOYSA-N 0 0 280.717 5.318 40 0 CKABRN CCCCCCOc1ccc(C(F)(F)F)cc1Cl ZINC000095738592 185023921 /nfs/dbraw/zinc/02/39/21/185023921.db2.gz FDTJEEREKJUWRC-UHFFFAOYSA-N 0 0 280.717 5.318 40 0 CKABRN c1ccc(C2=C3C=CC=C[C@H]3[C@@H](c3ccccc3)S2)cc1 ZINC000095862905 185029704 /nfs/dbraw/zinc/02/97/04/185029704.db2.gz DIBPUWUGPYTJPK-IEBWSBKVSA-N 0 0 288.415 5.628 40 0 CKABRN c1ccc(C2=C3C=CC=C[C@@H]3[C@@H](c3ccccc3)S2)cc1 ZINC000095862906 185029911 /nfs/dbraw/zinc/02/99/11/185029911.db2.gz DIBPUWUGPYTJPK-PKOBYXMFSA-N 0 0 288.415 5.628 40 0 CKABRN c1ccc(C2=C3C=CC=C[C@@H]3[C@H](c3ccccc3)S2)cc1 ZINC000095862907 185029414 /nfs/dbraw/zinc/02/94/14/185029414.db2.gz DIBPUWUGPYTJPK-HKUYNNGSSA-N 0 0 288.415 5.628 40 0 CKABRN CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000095887521 567909579 /nfs/dbraw/zinc/90/95/79/567909579.db2.gz XHVBQPDSEXIKTL-XWTMOSNGSA-N 0 0 252.486 6.301 40 0 CKABRN CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000095887522 567909458 /nfs/dbraw/zinc/90/94/58/567909458.db2.gz XHVBQPDSEXIKTL-XLAORIBOSA-N 0 0 252.486 6.301 40 0 CKABRN CC(C)CCC[C@H](C)CC[C@@H]1C[C@H](C)CC[C@H]1C ZINC000095887524 567909409 /nfs/dbraw/zinc/90/94/09/567909409.db2.gz XHVBQPDSEXIKTL-BSDSXHPESA-N 0 0 252.486 6.301 40 0 CKABRN CC(C)CCC[C@H](C)CC[C@@H]1C[C@@H](C)CC[C@H]1C ZINC000095887525 260557934 /nfs/dbraw/zinc/55/79/34/260557934.db2.gz XHVBQPDSEXIKTL-WNRNVDISSA-N 0 0 252.486 6.301 40 0 CKABRN CCCCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095887533 567909434 /nfs/dbraw/zinc/90/94/34/567909434.db2.gz LBWPYRZGHYVSEL-MSOLQXFVSA-N 0 0 254.502 6.836 40 0 biogenic CKABRN CCCCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095887534 260557786 /nfs/dbraw/zinc/55/77/86/260557786.db2.gz LBWPYRZGHYVSEL-ROUUACIJSA-N 0 0 254.502 6.836 40 0 biogenic CKABRN CCCCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000095887536 567062510 /nfs/dbraw/zinc/06/25/10/567062510.db2.gz LBWPYRZGHYVSEL-ZWKOTPCHSA-N 0 0 254.502 6.836 40 0 biogenic CKABRN CC(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@@H](C)CCC[C@@]32C)C1 ZINC000095887617 566982752 /nfs/dbraw/zinc/98/27/52/566982752.db2.gz HTNCYKZTYXSRHL-DYKIIFRCSA-N 0 0 262.481 5.911 40 0 CKABRN COc1ccc(-c2ccc(-c3cccs3)s2)cc1 ZINC000095889645 567909565 /nfs/dbraw/zinc/90/95/65/567909565.db2.gz HRPCSLCDFGYWKL-UHFFFAOYSA-N 0 0 272.394 5.152 40 0 CKABRN CC(C)CCC[C@H](C)CCCC[C@H](C)CCCC(C)C ZINC000095889684 567909403 /nfs/dbraw/zinc/90/94/03/567909403.db2.gz KKFZXXATNGJPJS-BGYRXZFFSA-N 0 0 282.556 7.472 40 0 CKABRN CC(C)CCC[C@H](C)CCCC[C@@H](C)CCCC(C)C ZINC000095889685 260557913 /nfs/dbraw/zinc/55/79/13/260557913.db2.gz KKFZXXATNGJPJS-WOJBJXKFSA-N 0 0 282.556 7.472 40 0 CKABRN CC(C)CCC[C@@H](C)CCCC[C@H](C)CCCC(C)C ZINC000095889686 260557943 /nfs/dbraw/zinc/55/79/43/260557943.db2.gz KKFZXXATNGJPJS-PMACEKPBSA-N 0 0 282.556 7.472 40 0 CKABRN Brc1ccc(-c2cccc3ccccc32)s1 ZINC000095890227 567909460 /nfs/dbraw/zinc/90/94/60/567909460.db2.gz JVPARCBDWRZMIK-UHFFFAOYSA-N 0 0 289.197 5.331 40 0 CKABRN CCCCCCSc1ccccc1Br ZINC000095915310 185030807 /nfs/dbraw/zinc/03/08/07/185030807.db2.gz MDCAZRVXYARZQF-UHFFFAOYSA-N 0 0 273.239 5.122 40 0 CKABRN CCCCCCSc1cccc(Br)c1 ZINC000095915336 185030711 /nfs/dbraw/zinc/03/07/11/185030711.db2.gz FJRPOAVYYBMSLE-UHFFFAOYSA-N 0 0 273.239 5.122 40 0 CKABRN CCCCCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000095916675 185030649 /nfs/dbraw/zinc/03/06/49/185030649.db2.gz ZTEFIAFRTBGYRO-UHFFFAOYSA-N 0 0 259.176 5.147 40 0 CKABRN O=C(c1ccc(Cl)c(Cl)c1)C1CCCCCC1 ZINC000095919496 185031984 /nfs/dbraw/zinc/03/19/84/185031984.db2.gz SWLCYAAQKICFER-UHFFFAOYSA-N 0 0 271.187 5.147 40 0 CKABRN CC(C)=CCC[C@H](C)CCOC(=O)/C=C\c1ccccc1 ZINC000095935285 185033437 /nfs/dbraw/zinc/03/34/37/185033437.db2.gz KMXKQELDKDGFRN-QOHRORDFSA-N 0 0 286.415 5.016 40 0 CKABRN CC(C)=CCC[C@@H](C)CCOC(=O)/C=C\c1ccccc1 ZINC000095935286 185033453 /nfs/dbraw/zinc/03/34/53/185033453.db2.gz KMXKQELDKDGFRN-MUSGIIIZSA-N 0 0 286.415 5.016 40 0 CKABRN CC(/C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C)=C/CO ZINC000096014729 185066368 /nfs/dbraw/zinc/06/63/68/185066368.db2.gz FPIPGXGPPPQFEQ-CNUXSUDZSA-N 0 0 286.459 5.510 40 0 in-vitro CKABRN FC(F)(F)CCSc1cc(Cl)ccc1Cl ZINC000096024762 185066522 /nfs/dbraw/zinc/06/65/22/185066522.db2.gz AOXOOBXACRAGGV-UHFFFAOYSA-N 0 0 275.122 5.038 40 0 CKABRN FC(F)(F)c1coc2c1cccc2OCc1ccccc1 ZINC000096105267 185098832 /nfs/dbraw/zinc/09/88/32/185098832.db2.gz WROBUYYZYQGFAK-UHFFFAOYSA-N 0 0 292.256 5.031 40 0 CKABRN Clc1cc(C2CCCCCC2)nc(-c2ccccc2)n1 ZINC000096524135 567897871 /nfs/dbraw/zinc/89/78/71/567897871.db2.gz XQHQHMIRMNLXEN-UHFFFAOYSA-N 0 0 286.806 5.235 40 0 CKABRN CCCCCCOc1ccc(Br)cc1Cl ZINC000096543402 262528110 /nfs/dbraw/zinc/52/81/10/262528110.db2.gz PRAXVMSCILYFFB-UHFFFAOYSA-N 0 0 291.616 5.062 40 0 CKABRN c1ccc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1 ZINC000098043876 567906489 /nfs/dbraw/zinc/90/64/89/567906489.db2.gz JFNJAZGGEAAZNG-UHFFFAOYSA-N 0 0 278.354 6.154 40 0 CKABRN FC(F)(F)c1coc2ccc(OCc3ccccc3)cc21 ZINC000098091336 570351144 /nfs/dbraw/zinc/35/11/44/570351144.db2.gz KYEJKAVZVFZLAP-UHFFFAOYSA-N 0 0 292.256 5.031 40 0 CKABRN 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