smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000040737347 205071870 /nfs/dbraw/zinc/07/18/70/205071870.db2.gz MHVAHQADFRMSIO-INIZCTEOSA-N 0 3 393.886 4.725 20 0 GJADHN O=C(Nc1cccc(CN2CCCC2)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412069 205157320 /nfs/dbraw/zinc/15/73/20/205157320.db2.gz NNSYKKFCGHLVQZ-UHFFFAOYSA-N 0 3 380.879 4.578 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995814 722194922 /nfs/dbraw/zinc/19/49/22/722194922.db2.gz YENVVVISRPNQCW-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994083 722207275 /nfs/dbraw/zinc/20/72/75/722207275.db2.gz FLEYWHOMFRINEQ-DEOSSOPVSA-N 0 3 388.490 4.528 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]21 ZINC001165006551 722245654 /nfs/dbraw/zinc/24/56/54/722245654.db2.gz ZPAZSQPMJLCIFG-LADGPHEKSA-N 0 3 390.575 4.514 20 0 GJADHN O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000095080059 211218215 /nfs/dbraw/zinc/21/82/15/211218215.db2.gz MIOHFLDFRBPMGJ-FQEVSTJZSA-N 0 3 392.312 4.576 20 0 GJADHN CCOc1cc(CN[C@H](CC)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736893 570610332 /nfs/dbraw/zinc/61/03/32/570610332.db2.gz SCARVHFYHMLUBS-OAHLLOKOSA-N 0 3 398.330 4.832 20 0 GJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731066 720366043 /nfs/dbraw/zinc/36/60/43/720366043.db2.gz YTINYZWCOSIUJQ-RTBURBONSA-N 0 3 399.325 4.790 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994872 722201211 /nfs/dbraw/zinc/20/12/11/722201211.db2.gz JAGAKPROJWDPHE-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN COc1ccc2cnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994116 722204916 /nfs/dbraw/zinc/20/49/16/722204916.db2.gz GCMXSRDSERNZLI-XMMPIXPASA-N 0 3 391.490 4.627 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994085 722207016 /nfs/dbraw/zinc/20/70/16/722207016.db2.gz FLEYWHOMFRINEQ-XMMPIXPASA-N 0 3 388.490 4.528 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]21 ZINC001165006552 722245549 /nfs/dbraw/zinc/24/55/49/722245549.db2.gz ZPAZSQPMJLCIFG-UPVQGACJSA-N 0 3 390.575 4.514 20 0 GJADHN CCOc1c(Br)cc(CNCc2ccccc2)cc1Br ZINC000010436506 570790612 /nfs/dbraw/zinc/79/06/12/570790612.db2.gz OGWQZLVKUXEYKH-UHFFFAOYSA-N 0 3 399.126 4.900 20 0 GJADHN Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164729008 720380307 /nfs/dbraw/zinc/38/03/07/720380307.db2.gz UQUOOMFTOUVIRQ-NHCUHLMSSA-N 0 3 390.918 4.650 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995241 722194442 /nfs/dbraw/zinc/19/44/42/722194442.db2.gz SVDPOZIFDBSENO-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993287 722195922 /nfs/dbraw/zinc/19/59/22/722195922.db2.gz FFPKOEKVGYPMGT-NRFANRHFSA-N 0 3 384.886 4.600 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21 ZINC001165006038 722245699 /nfs/dbraw/zinc/24/56/99/722245699.db2.gz WVHNZUHODUZXKF-VWNXMTODSA-N 0 3 390.575 4.516 20 0 GJADHN COc1c(Br)cc(CNCc2ccccc2)cc1Br ZINC000020927073 570288059 /nfs/dbraw/zinc/28/80/59/570288059.db2.gz KTTJFRQFGIRWLB-UHFFFAOYSA-N 0 3 385.099 4.510 20 0 GJADHN Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164729010 720379901 /nfs/dbraw/zinc/37/99/01/720379901.db2.gz UQUOOMFTOUVIRQ-RTWAWAEBSA-N 0 3 390.918 4.650 20 0 GJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@H]2C ZINC001164860034 720947935 /nfs/dbraw/zinc/94/79/35/720947935.db2.gz PHDKUTSNLDOJGQ-HNNXBMFYSA-N 0 3 383.927 4.506 20 0 GJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@@H]2C ZINC001164860037 720948403 /nfs/dbraw/zinc/94/84/03/720948403.db2.gz PHDKUTSNLDOJGQ-OAHLLOKOSA-N 0 3 383.927 4.506 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994679 722194226 /nfs/dbraw/zinc/19/42/26/722194226.db2.gz OZAFTJHYVYHSFR-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993616 722197827 /nfs/dbraw/zinc/19/78/27/722197827.db2.gz FOQRRBDCJYUSQT-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995803 722199038 /nfs/dbraw/zinc/19/90/38/722199038.db2.gz YBXPNBITMDPLNU-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN CN(C)Cc1ccnc(N2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)c1 ZINC001164888386 721453979 /nfs/dbraw/zinc/45/39/79/721453979.db2.gz LUXQEDUUTLYMLY-UHFFFAOYSA-N 0 3 387.527 4.888 20 0 GJADHN Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ncccc3CN3CCCC3)C2)c1 ZINC001165048747 721980150 /nfs/dbraw/zinc/98/01/50/721980150.db2.gz GEWSPVQLFQDFPQ-LJQANCHMSA-N 0 3 385.939 4.687 20 0 GJADHN COc1ccc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164996621 722205763 /nfs/dbraw/zinc/20/57/63/722205763.db2.gz UNNRDQGWAHPWDD-DEOSSOPVSA-N 0 3 391.490 4.627 20 0 GJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028646999 209243328 /nfs/dbraw/zinc/24/33/28/209243328.db2.gz YIDSTCHPVRDJTD-UHFFFAOYSA-N 0 3 392.330 4.534 20 0 GJADHN CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736890 205071460 /nfs/dbraw/zinc/07/14/60/205071460.db2.gz SCARVHFYHMLUBS-HNNXBMFYSA-N 0 3 398.330 4.832 20 0 GJADHN COc1c(Br)cc(CNCc2cccs2)cc1Br ZINC000020927197 210370464 /nfs/dbraw/zinc/37/04/64/210370464.db2.gz VAGGMIPDZUCWMZ-UHFFFAOYSA-N 0 3 391.128 4.572 20 0 GJADHN Cc1nc(CN2CCCC23CCN(c2nccc4ccc(C)cc42)CC3)cs1 ZINC001164693948 719808359 /nfs/dbraw/zinc/80/83/59/719808359.db2.gz SOVUUNVYBRQRJY-UHFFFAOYSA-N 0 3 392.572 4.943 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994301 722194180 /nfs/dbraw/zinc/19/41/80/722194180.db2.gz MVCSZHKFHIYJNY-DEOSSOPVSA-N 0 3 388.490 4.528 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995805 722199315 /nfs/dbraw/zinc/19/93/15/722199315.db2.gz YBXPNBITMDPLNU-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996311 722208612 /nfs/dbraw/zinc/20/86/12/722208612.db2.gz TUPSYPYYHLSWHT-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN Cc1cc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994809 722212414 /nfs/dbraw/zinc/21/24/14/722212414.db2.gz DORZRFSHXJZFDR-DEOSSOPVSA-N 0 3 390.506 4.631 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]21 ZINC001165006031 722245806 /nfs/dbraw/zinc/24/58/06/722245806.db2.gz WVHNZUHODUZXKF-ISKFKSNPSA-N 0 3 390.575 4.516 20 0 GJADHN CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000072114227 211070285 /nfs/dbraw/zinc/07/02/85/211070285.db2.gz SKRJUTMVRJHHAY-UHFFFAOYSA-N 0 3 396.550 4.912 20 0 GJADHN OC1(c2ccc(Br)cc2)CCN(Cc2coc3ccccc23)CC1 ZINC000053226379 210870780 /nfs/dbraw/zinc/87/07/80/210870780.db2.gz MBYOOAKPAWQCID-UHFFFAOYSA-N 0 3 386.289 4.679 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993615 722197960 /nfs/dbraw/zinc/19/79/60/722197960.db2.gz FOQRRBDCJYUSQT-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994475 722200684 /nfs/dbraw/zinc/20/06/84/722200684.db2.gz HULQRYJTHUGTGW-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN COc1ccc2cnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994114 722205429 /nfs/dbraw/zinc/20/54/29/722205429.db2.gz GCMXSRDSERNZLI-DEOSSOPVSA-N 0 3 391.490 4.627 20 0 GJADHN Cc1cc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994811 722212134 /nfs/dbraw/zinc/21/21/34/722212134.db2.gz DORZRFSHXJZFDR-XMMPIXPASA-N 0 3 390.506 4.631 20 0 GJADHN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804052 721601905 /nfs/dbraw/zinc/60/19/05/721601905.db2.gz WOCCOPVRFYQYFN-NFBKMPQASA-N 0 3 399.966 4.992 20 0 GJADHN Cc1ccc(Cl)c(O[C@H]2CCCN(c3ncccc3CN3CCCC3)C2)c1 ZINC001165048745 721979808 /nfs/dbraw/zinc/97/98/08/721979808.db2.gz GEWSPVQLFQDFPQ-IBGZPJMESA-N 0 3 385.939 4.687 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993258 722198367 /nfs/dbraw/zinc/19/83/67/722198367.db2.gz DOOLUEVUHSNJSK-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725843 720379677 /nfs/dbraw/zinc/37/96/77/720379677.db2.gz NTQPYZBWZIHMBM-RTWAWAEBSA-N 0 3 390.918 4.650 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995812 722195280 /nfs/dbraw/zinc/19/52/80/722195280.db2.gz YENVVVISRPNQCW-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995919 722200898 /nfs/dbraw/zinc/20/08/98/722200898.db2.gz PWSGZZPEZGXOAR-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN CCCN(CCC(=O)Nc1cc(C)on1)[C@H](C)c1ccccc1Br ZINC000071954053 205299586 /nfs/dbraw/zinc/29/95/86/205299586.db2.gz JZWIZJVPMRCCCW-CQSZACIVSA-N 0 3 394.313 4.547 20 0 GJADHN Fc1ccc(OC2CCN(c3ccc(CN4CCCC4)cn3)CC2)c(Cl)c1 ZINC001165033575 721880352 /nfs/dbraw/zinc/88/03/52/721880352.db2.gz SKWIEPHNXCIMBS-UHFFFAOYSA-N 0 3 389.902 4.518 20 0 GJADHN Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(CN4CCCC4)cn3)C2)c1 ZINC001165050243 721979854 /nfs/dbraw/zinc/97/98/54/721979854.db2.gz RQODZNXMGIAQDH-LJQANCHMSA-N 0 3 385.939 4.687 20 0 GJADHN Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(CN(C)C4CC4)cn3)C2)c1 ZINC001165049894 721979858 /nfs/dbraw/zinc/97/98/58/721979858.db2.gz NTEFNNWWAQUIMT-IBGZPJMESA-N 0 3 385.939 4.685 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995905 722201081 /nfs/dbraw/zinc/20/10/81/722201081.db2.gz PSDJKTXDMBKOBC-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997306 722202695 /nfs/dbraw/zinc/20/26/95/722202695.db2.gz YYZHNVZNSUKGFH-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN COc1ccc2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164996624 722206249 /nfs/dbraw/zinc/20/62/49/722206249.db2.gz UNNRDQGWAHPWDD-XMMPIXPASA-N 0 3 391.490 4.627 20 0 GJADHN CCc1nc2sccc2c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994365 722211343 /nfs/dbraw/zinc/21/13/43/722211343.db2.gz BEJVMKUDUADEDQ-JOCHJYFZSA-N 0 3 396.535 4.638 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995974 722205987 /nfs/dbraw/zinc/20/59/87/722205987.db2.gz QVXMAFSXXRYMLQ-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]21 ZINC001165006554 722245736 /nfs/dbraw/zinc/24/57/36/722245736.db2.gz ZPAZSQPMJLCIFG-VWNXMTODSA-N 0 3 390.575 4.514 20 0 GJADHN CCCOc1c(Br)cc(Br)cc1CNCC(C)C ZINC000020929717 570288408 /nfs/dbraw/zinc/28/84/08/570288408.db2.gz BJXDYLALIHDMCO-UHFFFAOYSA-N 0 3 379.136 4.746 20 0 GJADHN Cc1nc(CN2CCCC23CCN(c2nccc4ccccc42)CC3)cs1 ZINC001164694333 719804429 /nfs/dbraw/zinc/80/44/29/719804429.db2.gz XDXRNVLIDNGQOG-UHFFFAOYSA-N 0 3 378.545 4.635 20 0 GJADHN c1ccc2sc(C3CCN(c4ccc(CN5CCCC5)cn4)CC3)nc2c1 ZINC001165050669 721989252 /nfs/dbraw/zinc/98/92/52/721989252.db2.gz IDGBGUJDCGQFCZ-UHFFFAOYSA-N 0 3 378.545 4.671 20 0 GJADHN c1ccc2sc(C3CCN(c4ncccc4CN4CCCC4)CC3)nc2c1 ZINC001165050286 721989304 /nfs/dbraw/zinc/98/93/04/721989304.db2.gz ACLNFCXTZGSWPN-UHFFFAOYSA-N 0 3 378.545 4.671 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994676 722194577 /nfs/dbraw/zinc/19/45/77/722194577.db2.gz OZAFTJHYVYHSFR-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994228 722198618 /nfs/dbraw/zinc/19/86/18/722198618.db2.gz LWGOBOFMZTUQHN-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN CCc1cc2c(ncnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)s1 ZINC001164993674 722199203 /nfs/dbraw/zinc/19/92/03/722199203.db2.gz HFWTYMQAHFBSLS-QFIPXVFZSA-N 0 3 396.535 4.638 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21 ZINC001165006036 722245866 /nfs/dbraw/zinc/24/58/66/722245866.db2.gz WVHNZUHODUZXKF-UPVQGACJSA-N 0 3 390.575 4.516 20 0 GJADHN CCCOc1c(Br)cc(CNCc2ccccc2)cc1OCC ZINC000020932238 210370746 /nfs/dbraw/zinc/37/07/46/210370746.db2.gz MMDRFPZFTXFODI-UHFFFAOYSA-N 0 3 378.310 4.926 20 0 GJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731064 720365870 /nfs/dbraw/zinc/36/58/70/720365870.db2.gz YTINYZWCOSIUJQ-OALUTQOASA-N 0 3 399.325 4.790 20 0 GJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164725838 720380289 /nfs/dbraw/zinc/38/02/89/720380289.db2.gz NTQPYZBWZIHMBM-LEWJYISDSA-N 0 3 390.918 4.650 20 0 GJADHN COc1ccc2c(ccnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164993260 722195773 /nfs/dbraw/zinc/19/57/73/722195773.db2.gz DQADGXBZJZCSFC-XMMPIXPASA-N 0 3 391.490 4.627 20 0 GJADHN CCCCNCc1cc(Br)cc(Br)c1OCCC ZINC000020929624 210371597 /nfs/dbraw/zinc/37/15/97/210371597.db2.gz CHGZLCBLJOBVLK-UHFFFAOYSA-N 0 3 379.136 4.890 20 0 GJADHN Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164729006 720381004 /nfs/dbraw/zinc/38/10/04/720381004.db2.gz UQUOOMFTOUVIRQ-LEWJYISDSA-N 0 3 390.918 4.650 20 0 GJADHN Cc1nc(CN2CCCC23CCN(c2nc(C)cc4ccccc42)CC3)cs1 ZINC001164691556 719811493 /nfs/dbraw/zinc/81/14/93/719811493.db2.gz HBLLILBMVKQNPR-UHFFFAOYSA-N 0 3 392.572 4.943 20 0 GJADHN Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)ccc12 ZINC001164723669 720474324 /nfs/dbraw/zinc/47/43/24/720474324.db2.gz DBRZKVBMBORQDD-OALUTQOASA-N 0 3 399.325 4.790 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992842 722197067 /nfs/dbraw/zinc/19/70/67/722197067.db2.gz BDUVLVVTPNZBFQ-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN O=C(Nc1cccc(CN2CCCC2)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000029164569 207358617 /nfs/dbraw/zinc/35/86/17/207358617.db2.gz LRAMTDNWLOLGBQ-UHFFFAOYSA-N 0 3 380.879 4.578 20 0 GJADHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000040737350 570610243 /nfs/dbraw/zinc/61/02/43/570610243.db2.gz MHVAHQADFRMSIO-MRXNPFEDSA-N 0 3 393.886 4.725 20 0 GJADHN COc1ccc2c(ccnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164993259 722195641 /nfs/dbraw/zinc/19/56/41/722195641.db2.gz DQADGXBZJZCSFC-DEOSSOPVSA-N 0 3 391.490 4.627 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997266 722209075 /nfs/dbraw/zinc/20/90/75/722209075.db2.gz XWWLNXKOILKZJW-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN OC1(c2ccc(Br)cc2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000033598827 207461575 /nfs/dbraw/zinc/46/15/75/207461575.db2.gz GRGMUZDLZOQJFY-UHFFFAOYSA-N 0 3 386.289 4.679 20 0 GJADHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000040736866 570610225 /nfs/dbraw/zinc/61/02/25/570610225.db2.gz IHNORKJAVXMFEM-UHFFFAOYSA-N 0 3 398.330 4.832 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995243 722194235 /nfs/dbraw/zinc/19/42/35/722194235.db2.gz SVDPOZIFDBSENO-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN CCc1cc2c(ncnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)s1 ZINC001164993673 722199235 /nfs/dbraw/zinc/19/92/35/722199235.db2.gz HFWTYMQAHFBSLS-JOCHJYFZSA-N 0 3 396.535 4.638 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997232 722203874 /nfs/dbraw/zinc/20/38/74/722203874.db2.gz XJOIIXRBKMCOJM-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997265 722208920 /nfs/dbraw/zinc/20/89/20/722208920.db2.gz XWWLNXKOILKZJW-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN C[C@@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)nc1 ZINC000359979406 212128836 /nfs/dbraw/zinc/12/88/36/212128836.db2.gz SIBWFVGUFIZKGY-MRXNPFEDSA-N 0 3 396.922 4.705 20 0 GJADHN CCc1ccc(NC(=S)Nc2ccc(C(=O)OCCN(CC)CC)cc2)cc1 ZINC000013749705 570784510 /nfs/dbraw/zinc/78/45/10/570784510.db2.gz ZSMNGGXBRASJSN-UHFFFAOYSA-N 0 3 399.560 4.557 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995973 722206038 /nfs/dbraw/zinc/20/60/38/722206038.db2.gz QVXMAFSXXRYMLQ-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN COc1c(Br)cc(CNCc2ccc(C)cc2)cc1Br ZINC000020927371 570288205 /nfs/dbraw/zinc/28/82/05/570288205.db2.gz VCMZFSHCGBAQHA-UHFFFAOYSA-N 0 3 399.126 4.818 20 0 GJADHN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804053 721601854 /nfs/dbraw/zinc/60/18/54/721601854.db2.gz WOCCOPVRFYQYFN-NZQKXSOJSA-N 0 3 399.966 4.992 20 0 GJADHN Cc1sc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164992803 722193650 /nfs/dbraw/zinc/19/36/50/722193650.db2.gz AZDZGAUWVAJDGY-JOCHJYFZSA-N 0 3 396.535 4.692 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994303 722194536 /nfs/dbraw/zinc/19/45/36/722194536.db2.gz MVCSZHKFHIYJNY-XMMPIXPASA-N 0 3 388.490 4.528 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]21 ZINC001165006550 722245830 /nfs/dbraw/zinc/24/58/30/722245830.db2.gz ZPAZSQPMJLCIFG-ISKFKSNPSA-N 0 3 390.575 4.514 20 0 GJADHN CCCN(CCC(=O)Nc1cc(C)on1)[C@@H](C)c1ccccc1Br ZINC000071954052 222200333 /nfs/dbraw/zinc/20/03/33/222200333.db2.gz JZWIZJVPMRCCCW-AWEZNQCLSA-N 0 3 394.313 4.547 20 0 GJADHN CCCOc1c(Br)cc(CNCc2ccc(OC)cc2)cc1OC ZINC000020932980 570288167 /nfs/dbraw/zinc/28/81/67/570288167.db2.gz LSTHIGJCFMMADQ-UHFFFAOYSA-N 0 3 394.309 4.545 20 0 GJADHN CCCOc1c(Br)cc(CNCc2ccc(C)cc2)cc1OC ZINC000020932974 570288186 /nfs/dbraw/zinc/28/81/86/570288186.db2.gz OLVFGZLQTKWFTM-UHFFFAOYSA-N 0 3 378.310 4.845 20 0 GJADHN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804055 721601895 /nfs/dbraw/zinc/60/18/95/721601895.db2.gz WOCCOPVRFYQYFN-REWPJTCUSA-N 0 3 399.966 4.992 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993288 722195552 /nfs/dbraw/zinc/19/55/52/722195552.db2.gz FFPKOEKVGYPMGT-OAQYLSRUSA-N 0 3 384.886 4.600 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@@H]21 ZINC001165002386 722245572 /nfs/dbraw/zinc/24/55/72/722245572.db2.gz CKIOACRMLSJZEI-UPVQGACJSA-N 0 3 390.575 4.516 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ncccc3CN3CCCC3)CC[C@@H]21 ZINC001165002387 722245710 /nfs/dbraw/zinc/24/57/10/722245710.db2.gz CKIOACRMLSJZEI-VWNXMTODSA-N 0 3 390.575 4.516 20 0 GJADHN c1c2ccccc2oc1-c1nnc(S[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000240407361 209018349 /nfs/dbraw/zinc/01/83/49/209018349.db2.gz FLQICDBDJUFMNY-KRWDZBQOSA-N 0 3 377.469 4.849 20 0 GJADHN c1c2ccccc2oc1-c1nnc(S[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000240407362 570684923 /nfs/dbraw/zinc/68/49/23/570684923.db2.gz FLQICDBDJUFMNY-QGZVFWFLSA-N 0 3 377.469 4.849 20 0 GJADHN Cc1nc(CN2CCCC23CCN(c2nccc4c(C)cccc42)CC3)cs1 ZINC001164691955 719809287 /nfs/dbraw/zinc/80/92/87/719809287.db2.gz BOVQHVCKKFLIMU-UHFFFAOYSA-N 0 3 392.572 4.943 20 0 GJADHN Cc1nc(CN2CCCC23CCN(c2nccc4cccc(C)c42)CC3)cs1 ZINC001164693483 719815307 /nfs/dbraw/zinc/81/53/07/719815307.db2.gz VJEDPHZQVOHFES-UHFFFAOYSA-N 0 3 392.572 4.943 20 0 GJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731063 720365711 /nfs/dbraw/zinc/36/57/11/720365711.db2.gz YTINYZWCOSIUJQ-MOPGFXCFSA-N 0 3 399.325 4.790 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997234 722203432 /nfs/dbraw/zinc/20/34/32/722203432.db2.gz XJOIIXRBKMCOJM-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995024 722206648 /nfs/dbraw/zinc/20/66/48/722206648.db2.gz KLDVKHPKMJUEQK-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1ccc(OC2CCN(c3ncccc3CN3CCCC3)CC2)c(Cl)c1 ZINC001165033923 721880219 /nfs/dbraw/zinc/88/02/19/721880219.db2.gz YZLJPGFLDQNAJF-UHFFFAOYSA-N 0 3 389.902 4.518 20 0 GJADHN Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(CN4CCCC4)cn3)C2)c1 ZINC001165050242 721979783 /nfs/dbraw/zinc/97/97/83/721979783.db2.gz RQODZNXMGIAQDH-IBGZPJMESA-N 0 3 385.939 4.687 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995570 722195597 /nfs/dbraw/zinc/19/55/97/722195597.db2.gz VMVNPSSWLAKJNB-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993257 722198229 /nfs/dbraw/zinc/19/82/29/722198229.db2.gz DOOLUEVUHSNJSK-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4s3)c(C)c2)CC1 ZINC000022068015 207245802 /nfs/dbraw/zinc/24/58/02/207245802.db2.gz VDHKQFSKOKRYKZ-UHFFFAOYSA-N 0 3 379.529 4.604 20 0 GJADHN CCOc1cc(CNCCOC)ccc1OCc1c(Cl)cccc1Cl ZINC000040736971 208112388 /nfs/dbraw/zinc/11/23/88/208112388.db2.gz LLVAMRYJJNNDSV-UHFFFAOYSA-N 0 3 384.303 4.707 20 0 GJADHN COc1ccc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990183 221295977 /nfs/dbraw/zinc/29/59/77/221295977.db2.gz YWQGQGAMNIMBFO-UHFFFAOYSA-N 0 3 398.510 4.725 20 0 GJADHN Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164729012 720380836 /nfs/dbraw/zinc/38/08/36/720380836.db2.gz UQUOOMFTOUVIRQ-SFTDATJTSA-N 0 3 390.918 4.650 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994230 722198222 /nfs/dbraw/zinc/19/82/22/722198222.db2.gz LWGOBOFMZTUQHN-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN CCc1nc2sccc2c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994366 722211438 /nfs/dbraw/zinc/21/14/38/722211438.db2.gz BEJVMKUDUADEDQ-QFIPXVFZSA-N 0 3 396.535 4.638 20 0 GJADHN CC(C)[C@@H](NCc1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000026312484 207311991 /nfs/dbraw/zinc/31/19/91/207311991.db2.gz SRZRUZYBHGELMW-LJQANCHMSA-N 0 3 376.294 4.707 20 0 GJADHN O[C@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000095080060 208152892 /nfs/dbraw/zinc/15/28/92/208152892.db2.gz MIOHFLDFRBPMGJ-HXUWFJFHSA-N 0 3 392.312 4.576 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]21 ZINC001165002385 722245661 /nfs/dbraw/zinc/24/56/61/722245661.db2.gz CKIOACRMLSJZEI-LADGPHEKSA-N 0 3 390.575 4.516 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994875 722201178 /nfs/dbraw/zinc/20/11/78/722201178.db2.gz JAGAKPROJWDPHE-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996914 722211554 /nfs/dbraw/zinc/21/15/54/722211554.db2.gz OKIXTDWDZPERAZ-XMMPIXPASA-N 0 3 395.522 4.535 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996913 722211585 /nfs/dbraw/zinc/21/15/85/722211585.db2.gz OKIXTDWDZPERAZ-DEOSSOPVSA-N 0 3 395.522 4.535 20 0 GJADHN COc1cc(Br)c(CN[C@@H](C)CCc2ccccc2)cc1OC ZINC000060814996 222061267 /nfs/dbraw/zinc/06/12/67/222061267.db2.gz AQHRAOPMGGLVIK-AWEZNQCLSA-N 0 3 378.310 4.577 20 0 GJADHN CCCOc1c(Br)cc(Br)cc1CN[C@@H](C)CC ZINC000020929723 570285303 /nfs/dbraw/zinc/28/53/03/570285303.db2.gz AILKPXSSQXKKFY-JTQLQIEISA-N 0 3 379.136 4.889 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995903 722200695 /nfs/dbraw/zinc/20/06/95/722200695.db2.gz PSDJKTXDMBKOBC-HSZRJFAPSA-N 0 3 379.454 4.758 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995920 722201317 /nfs/dbraw/zinc/20/13/17/722201317.db2.gz PWSGZZPEZGXOAR-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996313 722208281 /nfs/dbraw/zinc/20/82/81/722208281.db2.gz TUPSYPYYHLSWHT-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN COc1cccc2c1ccnc2N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164997188 722210301 /nfs/dbraw/zinc/21/03/01/722210301.db2.gz WTPJDNYRSCDWII-XMMPIXPASA-N 0 3 391.490 4.627 20 0 GJADHN Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)ccc12 ZINC001164723667 720474047 /nfs/dbraw/zinc/47/40/47/720474047.db2.gz DBRZKVBMBORQDD-MOPGFXCFSA-N 0 3 399.325 4.790 20 0 GJADHN CN(Cc1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1)C1CC1 ZINC001165032824 721880227 /nfs/dbraw/zinc/88/02/27/721880227.db2.gz FAOWCKZEBGTTDR-UHFFFAOYSA-N 0 3 389.902 4.516 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997305 722202889 /nfs/dbraw/zinc/20/28/89/722202889.db2.gz YYZHNVZNSUKGFH-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]21 ZINC001165006034 722245518 /nfs/dbraw/zinc/24/55/18/722245518.db2.gz WVHNZUHODUZXKF-LADGPHEKSA-N 0 3 390.575 4.516 20 0 GJADHN C[C@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(Cl)nc1 ZINC000359979405 206275636 /nfs/dbraw/zinc/27/56/36/206275636.db2.gz SIBWFVGUFIZKGY-INIZCTEOSA-N 0 3 396.922 4.705 20 0 GJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164725841 720381048 /nfs/dbraw/zinc/38/10/48/720381048.db2.gz NTQPYZBWZIHMBM-NHCUHLMSSA-N 0 3 390.918 4.650 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992844 722197349 /nfs/dbraw/zinc/19/73/49/722197349.db2.gz BDUVLVVTPNZBFQ-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994476 722200872 /nfs/dbraw/zinc/20/08/72/722200872.db2.gz HULQRYJTHUGTGW-QHCPKHFHSA-N 0 3 379.454 4.758 20 0 GJADHN COc1cccc2c1ccnc2N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164997186 722209947 /nfs/dbraw/zinc/20/99/47/722209947.db2.gz WTPJDNYRSCDWII-DEOSSOPVSA-N 0 3 391.490 4.627 20 0 GJADHN CC(C)CN1c2ccccc2[C@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]21 ZINC001165002384 722245848 /nfs/dbraw/zinc/24/58/48/722245848.db2.gz CKIOACRMLSJZEI-ISKFKSNPSA-N 0 3 390.575 4.516 20 0 GJADHN CCCOc1c(Br)cc(Br)cc1CN[C@H](C)CC ZINC000020929730 207221347 /nfs/dbraw/zinc/22/13/47/207221347.db2.gz AILKPXSSQXKKFY-SNVBAGLBSA-N 0 3 379.136 4.889 20 0 GJADHN CN(CCC(=O)Nc1ccccc1Cl)Cc1ccc(Br)cc1 ZINC000022194298 207247906 /nfs/dbraw/zinc/24/79/06/207247906.db2.gz NFEDDEFWQNKBOL-UHFFFAOYSA-N 0 3 381.701 4.563 20 0 GJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731065 720366482 /nfs/dbraw/zinc/36/64/82/720366482.db2.gz YTINYZWCOSIUJQ-RBUKOAKNSA-N 0 3 399.325 4.790 20 0 GJADHN Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)ccc12 ZINC001164723672 720473368 /nfs/dbraw/zinc/47/33/68/720473368.db2.gz DBRZKVBMBORQDD-RBUKOAKNSA-N 0 3 399.325 4.790 20 0 GJADHN Cc1sc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164992810 722193560 /nfs/dbraw/zinc/19/35/60/722193560.db2.gz AZDZGAUWVAJDGY-QFIPXVFZSA-N 0 3 396.535 4.692 20 0 GJADHN Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)ccc12 ZINC001164723674 720474164 /nfs/dbraw/zinc/47/41/64/720474164.db2.gz DBRZKVBMBORQDD-RTBURBONSA-N 0 3 399.325 4.790 20 0 GJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995573 722195715 /nfs/dbraw/zinc/19/57/15/722195715.db2.gz VMVNPSSWLAKJNB-QFIPXVFZSA-N 0 3 396.897 4.667 20 0 GJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995022 722206851 /nfs/dbraw/zinc/20/68/51/722206851.db2.gz KLDVKHPKMJUEQK-JOCHJYFZSA-N 0 3 396.897 4.667 20 0 GJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725846 720380682 /nfs/dbraw/zinc/38/06/82/720380682.db2.gz NTQPYZBWZIHMBM-SFTDATJTSA-N 0 3 390.918 4.650 20 0 GJADHN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804054 721601869 /nfs/dbraw/zinc/60/18/69/721601869.db2.gz WOCCOPVRFYQYFN-OFNKIYASSA-N 0 3 399.966 4.992 20 0 GJADHN Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(CN(C)C4CC4)cn3)C2)c1 ZINC001165049895 721979770 /nfs/dbraw/zinc/97/97/70/721979770.db2.gz NTEFNNWWAQUIMT-LJQANCHMSA-N 0 3 385.939 4.685 20 0 GJADHN