smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccccc1CNC(=S)Nc1ccccc1Cl ZINC000013937065 1125512706 /nfs/dbraw/zinc/51/27/06/1125512706.db2.gz QTQOIEDCSTYKKA-UHFFFAOYSA-N 0 0 294.782 3.966 40 0 CHABRN C[C@H](NC(=O)C1CCCC1)c1ccc2c(c1)CCC2 ZINC000053387279 1125649214 /nfs/dbraw/zinc/64/92/14/1125649214.db2.gz QOGZWZSSPPKHRR-LBPRGKRZSA-N 0 0 257.377 3.543 40 0 CHABRN O=C(CCc1ncc(-c2ccccc2)o1)N1CCCCCC1 ZINC000054584202 1125655083 /nfs/dbraw/zinc/65/50/83/1125655083.db2.gz SAHUEWPZWZQXAF-UHFFFAOYSA-N 0 0 298.386 3.677 40 0 CHABRN O=C(Nc1ccc(OC2CCCC2)cc1)C(F)(F)F ZINC000070266954 1125686772 /nfs/dbraw/zinc/68/67/72/1125686772.db2.gz XYJFZJXHIMQZDV-UHFFFAOYSA-N 0 0 273.254 3.509 40 0 CHABRN CCOc1ccc([C@@H]2CC(=O)c3ccccc3N2)cc1 ZINC000169972094 1126793594 /nfs/dbraw/zinc/79/35/94/1126793594.db2.gz FDIKYDATAGHAEO-INIZCTEOSA-N 0 0 267.328 3.825 40 0 CHABRN COc1cccc(CC(=O)c2c[nH]c3ccccc32)c1 ZINC000001686457 1128117130 /nfs/dbraw/zinc/11/71/30/1128117130.db2.gz ARFFOHOHHLLSDF-UHFFFAOYSA-N 0 0 265.312 3.602 40 0 CHABRN Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000214052298 1128158938 /nfs/dbraw/zinc/15/89/38/1128158938.db2.gz ZUQNGGDSQVEBBY-NTEUORMPSA-N 0 0 299.351 3.825 40 0 CHABRN COc1ccc(C(=O)CCc2ccccc2C)cc1F ZINC000228699425 1128180345 /nfs/dbraw/zinc/18/03/45/1128180345.db2.gz BLDHDDGUBKQQMZ-UHFFFAOYSA-N 0 0 272.319 3.958 40 0 CHABRN COc1ccc(C(=O)CCc2ccc(C)cc2)cc1F ZINC000228699475 1128180421 /nfs/dbraw/zinc/18/04/21/1128180421.db2.gz KYHAZXVZKMNQDF-UHFFFAOYSA-N 0 0 272.319 3.958 40 0 CHABRN CC1(C)CC(=O)C2=C(c3cccc4ccccc43)NN[C@@H]2C1 ZINC000228920055 1128180523 /nfs/dbraw/zinc/18/05/23/1128180523.db2.gz LKVVFJUYXUZCIV-NVXWUHKLSA-N 0 0 292.382 3.521 40 0 CHABRN C[C@@H](OC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000054362821 1118468626 /nfs/dbraw/zinc/46/86/26/1118468626.db2.gz BWTRERKIKPWIOY-LLVKDONJSA-N 0 0 288.730 3.768 40 0 CHABRN O=c1c2c([nH]c3ccc(Oc4ccccc4)cc31)CCC2 ZINC000048770584 1119025692 /nfs/dbraw/zinc/02/56/92/1119025692.db2.gz CNMNWTNZDUYNHD-UHFFFAOYSA-N 0 0 277.323 3.809 40 0 CHABRN CCCCOCc1c(Br)cnn1[C@@H](C)CC ZINC000408716517 1120156880 /nfs/dbraw/zinc/15/68/80/1120156880.db2.gz NVPZNTBHSLWVSZ-JTQLQIEISA-N 0 0 289.217 3.933 40 0 CHABRN CC[C@@H](C)OCc1c(Br)cnn1[C@@H](C)CC ZINC000408715903 1120157158 /nfs/dbraw/zinc/15/71/58/1120157158.db2.gz GOKLZAPBZSXMNR-VHSXEESVSA-N 0 0 289.217 3.932 40 0 CHABRN CC[C@@H](C)OCc1nn(CC(C)C)cc1Br ZINC000408716237 1120157350 /nfs/dbraw/zinc/15/73/50/1120157350.db2.gz KGZXEBFGYVGGMA-SNVBAGLBSA-N 0 0 289.217 3.617 40 0 CHABRN Clc1cccc(N2CCC(c3ccccc3)=N2)c1 ZINC000196726234 1128895768 /nfs/dbraw/zinc/89/57/68/1128895768.db2.gz OJHLWIMVGGJZGI-UHFFFAOYSA-N 0 0 256.736 3.954 40 0 CHABRN Cc1cc(CO)cc(C)c1OC(=O)c1cccc(Cl)c1 ZINC000256051586 1120431010 /nfs/dbraw/zinc/43/10/10/1120431010.db2.gz JTJWTBFGQZEZLT-UHFFFAOYSA-N 0 0 290.746 3.668 40 0 CHABRN Fc1ccc2ccccc2c1I ZINC000088190203 1120642976 /nfs/dbraw/zinc/64/29/76/1120642976.db2.gz ARHVJMCTZHYRPB-UHFFFAOYSA-N 0 0 272.060 3.584 40 0 CHABRN CCC[C@H](C(=O)c1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000299817224 1120650608 /nfs/dbraw/zinc/65/06/08/1120650608.db2.gz NBZPCEWLKPSIIL-QGZVFWFLSA-N 0 0 271.404 3.623 40 0 in-vitro CHABRN O[C@]12CCCC[C@@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@@H]21 ZINC000004005908 1120671576 /nfs/dbraw/zinc/67/15/76/1120671576.db2.gz GATCEJCAKDSFNO-ATLSCFEFSA-N 0 0 294.435 3.520 40 0 CHABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1Cl ZINC000222887367 1121056821 /nfs/dbraw/zinc/05/68/21/1121056821.db2.gz OGHZKWPYLAKAMV-UHFFFAOYSA-N 0 0 297.688 3.879 40 0 CHABRN CC(=O)Nc1ncc(C)cc1SCc1ccccc1 ZINC000255188936 1121696669 /nfs/dbraw/zinc/69/66/69/1121696669.db2.gz MRGNXGDFDZYCNF-UHFFFAOYSA-N 0 0 272.373 3.641 40 0 CHABRN Cc1cc([C@@H](O)c2ccc(C(C)C)cc2)ccc1N ZINC000226292941 1123233061 /nfs/dbraw/zinc/23/30/61/1123233061.db2.gz ROVMSNUHWYFNTM-KRWDZBQOSA-N 0 0 255.361 3.782 40 0 CHABRN Cc1c(N)cccc1[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000226295766 1123599766 /nfs/dbraw/zinc/59/97/66/1123599766.db2.gz ASDKZTANJSOSAS-HXUWFJFHSA-N 0 0 289.378 3.911 40 0 CHABRN Cc1cc(N)cc(Cl)c1NC(=O)C1CCCCC1 ZINC000227144906 1125227546 /nfs/dbraw/zinc/22/75/46/1125227546.db2.gz QLWOSNCLAAZNEG-UHFFFAOYSA-N 0 0 266.772 3.749 40 0 CHABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnco1 ZINC000169959066 1125295705 /nfs/dbraw/zinc/29/57/05/1125295705.db2.gz LQWRLXKPAVQYAT-UHFFFAOYSA-N 0 0 290.628 3.599 40 0 CHABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2)o1 ZINC000226304650 1125435089 /nfs/dbraw/zinc/43/50/89/1125435089.db2.gz DOCABOFQJZHFHF-BETUJISGSA-N 0 0 298.386 3.932 40 0 CHABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CC(C)C)cc1 ZINC000000568324 230366532 /nfs/dbraw/zinc/36/65/32/230366532.db2.gz LOCJLMYBUBYTSW-UHFFFAOYSA-N 0 0 299.418 3.612 40 0 CHABRN Cc1nc2cc(C(=O)N3CCCCCC3)ccc2s1 ZINC000408979190 230410988 /nfs/dbraw/zinc/41/09/88/230410988.db2.gz PTRMWICOMHTIRO-UHFFFAOYSA-N 0 0 274.389 3.621 40 0 CHABRN Cc1ccc(OC(=O)c2nc3ccccc3s2)cc1 ZINC000409189916 230412762 /nfs/dbraw/zinc/41/27/62/230412762.db2.gz NNCJPPGTPQXWKA-UHFFFAOYSA-N 0 0 269.325 3.824 40 0 CHABRN Cc1nc(C(C)C)ncc1C(=O)Nc1ccccc1Cl ZINC000222570372 230398053 /nfs/dbraw/zinc/39/80/53/230398053.db2.gz SERZTRSBMCUZAP-UHFFFAOYSA-N 0 0 289.766 3.814 40 0 CHABRN Cc1noc(C)c1-c1cc(O)cc([C@H](O)c2ccccc2)c1 ZINC000095588760 185012127 /nfs/dbraw/zinc/01/21/27/185012127.db2.gz FEQUIPXIENTMJN-GOSISDBHSA-N 0 0 295.338 3.746 40 0 in-vitro CHABRN O=C(c1c(F)c(F)c(F)c(F)c1F)C1CCCC1 ZINC000095731250 185022241 /nfs/dbraw/zinc/02/22/41/185022241.db2.gz JLQWUIXDRXBMIG-UHFFFAOYSA-N 0 0 264.193 3.755 40 0 CHABRN Cc1c(F)cccc1[C@@H](O)c1ccccc1Br ZINC000095730153 185022280 /nfs/dbraw/zinc/02/22/80/185022280.db2.gz SMYNNIASFZSFNW-CQSZACIVSA-N 0 0 295.151 3.978 40 0 CHABRN CCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 ZINC000095740150 185024757 /nfs/dbraw/zinc/02/47/57/185024757.db2.gz QFLLLEJFCMRPGK-UHFFFAOYSA-N 0 0 250.191 3.707 40 0 CHABRN CCCCOc1cc(Br)cc(F)c1F ZINC000095915375 185030682 /nfs/dbraw/zinc/03/06/82/185030682.db2.gz FMGMLFDOBXVPNR-UHFFFAOYSA-N 0 0 265.097 3.906 40 0 CHABRN O=C(c1ccc(F)c(Cl)c1)C(F)(F)C(F)(F)F ZINC000095916187 185030970 /nfs/dbraw/zinc/03/09/70/185030970.db2.gz KNXMDFKHYIEQMV-UHFFFAOYSA-N 0 0 276.563 3.859 40 0 CHABRN CCCCOc1ccc(Br)cc1OC ZINC000095915441 185031207 /nfs/dbraw/zinc/03/12/07/185031207.db2.gz ZPCNCCXXAXGDQW-UHFFFAOYSA-N 0 0 259.143 3.637 40 0 CHABRN Cc1ccc([C@H](O)c2sccc2Br)s1 ZINC000082614215 178126270 /nfs/dbraw/zinc/12/62/70/178126270.db2.gz LXJMAKCBVAQGNJ-VIFPVBQESA-N 0 0 289.219 3.962 40 0 CHABRN COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)[nH]n1 ZINC000083181075 178350144 /nfs/dbraw/zinc/35/01/44/178350144.db2.gz VIARYSBCVANMEX-UHFFFAOYSA-N 0 0 294.310 3.656 40 0 CHABRN COc1ccccc1NC(=O)NCCCc1cccc(C)c1 ZINC000096706600 185110928 /nfs/dbraw/zinc/11/09/28/185110928.db2.gz SHOUGHZRWNPZKO-UHFFFAOYSA-N 0 0 298.386 3.758 40 0 CHABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000096835909 185115655 /nfs/dbraw/zinc/11/56/55/185115655.db2.gz CEYPEKMVWQDRSP-UWVGGRQHSA-N 0 0 298.169 3.673 40 0 CHABRN O=C1CCCc2c1cnn2-c1cc(Cl)cc(Cl)c1 ZINC000096861449 185118508 /nfs/dbraw/zinc/11/85/08/185118508.db2.gz KHWDTXGLMJXVRK-UHFFFAOYSA-N 0 0 281.142 3.698 40 0 CHABRN Clc1cc(NCc2cccs2)nc(C2CC2)n1 ZINC000126462091 187240729 /nfs/dbraw/zinc/24/07/29/187240729.db2.gz JLZGROHSNGGVPN-UHFFFAOYSA-N 0 0 265.769 3.681 40 0 CHABRN CC(C)Nc1nccc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328996730 136377397 /nfs/dbraw/zinc/37/73/97/136377397.db2.gz JMRGXOLBIXAHGQ-UHFFFAOYSA-N 0 0 296.418 3.595 40 0 CHABRN CCCCCC(=O)Nc1cc(N)ccc1N1CCCCC1 ZINC000226253609 136386456 /nfs/dbraw/zinc/38/64/56/136386456.db2.gz LPJFPXYFEBHGOJ-UHFFFAOYSA-N 0 0 289.423 3.778 40 0 CHABRN Cc1ccc(C(=O)N2CCCc3ccccc32)c(F)c1F ZINC000000796970 136392849 /nfs/dbraw/zinc/39/28/49/136392849.db2.gz ZVGMHBDEQUVGHD-UHFFFAOYSA-N 0 0 287.309 3.866 40 0 CHABRN CC(C)(C)OC(=O)Nc1ccoc1C(F)(F)F ZINC000085388675 179047132 /nfs/dbraw/zinc/04/71/32/179047132.db2.gz SGRUQTAYBAOMIT-UHFFFAOYSA-N 0 0 251.204 3.645 40 0 CHABRN O=Cc1cc(Br)c(-c2ccccc2)o1 ZINC000085395509 179049217 /nfs/dbraw/zinc/04/92/17/179049217.db2.gz WIBVYLRIFQXHRW-UHFFFAOYSA-N 0 0 251.079 3.522 40 0 CHABRN CCOC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 ZINC000085398378 179050634 /nfs/dbraw/zinc/05/06/34/179050634.db2.gz HHOSEZMBBQNNJH-UHFFFAOYSA-N 0 0 294.354 3.969 40 0 CHABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccco2)cc1 ZINC000014268916 136571274 /nfs/dbraw/zinc/57/12/74/136571274.db2.gz BNXVJTJIKYQWBV-ZDUSSCGKSA-N 0 0 284.359 3.911 40 0 CHABRN CC(=O)c1cs/c(=N\c2ccccc2)n1-c1ccccc1 ZINC000102476397 185778654 /nfs/dbraw/zinc/77/86/54/185778654.db2.gz LKZHJVZFZXXFLF-ZCXUNETKSA-N 0 0 294.379 3.974 40 0 CHABRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4OCCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000104378923 185987382 /nfs/dbraw/zinc/98/73/82/185987382.db2.gz JMNISNRAJNKYBE-LSIGDULCSA-N 0 0 278.436 3.769 40 0 CHABRN OCc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000091006463 180084648 /nfs/dbraw/zinc/08/46/48/180084648.db2.gz WZICYWGAGUVKBV-UHFFFAOYSA-N 0 0 289.737 3.974 40 0 CHABRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C(=O)C2 ZINC000118932316 186789181 /nfs/dbraw/zinc/78/91/81/186789181.db2.gz SPJUEQDDFYWVQF-MAAVVYDCSA-N 0 0 290.447 3.959 40 0 CHABRN C[C@@]12CCC[C@H]1[C@@H]1[C@@H](O)C[C@H]3CCCC[C@]3(C)[C@H]1C[C@H]2O ZINC000123391383 187088738 /nfs/dbraw/zinc/08/87/38/187088738.db2.gz TUAKQCBZMOACQA-OQZODWCVSA-N 0 0 292.463 3.751 40 0 CHABRN CNc1ccc2oc(-c3cccc(OC)c3)nc2c1 ZINC000204730784 189684598 /nfs/dbraw/zinc/68/45/98/189684598.db2.gz LQPZHRMSJLCTBP-UHFFFAOYSA-N 0 0 254.289 3.545 40 0 CHABRN CCc1ccc(C(=O)Oc2c(C)cc(CO)cc2C)cc1 ZINC000216727766 189706331 /nfs/dbraw/zinc/70/63/31/189706331.db2.gz UQFLVYHCNNLVGS-UHFFFAOYSA-N 0 0 284.355 3.577 40 0 CHABRN NC(=O)CCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000216924463 189707094 /nfs/dbraw/zinc/70/70/94/189707094.db2.gz OFYRSWPEGZAMCU-UHFFFAOYSA-N 0 0 284.142 3.671 40 0 CHABRN COc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1C ZINC000224728132 189742562 /nfs/dbraw/zinc/74/25/62/189742562.db2.gz WAQLHTFNFBJPTG-UHFFFAOYSA-N 0 0 297.398 3.675 40 0 CHABRN Cc1ccc(C)c(CC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000224391968 189741778 /nfs/dbraw/zinc/74/17/78/189741778.db2.gz YDPJQBQZZYTXNE-MRXNPFEDSA-N 0 0 281.399 3.766 40 0 CHABRN CN(C)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000225108390 189743922 /nfs/dbraw/zinc/74/39/22/189743922.db2.gz IHXHRQXVJDZCCE-OAHLLOKOSA-N 0 0 290.451 3.620 40 0 CHABRN CCCCNC(=S)Nc1ccc2nc(CC)sc2c1 ZINC000225205870 189745423 /nfs/dbraw/zinc/74/54/23/189745423.db2.gz CPZDLZFUWMIQKU-UHFFFAOYSA-N 0 0 293.461 3.945 40 0 CHABRN CC(C)(C)SCCNC(=S)Nc1ccccc1F ZINC000225350520 189747832 /nfs/dbraw/zinc/74/78/32/189747832.db2.gz RWZYZHHDDCBHMJ-UHFFFAOYSA-N 0 0 286.441 3.644 40 0 CHABRN COC(=O)c1ccc(Nc2cccc3ccccc32)c(N)c1 ZINC000225421326 189750592 /nfs/dbraw/zinc/75/05/92/189750592.db2.gz SFOMLNGOFQRUSK-UHFFFAOYSA-N 0 0 292.338 3.952 40 0 CHABRN Cc1cc(C)cc(Nc2ccc(C(=O)NC(C)C)cc2N)c1 ZINC000225419660 189750640 /nfs/dbraw/zinc/75/06/40/189750640.db2.gz ZXXCYRGPTCLUNE-UHFFFAOYSA-N 0 0 297.402 3.767 40 0 CHABRN CCCNC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1 ZINC000225466848 189753087 /nfs/dbraw/zinc/75/30/87/189753087.db2.gz SORQLUPXLHBUDG-UHFFFAOYSA-N 0 0 297.402 3.715 40 0 CHABRN Cc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccn2)cc1 ZINC000225470910 189753313 /nfs/dbraw/zinc/75/33/13/189753313.db2.gz VSMKSFWUDHBQEZ-CYBMUJFWSA-N 0 0 285.416 3.746 40 0 CHABRN COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2C)cc1 ZINC000225523799 189755856 /nfs/dbraw/zinc/75/58/56/189755856.db2.gz XGPSHZSCSHBADY-AWEZNQCLSA-N 0 0 283.371 3.803 40 0 CHABRN CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 ZINC000225612612 189759392 /nfs/dbraw/zinc/75/93/92/189759392.db2.gz LOHUYTPGPXXBMN-INIZCTEOSA-N 0 0 279.380 3.537 40 0 CHABRN CCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000225651641 189760922 /nfs/dbraw/zinc/76/09/22/189760922.db2.gz AMHLBDGGQBXAQM-KRWDZBQOSA-N 0 0 293.407 3.926 40 0 CHABRN Nc1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296909 189771645 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/nfs/dbraw/zinc/38/37/32/570383732.db2.gz FGDGJJNJEUYMFK-UHFFFAOYSA-N 0 0 262.316 3.964 40 0 CHABRN OCCCc1c[nH]c2c1cc(Cl)cc2Br ZINC000252507907 570391723 /nfs/dbraw/zinc/39/17/23/570391723.db2.gz WWPCUCIIIQPWKO-UHFFFAOYSA-N 0 0 288.572 3.509 40 0 CHABRN CC(C)Oc1nc2ccc(C(F)(F)F)cc2cc1N ZINC000685938613 570405562 /nfs/dbraw/zinc/40/55/62/570405562.db2.gz QPEHESNALRPEMJ-UHFFFAOYSA-N 0 0 270.254 3.623 40 0 CHABRN CCc1cccc(C)c1NC(=O)c1ccc(N)c(C)c1 ZINC000019397731 570407957 /nfs/dbraw/zinc/40/79/57/570407957.db2.gz HSMWFYLIWINXTK-UHFFFAOYSA-N 0 0 268.360 3.700 40 0 CHABRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000028817532 570409212 /nfs/dbraw/zinc/40/92/12/570409212.db2.gz WTPSGAGGBLVYRS-UHFFFAOYSA-N 0 0 269.053 3.975 40 0 CHABRN CCc1nc(C)ccc1Oc1ccc(Br)cn1 ZINC000232204358 570410536 /nfs/dbraw/zinc/41/05/36/570410536.db2.gz YMXVNVWJHWSTDM-UHFFFAOYSA-N 0 0 293.164 3.902 40 0 CHABRN Cc1cccnc1NC(=S)NCc1ccc(Cl)cc1 ZINC000013837346 1125512086 /nfs/dbraw/zinc/51/20/86/1125512086.db2.gz 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280.327 3.830 40 0 CHABRN c1ccc2c(c1)CO[C@H](c1ccnc3ccccc31)N2 ZINC000014000561 1120244958 /nfs/dbraw/zinc/24/49/58/1120244958.db2.gz PULAZGOMJZYJQP-QGZVFWFLSA-N 0 0 262.312 3.876 40 0 CHABRN C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1C ZINC000017007898 1120392681 /nfs/dbraw/zinc/39/26/81/1120392681.db2.gz FYNCDKRQFLAWQU-DNRKLUKYSA-N 0 0 278.223 3.511 40 0 CHABRN CCCn1c(C)nc2cc(Br)ccc21 ZINC000256050280 1120430581 /nfs/dbraw/zinc/43/05/81/1120430581.db2.gz DLVRSPSJYBKEPJ-UHFFFAOYSA-N 0 0 253.143 3.517 40 0 CHABRN CN1C[C@H]2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1=O ZINC000095079907 1120993996 /nfs/dbraw/zinc/99/39/96/1120993996.db2.gz IHRQBJYWHVRTCP-XJKSGUPXSA-N 0 0 299.757 3.785 40 0 CHABRN Cc1c(N)cccc1[C@@H](O)c1cccc2ccccc21 ZINC000226294489 1123525962 /nfs/dbraw/zinc/52/59/62/1123525962.db2.gz KNWWJRIKCYOLHJ-GOSISDBHSA-N 0 0 263.340 3.812 40 0 CHABRN CC[C@H](NC(=O)C1CC1)c1ccc2c(c1)CCCC2 ZINC000170569661 1125341595 /nfs/dbraw/zinc/34/15/95/1125341595.db2.gz HGJWKTGIKWSKMI-INIZCTEOSA-N 0 0 257.377 3.543 40 0 CHABRN Cc1c(N)cccc1-c1ccc(C(=O)N2CCC[C@@H](C)C2)o1 ZINC000226304972 1125435695 /nfs/dbraw/zinc/43/56/95/1125435695.db2.gz MRJSQGBQPDQDPS-GFCCVEGCSA-N 0 0 298.386 3.709 40 0 CHABRN Cc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 ZINC000223349149 1125441241 /nfs/dbraw/zinc/44/12/41/1125441241.db2.gz ANBBGBWHFGAPPB-OAHLLOKOSA-N 0 0 279.383 3.824 40 0 CHABRN CCOc1ccc(NC(=O)c2cc3ccccc3o2)c(N)c1 ZINC000226347235 1131406231 /nfs/dbraw/zinc/40/62/31/1131406231.db2.gz DKRKTYUROGCXHB-UHFFFAOYSA-N 0 0 296.326 3.666 40 0 CHABRN COc1cccc(-c2nc3c(cc(OC)cc3Cl)[nH]2)c1 ZINC000216916875 1130864330 /nfs/dbraw/zinc/86/43/30/1130864330.db2.gz OVNLWMCWPLDELQ-UHFFFAOYSA-N 0 0 288.734 3.901 40 0 CHABRN COc1cc2[nH]c(-c3cccc(N)c3C)nc2c(Cl)c1 ZINC000216917794 1130864423 /nfs/dbraw/zinc/86/44/23/1130864423.db2.gz WHCMSKWLUCTXMF-UHFFFAOYSA-N 0 0 287.750 3.783 40 0 CHABRN CCCCOc1cccc(C(=O)Nc2ccccc2N)c1 ZINC000226349374 1131851446 /nfs/dbraw/zinc/85/14/46/1131851446.db2.gz MWVLBEATYSJKIR-UHFFFAOYSA-N 0 0 284.359 3.700 40 0 CHABRN C[C@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1 ZINC000006416593 230369737 /nfs/dbraw/zinc/36/97/37/230369737.db2.gz ZAHJSAQGAWPOMW-JTQLQIEISA-N 0 0 268.813 3.911 40 0 CHABRN CC(C)Oc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 ZINC000095730875 185022509 /nfs/dbraw/zinc/02/25/09/185022509.db2.gz VCXMHOYRQJSSDT-UHFFFAOYSA-N 0 0 282.208 3.854 40 0 CHABRN O=Cc1cccc(OCc2cccc(Cl)c2F)c1 ZINC000095738607 185023575 /nfs/dbraw/zinc/02/35/75/185023575.db2.gz ZYIKJVJOAMEYDB-UHFFFAOYSA-N 0 0 264.683 3.871 40 0 CHABRN CCOC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000095751698 185025724 /nfs/dbraw/zinc/02/57/24/185025724.db2.gz DNZPLBOXVIFUSA-UHFFFAOYSA-N 0 0 267.737 3.640 40 0 CHABRN O=C(c1ccc(Cl)c(F)c1)C(F)(F)C(F)(F)F ZINC000095916297 185030433 /nfs/dbraw/zinc/03/04/33/185030433.db2.gz RKDOCNTXMAMBBB-UHFFFAOYSA-N 0 0 276.563 3.859 40 0 CHABRN COc1cccc(NC(=O)CCc2ccc(C)c(C)c2)c1 ZINC000096621630 185108232 /nfs/dbraw/zinc/10/82/32/185108232.db2.gz NLTLCYQIULGUFH-UHFFFAOYSA-N 0 0 283.371 3.883 40 0 CHABRN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)C(C)(C)C ZINC000226253416 136386382 /nfs/dbraw/zinc/38/63/82/136386382.db2.gz LUSFDUUEFBPUAH-LBPRGKRZSA-N 0 0 289.423 3.632 40 0 CHABRN CCc1cc(N)cc(Br)c1N1CCC(C)CC1 ZINC000226315257 136386851 /nfs/dbraw/zinc/38/68/51/136386851.db2.gz DYLBSOJDSZDNRL-UHFFFAOYSA-N 0 0 297.240 3.830 40 0 CHABRN CCc1ccc(CC(=O)Nc2ccccc2C)cc1 ZINC000128105220 187352266 /nfs/dbraw/zinc/35/22/66/187352266.db2.gz OJQWWRJRVOLKML-UHFFFAOYSA-N 0 0 253.345 3.739 40 0 CHABRN COc1ccc2c(C)cc(C)nc2c1Br ZINC000085385469 179046397 /nfs/dbraw/zinc/04/63/97/179046397.db2.gz PIECJBRMDVSIRC-UHFFFAOYSA-N 0 0 266.138 3.623 40 0 CHABRN Cc1cc2nc(Br)ccc2c(C)c1C ZINC000085386325 179047356 /nfs/dbraw/zinc/04/73/56/179047356.db2.gz IOXJUPSSRWMQMO-UHFFFAOYSA-N 0 0 250.139 3.923 40 0 CHABRN CCOC(=O)c1c(OC)c(Cl)c2ccccc2c1OC ZINC000085392716 179048469 /nfs/dbraw/zinc/04/84/69/179048469.db2.gz MJOIXIHEEWRORV-UHFFFAOYSA-N 0 0 294.734 3.687 40 0 CHABRN C[C@H]1COc2ccc3cc(Br)ccc3c2C1=O ZINC000085399414 179051108 /nfs/dbraw/zinc/05/11/08/179051108.db2.gz GFGHGDFGWNVGCG-QMMMGPOBSA-N 0 0 291.144 3.814 40 0 CHABRN COC(=O)[C@@H](C)N1c2ccc(Cl)cc2C(C)=CC1(C)C ZINC000223192597 136583697 /nfs/dbraw/zinc/58/36/97/136583697.db2.gz YGJHPKSBIURIQA-LLVKDONJSA-N 0 0 293.794 3.903 40 0 CHABRN O=C(C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Cl)cc1 ZINC000104817535 186025565 /nfs/dbraw/zinc/02/55/65/186025565.db2.gz NGZZLTWPPYNTTL-ZDUSSCGKSA-N 0 0 285.730 3.649 40 0 CHABRN CC(C)N(CC1CCCCC1)c1nc(N)cs1 ZINC000110753868 186319699 /nfs/dbraw/zinc/31/96/99/186319699.db2.gz KACOZLNKQSDSRY-UHFFFAOYSA-N 0 0 253.415 3.520 40 0 CHABRN CCOc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1 ZINC000140287416 187907655 /nfs/dbraw/zinc/90/76/55/187907655.db2.gz LNLLQDCCHVYAEO-UHFFFAOYSA-N 0 0 295.342 3.693 40 0 CHABRN Nc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000158760371 188392894 /nfs/dbraw/zinc/39/28/94/188392894.db2.gz IJBCALCRXDOQAC-UHFFFAOYSA-N 0 0 286.762 3.593 40 0 CHABRN Cc1ccccc1Nc1cc(Cl)nc(-c2cccnc2)n1 ZINC000328977390 202137635 /nfs/dbraw/zinc/13/76/35/202137635.db2.gz FTYHZAQLKPAORY-UHFFFAOYSA-N 0 0 296.761 3.666 40 0 CHABRN CC(=O)Nc1cccc(/C=C/c2nc3ccccc3[nH]2)c1 ZINC000003845345 541319156 /nfs/dbraw/zinc/31/91/56/541319156.db2.gz ZCCBKTRCCOYLJF-MDZDMXLPSA-N 0 0 277.327 3.692 40 0 CHABRN Cc1ccc(C)c(C(=O)NCCOc2cccc(C)c2C)c1 ZINC000223967569 189740420 /nfs/dbraw/zinc/74/04/20/189740420.db2.gz LGCJENJWSYSNQK-UHFFFAOYSA-N 0 0 297.398 3.729 40 0 CHABRN O=C(Cc1ccc(Cl)cc1F)Nc1cccc(F)c1 ZINC000224542729 189742401 /nfs/dbraw/zinc/74/24/01/189742401.db2.gz AULJLDSAOZIHPE-UHFFFAOYSA-N 0 0 281.689 3.799 40 0 CHABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCC2CCCCC2)c1 ZINC000224296506 189741653 /nfs/dbraw/zinc/74/16/53/189741653.db2.gz RGUANHOWXCJUBQ-OAHLLOKOSA-N 0 0 289.419 3.767 40 0 CHABRN CCCCCNC(=S)Nc1ccc(OC)c(Cl)c1 ZINC000225377933 189748582 /nfs/dbraw/zinc/74/85/82/189748582.db2.gz IAUCURVRJNQTPL-UHFFFAOYSA-N 0 0 286.828 3.825 40 0 CHABRN CCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C ZINC000225464971 189752972 /nfs/dbraw/zinc/75/29/72/189752972.db2.gz NFNDLPYMHGIDDO-UHFFFAOYSA-N 0 0 297.402 3.769 40 0 CHABRN COC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1C ZINC000225472935 189753702 /nfs/dbraw/zinc/75/37/02/189753702.db2.gz SKEFDSZKWGLBOK-UHFFFAOYSA-N 0 0 290.750 3.761 40 0 CHABRN CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 ZINC000225632840 189760201 /nfs/dbraw/zinc/76/02/01/189760201.db2.gz XLHHRVLSCFRCTK-CXAGYDPISA-N 0 0 291.391 3.619 40 0 CHABRN CCN(CC)C(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225654358 189761079 /nfs/dbraw/zinc/76/10/79/189761079.db2.gz MLRLHGLSUNEBAD-UHFFFAOYSA-N 0 0 263.381 3.609 40 0 CHABRN Cc1ccc([C@@H](C)NC(=S)Nc2cccnc2)cc1C ZINC000225708747 189762567 /nfs/dbraw/zinc/76/25/67/189762567.db2.gz QWABFKXUEARIEG-CYBMUJFWSA-N 0 0 285.416 3.746 40 0 CHABRN CCCCn1c(C=O)ccc1Cc1ccc(C)cc1 ZINC000226029604 189768705 /nfs/dbraw/zinc/76/87/05/189768705.db2.gz QKNSCLSLUPYEKQ-UHFFFAOYSA-N 0 0 255.361 4.000 40 0 CHABRN CCCNC(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225771141 189764202 /nfs/dbraw/zinc/76/42/02/189764202.db2.gz MFRJKNKIGPUBPV-CQSZACIVSA-N 0 0 290.407 3.778 40 0 CHABRN c1ccn(-c2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000226246836 189770397 /nfs/dbraw/zinc/77/03/97/189770397.db2.gz IQEXUXQAQYLUBZ-UHFFFAOYSA-N 0 0 261.284 3.681 40 0 CHABRN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2)o1 ZINC000226304660 189771741 /nfs/dbraw/zinc/77/17/41/189771741.db2.gz DOCABOFQJZHFHF-STQMWFEESA-N 0 0 298.386 3.932 40 0 CHABRN Cc1cc(NCc2ccc(F)s2)nn1C(C)C ZINC000256053232 190004890 /nfs/dbraw/zinc/00/48/90/190004890.db2.gz QPNBAXBHYZVIOH-UHFFFAOYSA-N 0 0 253.346 3.585 40 0 CHABRN CC[C@H](C)n1ccc(NCc2cn(C(C)C)nc2C)n1 ZINC000256053705 190004974 /nfs/dbraw/zinc/00/49/74/190004974.db2.gz SNDMYJMCNVZXPF-LBPRGKRZSA-N 0 0 275.400 3.552 40 0 CHABRN CC[C@@H](C)n1nccc1CNc1nn(C(C)C)cc1C ZINC000256054042 190005019 /nfs/dbraw/zinc/00/50/19/190005019.db2.gz USVLRZYJSFQLCO-CYBMUJFWSA-N 0 0 275.400 3.552 40 0 CHABRN CC[C@H](C)n1ccc(NCc2cc(F)ccc2F)n1 ZINC000256052362 190004123 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CC(C)[C@H](C)NC(=S)Nc1ccc(Cl)cc1 ZINC000011095298 567861763 /nfs/dbraw/zinc/86/17/63/567861763.db2.gz VWRYLRFUTDHDPS-VIFPVBQESA-N 0 0 256.802 3.671 40 0 CHABRN CC(C)[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 ZINC000011095296 567861918 /nfs/dbraw/zinc/86/19/18/567861918.db2.gz VWRYLRFUTDHDPS-SECBINFHSA-N 0 0 256.802 3.671 40 0 CHABRN O[C@H](CCC1OCCCO1)c1ccc(Cl)cc1Cl ZINC000059654124 567863564 /nfs/dbraw/zinc/86/35/64/567863564.db2.gz WNIBCTBMWCXZCT-GFCCVEGCSA-N 0 0 291.174 3.570 40 0 CHABRN COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000013710244 567867000 /nfs/dbraw/zinc/86/70/00/567867000.db2.gz JOATUORCDNWUCQ-AWEZNQCLSA-N 0 0 299.370 3.718 40 0 CHABRN CC(C)CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013708553 567867164 /nfs/dbraw/zinc/86/71/64/567867164.db2.gz TWAMCZAIDHVOBH-AWEZNQCLSA-N 0 0 285.387 3.769 40 0 CHABRN CCCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013708546 567867183 /nfs/dbraw/zinc/86/71/83/567867183.db2.gz FGHJFTUQQIMLJA-AWEZNQCLSA-N 0 0 285.387 3.914 40 0 CHABRN CCCCCNC(=S)Nc1ccc(C)c(C)c1 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/nfs/dbraw/zinc/87/42/27/567874227.db2.gz DDCCHZTWYUSBQS-UHFFFAOYSA-N 0 0 276.339 3.910 40 0 CHABRN CCc1ccc(NC(=O)/C=C\c2ccccc2)cc1 ZINC000017021660 567874555 /nfs/dbraw/zinc/87/45/55/567874555.db2.gz GIKXDECTKUYAMO-RAXLEYEMSA-N 0 0 251.329 3.901 40 0 CHABRN CCc1ccccc1NC(=O)CCc1ccc(F)cc1 ZINC000018119030 567876562 /nfs/dbraw/zinc/87/65/62/567876562.db2.gz WDMBMCYDILTPDA-UHFFFAOYSA-N 0 0 271.335 3.959 40 0 CHABRN Cc1ccc(C(=O)NCc2ccccc2C)c(C)c1 ZINC000018833913 567876846 /nfs/dbraw/zinc/87/68/46/567876846.db2.gz RBHYFUMUHYMFPI-UHFFFAOYSA-N 0 0 253.345 3.542 40 0 CHABRN O=C(CCC1CCCC1)Nc1c(F)cccc1F ZINC000019075222 567877052 /nfs/dbraw/zinc/87/70/52/567877052.db2.gz BSGSNQDETQZUSG-UHFFFAOYSA-N 0 0 253.292 3.874 40 0 CHABRN Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1Cl ZINC000019293162 567877507 /nfs/dbraw/zinc/87/75/07/567877507.db2.gz QQVNBXBVKFVKFZ-UHFFFAOYSA-N 0 0 273.698 3.931 40 0 CHABRN Nc1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000019771758 567879035 /nfs/dbraw/zinc/87/90/35/567879035.db2.gz MIEDCKXMMQMZEQ-UHFFFAOYSA-N 0 0 271.707 3.639 40 0 CHABRN Cc1ccc(CC(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000020110996 567880786 /nfs/dbraw/zinc/88/07/86/567880786.db2.gz UFTBTRLCPCPEGG-UHFFFAOYSA-N 0 0 297.398 3.641 40 0 CHABRN Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C)c(C)c1 ZINC000020050580 567880853 /nfs/dbraw/zinc/88/08/53/567880853.db2.gz SSWLFVDZSXMWAL-MRXNPFEDSA-N 0 0 297.398 3.868 40 0 CHABRN CCOc1cccc(CNC(=O)/C=C/c2ccc(C)cc2)c1 ZINC000020107619 567880876 /nfs/dbraw/zinc/88/08/76/567880876.db2.gz QFSGGXVUSSRXIU-VAWYXSNFSA-N 0 0 295.382 3.723 40 0 CHABRN CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1 ZINC000020636615 567881006 /nfs/dbraw/zinc/88/10/06/567881006.db2.gz ANOMHRRXEXOOOF-KRWDZBQOSA-N 0 0 266.344 3.885 40 0 CHABRN Cc1ccccc1CNC(=S)Nc1ccc(F)cc1F ZINC000023105711 567881418 /nfs/dbraw/zinc/88/14/18/567881418.db2.gz CMYLZDAMSNNEFS-UHFFFAOYSA-N 0 0 292.354 3.760 40 0 CHABRN O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCC2 ZINC000024176719 567882458 /nfs/dbraw/zinc/88/24/58/567882458.db2.gz RARPTLNPGOWSTJ-UHFFFAOYSA-N 0 0 269.319 3.957 40 0 CHABRN Fc1ccc(-n2ncc3c2-c2ccccc2CC3)cc1 ZINC000026897143 567883304 /nfs/dbraw/zinc/88/33/04/567883304.db2.gz OTCHVKAGRFQYOF-UHFFFAOYSA-N 0 0 264.303 3.777 40 0 CHABRN COCc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000029144093 567883958 /nfs/dbraw/zinc/88/39/58/567883958.db2.gz VMMDSCIFALBKMQ-UHFFFAOYSA-N 0 0 289.762 3.668 40 0 CHABRN C[C@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000028671666 567883980 /nfs/dbraw/zinc/88/39/80/567883980.db2.gz PRMXOCPVKMCNTB-HNNXBMFYSA-N 0 0 293.410 3.985 40 0 CHABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(C)c2)cc1 ZINC000030753836 567884732 /nfs/dbraw/zinc/88/47/32/567884732.db2.gz WCFZCXVEHMGVKF-CQSZACIVSA-N 0 0 253.345 3.794 40 0 CHABRN Cc1cccc(CNC(=O)c2cc3ccccc3o2)c1 ZINC000031107541 567885292 /nfs/dbraw/zinc/88/52/92/567885292.db2.gz ZMVYXBZDZSCIRU-UHFFFAOYSA-N 0 0 265.312 3.671 40 0 CHABRN CCOc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC ZINC000069048473 567886790 /nfs/dbraw/zinc/88/67/90/567886790.db2.gz ZTKCYPQEZGRGIA-UHFFFAOYSA-N 0 0 299.370 3.963 40 0 CHABRN CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccccc1 ZINC000036562511 567889346 /nfs/dbraw/zinc/88/93/46/567889346.db2.gz ZVZWACWYMZXSOY-CLVCIHKQSA-N 0 0 295.382 3.976 40 0 CHABRN CC(C)(C)OC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000036878882 567889833 /nfs/dbraw/zinc/88/98/33/567889833.db2.gz FJIBTJVKKCLUBL-UHFFFAOYSA-N 0 0 294.370 3.637 40 0 CHABRN O=C(c1cccs1)c1ccccc1Br ZINC000036942572 567889898 /nfs/dbraw/zinc/88/98/98/567889898.db2.gz UBIACPJPSJPEDB-UHFFFAOYSA-N 0 0 267.147 3.742 40 0 CHABRN Fc1ccc(-c2nc(Cl)cc(-c3cccnc3)n2)cc1 ZINC000073695396 567890176 /nfs/dbraw/zinc/89/01/76/567890176.db2.gz WVXJITAWABCVNM-UHFFFAOYSA-N 0 0 285.709 3.998 40 0 CHABRN Cc1cccc2cc(C(=O)Nc3ccccc3)oc21 ZINC000041306620 567890913 /nfs/dbraw/zinc/89/09/13/567890913.db2.gz JPCWVPVHQNEIHP-UHFFFAOYSA-N 0 0 251.285 3.994 40 0 CHABRN CCc1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000041326318 567891216 /nfs/dbraw/zinc/89/12/16/567891216.db2.gz WSFCCIBRWMUJQQ-UHFFFAOYSA-N 0 0 256.136 3.528 40 0 CHABRN O=C(Cc1ccccc1F)NC1CCCCCCC1 ZINC000048090452 567892671 /nfs/dbraw/zinc/89/26/71/567892671.db2.gz XRVXXFNMAJEDHA-UHFFFAOYSA-N 0 0 263.356 3.597 40 0 CHABRN Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)n1 ZINC000049467609 567893018 /nfs/dbraw/zinc/89/30/18/567893018.db2.gz OTYLZFXCSQFTCF-UHFFFAOYSA-N 0 0 295.173 3.987 40 0 CHABRN CCSc1nc(N)cc(Nc2ccccc2Cl)n1 ZINC000049467551 567893163 /nfs/dbraw/zinc/89/31/63/567893163.db2.gz FOVCCZDZNGUFCS-UHFFFAOYSA-N 0 0 280.784 3.568 40 0 CHABRN CCSc1nc(N)cc(Nc2ccc(C)c(Cl)c2)n1 ZINC000049467510 567893275 /nfs/dbraw/zinc/89/32/75/567893275.db2.gz SVWOFLAYFVTBPM-UHFFFAOYSA-N 0 0 294.811 3.876 40 0 CHABRN CCc1cc(N)cc2nc(-c3ccc(OC)c(OC)c3)oc21 ZINC000073642646 567893604 /nfs/dbraw/zinc/89/36/04/567893604.db2.gz XVFSUKKYTBTTOB-UHFFFAOYSA-N 0 0 298.342 3.657 40 0 CHABRN CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000049930423 567893860 /nfs/dbraw/zinc/89/38/60/567893860.db2.gz ZLWJNUOYLJTKNM-UHFFFAOYSA-N 0 0 291.753 3.680 40 0 CHABRN C[C@]12CC(=O)C[C@H]1[C@H]1CCc3cc(O)ccc3[C@H]1CC2 ZINC000058200756 567895581 /nfs/dbraw/zinc/89/55/81/567895581.db2.gz VUQQUDLAAJRNMK-OWSLCNJRSA-N 0 0 270.372 3.817 40 0 CHABRN CCC(=O)c1cccc2[nH]cc(Br)c21 ZINC000096509803 567897688 /nfs/dbraw/zinc/89/76/88/567897688.db2.gz YIAKZCDSLMNDJC-UHFFFAOYSA-N 0 0 252.111 3.523 40 0 CHABRN C[C@H]1CC[C@H]1COc1ccccc1Br ZINC000096526372 567898018 /nfs/dbraw/zinc/89/80/18/567898018.db2.gz LZCBTBCGABMWER-UWVGGRQHSA-N 0 0 255.155 3.874 40 0 CHABRN COC(=O)c1sc(Cl)cc1OCc1ccccc1 ZINC000096510902 567898022 /nfs/dbraw/zinc/89/80/22/567898022.db2.gz AMAAFPZICPRULI-UHFFFAOYSA-N 0 0 282.748 3.767 40 0 CHABRN Nc1cccc(OCc2csc(C3CCC3)n2)c1 ZINC000096528648 567898046 /nfs/dbraw/zinc/89/80/46/567898046.db2.gz JSFSKOCHNMMMRM-UHFFFAOYSA-N 0 0 260.362 3.572 40 0 CHABRN COC(=O)c1cc(OCc2ccc(Cl)cc2)cs1 ZINC000096511073 567898137 /nfs/dbraw/zinc/89/81/37/567898137.db2.gz BPTONVPHSOATOI-UHFFFAOYSA-N 0 0 282.748 3.767 40 0 CHABRN CN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 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567906871 /nfs/dbraw/zinc/90/68/71/567906871.db2.gz HYXCVBJELTZTJY-UHFFFAOYSA-N 0 0 295.386 3.515 40 0 CHABRN Cc1ccc(-c2noc(-c3ccc(N)cc3)n2)c(C)c1 ZINC000089262402 567907409 /nfs/dbraw/zinc/90/74/09/567907409.db2.gz XVTDJGJBGPFBHQ-UHFFFAOYSA-N 0 0 265.316 3.603 40 0 CHABRN OCc1cc(Cl)ccc1OCc1ccccc1F ZINC000016991151 567909427 /nfs/dbraw/zinc/90/94/27/567909427.db2.gz AVOYULGTTVPZTD-UHFFFAOYSA-N 0 0 266.699 3.550 40 0 CHABRN COC(=O)[C@@]1(C)[C@@]2(C)c3cccc4cccc(c34)[C@@]12C ZINC000100809531 567913932 /nfs/dbraw/zinc/91/39/32/567913932.db2.gz LZCPNBGUKPUDNP-BCDXTJNWSA-N 0 0 266.340 3.562 40 0 CHABRN Cc1ccnc([C@@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000072211221 567917434 /nfs/dbraw/zinc/91/74/34/567917434.db2.gz OBFAIJKWHHFJES-KRWDZBQOSA-N 0 0 280.371 3.757 40 0 CHABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1ccncc1 ZINC000072211026 567917445 /nfs/dbraw/zinc/91/74/45/567917445.db2.gz NBFSIJWSDJGMBW-INIZCTEOSA-N 0 0 282.343 3.555 40 0 CHABRN Cc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072211235 567917494 /nfs/dbraw/zinc/91/74/94/567917494.db2.gz HTWPDSSQQWXQMM-QGZVFWFLSA-N 0 0 296.370 3.864 40 0 CHABRN Cc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072211287 567917504 /nfs/dbraw/zinc/91/75/04/567917504.db2.gz UUGWLOVLIBPQGF-QGZVFWFLSA-N 0 0 296.370 3.864 40 0 CHABRN c1ccc(Oc2ncccc2C2=NCCCC2)cc1 ZINC000072212210 567918114 /nfs/dbraw/zinc/91/81/14/567918114.db2.gz RBMKKQRDNQQMGM-UHFFFAOYSA-N 0 0 252.317 3.847 40 0 CHABRN CSc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072216939 567920897 /nfs/dbraw/zinc/92/08/97/567920897.db2.gz LAGPSRZJWXODAL-LBPRGKRZSA-N 0 0 294.420 3.876 40 0 CHABRN CCCCC[C@H](OC)c1ccc(CC(=O)OC)cc1 ZINC000072220179 567921962 /nfs/dbraw/zinc/92/19/62/567921962.db2.gz DTMXOCCTRGPZGX-HNNXBMFYSA-N 0 0 264.365 3.670 40 0 CHABRN CCC(=O)c1cnc(N(C)c2ccccc2)c(C)c1 ZINC000072222300 567922204 /nfs/dbraw/zinc/92/22/04/567922204.db2.gz PFCMFMZLETWKEF-UHFFFAOYSA-N 0 0 254.333 3.751 40 0 CHABRN CC[C@@H](O)c1cnc(N(C)c2ccccc2)c(C)c1 ZINC000072222305 567922251 /nfs/dbraw/zinc/92/22/51/567922251.db2.gz LUFOKLQDZZELNW-OAHLLOKOSA-N 0 0 256.349 3.601 40 0 CHABRN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccoc1 ZINC000072221624 567922279 /nfs/dbraw/zinc/92/22/79/567922279.db2.gz DAFLONKDRIESFK-GFCCVEGCSA-N 0 0 251.326 3.742 40 0 CHABRN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccco1 ZINC000072221569 567922374 /nfs/dbraw/zinc/92/23/74/567922374.db2.gz XFMRBFGFKMIXOX-LLVKDONJSA-N 0 0 251.326 3.742 40 0 CHABRN CC[C@H](O)c1ccc(SC2CCCCC2)nc1 ZINC000072225721 567922636 /nfs/dbraw/zinc/92/26/36/567922636.db2.gz BXRUAZOWDZTUKQ-ZDUSSCGKSA-N 0 0 251.395 3.950 40 0 CHABRN CCC(=O)c1ccc(N2CCCc3ccccc32)nc1 ZINC000072225783 567922709 /nfs/dbraw/zinc/92/27/09/567922709.db2.gz JSRNPMBUCXFEAQ-UHFFFAOYSA-N 0 0 266.344 3.759 40 0 CHABRN O=C(Nc1ccc2nccnc2c1)c1cccc(Cl)c1 ZINC000047179063 567923966 /nfs/dbraw/zinc/92/39/66/567923966.db2.gz OMVLJXLFTZFTLU-UHFFFAOYSA-N 0 0 283.718 3.536 40 0 CHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C ZINC000113950444 567926534 /nfs/dbraw/zinc/92/65/34/567926534.db2.gz QIVVLMILMJZMAU-KRWDZBQOSA-N 0 0 299.370 3.800 40 0 CHABRN CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCCC1 ZINC000113954403 567926536 /nfs/dbraw/zinc/92/65/36/567926536.db2.gz AKBLMUUNLWBKNP-ZDUSSCGKSA-N 0 0 281.783 3.556 40 0 CHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1 ZINC000113950882 567926540 /nfs/dbraw/zinc/92/65/40/567926540.db2.gz YHZKYIZKVGRUPL-KRWDZBQOSA-N 0 0 297.398 3.777 40 0 CHABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(C)C1=O ZINC000006356038 567927374 /nfs/dbraw/zinc/92/73/74/567927374.db2.gz WVEOJHSUNIRFKA-YWEFTTLKSA-N 0 0 291.372 3.530 40 0 CHABRN Cc1ccc(C(=O)Sc2nc3ccccc3[nH]2)cc1 ZINC000051075339 567929204 /nfs/dbraw/zinc/92/92/04/567929204.db2.gz KKOALEXCQUYBAC-UHFFFAOYSA-N 0 0 268.341 3.804 40 0 CHABRN CCn1c(-c2ccccc2)ccc1[C@@H](O)C(F)(F)F ZINC000000135485 567929307 /nfs/dbraw/zinc/92/93/07/567929307.db2.gz BNJMAOUJRSSOLL-CYBMUJFWSA-N 0 0 269.266 3.771 40 0 CHABRN Cc1cc2nnc(SC(C)C)n2c2ccccc12 ZINC000000421065 567929734 /nfs/dbraw/zinc/92/97/34/567929734.db2.gz QVLJKADTAWKKPF-UHFFFAOYSA-N 0 0 257.362 3.691 40 0 CHABRN Fc1ccc(-c2nnc(SCc3cccnc3)o2)cc1 ZINC000000415885 567929924 /nfs/dbraw/zinc/92/99/24/567929924.db2.gz FOROGFYPZSCSGH-UHFFFAOYSA-N 0 0 287.319 3.563 40 0 CHABRN CN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 ZINC000000417759 567929962 /nfs/dbraw/zinc/92/99/62/567929962.db2.gz ZTWZBRODJLTDEC-UHFFFAOYSA-N 0 0 284.340 3.680 40 0 CHABRN CCc1cc2ccccc2nc1SCC(=O)OC(C)C ZINC000000413282 567929974 /nfs/dbraw/zinc/92/99/74/567929974.db2.gz WYBPPYDJAFUPQJ-UHFFFAOYSA-N 0 0 289.400 3.841 40 0 CHABRN Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1 ZINC000000422922 567931281 /nfs/dbraw/zinc/93/12/81/567931281.db2.gz OFJKQOVHGJKGRK-YJBOKZPZSA-N 0 0 294.354 3.765 40 0 CHABRN O=C(c1cccnc1Nc1ccccc1F)N1CCCCC1 ZINC000001340632 567931846 /nfs/dbraw/zinc/93/18/46/567931846.db2.gz KYCVXWRTBLFAHO-UHFFFAOYSA-N 0 0 299.349 3.590 40 0 CHABRN CCNC(=O)c1ccc(CSCc2ccccc2)cc1 ZINC000408782453 567933240 /nfs/dbraw/zinc/93/32/40/567933240.db2.gz ITDPOMJCMDQROX-UHFFFAOYSA-N 0 0 285.412 3.870 40 0 CHABRN CCOc1cc(C(=O)N(CC)CC)cc(Cl)c1OCC ZINC000409370307 567935130 /nfs/dbraw/zinc/93/51/30/567935130.db2.gz OQXIAQLLPSYPOE-UHFFFAOYSA-N 0 0 299.798 3.619 40 0 CHABRN CCCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000172883919 567935195 /nfs/dbraw/zinc/93/51/95/567935195.db2.gz BLFGNOGXXZXLQM-UHFFFAOYSA-N 0 0 267.177 3.567 40 0 CHABRN Cc1ccc(/C=C/C(=O)NCCSC(C)(C)C)cc1 ZINC000409409568 567935467 /nfs/dbraw/zinc/93/54/67/567935467.db2.gz IDSFJELBXDXNBW-MDZDMXLPSA-N 0 0 277.433 3.656 40 0 CHABRN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(O)cc1 ZINC000062714967 567938054 /nfs/dbraw/zinc/93/80/54/567938054.db2.gz ZVFCKZLLCUPFHD-RUDMXATFSA-N 0 0 273.719 3.698 40 0 CHABRN Cc1nc2ccc(NC(=O)N3CCC(C)CC3)cc2s1 ZINC000006223699 567938521 /nfs/dbraw/zinc/93/85/21/567938521.db2.gz BJTOWRJORHIXGZ-UHFFFAOYSA-N 0 0 289.404 3.869 40 0 CHABRN Cc1ccc(CC(=O)N2CCCc3ccccc32)cc1C ZINC000007608309 567938890 /nfs/dbraw/zinc/93/88/90/567938890.db2.gz QOITWINQWKTLJV-UHFFFAOYSA-N 0 0 279.383 3.825 40 0 CHABRN Cc1ccc2[nH]c(=NC(=O)OCC(F)(F)F)sc2c1 ZINC000109698254 567939070 /nfs/dbraw/zinc/93/90/70/567939070.db2.gz KIUDFSAQFXNLPX-UHFFFAOYSA-N 0 0 290.266 3.716 40 0 CHABRN CCC1CC(COc2ccc(Br)cn2)C1 ZINC000095093840 567940090 /nfs/dbraw/zinc/94/00/90/567940090.db2.gz SBKISHYPZOPWAI-UHFFFAOYSA-N 0 0 270.170 3.659 40 0 CHABRN Cc1nccc2c3cc(Br)ccc3[nH]c21 ZINC000013379706 567941443 /nfs/dbraw/zinc/94/14/43/567941443.db2.gz MGPZBLVKGVLQIV-UHFFFAOYSA-N 0 0 261.122 3.787 40 0 CHABRN Cc1ccc(C)c(O[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000013710128 567942127 /nfs/dbraw/zinc/94/21/27/567942127.db2.gz DEYTTWIUIVQVRO-CQSZACIVSA-N 0 0 275.392 3.520 40 0 CHABRN Fc1ccc(Cl)cc1-c1n[nH]c2c1CCCC2 ZINC000095098097 567942843 /nfs/dbraw/zinc/94/28/43/567942843.db2.gz LHZUXWFOOGYGOQ-UHFFFAOYSA-N 0 0 250.704 3.748 40 0 CHABRN CCOC(=O)c1nc(-c2cccc3ccccc32)[nH]c1C ZINC000052063973 567943008 /nfs/dbraw/zinc/94/30/08/567943008.db2.gz BULJPUNWEGWHTE-UHFFFAOYSA-N 0 0 280.327 3.715 40 0 CHABRN CCN(CC)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014400716 567943195 /nfs/dbraw/zinc/94/31/95/567943195.db2.gz SVWYCXZHHQCMFJ-GFCCVEGCSA-N 0 0 283.799 3.593 40 0 CHABRN Cc1sc2[nH]c(C=Cc3ccccc3)nc(=O)c2c1C ZINC000034070678 567944106 /nfs/dbraw/zinc/94/41/06/567944106.db2.gz FZZBQCPYUMANDD-CMDGGOBGSA-N 0 0 282.368 3.772 40 0 CHABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1O ZINC000019900693 567945133 /nfs/dbraw/zinc/94/51/33/567945133.db2.gz JUXLCDDPEQFWTJ-UHFFFAOYSA-N 0 0 277.751 3.975 40 0 CHABRN Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000222562904 567948927 /nfs/dbraw/zinc/94/89/27/567948927.db2.gz LDQXDQURANPRFO-UHFFFAOYSA-N 0 0 287.750 3.568 40 0 CHABRN CC(C)(C)C(=O)NCCSCc1ccccc1Cl ZINC000223185875 567949168 /nfs/dbraw/zinc/94/91/68/567949168.db2.gz FMXXJTHCOSUAIZ-UHFFFAOYSA-N 0 0 285.840 3.736 40 0 CHABRN CCOc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 ZINC000223101639 567949470 /nfs/dbraw/zinc/94/94/70/567949470.db2.gz QQPREEKBJGMZLT-UHFFFAOYSA-N 0 0 283.371 3.632 40 0 CHABRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)c1ccccc1 ZINC000034461566 567949480 /nfs/dbraw/zinc/94/94/80/567949480.db2.gz XPNLXLJSAOATSK-CQSZACIVSA-N 0 0 289.375 3.659 40 0 CHABRN CCc1ccc(CC)c(CNC(=O)Cc2cccs2)c1 ZINC000223425658 567950028 /nfs/dbraw/zinc/95/00/28/567950028.db2.gz ZYLIDBTWARSKKA-UHFFFAOYSA-N 0 0 287.428 3.732 40 0 CHABRN COC(=O)c1cccn1-c1cccc(Cl)c1Cl ZINC000223727417 567950450 /nfs/dbraw/zinc/95/04/50/567950450.db2.gz ZCXIEPJLGTWOMW-UHFFFAOYSA-N 0 0 270.115 3.571 40 0 CHABRN O=C(CCCOc1ccccc1)NCC1CCCCC1 ZINC000224142679 567951105 /nfs/dbraw/zinc/95/11/05/567951105.db2.gz NELPTPROUVOFEP-UHFFFAOYSA-N 0 0 275.392 3.542 40 0 CHABRN CC(C)Oc1ccc(C(=O)NCC2=CCCCC2)cc1 ZINC000224272490 567951138 /nfs/dbraw/zinc/95/11/38/567951138.db2.gz IWINAPHOMCDWAI-UHFFFAOYSA-N 0 0 273.376 3.704 40 0 CHABRN CCCOc1ccccc1CCCNC(=O)C(C)(C)C ZINC000224041695 567951164 /nfs/dbraw/zinc/95/11/64/567951164.db2.gz MDBZLHVYFYDWDH-UHFFFAOYSA-N 0 0 277.408 3.570 40 0 CHABRN CCCC[C@H](CC)CNS(=O)(=O)Cc1ccccc1C ZINC000224166781 567951180 /nfs/dbraw/zinc/95/11/80/567951180.db2.gz HCJBOWVCKJKPLU-HNNXBMFYSA-N 0 0 297.464 3.631 40 0 CHABRN Cc1ccccc1CS(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000224166500 567951184 /nfs/dbraw/zinc/95/11/84/567951184.db2.gz DHEFLTYQOPVOSD-UHFFFAOYSA-N 0 0 297.464 3.629 40 0 CHABRN COc1ccc(CCC(=O)N(C)c2ccccc2)cc1C ZINC000224124913 567951199 /nfs/dbraw/zinc/95/11/99/567951199.db2.gz SKIVHDWJAPZNQM-UHFFFAOYSA-N 0 0 283.371 3.599 40 0 CHABRN CCCC[C@H](CC)CNS(=O)(=O)Cc1cccc(C)c1 ZINC000224168442 567951370 /nfs/dbraw/zinc/95/13/70/567951370.db2.gz YLUDIQHUZRGTTM-HNNXBMFYSA-N 0 0 297.464 3.631 40 0 CHABRN CCCCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000225147240 567952206 /nfs/dbraw/zinc/95/22/06/567952206.db2.gz JPOMOIODSVKESN-AWEZNQCLSA-N 0 0 289.419 3.639 40 0 CHABRN Cc1ccc(CCCNC(=O)c2ccc(C)cc2C)cc1 ZINC000225096931 567952272 /nfs/dbraw/zinc/95/22/72/567952272.db2.gz SKEKTLHHRBIRIR-UHFFFAOYSA-N 0 0 281.399 3.974 40 0 CHABRN CCCC[C@@H](CC)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000225118411 567952372 /nfs/dbraw/zinc/95/23/72/567952372.db2.gz WJKQPYGPWQFUOP-NVXWUHKLSA-N 0 0 290.451 3.622 40 0 CHABRN Cc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)c(C)c1 ZINC000225057511 567952470 /nfs/dbraw/zinc/95/24/70/567952470.db2.gz QWRKYLAJVRJZDS-UHFFFAOYSA-N 0 0 297.398 3.729 40 0 CHABRN CC(C)CCNC(=S)Nc1ccc2sncc2c1 ZINC000225173151 567952798 /nfs/dbraw/zinc/95/27/98/567952798.db2.gz UNWXIXUIFLQHAE-UHFFFAOYSA-N 0 0 279.434 3.629 40 0 CHABRN Cc1cccc(NC(=S)NC(C(C)C)C(C)C)c1 ZINC000225325516 567952957 /nfs/dbraw/zinc/95/29/57/567952957.db2.gz VSFNMCSAVRRXNF-UHFFFAOYSA-N 0 0 264.438 3.962 40 0 CHABRN COc1ccc(NC(=S)NCCSC(C)(C)C)cc1 ZINC000225350196 567953062 /nfs/dbraw/zinc/95/30/62/567953062.db2.gz ZRPJNHGAXVXAOK-UHFFFAOYSA-N 0 0 298.477 3.513 40 0 CHABRN CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)c(C)c1 ZINC000225403166 567953296 /nfs/dbraw/zinc/95/32/96/567953296.db2.gz YFBYUAMHZQYGNX-HNNXBMFYSA-N 0 0 275.392 3.761 40 0 CHABRN CCOC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 ZINC000225410074 567953500 /nfs/dbraw/zinc/95/35/00/567953500.db2.gz RJAASQKJLAMUGF-UHFFFAOYSA-N 0 0 288.391 3.748 40 0 CHABRN Cc1cc(C)cc(Nc2ccc(N)cc2C(=O)NC2CC2)c1 ZINC000225466012 567953584 /nfs/dbraw/zinc/95/35/84/567953584.db2.gz FOCYIJFCNDMGJX-UHFFFAOYSA-N 0 0 295.386 3.521 40 0 CHABRN Cc1ccc([C@H](C)NC(=S)Nc2ncccc2C)cc1 ZINC000225470710 567953772 /nfs/dbraw/zinc/95/37/72/567953772.db2.gz VKCLCXDJTWOFLE-ZDUSSCGKSA-N 0 0 285.416 3.746 40 0 CHABRN CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C ZINC000225603645 567953903 /nfs/dbraw/zinc/95/39/03/567953903.db2.gz IASDPIYMPUGCLB-CXAGYDPISA-N 0 0 293.407 3.926 40 0 CHABRN CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C ZINC000225603425 567953931 /nfs/dbraw/zinc/95/39/31/567953931.db2.gz BBKSLOCAPQMSRO-MRXNPFEDSA-N 0 0 279.380 3.537 40 0 CHABRN CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C ZINC000225603602 567953942 /nfs/dbraw/zinc/95/39/42/567953942.db2.gz RZAODPAMSXKZFP-KRWDZBQOSA-N 0 0 293.407 3.928 40 0 CHABRN 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567818111 /nfs/dbraw/zinc/81/81/11/567818111.db2.gz CJKGJIWNHCUYBY-UHFFFAOYSA-N 0 0 262.349 3.555 40 0 CHABRN COc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000000201768 567822252 /nfs/dbraw/zinc/82/22/52/567822252.db2.gz UTRVMFKOYIQRGJ-UGSOOPFHSA-N 0 0 287.403 3.736 40 0 CHABRN CC(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC000000252248 567823348 /nfs/dbraw/zinc/82/33/48/567823348.db2.gz CZXGMKQRPSDFMP-UHFFFAOYSA-N 0 0 268.341 3.981 40 0 CHABRN Cc1ccc2oc(C)c(C(=O)c3ccccc3)c(=O)c2c1 ZINC000000265218 567823382 /nfs/dbraw/zinc/82/33/82/567823382.db2.gz SAFBDXKIQUGGOD-UHFFFAOYSA-N 0 0 278.307 3.641 40 0 CHABRN Cc1ccn2cc(-c3ccc4c(c3)OCO4)cc2c1 ZINC000000368333 567827354 /nfs/dbraw/zinc/82/73/54/567827354.db2.gz AVGQSVNGFARSGT-UHFFFAOYSA-N 0 0 251.285 3.643 40 0 CHABRN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 ZINC000000568772 567833673 /nfs/dbraw/zinc/83/36/73/567833673.db2.gz VOHIYJJUKAUCCU-UHFFFAOYSA-N 0 0 289.806 3.895 40 0 CHABRN C[C@H](OC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 ZINC000000793077 567835092 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/nfs/dbraw/zinc/83/98/18/567839818.db2.gz GTOCZCPMZCJJJG-QGZVFWFLSA-N 0 0 259.393 3.914 40 0 CHABRN O=Cc1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCC3 ZINC000001646197 567840095 /nfs/dbraw/zinc/84/00/95/567840095.db2.gz HVSQZGPCUBWINN-OAQYLSRUSA-N 0 0 288.390 3.872 40 0 CHABRN CC(=O)CC(=O)O[C@@H](CC(C)C)C[C@@H](C)CC(C)C ZINC000001665823 567840828 /nfs/dbraw/zinc/84/08/28/567840828.db2.gz KVEZJNRZRRMMIV-ZFWWWQNUSA-N 0 0 270.413 3.996 40 0 CHABRN Cn1cc([C@@H]2Cc3ccccc3N2C)c2ccccc21 ZINC000001683962 567841291 /nfs/dbraw/zinc/84/12/91/567841291.db2.gz FHTYDKVQMHMJSU-SFHVURJKSA-N 0 0 262.356 3.912 40 0 CHABRN c1ccc(N2N=N[C@H]3CCC[C@]32N2CCCCC2)cc1 ZINC000001720275 567842442 /nfs/dbraw/zinc/84/24/42/567842442.db2.gz ZWPIBSWGWNALCM-JKSUJKDBSA-N 0 0 270.380 3.609 40 0 CHABRN CCCCCCOC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C ZINC000001718999 567842554 /nfs/dbraw/zinc/84/25/54/567842554.db2.gz OIAFJHAHYHANJZ-ZIAGYGMSSA-N 0 0 268.397 3.751 40 0 CHABRN CC(C)=C[C@@H]1[C@@H](C(=O)OCCOc2ccccc2)C1(C)C ZINC000001719056 567842558 /nfs/dbraw/zinc/84/25/58/567842558.db2.gz PLYKECUVQBIVEJ-CVEARBPZSA-N 0 0 288.387 3.847 40 0 CHABRN C[C@@H]1C(=O)OC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000001734790 567842651 /nfs/dbraw/zinc/84/26/51/567842651.db2.gz SORJRIYVSQTPMJ-BBRMVZONSA-N 0 0 266.340 3.628 40 0 CHABRN CCN(C(C)=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001724419 567842869 /nfs/dbraw/zinc/84/28/69/567842869.db2.gz UQMYSDCRADJZSZ-UHFFFAOYSA-N 0 0 251.329 3.631 40 0 CHABRN CC(C)=CCC/C(C)=C/CN1C(=O)CC(C)=C(C)C1=O ZINC000001724851 567842923 /nfs/dbraw/zinc/84/29/23/567842923.db2.gz OSYQTHNAVUUATA-UKTHLTGXSA-N 0 0 275.392 3.774 40 0 CHABRN CC(=O)Nc1ccc(OCc2ccccc2)c(C)c1C ZINC000001748818 567843164 /nfs/dbraw/zinc/84/31/64/567843164.db2.gz AZGGTQWWVKNHOB-UHFFFAOYSA-N 0 0 269.344 3.841 40 0 CHABRN CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000002576403 567848347 /nfs/dbraw/zinc/84/83/47/567848347.db2.gz YMGLMEIZDQKJBW-UHFFFAOYSA-N 0 0 282.295 3.564 40 0 in-vitro CHABRN CC(=O)c1c(C)nc2cc(-c3ccc(C)cc3)nn2c1C ZINC000408545308 567848904 /nfs/dbraw/zinc/84/89/04/567848904.db2.gz XPGQKBHAAUCAKR-UHFFFAOYSA-N 0 0 279.343 3.524 40 0 CHABRN Cc1oc2ccc(OCc3ccccc3)cc2c1CO ZINC000003155124 567851814 /nfs/dbraw/zinc/85/18/14/567851814.db2.gz GLAWYLOSNPBJOF-UHFFFAOYSA-N 0 0 268.312 3.813 40 0 CHABRN CCc1ccc(CNC(=S)c2cccc(OC)c2)cc1 ZINC000408576627 567852344 /nfs/dbraw/zinc/85/23/44/567852344.db2.gz QDQQBXLSQAHPJY-UHFFFAOYSA-N 0 0 285.412 3.723 40 0 CHABRN CCCc1sc(=N)n(CC)c1-c1ccc(C)cc1 ZINC000408574637 567852557 /nfs/dbraw/zinc/85/25/57/567852557.db2.gz AVEPLGDAJGJEKC-UHFFFAOYSA-N 0 0 260.406 3.977 40 0 CHABRN Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1F ZINC000003553989 567853029 /nfs/dbraw/zinc/85/30/29/567853029.db2.gz KXSCNMOTAYEIFZ-UHFFFAOYSA-N 0 0 277.726 3.969 40 0 CHABRN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000003814413 567853629 /nfs/dbraw/zinc/85/36/29/567853629.db2.gz BTTWKVFKBPAFDK-LOVVWNRFSA-N 0 0 290.447 3.671 40 0 endogenous,in-man CHABRN Cc1ccc(-c2nnc(SC(=O)c3ccco3)o2)cc1 ZINC000408599833 567854988 /nfs/dbraw/zinc/85/49/88/567854988.db2.gz LWXUMRLARNDMGE-UHFFFAOYSA-N 0 0 286.312 3.571 40 0 CHABRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC=C3[C@@H]1CC[C@@H]2O ZINC000004428374 567857528 /nfs/dbraw/zinc/85/75/28/567857528.db2.gz NLLMJANWPUQQTA-UBDQQSCGSA-N 0 0 270.372 3.529 40 0 in-vitro CHABRN CCC(=O)N1c2c(OC)cccc2C(C)=CC1(C)C ZINC000010157727 567861468 /nfs/dbraw/zinc/86/14/68/567861468.db2.gz QXLAKAYMJNKMGR-UHFFFAOYSA-N 0 0 259.349 3.634 40 0 CHABRN O=C(c1ccco1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012180964 567862091 /nfs/dbraw/zinc/86/20/91/567862091.db2.gz VICGGEFIUBNHBN-VHRNVKJDSA-N 0 0 299.345 3.970 40 0 CHABRN CCC(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 ZINC000012233026 567862640 /nfs/dbraw/zinc/86/26/40/567862640.db2.gz NIPTWSMDUFPCSY-UHFFFAOYSA-N 0 0 299.355 3.814 40 0 CHABRN C[C@@H]1CN(C(=S)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000013547723 567866251 /nfs/dbraw/zinc/86/62/51/567866251.db2.gz PXNPBQRQIGVEIB-BETUJISGSA-N 0 0 291.460 3.769 40 0 CHABRN CCOc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000013667556 567866671 /nfs/dbraw/zinc/86/66/71/567866671.db2.gz KLAHCSRDRMRIMD-DHZHZOJOSA-N 0 0 285.318 3.876 40 0 CHABRN CCCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000013708519 567867114 /nfs/dbraw/zinc/86/71/14/567867114.db2.gz NEERJUYZHOPLFX-ZDUSSCGKSA-N 0 0 271.360 3.523 40 0 CHABRN COc1ccc(CN(C)C(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000013681245 567867131 /nfs/dbraw/zinc/86/71/31/567867131.db2.gz GVTFOWPKUNEFBZ-UHFFFAOYSA-N 0 0 297.398 3.513 40 0 CHABRN Cc1ccc(CCCNC(=O)CSc2ccccc2)cc1 ZINC000013668971 567867243 /nfs/dbraw/zinc/86/72/43/567867243.db2.gz XDUHJAHJRNQGKL-UHFFFAOYSA-N 0 0 299.439 3.836 40 0 CHABRN COc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 ZINC000013710240 567867257 /nfs/dbraw/zinc/86/72/57/567867257.db2.gz ADOMUZJQBZTSNL-AWEZNQCLSA-N 0 0 299.370 3.718 40 0 CHABRN O=C(NC1CCCCCC1)c1cc(-c2ccccc2)on1 ZINC000016706246 567873624 /nfs/dbraw/zinc/87/36/24/567873624.db2.gz YPUAVSJNJFURBH-UHFFFAOYSA-N 0 0 284.359 3.794 40 0 CHABRN CCNC(=S)c1nc2ccccc2nc1-c1ccccc1 ZINC000016681755 567873771 /nfs/dbraw/zinc/87/37/71/567873771.db2.gz DOXBPVFMFQCCBQ-UHFFFAOYSA-N 0 0 293.395 3.582 40 0 CHABRN CSC(=S)C(=CNc1ncccn1)c1ccccc1 ZINC000016952202 567874327 /nfs/dbraw/zinc/87/43/27/567874327.db2.gz DPLMOXTVNFMHSK-BENRWUELSA-N 0 0 287.413 3.620 40 0 CHABRN COc1cc2ccccc2cc1C(=O)N1CCC(C)CC1 ZINC000017355517 567875758 /nfs/dbraw/zinc/87/57/58/567875758.db2.gz JQQMTICGWNAEHA-UHFFFAOYSA-N 0 0 283.371 3.721 40 0 CHABRN O=C(CCc1ccc(F)cc1)Nc1ccccc1F ZINC000018114701 567876396 /nfs/dbraw/zinc/87/63/96/567876396.db2.gz OWXOICUHCZZHQD-UHFFFAOYSA-N 0 0 261.271 3.536 40 0 CHABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1F ZINC000018114154 567876543 /nfs/dbraw/zinc/87/65/43/567876543.db2.gz OXIDQIPQEAVZJD-UHFFFAOYSA-N 0 0 273.307 3.703 40 0 CHABRN Cc1ccc(OCCNC(=O)Nc2ccccc2)c(C)c1 ZINC000018174793 567876992 /nfs/dbraw/zinc/87/69/92/567876992.db2.gz PYEFVYQNVBGSIK-UHFFFAOYSA-N 0 0 284.359 3.504 40 0 CHABRN COc1ccc([C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 ZINC000019931830 567880105 /nfs/dbraw/zinc/88/01/05/567880105.db2.gz SJMYZHCJTKFYAB-OAHLLOKOSA-N 0 0 297.398 3.732 40 0 CHABRN CSc1ccc([C@H](C)NC(=O)c2cccs2)cc1 ZINC000020025454 567880311 /nfs/dbraw/zinc/88/03/11/567880311.db2.gz NOUVAHKLFHOORE-JTQLQIEISA-N 0 0 277.414 3.961 40 0 CHABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccco2)cc1 ZINC000020111199 567880880 /nfs/dbraw/zinc/88/08/80/567880880.db2.gz PMDBCMVXWJKHHJ-HNNXBMFYSA-N 0 0 287.359 3.805 40 0 CHABRN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCC1 ZINC000030758163 567884635 /nfs/dbraw/zinc/88/46/35/567884635.db2.gz FPUXRUQGCWECNC-NSHDSACASA-N 0 0 281.783 3.508 40 0 CHABRN Cc1cccc(O[C@@H](C)C(=O)N2CCc3ccccc32)c1C ZINC000031673655 567885034 /nfs/dbraw/zinc/88/50/34/567885034.db2.gz UEMVKCUUWNBSNJ-HNNXBMFYSA-N 0 0 295.382 3.660 40 0 CHABRN CC(C)[C@H]1NC(=S)OC1(c1ccccc1)c1ccccc1 ZINC000031829571 567885127 /nfs/dbraw/zinc/88/51/27/567885127.db2.gz RPZKBIVAULGKTQ-MRXNPFEDSA-N 0 0 297.423 3.860 40 0 CHABRN Clc1ccc(OCN2CCCCC2)c(Cl)c1 ZINC000031666748 567885298 /nfs/dbraw/zinc/88/52/98/567885298.db2.gz UQGFZMIPKPCFNF-UHFFFAOYSA-N 0 0 260.164 3.816 40 0 CHABRN C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031961902 567885513 /nfs/dbraw/zinc/88/55/13/567885513.db2.gz WWYMRAQFSAKRMQ-MRXNPFEDSA-N 0 0 275.779 3.505 40 0 CHABRN O=C(c1ccc2c(c1)CCCC2)N1CCCCCC1 ZINC000070244471 567889307 /nfs/dbraw/zinc/88/93/07/567889307.db2.gz ONBZPMSUPRKMHP-UHFFFAOYSA-N 0 0 257.377 3.582 40 0 CHABRN CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccccc1 ZINC000036562623 567889475 /nfs/dbraw/zinc/88/94/75/567889475.db2.gz PRPBECPGTQIYKQ-KRWDZBQOSA-N 0 0 297.398 3.950 40 0 CHABRN Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000036878901 567889583 /nfs/dbraw/zinc/88/95/83/567889583.db2.gz VIQBBHKRRVSVDA-UHFFFAOYSA-N 0 0 290.407 3.806 40 0 CHABRN CCc1ccc([C@H](C)NC(=O)c2cccc(F)c2)cc1 ZINC000036623424 567889789 /nfs/dbraw/zinc/88/97/89/567889789.db2.gz FHIDFDVQAYMROT-LBPRGKRZSA-N 0 0 271.335 3.879 40 0 CHABRN C[C@H](O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000242701547 567890067 /nfs/dbraw/zinc/89/00/67/567890067.db2.gz WHOGNKUXQJMVBC-VHSSKADRSA-N 0 0 268.356 3.750 40 0 CHABRN NC(=S)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000073634030 567890182 /nfs/dbraw/zinc/89/01/82/567890182.db2.gz KEJDJPDJLBBVKL-UHFFFAOYSA-N 0 0 288.759 3.782 40 0 CHABRN COc1cc(CNc2ccccc2C)cc(Cl)c1O ZINC000076273902 567890428 /nfs/dbraw/zinc/89/04/28/567890428.db2.gz XUAILXXUZKJKNH-UHFFFAOYSA-N 0 0 277.751 3.975 40 0 CHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000040945966 567890843 /nfs/dbraw/zinc/89/08/43/567890843.db2.gz RKOGXMSNIYQWPK-AWEZNQCLSA-N 0 0 299.370 3.718 40 0 CHABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=O)c1ccccc1 ZINC000013550200 567892599 /nfs/dbraw/zinc/89/25/99/567892599.db2.gz WBMULNOFMGKWPA-BMFZPTHFSA-N 0 0 288.387 3.873 40 0 biogenic,in-vitro CHABRN CCOc1cccc(NC(=O)c2cc(C)ccc2C)c1 ZINC000048806097 567892685 /nfs/dbraw/zinc/89/26/85/567892685.db2.gz BYEVTTAUMIQKRC-UHFFFAOYSA-N 0 0 269.344 3.954 40 0 CHABRN CCCNC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049266634 567893023 /nfs/dbraw/zinc/89/30/23/567893023.db2.gz MWGBSHPSYAMXLR-LBPRGKRZSA-N 0 0 262.397 3.754 40 0 CHABRN CC(C)Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000049229616 567893170 /nfs/dbraw/zinc/89/31/70/567893170.db2.gz DMGLXTRACMZNFP-UHFFFAOYSA-N 0 0 287.334 3.794 40 0 CHABRN Cc1cc(-n2cnnc2)cc2nc(-c3ccccc3F)oc21 ZINC000073639443 567893369 /nfs/dbraw/zinc/89/33/69/567893369.db2.gz DFYLMJOABUPJKQ-UHFFFAOYSA-N 0 0 294.289 3.523 40 0 CHABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCCC2)c1 ZINC000049890977 567893943 /nfs/dbraw/zinc/89/39/43/567893943.db2.gz FJOGJOXYROURTD-CQSZACIVSA-N 0 0 275.392 3.508 40 0 CHABRN O=Cc1cc(-c2cccc(Cl)c2F)ccc1O ZINC000096312880 567894378 /nfs/dbraw/zinc/89/43/78/567894378.db2.gz XWTPNNCJOILKSI-UHFFFAOYSA-N 0 0 250.656 3.664 40 0 CHABRN CC(C)[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000057160063 567894402 /nfs/dbraw/zinc/89/44/02/567894402.db2.gz BLPNDBQKTSBXHZ-QMMMGPOBSA-N 0 0 260.164 3.768 40 0 CHABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 ZINC000059351596 567896144 /nfs/dbraw/zinc/89/61/44/567896144.db2.gz AGTDDKNOJBFIPJ-HZPDHXFCSA-N 0 0 297.398 3.948 40 0 CHABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C ZINC000059351200 567896326 /nfs/dbraw/zinc/89/63/26/567896326.db2.gz ZSLRECYCRLMILL-JKSUJKDBSA-N 0 0 297.398 3.948 40 0 CHABRN Cc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000059344300 567896410 /nfs/dbraw/zinc/89/64/10/567896410.db2.gz SNCOOPOVOCMDPJ-CQSZACIVSA-N 0 0 265.356 3.515 40 0 CHABRN Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000059351582 567896499 /nfs/dbraw/zinc/89/64/99/567896499.db2.gz SMGQEVVYEBTWED-INIZCTEOSA-N 0 0 297.398 3.868 40 0 CHABRN Cn1c(-c2ccccc2)csc1=Nc1ccccc1 ZINC000254379539 567897037 /nfs/dbraw/zinc/89/70/37/567897037.db2.gz CYXROHQDZYCSOJ-UHFFFAOYSA-N 0 0 266.369 3.986 40 0 CHABRN O=Cc1c[nH]c2c1cccc2COCc1ccccc1 ZINC000089203512 567897401 /nfs/dbraw/zinc/89/74/01/567897401.db2.gz MTOISQKFJKXWST-UHFFFAOYSA-N 0 0 265.312 3.697 40 0 CHABRN CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc2ccccc21 ZINC000096527848 567897856 /nfs/dbraw/zinc/89/78/56/567897856.db2.gz VHWOKDMIJJWSFO-INIZCTEOSA-N 0 0 285.387 3.507 40 0 CHABRN C[C@@H]1CC[C@@H]1COc1ccccc1Br ZINC000096526365 567898112 /nfs/dbraw/zinc/89/81/12/567898112.db2.gz LZCBTBCGABMWER-NXEZZACHSA-N 0 0 255.155 3.874 40 0 CHABRN Clc1ccc2c(c1)N[C@@H](c1ccc3c(c1)OCO3)CO2 ZINC000096531186 567898272 /nfs/dbraw/zinc/89/82/72/567898272.db2.gz HFYDEZIFYAZRIG-GFCCVEGCSA-N 0 0 289.718 3.614 40 0 CHABRN Cc1cc(Br)c(C)c(Br)c1 ZINC000065356397 567898379 /nfs/dbraw/zinc/89/83/79/567898379.db2.gz IWZNGNLJRXZVSV-UHFFFAOYSA-N 0 0 263.960 3.828 40 0 CHABRN C[C@H]1CCC[C@H]2[C@@H]1C2(Br)Br ZINC000071785507 567902244 /nfs/dbraw/zinc/90/22/44/567902244.db2.gz DDLGYTAQJREHKY-LYFYHCNISA-N 0 0 267.992 3.539 40 0 CHABRN COC(=O)c1c(/C=C/c2cc(C)n(C)c2C)cccc1OC ZINC000035973580 567902586 /nfs/dbraw/zinc/90/25/86/567902586.db2.gz ZOCOPBTUOLRPNP-MDZDMXLPSA-N 0 0 299.370 3.608 40 0 CHABRN O=C(/C=C/c1ccccc1)Oc1nc2ccccc2s1 ZINC000000064490 567903496 /nfs/dbraw/zinc/90/34/96/567903496.db2.gz 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/nfs/dbraw/zinc/30/09/03/570300903.db2.gz SAVMHRMGQRZDLM-UHFFFAOYSA-N 0 0 262.305 3.733 40 0 CHABRN Cc1nc2ccccn2c1-c1nnc(-c2ccccc2C)o1 ZINC000216601426 570305801 /nfs/dbraw/zinc/30/58/01/570305801.db2.gz ADSROTQIVRTZPI-UHFFFAOYSA-N 0 0 290.326 3.668 40 0 CHABRN CCCN1C(=O)S/C(=C\c2cc(C)n(CC)c2C)C1=O ZINC000409105145 570310474 /nfs/dbraw/zinc/31/04/74/570310474.db2.gz JIXWVGKPUSZAID-LCYFTJDESA-N 0 0 292.404 3.571 40 0 CHABRN Cc1cnc(NC(=S)NCc2ccccc2)c(Cl)c1 ZINC000223921817 570313732 /nfs/dbraw/zinc/31/37/32/570313732.db2.gz PVCHNEIZEQHNIG-UHFFFAOYSA-N 0 0 291.807 3.530 40 0 CHABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCC2CCCCC2)c1 ZINC000224611867 570314062 /nfs/dbraw/zinc/31/40/62/570314062.db2.gz UYIYZASKZGSHMM-OAHLLOKOSA-N 0 0 289.419 3.767 40 0 CHABRN C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000028210561 570314439 /nfs/dbraw/zinc/31/44/39/570314439.db2.gz ZSCSDSREPOYTKF-VIFPVBQESA-N 0 0 279.261 3.595 40 0 CHABRN O=C(NCCCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000224957242 570314938 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DJCYIMOOAQMRGV-UHFFFAOYSA-N 0 0 256.301 3.659 40 0 CHABRN CC(C)N(C(=O)c1c[nH]c2ccc(F)cc12)C(C)C ZINC000228928235 570372930 /nfs/dbraw/zinc/37/29/30/570372930.db2.gz YYWKFWIHNRBSGK-UHFFFAOYSA-N 0 0 262.328 3.566 40 0 CHABRN COc1cc(Cc2nc3cc(C)ccc3o2)cc(OC)c1 ZINC000228952220 570373220 /nfs/dbraw/zinc/37/32/20/570373220.db2.gz MSSGOFDGTAEKPE-UHFFFAOYSA-N 0 0 283.327 3.744 40 0 CHABRN O=c1[nH]c2cccc(Cl)c2c([O-])c1-c1ccccc1 ZINC000685936965 570388939 /nfs/dbraw/zinc/38/89/39/570388939.db2.gz FJHXZTZSUNJVKF-UHFFFAOYSA-N 0 0 271.703 3.966 40 0 CHABRN CCOC(=O)c1nc2ccccc2c(-c2ccccc2)c1N ZINC000257197949 570393714 /nfs/dbraw/zinc/39/37/14/570393714.db2.gz OJOXCHOGWPKQNA-UHFFFAOYSA-N 0 0 292.338 3.661 40 0 CHABRN Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1N ZINC000019390564 570407987 /nfs/dbraw/zinc/40/79/87/570407987.db2.gz AWPHYFAHCKBBCX-UHFFFAOYSA-N 0 0 274.751 3.791 40 0 CHABRN CCNc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000200261001 570409205 /nfs/dbraw/zinc/40/92/05/570409205.db2.gz YGOJUUJYRNURAE-UHFFFAOYSA-N 0 0 265.312 3.892 40 0 CHABRN CC(=O)Nc1c(C)cc(Br)cc1C(C)C ZINC000098181622 1121344237 /nfs/dbraw/zinc/34/42/37/1121344237.db2.gz QWBZRGMQDOXOKV-UHFFFAOYSA-N 0 0 270.170 3.839 40 0 CHABRN O=C(CCc1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000053676057 1125651765 /nfs/dbraw/zinc/65/17/65/1125651765.db2.gz UHFIILOJLNWFSZ-UHFFFAOYSA-N 0 0 285.774 3.862 40 0 CHABRN CCC[C@H](C)NC(=O)CCc1ccc(Cl)cc1 ZINC000054484779 1125653943 /nfs/dbraw/zinc/65/39/43/1125653943.db2.gz LEKTYGQYGZZQNJ-NSHDSACASA-N 0 0 253.773 3.577 40 0 CHABRN O=C1c2ccccc2C[C@@H]1c1ccc(Br)cc1 ZINC000936068978 1127109519 /nfs/dbraw/zinc/10/95/19/1127109519.db2.gz PUECTMZRCBCTDV-CQSZACIVSA-N 0 0 287.156 3.972 40 0 CHABRN CCCCN1C(=O)S[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000006647728 1117848828 /nfs/dbraw/zinc/84/88/28/1117848828.db2.gz BYYLTSWCWFXTJH-GFCCVEGCSA-N 0 0 297.807 3.747 40 0 CHABRN O[C@@H]1CCCC[C@H]1c1ccccc1OC(F)(F)F ZINC000055230081 1118476059 /nfs/dbraw/zinc/47/60/59/1118476059.db2.gz YQDZZDXWFCDICT-GXSJLCMTSA-N 0 0 260.255 3.604 40 0 CHABRN CCOC(=O)c1ncc(-c2ccc(Cl)cc2)s1 ZINC000199567568 1118694606 /nfs/dbraw/zinc/69/46/06/1118694606.db2.gz OOZOKFBMKPCYNT-UHFFFAOYSA-N 0 0 267.737 3.640 40 0 CHABRN CCCCCC(=O)Nc1c(C)cc(N)cc1Cl ZINC000226755772 1119319287 /nfs/dbraw/zinc/31/92/87/1119319287.db2.gz PFTSUPMCYGHPHG-UHFFFAOYSA-N 0 0 254.761 3.749 40 0 CHABRN Cc1ccccc1C(=O)Nc1c(C)cc(N)cc1Cl ZINC000226756515 1119320750 /nfs/dbraw/zinc/32/07/50/1119320750.db2.gz RLYKJVKWZGEGBK-UHFFFAOYSA-N 0 0 274.751 3.791 40 0 CHABRN CC[C@@H](C)OCc1c(Br)cnn1[C@H](C)CC ZINC000408715901 1120157182 /nfs/dbraw/zinc/15/71/82/1120157182.db2.gz GOKLZAPBZSXMNR-NXEZZACHSA-N 0 0 289.217 3.932 40 0 CHABRN CCn1cc(C(=O)COc2ccccc2)c2ccccc21 ZINC000014136209 1120246957 /nfs/dbraw/zinc/24/69/57/1120246957.db2.gz HTFQRLRNVCIXHE-UHFFFAOYSA-N 0 0 279.339 3.923 40 0 CHABRN C[C@H](Sc1ccccc1)C(=O)NCCSC(C)(C)C ZINC000066739598 1120410801 /nfs/dbraw/zinc/41/08/01/1120410801.db2.gz MBTVONAOLIYSDB-LBPRGKRZSA-N 0 0 297.489 3.815 40 0 CHABRN CCCn1c2ccc(Br)cc2nc1CC 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