smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC1(CO)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000160330250 539278693 /nfs/dbraw/zinc/27/86/93/539278693.db2.gz LOGSRDWZBARRPX-UHFFFAOYSA-N 0 0 264.712 2.076 20 70 CEIDRN CCOc1ccccc1/C=C\C(=O)NC[C@@H](C)CCO ZINC000218036763 539331784 /nfs/dbraw/zinc/33/17/84/539331784.db2.gz MQUBJXVHUXTZJJ-YXVBKTCISA-N 0 0 277.364 2.233 20 70 CEIDRN CCc1c(C(=O)NCCSC)cnn1CC(C)C ZINC000159460109 344455257 /nfs/dbraw/zinc/45/52/57/344455257.db2.gz JHYSYDYZXKPLAO-UHFFFAOYSA-N 0 0 269.414 2.194 20 70 CEIDRN O=C(CC1=CCCCC1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160628929 344459970 /nfs/dbraw/zinc/45/99/70/344459970.db2.gz RFVZJRUTGAXKGP-KBPBESRZSA-N 0 0 276.380 2.004 20 70 CEIDRN O=C(C1CCCCCC1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160625918 344460297 /nfs/dbraw/zinc/46/02/97/344460297.db2.gz NPYJKJUAFZSESI-ZIAGYGMSSA-N 0 0 278.396 2.084 20 70 CEIDRN C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160740667 344461059 /nfs/dbraw/zinc/46/10/59/344461059.db2.gz YNKLDDWSVCNKNP-VNHYZAJKSA-N 0 0 279.428 2.158 20 70 CEIDRN CCSc1nnc(SCc2nnc(C)n2C)s1 ZINC000160980899 344462401 /nfs/dbraw/zinc/46/24/01/344462401.db2.gz OHUORSHRSVLUHD-UHFFFAOYSA-N 0 0 287.439 2.379 20 70 CEIDRN CS(=O)(=O)CCCCSCc1noc(C2CC2)n1 ZINC000160960630 344462503 /nfs/dbraw/zinc/46/25/03/344462503.db2.gz CQUXRQFNMJRDFV-UHFFFAOYSA-N 0 0 290.410 2.005 20 70 CEIDRN C[C@@H](CNC(=O)c1cccc2c1CCCN2)[NH+]1CCCC1 ZINC000161217172 344463420 /nfs/dbraw/zinc/46/34/20/344463420.db2.gz QAPSBWBIECGCID-ZDUSSCGKSA-N 0 0 287.407 2.259 20 70 CEIDRN CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)nc1 ZINC000161280196 344463719 /nfs/dbraw/zinc/46/37/19/344463719.db2.gz AUGHMGXPZJAJBR-CQSZACIVSA-N 0 0 291.395 2.065 20 70 CEIDRN O=c1c2ccoc2ccn1C[C@H](O)COc1ccccc1 ZINC000161397981 344464032 /nfs/dbraw/zinc/46/40/32/344464032.db2.gz BUKQAJXPXSUZPD-LBPRGKRZSA-N 0 0 285.299 2.034 20 70 CEIDRN 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O=C(Nc1ccn(CC(F)(F)F)n1)N1CCCC1 ZINC000160766833 188490918 /nfs/dbraw/zinc/49/09/18/188490918.db2.gz BPFCWONBQBRQLI-UHFFFAOYSA-N 0 0 262.235 2.073 20 70 CEIDRN CC(C)c1cc(=O)n(Cc2nc(C3CCCC3)no2)cn1 ZINC000160888920 188496129 /nfs/dbraw/zinc/49/61/29/188496129.db2.gz IIYARMIVXWXVQN-UHFFFAOYSA-N 0 0 288.351 2.456 20 70 CEIDRN CO[C@](C)(C(=O)N[C@H](CO)CC(C)C)c1ccccc1 ZINC000160905152 188497733 /nfs/dbraw/zinc/49/77/33/188497733.db2.gz UAGKSFLYDDVYQG-HOCLYGCPSA-N 0 0 279.380 2.071 20 70 CEIDRN COC[C@@H](NC(=O)NC[C@H](C)c1c(C)noc1C)C1CC1 ZINC000160939874 188499274 /nfs/dbraw/zinc/49/92/74/188499274.db2.gz SGAKXAQPCMUDKB-TVQRCGJNSA-N 0 0 295.383 2.119 20 70 CEIDRN CCc1ncc(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1 ZINC000161202446 188514958 /nfs/dbraw/zinc/51/49/58/188514958.db2.gz ZZJSGFQWPRIDMT-SWLSCSKDSA-N 0 0 292.383 2.102 20 70 CEIDRN CC1(C)C[C@H](NC(=O)NCCOc2ccccc2)CCO1 ZINC000161039606 188504485 /nfs/dbraw/zinc/50/44/85/188504485.db2.gz MTAZQNKFZWURLV-CYBMUJFWSA-N 0 0 292.379 2.322 20 70 CEIDRN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)OC)o1 ZINC000161297339 188521100 /nfs/dbraw/zinc/52/11/00/188521100.db2.gz JQTPEOBHEDBNCS-PWSUYJOCSA-N 0 0 267.325 2.124 20 70 CEIDRN Cc1nccc(NC(=O)N2CCOC[C@@H]2C)c1Cl ZINC000159796306 540103599 /nfs/dbraw/zinc/10/35/99/540103599.db2.gz YBENTWUEXFPRPR-QMMMGPOBSA-N 0 0 269.732 2.296 20 70 CEIDRN Cc1ccc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1N ZINC000160842790 540125110 /nfs/dbraw/zinc/12/51/10/540125110.db2.gz IIAYLAULUSWVSA-GDBMZVCRSA-N 0 0 276.380 2.248 20 70 CEIDRN Cc1c(NCC(C)(C)C)cccc1C(=O)NCCO ZINC000159437946 540407236 /nfs/dbraw/zinc/40/72/36/540407236.db2.gz RRFVNWWXJUYGAW-UHFFFAOYSA-N 0 0 264.369 2.175 20 70 CEIDRN CC1(C)CCC[C@H](CC(=O)NCCNC(=O)C2CC2)C1 ZINC000159473358 540410135 /nfs/dbraw/zinc/41/01/35/540410135.db2.gz ICSRFIKGYYICCG-GFCCVEGCSA-N 0 0 280.412 2.235 20 70 CEIDRN COC[C@H]1CCCN1C(=O)c1ccc(N(C)C)cc1F ZINC000160890268 540677454 /nfs/dbraw/zinc/67/74/54/540677454.db2.gz CUMMDMHDEZQYRB-GFCCVEGCSA-N 0 0 280.343 2.143 20 70 CEIDRN CCNC(=O)C(C)(C)CNc1ccnc(C(C)C)n1 ZINC000161324427 540773912 /nfs/dbraw/zinc/77/39/12/540773912.db2.gz FIDQFMPGUOZKBV-UHFFFAOYSA-N 0 0 264.373 2.174 20 70 CEIDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C)ncn1 ZINC000161405658 540816325 /nfs/dbraw/zinc/81/63/25/540816325.db2.gz KFPWWMCANAWLGF-UHFFFAOYSA-N 0 0 299.330 2.176 20 70 CEIDRN COC(=O)[C@H](NCCC1CC1)c1cc(OC)cc(OC)c1 ZINC000159704620 366940000 /nfs/dbraw/zinc/94/00/00/366940000.db2.gz HUOPUAUBZGQZHO-OAHLLOKOSA-N 0 0 293.363 2.308 20 70 CEIDRN CC(C)n1nccc1C(=O)N[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000159780051 366947333 /nfs/dbraw/zinc/94/73/33/366947333.db2.gz LWRNUCRUZFEMII-DYEKYZERSA-N 0 0 277.368 2.151 20 70 CEIDRN CNC(=O)CCCN(C)C(=O)Nc1cccc(C)c1C ZINC000159733549 366943010 /nfs/dbraw/zinc/94/30/10/366943010.db2.gz ZNDZOZIYEWBGQO-UHFFFAOYSA-N 0 0 277.368 2.293 20 70 CEIDRN CCCCCCNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000159722809 366943109 /nfs/dbraw/zinc/94/31/09/366943109.db2.gz YIRIXTKOPXYJOR-UHFFFAOYSA-N 0 0 263.341 2.025 20 70 CEIDRN CN(CCC1CC1)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000159384455 366907607 /nfs/dbraw/zinc/90/76/07/366907607.db2.gz OUHVHXTXRZARPG-UHFFFAOYSA-N 0 0 270.336 2.344 20 70 CEIDRN CCc1noc(C)c1CNc1cccc(-c2nnnn2C)c1 ZINC000159378565 366907710 /nfs/dbraw/zinc/90/77/10/366907710.db2.gz OPTNHKXGTXFTEP-UHFFFAOYSA-N 0 0 298.350 2.348 20 70 CEIDRN O=C(N[C@@H]1CCOC1)N[C@H]1CCCc2ccccc21 ZINC000159389790 366908744 /nfs/dbraw/zinc/90/87/44/366908744.db2.gz JBYMPBMNFSCFHW-OCCSQVGLSA-N 0 0 260.337 2.152 20 70 CEIDRN CN(CCc1ccccn1)C(=O)c1cccc2nc[nH]c21 ZINC000159389833 366909123 /nfs/dbraw/zinc/90/91/23/366909123.db2.gz SOCXDZUJBOCIQR-UHFFFAOYSA-N 0 0 280.331 2.273 20 70 CEIDRN COc1cc(NC(=O)N[C@]2(C)CCOC2)cc(OC)c1 ZINC000159396135 366909436 /nfs/dbraw/zinc/90/94/36/366909436.db2.gz OUNYOTZVNBLHTE-CQSZACIVSA-N 0 0 280.324 2.004 20 70 CEIDRN Cc1cc(C(=O)N(C)CCOCc2ccccc2)on1 ZINC000159434109 366913140 /nfs/dbraw/zinc/91/31/40/366913140.db2.gz BIODRRYCINWJQV-UHFFFAOYSA-N 0 0 274.320 2.272 20 70 CEIDRN 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CCSc1cccc(C(=O)NCC[C@@H](C)O)c1 ZINC000159551148 366925999 /nfs/dbraw/zinc/92/59/99/366925999.db2.gz XWPZGFGPZLKVAG-SNVBAGLBSA-N 0 0 253.367 2.299 20 70 CEIDRN CC[C@H](C)OCC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000159576140 366928563 /nfs/dbraw/zinc/92/85/63/366928563.db2.gz LBPRQZPEKFRXMX-NSHDSACASA-N 0 0 278.352 2.423 20 70 CEIDRN CC[N@@H+]1CCCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000159590191 366929484 /nfs/dbraw/zinc/92/94/84/366929484.db2.gz XTKMAZBILUADHD-UHFFFAOYSA-N 0 0 279.359 2.063 20 70 CEIDRN Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)on1 ZINC000159591984 366929746 /nfs/dbraw/zinc/92/97/46/366929746.db2.gz KFFJUKLUGRMKJT-RYUDHWBXSA-N 0 0 263.341 2.186 20 70 CEIDRN O=C(NCC(F)F)N1CCc2cccc(F)c2C1 ZINC000159608896 366931093 /nfs/dbraw/zinc/93/10/93/366931093.db2.gz ANHGSJVYXASLPL-UHFFFAOYSA-N 0 0 258.243 2.159 20 70 CEIDRN O=C(NCCc1cn2ccccc2n1)N1CCC2(CCC2)C1 ZINC000159760145 366946860 /nfs/dbraw/zinc/94/68/60/366946860.db2.gz QPXOUDIASHEAPD-UHFFFAOYSA-N 0 0 298.390 2.462 20 70 CEIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCc1nc([C@@H](C)OC)no1 ZINC000159618121 366932873 /nfs/dbraw/zinc/93/28/73/366932873.db2.gz AHRSZWVVBAQHRV-IJLUTSLNSA-N 0 0 295.383 2.405 20 70 CEIDRN CC[C@H](CSC)N(C)C(=O)c1ncccc1O ZINC000159668282 366937823 /nfs/dbraw/zinc/93/78/23/366937823.db2.gz KJJQKTJOPBVCOJ-SECBINFHSA-N 0 0 254.355 2.001 20 70 CEIDRN c1ccc2nc(N3CCOC[C@H]3C3CC3)cnc2c1 ZINC000159666925 366937972 /nfs/dbraw/zinc/93/79/72/366937972.db2.gz KICIFPJSUNEYJW-AWEZNQCLSA-N 0 0 255.321 2.245 20 70 CEIDRN Cc1cc(OCC(=O)N2CCC[C@H]3CCCC[C@H]32)nn1C ZINC000159781634 366947779 /nfs/dbraw/zinc/94/77/79/366947779.db2.gz KEIZOTMHNGYZHT-ZIAGYGMSSA-N 0 0 291.395 2.289 20 70 CEIDRN C[C@H](OC1CCCCCC1)C(=O)Nc1ccn(C)n1 ZINC000159908903 366957934 /nfs/dbraw/zinc/95/79/34/366957934.db2.gz YPVUWGGVAHYHSP-NSHDSACASA-N 0 0 265.357 2.487 20 70 CEIDRN C[C@H](Cc1ccccc1F)C(=O)NCc1ncc[nH]1 ZINC000159863638 366954920 /nfs/dbraw/zinc/95/49/20/366954920.db2.gz FXJMJULCWHVSPN-SNVBAGLBSA-N 0 0 261.300 2.044 20 70 CEIDRN 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Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C)CCO)s1 ZINC000161085823 525850733 /nfs/dbraw/zinc/85/07/33/525850733.db2.gz IXIHHBOCYHFLIN-WCQGTBRESA-N 0 0 267.394 2.295 20 70 CEIDRN CC(C)(C)c1nnc(NC(=O)N2CCC[C@](C)(O)C2)s1 ZINC000159763868 526893904 /nfs/dbraw/zinc/89/39/04/526893904.db2.gz WLEZDKVIMZISDW-ZDUSSCGKSA-N 0 0 298.412 2.214 20 70 CEIDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCOC1 ZINC000161003350 527056493 /nfs/dbraw/zinc/05/64/93/527056493.db2.gz GVQGUYMOVZKMMO-STQMWFEESA-N 0 0 267.369 2.021 20 70 CEIDRN OCCCSCc1cncc(Br)c1 ZINC000160778019 527543380 /nfs/dbraw/zinc/54/33/80/527543380.db2.gz RNJVIDDZEOZVDO-UHFFFAOYSA-N 0 0 262.172 2.460 20 70 CEIDRN CCC[C@H](CCO)CNC(=O)[C@@H](C)Sc1ccccn1 ZINC000161347684 528121331 /nfs/dbraw/zinc/12/13/31/528121331.db2.gz OVQSFQMCUUHRAV-CHWSQXEVSA-N 0 0 296.436 2.477 20 70 CEIDRN CC(C)S(=O)(=O)CCCN(C)CCc1ccccc1 ZINC000160889155 528295692 /nfs/dbraw/zinc/29/56/92/528295692.db2.gz YXUCXSPRVYMAJC-UHFFFAOYSA-N 0 0 283.437 2.374 20 70 CEIDRN CCC(=O)c1cccc(NC(=O)c2ccc(C(N)=O)nc2)c1 ZINC000160782922 528478221 /nfs/dbraw/zinc/47/82/21/528478221.db2.gz ITOCBAUOERUHKJ-UHFFFAOYSA-N 0 0 297.314 2.026 20 70 CEIDRN CCC(CC)n1nccc1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000160852034 528912061 /nfs/dbraw/zinc/91/20/61/528912061.db2.gz GZPDSURDVVTSFL-RYUDHWBXSA-N 0 0 279.384 2.494 20 70 CEIDRN CCc1cc(=O)[nH]c(CN2CCc3sccc3C2)n1 ZINC000160634475 529565806 /nfs/dbraw/zinc/56/58/06/529565806.db2.gz WIGKTDOXZNULBX-UHFFFAOYSA-N 0 0 275.377 2.364 20 70 CEIDRN CN(Cc1cccn1C)C(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000160477661 539278736 /nfs/dbraw/zinc/27/87/36/539278736.db2.gz IGQNQWVFBDVBMT-CQSZACIVSA-N 0 0 297.358 2.110 20 70 CEIDRN CSCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000218054201 539332538 /nfs/dbraw/zinc/33/25/38/539332538.db2.gz JACVLFJLRFXRRY-ZIAGYGMSSA-N 0 0 279.405 2.440 20 70 CEIDRN CC(C)Cc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1 ZINC000159784507 344455822 /nfs/dbraw/zinc/45/58/22/344455822.db2.gz FQNADBGCOYCLIL-UHFFFAOYSA-N 0 0 290.407 2.469 20 70 CEIDRN CCOC(=O)C[C@H](C)NC(=O)c1c(C)oc(C)c1C ZINC000160067095 344457065 /nfs/dbraw/zinc/45/70/65/344457065.db2.gz UZKFSRMEIZGSMD-QMMMGPOBSA-N 0 0 267.325 2.276 20 70 CEIDRN NC(=O)C1CCC(Nc2nnc(C(F)(F)F)s2)CC1 ZINC000160323451 344458321 /nfs/dbraw/zinc/45/83/21/344458321.db2.gz SDOJGEWQGKIZFZ-UHFFFAOYSA-N 0 0 294.302 2.013 20 70 CEIDRN CC[C@@H](COC)NS(=O)(=O)c1ccc(SC)cc1 ZINC000160314255 344458361 /nfs/dbraw/zinc/45/83/61/344458361.db2.gz AOPJPTOFJHGFDU-JTQLQIEISA-N 0 0 289.422 2.112 20 70 CEIDRN O=C(CC1CCCCC1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160587374 344459539 /nfs/dbraw/zinc/45/95/39/344459539.db2.gz JCOCBZSYLBQXME-ZIAGYGMSSA-N 0 0 278.396 2.084 20 70 CEIDRN CCC1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCCC1 ZINC000160619014 344460060 /nfs/dbraw/zinc/46/00/60/344460060.db2.gz VXUOKJWVYHPLSN-OLZOCXBDSA-N 0 0 278.396 2.084 20 70 CEIDRN CCO[C@@H](CC)C(=O)Nc1ccc(OC)c(N)c1 ZINC000161330730 344463398 /nfs/dbraw/zinc/46/33/98/344463398.db2.gz MCUWRVHSUFHLBO-NSHDSACASA-N 0 0 252.314 2.031 20 70 CEIDRN CCOC(=O)CCN(C(=O)C[C@H](C)SC)C1CC1 ZINC000161192173 344463886 /nfs/dbraw/zinc/46/38/86/344463886.db2.gz IZSVFBCCDATUDO-JTQLQIEISA-N 0 0 273.398 2.072 20 70 CEIDRN C[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)CCO ZINC000161494206 232254184 /nfs/dbraw/zinc/25/41/84/232254184.db2.gz PKOTXQRTERFCFE-JTQLQIEISA-N 0 0 285.771 2.385 20 70 CEIDRN Cc1nc(NC(=O)[C@H](C)Oc2cccnc2)cc(C2CC2)n1 ZINC000159949074 232248870 /nfs/dbraw/zinc/24/88/70/232248870.db2.gz LBIDKSVFCPAXMA-JTQLQIEISA-N 0 0 298.346 2.463 20 70 CEIDRN Cc1nc(NC(=O)[C@@H](C)Oc2cccnc2)cc(C2CC2)n1 ZINC000159948915 232249276 /nfs/dbraw/zinc/24/92/76/232249276.db2.gz LBIDKSVFCPAXMA-SNVBAGLBSA-N 0 0 298.346 2.463 20 70 CEIDRN CCc1ccc(/C=C/C(=O)NCCCc2cnn(C)c2)o1 ZINC000159659843 188435498 /nfs/dbraw/zinc/43/54/98/188435498.db2.gz PVBQHEHWVSOMBS-CMDGGOBGSA-N 0 0 287.363 2.338 20 70 CEIDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)NOCc1ccccc1 ZINC000159702939 188436964 /nfs/dbraw/zinc/43/69/64/188436964.db2.gz RIVCGWPYQKJLOA-BXUZGUMPSA-N 0 0 261.321 2.240 20 70 CEIDRN COc1ccccc1C[C@@H](C)CC(=O)NC[C@@H](O)C(C)C ZINC000159713990 188438128 /nfs/dbraw/zinc/43/81/28/188438128.db2.gz VINRTLUBVIQGSR-UKRRQHHQSA-N 0 0 293.407 2.397 20 70 CEIDRN COCC(C)(C)C(=O)NCc1nc(C2CC2)cs1 ZINC000159769480 188441202 /nfs/dbraw/zinc/44/12/02/188441202.db2.gz OQKPEMSILYSQLB-UHFFFAOYSA-N 0 0 268.382 2.309 20 70 CEIDRN CN(C)C(=O)c1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000159806481 188441964 /nfs/dbraw/zinc/44/19/64/188441964.db2.gz FSBFXNGQUWPJFV-UHFFFAOYSA-N 0 0 286.375 2.308 20 70 CEIDRN COc1ccc(C[C@H](C)C(=O)NC[C@@H]2CCOC2)cc1 ZINC000159881949 188446066 /nfs/dbraw/zinc/44/60/66/188446066.db2.gz SOEXWBIVDHPKID-JSGCOSHPSA-N 0 0 277.364 2.027 20 70 CEIDRN O=C(c1ncn(-c2ccccc2)n1)N1CCC2(CCC2)C1 ZINC000159924022 188447459 /nfs/dbraw/zinc/44/74/59/188447459.db2.gz IEUQKKHGEYHZNF-UHFFFAOYSA-N 0 0 282.347 2.284 20 70 CEIDRN COCCOCCN(Cc1ccccc1)C(=O)C(C)C ZINC000160207549 188460163 /nfs/dbraw/zinc/46/01/63/188460163.db2.gz FYYQRNXXWRTRDI-UHFFFAOYSA-N 0 0 279.380 2.334 20 70 CEIDRN C[C@@H](C1CC1)N(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160248150 188462061 /nfs/dbraw/zinc/46/20/61/188462061.db2.gz QFDWFDZHHSWHFV-QMMMGPOBSA-N 0 0 287.406 2.022 20 70 CEIDRN C[C@@H](CCO)NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000160332572 188466135 /nfs/dbraw/zinc/46/61/35/188466135.db2.gz YKOZZOIRKLLQON-NSHDSACASA-N 0 0 282.359 2.173 20 70 CEIDRN Cc1ccc(O)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000160452063 188473562 /nfs/dbraw/zinc/47/35/62/188473562.db2.gz GYUDCRTUEFNYKA-SUMWQHHRSA-N 0 0 289.375 2.468 20 70 CEIDRN CC[C@@H](C)OCC(=O)NCCc1cc(OC)ccc1OC ZINC000160675328 188486350 /nfs/dbraw/zinc/48/63/50/188486350.db2.gz XKZPTUCHRZWSRD-GFCCVEGCSA-N 0 0 295.379 2.178 20 70 CEIDRN CC(C)c1cc(=O)n(Cc2cccc(Cl)n2)cn1 ZINC000160775856 188490116 /nfs/dbraw/zinc/49/01/16/188490116.db2.gz VUDZGWKVVOVCNP-UHFFFAOYSA-N 0 0 263.728 2.463 20 70 CEIDRN CC(C)Cc1nc(C(=O)N[C@@H](CO)CC(C)C)cs1 ZINC000160771659 188490294 /nfs/dbraw/zinc/49/02/94/188490294.db2.gz BNNPVDUFBOSEFI-LLVKDONJSA-N 0 0 284.425 2.478 20 70 CEIDRN CCC(C)(C)NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160774897 188490695 /nfs/dbraw/zinc/49/06/95/188490695.db2.gz WIESACSAZGUIHJ-UHFFFAOYSA-N 0 0 292.305 2.427 20 70 CEIDRN Cn1nccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160796029 188491255 /nfs/dbraw/zinc/49/12/55/188491255.db2.gz BGTMBMUKUDZDGI-GFCCVEGCSA-N 0 0 277.368 2.032 20 70 CEIDRN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(C)(O)CC1 ZINC000161264950 188518388 /nfs/dbraw/zinc/51/83/88/188518388.db2.gz LVANVWFINZVTEU-UHFFFAOYSA-N 0 0 295.354 2.357 20 70 CEIDRN CCCc1sc(C(=O)NCC[C@@H](O)COC)cc1CC ZINC000161267656 188518995 /nfs/dbraw/zinc/51/89/95/188518995.db2.gz QVVFKRWRBGGMQP-GFCCVEGCSA-N 0 0 299.436 2.390 20 70 CEIDRN CCc1ccc(/C=C/C(=O)N[C@@H](COC)C2CC2)o1 ZINC000161329119 188522051 /nfs/dbraw/zinc/52/20/51/188522051.db2.gz IXFUSMISAVUUKP-VFNNOXKTSA-N 0 0 263.337 2.396 20 70 CEIDRN O=C(N[C@H]1CCCc2sccc21)c1cc[nH]c(=O)c1 ZINC000159916090 295875630 /nfs/dbraw/zinc/87/56/30/295875630.db2.gz OPPYPRDUDOAPET-NSHDSACASA-N 0 0 274.345 2.244 20 70 CEIDRN CCCc1nc(Cn2c(C)nc3c2CCCC3)no1 ZINC000160729116 540121042 /nfs/dbraw/zinc/12/10/42/540121042.db2.gz QEOLVEMCJSHVBE-UHFFFAOYSA-N 0 0 260.341 2.454 20 70 CEIDRN CC(C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000161395832 540137773 /nfs/dbraw/zinc/13/77/73/540137773.db2.gz YXQOYPBUDBJYFY-UPJWGTAASA-N 0 0 292.383 2.371 20 70 CEIDRN CN1CCO[C@@H](CN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000217761175 540168741 /nfs/dbraw/zinc/16/87/41/540168741.db2.gz CBDKKOLRCLXKLE-DOTOQJQBSA-N 0 0 286.375 2.289 20 70 CEIDRN Cc1ccc(C)c(CC(=O)Nc2c[nH]c(=O)c(C)c2)c1 ZINC000159461633 540409368 /nfs/dbraw/zinc/40/93/68/540409368.db2.gz UEOOGCPJTJGHOE-UHFFFAOYSA-N 0 0 270.332 2.481 20 70 CEIDRN Cc1cc(NC(=O)c2ccc(F)cc2F)c[nH]c1=O ZINC000159495720 540412207 /nfs/dbraw/zinc/41/22/07/540412207.db2.gz KZQCAJHYTWWCKR-UHFFFAOYSA-N 0 0 264.231 2.214 20 70 CEIDRN Cc1nccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)n1 ZINC000159545348 540414595 /nfs/dbraw/zinc/41/45/95/540414595.db2.gz VDBHWYBTZSHISQ-WFASDCNBSA-N 0 0 299.374 2.070 20 70 CEIDRN COc1cc(OC)nc(NC[C@H]2Cc3ccccc32)n1 ZINC000159771882 540430993 /nfs/dbraw/zinc/43/09/93/540430993.db2.gz MZBMFSNUAKGFBJ-LLVKDONJSA-N 0 0 271.320 2.246 20 70 CEIDRN CNC(=O)c1cccc(NC(=O)N[C@H](C)C2CCC2)c1 ZINC000159873070 540435519 /nfs/dbraw/zinc/43/55/19/540435519.db2.gz RNGJWVANTLQXFT-SNVBAGLBSA-N 0 0 275.352 2.356 20 70 CEIDRN CCC(CC)CC(=O)N1CCC(OCCCO)CC1 ZINC000160073194 540444726 /nfs/dbraw/zinc/44/47/26/540444726.db2.gz PALZPOPBHIRAHD-UHFFFAOYSA-N 0 0 271.401 2.203 20 70 CEIDRN O=C(NCCC1=CCCC1)c1cccc(-n2cncn2)c1 ZINC000160294294 540595752 /nfs/dbraw/zinc/59/57/52/540595752.db2.gz CKIACQSTRNNZNC-UHFFFAOYSA-N 0 0 282.347 2.498 20 70 CEIDRN CCCC1(CNC(=O)c2c(C)nn3cccnc23)CC1 ZINC000160643409 540630554 /nfs/dbraw/zinc/63/05/54/540630554.db2.gz HRHOINZQDZVYCA-UHFFFAOYSA-N 0 0 272.352 2.348 20 70 CEIDRN Cc1cc(-c2nnc(CN(C)C(C)(C)CO)o2)c(C)o1 ZINC000160691994 540633828 /nfs/dbraw/zinc/63/38/28/540633828.db2.gz QRGGOIJUJCTGGT-UHFFFAOYSA-N 0 0 279.340 2.149 20 70 CEIDRN C[C@H](CC(=O)N[C@@H](C)c1cnn(C)c1)c1ccncc1 ZINC000160785182 540664724 /nfs/dbraw/zinc/66/47/24/540664724.db2.gz HXRPCJPNIKNOBQ-NEPJUHHUSA-N 0 0 272.352 2.186 20 70 CEIDRN CCc1c(C(=O)NC2CC=CC2)cnn1-c1ccccn1 ZINC000161065685 540715639 /nfs/dbraw/zinc/71/56/39/540715639.db2.gz VHKAXGCTSRKBQW-UHFFFAOYSA-N 0 0 282.347 2.278 20 70 CEIDRN Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1 ZINC000161509847 540850228 /nfs/dbraw/zinc/85/02/28/540850228.db2.gz WSRYXBBABHHCEN-UHFFFAOYSA-N 0 0 293.330 2.282 20 70 CEIDRN C[C@@H](CCO)NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159715755 366941583 /nfs/dbraw/zinc/94/15/83/366941583.db2.gz JOIWEXDEAMROJO-NWANDNLSSA-N 0 0 276.380 2.393 20 70 CEIDRN CS[C@@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159718807 366941644 /nfs/dbraw/zinc/94/16/44/366941644.db2.gz UORBEYAASYNVDG-QWRGUYRKSA-N 0 0 257.399 2.346 20 70 CEIDRN CCNC(=O)CCCC(=O)Oc1ccc(CC)cc1OC ZINC000159721660 366943554 /nfs/dbraw/zinc/94/35/54/366943554.db2.gz CDAINWVFRRTQQR-UHFFFAOYSA-N 0 0 293.363 2.469 20 70 CEIDRN 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