smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(C)C ZINC000161297623 367075373 /nfs/dbraw/zinc/07/53/73/367075373.db2.gz AMTZAUJTTRGLBF-INIZCTEOSA-N 0 3 291.439 2.359 10 70 CEIEHN CCC[C@H](C(=O)NCCc1cc(C)ccc1OC)N(C)C ZINC000161288610 367076152 /nfs/dbraw/zinc/07/61/52/367076152.db2.gz DKGYILCULHTACS-OAHLLOKOSA-N 0 3 292.423 2.393 10 70 CEIEHN CCC[C@@H](C(=O)N1CCc2ccc(F)cc2C1)N(C)C ZINC000161478093 367089065 /nfs/dbraw/zinc/08/90/65/367089065.db2.gz GFZILDCLZWLHPX-HNNXBMFYSA-N 0 3 278.371 2.441 10 70 CEIEHN CCn1cnnc1[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000161329599 523604714 /nfs/dbraw/zinc/60/47/14/523604714.db2.gz FWRTVKGLTGLPDS-KBPBESRZSA-N 0 3 278.400 2.047 10 70 CEIEHN CCC[C@H](C(=O)N(C)CCOc1ccc(F)cc1)N(C)C ZINC000161331946 367078454 /nfs/dbraw/zinc/07/84/54/367078454.db2.gz XCKKDXPSEQABGS-OAHLLOKOSA-N 0 3 296.386 2.393 10 70 CEIEHN Cc1cccc2c(N3CCS(=O)(=O)[C@@H](C)C3)ccnc12 ZINC000160725929 367030269 /nfs/dbraw/zinc/03/02/69/367030269.db2.gz YHXVSJCVQUMYCG-LBPRGKRZSA-N 0 3 290.388 2.167 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccc(C)c(F)c1)N(C)C ZINC000161345562 297443871 /nfs/dbraw/zinc/44/38/71/297443871.db2.gz CDIWLGOMZWOLSO-AWEZNQCLSA-N 0 3 266.360 2.481 10 70 CEIEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1CCOCC1 ZINC000159735964 366945198 /nfs/dbraw/zinc/94/51/98/366945198.db2.gz AIAWKLBHOLYNEI-OAHLLOKOSA-N 0 3 299.459 2.031 10 70 CEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000161262934 367073516 /nfs/dbraw/zinc/07/35/16/367073516.db2.gz GMILJRIAETZUMQ-CQSZACIVSA-N 0 3 271.368 2.073 10 70 CEIEHN CCn1cnnc1[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000161313679 523604812 /nfs/dbraw/zinc/60/48/12/523604812.db2.gz GNBCEZIDULSRAL-ZDUSSCGKSA-N 0 3 289.383 2.282 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccc(OC)c(OC)c1)N(C)C ZINC000161185696 367065471 /nfs/dbraw/zinc/06/54/71/367065471.db2.gz ZZTNRFANWDIGSA-CYBMUJFWSA-N 0 3 294.395 2.050 10 70 CEIEHN CCC[C@H](C(=O)NCc1cccc(F)c1)N(C)C ZINC000161476667 367089519 /nfs/dbraw/zinc/08/95/19/367089519.db2.gz NNIZHMSUCOSJMJ-CYBMUJFWSA-N 0 3 252.333 2.172 10 70 CEIEHN CC(C)N1C[C@H](NC(=O)c2cc3ccccn3c2)[C@@H](C)C1 ZINC000161316864 367076858 /nfs/dbraw/zinc/07/68/58/367076858.db2.gz RLGYMIJNHVDNRM-BBRMVZONSA-N 0 3 285.391 2.398 10 70 CEIEHN CCC[C@H](C(=O)NCCc1cccc(OCC)c1)N(C)C ZINC000161471304 367089008 /nfs/dbraw/zinc/08/90/08/367089008.db2.gz DXTYPPDLDYZTAT-MRXNPFEDSA-N 0 3 292.423 2.474 10 70 CEIEHN COc1cc(NC(=O)[C@]2(C)CCCCN2)ccc1F ZINC000160312913 366993395 /nfs/dbraw/zinc/99/33/95/366993395.db2.gz DSXLYTVAUXGLIC-AWEZNQCLSA-N 0 3 266.316 2.305 10 70 CEIEHN CCc1ncnc(N2C[C@@H]3CCCN3C[C@@H]2CC)c1F ZINC000160365772 366999324 /nfs/dbraw/zinc/99/93/24/366999324.db2.gz JGSDUNHDRPVVHA-RYUDHWBXSA-N 0 3 278.375 2.241 10 70 CEIEHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)C(C)(C)C ZINC000160863544 367040195 /nfs/dbraw/zinc/04/01/95/367040195.db2.gz AKPHQZFCBOXODD-LSDHHAIUSA-N 0 3 292.423 2.250 10 70 CEIEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)N1CCCCCC1 ZINC000160680636 367026722 /nfs/dbraw/zinc/02/67/22/367026722.db2.gz KFHHINFVFZAGRY-UONOGXRCSA-N 0 3 265.401 2.151 10 70 CEIEHN CC(C)CCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160293868 395061136 /nfs/dbraw/zinc/06/11/36/395061136.db2.gz LYDXXIJSNRXFBY-CQSZACIVSA-N 0 3 290.473 2.072 10 70 CEIEHN CC[C@@H]1COCCN1CCN(C)Cc1ccc(F)cc1 ZINC000159713501 162313452 /nfs/dbraw/zinc/31/34/52/162313452.db2.gz HLAVVQPDZDFFHR-MRXNPFEDSA-N 0 3 280.387 2.368 10 70 CEIEHN Cc1ccccc1[C@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000159603324 281383017 /nfs/dbraw/zinc/38/30/17/281383017.db2.gz PLHRMBXMANEEMG-QWHCGFSZSA-N 0 3 256.353 2.252 10 70 CEIEHN CCCCOC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160654912 520703346 /nfs/dbraw/zinc/70/33/46/520703346.db2.gz JTUXAWPLRPNWPJ-UHFFFAOYSA-N 0 3 279.384 2.323 10 70 CEIEHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@@H]1CCCO1 ZINC000160120859 366975263 /nfs/dbraw/zinc/97/52/63/366975263.db2.gz WZJHENPAEOHIBE-DOMZBBRYSA-N 0 3 276.380 2.046 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccccc1F)N(C)C ZINC000161211105 367068572 /nfs/dbraw/zinc/06/85/72/367068572.db2.gz VTICWZWFIOKOMM-ZDUSSCGKSA-N 0 3 252.333 2.172 10 70 CEIEHN CCC[C@H](C(=O)N(C)Cc1cccc(N(C)C)c1)N(C)C ZINC000160612136 276281334 /nfs/dbraw/zinc/28/13/34/276281334.db2.gz BHGPGJSVPFJGQY-MRXNPFEDSA-N 0 3 291.439 2.441 10 70 CEIEHN CCC[C@H](C(=O)NCCc1ccccc1OC)N(C)C ZINC000161252308 297442707 /nfs/dbraw/zinc/44/27/07/297442707.db2.gz DBYSWOZMHASDSN-CQSZACIVSA-N 0 3 278.396 2.084 10 70 CEIEHN CCn1cnnc1[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000161329493 523601870 /nfs/dbraw/zinc/60/18/70/523601870.db2.gz FWRTVKGLTGLPDS-KGLIPLIRSA-N 0 3 278.400 2.047 10 70 CEIEHN C[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O ZINC000159439368 366913519 /nfs/dbraw/zinc/91/35/19/366913519.db2.gz GQGXIPRZHNEQHE-WBMJQRKESA-N 0 3 256.349 2.438 10 70 CEIEHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCCO1 ZINC000160743337 367031465 /nfs/dbraw/zinc/03/14/65/367031465.db2.gz POJXQCYPGBHFQL-ZFWWWQNUSA-N 0 3 297.443 2.070 10 70 CEIEHN CCC[C@H](C(=O)NCCc1cccc(F)c1)N(C)C ZINC000161289818 367076148 /nfs/dbraw/zinc/07/61/48/367076148.db2.gz SNBLXRYHSLYWFZ-CQSZACIVSA-N 0 3 266.360 2.215 10 70 CEIEHN CC(=O)Nc1ccccc1CNC[C@@H](O)C(C)(C)C ZINC000160448398 344458985 /nfs/dbraw/zinc/45/89/85/344458985.db2.gz BAEXHOKHOFFFCN-CQSZACIVSA-N 0 3 264.369 2.142 10 70 CEIEHN CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)N(C)C ZINC000161204083 367068941 /nfs/dbraw/zinc/06/89/41/367068941.db2.gz HVPMYPQJHWKUMZ-HOTGVXAUSA-N 0 3 291.439 2.136 10 70 CEIEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(F)cc2)C1 ZINC000159861364 344455969 /nfs/dbraw/zinc/45/59/69/344455969.db2.gz SLRXYEDUQIFFMQ-DOMZBBRYSA-N 0 3 266.360 2.197 10 70 CEIEHN CCC[C@H](C(=O)N(C)Cc1ccc(O)c(OC)c1)N(C)C ZINC000159726111 366943548 /nfs/dbraw/zinc/94/35/48/366943548.db2.gz LRRWXUHXOFYBPQ-CYBMUJFWSA-N 0 3 294.395 2.090 10 70 CEIEHN CCc1ncnc(N2C[C@H]3CCCN3C[C@@H]2CC)c1F ZINC000160365907 366999697 /nfs/dbraw/zinc/99/96/97/366999697.db2.gz JGSDUNHDRPVVHA-NWDGAFQWSA-N 0 3 278.375 2.241 10 70 CEIEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)CC(C)C ZINC000160866171 367040202 /nfs/dbraw/zinc/04/02/02/367040202.db2.gz NCZOIPISIRWWIX-JKSUJKDBSA-N 0 3 292.423 2.250 10 70 CEIEHN CC(=O)c1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000161167425 367064507 /nfs/dbraw/zinc/06/45/07/367064507.db2.gz GCWLPEUSCCXNBU-WBMJQRKESA-N 0 3 288.391 2.348 10 70 CEIEHN CC(=O)c1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161235703 367069944 /nfs/dbraw/zinc/06/99/44/367069944.db2.gz DYNXPXYMIJWEKV-LRDDRELGSA-N 0 3 288.391 2.348 10 70 CEIEHN NC1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000160260459 295202388 /nfs/dbraw/zinc/20/23/88/295202388.db2.gz MGFJJGXSPVKOGH-BETUJISGSA-N 0 3 250.386 2.297 10 70 CEIEHN O[C@H](CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000160875556 367040151 /nfs/dbraw/zinc/04/01/51/367040151.db2.gz ZHAJLSZUUJEVGX-DJIMGWMZSA-N 0 3 293.382 2.486 10 70 CEIEHN CCC[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C ZINC000161133795 367060681 /nfs/dbraw/zinc/06/06/81/367060681.db2.gz AXGFRAVVCHJGKG-HNNXBMFYSA-N 0 3 260.381 2.302 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccccc1COC)N(C)C ZINC000161485318 367090800 /nfs/dbraw/zinc/09/08/00/367090800.db2.gz RPOLIRXZHSZPPN-OAHLLOKOSA-N 0 3 278.396 2.180 10 70 CEIEHN COc1cc(CN[C@H]2CCCCC[C@H]2O)cc2c1OCO2 ZINC000159914095 162320067 /nfs/dbraw/zinc/32/00/67/162320067.db2.gz RPLWWXUUJNMTJE-QWHCGFSZSA-N 0 3 293.363 2.207 10 70 CEIEHN Cc1ccccc1[C@@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000159603195 281356579 /nfs/dbraw/zinc/35/65/79/281356579.db2.gz PLHRMBXMANEEMG-CHWSQXEVSA-N 0 3 256.353 2.252 10 70 CEIEHN CN[C@H](C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956909 312635591 /nfs/dbraw/zinc/63/55/91/312635591.db2.gz BAEGIQFUYSUHLQ-ZCFIWIBFSA-N 0 3 275.121 2.135 10 70 CEIEHN CCC[C@H](C(=O)NCCc1ccccc1F)N(C)C ZINC000161260186 188518193 /nfs/dbraw/zinc/51/81/93/188518193.db2.gz URSGIFCFAYIXFL-CQSZACIVSA-N 0 3 266.360 2.215 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1ccccc1F)N(C)C ZINC000161260036 367073329 /nfs/dbraw/zinc/07/33/29/367073329.db2.gz URSGIFCFAYIXFL-AWEZNQCLSA-N 0 3 266.360 2.215 10 70 CEIEHN CCN1CCC[C@@H]1CN(C)C(=O)N1CCC(C)CC1 ZINC000160669669 279297734 /nfs/dbraw/zinc/29/77/34/279297734.db2.gz OZAGTVZNOGMPOZ-CQSZACIVSA-N 0 3 267.417 2.254 10 70 CEIEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(F)cc2)C1 ZINC000159861200 344456289 /nfs/dbraw/zinc/45/62/89/344456289.db2.gz SLRXYEDUQIFFMQ-IUODEOHRSA-N 0 3 266.360 2.197 10 70 CEIEHN COc1cc(CN[C@@H]2CCCCC[C@H]2O)cc2c1OCO2 ZINC000159913966 188447432 /nfs/dbraw/zinc/44/74/32/188447432.db2.gz RPLWWXUUJNMTJE-CHWSQXEVSA-N 0 3 293.363 2.207 10 70 CEIEHN CC[C@@](C)(O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000161434242 367086300 /nfs/dbraw/zinc/08/63/00/367086300.db2.gz VJJVFUCZDUCFNS-RDTXWAMCSA-N 0 3 269.410 2.017 10 70 CEIEHN CCC[C@H](C(=O)NCc1cccc(OC)c1OC)N(C)C ZINC000161477682 367089333 /nfs/dbraw/zinc/08/93/33/367089333.db2.gz PARWYKCFYGZXKY-CYBMUJFWSA-N 0 3 294.395 2.050 10 70 CEIEHN CCSCCN1CCC(c2ccnn2C)CC1 ZINC000160065766 162322913 /nfs/dbraw/zinc/32/29/13/162322913.db2.gz QBGLJCVPWXPBDY-UHFFFAOYSA-N 0 3 253.415 2.353 10 70 CEIEHN CCC[C@@H](C(=O)NCc1cccc(OC)c1)N(C)C ZINC000161205857 188514348 /nfs/dbraw/zinc/51/43/48/188514348.db2.gz NRCUEDNVMAPRNC-AWEZNQCLSA-N 0 3 264.369 2.042 10 70 CEIEHN Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(CN(C)C)c1 ZINC000160103105 366973508 /nfs/dbraw/zinc/97/35/08/366973508.db2.gz UXMIVZDVPVGHEW-HNNXBMFYSA-N 0 3 278.396 2.402 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1cccc(F)c1)N(C)C ZINC000161289701 367075764 /nfs/dbraw/zinc/07/57/64/367075764.db2.gz SNBLXRYHSLYWFZ-AWEZNQCLSA-N 0 3 266.360 2.215 10 70 CEIEHN CCC[C@@H](C(=O)N(C)CCOc1ccc(F)cc1)N(C)C ZINC000161331833 367078059 /nfs/dbraw/zinc/07/80/59/367078059.db2.gz XCKKDXPSEQABGS-HNNXBMFYSA-N 0 3 296.386 2.393 10 70 CEIEHN COc1cc(CN[C@H]2CCCCC[C@@H]2O)cc2c1OCO2 ZINC000159913841 162318311 /nfs/dbraw/zinc/31/83/11/162318311.db2.gz RPLWWXUUJNMTJE-STQMWFEESA-N 0 3 293.363 2.207 10 70 CEIEHN CCC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)cc1)N(C)C ZINC000159834648 276038722 /nfs/dbraw/zinc/03/87/22/276038722.db2.gz WJIAPQHUSNNWAI-SWLSCSKDSA-N 0 3 278.396 2.170 10 70 CEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000161313553 523601566 /nfs/dbraw/zinc/60/15/66/523601566.db2.gz GNBCEZIDULSRAL-CYBMUJFWSA-N 0 3 289.383 2.282 10 70 CEIEHN Cc1nn(C)c(C)c1CN1CCC(c2ccnn2C)CC1 ZINC000160526134 527631269 /nfs/dbraw/zinc/63/12/69/527631269.db2.gz UPSBTTRSPCGZCG-UHFFFAOYSA-N 0 3 287.411 2.150 10 70 CEIEHN Cc1cc2ncc([C@H](C)N[C@@H]3CCC[C@@H](O)C3)c(C)n2n1 ZINC000217622680 539226844 /nfs/dbraw/zinc/22/68/44/539226844.db2.gz RSYUSMFWWSSQSA-IACUBPJLSA-N 0 3 288.395 2.300 10 70 CEIEHN CCC[C@H](C(=O)NCCc1ccc(C)cc1)N(C)C ZINC000160210060 188460387 /nfs/dbraw/zinc/46/03/87/188460387.db2.gz AKIZWELSQGRFGB-OAHLLOKOSA-N 0 3 262.397 2.384 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)N(C)C ZINC000160616528 367022296 /nfs/dbraw/zinc/02/22/96/367022296.db2.gz TVMQRZQLJZJVDJ-HNNXBMFYSA-N 0 3 292.427 2.345 10 70 CEIEHN C[C@@H]1[C@H](C)OCCN1CCN(C)Cc1ccc(F)cc1 ZINC000160283612 279106966 /nfs/dbraw/zinc/10/69/66/279106966.db2.gz JCBGKOJBOVYNHJ-KGLIPLIRSA-N 0 3 280.387 2.367 10 70 CEIEHN Cc1noc(Cl)c1CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000161200527 526633323 /nfs/dbraw/zinc/63/33/23/526633323.db2.gz RYMDHMLAEVYGND-JOYOIKCWSA-N 0 3 299.802 2.024 10 70 CEIEHN CSc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1F ZINC000161373035 367081337 /nfs/dbraw/zinc/08/13/37/367081337.db2.gz LZCXWSVJMJMMPP-NSHDSACASA-N 0 3 282.384 2.324 10 70 CEIEHN CCC[C@H](C(=O)NCCCN(C)c1ccccc1)N(C)C ZINC000161297708 367075802 /nfs/dbraw/zinc/07/58/02/367075802.db2.gz AMTZAUJTTRGLBF-MRXNPFEDSA-N 0 3 291.439 2.359 10 70 CEIEHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCCO1 ZINC000160743564 367031518 /nfs/dbraw/zinc/03/15/18/367031518.db2.gz POJXQCYPGBHFQL-DZGCQCFKSA-N 0 3 297.443 2.070 10 70 CEIEHN CCC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)C ZINC000161142024 367061189 /nfs/dbraw/zinc/06/11/89/367061189.db2.gz YVZVVAJAXLHOKO-INIZCTEOSA-N 0 3 289.423 2.066 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)N(C)C ZINC000161185573 367065640 /nfs/dbraw/zinc/06/56/40/367065640.db2.gz ZZTNRFANWDIGSA-ZDUSSCGKSA-N 0 3 294.395 2.050 10 70 CEIEHN CCC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)cc1)N(C)C ZINC000159834525 276269041 /nfs/dbraw/zinc/26/90/41/276269041.db2.gz WJIAPQHUSNNWAI-WFASDCNBSA-N 0 3 278.396 2.170 10 70 CEIEHN CCn1cc(C2CCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000160458686 523355771 /nfs/dbraw/zinc/35/57/71/523355771.db2.gz PZUDQYWAIGLZPD-HNNXBMFYSA-N 0 3 263.385 2.261 10 70 CEIEHN CCn1ccnc1CN1CCC(c2ccn[nH]2)CC1 ZINC000160901494 523527863 /nfs/dbraw/zinc/52/78/63/523527863.db2.gz KDPIFQRZEZSHRU-UHFFFAOYSA-N 0 3 259.357 2.006 10 70 CEIEHN CCC[C@@H](C(=O)NCCCc1ccccc1)N(C)C ZINC000161185036 367065066 /nfs/dbraw/zinc/06/50/66/367065066.db2.gz LOPKZAVUTCOJKM-HNNXBMFYSA-N 0 3 262.397 2.466 10 70 CEIEHN CCC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)N(C)C ZINC000161204342 367068495 /nfs/dbraw/zinc/06/84/95/367068495.db2.gz HVPMYPQJHWKUMZ-HZPDHXFCSA-N 0 3 291.439 2.136 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccc(F)c(C)c1)N(C)C ZINC000161353727 297444135 /nfs/dbraw/zinc/44/41/35/297444135.db2.gz PQBKKOXJFBTRES-AWEZNQCLSA-N 0 3 266.360 2.481 10 70 CEIEHN COc1cc(NC(=O)[C@@]2(C)CCCCN2)ccc1F ZINC000160312789 366993344 /nfs/dbraw/zinc/99/33/44/366993344.db2.gz DSXLYTVAUXGLIC-CQSZACIVSA-N 0 3 266.316 2.305 10 70 CEIEHN C[C@@H]1OCC[C@@H]1NCc1cncc(Br)c1 ZINC000160592407 367021509 /nfs/dbraw/zinc/02/15/09/367021509.db2.gz DJFBXFRDAGJMSP-KWQFWETISA-N 0 3 271.158 2.111 10 70 CEIEHN CC1=C(C(=O)N[C@H](CN(C)C)c2ccccc2)CCCO1 ZINC000160545007 367015615 /nfs/dbraw/zinc/01/56/15/367015615.db2.gz PSMZMMQHGPRFAK-MRXNPFEDSA-N 0 3 288.391 2.490 10 70 CEIEHN CCC[C@H](C(=O)NCCc1ccc(F)cc1)N(C)C ZINC000161192567 367066992 /nfs/dbraw/zinc/06/69/92/367066992.db2.gz VNFVUGQCSUIPNU-CQSZACIVSA-N 0 3 266.360 2.215 10 70 CEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(Cl)n2)C1 ZINC000161252443 367071424 /nfs/dbraw/zinc/07/14/24/367071424.db2.gz PPIHKPKMXWKBPT-PWSUYJOCSA-N 0 3 281.787 2.194 10 70 CEIEHN Cc1cccc2c(N3CCS(=O)(=O)[C@H](C)C3)ccnc12 ZINC000160725794 367029311 /nfs/dbraw/zinc/02/93/11/367029311.db2.gz YHXVSJCVQUMYCG-GFCCVEGCSA-N 0 3 290.388 2.167 10 70 CEIEHN CCC[C@H](C(=O)N[C@H](C)Cc1ccc(O)cc1)N(C)C ZINC000159834912 276282457 /nfs/dbraw/zinc/28/24/57/276282457.db2.gz WJIAPQHUSNNWAI-IUODEOHRSA-N 0 3 278.396 2.170 10 70 CEIEHN C[C@H]1OCCN(CCN(C)Cc2ccc(F)cc2)[C@H]1C ZINC000160284004 280055437 /nfs/dbraw/zinc/05/54/37/280055437.db2.gz JCBGKOJBOVYNHJ-UONOGXRCSA-N 0 3 280.387 2.367 10 70 CEIEHN CCN1CCC[C@@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159733420 366942910 /nfs/dbraw/zinc/94/29/10/366942910.db2.gz LNKOEWUJUCDTNI-QWHCGFSZSA-N 0 3 255.406 2.205 10 70 CEIEHN CC(=O)c1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000161235601 367070193 /nfs/dbraw/zinc/07/01/93/367070193.db2.gz DYNXPXYMIJWEKV-WBMJQRKESA-N 0 3 288.391 2.348 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1cc(C)ccc1OC)N(C)C ZINC000161288487 367076182 /nfs/dbraw/zinc/07/61/82/367076182.db2.gz DKGYILCULHTACS-HNNXBMFYSA-N 0 3 292.423 2.393 10 70 CEIEHN CCn1ccnc1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000217800787 280209788 /nfs/dbraw/zinc/20/97/88/280209788.db2.gz BGXNKJHWEJGLRA-GFCCVEGCSA-N 0 3 296.415 2.296 10 70 CEIEHN CCn1cnnc1[C@H]1CCCN(CCc2ccncc2)C1 ZINC000161414533 523604305 /nfs/dbraw/zinc/60/43/05/523604305.db2.gz CBRJUPWQTPUHES-HNNXBMFYSA-N 0 3 285.395 2.115 10 70 CEIEHN C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217641960 539227007 /nfs/dbraw/zinc/22/70/07/539227007.db2.gz FERLNJOKDBAGOM-FPMFFAJLSA-N 0 3 297.420 2.044 10 70 CEIEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(C2CC2)CC1 ZINC000159643684 366935735 /nfs/dbraw/zinc/93/57/35/366935735.db2.gz JESAAUMWCUFKGK-AWEZNQCLSA-N 0 3 281.444 2.452 10 70 CEIEHN CCCC(=O)N[C@@H]1CCCN(CCSCC)C1 ZINC000160188488 366981466 /nfs/dbraw/zinc/98/14/66/366981466.db2.gz QNLSDFNJBXATMB-GFCCVEGCSA-N 0 3 258.431 2.120 10 70 CEIEHN C[C@H]1OCC[C@@H]1NCc1cncc(Br)c1 ZINC000160592276 367021475 /nfs/dbraw/zinc/02/14/75/367021475.db2.gz DJFBXFRDAGJMSP-KCJUWKMLSA-N 0 3 271.158 2.111 10 70 CEIEHN O[C@H](CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000160772735 285353457 /nfs/dbraw/zinc/35/34/57/285353457.db2.gz JIOAGWSHSXCELT-KBRIMQKVSA-N 0 3 293.382 2.486 10 70 CEIEHN Cn1nccc1C1CCN(Cc2cccnc2)CC1 ZINC000160529459 527600137 /nfs/dbraw/zinc/60/01/37/527600137.db2.gz KACFRBDGOHTVMK-UHFFFAOYSA-N 0 3 256.353 2.195 10 70 CEIEHN C[C@@H](O)C1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159619298 366933209 /nfs/dbraw/zinc/93/32/09/366933209.db2.gz ZZOQONKMBCQLPY-CQSZACIVSA-N 0 3 294.414 2.350 10 70 CEIEHN CCN1CCO[C@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000160237019 344457792 /nfs/dbraw/zinc/45/77/92/344457792.db2.gz YQWFVPDINDTKPU-GDBMZVCRSA-N 0 3 262.397 2.366 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(C)C ZINC000161169906 367063769 /nfs/dbraw/zinc/06/37/69/367063769.db2.gz ZZTXWVMBROBQTG-HNNXBMFYSA-N 0 3 278.396 2.084 10 70 CEIEHN C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217641794 539227068 /nfs/dbraw/zinc/22/70/68/539227068.db2.gz FERLNJOKDBAGOM-IACUBPJLSA-N 0 3 297.420 2.044 10 70 CEIEHN CCN1CCC[C@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159733248 366943294 /nfs/dbraw/zinc/94/32/94/366943294.db2.gz LNKOEWUJUCDTNI-STQMWFEESA-N 0 3 255.406 2.205 10 70 CEIEHN CCC[C@@H](C(=O)N(C)Cc1cccc(N(C)C)c1)N(C)C ZINC000160612006 367022155 /nfs/dbraw/zinc/02/21/55/367022155.db2.gz BHGPGJSVPFJGQY-INIZCTEOSA-N 0 3 291.439 2.441 10 70 CEIEHN CC[C@@](C)(O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000160429188 367005421 /nfs/dbraw/zinc/00/54/21/367005421.db2.gz VMBNGOTVWBSVLU-MRXNPFEDSA-N 0 3 273.380 2.465 10 70 CEIEHN CC1=C(C(=O)N[C@@H](CN(C)C)c2ccccc2)CCCO1 ZINC000160544883 367015299 /nfs/dbraw/zinc/01/52/99/367015299.db2.gz PSMZMMQHGPRFAK-INIZCTEOSA-N 0 3 288.391 2.490 10 70 CEIEHN CCCCOC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160651128 520703246 /nfs/dbraw/zinc/70/32/46/520703246.db2.gz HBUFUGWBIQLRGK-UHFFFAOYSA-N 0 3 293.411 2.333 10 70 CEIEHN CCN(C[C@@H]1COc2ccccc2O1)C[C@](C)(O)CC ZINC000160381426 367001182 /nfs/dbraw/zinc/00/11/82/367001182.db2.gz YSHONJMHQUUXSL-CZUORRHYSA-N 0 3 279.380 2.309 10 70 CEIEHN CCc1ncnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000160466909 367008471 /nfs/dbraw/zinc/00/84/71/367008471.db2.gz IJWRXIMTCPHWRU-JQWIXIFHSA-N 0 3 266.364 2.319 10 70 CEIEHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)CC(C)C ZINC000160866035 367039807 /nfs/dbraw/zinc/03/98/07/367039807.db2.gz NCZOIPISIRWWIX-HOTGVXAUSA-N 0 3 292.423 2.250 10 70 CEIEHN CC(=O)Nc1ccccc1CNC[C@H](O)C(C)(C)C ZINC000160448268 344458840 /nfs/dbraw/zinc/45/88/40/344458840.db2.gz BAEXHOKHOFFFCN-AWEZNQCLSA-N 0 3 264.369 2.142 10 70 CEIEHN CC[C@@H](SC)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160545300 367015502 /nfs/dbraw/zinc/01/55/02/367015502.db2.gz VRIPNFWDWUGKSK-CHWSQXEVSA-N 0 3 272.458 2.365 10 70 CEIEHN CCC[C@H](C(=O)N(C)CCOc1ccccc1F)N(C)C ZINC000161333259 297444066 /nfs/dbraw/zinc/44/40/66/297444066.db2.gz JWYQAZPFIGYQLC-CQSZACIVSA-N 0 3 296.386 2.393 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1cccc(OCC)c1)N(C)C ZINC000161471220 297445403 /nfs/dbraw/zinc/44/54/03/297445403.db2.gz DXTYPPDLDYZTAT-INIZCTEOSA-N 0 3 292.423 2.474 10 70 CEIEHN CCSCCN1CCC[C@@H](c2nncn2CC)C1 ZINC000160104565 162324116 /nfs/dbraw/zinc/32/41/16/162324116.db2.gz IJJWKWZCNREQQA-GFCCVEGCSA-N 0 3 268.430 2.231 10 70 CEIEHN CC[C@H]1COCCN1CCN(C)Cc1ccc(F)cc1 ZINC000159713633 162313463 /nfs/dbraw/zinc/31/34/63/162313463.db2.gz HLAVVQPDZDFFHR-INIZCTEOSA-N 0 3 280.387 2.368 10 70 CEIEHN C[C@@H]1OCCN(CCN(C)Cc2ccc(F)cc2)[C@H]1C ZINC000160283744 278053386 /nfs/dbraw/zinc/05/33/86/278053386.db2.gz JCBGKOJBOVYNHJ-KBPBESRZSA-N 0 3 280.387 2.367 10 70 CEIEHN C[C@H](O)C1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159619177 366932306 /nfs/dbraw/zinc/93/23/06/366932306.db2.gz ZZOQONKMBCQLPY-AWEZNQCLSA-N 0 3 294.414 2.350 10 70 CEIEHN CC[C@](C)(O)CN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161133004 367061119 /nfs/dbraw/zinc/06/11/19/367061119.db2.gz JWVJLBLZMAETFA-WBVHZDCISA-N 0 3 290.407 2.275 10 70 CEIEHN CS[C@H](C)CC(=O)N[C@H](CC(C)C)CN(C)C ZINC000161174342 367063391 /nfs/dbraw/zinc/06/33/91/367063391.db2.gz GOUUIZWEYSPQKL-VXGBXAGGSA-N 0 3 260.447 2.221 10 70 CEIEHN CC(C)N1C[C@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000161281692 367074733 /nfs/dbraw/zinc/07/47/33/367074733.db2.gz UAGWFZLGBIXSFT-FZMZJTMJSA-N 0 3 286.379 2.021 10 70 CEIEHN CCCCOC(=O)[C@@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000160070728 162322527 /nfs/dbraw/zinc/32/25/27/162322527.db2.gz XKNSTPBWAKAULB-GFCCVEGCSA-N 0 3 279.384 2.321 10 70 CEIEHN Cc1nn(C)c(C)c1CN1CCC(c2cc[nH]n2)CC1 ZINC000160545598 527631043 /nfs/dbraw/zinc/63/10/43/527631043.db2.gz SPHSOOMANLTVHQ-UHFFFAOYSA-N 0 3 273.384 2.140 10 70 CEIEHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@@H]1CCCO1 ZINC000160743442 367031594 /nfs/dbraw/zinc/03/15/94/367031594.db2.gz POJXQCYPGBHFQL-HIFRSBDPSA-N 0 3 297.443 2.070 10 70 CEIEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000159922867 540439983 /nfs/dbraw/zinc/43/99/83/540439983.db2.gz OKXPYVYCPWHZPB-ZBFHGGJFSA-N 0 3 262.397 2.366 10 70 CEIEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC1(C2CC2)CC1 ZINC000159643828 366936058 /nfs/dbraw/zinc/93/60/58/366936058.db2.gz JESAAUMWCUFKGK-CQSZACIVSA-N 0 3 281.444 2.452 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1ccc(C)cc1)N(C)C ZINC000160209919 366982741 /nfs/dbraw/zinc/98/27/41/366982741.db2.gz AKIZWELSQGRFGB-HNNXBMFYSA-N 0 3 262.397 2.384 10 70 CEIEHN CC[C@](C)(O)CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000160429061 367005230 /nfs/dbraw/zinc/00/52/30/367005230.db2.gz VMBNGOTVWBSVLU-INIZCTEOSA-N 0 3 273.380 2.465 10 70 CEIEHN CCC[C@H](C(=O)NCCc1ccc(OC)cc1)N(C)C ZINC000161170038 367063848 /nfs/dbraw/zinc/06/38/48/367063848.db2.gz ZZTXWVMBROBQTG-OAHLLOKOSA-N 0 3 278.396 2.084 10 70 CEIEHN CCC[C@@H](C(=O)N1CCc2sccc2C1)N(C)C ZINC000161363720 367081494 /nfs/dbraw/zinc/08/14/94/367081494.db2.gz IEEVJHOTBMBKFS-LBPRGKRZSA-N 0 3 266.410 2.363 10 70 CEIEHN CN(CCN1CCOC[C@@H]1C1CC1)Cc1ccc(F)cc1 ZINC000161272491 522841035 /nfs/dbraw/zinc/84/10/35/522841035.db2.gz KAXOCFURMKKEGE-QGZVFWFLSA-N 0 3 292.398 2.368 10 70 CEIEHN c1nc2ccccn2c1CN1CCN2CCCC[C@@H]2C1 ZINC000160534772 526610376 /nfs/dbraw/zinc/61/03/76/526610376.db2.gz OMNMEZNTHIVAOZ-CQSZACIVSA-N 0 3 270.380 2.004 10 70 CEIEHN COc1ccc(Cn2nc(C(=N)N)c3ccccc32)cc1 ZINC000218703097 370212328 /nfs/dbraw/zinc/21/23/28/370212328.db2.gz YHPZSFAPCRBNRU-UHFFFAOYSA-N 0 3 280.331 2.377 10 70 CEIEHN Cc1ccccc1[C@H](C)N[C@H]1CCc2ncnn2C1 ZINC000159603594 281383100 /nfs/dbraw/zinc/38/31/00/281383100.db2.gz PLHRMBXMANEEMG-STQMWFEESA-N 0 3 256.353 2.252 10 70 CEIEHN CSc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1F ZINC000161372934 367080775 /nfs/dbraw/zinc/08/07/75/367080775.db2.gz LZCXWSVJMJMMPP-LLVKDONJSA-N 0 3 282.384 2.324 10 70 CEIEHN CCn1cnnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000161263063 367073434 /nfs/dbraw/zinc/07/34/34/367073434.db2.gz GMILJRIAETZUMQ-AWEZNQCLSA-N 0 3 271.368 2.073 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccc(OC)c(F)c1)N(C)C ZINC000161489433 367091219 /nfs/dbraw/zinc/09/12/19/367091219.db2.gz UHTZEQJKLHLGCH-ZDUSSCGKSA-N 0 3 282.359 2.181 10 70 CEIEHN CCCn1nccc1CN[C@H](CC(C)C)CN(C)C ZINC000160087605 540111510 /nfs/dbraw/zinc/11/15/10/540111510.db2.gz BGHORKLJYZOOQJ-CQSZACIVSA-N 0 3 266.433 2.359 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccccc1F)N(C)C ZINC000161211204 367069334 /nfs/dbraw/zinc/06/93/34/367069334.db2.gz VTICWZWFIOKOMM-CYBMUJFWSA-N 0 3 252.333 2.172 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1cccs1)N(C)C ZINC000161255387 367072647 /nfs/dbraw/zinc/07/26/47/367072647.db2.gz MXWBNVFPVSOUHK-LBPRGKRZSA-N 0 3 254.399 2.137 10 70 CEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000161316738 367077534 /nfs/dbraw/zinc/07/75/34/367077534.db2.gz RLGYMIJNHVDNRM-CJNGLKHVSA-N 0 3 285.391 2.398 10 70 CEIEHN c1cnn(CC2CCN(Cc3cnc4ccccn34)CC2)c1 ZINC000160091322 162322161 /nfs/dbraw/zinc/32/21/61/162322161.db2.gz GSQLGAIXPSRZEN-UHFFFAOYSA-N 0 3 295.390 2.443 10 70 CEIEHN CS[C@H](C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000159644109 366935899 /nfs/dbraw/zinc/93/58/99/366935899.db2.gz RMLSHBGGQDMXBO-VXGBXAGGSA-N 0 3 275.462 2.013 10 70 CEIEHN CCC[C@H](C(=O)NCc1cccc(OC)c1)N(C)C ZINC000161205944 367068666 /nfs/dbraw/zinc/06/86/66/367068666.db2.gz NRCUEDNVMAPRNC-CQSZACIVSA-N 0 3 264.369 2.042 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccc(F)c(C)c1)N(C)C ZINC000161353857 297444086 /nfs/dbraw/zinc/44/40/86/297444086.db2.gz PQBKKOXJFBTRES-CQSZACIVSA-N 0 3 266.360 2.481 10 70 CEIEHN Cn1cc([C@@H]2CCN(Cc3cnc4ccccn34)C2)cn1 ZINC000160473635 527300466 /nfs/dbraw/zinc/30/04/66/527300466.db2.gz DAFSKVZWHRNKRV-CYBMUJFWSA-N 0 3 281.363 2.057 10 70 CEIEHN c1ccc(NC[C@H]2CCN(CCOCC3CC3)C2)nc1 ZINC000160082199 162322826 /nfs/dbraw/zinc/32/28/26/162322826.db2.gz KWNHLQDMAZWPKH-OAHLLOKOSA-N 0 3 275.396 2.242 10 70 CEIEHN Cn1cc([C@H]2CCN(Cc3cnc4ccccn34)C2)cn1 ZINC000160473768 527318964 /nfs/dbraw/zinc/31/89/64/527318964.db2.gz DAFSKVZWHRNKRV-ZDUSSCGKSA-N 0 3 281.363 2.057 10 70 CEIEHN CCN1CCO[C@@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160989510 540695474 /nfs/dbraw/zinc/69/54/74/540695474.db2.gz KOMIMXRJBXXFME-AWEZNQCLSA-N 0 3 286.778 2.289 10 70 CEIEHN CCCC(=O)N[C@H]1CCCN(CCSCC)C1 ZINC000160188635 366980664 /nfs/dbraw/zinc/98/06/64/366980664.db2.gz QNLSDFNJBXATMB-LBPRGKRZSA-N 0 3 258.431 2.120 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccc(F)cc1)N(C)C ZINC000161193028 367066753 /nfs/dbraw/zinc/06/67/53/367066753.db2.gz ZBNIMWVDGQMKLJ-ZDUSSCGKSA-N 0 3 252.333 2.172 10 70 CEIEHN CCC[C@@H](C(=O)NCc1ccccc1COC)N(C)C ZINC000161485195 367090600 /nfs/dbraw/zinc/09/06/00/367090600.db2.gz RPOLIRXZHSZPPN-HNNXBMFYSA-N 0 3 278.396 2.180 10 70 CEIEHN CCCCOC(=O)[C@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000160070861 162323945 /nfs/dbraw/zinc/32/39/45/162323945.db2.gz XKNSTPBWAKAULB-LBPRGKRZSA-N 0 3 279.384 2.321 10 70 CEIEHN CCC[C@@H](C(=O)N(C)Cc1ccc(O)c(OC)c1)N(C)C ZINC000159725973 276268656 /nfs/dbraw/zinc/26/86/56/276268656.db2.gz LRRWXUHXOFYBPQ-ZDUSSCGKSA-N 0 3 294.395 2.090 10 70 CEIEHN CCOCCN(C)CCN(C)Cc1ccc(F)cc1 ZINC000161397069 519904079 /nfs/dbraw/zinc/90/40/79/519904079.db2.gz QYDMMNVVGRJBFK-UHFFFAOYSA-N 0 3 268.376 2.226 10 70 CEIEHN Cc1noc(Cl)c1CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161200654 526634079 /nfs/dbraw/zinc/63/40/79/526634079.db2.gz RYMDHMLAEVYGND-CABZTGNLSA-N 0 3 299.802 2.024 10 70 CEIEHN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(CN(C)C)c1 ZINC000160103225 366973334 /nfs/dbraw/zinc/97/33/34/366973334.db2.gz UXMIVZDVPVGHEW-OAHLLOKOSA-N 0 3 278.396 2.402 10 70 CEIEHN CC[C@@](C)(O)CN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161133120 367060746 /nfs/dbraw/zinc/06/07/46/367060746.db2.gz JWVJLBLZMAETFA-NVXWUHKLSA-N 0 3 290.407 2.275 10 70 CEIEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)N1CCCCCC1 ZINC000160680512 367026806 /nfs/dbraw/zinc/02/68/06/367026806.db2.gz KFHHINFVFZAGRY-ZIAGYGMSSA-N 0 3 265.401 2.151 10 70 CEIEHN CCC[C@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)N(C)C ZINC000161269370 276281083 /nfs/dbraw/zinc/28/10/83/276281083.db2.gz FXTXHYFUVNNFJS-CYBMUJFWSA-N 0 3 292.379 2.104 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1ccccc1OC)N(C)C ZINC000161252190 297443044 /nfs/dbraw/zinc/44/30/44/297443044.db2.gz DBYSWOZMHASDSN-AWEZNQCLSA-N 0 3 278.396 2.084 10 70 CEIEHN CCN(C[C@@H]1COc2ccccc2O1)C[C@@](C)(O)CC ZINC000160381299 367000929 /nfs/dbraw/zinc/00/09/29/367000929.db2.gz YSHONJMHQUUXSL-CJNGLKHVSA-N 0 3 279.380 2.309 10 70 CEIEHN CCC[C@@H](C(=O)NCc1cccc(OC)c1OC)N(C)C ZINC000161477566 367089531 /nfs/dbraw/zinc/08/95/31/367089531.db2.gz PARWYKCFYGZXKY-ZDUSSCGKSA-N 0 3 294.395 2.050 10 70 CEIEHN C[C@H]1OCCN(CCN(C)Cc2ccc(F)cc2)[C@@H]1C ZINC000160283890 395060428 /nfs/dbraw/zinc/06/04/28/395060428.db2.gz JCBGKOJBOVYNHJ-ZIAGYGMSSA-N 0 3 280.387 2.367 10 70 CEIEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000159922736 540440042 /nfs/dbraw/zinc/44/00/42/540440042.db2.gz OKXPYVYCPWHZPB-GDBMZVCRSA-N 0 3 262.397 2.366 10 70 CEIEHN CCC[C@H](C(=O)N1CCc2ccc(F)cc2C1)N(C)C ZINC000161478212 276037742 /nfs/dbraw/zinc/03/77/42/276037742.db2.gz GFZILDCLZWLHPX-OAHLLOKOSA-N 0 3 278.371 2.441 10 70 CEIEHN CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)cc1)N(C)C ZINC000159834779 276269135 /nfs/dbraw/zinc/26/91/35/276269135.db2.gz WJIAPQHUSNNWAI-DOMZBBRYSA-N 0 3 278.396 2.170 10 70 CEIEHN Cn1nccc1C1CCN(CCOCC2CC2)CC1 ZINC000160065377 232249044 /nfs/dbraw/zinc/24/90/44/232249044.db2.gz NIXJRLWIKOHSLN-UHFFFAOYSA-N 0 3 263.385 2.026 10 70 CEIEHN CC[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160298326 366992486 /nfs/dbraw/zinc/99/24/86/366992486.db2.gz STHVMSKPGTYDJF-UONOGXRCSA-N 0 3 290.473 2.072 10 70 CEIEHN CCN1CCO[C@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160989382 540695372 /nfs/dbraw/zinc/69/53/72/540695372.db2.gz KOMIMXRJBXXFME-CQSZACIVSA-N 0 3 286.778 2.289 10 70 CEIEHN c1ccc(NC[C@@H]2CCN(CCOCC3CC3)C2)nc1 ZINC000160082105 162322545 /nfs/dbraw/zinc/32/25/45/162322545.db2.gz KWNHLQDMAZWPKH-HNNXBMFYSA-N 0 3 275.396 2.242 10 70 CEIEHN CCN1CCC[C@H]1CN(C)C(=O)N1CCC(C)CC1 ZINC000160669877 276376510 /nfs/dbraw/zinc/37/65/10/276376510.db2.gz OZAGTVZNOGMPOZ-AWEZNQCLSA-N 0 3 267.417 2.254 10 70 CEIEHN CCN1CCO[C@@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000160237160 344457426 /nfs/dbraw/zinc/45/74/26/344457426.db2.gz YQWFVPDINDTKPU-ZBFHGGJFSA-N 0 3 262.397 2.366 10 70 CEIEHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)[C@H]1CCCO1 ZINC000160743713 367031556 /nfs/dbraw/zinc/03/15/56/367031556.db2.gz POJXQCYPGBHFQL-UKRRQHHQSA-N 0 3 297.443 2.070 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccc(OC)c(F)c1)N(C)C ZINC000161489557 367090897 /nfs/dbraw/zinc/09/08/97/367090897.db2.gz UHTZEQJKLHLGCH-CYBMUJFWSA-N 0 3 282.359 2.181 10 70 CEIEHN COc1cc(CN[C@@H]2CCCCC[C@@H]2O)cc2c1OCO2 ZINC000159913704 162320630 /nfs/dbraw/zinc/32/06/30/162320630.db2.gz RPLWWXUUJNMTJE-OLZOCXBDSA-N 0 3 293.363 2.207 10 70 CEIEHN CCCSCC(=O)NC[C@H]1CCCN1CC(C)C ZINC000160487578 367010674 /nfs/dbraw/zinc/01/06/74/367010674.db2.gz UVPDPNSORCMKSF-CYBMUJFWSA-N 0 3 272.458 2.366 10 70 CEIEHN CCC[C@H](C(=O)NCCc1cccs1)N(C)C ZINC000161255495 367072621 /nfs/dbraw/zinc/07/26/21/367072621.db2.gz MXWBNVFPVSOUHK-GFCCVEGCSA-N 0 3 254.399 2.137 10 70 CEIEHN CCC[C@@H](C(=O)N(C)Cc1ccc(C)o1)N(C)C ZINC000161221507 283459920 /nfs/dbraw/zinc/45/99/20/283459920.db2.gz YYHCGDXPGJHBRS-ZDUSSCGKSA-N 0 3 252.358 2.277 10 70 CEIEHN CC[C@H](C)[C@@H](N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000160865370 367039620 /nfs/dbraw/zinc/03/96/20/367039620.db2.gz PQYGZNRDQPHNKN-CWRNSKLLSA-N 0 3 292.423 2.250 10 70 CEIEHN CCC[C@H](C(=O)N(C)CCOc1ccccc1)N(C)C ZINC000161213470 367068122 /nfs/dbraw/zinc/06/81/22/367068122.db2.gz OSCNRQXBAABANF-OAHLLOKOSA-N 0 3 278.396 2.254 10 70 CEIEHN CCC[C@@H](C(=O)N(C)CCOc1ccccc1F)N(C)C ZINC000161333117 367078136 /nfs/dbraw/zinc/07/81/36/367078136.db2.gz JWYQAZPFIGYQLC-AWEZNQCLSA-N 0 3 296.386 2.393 10 70 CEIEHN CCn1cc(C2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000160458843 523357169 /nfs/dbraw/zinc/35/71/69/523357169.db2.gz PZUDQYWAIGLZPD-OAHLLOKOSA-N 0 3 263.385 2.261 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccn(C2CCCC2)n1)N(C)C ZINC000160616665 367022541 /nfs/dbraw/zinc/02/25/41/367022541.db2.gz TVMQRZQLJZJVDJ-OAHLLOKOSA-N 0 3 292.427 2.345 10 70 CEIEHN CCC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)N(C)C ZINC000161204285 278855680 /nfs/dbraw/zinc/85/56/80/278855680.db2.gz HVPMYPQJHWKUMZ-JKSUJKDBSA-N 0 3 291.439 2.136 10 70 CEIEHN C[C@H]1OCC[C@H]1NCc1cncc(Br)c1 ZINC000160592028 367021002 /nfs/dbraw/zinc/02/10/02/367021002.db2.gz DJFBXFRDAGJMSP-LDYMZIIASA-N 0 3 271.158 2.111 10 70 CEIEHN CCC[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)C ZINC000161192479 367067124 /nfs/dbraw/zinc/06/71/24/367067124.db2.gz VNFVUGQCSUIPNU-AWEZNQCLSA-N 0 3 266.360 2.215 10 70 CEIEHN CCOC(=O)CCN1CCC(c2cnn(CC)c2)CC1 ZINC000160637873 520676788 /nfs/dbraw/zinc/67/67/88/520676788.db2.gz CLCCLXRPKUYHPD-UHFFFAOYSA-N 0 3 279.384 2.036 10 70 CEIEHN COC(CN1CCC[C@H](c2nc(C)cs2)C1)OC ZINC000160784120 522534628 /nfs/dbraw/zinc/53/46/28/522534628.db2.gz BNDFRFKHWJULEE-NSHDSACASA-N 0 3 270.398 2.250 10 70 CEIEHN CCN1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159734906 366944772 /nfs/dbraw/zinc/94/47/72/366944772.db2.gz SAGIBXNUUMSTFX-CQSZACIVSA-N 0 3 279.428 2.350 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccc(F)cc1)N(C)C ZINC000161193146 367067199 /nfs/dbraw/zinc/06/71/99/367067199.db2.gz ZBNIMWVDGQMKLJ-CYBMUJFWSA-N 0 3 252.333 2.172 10 70 CEIEHN COC(CN1CCC[C@@H](c2nc(C)cs2)C1)OC ZINC000160783994 522533198 /nfs/dbraw/zinc/53/31/98/522533198.db2.gz BNDFRFKHWJULEE-LLVKDONJSA-N 0 3 270.398 2.250 10 70 CEIEHN C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O ZINC000159439476 366913482 /nfs/dbraw/zinc/91/34/82/366913482.db2.gz GQGXIPRZHNEQHE-LRDDRELGSA-N 0 3 256.349 2.438 10 70 CEIEHN CC[C@H](SC)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160545164 367015681 /nfs/dbraw/zinc/01/56/81/367015681.db2.gz VRIPNFWDWUGKSK-OLZOCXBDSA-N 0 3 272.458 2.365 10 70 CEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000161281581 367074711 /nfs/dbraw/zinc/07/47/11/367074711.db2.gz UAGWFZLGBIXSFT-RISCZKNCSA-N 0 3 286.379 2.021 10 70 CEIEHN CC[C@@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160298196 366992626 /nfs/dbraw/zinc/99/26/26/366992626.db2.gz STHVMSKPGTYDJF-ZIAGYGMSSA-N 0 3 290.473 2.072 10 70 CEIEHN CCc1ncnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000160466815 367008279 /nfs/dbraw/zinc/00/82/79/367008279.db2.gz IJWRXIMTCPHWRU-CMPLNLGQSA-N 0 3 266.364 2.319 10 70 CEIEHN CC(=O)c1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000161167523 367063727 /nfs/dbraw/zinc/06/37/27/367063727.db2.gz GCWLPEUSCCXNBU-LRDDRELGSA-N 0 3 288.391 2.348 10 70 CEIEHN CCC[C@H](C(=O)N1CCc2sccc2C1)N(C)C ZINC000161363843 367081623 /nfs/dbraw/zinc/08/16/23/367081623.db2.gz IEEVJHOTBMBKFS-GFCCVEGCSA-N 0 3 266.410 2.363 10 70 CEIEHN CCSCCN1CCC[C@H](c2nncn2CC)C1 ZINC000160104698 162323765 /nfs/dbraw/zinc/32/37/65/162323765.db2.gz IJJWKWZCNREQQA-LBPRGKRZSA-N 0 3 268.430 2.231 10 70 CEIEHN CCC[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)N(C)C ZINC000161269254 276268557 /nfs/dbraw/zinc/26/85/57/276268557.db2.gz FXTXHYFUVNNFJS-ZDUSSCGKSA-N 0 3 292.379 2.104 10 70 CEIEHN CCC[C@H](C(=O)N1CCc2ccccc2C1)N(C)C ZINC000161133928 367061063 /nfs/dbraw/zinc/06/10/63/367061063.db2.gz AXGFRAVVCHJGKG-OAHLLOKOSA-N 0 3 260.381 2.302 10 70 CEIEHN CCC[C@@H](C(=O)NCc1cccc(F)c1)N(C)C ZINC000161476551 367089497 /nfs/dbraw/zinc/08/94/97/367089497.db2.gz NNIZHMSUCOSJMJ-ZDUSSCGKSA-N 0 3 252.333 2.172 10 70 CEIEHN Cc1cc2ncc([C@H](C)N[C@H]3CCC[C@@H](O)C3)c(C)n2n1 ZINC000217622840 539226858 /nfs/dbraw/zinc/22/68/58/539226858.db2.gz RSYUSMFWWSSQSA-FPMFFAJLSA-N 0 3 288.395 2.300 10 70 CEIEHN CC[C@](C)(O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000161434129 367086340 /nfs/dbraw/zinc/08/63/40/367086340.db2.gz VJJVFUCZDUCFNS-KBXCAEBGSA-N 0 3 269.410 2.017 10 70 CEIEHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CCCO1 ZINC000160121121 297433492 /nfs/dbraw/zinc/43/34/92/297433492.db2.gz WZJHENPAEOHIBE-IUODEOHRSA-N 0 3 276.380 2.046 10 70 CEIEHN C[C@@H]1OCC[C@H]1NCc1cncc(Br)c1 ZINC000160592151 367020443 /nfs/dbraw/zinc/02/04/43/367020443.db2.gz DJFBXFRDAGJMSP-GZMMTYOYSA-N 0 3 271.158 2.111 10 70 CEIEHN NC1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000160260597 295202396 /nfs/dbraw/zinc/20/23/96/295202396.db2.gz MGFJJGXSPVKOGH-CHWSQXEVSA-N 0 3 250.386 2.297 10 70 CEIEHN CCn1cnnc1[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000161352393 232254442 /nfs/dbraw/zinc/25/44/42/232254442.db2.gz KJLQOEUZBBAPTG-LBPRGKRZSA-N 0 3 291.424 2.443 10 70 CEIEHN CS[C@@H](C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000159644363 366935210 /nfs/dbraw/zinc/93/52/10/366935210.db2.gz RMLSHBGGQDMXBO-NWDGAFQWSA-N 0 3 275.462 2.013 10 70 CEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000160310898 366992924 /nfs/dbraw/zinc/99/29/24/366992924.db2.gz VDMBECLTXQJJSV-CQSZACIVSA-N 0 3 296.436 2.085 10 70 CEIEHN CCC[C@@H](C(=O)N(C)CCOc1ccccc1)N(C)C ZINC000161213344 367068105 /nfs/dbraw/zinc/06/81/05/367068105.db2.gz OSCNRQXBAABANF-HNNXBMFYSA-N 0 3 278.396 2.254 10 70 CEIEHN CCC[C@H](C(=O)N(C)Cc1ccc(C)o1)N(C)C ZINC000161221631 276281101 /nfs/dbraw/zinc/28/11/01/276281101.db2.gz YYHCGDXPGJHBRS-CYBMUJFWSA-N 0 3 252.358 2.277 10 70 CEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000161352273 232254010 /nfs/dbraw/zinc/25/40/10/232254010.db2.gz KJLQOEUZBBAPTG-GFCCVEGCSA-N 0 3 291.424 2.443 10 70 CEIEHN CCN1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159734751 366945302 /nfs/dbraw/zinc/94/53/02/366945302.db2.gz SAGIBXNUUMSTFX-AWEZNQCLSA-N 0 3 279.428 2.350 10 70 CEIEHN CCC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)C ZINC000161142165 367060980 /nfs/dbraw/zinc/06/09/80/367060980.db2.gz YVZVVAJAXLHOKO-MRXNPFEDSA-N 0 3 289.423 2.066 10 70 CEIEHN CCC[C@H](C(=O)NCCCc1ccccc1)N(C)C ZINC000161185166 367065332 /nfs/dbraw/zinc/06/53/32/367065332.db2.gz LOPKZAVUTCOJKM-OAHLLOKOSA-N 0 3 262.397 2.466 10 70 CEIEHN CC(C)N1C[C@H](NC(=O)c2cccc(Cl)n2)[C@@H](C)C1 ZINC000161252571 367071963 /nfs/dbraw/zinc/07/19/63/367071963.db2.gz PPIHKPKMXWKBPT-JQWIXIFHSA-N 0 3 281.787 2.194 10 70 CEIEHN CCC[C@@H](C(=O)NCCOc1cccc(C)c1)N(C)C ZINC000161265867 367073266 /nfs/dbraw/zinc/07/32/66/367073266.db2.gz VUSIXAOPXKHXSM-HNNXBMFYSA-N 0 3 278.396 2.220 10 70 CEIEHN CCC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)N(C)C ZINC000161204177 283785631 /nfs/dbraw/zinc/78/56/31/283785631.db2.gz HVPMYPQJHWKUMZ-CVEARBPZSA-N 0 3 291.439 2.136 10 70 CEIEHN CCC[C@H](C(=O)NCc1ccc(C)c(F)c1)N(C)C ZINC000161345693 367080054 /nfs/dbraw/zinc/08/00/54/367080054.db2.gz CDIWLGOMZWOLSO-CQSZACIVSA-N 0 3 266.360 2.481 10 70 CEIEHN CS[C@@H](C)CC(=O)N[C@H](CC(C)C)CN(C)C ZINC000161174598 367063292 /nfs/dbraw/zinc/06/32/92/367063292.db2.gz GOUUIZWEYSPQKL-NWDGAFQWSA-N 0 3 260.447 2.221 10 70 CEIEHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H]1CCCO1 ZINC000160120992 297433803 /nfs/dbraw/zinc/43/38/03/297433803.db2.gz WZJHENPAEOHIBE-SWLSCSKDSA-N 0 3 276.380 2.046 10 70 CEIEHN CCn1cnnc1[C@@H]1CCCN(CCc2ccncc2)C1 ZINC000161414401 523598911 /nfs/dbraw/zinc/59/89/11/523598911.db2.gz CBRJUPWQTPUHES-OAHLLOKOSA-N 0 3 285.395 2.115 10 70 CEIEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)C(C)(C)C ZINC000160863655 367039164 /nfs/dbraw/zinc/03/91/64/367039164.db2.gz AKPHQZFCBOXODD-HUUCEWRRSA-N 0 3 292.423 2.250 10 70 CEIEHN CCC[C@H](C(=O)NCCOc1cccc(C)c1)N(C)C ZINC000161265988 367073651 /nfs/dbraw/zinc/07/36/51/367073651.db2.gz VUSIXAOPXKHXSM-OAHLLOKOSA-N 0 3 278.396 2.220 10 70 CEIEHN Cc1ccccc1[C@@H](C)N[C@H]1CCc2ncnn2C1 ZINC000159603468 281356556 /nfs/dbraw/zinc/35/65/56/281356556.db2.gz PLHRMBXMANEEMG-OLZOCXBDSA-N 0 3 256.353 2.252 10 70 CEIEHN NC1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CCCCC1 ZINC000160260735 295202382 /nfs/dbraw/zinc/20/23/82/295202382.db2.gz MGFJJGXSPVKOGH-STQMWFEESA-N 0 3 250.386 2.297 10 70 CEIEHN