smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2nc(C)cc(Cl)c2C)CC3)cs1 ZINC001164694526 719809838 /nfs/dbraw/zinc/80/98/38/719809838.db2.gz ZODSFQOVTVOEJO-UHFFFAOYSA-N 0 1 390.984 4.752 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@H]2C ZINC001164858561 720918309 /nfs/dbraw/zinc/91/83/09/720918309.db2.gz ODRPUOJWPMMZLT-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@@H]2C ZINC001164860627 720966003 /nfs/dbraw/zinc/96/60/03/720966003.db2.gz QOEOQMYOVZNPCA-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCN(C2CCCC2)CC1 ZINC001165033131 721862586 /nfs/dbraw/zinc/86/25/86/721862586.db2.gz CUKISCBIGWBPQA-UHFFFAOYSA-N 0 1 381.854 4.605 20 0 GJADMN c1ccc(-c2cc(N3CCN(CCc4ccccn4)CC3)nc3ccccc32)cc1 ZINC001165054786 722017208 /nfs/dbraw/zinc/01/72/08/722017208.db2.gz CGEYDCGQOGOHLF-UHFFFAOYSA-N 0 1 394.522 4.662 20 0 GJADMN Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000071968663 205299900 /nfs/dbraw/zinc/29/99/00/205299900.db2.gz FYFQWWXKOMGBSV-UHFFFAOYSA-N 0 1 375.516 4.911 20 0 GJADMN Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2n1 ZINC001164724787 720474121 /nfs/dbraw/zinc/47/41/21/720474121.db2.gz HIHWZBCLCZVHNZ-QZTJIDSGSA-N 0 1 399.325 4.790 20 0 GJADMN Clc1ccc2ccc(Cl)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2n1 ZINC001164724789 720474189 /nfs/dbraw/zinc/47/41/89/720474189.db2.gz HIHWZBCLCZVHNZ-ZWKOTPCHSA-N 0 1 399.325 4.790 20 0 GJADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc2c(Cl)cccc12 ZINC001164861960 720985241 /nfs/dbraw/zinc/98/52/41/720985241.db2.gz RYAYRRRBNOQBOT-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1cccc2cc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12 ZINC001164860352 721016390 /nfs/dbraw/zinc/01/63/90/721016390.db2.gz LMVVCTAMYQUJKS-MRXNPFEDSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C)cc(Cl)c4C)CC3)C2)cc1 ZINC001164939354 721927507 /nfs/dbraw/zinc/92/75/07/721927507.db2.gz JRTIHAILFQGQID-UHFFFAOYSA-N 0 1 399.966 4.532 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995638 722199887 /nfs/dbraw/zinc/19/98/87/722199887.db2.gz WIFPWHSWPWGZAC-UXHICEINSA-N 0 1 377.866 4.583 20 0 GJADMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000018699296 210219332 /nfs/dbraw/zinc/21/93/32/210219332.db2.gz ZICWNSHELVDVPK-UHFFFAOYSA-N 0 1 385.920 4.559 20 0 GJADMN COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000004252203 206215045 /nfs/dbraw/zinc/21/50/45/206215045.db2.gz FQXZHJDGJPEIBF-SECBINFHSA-N 0 1 396.299 4.998 20 0 GJADMN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000109527692 211446453 /nfs/dbraw/zinc/44/64/53/211446453.db2.gz XPAPKUDXVYQQHR-UHFFFAOYSA-N 0 1 399.947 4.633 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ncc(Cl)cc2Cl)CC3)cs1 ZINC001164691825 719803751 /nfs/dbraw/zinc/80/37/51/719803751.db2.gz KOZKZPMRKRQMFC-UHFFFAOYSA-N 0 1 397.375 4.788 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@H]2C ZINC001164860623 720967196 /nfs/dbraw/zinc/96/71/96/720967196.db2.gz QOEOQMYOVZNPCA-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(C(C)(C)C)cn4)CC3)C2)cc1 ZINC001164939851 721933804 /nfs/dbraw/zinc/93/38/04/721933804.db2.gz BNPGFJKVRVBQCT-UHFFFAOYSA-N 0 1 393.575 4.559 20 0 GJADMN c1ccc(CN2CCc3nc(N4CCCC[C@@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047586 721963026 /nfs/dbraw/zinc/96/30/26/721963026.db2.gz VLEIWOBLCSAZOV-XMMPIXPASA-N 0 1 384.527 4.767 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997284 722201709 /nfs/dbraw/zinc/20/17/09/722201709.db2.gz YLEBQBUSQYRQDV-QFIPXVFZSA-N 0 1 396.897 4.667 20 0 GJADMN O=c1nc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)[n-]c2ccsc21 ZINC000057315282 205157174 /nfs/dbraw/zinc/15/71/74/205157174.db2.gz SMVPSLCHLOOOLK-UHFFFAOYSA-N 0 1 375.497 4.642 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2nc4ccccc4cc2C)CC3)cs1 ZINC001164692241 719805994 /nfs/dbraw/zinc/80/59/94/719805994.db2.gz MCTMHYNZAKVMTP-UHFFFAOYSA-N 0 1 392.572 4.943 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2c(Cl)ccnc2Cl)CC3)cs1 ZINC001164694513 719807982 /nfs/dbraw/zinc/80/79/82/719807982.db2.gz ZEWJLJUETGIAIW-UHFFFAOYSA-N 0 1 397.375 4.788 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@H]2C ZINC001164858633 720949099 /nfs/dbraw/zinc/94/90/99/720949099.db2.gz JRTQFMHAFMZXAN-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@H]2C ZINC001164857960 720958422 /nfs/dbraw/zinc/95/84/22/720958422.db2.gz IMGRZAZXIIBYAZ-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164858970 720973017 /nfs/dbraw/zinc/97/30/17/720973017.db2.gz JPPFKTBBUWPZRV-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1c(Cl)ccc2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc21 ZINC001164860527 720989515 /nfs/dbraw/zinc/98/95/15/720989515.db2.gz OMODHBCGLWBIOJ-MRXNPFEDSA-N 0 1 397.954 4.815 20 0 GJADMN CC(C)c1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc(C(C)(C)C)n1 ZINC001164857967 721010232 /nfs/dbraw/zinc/01/02/32/721010232.db2.gz DRRVNCRQZCFNTD-QGZVFWFLSA-N 0 1 398.599 4.515 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164694413 719803990 /nfs/dbraw/zinc/80/39/90/719803990.db2.gz YMBRDQKAZCYPIM-UHFFFAOYSA-N 0 1 397.375 4.788 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2cc4ccccc4cn2)CC3)cs1 ZINC001164691038 719805537 /nfs/dbraw/zinc/80/55/37/719805537.db2.gz DGOLMGXEELHUQB-UHFFFAOYSA-N 0 1 378.545 4.635 20 0 GJADMN Cc1cc2c(ccnc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)o1 ZINC001164691541 719814752 /nfs/dbraw/zinc/81/47/52/719814752.db2.gz GRCCBBIJMFLIPL-UHFFFAOYSA-N 0 1 382.533 4.536 20 0 GJADMN CCOc1cc(CNCc2ccccc2OC)ccc1OCc1ccccc1 ZINC000013720342 210085208 /nfs/dbraw/zinc/08/52/08/210085208.db2.gz ODCLFKVKNSXESB-UHFFFAOYSA-N 0 1 377.484 4.963 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@@H]2C ZINC001164859359 720951902 /nfs/dbraw/zinc/95/19/02/720951902.db2.gz MZYVGOCHNFCWOX-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(Cl)cc(Cl)n2)C3)c1 ZINC001164994142 722191621 /nfs/dbraw/zinc/19/16/21/722191621.db2.gz KPQWLLMYNOREMS-IBGZPJMESA-N 0 1 380.294 4.772 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ncc4cc(Cl)ccc4n2)C3)c1 ZINC001164996657 722201806 /nfs/dbraw/zinc/20/18/06/722201806.db2.gz UWWZHKLHRYWUBJ-QFIPXVFZSA-N 0 1 396.897 4.667 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997207 722207160 /nfs/dbraw/zinc/20/71/60/722207160.db2.gz XBXOICJJIHKPIV-DEOSSOPVSA-N 0 1 388.490 4.528 20 0 GJADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc2ccccc2[nH]1 ZINC000047917745 205113200 /nfs/dbraw/zinc/11/32/00/205113200.db2.gz VGINSXRLEVYSAK-UHFFFAOYSA-N 0 1 379.423 4.872 20 0 GJADMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000051315653 205132470 /nfs/dbraw/zinc/13/24/70/205132470.db2.gz WKEUFTHJEIEATM-UHFFFAOYSA-N 0 1 375.453 4.970 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ccc4cc(C)ccc4n2)CC3)cs1 ZINC001164691468 719803377 /nfs/dbraw/zinc/80/33/77/719803377.db2.gz HQEODCPKKQSNQL-UHFFFAOYSA-N 0 1 392.572 4.943 20 0 GJADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc2cc(Cl)ccc12 ZINC001164863530 720976720 /nfs/dbraw/zinc/97/67/20/720976720.db2.gz WBCONEYAGARUNR-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995641 722199700 /nfs/dbraw/zinc/19/97/00/722199700.db2.gz WIFPWHSWPWGZAC-WOJBJXKFSA-N 0 1 377.866 4.583 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-c4cccs4)ncn2)C3)c1 ZINC001164996245 722209251 /nfs/dbraw/zinc/20/92/51/722209251.db2.gz SCVCNURUMJPLDX-JOCHJYFZSA-N 0 1 394.519 4.589 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3sccc31)[C@@H]2C ZINC001164862428 720947865 /nfs/dbraw/zinc/94/78/65/720947865.db2.gz VMSUPJBWMCPNCL-CYBMUJFWSA-N 0 1 389.956 4.568 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@@H]2C ZINC001164858636 720948509 /nfs/dbraw/zinc/94/85/09/720948509.db2.gz JRTQFMHAFMZXAN-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@@H]2C ZINC001164857961 720957485 /nfs/dbraw/zinc/95/74/85/720957485.db2.gz IMGRZAZXIIBYAZ-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN Cc1ccc2cc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164864130 720979583 /nfs/dbraw/zinc/97/95/83/720979583.db2.gz XQUKOPXWKKDUKX-MRXNPFEDSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1cccc2cc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164860351 721016822 /nfs/dbraw/zinc/01/68/22/721016822.db2.gz LMVVCTAMYQUJKS-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164979715 722166292 /nfs/dbraw/zinc/16/62/92/722166292.db2.gz VTQAHXXMRLUPNE-KNQAVFIVSA-N 0 1 392.971 4.800 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996324 722202865 /nfs/dbraw/zinc/20/28/65/722202865.db2.gz TXUUTHRYHPLZLJ-OAQYLSRUSA-N 0 1 384.886 4.552 20 0 GJADMN CSc1cc(Cl)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995995 722206640 /nfs/dbraw/zinc/20/66/40/722206640.db2.gz RFUYIWXNDVQJQB-FQEVSTJZSA-N 0 1 391.943 4.841 20 0 GJADMN CC(C)c1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)cc(C(C)(C)C)n1 ZINC001164857966 721011146 /nfs/dbraw/zinc/01/11/46/721011146.db2.gz DRRVNCRQZCFNTD-KRWDZBQOSA-N 0 1 398.599 4.515 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cnc4c(Cl)cccc4n2)C3)c1 ZINC001164995656 722197325 /nfs/dbraw/zinc/19/73/25/722197325.db2.gz WQEPGJTUNSPXGC-JOCHJYFZSA-N 0 1 396.897 4.667 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ccc4cccc(C)c4n2)CC3)cs1 ZINC001164691435 719803200 /nfs/dbraw/zinc/80/32/00/719803200.db2.gz GSOPULBOMHLAEZ-UHFFFAOYSA-N 0 1 392.572 4.943 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc(C)c2C)CC3)cs1 ZINC001164691990 719809586 /nfs/dbraw/zinc/80/95/86/719809586.db2.gz DQQYCOUONASHPR-UHFFFAOYSA-N 0 1 390.984 4.752 20 0 GJADMN CSc1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c(C)c1 ZINC001164691590 719812450 /nfs/dbraw/zinc/81/24/50/719812450.db2.gz ICXBNNNWEYLJQA-UHFFFAOYSA-N 0 1 388.606 4.512 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(Cl)cccc3n1)[C@@H]2C ZINC001164863430 720957615 /nfs/dbraw/zinc/95/76/15/720957615.db2.gz ZYASZMYUUVOEKO-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995639 722199587 /nfs/dbraw/zinc/19/95/87/722199587.db2.gz WIFPWHSWPWGZAC-VQTJNVASSA-N 0 1 377.866 4.583 20 0 GJADMN CC(C)(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000005678083 206217202 /nfs/dbraw/zinc/21/72/02/206217202.db2.gz VHBYQYOXCRVOII-UHFFFAOYSA-N 0 1 384.480 4.639 20 0 GJADMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)[nH]c2c1 ZINC000007096390 206220137 /nfs/dbraw/zinc/22/01/37/206220137.db2.gz YWSVVWQDMBOSDO-NSHDSACASA-N 0 1 375.881 4.653 20 0 GJADMN CCCOc1c(Br)cc(CNCc2ccc(F)cc2)cc1OC ZINC000020932906 570288266 /nfs/dbraw/zinc/28/82/66/570288266.db2.gz JJKGOAMTECYJID-UHFFFAOYSA-N 0 1 382.273 4.675 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@H]2C ZINC001164859356 720951246 /nfs/dbraw/zinc/95/12/46/720951246.db2.gz MZYVGOCHNFCWOX-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN CC(C)(c1ccnc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016407 721767934 /nfs/dbraw/zinc/76/79/34/721767934.db2.gz WQIWLOPCVWARFJ-UHFFFAOYSA-N 0 1 392.890 4.977 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cnc4cccc(Cl)c4n2)C3)c1 ZINC001164994288 722195669 /nfs/dbraw/zinc/19/56/69/722195669.db2.gz MOUWANBRSGAZBE-QFIPXVFZSA-N 0 1 396.897 4.667 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997283 722201734 /nfs/dbraw/zinc/20/17/34/722201734.db2.gz YLEBQBUSQYRQDV-JOCHJYFZSA-N 0 1 396.897 4.667 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997208 722207051 /nfs/dbraw/zinc/20/70/51/722207051.db2.gz XBXOICJJIHKPIV-XMMPIXPASA-N 0 1 388.490 4.528 20 0 GJADMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016002823 210181615 /nfs/dbraw/zinc/18/16/15/210181615.db2.gz VNXYBEFDGKOHBN-UHFFFAOYSA-N 0 1 398.721 4.651 20 0 GJADMN CCCOc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1OCC ZINC000020931959 204747731 /nfs/dbraw/zinc/74/77/31/204747731.db2.gz WUQUEZACLWCVCN-UHFFFAOYSA-N 0 1 377.868 4.546 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@H]2C ZINC001164858597 720948171 /nfs/dbraw/zinc/94/81/71/720948171.db2.gz JKXPYNXMMDLJBN-ZDUSSCGKSA-N 0 1 389.956 4.568 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@@H]2C ZINC001164858595 720949622 /nfs/dbraw/zinc/94/96/22/720949622.db2.gz JKXPYNXMMDLJBN-CYBMUJFWSA-N 0 1 389.956 4.568 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc(Cl)cc3n1)[C@H]2C ZINC001164858045 720976651 /nfs/dbraw/zinc/97/66/51/720976651.db2.gz GOXTXJBXOVJWOJ-HNNXBMFYSA-N 0 1 383.927 4.506 20 0 GJADMN CC(C)(c1ccnc(Cl)c1)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001164778714 721315916 /nfs/dbraw/zinc/31/59/16/721315916.db2.gz QPPJECRKEFVSOZ-UHFFFAOYSA-N 0 1 396.897 4.667 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996323 722203088 /nfs/dbraw/zinc/20/30/88/722203088.db2.gz TXUUTHRYHPLZLJ-NRFANRHFSA-N 0 1 384.886 4.552 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4cccs4)nn2)C3)c1 ZINC001164997333 722203446 /nfs/dbraw/zinc/20/34/46/722203446.db2.gz ZPIXHSDTFWCPNY-JOCHJYFZSA-N 0 1 394.519 4.589 20 0 GJADMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cs1 ZINC000007726298 206221493 /nfs/dbraw/zinc/22/14/93/206221493.db2.gz PMHCCPSSQUYNFX-UHFFFAOYSA-N 0 1 398.431 4.938 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ccc4cc(F)ccc4n2)CC3)cs1 ZINC001164694392 719807884 /nfs/dbraw/zinc/80/78/84/719807884.db2.gz WVQQPEOZGQDWAO-UHFFFAOYSA-N 0 1 396.535 4.774 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ncc(F)c4ccccc42)CC3)cs1 ZINC001164692787 719809098 /nfs/dbraw/zinc/80/90/98/719809098.db2.gz MNPJNQNFUXOFOJ-UHFFFAOYSA-N 0 1 396.535 4.774 20 0 GJADMN Cc1ccc2cc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164864129 720979406 /nfs/dbraw/zinc/97/94/06/720979406.db2.gz XQUKOPXWKKDUKX-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164858007 720983254 /nfs/dbraw/zinc/98/32/54/720983254.db2.gz GDTMRCFRKFYBOY-MRXNPFEDSA-N 0 1 397.954 4.815 20 0 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CSc1cc(Cl)ncc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994649 722197800 /nfs/dbraw/zinc/19/78/00/722197800.db2.gz OUEBSDKWUQIEKU-FQEVSTJZSA-N 0 1 391.943 4.841 20 0 GJADMN CCOc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000071977703 222201563 /nfs/dbraw/zinc/20/15/63/222201563.db2.gz PMLIWRUEUYAQLA-UHFFFAOYSA-N 0 1 379.787 4.558 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2ccc4ccccc4n2)CC3)cs1 ZINC001164691235 719803472 /nfs/dbraw/zinc/80/34/72/719803472.db2.gz GHEQYXKWIQOOSX-UHFFFAOYSA-N 0 1 378.545 4.635 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2nccc4ccsc42)CC3)cs1 ZINC001164694429 719806453 /nfs/dbraw/zinc/80/64/53/719806453.db2.gz XNWSGJKCXMWWIO-UHFFFAOYSA-N 0 1 384.574 4.696 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2nccc4ccc(F)cc42)CC3)cs1 ZINC001164694529 719809161 /nfs/dbraw/zinc/80/91/61/719809161.db2.gz ZRDKNHLSBUEMST-UHFFFAOYSA-N 0 1 396.535 4.774 20 0 GJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@@H]2C ZINC001164858562 720919000 /nfs/dbraw/zinc/91/90/00/720919000.db2.gz ODRPUOJWPMMZLT-OAHLLOKOSA-N 0 1 383.927 4.506 20 0 GJADMN Cc1ccc2nc(Cl)cc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164856984 720946524 /nfs/dbraw/zinc/94/65/24/720946524.db2.gz DPMYWDJGIYQXNN-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164858972 720971519 /nfs/dbraw/zinc/97/15/19/720971519.db2.gz JPPFKTBBUWPZRV-MRXNPFEDSA-N 0 1 397.954 4.815 20 0 GJADMN Cc1nc(CN2CCCC23CCN(c2nc(C)c(Cl)cc2C)CC3)cs1 ZINC001164691535 719811416 /nfs/dbraw/zinc/81/14/16/719811416.db2.gz GJTMBCLYGBDHTA-UHFFFAOYSA-N 0 1 390.984 4.752 20 0 GJADMN Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164858005 720983482 /nfs/dbraw/zinc/98/34/82/720983482.db2.gz GDTMRCFRKFYBOY-INIZCTEOSA-N 0 1 397.954 4.815 20 0 GJADMN c1ccc(CN2CCc3nc(N4CCCC[C@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047583 721962963 /nfs/dbraw/zinc/96/29/63/721962963.db2.gz VLEIWOBLCSAZOV-DEOSSOPVSA-N 0 1 384.527 4.767 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccccc4)nn2)C3)c1 ZINC001164995649 722194747 /nfs/dbraw/zinc/19/47/47/722194747.db2.gz WOELTJPQQFYGCW-XMMPIXPASA-N 0 1 388.490 4.528 20 0 GJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cnc4cc(Cl)ccc4n2)C3)c1 ZINC001164995325 722197167 /nfs/dbraw/zinc/19/71/67/722197167.db2.gz UKKPFQLOKRUCQY-QFIPXVFZSA-N 0 1 396.897 4.667 20 0 GJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cnc4ccc(Cl)cc4n2)C3)c1 ZINC001164993917 722198451 /nfs/dbraw/zinc/19/84/51/722198451.db2.gz JHAHKYXJCRHNNR-JOCHJYFZSA-N 0 1 396.897 4.667 20 0 GJADMN CC(C)c1c(Cl)ncnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164998778 722211875 /nfs/dbraw/zinc/21/18/75/722211875.db2.gz XRHWCPHCITUDBT-OAQYLSRUSA-N 0 1 388.918 4.637 20 0 GJADMN F[C@@H](c1ccnc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015018 721767628 /nfs/dbraw/zinc/76/76/28/721767628.db2.gz LWDOZDICLWJUQT-HXUWFJFHSA-N 0 1 382.826 4.710 20 0 GJADMN