smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)nc(C(F)(F)N2CCC3(CCCc4ccccc43)CC2)nc1C(F)(F)F ZINC001164389002 718814021 /nfs/dbraw/zinc/81/40/21/718814021.db2.gz SIHCLRQQALUHCS-UHFFFAOYSA-N 0 0 456.846 5.440 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c(Cl)nn2)cc1 ZINC001164621666 719129496 /nfs/dbraw/zinc/12/94/96/719129496.db2.gz NDHWCJDHKOKOSJ-UHFFFAOYSA-N 0 0 480.906 5.110 20 30 JKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645240 719287100 /nfs/dbraw/zinc/28/71/00/719287100.db2.gz DXDCKSNUTGSXEZ-COLVAYQJSA-N 0 0 457.333 5.105 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164648053 719291052 /nfs/dbraw/zinc/29/10/52/719291052.db2.gz UFZUXQWQPYZXMM-ORYQWCPZSA-N 0 0 499.974 5.514 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164649489 719291144 /nfs/dbraw/zinc/29/11/44/719291144.db2.gz XCCIEVGOENGMHK-NDXORKPFSA-N 0 0 499.974 5.514 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164650340 719291326 /nfs/dbraw/zinc/29/13/26/719291326.db2.gz ZFWPSFURKDGCOB-HSQYWUDLSA-N 0 0 498.986 6.119 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)cnc2Cl)c1 ZINC001164653056 719296123 /nfs/dbraw/zinc/29/61/23/719296123.db2.gz NVELUJKYXSNSRZ-VXNXHJTFSA-N 0 0 496.945 5.167 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)cnc2Cl)c1 ZINC001164653053 719296138 /nfs/dbraw/zinc/29/61/38/719296138.db2.gz NVELUJKYXSNSRZ-HJOGWXRNSA-N 0 0 496.945 5.167 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)c(Cl)nn2)c1 ZINC001164659407 719344585 /nfs/dbraw/zinc/34/45/85/719344585.db2.gz CGKBMPROTSGAEE-ZLNRFVROSA-N 0 0 488.966 5.157 20 30 JKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)[C@H]2CC ZINC001164704552 719821840 /nfs/dbraw/zinc/82/18/40/719821840.db2.gz ZJDFFUICWKSBIH-LAUBAEHRSA-N 0 0 469.363 5.408 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)[C@@H]2CC ZINC001164704002 719822921 /nfs/dbraw/zinc/82/29/21/719822921.db2.gz WVGZUTOOQWZODZ-XXBNENTESA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(c1nc(CN(CC)CC)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164701528 719823444 /nfs/dbraw/zinc/82/34/44/719823444.db2.gz PNXGHKABHBVTRI-FNZWTVRRSA-N 0 0 469.699 5.076 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@@H]2CC ZINC001164701008 719823814 /nfs/dbraw/zinc/82/38/14/719823814.db2.gz NQKOFYFLQZHPTJ-OFNKIYASSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)[C@H]2CC ZINC001164701005 719823862 /nfs/dbraw/zinc/82/38/62/719823862.db2.gz NQKOFYFLQZHPTJ-NZQKXSOJSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)[C@@H]2CC ZINC001164700220 719823875 /nfs/dbraw/zinc/82/38/75/719823875.db2.gz JSBDJKABZNWOBZ-OFNKIYASSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)[C@H]2CC ZINC001164704470 719823912 /nfs/dbraw/zinc/82/39/12/719823912.db2.gz YCADTOJZUYZXAC-REWPJTCUSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@@H]2CC ZINC001164697914 719824232 /nfs/dbraw/zinc/82/42/32/719824232.db2.gz BRMJEWUBXDYFQR-OFNKIYASSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)[C@H]2CC ZINC001164697916 719824264 /nfs/dbraw/zinc/82/42/64/719824264.db2.gz BRMJEWUBXDYFQR-REWPJTCUSA-N 0 0 460.956 5.268 20 30 JKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)[C@@H]2CC ZINC001164698026 719824556 /nfs/dbraw/zinc/82/45/56/719824556.db2.gz CSIKEVUYJIFZIB-NFBKMPQASA-N 0 0 478.946 5.407 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)[C@@H]2CC ZINC001164698512 719824651 /nfs/dbraw/zinc/82/46/51/719824651.db2.gz DAZAZWCSYDQADH-OFNKIYASSA-N 0 0 478.946 5.407 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@H]2CC ZINC001164699168 719824695 /nfs/dbraw/zinc/82/46/95/719824695.db2.gz GSAKRSRQLKRYSG-URXFXBBRSA-N 0 0 485.966 5.140 20 30 JKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)[C@H]2CC ZINC001164698513 719824748 /nfs/dbraw/zinc/82/47/48/719824748.db2.gz DAZAZWCSYDQADH-REWPJTCUSA-N 0 0 478.946 5.407 20 30 JKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(-c3cccc(OC)c3)nnc1Cl)[C@@H]2CC ZINC001164697173 719824768 /nfs/dbraw/zinc/82/47/68/719824768.db2.gz ALCDNGMINXQWAJ-ZJSXRUAMSA-N 0 0 490.982 5.277 20 30 JKEDRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c(-c4ccc(C#N)cc4)c2)CC3)cn1 ZINC001164700075 719827596 /nfs/dbraw/zinc/82/75/96/719827596.db2.gz ZZXNGMARKNGJRB-LJQANCHMSA-N 0 0 483.950 5.095 20 30 JKEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)O2)n1 ZINC001164830486 720412467 /nfs/dbraw/zinc/41/24/67/720412467.db2.gz REZMSAQMFUDIDV-ZCNNSNEGSA-N 0 0 471.895 5.009 20 30 JKEDRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)O2)n1 ZINC001164827567 720412613 /nfs/dbraw/zinc/41/26/13/720412613.db2.gz GAWYVJXPMBSXEE-ZCNNSNEGSA-N 0 0 471.895 5.009 20 30 JKEDRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)O2)n1 ZINC001164830463 720412933 /nfs/dbraw/zinc/41/29/33/720412933.db2.gz QZGVNCOURKNWJF-ULQDDVLXSA-N 0 0 480.302 5.149 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732098 720487229 /nfs/dbraw/zinc/48/72/29/720487229.db2.gz YQCODCRBBYVJEE-XZOQPEGZSA-N 0 0 465.935 5.067 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@]4(C[C@@H](c5ccccc5)CO4)C3)c(Cl)nn2)c1 ZINC001164767495 721062048 /nfs/dbraw/zinc/06/20/48/721062048.db2.gz HKDOEXRDDNPJLQ-BWKNWUBXSA-N 0 0 480.946 5.757 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@H]43)cnc2Cl)c1 ZINC001164879319 721253450 /nfs/dbraw/zinc/25/34/50/721253450.db2.gz XZIUWIJXUIBTQD-JRFVFWCSSA-N 0 0 496.945 5.419 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@@H](COc5cccnc5)CC[C@@H]43)cnc2Cl)cc1 ZINC001164875088 721253591 /nfs/dbraw/zinc/25/35/91/721253591.db2.gz LVRDOQNWKWTLGH-NHTMILBNSA-N 0 0 496.945 5.419 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4O[C@H](COc5cccnc5)CC[C@@H]43)cnc2Cl)cc1 ZINC001164875091 721253617 /nfs/dbraw/zinc/25/36/17/721253617.db2.gz LVRDOQNWKWTLGH-XWGVYQGASA-N 0 0 496.945 5.419 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)cnc2Cl)c1 ZINC001164877808 721316074 /nfs/dbraw/zinc/31/60/74/721316074.db2.gz LGBMNYLBEXMSFP-OFAXGOBFSA-N 0 0 496.945 5.276 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)cnc2Cl)c1 ZINC001164883668 721360822 /nfs/dbraw/zinc/36/08/22/721360822.db2.gz REKNKZHVMDKAPE-UXHICEINSA-N 0 0 470.932 5.264 20 30 JKEDRN N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164786637 721437200 /nfs/dbraw/zinc/43/72/00/721437200.db2.gz PEGBYKLYWJPXGA-DNQXCXABSA-N 0 0 463.610 5.312 20 30 JKEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CC2 ZINC001164781315 721446391 /nfs/dbraw/zinc/44/63/91/721446391.db2.gz FKTVAFNDJWBUGG-UHFFFAOYSA-N 0 0 453.320 5.085 20 30 JKEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164783470 721447774 /nfs/dbraw/zinc/44/77/74/721447774.db2.gz BXJATKRRDSJUBG-UHFFFAOYSA-N 0 0 495.961 5.494 20 30 JKEDRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@@H]21 ZINC001164887015 721468630 /nfs/dbraw/zinc/46/86/30/721468630.db2.gz AYFQQXPUOROQEY-UGSOOPFHSA-N 0 0 467.347 5.041 20 30 JKEDRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)C3)c1 ZINC001164804274 721600490 /nfs/dbraw/zinc/60/04/90/721600490.db2.gz YCAQNESBNCGUAS-HRAATJIYSA-N 0 0 467.347 5.332 20 30 JKEDRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001165007677 721728534 /nfs/dbraw/zinc/72/85/34/721728534.db2.gz GKJYSGLKVUJVJC-QHCPKHFHSA-N 0 0 458.940 5.046 20 30 JKEDRN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c12 ZINC001164911835 721766262 /nfs/dbraw/zinc/76/62/62/721766262.db2.gz SOKOAEPLLQRXKU-UHFFFAOYSA-N 0 0 475.955 5.390 20 30 JKEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)C2 ZINC001164910821 721766407 /nfs/dbraw/zinc/76/64/07/721766407.db2.gz LLORKFAWRQVAOD-UHFFFAOYSA-N 0 0 478.383 5.596 20 30 JKEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2 ZINC001164911388 721766655 /nfs/dbraw/zinc/76/66/55/721766655.db2.gz OPQAMZJGANZJPI-UHFFFAOYSA-N 0 0 461.928 5.082 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)cnc2Cl)cc1 ZINC001165017160 721773762 /nfs/dbraw/zinc/77/37/62/721773762.db2.gz QXTJKZOTXWESBI-RXVVDRJESA-N 0 0 482.918 5.153 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)cnc2Cl)cc1 ZINC001164915804 721808431 /nfs/dbraw/zinc/80/84/31/721808431.db2.gz CHFMVPOBMFGSFG-URXFXBBRSA-N 0 0 482.918 5.030 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)cnc2Cl)c1 ZINC001164984981 722092046 /nfs/dbraw/zinc/09/20/46/722092046.db2.gz YJGRXWPRGMHFHU-OAQYLSRUSA-N 0 0 499.005 5.731 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c(Cl)nn2)c1 ZINC001164982446 722092048 /nfs/dbraw/zinc/09/20/48/722092048.db2.gz RFQYYXGCHMCJRV-HXUWFJFHSA-N 0 0 499.993 5.126 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)cnc2Cl)cc1 ZINC001164975398 722092068 /nfs/dbraw/zinc/09/20/68/722092068.db2.gz GBOALRQWADNBPY-NRFANRHFSA-N 0 0 499.005 5.731 20 30 JKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164978334 722163613 /nfs/dbraw/zinc/16/36/13/722163613.db2.gz HIZUGLZRSWXMEE-QRWLVFNGSA-N 0 0 460.352 5.140 20 30 JKEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCO2 ZINC001164977343 722167311 /nfs/dbraw/zinc/16/73/11/722167311.db2.gz MLFUUPITJQGGCN-VLIAUNLRSA-N 0 0 458.336 5.060 20 30 JKEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCO2 ZINC001164977025 722167458 /nfs/dbraw/zinc/16/74/58/722167458.db2.gz MLFUUPITJQGGCN-JLTOFOAXSA-N 0 0 458.336 5.060 20 30 JKEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CCO2 ZINC001164980485 722170001 /nfs/dbraw/zinc/17/00/01/722170001.db2.gz YMYLCBJKPDCYTN-OPAMFIHVSA-N 0 0 467.919 5.059 20 30 JKEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CCO2 ZINC001164978576 722170152 /nfs/dbraw/zinc/17/01/52/722170152.db2.gz QXDRJCFUTIQPGI-YKSBVNFPSA-N 0 0 473.951 5.397 20 30 JKEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164978096 722170917 /nfs/dbraw/zinc/17/09/17/722170917.db2.gz PLQCRDMBAGWNSW-QHAWAJNXSA-N 0 0 487.934 5.030 20 30 JKEDRN N#Cc1c(Cl)nc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc1C(F)(F)F ZINC001164975578 722171741 /nfs/dbraw/zinc/17/17/41/722171741.db2.gz IDNNOQGUUNUWFW-IKGGRYGDSA-N 0 0 484.856 5.267 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)cnc2Cl)cc1 ZINC001164985371 722172996 /nfs/dbraw/zinc/17/29/96/722172996.db2.gz HEJQGHRVDXWKAD-UHFFFAOYSA-N 0 0 457.952 5.994 20 30 JKEDRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001164991873 722189283 /nfs/dbraw/zinc/18/92/83/722189283.db2.gz SJXSXJGGNJBDBQ-UHFFFAOYSA-N 0 0 482.918 5.252 20 30 JKEDRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001164991313 722189315 /nfs/dbraw/zinc/18/93/15/722189315.db2.gz PADKAMQFRJFLOJ-UHFFFAOYSA-N 0 0 482.918 5.252 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(=O)c5ccc(F)cc54)CC3)cnc2Cl)c1 ZINC001164423341 718939585 /nfs/dbraw/zinc/93/95/85/718939585.db2.gz HYROHBSTHVFNFV-UHFFFAOYSA-N 0 0 481.905 6.082 20 30 JKEDRN N#Cc1ccc(C(F)(F)N2CCC(O[C@H](c3ccc(Cl)cc3)c3ccccn3)CC2)nc1Cl ZINC001164622532 719129873 /nfs/dbraw/zinc/12/98/73/719129873.db2.gz PFCLBQVOPJLZGL-JOCHJYFZSA-N 0 0 489.353 5.975 20 30 JKEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164619192 719130397 /nfs/dbraw/zinc/13/03/97/719130397.db2.gz CVIIAXBBQOKAGZ-QHCPKHFHSA-N 0 0 489.353 5.975 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164648057 719291163 /nfs/dbraw/zinc/29/11/63/719291163.db2.gz UFZUXQWQPYZXMM-ZLGUVYLKSA-N 0 0 499.974 5.514 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164650344 719291233 /nfs/dbraw/zinc/29/12/33/719291233.db2.gz ZFWPSFURKDGCOB-WTOYTKOKSA-N 0 0 498.986 6.119 20 30 JKEDRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2 ZINC001164649172 719311879 /nfs/dbraw/zinc/31/18/79/719311879.db2.gz OXEIFMZQZNYUCU-UHFFFAOYSA-N 0 0 456.619 5.237 20 30 JKEDRN 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C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164873091 721244382 /nfs/dbraw/zinc/24/43/82/721244382.db2.gz GJZZPKCKSHEAKG-ZDUSSCGKSA-N 0 0 492.357 5.662 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)cnc2Cl)c1 ZINC001164883670 721360649 /nfs/dbraw/zinc/36/06/49/721360649.db2.gz REKNKZHVMDKAPE-VQTJNVASSA-N 0 0 470.932 5.264 20 30 JKEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CC2 ZINC001164785230 721446909 /nfs/dbraw/zinc/44/69/09/721446909.db2.gz HOHSSAWHWVVKRD-UHFFFAOYSA-N 0 0 462.903 5.085 20 30 JKEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)CC2 ZINC001164790442 721446951 /nfs/dbraw/zinc/44/69/51/721446951.db2.gz ZBVZKYRMJVLSGP-UHFFFAOYSA-N 0 0 462.903 5.085 20 30 JKEDRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)CC[C@H]21 ZINC001164887013 721468438 /nfs/dbraw/zinc/46/84/38/721468438.db2.gz AYFQQXPUOROQEY-FZKQIMNGSA-N 0 0 467.347 5.041 20 30 JKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CCC[C@@H](OCC5CC5)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164895212 721499881 /nfs/dbraw/zinc/49/98/81/721499881.db2.gz AUFQBUKUGAWFKE-NNMXDRDESA-N 0 0 458.940 5.245 20 30 JKEDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)[C@H]2CCCO[C@@H]12 ZINC001164809252 721558634 /nfs/dbraw/zinc/55/86/34/721558634.db2.gz WFFSYGNWNFXGCW-BFLUCZKCSA-N 0 0 481.625 5.098 20 30 JKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)cc2c1Cl ZINC001164801635 721600292 /nfs/dbraw/zinc/60/02/92/721600292.db2.gz PHFMORHWKBDJRE-UHFFFAOYSA-N 0 0 478.330 5.101 20 30 JKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)cc2c1Cl ZINC001165016328 721773979 /nfs/dbraw/zinc/77/39/79/721773979.db2.gz PAOSHLMFNCWSTD-SCLBCKFNSA-N 0 0 491.325 5.292 20 30 JKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N(Cc3cccnc3)Cc3ccccn3)cc2c1Cl ZINC001165037690 721882013 /nfs/dbraw/zinc/88/20/13/721882013.db2.gz QYRIXJRKGVTTIB-UHFFFAOYSA-N 0 0 470.310 5.955 20 30 JKEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165051113 721989057 /nfs/dbraw/zinc/98/90/57/721989057.db2.gz OICCOKKPNDEAMO-UHFFFAOYSA-N 0 0 476.936 5.322 20 30 JKEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCO2 ZINC001164974259 722167643 /nfs/dbraw/zinc/16/76/43/722167643.db2.gz DYPLBGHWZHFCEJ-QRWLVFNGSA-N 0 0 458.336 5.060 20 30 JKEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CCO2 ZINC001164976067 722168242 /nfs/dbraw/zinc/16/82/42/722168242.db2.gz JMFBPQLMHVZEKU-YWZLYKJASA-N 0 0 458.336 5.060 20 30 JKEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CCO2 ZINC001164978593 722169942 /nfs/dbraw/zinc/16/99/42/722169942.db2.gz QZNNYCBVOWVBLE-JTSKRJEESA-N 0 0 467.919 5.059 20 30 JKEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CCO2 ZINC001164980487 722170009 /nfs/dbraw/zinc/17/00/09/722170009.db2.gz YMYLCBJKPDCYTN-ZHRRBRCNSA-N 0 0 467.919 5.059 20 30 JKEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CCO2 ZINC001164978148 722170115 /nfs/dbraw/zinc/17/01/15/722170115.db2.gz QXDRJCFUTIQPGI-RDPSFJRHSA-N 0 0 473.951 5.397 20 30 JKEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164978094 722171141 /nfs/dbraw/zinc/17/11/41/722171141.db2.gz PLQCRDMBAGWNSW-NJYVYQBISA-N 0 0 487.934 5.030 20 30 JKEDRN N#Cc1c(Cl)nc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc1C(F)(F)F ZINC001164975580 722171995 /nfs/dbraw/zinc/17/19/95/722171995.db2.gz IDNNOQGUUNUWFW-IXDOHACOSA-N 0 0 484.856 5.267 20 30 JKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)c(Cl)nn2)c1 ZINC001164988393 722173002 /nfs/dbraw/zinc/17/30/02/722173002.db2.gz QLTHEXYJSMBDQF-UHFFFAOYSA-N 0 0 458.940 5.389 20 30 JKEDRN