smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCC(C)CC2)c1C ZINC000001298429 569048771 /nfs/dbraw/zinc/04/87/71/569048771.db2.gz OFCOARSTFHNNCU-JOCHJYFZSA-N 0 3 424.635 6.500 40 0 HKABHN CCc1cc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298660 569048736 /nfs/dbraw/zinc/04/87/36/569048736.db2.gz XCGXGMICXDSFMX-UHFFFAOYSA-N 0 3 418.606 6.018 40 0 HKABHN CCCCC[C@@H](CN(C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573427 557273242 /nfs/dbraw/zinc/27/32/42/557273242.db2.gz BMJQGJIEPWCNSQ-JXFKEZNVSA-N 0 3 404.447 6.505 40 0 HKABHN CCCCC[C@H](CN(C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573428 557273236 /nfs/dbraw/zinc/27/32/36/557273236.db2.gz BMJQGJIEPWCNSQ-UZLBHIALSA-N 0 3 404.447 6.505 40 0 HKABHN CCCCC[C@@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573429 557273169 /nfs/dbraw/zinc/27/31/69/557273169.db2.gz BMJQGJIEPWCNSQ-OXJNMPFZSA-N 0 3 404.447 6.505 40 0 HKABHN CCCCC[C@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 ZINC000001573430 557273185 /nfs/dbraw/zinc/27/31/85/557273185.db2.gz BMJQGJIEPWCNSQ-OXQOHEQNSA-N 0 3 404.447 6.505 40 0 HKABHN c1ccc(C2=Cc3ccccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001610276 557276073 /nfs/dbraw/zinc/27/60/73/557276073.db2.gz DBHGMZQRJDUFGS-MUUNZHRXSA-N 0 3 411.545 6.226 40 0 HKABHN COc1ccc(/C(Cl)=C(/c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2)cc1 ZINC000001629222 557277426 /nfs/dbraw/zinc/27/74/26/557277426.db2.gz BJMAARQGPMBAAP-OCOZRVBESA-N 0 3 423.940 5.497 40 0 HKABHN CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000001630542 557277464 /nfs/dbraw/zinc/27/74/64/557277464.db2.gz IBFSIGFORJKEAJ-ZOSUSCCZSA-N 0 3 402.538 5.562 40 0 HKABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001664911 557279145 /nfs/dbraw/zinc/27/91/45/557279145.db2.gz DHPFYIOBTJODBX-UHFFFAOYSA-N 0 3 424.328 5.136 40 0 HKABHN O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)N1CCCCC1 ZINC000001671573 557279795 /nfs/dbraw/zinc/27/97/95/557279795.db2.gz GUZQFFCTFIRWPU-MYKRZTLLSA-N 0 3 424.588 5.792 40 0 HKABHN O[C@@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000001686978 557280751 /nfs/dbraw/zinc/28/07/51/557280751.db2.gz XQRAFDCEKRYLLH-QFIPXVFZSA-N 0 3 401.337 5.728 40 0 HKABHN CCN(CC)CCOC(=O)[C@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699498 557281367 /nfs/dbraw/zinc/28/13/67/557281367.db2.gz KBRRUVKSKDQSOP-CLJLJLNGSA-N 0 3 413.561 5.271 40 0 HKABHN CCN(CC)CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699499 557281390 /nfs/dbraw/zinc/28/13/90/557281390.db2.gz KBRRUVKSKDQSOP-FTJBHMTQSA-N 0 3 413.561 5.271 40 0 HKABHN CCN(CC)CCOC(=O)[C@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699500 557281438 /nfs/dbraw/zinc/28/14/38/557281438.db2.gz KBRRUVKSKDQSOP-IZZNHLLZSA-N 0 3 413.561 5.271 40 0 HKABHN CCN(CC)CCOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001699501 557281386 /nfs/dbraw/zinc/28/13/86/557281386.db2.gz KBRRUVKSKDQSOP-UIOOFZCWSA-N 0 3 413.561 5.271 40 0 HKABHN CCN(CC)CCOC(=O)C(O)(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1 ZINC000001710849 557282280 /nfs/dbraw/zinc/28/22/80/557282280.db2.gz ALYJRISEOMAKIF-UHFFFAOYSA-N 0 3 411.586 5.054 40 0 HKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCC2)c(C)c1 ZINC000001720218 569144976 /nfs/dbraw/zinc/14/49/76/569144976.db2.gz SMEZXTBXLFSIDO-SXOMAYOGSA-N 0 3 413.561 6.347 40 0 HKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCC2)c(C)c1 ZINC000001720219 569145016 /nfs/dbraw/zinc/14/50/16/569145016.db2.gz SMEZXTBXLFSIDO-KAYWLYCHSA-N 0 3 413.561 6.347 40 0 HKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCCC2)c(C)c1 ZINC000001720220 569145012 /nfs/dbraw/zinc/14/50/12/569145012.db2.gz SMEZXTBXLFSIDO-SVBPBHIXSA-N 0 3 413.561 6.347 40 0 HKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCCC2)c(C)c1 ZINC000001720221 569144971 /nfs/dbraw/zinc/14/49/71/569144971.db2.gz SMEZXTBXLFSIDO-RRPNLBNLSA-N 0 3 413.561 6.347 40 0 HKABHN CCN1CC[C@@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001726496 132247635 /nfs/dbraw/zinc/24/76/35/132247635.db2.gz NJAXYLBHGRUHJR-QFIPXVFZSA-N 0 3 402.991 5.691 40 0 HKABHN CN1CC[C@@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000001726504 536475530 /nfs/dbraw/zinc/47/55/30/536475530.db2.gz KPRFXTZPBHBLSP-RUZDIDTESA-N 0 3 424.610 5.733 40 0 HKABHN CCN(CC)Cc1cc(O)ccc1NCCCNc1ccnc2cc(Cl)ccc21 ZINC000001728955 557283217 /nfs/dbraw/zinc/28/32/17/557283217.db2.gz AMYCEDJOERJLHV-UHFFFAOYSA-N 0 3 412.965 5.350 40 0 HKABHN CN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000001744877 557284322 /nfs/dbraw/zinc/28/43/22/557284322.db2.gz PVLWQGZUFMCXRG-NSOVKSMOSA-N 0 3 423.556 5.157 40 0 HKABHN COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)N(C)C)cc1 ZINC000001758875 557285058 /nfs/dbraw/zinc/28/50/58/557285058.db2.gz DZUUHEOUVSUUCX-DFBJGRDBSA-N 0 3 403.522 5.062 40 0 HKABHN COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)N(C)C)cc1 ZINC000001758877 557285154 /nfs/dbraw/zinc/28/51/54/557285154.db2.gz DZUUHEOUVSUUCX-CLOONOSVSA-N 0 3 403.522 5.062 40 0 HKABHN COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)N(C)C)cc1 ZINC000001758878 557285096 /nfs/dbraw/zinc/28/50/96/557285096.db2.gz DZUUHEOUVSUUCX-UQBPGWFLSA-N 0 3 403.522 5.062 40 0 HKABHN COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)N(C)C)cc1 ZINC000001758879 557285139 /nfs/dbraw/zinc/28/51/39/557285139.db2.gz DZUUHEOUVSUUCX-KBMIEXCESA-N 0 3 403.522 5.062 40 0 HKABHN CCN(CC)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 ZINC000001758916 557285400 /nfs/dbraw/zinc/28/54/00/557285400.db2.gz CYNSIYBEXZZWRZ-UHFFFAOYSA-N 0 3 416.565 5.202 40 0 HKABHN CCN(CC)CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000001865349 557292943 /nfs/dbraw/zinc/29/29/43/557292943.db2.gz BDPLKKLOCYKGTN-UHFFFAOYSA-N 0 3 400.522 5.299 40 0 HKABHN c1ccc(C2=Cc3ccccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001905268 557295526 /nfs/dbraw/zinc/29/55/26/557295526.db2.gz DBHGMZQRJDUFGS-NDEPHWFRSA-N 0 3 411.545 6.226 40 0 HKABHN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000002098994 568932629 /nfs/dbraw/zinc/93/26/29/568932629.db2.gz XGYONAAGJOZHRO-KXCAJURRSA-N 0 3 407.554 5.172 40 0 HKABHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCCCC2)c1C ZINC000002546344 569166530 /nfs/dbraw/zinc/16/65/30/569166530.db2.gz RIBDKEJKPSIYMA-HSZRJFAPSA-N 0 3 404.579 6.193 40 0 HKABHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCCCC2)c1C ZINC000002546347 569166543 /nfs/dbraw/zinc/16/65/43/569166543.db2.gz RIBDKEJKPSIYMA-QHCPKHFHSA-N 0 3 404.579 6.193 40 0 HKABHN c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 ZINC000003802222 557498801 /nfs/dbraw/zinc/49/88/01/557498801.db2.gz BDNFQGRSKSQXRI-XMMPIXPASA-N 0 3 415.533 5.228 40 0 in-man HKABHN FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000003809445 557498727 /nfs/dbraw/zinc/49/87/27/557498727.db2.gz FCDRFVCGMLUYPG-ROUUACIJSA-N 0 3 403.366 5.734 40 0 in-vivo HKABHN CC[C@@H](c1ccccc1)[C@](O)(c1ccco1)c1ccc(OCCN2CCCC2)cc1 ZINC000003846964 557500519 /nfs/dbraw/zinc/50/05/19/557500519.db2.gz MMNKRZBIPYLJRJ-AHWVRZQESA-N 0 3 405.538 5.184 40 0 HKABHN CC[C@H](c1ccccc1)[C@](O)(c1ccco1)c1ccc(OCCN2CCCC2)cc1 ZINC000003846965 557500579 /nfs/dbraw/zinc/50/05/79/557500579.db2.gz MMNKRZBIPYLJRJ-RSXGOPAZSA-N 0 3 405.538 5.184 40 0 HKABHN CC[C@@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCCN2CCCC2)cc1 ZINC000003846966 557500631 /nfs/dbraw/zinc/50/06/31/557500631.db2.gz MMNKRZBIPYLJRJ-AZGAKELHSA-N 0 3 405.538 5.184 40 0 HKABHN CC[C@H](c1ccccc1)[C@@](O)(c1ccco1)c1ccc(OCCN2CCCC2)cc1 ZINC000003846967 557500528 /nfs/dbraw/zinc/50/05/28/557500528.db2.gz MMNKRZBIPYLJRJ-AOYPEHQESA-N 0 3 405.538 5.184 40 0 HKABHN COc1cccc2c(-c3c(O)cc(OC)c4c3C[C@H](C)N[C@H]4C)c(C)cc(OC)c12 ZINC000004098020 291294230 /nfs/dbraw/zinc/29/42/30/291294230.db2.gz XUFOYASAFNKRRE-GJZGRUSLSA-N 0 3 407.510 5.142 40 0 biogenic,in-vitro HKABHN CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]1CC2 ZINC000004256158 557532436 /nfs/dbraw/zinc/53/24/36/557532436.db2.gz ZRNVQJAGAFWHLN-SXOMAYOGSA-N 0 3 422.572 5.789 40 0 HKABHN Fc1ccc2c(c1)nc(C(F)(F)F)n2C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000004396796 557551799 /nfs/dbraw/zinc/55/17/99/557551799.db2.gz PIUNIBXYMLFNCP-UHFFFAOYSA-N 0 3 411.830 5.685 40 0 HKABHN O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@H]1CNc2ccccc2C1)N1CCCCC1 ZINC000004522743 557563367 /nfs/dbraw/zinc/56/33/67/557563367.db2.gz GUZQFFCTFIRWPU-PKXQUSJVSA-N 0 3 424.588 5.792 40 0 HKABHN O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@H]1CNc2ccccc2C1)N1CCCCC1 ZINC000004522744 557563358 /nfs/dbraw/zinc/56/33/58/557563358.db2.gz GUZQFFCTFIRWPU-KZQOYIJHSA-N 0 3 424.588 5.792 40 0 HKABHN O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)N1CCCCC1 ZINC000004522745 557563450 /nfs/dbraw/zinc/56/34/50/557563450.db2.gz GUZQFFCTFIRWPU-ITHJLQSDSA-N 0 3 424.588 5.792 40 0 HKABHN CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000004657410 557576857 /nfs/dbraw/zinc/57/68/57/557576857.db2.gz FQLRZWAWRXIZSK-UHFFFAOYSA-N 0 3 404.337 5.586 40 0 HKABHN O=C(OC1(c2nccc3ccccc32)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000004774466 557596699 /nfs/dbraw/zinc/59/66/99/557596699.db2.gz WTIRZMWPTTTYJK-UHFFFAOYSA-N 0 3 422.528 5.583 40 0 HKABHN CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004857300 560612039 /nfs/dbraw/zinc/61/20/39/560612039.db2.gz VEOYJBYUHPFCCH-AYHJJNSGSA-N 0 3 415.628 5.019 40 0 HKABHN O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000004883054 557609709 /nfs/dbraw/zinc/60/97/09/557609709.db2.gz FRJNEHLBVLTPBU-SEJPIABJSA-N 0 3 401.913 5.186 40 0 HKABHN O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000004883144 560614789 /nfs/dbraw/zinc/61/47/89/560614789.db2.gz JWMBMROYEFZTDP-YQQQUEKLSA-N 0 3 401.913 5.186 40 0 HKABHN O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004883215 557609745 /nfs/dbraw/zinc/60/97/45/557609745.db2.gz LQRATDFWKBPIBH-MQVJKMGUSA-N 0 3 423.504 5.474 40 0 HKABHN O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004883249 560614763 /nfs/dbraw/zinc/61/47/63/560614763.db2.gz PMQWLGQMTPXPQH-AYHJJNSGSA-N 0 3 423.504 5.474 40 0 HKABHN CC(C)(C)c1ccc(CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000004895286 560611096 /nfs/dbraw/zinc/61/10/96/560611096.db2.gz IEQQYKKMRWFQRN-UHFFFAOYSA-N 0 3 416.491 5.585 40 0 HKABHN CC(C)(C)[C@@H]1CCc2c(sc3nc(CNC4CCCCCCC4)[nH]c(=O)c23)C1 ZINC000004901952 559200039 /nfs/dbraw/zinc/20/00/39/559200039.db2.gz DDBRFNBAEOWAQD-OAHLLOKOSA-N 0 3 401.620 5.338 40 0 HKABHN CC(C)(C)[C@H]1CCc2c(sc3nc(CNC4CCCCCCC4)[nH]c(=O)c23)C1 ZINC000004901959 560613763 /nfs/dbraw/zinc/61/37/63/560613763.db2.gz DDBRFNBAEOWAQD-HNNXBMFYSA-N 0 3 401.620 5.338 40 0 HKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 ZINC000004984375 560619261 /nfs/dbraw/zinc/61/92/61/560619261.db2.gz ZHLJKTQAWJWBRF-TVPUMLRDSA-N 0 3 417.505 5.034 40 0 HKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 ZINC000004984391 560619211 /nfs/dbraw/zinc/61/92/11/560619211.db2.gz ZHLJKTQAWJWBRF-XBZNOJLSSA-N 0 3 417.505 5.034 40 0 HKABHN COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025073 557627107 /nfs/dbraw/zinc/62/71/07/557627107.db2.gz VXHVUKKYMOSWJM-YEOGNCHCSA-N 0 3 401.550 5.612 40 0 HKABHN COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025074 557627122 /nfs/dbraw/zinc/62/71/22/557627122.db2.gz VXHVUKKYMOSWJM-RXTZQXTGSA-N 0 3 401.550 5.612 40 0 HKABHN COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005025075 557627141 /nfs/dbraw/zinc/62/71/41/557627141.db2.gz VXHVUKKYMOSWJM-HQGVHHEMSA-N 0 3 401.550 5.612 40 0 HKABHN CCN1CC[C@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000005053138 132299666 /nfs/dbraw/zinc/29/96/66/132299666.db2.gz NJAXYLBHGRUHJR-JOCHJYFZSA-N 0 3 402.991 5.691 40 0 HKABHN CN1CC[C@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 ZINC000005053140 132299674 /nfs/dbraw/zinc/29/96/74/132299674.db2.gz KPRFXTZPBHBLSP-VWLOTQADSA-N 0 3 424.610 5.733 40 0 HKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093678 568433328 /nfs/dbraw/zinc/43/33/28/568433328.db2.gz FWIMWRAGFVUMJK-UVUUWJHSSA-N 0 3 403.541 6.152 40 0 HKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093681 568433340 /nfs/dbraw/zinc/43/33/40/568433340.db2.gz FWIMWRAGFVUMJK-YNOCBOJOSA-N 0 3 403.541 6.152 40 0 HKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 ZINC000005093684 568433310 /nfs/dbraw/zinc/43/33/10/568433310.db2.gz FWIMWRAGFVUMJK-NFUSGRRLSA-N 0 3 403.541 6.152 40 0 HKABHN Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 ZINC000005105030 557636773 /nfs/dbraw/zinc/63/67/73/557636773.db2.gz YRQYUGOENIATHT-VSGBNLITSA-N 0 3 409.577 6.252 40 0 HKABHN Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 ZINC000005105031 557636743 /nfs/dbraw/zinc/63/67/43/557636743.db2.gz YRQYUGOENIATHT-IZLXSDGUSA-N 0 3 409.577 6.252 40 0 HKABHN Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 ZINC000005105032 557636823 /nfs/dbraw/zinc/63/68/23/557636823.db2.gz YRQYUGOENIATHT-WUFINQPMSA-N 0 3 409.577 6.252 40 0 HKABHN Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 ZINC000005105033 557636812 /nfs/dbraw/zinc/63/68/12/557636812.db2.gz YRQYUGOENIATHT-NSOVKSMOSA-N 0 3 409.577 6.252 40 0 HKABHN CN(Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 ZINC000005105039 557636790 /nfs/dbraw/zinc/63/67/90/557636790.db2.gz PVLWQGZUFMCXRG-IZLXSDGUSA-N 0 3 423.556 5.157 40 0 HKABHN CCc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(CC)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389725 557650097 /nfs/dbraw/zinc/65/00/97/557650097.db2.gz JPFMXPYYRABPJC-FICKONGGSA-N 0 3 406.614 5.649 40 0 HKABHN CCc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(CC)=C[C@H]2[C@H](O)CC(C)C)nc1 ZINC000005389726 557650169 /nfs/dbraw/zinc/65/01/69/557650169.db2.gz JPFMXPYYRABPJC-YAOOYPAMSA-N 0 3 406.614 5.649 40 0 HKABHN CCc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(CC)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389727 557650190 /nfs/dbraw/zinc/65/01/90/557650190.db2.gz JPFMXPYYRABPJC-FPCALVHFSA-N 0 3 406.614 5.649 40 0 HKABHN CCc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(CC)=C[C@@H]2[C@H](O)CC(C)C)nc1 ZINC000005389728 557650145 /nfs/dbraw/zinc/65/01/45/557650145.db2.gz JPFMXPYYRABPJC-CWTOASCOSA-N 0 3 406.614 5.649 40 0 HKABHN O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000005439832 291298869 /nfs/dbraw/zinc/29/88/69/291298869.db2.gz MZDVZANXHUVURQ-CBRVVIGPSA-N 0 3 422.981 5.353 40 0 biogenic,in-vitro HKABHN CCN(CC)CCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O ZINC000005469632 557655543 /nfs/dbraw/zinc/65/55/43/557655543.db2.gz UVSNKXZVBZELCG-UHFFFAOYSA-N 0 3 423.560 5.586 40 0 HKABHN CCc1cccc(CC)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625536 560627962 /nfs/dbraw/zinc/62/79/62/560627962.db2.gz KDCAFKGUIBMJKM-UHFFFAOYSA-N 0 3 424.976 5.159 40 0 HKABHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCC(C)CC2)c1C ZINC000005721693 569255899 /nfs/dbraw/zinc/25/58/99/569255899.db2.gz OFCOARSTFHNNCU-QFIPXVFZSA-N 0 3 424.635 6.500 40 0 HKABHN CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000005824322 557676491 /nfs/dbraw/zinc/67/64/91/557676491.db2.gz IBFSIGFORJKEAJ-OLLUBJOZSA-N 0 3 402.538 5.562 40 0 HKABHN O[C@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000005933450 557681410 /nfs/dbraw/zinc/68/14/10/557681410.db2.gz XQRAFDCEKRYLLH-JOCHJYFZSA-N 0 3 401.337 5.728 40 0 HKABHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CCC(C)CC2)c1C ZINC000006009401 557684182 /nfs/dbraw/zinc/68/41/82/557684182.db2.gz MPKCGNOAURBGRB-QHCPKHFHSA-N 0 3 422.594 6.340 40 0 HKABHN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000006044516 560739405 /nfs/dbraw/zinc/73/94/05/560739405.db2.gz XTLDSEPOMUQSED-UHFFFAOYSA-N 0 3 419.956 5.223 40 0 HKABHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C)cc2)N2CCC(C)CC2)c1C ZINC000006054038 557685487 /nfs/dbraw/zinc/68/54/87/557685487.db2.gz MPKCGNOAURBGRB-HSZRJFAPSA-N 0 3 422.594 6.340 40 0 HKABHN Cc1sc(NC(=O)c2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)c1C ZINC000006232962 569258279 /nfs/dbraw/zinc/25/82/79/569258279.db2.gz YYGNBTJSRMPPEE-UHFFFAOYSA-N 0 3 418.606 6.072 40 0 HKABHN Cc1cc(C)c(-n2cccc2CNCCOC2c3ccccc3-c3ccccc32)c(C)c1 ZINC000006370495 557700316 /nfs/dbraw/zinc/70/03/16/557700316.db2.gz BDMRUVTUSSWRPN-UHFFFAOYSA-N 0 3 422.572 6.279 40 0 HKABHN COc1cccc2c1c(OC)cc(C)c2-c1c(O)cc(OC)c2c1C[C@@H](C)N[C@H]2C ZINC000006418967 291294179 /nfs/dbraw/zinc/29/41/79/291294179.db2.gz XUFOYASAFNKRRE-CABCVRRESA-N 0 3 407.510 5.142 40 0 biogenic,in-vitro HKABHN CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006464521 568936675 /nfs/dbraw/zinc/93/66/75/568936675.db2.gz XGYONAAGJOZHRO-XYOPDGACSA-N 0 3 407.554 5.172 40 0 HKABHN CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006464563 568936645 /nfs/dbraw/zinc/93/66/45/568936645.db2.gz XGYONAAGJOZHRO-YVMFTWTESA-N 0 3 407.554 5.172 40 0 HKABHN CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000006553786 568936884 /nfs/dbraw/zinc/93/68/84/568936884.db2.gz XGYONAAGJOZHRO-GXBHKBKGSA-N 0 3 407.554 5.172 40 0 HKABHN CCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br ZINC000006595874 560745085 /nfs/dbraw/zinc/74/50/85/560745085.db2.gz BRXYLYOCERWMPD-UHFFFAOYSA-N 0 3 417.347 5.086 40 0 HKABHN CCCC[C@@H](CC)COC[C@@H](C)CO[C@H](COC[C@@H](CC)CCCC)CN(C)C ZINC000006778652 560746417 /nfs/dbraw/zinc/74/64/17/560746417.db2.gz OXQSXJOQFXUCQG-NGSHPTGOSA-N 0 3 415.703 6.035 40 0 HKABHN CCCC[C@@H](CC)COC[C@H](C)CO[C@H](COC[C@@H](CC)CCCC)CN(C)C ZINC000006778655 560746429 /nfs/dbraw/zinc/74/64/29/560746429.db2.gz OXQSXJOQFXUCQG-NDBXHCKUSA-N 0 3 415.703 6.035 40 0 HKABHN CCCC[C@H](CC)COC[C@@H](C)CO[C@H](COC[C@@H](CC)CCCC)CN(C)C ZINC000006778717 560746381 /nfs/dbraw/zinc/74/63/81/560746381.db2.gz OXQSXJOQFXUCQG-ROHNOIKCSA-N 0 3 415.703 6.035 40 0 HKABHN CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006882528 560747746 /nfs/dbraw/zinc/74/77/46/560747746.db2.gz ODBQUJCEJBONDR-UHFFFAOYSA-N 0 3 417.174 6.223 40 0 HKABHN O=C(Nc1cccc2ccccc21)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000006942684 557730863 /nfs/dbraw/zinc/73/08/63/557730863.db2.gz OSMQYAWEWUNFQV-UHFFFAOYSA-N 0 3 403.570 5.206 40 0 HKABHN CCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000007260991 557738241 /nfs/dbraw/zinc/73/82/41/557738241.db2.gz VKFRFMCHEPTEKM-UHFFFAOYSA-N 0 3 410.783 6.351 40 0 HKABHN CCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007260995 557738222 /nfs/dbraw/zinc/73/82/22/557738222.db2.gz PTTPKTSKDDCBQN-UHFFFAOYSA-N 0 3 400.777 6.896 40 0 HKABHN CCCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000007260998 557738200 /nfs/dbraw/zinc/73/82/00/557738200.db2.gz JNRNAIZTUNHIJF-UHFFFAOYSA-N 0 3 410.783 6.351 40 0 HKABHN CCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000007261660 557738215 /nfs/dbraw/zinc/73/82/15/557738215.db2.gz MRGMLFDWKUYHEE-UHFFFAOYSA-N 0 3 417.174 6.225 40 0 HKABHN CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000007262343 560750153 /nfs/dbraw/zinc/75/01/53/560750153.db2.gz ICNORSYFDQVSDV-UHFFFAOYSA-N 0 3 403.147 5.835 40 0 HKABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2cccc(F)c2)Nc2ccccc2S3)c1 ZINC000007496293 560751244 /nfs/dbraw/zinc/75/12/44/560751244.db2.gz TVJGZKQFVYSZIC-OAQYLSRUSA-N 0 3 416.477 5.221 40 0 HKABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2cccc(F)c2)Nc2ccccc2S3)c1 ZINC000007496297 560751269 /nfs/dbraw/zinc/75/12/69/560751269.db2.gz TVJGZKQFVYSZIC-NRFANRHFSA-N 0 3 416.477 5.221 40 0 HKABHN Cc1ccc2c(c1)c(-c1ccccc1)nn2CCCCN1CCN(c2ccccc2)CC1 ZINC000007498857 132324751 /nfs/dbraw/zinc/32/47/51/132324751.db2.gz ZENPHNPMTCAFIG-UHFFFAOYSA-N 0 3 424.592 5.614 40 0 HKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007525184 557744906 /nfs/dbraw/zinc/74/49/06/557744906.db2.gz ZTOWRZXZFRZVHH-UHFFFAOYSA-N 0 3 416.348 6.179 40 0 HKABHN Cc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000007537827 557745638 /nfs/dbraw/zinc/74/56/38/557745638.db2.gz DGDNFASBSZYTKP-UHFFFAOYSA-N 0 3 401.937 6.670 40 0 HKABHN Cc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000007537831 557745683 /nfs/dbraw/zinc/74/56/83/557745683.db2.gz FBLDFOCHEWNDPM-UHFFFAOYSA-N 0 3 401.937 6.670 40 0 HKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000007537939 557745689 /nfs/dbraw/zinc/74/56/89/557745689.db2.gz AHAIILZDHWZMLG-UHFFFAOYSA-N 0 3 413.920 6.055 40 0 HKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F ZINC000007537947 557745699 /nfs/dbraw/zinc/74/56/99/557745699.db2.gz BZBKQIXBSPSYFI-UHFFFAOYSA-N 0 3 413.920 6.055 40 0 HKABHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007537957 557745661 /nfs/dbraw/zinc/74/56/61/557745661.db2.gz NERDIVUYCDCDBK-UHFFFAOYSA-N 0 3 416.348 6.179 40 0 HKABHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000007537962 557745604 /nfs/dbraw/zinc/74/56/04/557745604.db2.gz JBFMRIVQOXXTKV-UHFFFAOYSA-N 0 3 416.348 6.179 40 0 HKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000007538120 557745624 /nfs/dbraw/zinc/74/56/24/557745624.db2.gz XKEVVCHIFVSIIA-UHFFFAOYSA-N 0 3 416.348 6.179 40 0 HKABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007538133 557745631 /nfs/dbraw/zinc/74/56/31/557745631.db2.gz PWGAVSSBYBCFSJ-UHFFFAOYSA-N 0 3 416.348 6.179 40 0 HKABHN COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000007538295 557745930 /nfs/dbraw/zinc/74/59/30/557745930.db2.gz OTRUXFQMFNXLKD-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN COc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000007538331 557745953 /nfs/dbraw/zinc/74/59/53/557745953.db2.gz RUNMVCCWWBNXMY-UHFFFAOYSA-N 0 3 417.936 6.371 40 0 HKABHN COc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000007538335 557745905 /nfs/dbraw/zinc/74/59/05/557745905.db2.gz RKSTXGSOLYAVOU-UHFFFAOYSA-N 0 3 417.936 6.371 40 0 HKABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000007538373 557745945 /nfs/dbraw/zinc/74/59/45/557745945.db2.gz OSMSXYCZRSVBAU-UHFFFAOYSA-N 0 3 411.929 5.616 40 0 HKABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000007538377 557745957 /nfs/dbraw/zinc/74/59/57/557745957.db2.gz VSLDZXMPPGJVRR-UHFFFAOYSA-N 0 3 411.929 5.616 40 0 HKABHN COc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000007538401 557745873 /nfs/dbraw/zinc/74/58/73/557745873.db2.gz JOINVLGUABMWJP-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000007538421 557745955 /nfs/dbraw/zinc/74/59/55/557745955.db2.gz CTGAVMOCCILPGV-UHFFFAOYSA-N 0 3 411.929 5.616 40 0 HKABHN COc1ccc(CNCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000007538431 557745947 /nfs/dbraw/zinc/74/59/47/557745947.db2.gz JVKVCSIRSZRBTD-UHFFFAOYSA-N 0 3 415.892 5.365 40 0 HKABHN COc1ccc(CNCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000007538440 557745891 /nfs/dbraw/zinc/74/58/91/557745891.db2.gz KBFOTZJPHQXELA-UHFFFAOYSA-N 0 3 415.892 5.365 40 0 HKABHN COc1ccc(CNCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000007538487 557745922 /nfs/dbraw/zinc/74/59/22/557745922.db2.gz WLZKXOBKIBYXKH-UHFFFAOYSA-N 0 3 401.481 5.856 40 0 HKABHN COc1ccc(CNCc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 ZINC000007538579 557745959 /nfs/dbraw/zinc/74/59/59/557745959.db2.gz IABMERLZXJZBMO-UHFFFAOYSA-N 0 3 415.892 5.365 40 0 HKABHN COc1ccc(CNCc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 ZINC000007538583 557745949 /nfs/dbraw/zinc/74/59/49/557745949.db2.gz GKNSOFRZKVURQK-UHFFFAOYSA-N 0 3 415.892 5.365 40 0 HKABHN COc1ccc(CNCc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1 ZINC000007540023 560751595 /nfs/dbraw/zinc/75/15/95/560751595.db2.gz OUTPUYGIWHDLMF-UHFFFAOYSA-N 0 3 403.931 5.288 40 0 HKABHN CCOCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008253158 557778061 /nfs/dbraw/zinc/77/80/61/557778061.db2.gz BITDNKKDBVQZNH-UHFFFAOYSA-N 0 3 412.755 5.198 40 0 HKABHN CCOCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008253161 557778092 /nfs/dbraw/zinc/77/80/92/557778092.db2.gz JGWHVUNYZAGMCH-UHFFFAOYSA-N 0 3 402.749 5.742 40 0 HKABHN CCOCCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008253163 557778008 /nfs/dbraw/zinc/77/80/08/557778008.db2.gz OCMWWWJKCLZZAZ-UHFFFAOYSA-N 0 3 412.755 5.198 40 0 HKABHN CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008253935 560753437 /nfs/dbraw/zinc/75/34/37/560753437.db2.gz OVSXTWDZUCAUNE-UHFFFAOYSA-N 0 3 410.739 5.332 40 0 HKABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253958 557778326 /nfs/dbraw/zinc/77/83/26/557778326.db2.gz RSARQYRXTWBBBJ-SFHVURJKSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253961 557778178 /nfs/dbraw/zinc/77/81/78/557778178.db2.gz RSARQYRXTWBBBJ-GOSISDBHSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253963 557778237 /nfs/dbraw/zinc/77/82/37/557778237.db2.gz MDYYXWSMICMKTI-UHFFFAOYSA-N 0 3 416.348 6.261 40 0 HKABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254011 557778336 /nfs/dbraw/zinc/77/83/36/557778336.db2.gz YLBFBEMHCYFXME-UHFFFAOYSA-N 0 3 405.922 5.808 40 0 HKABHN CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254021 557778301 /nfs/dbraw/zinc/77/83/01/557778301.db2.gz PXZLJQUZAMYFEF-UHFFFAOYSA-N 0 3 400.733 5.877 40 0 HKABHN CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254026 557778265 /nfs/dbraw/zinc/77/82/65/557778265.db2.gz XMJDLAVFFALNHC-UHFFFAOYSA-N 0 3 418.748 5.361 40 0 HKABHN CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1Cl ZINC000008254097 560753418 /nfs/dbraw/zinc/75/34/18/560753418.db2.gz ANLCHUZKLAWQNV-UHFFFAOYSA-N 0 3 410.739 5.332 40 0 HKABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254119 557778458 /nfs/dbraw/zinc/77/84/58/557778458.db2.gz MQGFISNQDVFCGX-KRWDZBQOSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008254122 557778527 /nfs/dbraw/zinc/77/85/27/557778527.db2.gz MQGFISNQDVFCGX-QGZVFWFLSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1F ZINC000008254178 557778464 /nfs/dbraw/zinc/77/84/64/557778464.db2.gz NGDBEFDWVXLDJL-UHFFFAOYSA-N 0 3 405.922 5.808 40 0 HKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008254180 557778521 /nfs/dbraw/zinc/77/85/21/557778521.db2.gz HNPCIYVMJDDHMJ-KRWDZBQOSA-N 0 3 413.920 6.308 40 0 HKABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000008254181 557778497 /nfs/dbraw/zinc/77/84/97/557778497.db2.gz HNPCIYVMJDDHMJ-QGZVFWFLSA-N 0 3 413.920 6.308 40 0 HKABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254585 557778787 /nfs/dbraw/zinc/77/87/87/557778787.db2.gz JUGZWQXSLYITPV-SFHVURJKSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254587 557778767 /nfs/dbraw/zinc/77/87/67/557778767.db2.gz JUGZWQXSLYITPV-GOSISDBHSA-N 0 3 410.341 5.240 40 0 HKABHN CCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254589 557778668 /nfs/dbraw/zinc/77/86/68/557778668.db2.gz RMDWXJMSBBZAJV-UHFFFAOYSA-N 0 3 416.348 6.261 40 0 HKABHN O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000008300317 291298648 /nfs/dbraw/zinc/29/86/48/291298648.db2.gz XRYVCGXZOGATIA-PKOBYXMFSA-N 0 3 414.480 5.020 40 0 biogenic,in-vitro HKABHN CCOc1cccc(CNCCc2ccc(OC)c(OC)c2)c1OCc1ccccc1 ZINC000008325506 557781850 /nfs/dbraw/zinc/78/18/50/557781850.db2.gz WTOLVJFEOJBDLN-UHFFFAOYSA-N 0 3 421.537 5.014 40 0 HKABHN CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008325932 557781836 /nfs/dbraw/zinc/78/18/36/557781836.db2.gz IFUAMXXDINVNMY-GFCCVEGCSA-N 0 3 417.174 6.223 40 0 HKABHN CC[C@@H](CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008326249 557782027 /nfs/dbraw/zinc/78/20/27/557782027.db2.gz WNYKCEPNKUHBCX-SFHVURJKSA-N 0 3 404.337 5.586 40 0 HKABHN CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008326288 557781994 /nfs/dbraw/zinc/78/19/94/557781994.db2.gz NZRNNXWAZVGLGY-HNNXBMFYSA-N 0 3 418.748 5.095 40 0 HKABHN CC[C@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326692 557782094 /nfs/dbraw/zinc/78/20/94/557782094.db2.gz IFUAMXXDINVNMY-LBPRGKRZSA-N 0 3 417.174 6.223 40 0 HKABHN CC[C@H](CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008326993 557782009 /nfs/dbraw/zinc/78/20/09/557782009.db2.gz WNYKCEPNKUHBCX-GOSISDBHSA-N 0 3 404.337 5.586 40 0 HKABHN CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008327035 557781960 /nfs/dbraw/zinc/78/19/60/557781960.db2.gz NZRNNXWAZVGLGY-OAHLLOKOSA-N 0 3 418.748 5.095 40 0 HKABHN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN(C)C)cc1Cl ZINC000008412987 557787214 /nfs/dbraw/zinc/78/72/14/557787214.db2.gz NTMMRGFWDHNLOS-UHFFFAOYSA-N 0 3 405.933 5.023 40 0 HKABHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470208 557791775 /nfs/dbraw/zinc/79/17/75/557791775.db2.gz NKECKVWAZNLYLP-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008470211 557791689 /nfs/dbraw/zinc/79/16/89/557791689.db2.gz GXPQCVWTRKEISA-UHFFFAOYSA-N 0 3 408.350 5.932 40 0 HKABHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000008470311 560755251 /nfs/dbraw/zinc/75/52/51/560755251.db2.gz CRNMCSPZIANBOF-UHFFFAOYSA-N 0 3 412.327 5.327 40 0 HKABHN COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000008470314 557791983 /nfs/dbraw/zinc/79/19/83/557791983.db2.gz OOTFMZOWRJRQLB-UHFFFAOYSA-N 0 3 418.356 5.388 40 0 HKABHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470427 557792002 /nfs/dbraw/zinc/79/20/02/557792002.db2.gz DNGIFKZVSSVCCB-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470435 557792073 /nfs/dbraw/zinc/79/20/73/557792073.db2.gz YVTZWMNXIHDKIH-UHFFFAOYSA-N 0 3 408.350 5.932 40 0 HKABHN COc1cc(CNCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471304 557791977 /nfs/dbraw/zinc/79/19/77/557791977.db2.gz NBVNDVLCFHDXEZ-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN COc1cc(CNCc2cccs2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471308 557792097 /nfs/dbraw/zinc/79/20/97/557792097.db2.gz IBDWNOPCLIFBLK-UHFFFAOYSA-N 0 3 408.350 5.932 40 0 HKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl ZINC000008471358 557792034 /nfs/dbraw/zinc/79/20/34/557792034.db2.gz UBEHFABXWHBMSC-UHFFFAOYSA-N 0 3 403.856 5.496 40 0 HKABHN COc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471424 557792020 /nfs/dbraw/zinc/79/20/20/557792020.db2.gz RVSCZOOMFKWEJN-UHFFFAOYSA-N 0 3 402.321 5.871 40 0 HKABHN COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471433 557791967 /nfs/dbraw/zinc/79/19/67/557791967.db2.gz PIKSNZASAUUKHH-UHFFFAOYSA-N 0 3 408.350 5.932 40 0 HKABHN COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471682 557792302 /nfs/dbraw/zinc/79/23/02/557792302.db2.gz ZZKCTIYLBBGYMF-UHFFFAOYSA-N 0 3 408.350 5.932 40 0 HKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1Cl ZINC000008471754 557792330 /nfs/dbraw/zinc/79/23/30/557792330.db2.gz FCXUSQWOFRKAHR-UHFFFAOYSA-N 0 3 403.856 5.496 40 0 HKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000008474332 557792561 /nfs/dbraw/zinc/79/25/61/557792561.db2.gz VDDXWQFZQKOJAN-UHFFFAOYSA-N 0 3 416.348 5.913 40 0 HKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000008474347 557792485 /nfs/dbraw/zinc/79/24/85/557792485.db2.gz BHRQMDPGVNSFBX-UHFFFAOYSA-N 0 3 416.348 5.913 40 0 HKABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 ZINC000008474504 557792531 /nfs/dbraw/zinc/79/25/31/557792531.db2.gz MWPGNOVGMYXXLJ-UHFFFAOYSA-N 0 3 411.929 5.269 40 0 HKABHN COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000008474532 557792508 /nfs/dbraw/zinc/79/25/08/557792508.db2.gz MEEIKOREAIKVPJ-UHFFFAOYSA-N 0 3 416.348 5.913 40 0 HKABHN COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1OC ZINC000008493661 557793102 /nfs/dbraw/zinc/79/31/02/557793102.db2.gz PCYXCBXDGFNSSA-UHFFFAOYSA-N 0 3 411.929 5.269 40 0 HKABHN COc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1OC ZINC000008493672 557793112 /nfs/dbraw/zinc/79/31/12/557793112.db2.gz METQYZUJFXTWST-UHFFFAOYSA-N 0 3 411.929 5.269 40 0 HKABHN COc1cccc(CNCCc2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000008495438 557793442 /nfs/dbraw/zinc/79/34/42/557793442.db2.gz NYICFFGWWWKEBX-UHFFFAOYSA-N 0 3 416.348 5.913 40 0 HKABHN C[C@H](NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000008534223 557793997 /nfs/dbraw/zinc/79/39/97/557793997.db2.gz VBHPEVWHABLCLW-IBGZPJMESA-N 0 3 401.937 6.923 40 0 HKABHN C[C@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000008534226 557794060 /nfs/dbraw/zinc/79/40/60/557794060.db2.gz OUXYHXJCLNYRGR-IBGZPJMESA-N 0 3 401.937 6.923 40 0 HKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008534230 557794031 /nfs/dbraw/zinc/79/40/31/557794031.db2.gz BZJFSRPLRXCFKI-INIZCTEOSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008534247 557794056 /nfs/dbraw/zinc/79/40/56/557794056.db2.gz LCYIXSQDTNGZKB-INIZCTEOSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008534249 557793988 /nfs/dbraw/zinc/79/39/88/557793988.db2.gz DGNBOHZFPBYXFU-INIZCTEOSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008534251 557793944 /nfs/dbraw/zinc/79/39/44/557793944.db2.gz RUBCWVDXPLJGLJ-INIZCTEOSA-N 0 3 416.348 6.432 40 0 HKABHN C[C@@H](NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000008535295 557794281 /nfs/dbraw/zinc/79/42/81/557794281.db2.gz VBHPEVWHABLCLW-LJQANCHMSA-N 0 3 401.937 6.923 40 0 HKABHN C[C@@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000008535298 557794200 /nfs/dbraw/zinc/79/42/00/557794200.db2.gz OUXYHXJCLNYRGR-LJQANCHMSA-N 0 3 401.937 6.923 40 0 HKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008535302 557794329 /nfs/dbraw/zinc/79/43/29/557794329.db2.gz BZJFSRPLRXCFKI-MRXNPFEDSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000008535319 557794290 /nfs/dbraw/zinc/79/42/90/557794290.db2.gz LCYIXSQDTNGZKB-MRXNPFEDSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008535321 557794318 /nfs/dbraw/zinc/79/43/18/557794318.db2.gz DGNBOHZFPBYXFU-MRXNPFEDSA-N 0 3 416.348 6.432 40 0 HKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008535323 557794243 /nfs/dbraw/zinc/79/42/43/557794243.db2.gz RUBCWVDXPLJGLJ-MRXNPFEDSA-N 0 3 416.348 6.432 40 0 HKABHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 ZINC000008624216 291297624 /nfs/dbraw/zinc/29/76/24/291297624.db2.gz WXLGANARIOYVAO-TZIWHRDSSA-N 0 3 409.936 5.792 40 0 biogenic,in-vitro HKABHN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 ZINC000008624227 291298049 /nfs/dbraw/zinc/29/80/49/291298049.db2.gz JZQVKLAYEZBOJV-ZJSXRUAMSA-N 0 3 417.572 6.128 40 0 biogenic,in-vitro HKABHN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 ZINC000008636069 291298090 /nfs/dbraw/zinc/29/80/90/291298090.db2.gz FLUHVXIQLHXSMJ-ISKFKSNPSA-N 0 3 403.545 5.954 40 0 biogenic,in-vitro HKABHN COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4cccc(Cl)c4)C3)c2C)cc1 ZINC000008636092 291295146 /nfs/dbraw/zinc/29/51/46/291295146.db2.gz SRKWLIWAJWBHFQ-TZIWHRDSSA-N 0 3 407.945 5.353 40 0 biogenic,in-vitro HKABHN COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(C(C)C)cc4)C3)c2C)cc1 ZINC000008636093 291295128 /nfs/dbraw/zinc/29/51/28/291295128.db2.gz DYBSPKAOCVEOAC-DNQXCXABSA-N 0 3 415.581 5.823 40 0 biogenic,in-vitro HKABHN CCN(CC)CCOC(=O)C(O)(C1CCC(C(C)C)CC1)C1CCC(C(C)C)CC1 ZINC000008637653 557798006 /nfs/dbraw/zinc/79/80/06/557798006.db2.gz AVHCGSIBPILMCF-UHFFFAOYSA-N 0 3 423.682 5.527 40 0 HKABHN Cc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000008763121 560638424 /nfs/dbraw/zinc/63/84/24/560638424.db2.gz CRYYCJQWEBWGSV-UHFFFAOYSA-N 0 3 400.526 5.022 40 0 HKABHN CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008783322 569390356 /nfs/dbraw/zinc/39/03/56/569390356.db2.gz OTAGGRZZZJCOQI-UHFFFAOYSA-N 0 3 424.585 5.168 40 0 HKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062799 569342276 /nfs/dbraw/zinc/34/22/76/569342276.db2.gz PAGGVFSMVJGZLW-UHFFFAOYSA-N 0 3 416.590 5.830 40 0 HKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062834 569342250 /nfs/dbraw/zinc/34/22/50/569342250.db2.gz GNEKHXSXDQSKPZ-UHFFFAOYSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062835 569342289 /nfs/dbraw/zinc/34/22/89/569342289.db2.gz UTOXBGLXMMJCOK-UHFFFAOYSA-N 0 3 402.563 5.689 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000009062988 569342271 /nfs/dbraw/zinc/34/22/71/569342271.db2.gz YMJPWQWSVNPQJN-UHFFFAOYSA-N 0 3 412.577 5.436 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000009063044 569342381 /nfs/dbraw/zinc/34/23/81/569342381.db2.gz NWNIGFSAGMVBJT-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 ZINC000009063064 569342323 /nfs/dbraw/zinc/34/23/23/569342323.db2.gz HNIDRCLAPKCPPD-UHFFFAOYSA-N 0 3 416.590 5.997 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1 ZINC000009063080 569342333 /nfs/dbraw/zinc/34/23/33/569342333.db2.gz AMEZKJVQMWYRKN-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009063089 569342359 /nfs/dbraw/zinc/34/23/59/569342359.db2.gz IUMFUOAYXRFDET-UHFFFAOYSA-N 0 3 412.577 5.436 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009063126 569342369 /nfs/dbraw/zinc/34/23/69/569342369.db2.gz YDNLYFSTNABRSK-UHFFFAOYSA-N 0 3 414.549 5.425 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 ZINC000009063160 569342317 /nfs/dbraw/zinc/34/23/17/569342317.db2.gz SMLUDZQZXLXULG-UHFFFAOYSA-N 0 3 421.766 5.262 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 ZINC000009063161 569342313 /nfs/dbraw/zinc/34/23/13/569342313.db2.gz ASUOEGHFXFSAOJ-UHFFFAOYSA-N 0 3 416.590 5.997 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 ZINC000009063182 569342375 /nfs/dbraw/zinc/34/23/75/569342375.db2.gz NYBWNLBEQQAYNH-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 ZINC000009063187 569342343 /nfs/dbraw/zinc/34/23/43/569342343.db2.gz MJZLFJDMZYIVNK-UHFFFAOYSA-N 0 3 411.760 5.806 40 0 HKABHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063602 569342419 /nfs/dbraw/zinc/34/24/19/569342419.db2.gz DXIJCIMLUYXPEY-UHFFFAOYSA-N 0 3 414.830 5.349 40 0 HKABHN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063634 569342437 /nfs/dbraw/zinc/34/24/37/569342437.db2.gz CCAJXAWLOCWHLG-UHFFFAOYSA-N 0 3 404.485 5.469 40 0 HKABHN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063646 569342413 /nfs/dbraw/zinc/34/24/13/569342413.db2.gz PKCVVVXPCOGFHQ-UHFFFAOYSA-N 0 3 415.723 5.637 40 0 HKABHN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010313949 569343386 /nfs/dbraw/zinc/34/33/86/569343386.db2.gz FIHDBPYNPGJYED-UHFFFAOYSA-N 0 3 407.739 5.341 40 0 HKABHN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010328511 569343821 /nfs/dbraw/zinc/34/38/21/569343821.db2.gz ASEYSCDGBCZYIJ-UHFFFAOYSA-N 0 3 416.590 6.135 40 0 HKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010328819 569343813 /nfs/dbraw/zinc/34/38/13/569343813.db2.gz GQVJHJBOTKEVGO-UHFFFAOYSA-N 0 3 420.940 6.371 40 0 HKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010330575 557860663 /nfs/dbraw/zinc/86/06/63/557860663.db2.gz KLRYSPRWKUSRJR-UHFFFAOYSA-N 0 3 416.590 6.217 40 0 HKABHN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010331109 557860680 /nfs/dbraw/zinc/86/06/80/557860680.db2.gz IXWRCTFXBBLVRJ-UHFFFAOYSA-N 0 3 420.981 5.128 40 0 HKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000010332352 569343835 /nfs/dbraw/zinc/34/38/35/569343835.db2.gz NDLXMZZEKBRTOD-UHFFFAOYSA-N 0 3 406.913 5.980 40 0 HKABHN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000010335497 569343953 /nfs/dbraw/zinc/34/39/53/569343953.db2.gz NGTOFFMHVYXAQE-UHFFFAOYSA-N 0 3 418.924 5.419 40 0 HKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010337607 557861430 /nfs/dbraw/zinc/86/14/30/557861430.db2.gz XNAOZWQPQOQKKQ-UHFFFAOYSA-N 0 3 400.522 5.504 40 0 HKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010338297 560767955 /nfs/dbraw/zinc/76/79/55/560767955.db2.gz OWSWBMDFXYBONV-UHFFFAOYSA-N 0 3 402.563 5.827 40 0 HKABHN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010338463 569343976 /nfs/dbraw/zinc/34/39/76/569343976.db2.gz KMLJQNZMPIXRKH-UHFFFAOYSA-N 0 3 402.563 6.076 40 0 HKABHN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154153 558339522 /nfs/dbraw/zinc/33/95/22/558339522.db2.gz JWOUYKNCRXCROE-DEOSSOPVSA-N 0 3 419.525 5.426 40 0 HKABHN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)on2)cc1 ZINC000012154154 558339589 /nfs/dbraw/zinc/33/95/89/558339589.db2.gz JWOUYKNCRXCROE-XMMPIXPASA-N 0 3 419.525 5.426 40 0 HKABHN Cc1ccccc1C1(O)CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000012253058 558362536 /nfs/dbraw/zinc/36/25/36/558362536.db2.gz JYWWDYNANOKPPJ-UHFFFAOYSA-N 0 3 403.551 5.083 40 0 HKABHN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(Cl)c2)C1 ZINC000012603397 291298015 /nfs/dbraw/zinc/29/80/15/291298015.db2.gz PWFVZGPHJJNDQT-ISKFKSNPSA-N 0 3 420.000 6.468 40 0 biogenic,in-vitro HKABHN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(C(C)C)cc2)C1 ZINC000012603405 291298032 /nfs/dbraw/zinc/29/80/32/291298032.db2.gz ZOYFHYMVDWCJLK-ISKFKSNPSA-N 0 3 403.545 5.954 40 0 biogenic,in-vitro HKABHN CN(Cc1ccccc1)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013284059 558529129 /nfs/dbraw/zinc/52/91/29/558529129.db2.gz SUKZMYOUEROBNF-VWLOTQADSA-N 0 3 402.925 5.721 40 0 HKABHN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 ZINC000013681521 558566865 /nfs/dbraw/zinc/56/68/65/558566865.db2.gz OKCPWVSRQGCLKI-UHFFFAOYSA-N 0 3 411.549 6.053 40 0 HKABHN Clc1ccc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990205 560831454 /nfs/dbraw/zinc/83/14/54/560831454.db2.gz QRCYYBUXPMXGKQ-UHFFFAOYSA-N 0 3 402.929 5.370 40 0 HKABHN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000014701611 558664079 /nfs/dbraw/zinc/66/40/79/558664079.db2.gz XFZCMXFVVRGAPZ-UHFFFAOYSA-N 0 3 412.577 5.511 40 0 HKABHN CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978677 558690205 /nfs/dbraw/zinc/69/02/05/558690205.db2.gz ZVSFNBNLNLXEFQ-RQZHXJHFSA-N 0 3 417.549 5.064 40 0 in-vivo HKABHN COCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016194392 560859405 /nfs/dbraw/zinc/85/94/05/560859405.db2.gz FQQOXFOBZXZEKT-UHFFFAOYSA-N 0 3 419.146 5.071 40 0 HKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196270 558778094 /nfs/dbraw/zinc/77/80/94/558778094.db2.gz MHGVWFHRDXLAKN-UHFFFAOYSA-N 0 3 420.311 6.010 40 0 HKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196321 558778181 /nfs/dbraw/zinc/77/81/81/558778181.db2.gz KCFINTACBSAOLV-UHFFFAOYSA-N 0 3 420.311 6.010 40 0 HKABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214723 558778850 /nfs/dbraw/zinc/77/88/50/558778850.db2.gz IYKAUORAYUOHEB-UHFFFAOYSA-N 0 3 420.311 6.010 40 0 HKABHN Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401401 558790133 /nfs/dbraw/zinc/79/01/33/558790133.db2.gz UZRKNWJLJCANLR-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000016449521 558791965 /nfs/dbraw/zinc/79/19/65/558791965.db2.gz MLKFIXIMZNXTOH-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000016449532 558791886 /nfs/dbraw/zinc/79/18/86/558791886.db2.gz PKAWYNVZWJUMBR-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN Fc1ccccc1CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000016449562 558792137 /nfs/dbraw/zinc/79/21/37/558792137.db2.gz KMYZYTQDADJNEE-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449693 558792258 /nfs/dbraw/zinc/79/22/58/558792258.db2.gz AEACHTJKOZXIHY-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN Fc1ccccc1COc1ccc(Cl)cc1CNCCc1c[nH]c2ccccc12 ZINC000016449991 558792233 /nfs/dbraw/zinc/79/22/33/558792233.db2.gz STGJJJSEXNMGTE-UHFFFAOYSA-N 0 3 408.904 5.872 40 0 HKABHN Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000016449996 558792213 /nfs/dbraw/zinc/79/22/13/558792213.db2.gz PMPCVNSNMURNSX-UHFFFAOYSA-N 0 3 404.312 6.044 40 0 HKABHN O[C@@H](CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477363 558793550 /nfs/dbraw/zinc/79/35/50/558793550.db2.gz IPYBELHWRBHIOF-VWLOTQADSA-N 0 3 417.936 5.895 40 0 HKABHN O[C@H](CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477366 558793590 /nfs/dbraw/zinc/79/35/90/558793590.db2.gz IPYBELHWRBHIOF-RUZDIDTESA-N 0 3 417.936 5.895 40 0 HKABHN O[C@@H](CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477369 558793641 /nfs/dbraw/zinc/79/36/41/558793641.db2.gz NFRMYGVHJWDVFK-VWLOTQADSA-N 0 3 401.481 5.381 40 0 HKABHN O[C@H](CNCc1c(OCc2ccc(F)cc2)ccc2ccccc21)c1ccccc1 ZINC000016477372 558793635 /nfs/dbraw/zinc/79/36/35/558793635.db2.gz NFRMYGVHJWDVFK-RUZDIDTESA-N 0 3 401.481 5.381 40 0 HKABHN O[C@@H](CNCc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000016477381 558793645 /nfs/dbraw/zinc/79/36/45/558793645.db2.gz MZGZYWQHEUFECG-VWLOTQADSA-N 0 3 417.936 5.895 40 0 HKABHN O[C@H](CNCc1c(OCc2ccccc2Cl)ccc2ccccc21)c1ccccc1 ZINC000016477385 558793649 /nfs/dbraw/zinc/79/36/49/558793649.db2.gz MZGZYWQHEUFECG-RUZDIDTESA-N 0 3 417.936 5.895 40 0 HKABHN O[C@@H](CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000016477464 558793596 /nfs/dbraw/zinc/79/35/96/558793596.db2.gz JDHFXDOQVCVGMX-QFIPXVFZSA-N 0 3 402.321 5.396 40 0 HKABHN O[C@H](CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000016477468 558793628 /nfs/dbraw/zinc/79/36/28/558793628.db2.gz JDHFXDOQVCVGMX-JOCHJYFZSA-N 0 3 402.321 5.396 40 0 HKABHN O[C@@H](CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000016477495 558793558 /nfs/dbraw/zinc/79/35/58/558793558.db2.gz YCKROQJYKXEYIS-QFIPXVFZSA-N 0 3 402.321 5.396 40 0 HKABHN O[C@H](CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000016477498 558793621 /nfs/dbraw/zinc/79/36/21/558793621.db2.gz YCKROQJYKXEYIS-JOCHJYFZSA-N 0 3 402.321 5.396 40 0 HKABHN Fc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2)cc1 ZINC000016479323 558793760 /nfs/dbraw/zinc/79/37/60/558793760.db2.gz WWDWTWBKXLBPMN-UHFFFAOYSA-N 0 3 414.318 5.500 40 0 HKABHN Clc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2)c(Cl)c1 ZINC000016479331 558793754 /nfs/dbraw/zinc/79/37/54/558793754.db2.gz FTXVHYICBGBZJK-UHFFFAOYSA-N 0 3 420.767 6.558 40 0 HKABHN Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480544 558794040 /nfs/dbraw/zinc/79/40/40/558794040.db2.gz AMJFLBAHWDMQET-UHFFFAOYSA-N 0 3 414.318 5.500 40 0 HKABHN Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000016480550 558794045 /nfs/dbraw/zinc/79/40/45/558794045.db2.gz NGYOQDPIMYDYMK-UHFFFAOYSA-N 0 3 414.318 5.500 40 0 HKABHN Fc1ccc(COc2ccc(Cl)cc2CNCCc2c[nH]c3ccccc23)cc1 ZINC000016525342 558795296 /nfs/dbraw/zinc/79/52/96/558795296.db2.gz OSKLZNUXAVNDLP-UHFFFAOYSA-N 0 3 408.904 5.872 40 0 HKABHN Fc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000016525973 558795515 /nfs/dbraw/zinc/79/55/15/558795515.db2.gz CPDXPKDENGEGNN-UHFFFAOYSA-N 0 3 405.900 6.501 40 0 HKABHN Fc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000016525979 558795453 /nfs/dbraw/zinc/79/54/53/558795453.db2.gz IUGOTIZXQXFUJW-UHFFFAOYSA-N 0 3 405.900 6.501 40 0 HKABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688476 558799988 /nfs/dbraw/zinc/79/99/88/558799988.db2.gz SLYYNYXIAWZIBY-UHFFFAOYSA-N 0 3 422.377 6.322 40 0 HKABHN CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688702 558800055 /nfs/dbraw/zinc/80/00/55/558800055.db2.gz CSKFSTKCHYTIOV-UHFFFAOYSA-N 0 3 422.377 6.322 40 0 HKABHN CCOc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689163 558800126 /nfs/dbraw/zinc/80/01/26/558800126.db2.gz ZOZGMYHNOUPTJW-UHFFFAOYSA-N 0 3 422.377 6.322 40 0 HKABHN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016698307 558801337 /nfs/dbraw/zinc/80/13/37/558801337.db2.gz CKHDLPVAQQRVJM-SANMLTNESA-N 0 3 414.549 5.759 40 0 HKABHN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016698309 558801271 /nfs/dbraw/zinc/80/12/71/558801271.db2.gz CKHDLPVAQQRVJM-AREMUKBSSA-N 0 3 414.549 5.759 40 0 HKABHN CN(C)CCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 ZINC000016711521 558801804 /nfs/dbraw/zinc/80/18/04/558801804.db2.gz UTPSPZQJYJBCRY-ATJXCDBQSA-N 0 3 406.382 5.708 40 0 HKABHN COc1ccc(/C(Cl)=C(\c2ccc([O-])cc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000016957874 558810248 /nfs/dbraw/zinc/81/02/48/558810248.db2.gz BJMAARQGPMBAAP-IZHYLOQSSA-N 0 3 423.940 5.497 40 0 HKABHN COc1ccc(/C(Cl)=C(\c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2)cc1 ZINC000016957874 558810250 /nfs/dbraw/zinc/81/02/50/558810250.db2.gz BJMAARQGPMBAAP-IZHYLOQSSA-N 0 3 423.940 5.497 40 0 HKABHN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000017087487 560862554 /nfs/dbraw/zinc/86/25/54/560862554.db2.gz QJDZZUTVZNRYHR-UHFFFAOYSA-N 0 3 406.570 5.738 40 0 HKABHN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000017092046 560866730 /nfs/dbraw/zinc/86/67/30/560866730.db2.gz RNVQIIJRVUEHGY-UHFFFAOYSA-N 0 3 419.956 5.223 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019014352 558836565 /nfs/dbraw/zinc/83/65/65/558836565.db2.gz IVWAMGFTACIZTK-DCCWQCMWSA-N 0 3 405.586 5.101 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019014354 558836531 /nfs/dbraw/zinc/83/65/31/558836531.db2.gz IVWAMGFTACIZTK-ZCQLBKDISA-N 0 3 405.586 5.101 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014374 569345170 /nfs/dbraw/zinc/34/51/70/569345170.db2.gz LBQAWOAUZJZLPY-JKXNYQSWSA-N 0 3 405.586 5.101 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019014376 569345218 /nfs/dbraw/zinc/34/52/18/569345218.db2.gz LBQAWOAUZJZLPY-OPZIHHCNSA-N 0 3 405.586 5.101 40 0 HKABHN CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020970 558837786 /nfs/dbraw/zinc/83/77/86/558837786.db2.gz SSOHCRQAKSQKQF-GGAORHGYSA-N 0 3 423.557 5.039 40 0 HKABHN CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020972 558837722 /nfs/dbraw/zinc/83/77/22/558837722.db2.gz SSOHCRQAKSQKQF-FYYLOGMGSA-N 0 3 423.557 5.039 40 0 HKABHN CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020975 558837791 /nfs/dbraw/zinc/83/77/91/558837791.db2.gz SSOHCRQAKSQKQF-GMAHTHKFSA-N 0 3 423.557 5.039 40 0 HKABHN CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000019020978 558837715 /nfs/dbraw/zinc/83/77/15/558837715.db2.gz SSOHCRQAKSQKQF-JTHBVZDNSA-N 0 3 423.557 5.039 40 0 HKABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019081617 558839815 /nfs/dbraw/zinc/83/98/15/558839815.db2.gz MJGCWVKOPPVTBQ-NJDAHSKKSA-N 0 3 417.018 5.264 40 0 HKABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]21 ZINC000019081627 558839733 /nfs/dbraw/zinc/83/97/33/558839733.db2.gz PWTYQEPNHPXBCJ-NJDAHSKKSA-N 0 3 417.018 5.264 40 0 HKABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 ZINC000019081648 558839793 /nfs/dbraw/zinc/83/97/93/558839793.db2.gz LJPNMTHROHCWBX-SFHLNBCPSA-N 0 3 417.018 5.264 40 0 HKABHN CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081737 558839810 /nfs/dbraw/zinc/83/98/10/558839810.db2.gz YSGHOMVLHJUMCA-UNMCSNQZSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081739 558839757 /nfs/dbraw/zinc/83/97/57/558839757.db2.gz YSGHOMVLHJUMCA-RBBKRZOGSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081741 558839767 /nfs/dbraw/zinc/83/97/67/558839767.db2.gz YSGHOMVLHJUMCA-IRLDBZIGSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000019081743 558839858 /nfs/dbraw/zinc/83/98/58/558839858.db2.gz YSGHOMVLHJUMCA-IFMALSPDSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 ZINC000019081754 558839773 /nfs/dbraw/zinc/83/97/73/558839773.db2.gz JIRXMUSMNLRCSB-UGKGYDQZSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 ZINC000019081756 558839782 /nfs/dbraw/zinc/83/97/82/558839782.db2.gz JIRXMUSMNLRCSB-SIKLNZKXSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 ZINC000019081758 558839743 /nfs/dbraw/zinc/83/97/43/558839743.db2.gz JIRXMUSMNLRCSB-KNQAVFIVSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 ZINC000019081760 558839867 /nfs/dbraw/zinc/83/98/67/558839867.db2.gz JIRXMUSMNLRCSB-DENIHFKCSA-N 0 3 413.993 5.383 40 0 HKABHN CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082742 558840273 /nfs/dbraw/zinc/84/02/73/558840273.db2.gz ODYBYPRJPOGVQB-GMAHTHKFSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082744 558840282 /nfs/dbraw/zinc/84/02/82/558840282.db2.gz ODYBYPRJPOGVQB-JTHBVZDNSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082746 558840267 /nfs/dbraw/zinc/84/02/67/558840267.db2.gz ODYBYPRJPOGVQB-GGAORHGYSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 ZINC000019082749 558840277 /nfs/dbraw/zinc/84/02/77/558840277.db2.gz ODYBYPRJPOGVQB-FYYLOGMGSA-N 0 3 411.565 5.259 40 0 HKABHN COc1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082752 558840337 /nfs/dbraw/zinc/84/03/37/558840337.db2.gz LZRSCGNUDVLUTL-ZJSXRUAMSA-N 0 3 423.601 5.129 40 0 HKABHN COc1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000019082754 558840297 /nfs/dbraw/zinc/84/02/97/558840297.db2.gz LZRSCGNUDVLUTL-XUZZJYLKSA-N 0 3 423.601 5.129 40 0 HKABHN CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019082756 558840323 /nfs/dbraw/zinc/84/03/23/558840323.db2.gz KTUJFLCRFLYJLH-GMAHTHKFSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019082758 558840261 /nfs/dbraw/zinc/84/02/61/558840261.db2.gz KTUJFLCRFLYJLH-JTHBVZDNSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019082760 558840313 /nfs/dbraw/zinc/84/03/13/558840313.db2.gz KTUJFLCRFLYJLH-GGAORHGYSA-N 0 3 411.565 5.259 40 0 HKABHN CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 ZINC000019082763 558840445 /nfs/dbraw/zinc/84/04/45/558840445.db2.gz KTUJFLCRFLYJLH-FYYLOGMGSA-N 0 3 411.565 5.259 40 0 HKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(Cl)c(F)c2)on1 ZINC000019120475 558842909 /nfs/dbraw/zinc/84/29/09/558842909.db2.gz LIQNIVAUFCRLFO-WMZHIEFXSA-N 0 3 413.924 5.584 40 0 HKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2cccc(OC(C)C)c2)on1 ZINC000019120487 558842842 /nfs/dbraw/zinc/84/28/42/558842842.db2.gz NIRTUPBBAKHPFU-JYFHCDHNSA-N 0 3 419.569 5.579 40 0 HKABHN COc1ccc(C)cc1CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019133352 558845865 /nfs/dbraw/zinc/84/58/65/558845865.db2.gz PDVIKYKVXNGTAN-UHFFFAOYSA-N 0 3 401.457 5.165 40 0 HKABHN COc1ccc(C)cc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133435 558845771 /nfs/dbraw/zinc/84/57/71/558845771.db2.gz SKLNZDQZGONJHJ-OAHLLOKOSA-N 0 3 401.457 5.165 40 0 HKABHN COc1ccc(C)cc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019133439 558845818 /nfs/dbraw/zinc/84/58/18/558845818.db2.gz SKLNZDQZGONJHJ-HNNXBMFYSA-N 0 3 401.457 5.165 40 0 HKABHN Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019210351 558848246 /nfs/dbraw/zinc/84/82/46/558848246.db2.gz CXBLWKGQZGTVHP-HJOGWXRNSA-N 0 3 408.611 5.063 40 0 HKABHN Cc1ccc(-c2nnc([C@@H]3CCCN(CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213467 558849363 /nfs/dbraw/zinc/84/93/63/558849363.db2.gz URXYHQPENJSIRJ-HXUWFJFHSA-N 0 3 423.582 5.566 40 0 HKABHN Cc1ccc(-c2nnc([C@H]3CCCN(CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 ZINC000019213470 558849351 /nfs/dbraw/zinc/84/93/51/558849351.db2.gz URXYHQPENJSIRJ-FQEVSTJZSA-N 0 3 423.582 5.566 40 0 HKABHN COCCn1c(C)c(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 ZINC000019215435 558850027 /nfs/dbraw/zinc/85/00/27/558850027.db2.gz ONCRPAVDUCJCJE-DEOSSOPVSA-N 0 3 419.594 5.435 40 0 HKABHN COCCn1c(C)c(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 ZINC000019215438 558850120 /nfs/dbraw/zinc/85/01/20/558850120.db2.gz ONCRPAVDUCJCJE-XMMPIXPASA-N 0 3 419.594 5.435 40 0 HKABHN Cc1cccc(C2(O)CCN(Cc3c4cccnc4[nH]c3-c3cccs3)CC2)c1 ZINC000019234512 558853719 /nfs/dbraw/zinc/85/37/19/558853719.db2.gz MEDYKEOZOYNTGI-UHFFFAOYSA-N 0 3 403.551 5.083 40 0 HKABHN Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019235064 558854204 /nfs/dbraw/zinc/85/42/04/558854204.db2.gz JHBSMOPRBZNBBM-HJOGWXRNSA-N 0 3 408.611 5.063 40 0 HKABHN Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)c1 ZINC000019235245 558854389 /nfs/dbraw/zinc/85/43/89/558854389.db2.gz FGKXJIWJOZRPKU-WXFUMESZSA-N 0 3 408.611 5.063 40 0 HKABHN Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4ccsc4)C[C@@H]32)c1 ZINC000019235249 558854339 /nfs/dbraw/zinc/85/43/39/558854339.db2.gz KUPAFPQWHBQZHQ-WXFUMESZSA-N 0 3 408.611 5.063 40 0 HKABHN COc1c(C)cccc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235966 558854995 /nfs/dbraw/zinc/85/49/95/558854995.db2.gz DTCHWHGNGDMTSV-OAHLLOKOSA-N 0 3 401.457 5.165 40 0 HKABHN COc1c(C)cccc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019235967 558855110 /nfs/dbraw/zinc/85/51/10/558855110.db2.gz DTCHWHGNGDMTSV-HNNXBMFYSA-N 0 3 401.457 5.165 40 0 HKABHN Cc1cccc(CN2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236213 558855370 /nfs/dbraw/zinc/85/53/70/558855370.db2.gz DLRCOHYZKZSFFR-OAHLLOKOSA-N 0 3 418.463 5.448 40 0 HKABHN Cc1cccc(CN2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236214 558855317 /nfs/dbraw/zinc/85/53/17/558855317.db2.gz DLRCOHYZKZSFFR-HNNXBMFYSA-N 0 3 418.463 5.448 40 0 HKABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293420 558865175 /nfs/dbraw/zinc/86/51/75/558865175.db2.gz JIEPCZMWFHNYKV-FKBYEOEOSA-N 0 3 415.002 5.018 40 0 HKABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334346 558869412 /nfs/dbraw/zinc/86/94/12/558869412.db2.gz XNEHZCJKCRBFKC-FKBYEOEOSA-N 0 3 415.002 5.018 40 0 HKABHN O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343537 558872474 /nfs/dbraw/zinc/87/24/74/558872474.db2.gz PPSJYOXWHDFJBR-YPAWHYETSA-N 0 3 414.640 5.206 40 0 HKABHN O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349217 558874827 /nfs/dbraw/zinc/87/48/27/558874827.db2.gz PWHSVDKMDIYDPZ-ONTIZHBOSA-N 0 3 415.002 5.018 40 0 HKABHN c1ccc2c(c1)-c1ccccc1C2N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019365288 560872885 /nfs/dbraw/zinc/87/28/85/560872885.db2.gz PTFVYTNOAJBUJP-UHFFFAOYSA-N 0 3 414.552 6.144 40 0 HKABHN Fc1cccc(CN(CCCn2ccnc2)Cc2cccn2-c2ccccc2F)c1 ZINC000019368470 558877501 /nfs/dbraw/zinc/87/75/01/558877501.db2.gz WIMWHZVKCVLDLS-UHFFFAOYSA-N 0 3 406.480 5.045 40 0 HKABHN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019369001 558877716 /nfs/dbraw/zinc/87/77/16/558877716.db2.gz UYZBJXQZRJZFTA-HJOGWXRNSA-N 0 3 420.553 5.018 40 0 HKABHN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019369007 558877695 /nfs/dbraw/zinc/87/76/95/558877695.db2.gz RYASUXVFHZSHFE-HJOGWXRNSA-N 0 3 420.553 5.018 40 0 HKABHN O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000019372262 558879465 /nfs/dbraw/zinc/87/94/65/558879465.db2.gz NJIGMYUJIHFUIC-WXFUMESZSA-N 0 3 408.611 5.145 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000019373142 558880374 /nfs/dbraw/zinc/88/03/74/558880374.db2.gz CJWSCPLFTVZMED-OAQYLSRUSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000019373144 558880400 /nfs/dbraw/zinc/88/04/00/558880400.db2.gz CJWSCPLFTVZMED-NRFANRHFSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000019373145 558880404 /nfs/dbraw/zinc/88/04/04/558880404.db2.gz BWRFYSVINZBTPI-JOCHJYFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000019373147 558880391 /nfs/dbraw/zinc/88/03/91/558880391.db2.gz BWRFYSVINZBTPI-QFIPXVFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000019373148 558880354 /nfs/dbraw/zinc/88/03/54/558880354.db2.gz LIZHTANQAKYFBC-JOCHJYFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000019373149 558880331 /nfs/dbraw/zinc/88/03/31/558880331.db2.gz LIZHTANQAKYFBC-QFIPXVFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000019373150 558880383 /nfs/dbraw/zinc/88/03/83/558880383.db2.gz JYWGJMUIFKBZSO-JOCHJYFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000019373152 558880306 /nfs/dbraw/zinc/88/03/06/558880306.db2.gz JYWGJMUIFKBZSO-QFIPXVFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000019373153 558880366 /nfs/dbraw/zinc/88/03/66/558880366.db2.gz CHPNPWVDFCNBEL-JOCHJYFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000019373154 558880337 /nfs/dbraw/zinc/88/03/37/558880337.db2.gz CHPNPWVDFCNBEL-QFIPXVFZSA-N 0 3 422.536 5.057 40 0 HKABHN c1ccc(Nc2cc(-c3ccncc3)nc(C3CCN(Cc4ccncc4)CC3)n2)cc1 ZINC000019373338 558880500 /nfs/dbraw/zinc/88/05/00/558880500.db2.gz JYJNUEIYDVDEDD-UHFFFAOYSA-N 0 3 422.536 5.057 40 0 HKABHN O=C(N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400909 558883309 /nfs/dbraw/zinc/88/33/09/558883309.db2.gz RJASJPPNRNWZKT-FYYLOGMGSA-N 0 3 411.977 5.137 40 0 HKABHN O=C(N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000019400912 558883537 /nfs/dbraw/zinc/88/35/37/558883537.db2.gz RJASJPPNRNWZKT-JTHBVZDNSA-N 0 3 411.977 5.137 40 0 HKABHN O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019406536 558885125 /nfs/dbraw/zinc/88/51/25/558885125.db2.gz FRXXBVSWBAYIIV-YPAWHYETSA-N 0 3 414.640 5.206 40 0 HKABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019452097 558889950 /nfs/dbraw/zinc/88/99/50/558889950.db2.gz FVEFVCBDSWTJLG-OAHLLOKOSA-N 0 3 404.436 5.140 40 0 HKABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019452099 558889941 /nfs/dbraw/zinc/88/99/41/558889941.db2.gz FVEFVCBDSWTJLG-HNNXBMFYSA-N 0 3 404.436 5.140 40 0 HKABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019452105 558889905 /nfs/dbraw/zinc/88/99/05/558889905.db2.gz PNFFCBBEVJRILX-OAHLLOKOSA-N 0 3 404.436 5.140 40 0 HKABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019452107 558890114 /nfs/dbraw/zinc/89/01/14/558890114.db2.gz PNFFCBBEVJRILX-HNNXBMFYSA-N 0 3 404.436 5.140 40 0 HKABHN CC(C)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019453276 558890831 /nfs/dbraw/zinc/89/08/31/558890831.db2.gz KGMJDOJQEIYTKT-HJOGWXRNSA-N 0 3 408.611 5.098 40 0 HKABHN CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496756 558895712 /nfs/dbraw/zinc/89/57/12/558895712.db2.gz RHVZPOJLKWDWQJ-JOCHJYFZSA-N 0 3 417.553 5.080 40 0 HKABHN CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4cccc5ccccc54)C3)no2)CC1 ZINC000019496757 558895592 /nfs/dbraw/zinc/89/55/92/558895592.db2.gz RHVZPOJLKWDWQJ-QFIPXVFZSA-N 0 3 417.553 5.080 40 0 HKABHN CCc1c(C)noc1-c1snnc1C1CCN(Cc2cc(C)sc2C)CC1 ZINC000019521797 558902789 /nfs/dbraw/zinc/90/27/89/558902789.db2.gz DUZMZXIHZXVUKA-UHFFFAOYSA-N 0 3 402.589 5.122 40 0 HKABHN CCCc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 ZINC000019525484 558906652 /nfs/dbraw/zinc/90/66/52/558906652.db2.gz WARRWPTZPNFPTQ-GBXCKJPGSA-N 0 3 409.599 5.806 40 0 HKABHN CCOc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533175 558912996 /nfs/dbraw/zinc/91/29/96/558912996.db2.gz SHMXDPWBQJFYIE-WIOPSUGQSA-N 0 3 405.542 5.190 40 0 HKABHN CCOc1ccc(CN2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533258 558913051 /nfs/dbraw/zinc/91/30/51/558913051.db2.gz VLUUFMZXERLAPA-XMMPIXPASA-N 0 3 402.542 5.281 40 0 HKABHN CCOc1ccc(CN2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019533260 558912985 /nfs/dbraw/zinc/91/29/85/558912985.db2.gz VLUUFMZXERLAPA-DEOSSOPVSA-N 0 3 402.542 5.281 40 0 HKABHN COc1ccccc1/C=C/CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019564973 558925080 /nfs/dbraw/zinc/92/50/80/558925080.db2.gz JARRRHOZSUBPFE-FNORWQNLSA-N 0 3 413.468 5.370 40 0 HKABHN COc1ccc(CCN(Cc2[nH]c3ccccc3c2C)Cc2ccncc2)cc1OC ZINC000019565867 558925714 /nfs/dbraw/zinc/92/57/14/558925714.db2.gz JFQFSIJVLCIEFX-UHFFFAOYSA-N 0 3 415.537 5.133 40 0 HKABHN Cc1noc2nc(C3CCN(Cc4cc(C)c(O)c(C)c4)CC3)cc(C(F)F)c12 ZINC000019569971 558928729 /nfs/dbraw/zinc/92/87/29/558928729.db2.gz CZCGELWDWVTWIH-UHFFFAOYSA-N 0 3 401.457 5.171 40 0 HKABHN COc1ccc(CN2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)c(C)c1C ZINC000019577321 558933058 /nfs/dbraw/zinc/93/30/58/558933058.db2.gz IHXAXFFCSCTLST-UHFFFAOYSA-N 0 3 422.598 5.222 40 0 HKABHN COc1ccc(-c2ccccc2NC(=O)c2noc(C)c2CN2CCCCCC2)cc1 ZINC000019663116 558954015 /nfs/dbraw/zinc/95/40/15/558954015.db2.gz CBOZJIQZRGKGLU-UHFFFAOYSA-N 0 3 419.525 5.287 40 0 HKABHN COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687273 568825891 /nfs/dbraw/zinc/82/58/91/568825891.db2.gz IMHOEUSTZYAVSX-MHZLTWQESA-N 0 3 409.533 5.566 40 0 HKABHN COc1cccc(Cc2ccc([C@H]3CCCN3Cc3ccnc4ccccc34)nc2)c1 ZINC000019687275 569428415 /nfs/dbraw/zinc/42/84/15/569428415.db2.gz IMHOEUSTZYAVSX-HHHXNRCGSA-N 0 3 409.533 5.566 40 0 HKABHN CCn1cc(CN2CCC(c3ccc(-c4cncnc4)cn3)CC2)c2ccc(F)cc21 ZINC000019688062 558957577 /nfs/dbraw/zinc/95/75/77/558957577.db2.gz JKOSKVLTUHFUDH-UHFFFAOYSA-N 0 3 415.516 5.032 40 0 HKABHN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000019689523 569428441 /nfs/dbraw/zinc/42/84/41/569428441.db2.gz FUCFSAHOIUZVSH-DEOSSOPVSA-N 0 3 409.537 5.095 40 0 HKABHN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000019689525 569428412 /nfs/dbraw/zinc/42/84/12/569428412.db2.gz FUCFSAHOIUZVSH-XMMPIXPASA-N 0 3 409.537 5.095 40 0 HKABHN COCc1cc(CN2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690788 558960029 /nfs/dbraw/zinc/96/00/29/558960029.db2.gz JMQXYXIXNAOWLQ-XMMPIXPASA-N 0 3 420.557 5.051 40 0 HKABHN COCc1cc(CN2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C ZINC000019690789 558960041 /nfs/dbraw/zinc/96/00/41/558960041.db2.gz JMQXYXIXNAOWLQ-DEOSSOPVSA-N 0 3 420.557 5.051 40 0 HKABHN Cc1c(CN2CCC(c3cc(Cc4ccc(Cl)cc4)cc(C)n3)CC2)cnn1C ZINC000019691580 558960795 /nfs/dbraw/zinc/96/07/95/558960795.db2.gz FFGWAJRUHSABLQ-UHFFFAOYSA-N 0 3 408.977 5.056 40 0 HKABHN CCn1ncc(CN2CCC(c3cc(Cc4cccc(F)c4)cc(C)n3)CC2)c1C ZINC000019691591 558960750 /nfs/dbraw/zinc/96/07/50/558960750.db2.gz XYQKMEMIPDXFHD-UHFFFAOYSA-N 0 3 406.549 5.024 40 0 HKABHN CCn1ncc(CN2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)c1C ZINC000019691592 558960746 /nfs/dbraw/zinc/96/07/46/558960746.db2.gz QFEIHVXOWRQERR-UHFFFAOYSA-N 0 3 406.549 5.024 40 0 HKABHN Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1 ZINC000019703634 558967719 /nfs/dbraw/zinc/96/77/19/558967719.db2.gz ILAFSLUGIVIDJC-DEOSSOPVSA-N 0 3 416.500 5.056 40 0 HKABHN Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1 ZINC000019703635 558967759 /nfs/dbraw/zinc/96/77/59/558967759.db2.gz ILAFSLUGIVIDJC-XMMPIXPASA-N 0 3 416.500 5.056 40 0 HKABHN CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704367 569347636 /nfs/dbraw/zinc/34/76/36/569347636.db2.gz FCIHQNIXGYMWGB-OAQYLSRUSA-N 0 3 419.573 5.015 40 0 HKABHN CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704368 569347662 /nfs/dbraw/zinc/34/76/62/569347662.db2.gz FCIHQNIXGYMWGB-NRFANRHFSA-N 0 3 419.573 5.015 40 0 HKABHN Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705278 569347851 /nfs/dbraw/zinc/34/78/51/569347851.db2.gz YFTAVLKRPKMMRV-JOCHJYFZSA-N 0 3 424.557 5.028 40 0 HKABHN Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705279 569347872 /nfs/dbraw/zinc/34/78/72/569347872.db2.gz YFTAVLKRPKMMRV-QFIPXVFZSA-N 0 3 424.557 5.028 40 0 HKABHN Cc1nc2ccc(Cl)cn2c1CN(Cc1ccccc1Cl)C1CCN(C)CC1 ZINC000019715707 558977012 /nfs/dbraw/zinc/97/70/12/558977012.db2.gz XHPOYPHYLTXSCY-UHFFFAOYSA-N 0 3 417.384 5.046 40 0 HKABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl ZINC000020039914 558325660 /nfs/dbraw/zinc/32/56/60/558325660.db2.gz MBBZOSRSWLYBOO-UHFFFAOYSA-N 0 3 414.933 5.001 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)CC1 ZINC000020043765 558326795 /nfs/dbraw/zinc/32/67/95/558326795.db2.gz LIXFAKJBKNQSSY-UHFFFAOYSA-N 0 3 410.867 5.843 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1 ZINC000020104712 558333038 /nfs/dbraw/zinc/33/30/38/558333038.db2.gz ALFXOFRPDDQDSX-UHFFFAOYSA-N 0 3 416.590 6.322 40 0 HKABHN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1 ZINC000020106597 558333649 /nfs/dbraw/zinc/33/36/49/558333649.db2.gz BNMKWUHCYWEPHE-MHZLTWQESA-N 0 3 412.577 5.746 40 0 HKABHN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1 ZINC000020106598 525968251 /nfs/dbraw/zinc/96/82/51/525968251.db2.gz BNMKWUHCYWEPHE-HHHXNRCGSA-N 0 3 412.577 5.746 40 0 HKABHN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020108065 558334258 /nfs/dbraw/zinc/33/42/58/558334258.db2.gz KRIGMOUQOFFNRJ-RUZDIDTESA-N 0 3 408.586 5.444 40 0 HKABHN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020108067 558334262 /nfs/dbraw/zinc/33/42/62/558334262.db2.gz KRIGMOUQOFFNRJ-VWLOTQADSA-N 0 3 408.586 5.444 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1 ZINC000020111755 558336044 /nfs/dbraw/zinc/33/60/44/558336044.db2.gz UBCRTHPEGBADCR-UHFFFAOYSA-N 0 3 400.522 5.963 40 0 HKABHN Cc1ccccc1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000020239932 560883273 /nfs/dbraw/zinc/88/32/73/560883273.db2.gz YAYDCFSWPVGCPE-UHFFFAOYSA-N 0 3 412.577 5.380 40 0 HKABHN C[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020239935 560883225 /nfs/dbraw/zinc/88/32/25/560883225.db2.gz ZFLRUGICGGYDHI-JOCHJYFZSA-N 0 3 412.577 5.632 40 0 HKABHN C[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000020239938 560883239 /nfs/dbraw/zinc/88/32/39/560883239.db2.gz ZFLRUGICGGYDHI-QFIPXVFZSA-N 0 3 412.577 5.632 40 0 HKABHN CC(C)C(NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)C(C)C ZINC000020239941 560883259 /nfs/dbraw/zinc/88/32/59/560883259.db2.gz XVVPTDYIAVWOMV-UHFFFAOYSA-N 0 3 406.614 5.552 40 0 HKABHN O=C(Nc1ccccc1F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000020239944 560883331 /nfs/dbraw/zinc/88/33/31/560883331.db2.gz JNWZWTSKYQYAFV-UHFFFAOYSA-N 0 3 402.513 5.533 40 0 HKABHN Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000020241889 560883251 /nfs/dbraw/zinc/88/32/51/560883251.db2.gz MOUKXJARSVHTPR-UHFFFAOYSA-N 0 3 412.577 6.010 40 0 HKABHN O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000020241893 560883294 /nfs/dbraw/zinc/88/32/94/560883294.db2.gz VQWVXUHAOWHOGW-UHFFFAOYSA-N 0 3 418.968 6.047 40 0 HKABHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000020241894 560883414 /nfs/dbraw/zinc/88/34/14/560883414.db2.gz ZCRHRXJRKWAJCU-UHFFFAOYSA-N 0 3 418.968 6.047 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)CC1 ZINC000020451566 558366009 /nfs/dbraw/zinc/36/60/09/558366009.db2.gz AXUFSGUJXHJCNZ-UHFFFAOYSA-N 0 3 421.766 5.587 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000020451755 558366097 /nfs/dbraw/zinc/36/60/97/558366097.db2.gz DPWYZYBZZNYBLC-UHFFFAOYSA-N 0 3 402.991 5.094 40 0 HKABHN Cc1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Br ZINC000020454914 558368693 /nfs/dbraw/zinc/36/86/93/558368693.db2.gz GQAIGPBSIWGDLD-UHFFFAOYSA-N 0 3 401.348 5.242 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)CC1 ZINC000020455107 558369047 /nfs/dbraw/zinc/36/90/47/558369047.db2.gz GIOYVXVWMJSMEY-UHFFFAOYSA-N 0 3 417.018 5.235 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC000020456310 558369700 /nfs/dbraw/zinc/36/97/00/558369700.db2.gz RSEZEBWLUMFNDR-UHFFFAOYSA-N 0 3 410.867 5.843 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)CC1 ZINC000020460432 558372614 /nfs/dbraw/zinc/37/26/14/558372614.db2.gz UXXLGBIWJKTTGE-UHFFFAOYSA-N 0 3 417.018 5.235 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1 ZINC000020481259 558375244 /nfs/dbraw/zinc/37/52/44/558375244.db2.gz ZDLHVIHYEUNVIF-UHFFFAOYSA-N 0 3 412.577 5.761 40 0 HKABHN Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000020487276 558376740 /nfs/dbraw/zinc/37/67/40/558376740.db2.gz MITWHZVPIJQAIS-MHZLTWQESA-N 0 3 412.577 5.746 40 0 HKABHN Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000020487279 558376718 /nfs/dbraw/zinc/37/67/18/558376718.db2.gz MITWHZVPIJQAIS-HHHXNRCGSA-N 0 3 412.577 5.746 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)CC1 ZINC000020493350 558379061 /nfs/dbraw/zinc/37/90/61/558379061.db2.gz IQGCDSUIBXTJLS-UHFFFAOYSA-N 0 3 417.018 5.235 40 0 HKABHN O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503171 575369203 /nfs/dbraw/zinc/36/92/03/575369203.db2.gz PHXDDHVGVJHDDK-GBXCKJPGSA-N 0 3 424.519 5.427 40 0 biogenic,in-vitro HKABHN O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000020503192 575369260 /nfs/dbraw/zinc/36/92/60/575369260.db2.gz NUEWBOYMFXLQKW-FUHWJXTLSA-N 0 3 418.587 5.411 40 0 biogenic,in-vitro HKABHN O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503374 575369663 /nfs/dbraw/zinc/36/96/63/575369663.db2.gz JLAUUROJJUMJGH-GBXCKJPGSA-N 0 3 424.519 5.427 40 0 biogenic,in-vitro HKABHN Fc1ccc([C@@H]2CCN(Cc3ccccc3)C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000022051458 558459834 /nfs/dbraw/zinc/45/98/34/558459834.db2.gz AGTKMLMRHVWXHN-URXFXBBRSA-N 0 3 419.496 5.239 40 0 in-vitro HKABHN CN(C)CCOc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 ZINC000022053149 558459926 /nfs/dbraw/zinc/45/99/26/558459926.db2.gz IAJYQHATSIOBSH-WCWDXBQESA-N 0 3 422.366 5.939 40 0 in-vitro HKABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1 ZINC000022074530 558462240 /nfs/dbraw/zinc/46/22/40/558462240.db2.gz AWCQYDRSZSTKAY-UHFFFAOYSA-N 0 3 413.920 5.789 40 0 HKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074562 558462262 /nfs/dbraw/zinc/46/22/62/558462262.db2.gz MCHLLNDXMJSVEV-UHFFFAOYSA-N 0 3 417.883 5.538 40 0 HKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F ZINC000022074567 558462184 /nfs/dbraw/zinc/46/21/84/558462184.db2.gz JAUHWEUMOMPSLW-UHFFFAOYSA-N 0 3 417.883 5.538 40 0 HKABHN CCN(CC)CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022075208 568473903 /nfs/dbraw/zinc/47/39/03/568473903.db2.gz KTHIQTDZIOYMIS-UHFFFAOYSA-N 0 3 411.373 5.012 40 0 HKABHN CN(C)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022075234 558462511 /nfs/dbraw/zinc/46/25/11/558462511.db2.gz OXWNIZGQTPDVEU-UHFFFAOYSA-N 0 3 403.353 5.377 40 0 HKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075357 558462429 /nfs/dbraw/zinc/46/24/29/558462429.db2.gz HCJUOPUMPOIYRZ-JOCHJYFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075359 558462353 /nfs/dbraw/zinc/46/23/53/558462353.db2.gz HCJUOPUMPOIYRZ-QFIPXVFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075371 558462336 /nfs/dbraw/zinc/46/23/36/558462336.db2.gz ZGEZJSSJMQOZGU-JOCHJYFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075373 558462417 /nfs/dbraw/zinc/46/24/17/558462417.db2.gz ZGEZJSSJMQOZGU-QFIPXVFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075629 558462543 /nfs/dbraw/zinc/46/25/43/558462543.db2.gz ADCHWFRDWXVFPI-JOCHJYFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075631 558462399 /nfs/dbraw/zinc/46/23/99/558462399.db2.gz ADCHWFRDWXVFPI-QFIPXVFZSA-N 0 3 411.929 5.141 40 0 HKABHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075828 568474090 /nfs/dbraw/zinc/47/40/90/568474090.db2.gz ALUFWQHKXCZSCG-UHFFFAOYSA-N 0 3 415.792 5.657 40 0 HKABHN COc1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000022076505 558462837 /nfs/dbraw/zinc/46/28/37/558462837.db2.gz GJNMTEBUVFVGKY-UHFFFAOYSA-N 0 3 406.309 5.603 40 0 HKABHN COc1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1OC ZINC000022076552 558462794 /nfs/dbraw/zinc/46/27/94/558462794.db2.gz OQGLAUBUFNNQOG-UHFFFAOYSA-N 0 3 406.309 5.603 40 0 HKABHN COc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1OC ZINC000022076606 558462825 /nfs/dbraw/zinc/46/28/25/558462825.db2.gz XIWYBLQPGOBUMN-UHFFFAOYSA-N 0 3 416.315 5.059 40 0 HKABHN COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000022076818 558462743 /nfs/dbraw/zinc/46/27/43/558462743.db2.gz IPFHZQYGZQRCAC-UHFFFAOYSA-N 0 3 406.309 5.603 40 0 HKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1cccs1 ZINC000022107553 568475403 /nfs/dbraw/zinc/47/54/03/568475403.db2.gz JVFHQLWRCDQLAH-UHFFFAOYSA-N 0 3 405.922 5.461 40 0 HKABHN COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107563 568475373 /nfs/dbraw/zinc/47/53/73/568475373.db2.gz FKNRXMIRVXGEBF-YCRPNKLZSA-N 0 3 417.958 5.201 40 0 HKABHN COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107569 568475347 /nfs/dbraw/zinc/47/53/47/568475347.db2.gz FKNRXMIRVXGEBF-QVKFZJNVSA-N 0 3 417.958 5.201 40 0 HKABHN COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107576 568475433 /nfs/dbraw/zinc/47/54/33/568475433.db2.gz FKNRXMIRVXGEBF-BTYIYWSLSA-N 0 3 417.958 5.201 40 0 HKABHN COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107582 568475353 /nfs/dbraw/zinc/47/53/53/568475353.db2.gz FKNRXMIRVXGEBF-VFNWGFHPSA-N 0 3 417.958 5.201 40 0 HKABHN CC(C)C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516350 558493988 /nfs/dbraw/zinc/49/39/88/558493988.db2.gz LGKPNGXMBPOISF-HHHXNRCGSA-N 0 3 412.577 5.762 40 0 HKABHN CC(C)C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000022516355 558493950 /nfs/dbraw/zinc/49/39/50/558493950.db2.gz LGKPNGXMBPOISF-MHZLTWQESA-N 0 3 412.577 5.762 40 0 HKABHN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC ZINC000022523212 558495266 /nfs/dbraw/zinc/49/52/66/558495266.db2.gz QTJONOACMCLQLQ-HXUWFJFHSA-N 0 3 424.585 5.207 40 0 HKABHN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC ZINC000022523216 558495129 /nfs/dbraw/zinc/49/51/29/558495129.db2.gz QTJONOACMCLQLQ-FQEVSTJZSA-N 0 3 424.585 5.207 40 0 HKABHN CCSc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000022529161 558496605 /nfs/dbraw/zinc/49/66/05/558496605.db2.gz JFLIHVLURPZOPY-UHFFFAOYSA-N 0 3 402.563 5.609 40 0 HKABHN O[C@@H](CNCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026897938 569059991 /nfs/dbraw/zinc/05/99/91/569059991.db2.gz KMHZEIBEUBYGQT-NDEPHWFRSA-N 0 3 423.556 5.146 40 0 HKABHN CCCCCCN1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC000028048375 558690370 /nfs/dbraw/zinc/69/03/70/558690370.db2.gz GGQDUYSCJOTOCP-UHFFFAOYSA-N 0 3 408.977 5.653 40 0 HKABHN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220391 558693176 /nfs/dbraw/zinc/69/31/76/558693176.db2.gz HRYVSDWFCQECLV-HSZRJFAPSA-N 0 3 418.968 5.458 40 0 HKABHN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220396 558693139 /nfs/dbraw/zinc/69/31/39/558693139.db2.gz HRYVSDWFCQECLV-QHCPKHFHSA-N 0 3 418.968 5.458 40 0 HKABHN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 ZINC000028296182 558699042 /nfs/dbraw/zinc/69/90/42/558699042.db2.gz SFZVWOPOLZLNES-QFIPXVFZSA-N 0 3 423.944 5.198 40 0 HKABHN CC1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 ZINC000028296184 558699053 /nfs/dbraw/zinc/69/90/53/558699053.db2.gz SFZVWOPOLZLNES-JOCHJYFZSA-N 0 3 423.944 5.198 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000030752237 558736257 /nfs/dbraw/zinc/73/62/57/558736257.db2.gz JJNHABUTVJTDPJ-UHFFFAOYSA-N 0 3 410.867 5.843 40 0 HKABHN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000030870673 558743412 /nfs/dbraw/zinc/74/34/12/558743412.db2.gz XEUYLLDMWLLROE-UHFFFAOYSA-N 0 3 410.539 5.122 40 0 HKABHN CC1=C[C@@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882829 291290622 /nfs/dbraw/zinc/29/06/22/291290622.db2.gz KJWFYERPERHVLL-FIXSFTCYSA-N 0 3 416.569 5.319 40 0 biogenic,in-vitro HKABHN CC1=C[C@@H](CNCc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883405 291290631 /nfs/dbraw/zinc/29/06/31/291290631.db2.gz NTZNHDRFYLVBMV-IPJJNNNSSA-N 0 3 423.532 5.656 40 0 biogenic,in-vitro HKABHN CC1=C[C@@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883589 291290330 /nfs/dbraw/zinc/29/03/30/291290330.db2.gz YYKVSYYALWSRHE-FKBYEOEOSA-N 0 3 410.606 5.291 40 0 biogenic,in-vitro HKABHN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030937850 558744908 /nfs/dbraw/zinc/74/49/08/558744908.db2.gz HMNAITQXMBMCTC-OAQYLSRUSA-N 0 3 402.563 5.689 40 0 HKABHN O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000030937853 558744976 /nfs/dbraw/zinc/74/49/76/558744976.db2.gz HMNAITQXMBMCTC-NRFANRHFSA-N 0 3 402.563 5.689 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)CC1 ZINC000030938602 558745184 /nfs/dbraw/zinc/74/51/84/558745184.db2.gz MMPOLVZSMPURPE-UHFFFAOYSA-N 0 3 405.311 5.072 40 0 HKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941348 558745563 /nfs/dbraw/zinc/74/55/63/558745563.db2.gz KGFHIZFJQKIYCG-HXUWFJFHSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941351 558745671 /nfs/dbraw/zinc/74/56/71/558745671.db2.gz KGFHIZFJQKIYCG-FQEVSTJZSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941396 558745616 /nfs/dbraw/zinc/74/56/16/558745616.db2.gz KYKMLZGHJJVSAM-HXUWFJFHSA-N 0 3 404.485 5.469 40 0 HKABHN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941399 558745656 /nfs/dbraw/zinc/74/56/56/558745656.db2.gz KYKMLZGHJJVSAM-FQEVSTJZSA-N 0 3 404.485 5.469 40 0 HKABHN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000030943416 558745829 /nfs/dbraw/zinc/74/58/29/558745829.db2.gz VZJSLJNVTLCUCC-UHFFFAOYSA-N 0 3 408.542 5.128 40 0 HKABHN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944158 558746234 /nfs/dbraw/zinc/74/62/34/558746234.db2.gz WCCFJGLHGDKCRO-HSZRJFAPSA-N 0 3 418.968 5.458 40 0 HKABHN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944161 558746204 /nfs/dbraw/zinc/74/62/04/558746204.db2.gz WCCFJGLHGDKCRO-QHCPKHFHSA-N 0 3 418.968 5.458 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)CC1 ZINC000030945651 558746181 /nfs/dbraw/zinc/74/61/81/558746181.db2.gz BAGRBUZOMBKVAJ-UHFFFAOYSA-N 0 3 411.760 6.131 40 0 HKABHN O=C(O[C@@]1(c2nccc3ccccc32)CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000031750136 558752151 /nfs/dbraw/zinc/75/21/51/558752151.db2.gz WJRVMNZDYSDDGO-NDEPHWFRSA-N 0 3 422.528 5.583 40 0 HKABHN O=C(O[C@]1(c2nccc3ccccc32)CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000031750140 558752121 /nfs/dbraw/zinc/75/21/21/558752121.db2.gz WJRVMNZDYSDDGO-MUUNZHRXSA-N 0 3 422.528 5.583 40 0 HKABHN CN(C)CCSC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2Cl)N(C)C1 ZINC000031772352 558752442 /nfs/dbraw/zinc/75/24/42/558752442.db2.gz HRCQJFNEZKBERH-HXUWFJFHSA-N 0 3 408.398 5.353 40 0 HKABHN CN(C)CCSC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2Cl)N(C)C1 ZINC000031772354 558752476 /nfs/dbraw/zinc/75/24/76/558752476.db2.gz HRCQJFNEZKBERH-FQEVSTJZSA-N 0 3 408.398 5.353 40 0 HKABHN CN(Cc1ccccc1)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000031938110 523343960 /nfs/dbraw/zinc/34/39/60/523343960.db2.gz SUKZMYOUEROBNF-RUZDIDTESA-N 0 3 402.925 5.721 40 0 HKABHN CC(C)C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000034024962 558772738 /nfs/dbraw/zinc/77/27/38/558772738.db2.gz IMTMMGXRAMGUDP-JHXDXHAQSA-N 0 3 424.544 5.135 40 0 HKABHN CC(C)C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000034024964 558772677 /nfs/dbraw/zinc/77/26/77/558772677.db2.gz IMTMMGXRAMGUDP-NXNJFABFSA-N 0 3 424.544 5.135 40 0 HKABHN O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000035310735 557685876 /nfs/dbraw/zinc/68/58/76/557685876.db2.gz SQOUZFIVLCUXOJ-SEJPIABJSA-N 0 3 401.510 5.264 40 0 HKABHN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cc2)n1 ZINC000035322619 569052303 /nfs/dbraw/zinc/05/23/03/569052303.db2.gz ZBJFDCXVKWFXPJ-IBGZPJMESA-N 0 3 402.542 5.116 40 0 HKABHN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cc2)n1 ZINC000035322622 569052313 /nfs/dbraw/zinc/05/23/13/569052313.db2.gz ZBJFDCXVKWFXPJ-LJQANCHMSA-N 0 3 402.542 5.116 40 0 HKABHN CC[C@@H](CO)NCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000036612288 558725287 /nfs/dbraw/zinc/72/52/87/558725287.db2.gz QWLHIGLOFCMZQQ-HNNXBMFYSA-N 0 3 418.748 5.095 40 0 HKABHN CC[C@H](CO)NCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000036612289 558725346 /nfs/dbraw/zinc/72/53/46/558725346.db2.gz QWLHIGLOFCMZQQ-OAHLLOKOSA-N 0 3 418.748 5.095 40 0 HKABHN CCNCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br ZINC000036612635 558728021 /nfs/dbraw/zinc/72/80/21/558728021.db2.gz SIYUSPLOXYTPBO-UHFFFAOYSA-N 0 3 419.146 5.453 40 0 HKABHN CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000036614567 558727736 /nfs/dbraw/zinc/72/77/36/558727736.db2.gz XGYONAAGJOZHRO-CDCUFJRJSA-N 0 3 407.554 5.172 40 0 HKABHN O=C(N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734728 558801136 /nfs/dbraw/zinc/80/11/36/558801136.db2.gz RJASJPPNRNWZKT-GMAHTHKFSA-N 0 3 411.977 5.137 40 0 HKABHN O=C(N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 ZINC000036734731 558801226 /nfs/dbraw/zinc/80/12/26/558801226.db2.gz RJASJPPNRNWZKT-GGAORHGYSA-N 0 3 411.977 5.137 40 0 HKABHN COc1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734735 558801153 /nfs/dbraw/zinc/80/11/53/558801153.db2.gz LZRSCGNUDVLUTL-URXFXBBRSA-N 0 3 423.601 5.129 40 0 HKABHN COc1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 ZINC000036734740 558801478 /nfs/dbraw/zinc/80/14/78/558801478.db2.gz LZRSCGNUDVLUTL-QPPBQGQZSA-N 0 3 423.601 5.129 40 0 HKABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(Cl)c1 ZINC000038755248 558814422 /nfs/dbraw/zinc/81/44/22/558814422.db2.gz GXDTUORRRQVAQM-UHFFFAOYSA-N 0 3 414.933 5.001 40 0 HKABHN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000038755674 558814528 /nfs/dbraw/zinc/81/45/28/558814528.db2.gz JDCPDJOHWXSJIJ-UHFFFAOYSA-N 0 3 408.586 5.068 40 0 HKABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833098 558817102 /nfs/dbraw/zinc/81/71/02/558817102.db2.gz RMEZXEZHPWSWCB-RUZDIDTESA-N 0 3 416.540 5.267 40 0 HKABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833099 558817080 /nfs/dbraw/zinc/81/70/80/558817080.db2.gz RMEZXEZHPWSWCB-VWLOTQADSA-N 0 3 416.540 5.267 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834397 558817606 /nfs/dbraw/zinc/81/76/06/558817606.db2.gz QPKWYFXYVRRURX-HXUWFJFHSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834398 558817568 /nfs/dbraw/zinc/81/75/68/558817568.db2.gz QPKWYFXYVRRURX-FQEVSTJZSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834401 558817654 /nfs/dbraw/zinc/81/76/54/558817654.db2.gz PTMVOFQIACKCIU-HXUWFJFHSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834402 558817649 /nfs/dbraw/zinc/81/76/49/558817649.db2.gz PTMVOFQIACKCIU-FQEVSTJZSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834415 558817643 /nfs/dbraw/zinc/81/76/43/558817643.db2.gz JXWAWYWWMZWKBL-HXUWFJFHSA-N 0 3 404.485 5.469 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834416 558817577 /nfs/dbraw/zinc/81/75/77/558817577.db2.gz JXWAWYWWMZWKBL-FQEVSTJZSA-N 0 3 404.485 5.469 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000038834434 558817684 /nfs/dbraw/zinc/81/76/84/558817684.db2.gz QSTYUSSWIWPGCK-UHFFFAOYSA-N 0 3 400.522 5.963 40 0 HKABHN O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836818 558818105 /nfs/dbraw/zinc/81/81/05/558818105.db2.gz PPMRFZWFPSLCHP-KRWDZBQOSA-N 0 3 423.409 5.114 40 0 HKABHN O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836821 558818097 /nfs/dbraw/zinc/81/80/97/558818097.db2.gz PPMRFZWFPSLCHP-QGZVFWFLSA-N 0 3 423.409 5.114 40 0 HKABHN O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848643 558818358 /nfs/dbraw/zinc/81/83/58/558818358.db2.gz PWAWRSINHIRKPX-INIZCTEOSA-N 0 3 411.760 5.175 40 0 HKABHN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848644 558818243 /nfs/dbraw/zinc/81/82/43/558818243.db2.gz PWAWRSINHIRKPX-MRXNPFEDSA-N 0 3 411.760 5.175 40 0 HKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038850577 558818939 /nfs/dbraw/zinc/81/89/39/558818939.db2.gz HBZCSHRZKUXEFG-AWEZNQCLSA-N 0 3 414.830 5.349 40 0 HKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038850579 558818899 /nfs/dbraw/zinc/81/88/99/558818899.db2.gz HBZCSHRZKUXEFG-CQSZACIVSA-N 0 3 414.830 5.349 40 0 HKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038850664 558818916 /nfs/dbraw/zinc/81/89/16/558818916.db2.gz OEPXIBYIWBDZGB-JOCHJYFZSA-N 0 3 418.512 5.255 40 0 HKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038850666 558818890 /nfs/dbraw/zinc/81/88/90/558818890.db2.gz OEPXIBYIWBDZGB-QFIPXVFZSA-N 0 3 418.512 5.255 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000038850695 558818894 /nfs/dbraw/zinc/81/88/94/558818894.db2.gz ZDWRTBBHNNKKID-UHFFFAOYSA-N 0 3 414.549 5.750 40 0 HKABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850857 558818844 /nfs/dbraw/zinc/81/88/44/558818844.db2.gz YEVVJHPXJRCLNJ-HSZRJFAPSA-N 0 3 410.989 5.033 40 0 HKABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850859 558818861 /nfs/dbraw/zinc/81/88/61/558818861.db2.gz YEVVJHPXJRCLNJ-QHCPKHFHSA-N 0 3 410.989 5.033 40 0 HKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038860746 558819545 /nfs/dbraw/zinc/81/95/45/558819545.db2.gz HCPZABJXATXVOG-FQEVSTJZSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038860749 558819609 /nfs/dbraw/zinc/81/96/09/558819609.db2.gz HCPZABJXATXVOG-HXUWFJFHSA-N 0 3 420.940 5.983 40 0 HKABHN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039744527 558686911 /nfs/dbraw/zinc/68/69/11/558686911.db2.gz JPYMMEJPXNSGGT-UHFFFAOYSA-N 0 3 420.553 5.828 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000039748152 558686831 /nfs/dbraw/zinc/68/68/31/558686831.db2.gz VLSDLIGZNDOBFW-UHFFFAOYSA-N 0 3 400.522 5.638 40 0 HKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000039748923 558687072 /nfs/dbraw/zinc/68/70/72/558687072.db2.gz PATJGAQPHMCSBB-UHFFFAOYSA-N 0 3 400.522 5.116 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC000039755240 558687574 /nfs/dbraw/zinc/68/75/74/558687574.db2.gz YRLSAEMMMWTVCF-UHFFFAOYSA-N 0 3 411.760 5.806 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000039755955 558687440 /nfs/dbraw/zinc/68/74/40/558687440.db2.gz HRGGKSMLWVMDEP-UHFFFAOYSA-N 0 3 400.522 5.638 40 0 HKABHN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc21 ZINC000039757351 558688479 /nfs/dbraw/zinc/68/84/79/558688479.db2.gz UUMWLJMKHPAVNW-UHFFFAOYSA-N 0 3 411.549 5.665 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)c1 ZINC000039758550 558689684 /nfs/dbraw/zinc/68/96/84/558689684.db2.gz HMVSIMDNDOQNAY-UHFFFAOYSA-N 0 3 421.766 5.262 40 0 HKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039758593 558689586 /nfs/dbraw/zinc/68/95/86/558689586.db2.gz ZYWLHNKIFGEZQZ-UHFFFAOYSA-N 0 3 404.485 5.469 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000039758757 558689724 /nfs/dbraw/zinc/68/97/24/558689724.db2.gz XCBVXORVYASVCT-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 ZINC000039758832 558689677 /nfs/dbraw/zinc/68/96/77/558689677.db2.gz FLAZHHZODBANMZ-UHFFFAOYSA-N 0 3 400.522 5.638 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000039759741 558689973 /nfs/dbraw/zinc/68/99/73/558689973.db2.gz JWKHFKMBCWMZOG-UHFFFAOYSA-N 0 3 400.522 5.638 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000039761001 558685436 /nfs/dbraw/zinc/68/54/36/558685436.db2.gz KTNVWZGLOIZHCO-UHFFFAOYSA-N 0 3 414.549 5.425 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000039767010 558686060 /nfs/dbraw/zinc/68/60/60/558686060.db2.gz GFEPYQCAXVWEJH-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000039767345 558686146 /nfs/dbraw/zinc/68/61/46/558686146.db2.gz JRZYLEUIPIBHMD-UHFFFAOYSA-N 0 3 416.540 5.267 40 0 HKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768011 558686190 /nfs/dbraw/zinc/68/61/90/558686190.db2.gz GMZDAGSUTYLILK-UHFFFAOYSA-N 0 3 418.512 5.255 40 0 HKABHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768221 558686385 /nfs/dbraw/zinc/68/63/85/558686385.db2.gz PZHITNLRYJPNNA-UHFFFAOYSA-N 0 3 414.830 5.349 40 0 HKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039773217 558686525 /nfs/dbraw/zinc/68/65/25/558686525.db2.gz OQTMKQWHJHXTJG-UHFFFAOYSA-N 0 3 414.830 5.349 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 ZINC000039773351 558686658 /nfs/dbraw/zinc/68/66/58/558686658.db2.gz LAJWZCYCGKRNLK-UHFFFAOYSA-N 0 3 410.867 5.518 40 0 HKABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000043277797 524440510 /nfs/dbraw/zinc/44/05/10/524440510.db2.gz BWIWNPBUQAWNIU-UHFFFAOYSA-N 0 3 404.341 5.291 40 0 HKABHN CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044851639 520474797 /nfs/dbraw/zinc/47/47/97/520474797.db2.gz PEVMIRSQLXVBMS-UHFFFAOYSA-N 0 3 408.586 5.070 40 0 HKABHN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855275 526207322 /nfs/dbraw/zinc/20/73/22/526207322.db2.gz HKGXSUPLOVCWHO-HSZRJFAPSA-N 0 3 406.570 5.259 40 0 HKABHN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855276 526189480 /nfs/dbraw/zinc/18/94/80/526189480.db2.gz HKGXSUPLOVCWHO-QHCPKHFHSA-N 0 3 406.570 5.259 40 0 HKABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044855425 526173540 /nfs/dbraw/zinc/17/35/40/526173540.db2.gz WEGBNGXACATARR-QHCPKHFHSA-N 0 3 406.570 5.259 40 0 HKABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044855426 526173851 /nfs/dbraw/zinc/17/38/51/526173851.db2.gz WEGBNGXACATARR-HSZRJFAPSA-N 0 3 406.570 5.259 40 0 HKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856565 522532079 /nfs/dbraw/zinc/53/20/79/522532079.db2.gz VTHZOTYILVZLNB-MHZLTWQESA-N 0 3 412.577 5.743 40 0 HKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 ZINC000044856566 522782751 /nfs/dbraw/zinc/78/27/51/522782751.db2.gz VTHZOTYILVZLNB-HHHXNRCGSA-N 0 3 412.577 5.743 40 0 HKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856723 522532388 /nfs/dbraw/zinc/53/23/88/522532388.db2.gz WXWRYKBGUHYHQD-MHZLTWQESA-N 0 3 412.577 5.743 40 0 HKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1C ZINC000044856724 522782467 /nfs/dbraw/zinc/78/24/67/522782467.db2.gz WXWRYKBGUHYHQD-HHHXNRCGSA-N 0 3 412.577 5.743 40 0 HKABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905989 525138377 /nfs/dbraw/zinc/13/83/77/525138377.db2.gz REZZNYQNGPCGNY-GHTZIAJQSA-N 0 3 413.005 5.727 40 0 HKABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905991 525268116 /nfs/dbraw/zinc/26/81/16/525268116.db2.gz REZZNYQNGPCGNY-WIYYLYMNSA-N 0 3 413.005 5.727 40 0 HKABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905993 569352065 /nfs/dbraw/zinc/35/20/65/569352065.db2.gz REZZNYQNGPCGNY-RXVVDRJESA-N 0 3 413.005 5.727 40 0 HKABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 ZINC000044905995 569352093 /nfs/dbraw/zinc/35/20/93/569352093.db2.gz REZZNYQNGPCGNY-NQIIRXRSSA-N 0 3 413.005 5.727 40 0 HKABHN O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044906296 526279341 /nfs/dbraw/zinc/27/93/41/526279341.db2.gz PNUHWCTVBXMHRQ-UHFFFAOYSA-N 0 3 418.968 5.261 40 0 HKABHN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044906429 526272631 /nfs/dbraw/zinc/27/26/31/526272631.db2.gz XLIHTGDFRULCFF-UHFFFAOYSA-N 0 3 418.968 5.261 40 0 HKABHN Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000044915820 525134854 /nfs/dbraw/zinc/13/48/54/525134854.db2.gz VCECMQZQJIBGEZ-UHFFFAOYSA-N 0 3 412.533 5.077 40 0 HKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)c1 ZINC000044915824 524386826 /nfs/dbraw/zinc/38/68/26/524386826.db2.gz XZSLHWFBXRXVQF-UHFFFAOYSA-N 0 3 412.533 5.077 40 0 HKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000044915828 524438497 /nfs/dbraw/zinc/43/84/97/524438497.db2.gz JHSMPLRETDRTBG-UHFFFAOYSA-N 0 3 412.533 5.077 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1 ZINC000044915920 521025614 /nfs/dbraw/zinc/02/56/14/521025614.db2.gz CIXGFOBRSTVDJU-UHFFFAOYSA-N 0 3 412.533 5.402 40 0 HKABHN CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000044916240 519782743 /nfs/dbraw/zinc/78/27/43/519782743.db2.gz OYRWWBMIRLWEDG-UHFFFAOYSA-N 0 3 408.586 5.068 40 0 HKABHN O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044917059 527246064 /nfs/dbraw/zinc/24/60/64/527246064.db2.gz AOGFYBYDQNIODI-IBGZPJMESA-N 0 3 412.961 5.512 40 0 HKABHN O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044917064 527244540 /nfs/dbraw/zinc/24/45/40/527244540.db2.gz AOGFYBYDQNIODI-LJQANCHMSA-N 0 3 412.961 5.512 40 0 HKABHN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044933878 521222301 /nfs/dbraw/zinc/22/23/01/521222301.db2.gz FSAVPHWIRKWHAV-HXUWFJFHSA-N 0 3 414.549 5.135 40 0 HKABHN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044933881 521256477 /nfs/dbraw/zinc/25/64/77/521256477.db2.gz FSAVPHWIRKWHAV-FQEVSTJZSA-N 0 3 414.549 5.135 40 0 HKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936482 522531780 /nfs/dbraw/zinc/53/17/80/522531780.db2.gz YIZBLLGBTGKNPO-SANMLTNESA-N 0 3 414.549 5.135 40 0 HKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 ZINC000044936485 522782684 /nfs/dbraw/zinc/78/26/84/522782684.db2.gz YIZBLLGBTGKNPO-AREMUKBSSA-N 0 3 414.549 5.135 40 0 HKABHN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000044937241 525345673 /nfs/dbraw/zinc/34/56/73/525345673.db2.gz KTOJGGBXVUOWDC-VWLOTQADSA-N 0 3 408.586 5.119 40 0 HKABHN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000044937244 525174100 /nfs/dbraw/zinc/17/41/00/525174100.db2.gz KTOJGGBXVUOWDC-RUZDIDTESA-N 0 3 408.586 5.119 40 0 HKABHN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000044937247 525345753 /nfs/dbraw/zinc/34/57/53/525345753.db2.gz WEZWNVFSVHXFNL-VWLOTQADSA-N 0 3 408.586 5.119 40 0 HKABHN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000044937250 525173137 /nfs/dbraw/zinc/17/31/37/525173137.db2.gz WEZWNVFSVHXFNL-RUZDIDTESA-N 0 3 408.586 5.119 40 0 HKABHN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Cl ZINC000044939697 521442121 /nfs/dbraw/zinc/44/21/21/521442121.db2.gz DVLHFQYACVDYFD-UHFFFAOYSA-N 0 3 414.933 5.001 40 0 HKABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2cccs2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171560 291288480 /nfs/dbraw/zinc/28/84/80/291288480.db2.gz DHMVCFLWCOPWNK-VXKWHMMOSA-N 0 3 421.610 5.031 40 0 biogenic,in-vitro HKABHN c1ccc(C2=C[C@H](NC34CC5CC(CC(C5)C3)C4)n3c4ccccc4nc3S2)cc1 ZINC000057576171 558889268 /nfs/dbraw/zinc/88/92/68/558889268.db2.gz QOFFTRXDOYSPKN-YSRWDZFWSA-N 0 3 413.590 6.240 40 0 HKABHN c1ccc(C2=C[C@@H](NC34CC5CC(CC(C5)C3)C4)n3c4ccccc4nc3S2)cc1 ZINC000057576175 558889209 /nfs/dbraw/zinc/88/92/09/558889209.db2.gz QOFFTRXDOYSPKN-XJVZSZGSSA-N 0 3 413.590 6.240 40 0 HKABHN COc1c(C)cccc1CN1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774456 568497497 /nfs/dbraw/zinc/49/74/97/568497497.db2.gz XWIWNSJKYYQGFI-HNNXBMFYSA-N 0 3 419.447 5.247 40 0 HKABHN COc1c(C)cccc1CN1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000057774457 568497456 /nfs/dbraw/zinc/49/74/56/568497456.db2.gz XWIWNSJKYYQGFI-OAHLLOKOSA-N 0 3 419.447 5.247 40 0 HKABHN CC(C)c1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774802 568497404 /nfs/dbraw/zinc/49/74/04/568497404.db2.gz CGJGZEUKMNJJMJ-NOZRDPDXSA-N 0 3 421.629 5.853 40 0 HKABHN CC(C)c1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000057774806 568497439 /nfs/dbraw/zinc/49/74/39/568497439.db2.gz CGJGZEUKMNJJMJ-ZCYQVOJMSA-N 0 3 421.629 5.853 40 0 HKABHN CC(=O)N(C)C1CCC2(CC1)CN(C/C(C)=C\c1ccccc1)Cc1ccccc1O2 ZINC000057775401 569053732 /nfs/dbraw/zinc/05/37/32/569053732.db2.gz FUCAIUUHJNOCSC-FXBPSFAMSA-N 0 3 418.581 5.144 40 0 HKABHN CC(C)(NC(=O)c1c(F)cccc1NCCN1CCCCC1)c1cccc(Cl)c1 ZINC000066089362 568940768 /nfs/dbraw/zinc/94/07/68/568940768.db2.gz AWMOZVYIJQIDRV-UHFFFAOYSA-N 0 3 417.956 5.042 40 0 HKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214547 559168348 /nfs/dbraw/zinc/16/83/48/559168348.db2.gz APBKRMQOYMSBRA-QFIPXVFZSA-N 0 3 409.574 5.816 40 0 HKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214548 559168290 /nfs/dbraw/zinc/16/82/90/559168290.db2.gz APBKRMQOYMSBRA-JOCHJYFZSA-N 0 3 409.574 5.816 40 0 HKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214584 559168345 /nfs/dbraw/zinc/16/83/45/559168345.db2.gz RFZBXWIERCMQNQ-QHCPKHFHSA-N 0 3 423.601 6.206 40 0 HKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214585 559168338 /nfs/dbraw/zinc/16/83/38/559168338.db2.gz RFZBXWIERCMQNQ-HSZRJFAPSA-N 0 3 423.601 6.206 40 0 HKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214704 559168438 /nfs/dbraw/zinc/16/84/38/559168438.db2.gz GWWJUKROMPTCCU-QFIPXVFZSA-N 0 3 409.574 5.960 40 0 HKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214705 559168420 /nfs/dbraw/zinc/16/84/20/559168420.db2.gz GWWJUKROMPTCCU-JOCHJYFZSA-N 0 3 409.574 5.960 40 0 HKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214884 559168608 /nfs/dbraw/zinc/16/86/08/559168608.db2.gz XOTYMNDGHAVWSK-QFIPXVFZSA-N 0 3 409.574 5.959 40 0 HKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214885 559168657 /nfs/dbraw/zinc/16/86/57/559168657.db2.gz XOTYMNDGHAVWSK-JOCHJYFZSA-N 0 3 409.574 5.959 40 0 HKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214967 559168637 /nfs/dbraw/zinc/16/86/37/559168637.db2.gz IUMZVCNXUXNRNG-QFIPXVFZSA-N 0 3 409.574 5.960 40 0 HKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214968 559168566 /nfs/dbraw/zinc/16/85/66/559168566.db2.gz IUMZVCNXUXNRNG-JOCHJYFZSA-N 0 3 409.574 5.960 40 0 HKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215004 559168643 /nfs/dbraw/zinc/16/86/43/559168643.db2.gz MBQYIFKVTRPWOF-QHCPKHFHSA-N 0 3 423.601 6.350 40 0 HKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215005 559168676 /nfs/dbraw/zinc/16/86/76/559168676.db2.gz MBQYIFKVTRPWOF-HSZRJFAPSA-N 0 3 423.601 6.350 40 0 HKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215095 559168718 /nfs/dbraw/zinc/16/87/18/559168718.db2.gz QJCVYZGPSKUYCK-KNQAVFIVSA-N 0 3 409.574 5.959 40 0 HKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215096 559168746 /nfs/dbraw/zinc/16/87/46/559168746.db2.gz QJCVYZGPSKUYCK-UGKGYDQZSA-N 0 3 409.574 5.959 40 0 HKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215097 559168688 /nfs/dbraw/zinc/16/86/88/559168688.db2.gz QJCVYZGPSKUYCK-DENIHFKCSA-N 0 3 409.574 5.959 40 0 HKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215098 559168723 /nfs/dbraw/zinc/16/87/23/559168723.db2.gz QJCVYZGPSKUYCK-SIKLNZKXSA-N 0 3 409.574 5.959 40 0 HKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215161 559168733 /nfs/dbraw/zinc/16/87/33/559168733.db2.gz YLNOEWZPHUJGPW-OFNKIYASSA-N 0 3 423.601 6.349 40 0 HKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215162 559168728 /nfs/dbraw/zinc/16/87/28/559168728.db2.gz YLNOEWZPHUJGPW-REWPJTCUSA-N 0 3 423.601 6.349 40 0 HKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215163 559168707 /nfs/dbraw/zinc/16/87/07/559168707.db2.gz YLNOEWZPHUJGPW-NFBKMPQASA-N 0 3 423.601 6.349 40 0 HKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215164 559168714 /nfs/dbraw/zinc/16/87/14/559168714.db2.gz YLNOEWZPHUJGPW-NZQKXSOJSA-N 0 3 423.601 6.349 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CC1 ZINC000072215348 559168840 /nfs/dbraw/zinc/16/88/40/559168840.db2.gz BGZCNRBXNRELBS-QFIPXVFZSA-N 0 3 407.558 5.713 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CC1 ZINC000072215349 559168826 /nfs/dbraw/zinc/16/88/26/559168826.db2.gz BGZCNRBXNRELBS-JOCHJYFZSA-N 0 3 407.558 5.713 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCC1 ZINC000072215431 559168998 /nfs/dbraw/zinc/16/89/98/559168998.db2.gz RNYWBNLBUCFFHW-QFIPXVFZSA-N 0 3 407.558 5.713 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCC1 ZINC000072215432 559169031 /nfs/dbraw/zinc/16/90/31/559169031.db2.gz RNYWBNLBUCFFHW-JOCHJYFZSA-N 0 3 407.558 5.713 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCC1 ZINC000072215468 559169051 /nfs/dbraw/zinc/16/90/51/559169051.db2.gz JDMSZGZHLNNEGR-QHCPKHFHSA-N 0 3 421.585 6.103 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCC1 ZINC000072215469 559169021 /nfs/dbraw/zinc/16/90/21/559169021.db2.gz JDMSZGZHLNNEGR-HSZRJFAPSA-N 0 3 421.585 6.103 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215551 559169015 /nfs/dbraw/zinc/16/90/15/559169015.db2.gz ILGCBPMVGXTRJD-QHCPKHFHSA-N 0 3 421.585 6.103 40 0 HKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215552 559169038 /nfs/dbraw/zinc/16/90/38/559169038.db2.gz ILGCBPMVGXTRJD-HSZRJFAPSA-N 0 3 421.585 6.103 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215584 559169027 /nfs/dbraw/zinc/16/90/27/559169027.db2.gz RZIGLTZGQONSIA-OAQYLSRUSA-N 0 3 401.595 5.949 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215585 559169047 /nfs/dbraw/zinc/16/90/47/559169047.db2.gz RZIGLTZGQONSIA-NRFANRHFSA-N 0 3 401.595 5.949 40 0 HKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215586 559169024 /nfs/dbraw/zinc/16/90/24/559169024.db2.gz SBWORMDCTVQUAT-OAQYLSRUSA-N 0 3 401.595 6.093 40 0 HKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215587 559169059 /nfs/dbraw/zinc/16/90/59/559169059.db2.gz SBWORMDCTVQUAT-NRFANRHFSA-N 0 3 401.595 6.093 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215644 559168072 /nfs/dbraw/zinc/16/80/72/559168072.db2.gz SZGAZVURCJZWAN-OAQYLSRUSA-N 0 3 401.595 5.949 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215645 559168095 /nfs/dbraw/zinc/16/80/95/559168095.db2.gz SZGAZVURCJZWAN-NRFANRHFSA-N 0 3 401.595 5.949 40 0 HKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215646 559168137 /nfs/dbraw/zinc/16/81/37/559168137.db2.gz KMOOMOBSZVAQSD-OAQYLSRUSA-N 0 3 401.595 6.093 40 0 HKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215647 559168132 /nfs/dbraw/zinc/16/81/32/559168132.db2.gz KMOOMOBSZVAQSD-NRFANRHFSA-N 0 3 401.595 6.093 40 0 HKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215687 559169279 /nfs/dbraw/zinc/16/92/79/559169279.db2.gz CILNYRSNRYYRKX-OAQYLSRUSA-N 0 3 401.595 6.093 40 0 HKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215688 559169292 /nfs/dbraw/zinc/16/92/92/559169292.db2.gz CILNYRSNRYYRKX-NRFANRHFSA-N 0 3 401.595 6.093 40 0 HKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215700 559169288 /nfs/dbraw/zinc/16/92/88/559169288.db2.gz WACHZPQBFBQTBN-OAQYLSRUSA-N 0 3 401.595 6.093 40 0 HKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215701 559169285 /nfs/dbraw/zinc/16/92/85/559169285.db2.gz WACHZPQBFBQTBN-NRFANRHFSA-N 0 3 401.595 6.093 40 0 HKABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215702 559169271 /nfs/dbraw/zinc/16/92/71/559169271.db2.gz OUSAIQCYNGJIPJ-OAQYLSRUSA-N 0 3 401.595 6.091 40 0 HKABHN CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215703 559169252 /nfs/dbraw/zinc/16/92/52/559169252.db2.gz OUSAIQCYNGJIPJ-NRFANRHFSA-N 0 3 401.595 6.091 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215704 559169300 /nfs/dbraw/zinc/16/93/00/559169300.db2.gz RNRWWRZIBNYKTO-JOCHJYFZSA-N 0 3 415.622 6.339 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215705 559169248 /nfs/dbraw/zinc/16/92/48/559169248.db2.gz RNRWWRZIBNYKTO-QFIPXVFZSA-N 0 3 415.622 6.339 40 0 HKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215706 559169282 /nfs/dbraw/zinc/16/92/82/559169282.db2.gz TYEALSICYUYGKM-JOCHJYFZSA-N 0 3 415.622 6.483 40 0 HKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215707 559169255 /nfs/dbraw/zinc/16/92/55/559169255.db2.gz TYEALSICYUYGKM-QFIPXVFZSA-N 0 3 415.622 6.483 40 0 HKABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215745 559169267 /nfs/dbraw/zinc/16/92/67/559169267.db2.gz CBWFRCUHRYGKHK-OAQYLSRUSA-N 0 3 401.595 5.949 40 0 HKABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215746 559169297 /nfs/dbraw/zinc/16/92/97/559169297.db2.gz CBWFRCUHRYGKHK-NRFANRHFSA-N 0 3 401.595 5.949 40 0 HKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215747 559169304 /nfs/dbraw/zinc/16/93/04/559169304.db2.gz ZKKGOMOUZIHGAP-OAQYLSRUSA-N 0 3 401.595 6.093 40 0 HKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215748 559169433 /nfs/dbraw/zinc/16/94/33/559169433.db2.gz ZKKGOMOUZIHGAP-NRFANRHFSA-N 0 3 401.595 6.093 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215764 559169376 /nfs/dbraw/zinc/16/93/76/559169376.db2.gz XXJZEGKQCWFINV-JOCHJYFZSA-N 0 3 415.622 6.339 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215765 559169371 /nfs/dbraw/zinc/16/93/71/559169371.db2.gz XXJZEGKQCWFINV-QFIPXVFZSA-N 0 3 415.622 6.339 40 0 HKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215766 559169460 /nfs/dbraw/zinc/16/94/60/559169460.db2.gz KYZQOFNHZDVXNK-JOCHJYFZSA-N 0 3 415.622 6.483 40 0 HKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215767 559169407 /nfs/dbraw/zinc/16/94/07/559169407.db2.gz KYZQOFNHZDVXNK-QFIPXVFZSA-N 0 3 415.622 6.483 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215824 559169398 /nfs/dbraw/zinc/16/93/98/559169398.db2.gz NDYAUYQDFQXWKI-JOCHJYFZSA-N 0 3 409.574 6.338 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215825 559169469 /nfs/dbraw/zinc/16/94/69/559169469.db2.gz NDYAUYQDFQXWKI-QFIPXVFZSA-N 0 3 409.574 6.338 40 0 HKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215826 559169474 /nfs/dbraw/zinc/16/94/74/559169474.db2.gz WZRQOJMCPBDVJC-JOCHJYFZSA-N 0 3 409.574 6.482 40 0 HKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215827 559169365 /nfs/dbraw/zinc/16/93/65/559169365.db2.gz WZRQOJMCPBDVJC-QFIPXVFZSA-N 0 3 409.574 6.482 40 0 HKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215884 559169382 /nfs/dbraw/zinc/16/93/82/559169382.db2.gz NSKMXUWLQCRZEE-JOCHJYFZSA-N 0 3 409.574 6.338 40 0 HKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215885 559169422 /nfs/dbraw/zinc/16/94/22/559169422.db2.gz NSKMXUWLQCRZEE-QFIPXVFZSA-N 0 3 409.574 6.338 40 0 HKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215886 559169428 /nfs/dbraw/zinc/16/94/28/559169428.db2.gz UDNHLCGPKWEALV-JOCHJYFZSA-N 0 3 409.574 6.482 40 0 HKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215887 559169464 /nfs/dbraw/zinc/16/94/64/559169464.db2.gz UDNHLCGPKWEALV-QFIPXVFZSA-N 0 3 409.574 6.482 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4ccccc4F)n3)CC2)cc1 ZINC000072349935 558946975 /nfs/dbraw/zinc/94/69/75/558946975.db2.gz KYYSQGCKVISLKN-UHFFFAOYSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349936 559185503 /nfs/dbraw/zinc/18/55/03/559185503.db2.gz ICYJKOOMTDJHQN-QFIPXVFZSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349937 559185441 /nfs/dbraw/zinc/18/54/41/559185441.db2.gz ICYJKOOMTDJHQN-JOCHJYFZSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000072349938 558946842 /nfs/dbraw/zinc/94/68/42/558946842.db2.gz REXYICJSQXCHAX-UHFFFAOYSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 ZINC000072349941 558946895 /nfs/dbraw/zinc/94/68/95/558946895.db2.gz IGUVBOGJOHZFLF-UHFFFAOYSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349942 558946981 /nfs/dbraw/zinc/94/69/81/558946981.db2.gz IMDBENBAJWYEJI-QFIPXVFZSA-N 0 3 417.528 5.150 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349943 558946968 /nfs/dbraw/zinc/94/69/68/558946968.db2.gz IMDBENBAJWYEJI-JOCHJYFZSA-N 0 3 417.528 5.150 40 0 HKABHN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000072352490 558948924 /nfs/dbraw/zinc/94/89/24/558948924.db2.gz RMATXIAXRNDATK-GOSISDBHSA-N 0 3 415.562 5.141 40 0 HKABHN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000072352491 558948935 /nfs/dbraw/zinc/94/89/35/558948935.db2.gz RMATXIAXRNDATK-SFHVURJKSA-N 0 3 415.562 5.141 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353462 558950420 /nfs/dbraw/zinc/95/04/20/558950420.db2.gz MAEKXJYLSHDKNJ-OAQYLSRUSA-N 0 3 418.589 5.302 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353463 558950451 /nfs/dbraw/zinc/95/04/51/558950451.db2.gz MAEKXJYLSHDKNJ-NRFANRHFSA-N 0 3 418.589 5.302 40 0 HKABHN Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccc3nccnc3c2)n1 ZINC000072358072 558953717 /nfs/dbraw/zinc/95/37/17/558953717.db2.gz LXQYSHRWPXUIMH-VWLOTQADSA-N 0 3 414.940 5.606 40 0 HKABHN Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccc3nccnc3c2)n1 ZINC000072358073 558953777 /nfs/dbraw/zinc/95/37/77/558953777.db2.gz LXQYSHRWPXUIMH-RUZDIDTESA-N 0 3 414.940 5.606 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358110 558953795 /nfs/dbraw/zinc/95/37/95/558953795.db2.gz XRMPNKCIOMUDPL-RUZDIDTESA-N 0 3 403.501 5.107 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072358111 558953866 /nfs/dbraw/zinc/95/38/66/558953866.db2.gz XRMPNKCIOMUDPL-VWLOTQADSA-N 0 3 403.501 5.107 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358116 558953804 /nfs/dbraw/zinc/95/38/04/558953804.db2.gz JCBMFZFGBPVNII-RUZDIDTESA-N 0 3 419.956 5.621 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072358117 558953912 /nfs/dbraw/zinc/95/39/12/558953912.db2.gz JCBMFZFGBPVNII-VWLOTQADSA-N 0 3 419.956 5.621 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358118 558953816 /nfs/dbraw/zinc/95/38/16/558953816.db2.gz JLSGLKQCWUPXDC-RUZDIDTESA-N 0 3 419.956 5.621 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072358119 558953890 /nfs/dbraw/zinc/95/38/90/558953890.db2.gz JLSGLKQCWUPXDC-VWLOTQADSA-N 0 3 419.956 5.621 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359047 558954707 /nfs/dbraw/zinc/95/47/07/558954707.db2.gz PKURZKJGPZWNPI-FQEVSTJZSA-N 0 3 420.944 5.135 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072359048 558954717 /nfs/dbraw/zinc/95/47/17/558954717.db2.gz PKURZKJGPZWNPI-HXUWFJFHSA-N 0 3 420.944 5.135 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000072359720 558955402 /nfs/dbraw/zinc/95/54/02/558955402.db2.gz WSKKXVOETVALFD-UHFFFAOYSA-N 0 3 420.944 5.135 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359721 558955351 /nfs/dbraw/zinc/95/53/51/558955351.db2.gz FTAXIIBXSLIIBK-FQEVSTJZSA-N 0 3 420.944 5.135 40 0 HKABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000072359722 558955390 /nfs/dbraw/zinc/95/53/90/558955390.db2.gz FTAXIIBXSLIIBK-HXUWFJFHSA-N 0 3 420.944 5.135 40 0 HKABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cnc(C)s1 ZINC000072370701 558957206 /nfs/dbraw/zinc/95/72/06/558957206.db2.gz WYKWYCMITUIUPB-MRXNPFEDSA-N 0 3 413.612 5.013 40 0 HKABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cnc(C)s1 ZINC000072370702 558957223 /nfs/dbraw/zinc/95/72/23/558957223.db2.gz WYKWYCMITUIUPB-INIZCTEOSA-N 0 3 413.612 5.013 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372710 558960657 /nfs/dbraw/zinc/96/06/57/558960657.db2.gz DQNLRFZMJCMSMB-QHCPKHFHSA-N 0 3 404.562 5.260 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)n1 ZINC000072372711 558960595 /nfs/dbraw/zinc/96/05/95/558960595.db2.gz DQNLRFZMJCMSMB-HSZRJFAPSA-N 0 3 404.562 5.260 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374326 558961761 /nfs/dbraw/zinc/96/17/61/558961761.db2.gz HQYWZGCVCALWRV-UHFFFAOYSA-N 0 3 418.589 5.302 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 ZINC000072374327 558961693 /nfs/dbraw/zinc/96/16/93/558961693.db2.gz YJPBMJVKKLHONC-UHFFFAOYSA-N 0 3 418.589 5.302 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374809 558962795 /nfs/dbraw/zinc/96/27/95/558962795.db2.gz ZZKVGBNZZRTVJR-HSZRJFAPSA-N 0 3 420.576 5.504 40 0 HKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072374810 558962718 /nfs/dbraw/zinc/96/27/18/558962718.db2.gz ZZKVGBNZZRTVJR-QHCPKHFHSA-N 0 3 420.576 5.504 40 0 HKABHN Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375357 558964037 /nfs/dbraw/zinc/96/40/37/558964037.db2.gz PADCOQFEVOFYFF-NRFANRHFSA-N 0 3 401.539 5.475 40 0 HKABHN Cc1csc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 ZINC000072375358 558964062 /nfs/dbraw/zinc/96/40/62/558964062.db2.gz PADCOQFEVOFYFF-OAQYLSRUSA-N 0 3 401.539 5.475 40 0 HKABHN Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375359 558964045 /nfs/dbraw/zinc/96/40/45/558964045.db2.gz BHOBXWUIARXLEN-NRFANRHFSA-N 0 3 401.539 5.475 40 0 HKABHN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)s1 ZINC000072375360 558963954 /nfs/dbraw/zinc/96/39/54/558963954.db2.gz BHOBXWUIARXLEN-OAQYLSRUSA-N 0 3 401.539 5.475 40 0 HKABHN Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cccc4ncccc34)n2)s1 ZINC000072375741 558964692 /nfs/dbraw/zinc/96/46/92/558964692.db2.gz OSQVHLCXTXCXOU-NRFANRHFSA-N 0 3 401.539 5.475 40 0 HKABHN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cccc4ncccc34)n2)s1 ZINC000072375742 558964582 /nfs/dbraw/zinc/96/45/82/558964582.db2.gz OSQVHLCXTXCXOU-OAQYLSRUSA-N 0 3 401.539 5.475 40 0 HKABHN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377289 558966725 /nfs/dbraw/zinc/96/67/25/558966725.db2.gz WZXARPNQEVDIPW-QFIPXVFZSA-N 0 3 401.489 5.073 40 0 HKABHN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 ZINC000072377290 558966687 /nfs/dbraw/zinc/96/66/87/558966687.db2.gz WZXARPNQEVDIPW-JOCHJYFZSA-N 0 3 401.489 5.073 40 0 HKABHN COc1ccc2nc(CN3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)ccc2c1 ZINC000072389942 558970271 /nfs/dbraw/zinc/97/02/71/558970271.db2.gz OYXCGZIMKSLHNW-UHFFFAOYSA-N 0 3 420.538 5.043 40 0 HKABHN Cc1sc2c([C@@H]3CCCN(CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390983 558970936 /nfs/dbraw/zinc/97/09/36/558970936.db2.gz MNFWJMKPJRSCGI-HXUWFJFHSA-N 0 3 422.598 5.282 40 0 HKABHN Cc1sc2c([C@H]3CCCN(CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C ZINC000072390984 558970921 /nfs/dbraw/zinc/97/09/21/558970921.db2.gz MNFWJMKPJRSCGI-FQEVSTJZSA-N 0 3 422.598 5.282 40 0 HKABHN CCc1c(C)noc1-c1snnc1C1CCN(CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000072392669 558972329 /nfs/dbraw/zinc/97/23/29/558972329.db2.gz CLMXOLKKXXTRIJ-CQSZACIVSA-N 0 3 414.575 5.339 40 0 HKABHN CCc1c(C)noc1-c1snnc1C1CCN(CC[C@H](C)c2ccc(C)o2)CC1 ZINC000072392670 558972306 /nfs/dbraw/zinc/97/23/06/558972306.db2.gz CLMXOLKKXXTRIJ-AWEZNQCLSA-N 0 3 414.575 5.339 40 0 HKABHN CC(C)c1[nH]c2ncccc2c1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072393352 558972796 /nfs/dbraw/zinc/97/27/96/558972796.db2.gz SSYWELCRYOVMDY-UHFFFAOYSA-N 0 3 417.475 5.189 40 0 HKABHN FC(F)(F)c1[nH]c2ncccc2c1CN(CCc1ccccc1)Cc1ccncc1 ZINC000072393705 558972939 /nfs/dbraw/zinc/97/29/39/558972939.db2.gz OQEHNFLJRZWLFL-UHFFFAOYSA-N 0 3 410.443 5.222 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398590 558975981 /nfs/dbraw/zinc/97/59/81/558975981.db2.gz LBQAWOAUZJZLPY-QMNSUMBQSA-N 0 3 405.586 5.101 40 0 HKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398591 558976053 /nfs/dbraw/zinc/97/60/53/558976053.db2.gz LBQAWOAUZJZLPY-XMGXTHMBSA-N 0 3 405.586 5.101 40 0 HKABHN COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccn4)C=C3C)nc2c1 ZINC000077262135 291295606 /nfs/dbraw/zinc/29/56/06/291295606.db2.gz OQHGIRZNSZXTQS-JTAQYXEDSA-N 0 3 418.585 5.153 40 0 biogenic,in-vitro HKABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)s1 ZINC000096038200 559091819 /nfs/dbraw/zinc/09/18/19/559091819.db2.gz ODDMGRFIXVGSFW-UHFFFAOYSA-N 0 3 406.530 5.285 40 0 HKABHN Fc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 ZINC000096038201 559091839 /nfs/dbraw/zinc/09/18/39/559091839.db2.gz VFDBXWJHLYKCBV-UHFFFAOYSA-N 0 3 404.464 5.054 40 0 HKABHN COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(C)s5)CC4)nn3c2)c1 ZINC000096038224 559091905 /nfs/dbraw/zinc/09/19/05/559091905.db2.gz URQYUOPMUQPAOW-UHFFFAOYSA-N 0 3 418.566 5.154 40 0 HKABHN Cc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)s1 ZINC000096038321 559091965 /nfs/dbraw/zinc/09/19/65/559091965.db2.gz YIGZKCPZLLHOQZ-UHFFFAOYSA-N 0 3 403.555 5.222 40 0 HKABHN Cc1ccc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)s1 ZINC000096052531 559092322 /nfs/dbraw/zinc/09/23/22/559092322.db2.gz KIPRAKDQZMSQKY-UHFFFAOYSA-N 0 3 402.563 5.137 40 0 HKABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096053043 559092875 /nfs/dbraw/zinc/09/28/75/559092875.db2.gz YLBDDEIZPWLBIZ-OAQYLSRUSA-N 0 3 408.561 5.105 40 0 HKABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096053044 559092909 /nfs/dbraw/zinc/09/29/09/559092909.db2.gz YLBDDEIZPWLBIZ-NRFANRHFSA-N 0 3 408.561 5.105 40 0 HKABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 ZINC000096053389 559093332 /nfs/dbraw/zinc/09/33/32/559093332.db2.gz JMEQMJPCZBKLTJ-IBGZPJMESA-N 0 3 424.610 5.016 40 0 HKABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 ZINC000096053390 559093352 /nfs/dbraw/zinc/09/33/52/559093352.db2.gz JMEQMJPCZBKLTJ-LJQANCHMSA-N 0 3 424.610 5.016 40 0 HKABHN Cn1cnc2c1cc(C1CCN(Cc3ccccc3Cl)CC1)nc2-c1cccnc1 ZINC000096062756 559094294 /nfs/dbraw/zinc/09/42/94/559094294.db2.gz HPKXWJGBRUZLFQ-UHFFFAOYSA-N 0 3 417.944 5.063 40 0 HKABHN COc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1 ZINC000096099930 559095209 /nfs/dbraw/zinc/09/52/09/559095209.db2.gz FNPZWXKGLPYMEI-UHFFFAOYSA-N 0 3 412.537 5.024 40 0 HKABHN COc1ccc(-c2nc(C3CCN(Cc4cccs4)CC3)cc3c2ncn3C)cc1 ZINC000096099977 559095240 /nfs/dbraw/zinc/09/52/40/559095240.db2.gz UIMKVRUCPWUSAI-UHFFFAOYSA-N 0 3 418.566 5.085 40 0 HKABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)s1 ZINC000096099995 559095284 /nfs/dbraw/zinc/09/52/84/559095284.db2.gz KWUZAVWSINEVRS-UHFFFAOYSA-N 0 3 423.630 5.362 40 0 HKABHN CC(C)n1cnc2c1cc(C1CCN(Cc3cccs3)CC1)nc2-c1cccnc1 ZINC000096100007 559095266 /nfs/dbraw/zinc/09/52/66/559095266.db2.gz MQSRMLLAKDKWTM-UHFFFAOYSA-N 0 3 417.582 5.515 40 0 HKABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccsc3)CC1)nc2-c1cccnc1 ZINC000096100008 559095244 /nfs/dbraw/zinc/09/52/44/559095244.db2.gz ODOVSNZSFHNONS-UHFFFAOYSA-N 0 3 417.582 5.515 40 0 HKABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)o1 ZINC000096100010 559095301 /nfs/dbraw/zinc/09/53/01/559095301.db2.gz RADRLSYQFRQCSE-UHFFFAOYSA-N 0 3 415.541 5.355 40 0 HKABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccc(F)cc3)CC1)nc2N1CCCC1 ZINC000096155632 559099888 /nfs/dbraw/zinc/09/98/88/559099888.db2.gz SKBFGTORYWUUPM-UHFFFAOYSA-N 0 3 421.564 5.131 40 0 HKABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2ccccc2Cl)C1 ZINC000096214561 559101712 /nfs/dbraw/zinc/10/17/12/559101712.db2.gz WXZDHUDJEOSWAH-HSZRJFAPSA-N 0 3 417.380 5.193 40 0 HKABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2ccccc2Cl)C1 ZINC000096214562 559101731 /nfs/dbraw/zinc/10/17/31/559101731.db2.gz WXZDHUDJEOSWAH-QHCPKHFHSA-N 0 3 417.380 5.193 40 0 HKABHN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627140 559111733 /nfs/dbraw/zinc/11/17/33/559111733.db2.gz SKUOIQOQRKKGSP-HNNXBMFYSA-N 0 3 412.839 5.089 40 0 HKABHN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627141 559111697 /nfs/dbraw/zinc/11/16/97/559111697.db2.gz SKUOIQOQRKKGSP-OAHLLOKOSA-N 0 3 412.839 5.089 40 0 HKABHN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627170 559111729 /nfs/dbraw/zinc/11/17/29/559111729.db2.gz KAYJTSMNQCQASC-FQEVSTJZSA-N 0 3 411.977 5.181 40 0 HKABHN O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627171 559111719 /nfs/dbraw/zinc/11/17/19/559111719.db2.gz KAYJTSMNQCQASC-HXUWFJFHSA-N 0 3 411.977 5.181 40 0 HKABHN COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659418 560729278 /nfs/dbraw/zinc/72/92/78/560729278.db2.gz VXHVUKKYMOSWJM-MUDGOKMXSA-N 0 3 401.550 5.612 40 0 HKABHN COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659422 560729331 /nfs/dbraw/zinc/72/93/31/560729331.db2.gz VXHVUKKYMOSWJM-HZVPBQBQSA-N 0 3 401.550 5.612 40 0 HKABHN COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C ZINC000101659426 560729338 /nfs/dbraw/zinc/72/93/38/560729338.db2.gz VXHVUKKYMOSWJM-YJYUAFMYSA-N 0 3 401.550 5.612 40 0 HKABHN CCC[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696866 559151997 /nfs/dbraw/zinc/15/19/97/559151997.db2.gz FFNLFWCXKWZQKH-AGIBEUSCSA-N 0 3 420.424 6.963 40 0 HKABHN CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696869 559151950 /nfs/dbraw/zinc/15/19/50/559151950.db2.gz FFNLFWCXKWZQKH-IRFILORWSA-N 0 3 420.424 6.963 40 0 HKABHN CCC[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC ZINC000102696872 559152020 /nfs/dbraw/zinc/15/20/20/559152020.db2.gz FFNLFWCXKWZQKH-RADFVVHLSA-N 0 3 420.424 6.963 40 0 HKABHN CC(C)C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825754 559163101 /nfs/dbraw/zinc/16/31/01/559163101.db2.gz IMTMMGXRAMGUDP-BCCVMWATSA-N 0 3 424.544 5.135 40 0 HKABHN CC(C)C[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825756 559163070 /nfs/dbraw/zinc/16/30/70/559163070.db2.gz IMTMMGXRAMGUDP-HLPJKERBSA-N 0 3 424.544 5.135 40 0 HKABHN CC(C)C[C@H]1N[C@]2(c3ccccc3NC2=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000105825758 559163097 /nfs/dbraw/zinc/16/30/97/559163097.db2.gz IMTMMGXRAMGUDP-YKKMPQLRSA-N 0 3 424.544 5.135 40 0 HKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013324 559163450 /nfs/dbraw/zinc/16/34/50/559163450.db2.gz FWIMWRAGFVUMJK-FVVUCMFRSA-N 0 3 403.541 6.152 40 0 HKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013327 559163429 /nfs/dbraw/zinc/16/34/29/559163429.db2.gz FWIMWRAGFVUMJK-RKGDIDPOSA-N 0 3 403.541 6.152 40 0 HKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000106013330 559163412 /nfs/dbraw/zinc/16/34/12/559163412.db2.gz FWIMWRAGFVUMJK-VMHSGMROSA-N 0 3 403.541 6.152 40 0 HKABHN O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958285 559183582 /nfs/dbraw/zinc/18/35/82/559183582.db2.gz WLXBHTFUTJXDNM-UHFFFAOYSA-N 0 3 420.503 5.672 40 0 HKABHN Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958520 560807088 /nfs/dbraw/zinc/80/70/88/560807088.db2.gz ZZABEGZOEKFYAQ-UHFFFAOYSA-N 0 3 412.577 6.010 40 0 HKABHN O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958524 559183515 /nfs/dbraw/zinc/18/35/15/559183515.db2.gz IZOXRYSCTUCAKR-UHFFFAOYSA-N 0 3 420.503 5.672 40 0 HKABHN COc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958734 559183573 /nfs/dbraw/zinc/18/35/73/559183573.db2.gz FASGTNRMRODCPZ-UHFFFAOYSA-N 0 3 414.549 5.402 40 0 HKABHN Cc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1C ZINC000113958738 559183590 /nfs/dbraw/zinc/18/35/90/559183590.db2.gz SMPAYYLPIUZKSU-UHFFFAOYSA-N 0 3 412.577 6.010 40 0 HKABHN CCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958795 559183538 /nfs/dbraw/zinc/18/35/38/559183538.db2.gz UGCHSIUBNBCBPY-UHFFFAOYSA-N 0 3 412.577 5.956 40 0 HKABHN CN1CCC(N(Cc2cccc(-c3cccc(F)c3)c2)Cc2ccccc2Cl)CC1 ZINC000141528569 569354585 /nfs/dbraw/zinc/35/45/85/569354585.db2.gz HJKGFGAHNUFCOG-UHFFFAOYSA-N 0 3 422.975 6.243 40 0 HKABHN CN1CCC(N(Cc2ccc(-c3cccc(F)c3)cc2)Cc2ccccc2Cl)CC1 ZINC000141530346 569354649 /nfs/dbraw/zinc/35/46/49/569354649.db2.gz CDHQHVZFTKQVRT-UHFFFAOYSA-N 0 3 422.975 6.243 40 0 HKABHN CN1CCC(N(Cc2ccc(-c3ccc(F)cc3)cc2)Cc2ccccc2Cl)CC1 ZINC000141533353 569354637 /nfs/dbraw/zinc/35/46/37/569354637.db2.gz SOPUGDVWNHNWAX-UHFFFAOYSA-N 0 3 422.975 6.243 40 0 HKABHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 ZINC000141536187 569354599 /nfs/dbraw/zinc/35/45/99/569354599.db2.gz LPPHXYRFLUTCPM-IBGZPJMESA-N 0 3 403.570 5.649 40 0 HKABHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(CN2CCCC[C@H]2C)c1 ZINC000141536387 569354590 /nfs/dbraw/zinc/35/45/90/569354590.db2.gz LPPHXYRFLUTCPM-LJQANCHMSA-N 0 3 403.570 5.649 40 0 HKABHN CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cc2)CC1 ZINC000141539315 569354619 /nfs/dbraw/zinc/35/46/19/569354619.db2.gz BFOYALJUHGYBOC-NRFANRHFSA-N 0 3 405.586 5.550 40 0 HKABHN CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cc2)CC1 ZINC000141539496 569354605 /nfs/dbraw/zinc/35/46/05/569354605.db2.gz BFOYALJUHGYBOC-OAQYLSRUSA-N 0 3 405.586 5.550 40 0 HKABHN Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1 ZINC000141564732 569354959 /nfs/dbraw/zinc/35/49/59/569354959.db2.gz VDTOXDJPICRRFB-FQEVSTJZSA-N 0 3 417.553 5.244 40 0 HKABHN Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2c1 ZINC000141564929 569354883 /nfs/dbraw/zinc/35/48/83/569354883.db2.gz VDTOXDJPICRRFB-HXUWFJFHSA-N 0 3 417.553 5.244 40 0 HKABHN Cc1cc2ncn(CCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2cc1C ZINC000141576409 569354929 /nfs/dbraw/zinc/35/49/29/569354929.db2.gz YKHMRTLZLVCBEE-FQEVSTJZSA-N 0 3 404.558 5.056 40 0 HKABHN Cc1cc2ncn(CCC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2cc1C ZINC000141576602 569354863 /nfs/dbraw/zinc/35/48/63/569354863.db2.gz YKHMRTLZLVCBEE-HXUWFJFHSA-N 0 3 404.558 5.056 40 0 HKABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141576987 569354945 /nfs/dbraw/zinc/35/49/45/569354945.db2.gz INHKZFLYOYQPJG-CQSZACIVSA-N 0 3 416.447 5.208 40 0 HKABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000141577191 569354904 /nfs/dbraw/zinc/35/49/04/569354904.db2.gz INHKZFLYOYQPJG-AWEZNQCLSA-N 0 3 416.447 5.208 40 0 HKABHN CC1CCN(Cc2cccc(NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)c2)CC1 ZINC000141577388 569354911 /nfs/dbraw/zinc/35/49/11/569354911.db2.gz FWMKVIXYMYSDQF-UHFFFAOYSA-N 0 3 416.447 5.066 40 0 HKABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141583813 569354857 /nfs/dbraw/zinc/35/48/57/569354857.db2.gz KZJJYUHPPMHCQR-MRXNPFEDSA-N 0 3 409.917 5.622 40 0 HKABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000141584007 569354934 /nfs/dbraw/zinc/35/49/34/569354934.db2.gz KZJJYUHPPMHCQR-INIZCTEOSA-N 0 3 409.917 5.622 40 0 HKABHN CC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1 ZINC000141584217 569354938 /nfs/dbraw/zinc/35/49/38/569354938.db2.gz BGNBXOITJDKOCG-UHFFFAOYSA-N 0 3 409.917 5.479 40 0 HKABHN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000216302333 568464238 /nfs/dbraw/zinc/46/42/38/568464238.db2.gz KESIYPJTCPADMY-UHFFFAOYSA-N 0 3 404.941 5.171 40 0 HKABHN Ic1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 ZINC000216839259 569025591 /nfs/dbraw/zinc/02/55/91/569025591.db2.gz NEQHDKCNCPYORP-UHFFFAOYSA-N 0 3 418.278 5.085 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC000219008362 568485862 /nfs/dbraw/zinc/48/58/62/568485862.db2.gz KZBKOJSTOHYAFF-UHFFFAOYSA-N 0 3 414.549 5.197 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000219134919 568487082 /nfs/dbraw/zinc/48/70/82/568487082.db2.gz MXXMSLMWINNFSB-UHFFFAOYSA-N 0 3 414.549 5.320 40 0 HKABHN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219346225 568490336 /nfs/dbraw/zinc/49/03/36/568490336.db2.gz TULKAPSVOLFSNJ-XMMPIXPASA-N 0 3 418.537 5.109 40 0 HKABHN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219346303 568490307 /nfs/dbraw/zinc/49/03/07/568490307.db2.gz TULKAPSVOLFSNJ-DEOSSOPVSA-N 0 3 418.537 5.109 40 0 HKABHN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219355666 568490475 /nfs/dbraw/zinc/49/04/75/568490475.db2.gz YFUHKLCBGIYBEI-RUZDIDTESA-N 0 3 418.537 5.109 40 0 HKABHN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219355741 568490490 /nfs/dbraw/zinc/49/04/90/568490490.db2.gz YFUHKLCBGIYBEI-VWLOTQADSA-N 0 3 418.537 5.109 40 0 HKABHN O=C(NCCC1=CCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219959747 568500318 /nfs/dbraw/zinc/50/03/18/568500318.db2.gz JNKOKJMYSSEDNY-UHFFFAOYSA-N 0 3 416.609 5.762 40 0 HKABHN O=C(NC1CCCCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961713 568500544 /nfs/dbraw/zinc/50/05/44/568500544.db2.gz OAKCBRRYPMNZDY-UHFFFAOYSA-N 0 3 418.625 5.984 40 0 HKABHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCc2ccccc21 ZINC000219961927 568500535 /nfs/dbraw/zinc/50/05/35/568500535.db2.gz JHLJPQQGZVHIMR-UHFFFAOYSA-N 0 3 424.588 5.734 40 0 HKABHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCc2ccccc21 ZINC000219962028 568500491 /nfs/dbraw/zinc/50/04/91/568500491.db2.gz GIJAULLIHBBCCX-UHFFFAOYSA-N 0 3 410.561 5.344 40 0 HKABHN CC(C)c1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014095 569052648 /nfs/dbraw/zinc/05/26/48/569052648.db2.gz CGJGZEUKMNJJMJ-ILBGXUMGSA-N 0 3 421.629 5.853 40 0 HKABHN CC(C)c1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000222014159 569052651 /nfs/dbraw/zinc/05/26/51/569052651.db2.gz CGJGZEUKMNJJMJ-UKILVPOCSA-N 0 3 421.629 5.853 40 0 HKABHN CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000222597384 568519834 /nfs/dbraw/zinc/51/98/34/568519834.db2.gz DDQLKWIJCFYCLA-HSZRJFAPSA-N 0 3 413.005 5.424 40 0 HKABHN CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000222597446 568519839 /nfs/dbraw/zinc/51/98/39/568519839.db2.gz DDQLKWIJCFYCLA-QHCPKHFHSA-N 0 3 413.005 5.424 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 ZINC000222697938 568524048 /nfs/dbraw/zinc/52/40/48/568524048.db2.gz WITACMPBPKSOBB-UHFFFAOYSA-N 0 3 418.990 5.324 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000222729210 568524926 /nfs/dbraw/zinc/52/49/26/568524926.db2.gz HQUSVEPVBNAZSB-HSZRJFAPSA-N 0 3 424.560 5.237 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2O1 ZINC000222729278 568524907 /nfs/dbraw/zinc/52/49/07/568524907.db2.gz HQUSVEPVBNAZSB-QHCPKHFHSA-N 0 3 424.560 5.237 40 0 HKABHN O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000222749328 568525481 /nfs/dbraw/zinc/52/54/81/568525481.db2.gz AMZODQCHDZYFGE-UHFFFAOYSA-N 0 3 406.529 5.328 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2O1 ZINC000222824335 568527462 /nfs/dbraw/zinc/52/74/62/568527462.db2.gz ZSJCOOJCDFLXSZ-XMMPIXPASA-N 0 3 420.597 5.406 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2O1 ZINC000222824397 568527466 /nfs/dbraw/zinc/52/74/66/568527466.db2.gz ZSJCOOJCDFLXSZ-DEOSSOPVSA-N 0 3 420.597 5.406 40 0 HKABHN O=C(NCc1cccc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000222828068 568527572 /nfs/dbraw/zinc/52/75/72/568527572.db2.gz INJALJAPDLQQKU-UHFFFAOYSA-N 0 3 406.529 5.328 40 0 HKABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222905986 568530287 /nfs/dbraw/zinc/53/02/87/568530287.db2.gz FFCPSXFXNJLSDM-OAQYLSRUSA-N 0 3 424.588 5.615 40 0 HKABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000222906055 568530270 /nfs/dbraw/zinc/53/02/70/568530270.db2.gz FFCPSXFXNJLSDM-NRFANRHFSA-N 0 3 424.588 5.615 40 0 HKABHN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000222942922 568531908 /nfs/dbraw/zinc/53/19/08/568531908.db2.gz COKCXHHHATUZSB-XMMPIXPASA-N 0 3 424.585 5.253 40 0 HKABHN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000222942983 568531895 /nfs/dbraw/zinc/53/18/95/568531895.db2.gz COKCXHHHATUZSB-DEOSSOPVSA-N 0 3 424.585 5.253 40 0 HKABHN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000222954002 568532214 /nfs/dbraw/zinc/53/22/14/568532214.db2.gz WNGRFBOINNIBMF-UHFFFAOYSA-N 0 3 424.466 5.194 40 0 HKABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992772 568533605 /nfs/dbraw/zinc/53/36/05/568533605.db2.gz CYOSFXFDJUIMNR-WZONZLPQSA-N 0 3 410.989 5.308 40 0 HKABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000222992841 568533648 /nfs/dbraw/zinc/53/36/48/568533648.db2.gz CYOSFXFDJUIMNR-FDDCHVKYSA-N 0 3 410.989 5.308 40 0 HKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090726 568537198 /nfs/dbraw/zinc/53/71/98/568537198.db2.gz MYCJDZOOEVNKSO-AREMUKBSSA-N 0 3 404.598 5.678 40 0 HKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223090783 568537234 /nfs/dbraw/zinc/53/72/34/568537234.db2.gz MYCJDZOOEVNKSO-SANMLTNESA-N 0 3 404.598 5.678 40 0 HKABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103215 568537689 /nfs/dbraw/zinc/53/76/89/568537689.db2.gz NCSYXKRXDGXIBH-AREMUKBSSA-N 0 3 404.598 5.353 40 0 HKABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103278 568537685 /nfs/dbraw/zinc/53/76/85/568537685.db2.gz NCSYXKRXDGXIBH-SANMLTNESA-N 0 3 404.598 5.353 40 0 HKABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103362 568537702 /nfs/dbraw/zinc/53/77/02/568537702.db2.gz XZJJCTXBASVCQG-AREMUKBSSA-N 0 3 404.598 5.353 40 0 HKABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223103411 568537629 /nfs/dbraw/zinc/53/76/29/568537629.db2.gz XZJJCTXBASVCQG-SANMLTNESA-N 0 3 404.598 5.353 40 0 HKABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104851 568537696 /nfs/dbraw/zinc/53/76/96/568537696.db2.gz PBHISEBDJUNMPD-RUZDIDTESA-N 0 3 408.561 5.184 40 0 HKABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223104895 568537699 /nfs/dbraw/zinc/53/76/99/568537699.db2.gz PBHISEBDJUNMPD-VWLOTQADSA-N 0 3 408.561 5.184 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223116982 568538152 /nfs/dbraw/zinc/53/81/52/568538152.db2.gz JYZQIPSFXPXTNJ-NFBKMPQASA-N 0 3 424.560 5.237 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000223117039 568538129 /nfs/dbraw/zinc/53/81/29/568538129.db2.gz JYZQIPSFXPXTNJ-OFNKIYASSA-N 0 3 424.560 5.237 40 0 HKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123554 568538465 /nfs/dbraw/zinc/53/84/65/568538465.db2.gz IFNYCQWQHPRAOO-ILBGXUMGSA-N 0 3 408.561 5.184 40 0 HKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223123616 568538495 /nfs/dbraw/zinc/53/84/95/568538495.db2.gz IFNYCQWQHPRAOO-NOZRDPDXSA-N 0 3 408.561 5.184 40 0 HKABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154043 568539643 /nfs/dbraw/zinc/53/96/43/568539643.db2.gz FLQRLTSRCWTTHW-HXUWFJFHSA-N 0 3 410.561 5.225 40 0 HKABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 ZINC000223154099 568539647 /nfs/dbraw/zinc/53/96/47/568539647.db2.gz FLQRLTSRCWTTHW-FQEVSTJZSA-N 0 3 410.561 5.225 40 0 HKABHN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C ZINC000223314611 568545024 /nfs/dbraw/zinc/54/50/24/568545024.db2.gz UDDNHOYOYVZVLY-HXUWFJFHSA-N 0 3 408.586 5.604 40 0 HKABHN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C ZINC000223314668 568544991 /nfs/dbraw/zinc/54/49/91/568544991.db2.gz UDDNHOYOYVZVLY-FQEVSTJZSA-N 0 3 408.586 5.604 40 0 HKABHN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C(C)C ZINC000223337019 568545637 /nfs/dbraw/zinc/54/56/37/568545637.db2.gz KZCCGFGSPBQQQS-OAQYLSRUSA-N 0 3 422.613 5.850 40 0 HKABHN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C(C)C ZINC000223337074 568545621 /nfs/dbraw/zinc/54/56/21/568545621.db2.gz KZCCGFGSPBQQQS-NRFANRHFSA-N 0 3 422.613 5.850 40 0 HKABHN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C(C)C ZINC000223348587 568545999 /nfs/dbraw/zinc/54/59/99/568545999.db2.gz USNNYRORXMJVDO-HXUWFJFHSA-N 0 3 408.586 5.216 40 0 HKABHN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C(C)C ZINC000223348643 568546062 /nfs/dbraw/zinc/54/60/62/568546062.db2.gz USNNYRORXMJVDO-FQEVSTJZSA-N 0 3 408.586 5.216 40 0 HKABHN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1C(C)C ZINC000223348844 568546071 /nfs/dbraw/zinc/54/60/71/568546071.db2.gz VMHCCIXCMITBJH-OAQYLSRUSA-N 0 3 422.613 5.525 40 0 HKABHN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1C(C)C ZINC000223348899 568546108 /nfs/dbraw/zinc/54/61/08/568546108.db2.gz VMHCCIXCMITBJH-NRFANRHFSA-N 0 3 422.613 5.525 40 0 HKABHN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223348988 568546147 /nfs/dbraw/zinc/54/61/47/568546147.db2.gz WZKHMTKMFYLNEV-OAQYLSRUSA-N 0 3 422.613 5.525 40 0 HKABHN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223349046 568546089 /nfs/dbraw/zinc/54/60/89/568546089.db2.gz WZKHMTKMFYLNEV-NRFANRHFSA-N 0 3 422.613 5.525 40 0 HKABHN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C ZINC000223399482 568547432 /nfs/dbraw/zinc/54/74/32/568547432.db2.gz VDFRQYRNZQQJQQ-JOCHJYFZSA-N 0 3 412.577 5.661 40 0 HKABHN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C ZINC000223399544 568547412 /nfs/dbraw/zinc/54/74/12/568547412.db2.gz VDFRQYRNZQQJQQ-QFIPXVFZSA-N 0 3 412.577 5.661 40 0 HKABHN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223416483 568548232 /nfs/dbraw/zinc/54/82/32/568548232.db2.gz AHDKTYRQVKHYJU-UHFFFAOYSA-N 0 3 418.540 5.749 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)CC1 ZINC000223709605 568556928 /nfs/dbraw/zinc/55/69/28/568556928.db2.gz NGLRXDWPXPTDFK-UHFFFAOYSA-N 0 3 408.586 5.025 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 ZINC000223743141 568557781 /nfs/dbraw/zinc/55/77/81/568557781.db2.gz WIXXKVHJVSAQBV-HSZRJFAPSA-N 0 3 406.570 5.097 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 ZINC000223743193 568557812 /nfs/dbraw/zinc/55/78/12/568557812.db2.gz WIXXKVHJVSAQBV-QHCPKHFHSA-N 0 3 406.570 5.097 40 0 HKABHN CC1CCN(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000224332131 568578162 /nfs/dbraw/zinc/57/81/62/568578162.db2.gz UWSNXWVTBVMONH-UHFFFAOYSA-N 0 3 408.586 5.025 40 0 HKABHN O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553111 568584942 /nfs/dbraw/zinc/58/49/42/568584942.db2.gz CAOKFAHUQMNZTP-UHFFFAOYSA-N 0 3 402.469 5.576 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2O1 ZINC000224710346 568593190 /nfs/dbraw/zinc/59/31/90/568593190.db2.gz FQMXDCMRVJRVSW-XMMPIXPASA-N 0 3 420.597 5.731 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2O1 ZINC000224710397 568593307 /nfs/dbraw/zinc/59/33/07/568593307.db2.gz FQMXDCMRVJRVSW-DEOSSOPVSA-N 0 3 420.597 5.731 40 0 HKABHN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224806040 568597538 /nfs/dbraw/zinc/59/75/38/568597538.db2.gz LRBOHFHJFVFKDG-PKNBQFBNSA-N 0 3 403.353 5.309 40 0 HKABHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224806263 568597627 /nfs/dbraw/zinc/59/76/27/568597627.db2.gz WFRFFRCYGIFGFK-QGZVFWFLSA-N 0 3 402.991 5.123 40 0 HKABHN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224806303 568597580 /nfs/dbraw/zinc/59/75/80/568597580.db2.gz WFRFFRCYGIFGFK-KRWDZBQOSA-N 0 3 402.991 5.123 40 0 HKABHN O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224807041 568597829 /nfs/dbraw/zinc/59/78/29/568597829.db2.gz NQBHQCBPWMCCHI-UHFFFAOYSA-N 0 3 402.991 5.125 40 0 HKABHN O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000224807426 568597882 /nfs/dbraw/zinc/59/78/82/568597882.db2.gz AZMLITQIYQHGEO-XIEYBQDHSA-N 0 3 400.522 5.123 40 0 HKABHN O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000224807783 568597763 /nfs/dbraw/zinc/59/77/63/568597763.db2.gz UUEGWHNJUFFINY-NHFJDJAPSA-N 0 3 410.561 5.530 40 0 HKABHN O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224808043 568597849 /nfs/dbraw/zinc/59/78/49/568597849.db2.gz MQQFSVNNMIVSDV-UHFFFAOYSA-N 0 3 420.981 5.015 40 0 HKABHN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224827598 568598805 /nfs/dbraw/zinc/59/88/05/568598805.db2.gz WDGMVMSJVHMUPD-HXUWFJFHSA-N 0 3 408.586 5.054 40 0 HKABHN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224827642 568598955 /nfs/dbraw/zinc/59/89/55/568598955.db2.gz WDGMVMSJVHMUPD-FQEVSTJZSA-N 0 3 408.586 5.054 40 0 HKABHN Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl ZINC000224827718 568598909 /nfs/dbraw/zinc/59/89/09/568598909.db2.gz JQKYKMFRTAAWJS-IBGZPJMESA-N 0 3 414.977 5.026 40 0 HKABHN Cc1cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl ZINC000224827768 568598876 /nfs/dbraw/zinc/59/88/76/568598876.db2.gz JQKYKMFRTAAWJS-LJQANCHMSA-N 0 3 414.977 5.026 40 0 HKABHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000224831619 568599120 /nfs/dbraw/zinc/59/91/20/568599120.db2.gz NCILQOURXCVDRB-UHFFFAOYSA-N 0 3 414.549 5.182 40 0 HKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000224831748 568599067 /nfs/dbraw/zinc/59/90/67/568599067.db2.gz IEULROJWKCIAGV-UHFFFAOYSA-N 0 3 414.549 5.182 40 0 HKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000224831959 568599084 /nfs/dbraw/zinc/59/90/84/568599084.db2.gz LSVPOJPOLLOVED-UHFFFAOYSA-N 0 3 412.577 5.388 40 0 HKABHN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837300 568599305 /nfs/dbraw/zinc/59/93/05/568599305.db2.gz UNTCAAYUUJYGRL-RUZDIDTESA-N 0 3 416.565 5.300 40 0 HKABHN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837341 568599293 /nfs/dbraw/zinc/59/92/93/568599293.db2.gz UNTCAAYUUJYGRL-VWLOTQADSA-N 0 3 416.565 5.300 40 0 HKABHN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837410 568599277 /nfs/dbraw/zinc/59/92/77/568599277.db2.gz BOECGUMJRMVDKG-AREMUKBSSA-N 0 3 416.565 5.300 40 0 HKABHN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837455 568599274 /nfs/dbraw/zinc/59/92/74/568599274.db2.gz BOECGUMJRMVDKG-SANMLTNESA-N 0 3 416.565 5.300 40 0 HKABHN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837854 568599528 /nfs/dbraw/zinc/59/95/28/568599528.db2.gz NQZXVAQHURNZIA-JOCHJYFZSA-N 0 3 417.018 5.513 40 0 HKABHN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837907 568599532 /nfs/dbraw/zinc/59/95/32/568599532.db2.gz NQZXVAQHURNZIA-QFIPXVFZSA-N 0 3 417.018 5.513 40 0 HKABHN O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224849316 568600199 /nfs/dbraw/zinc/60/01/99/568600199.db2.gz YQHZWGRAHBLRMQ-UHFFFAOYSA-N 0 3 417.018 5.515 40 0 HKABHN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224849878 568600209 /nfs/dbraw/zinc/60/02/09/568600209.db2.gz FJWBUAJYSNVIBM-RUZDIDTESA-N 0 3 422.613 5.444 40 0 HKABHN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224849923 568600160 /nfs/dbraw/zinc/60/01/60/568600160.db2.gz FJWBUAJYSNVIBM-VWLOTQADSA-N 0 3 422.613 5.444 40 0 HKABHN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850182 568600151 /nfs/dbraw/zinc/60/01/51/568600151.db2.gz DJOLVUMMFGXONW-HSZRJFAPSA-N 0 3 414.977 5.108 40 0 HKABHN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850228 568600180 /nfs/dbraw/zinc/60/01/80/568600180.db2.gz DJOLVUMMFGXONW-QHCPKHFHSA-N 0 3 414.977 5.108 40 0 HKABHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224850788 568600225 /nfs/dbraw/zinc/60/02/25/568600225.db2.gz NUPWBXFACJETHM-NRFANRHFSA-N 0 3 408.586 5.188 40 0 HKABHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224850829 568600361 /nfs/dbraw/zinc/60/03/61/568600361.db2.gz NUPWBXFACJETHM-OAQYLSRUSA-N 0 3 408.586 5.188 40 0 HKABHN O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCCC1 ZINC000224851846 568600425 /nfs/dbraw/zinc/60/04/25/568600425.db2.gz XSMXQYWJYOZKOD-UHFFFAOYSA-N 0 3 420.981 5.015 40 0 HKABHN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000224853569 568600374 /nfs/dbraw/zinc/60/03/74/568600374.db2.gz UCTRVRFCJGIJNN-UHFFFAOYSA-N 0 3 405.369 5.228 40 0 HKABHN O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224853636 568600449 /nfs/dbraw/zinc/60/04/49/568600449.db2.gz ODVFZNNXQYKJST-UHFFFAOYSA-N 0 3 405.369 5.228 40 0 HKABHN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224853693 568600401 /nfs/dbraw/zinc/60/04/01/568600401.db2.gz TUOXNZICVNJTGS-UHFFFAOYSA-N 0 3 405.369 5.228 40 0 HKABHN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000224898333 568602948 /nfs/dbraw/zinc/60/29/48/568602948.db2.gz UOTRDNHZFQBGDR-UHFFFAOYSA-N 0 3 411.549 5.097 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 ZINC000225145336 568617696 /nfs/dbraw/zinc/61/76/96/568617696.db2.gz BUXVLOURLHHNNC-HSZRJFAPSA-N 0 3 406.570 5.485 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 ZINC000225145374 568617616 /nfs/dbraw/zinc/61/76/16/568617616.db2.gz BUXVLOURLHHNNC-QHCPKHFHSA-N 0 3 406.570 5.485 40 0 HKABHN CC(C)n1c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2sc1=O ZINC000225160361 568619099 /nfs/dbraw/zinc/61/90/99/568619099.db2.gz SRZNYRCZJZFOMK-UHFFFAOYSA-N 0 3 423.582 5.128 40 0 HKABHN CCc1nc2ccc(NC(=S)NCCNc3cc(C)nc4ccccc43)cc2s1 ZINC000225229350 568624682 /nfs/dbraw/zinc/62/46/82/568624682.db2.gz GORZUAICJHMSEU-UHFFFAOYSA-N 0 3 421.595 5.114 40 0 HKABHN S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(Cc2cccs2)CC1 ZINC000225229825 568624782 /nfs/dbraw/zinc/62/47/82/568624782.db2.gz ZNTQZITZVWVFCG-UHFFFAOYSA-N 0 3 400.400 5.006 40 0 HKABHN S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2cccs2)CC1 ZINC000225230312 568624823 /nfs/dbraw/zinc/62/48/23/568624823.db2.gz BRQFFQNOOSVMAU-UHFFFAOYSA-N 0 3 423.607 5.491 40 0 HKABHN S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCN(Cc2cccs2)CC1 ZINC000225230363 568624889 /nfs/dbraw/zinc/62/48/89/568624889.db2.gz ASSQLQFMPIRRRG-UHFFFAOYSA-N 0 3 422.623 5.443 40 0 HKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330810 568629836 /nfs/dbraw/zinc/62/98/36/568629836.db2.gz LKRLKZUTVXYBTG-IFMALSPDSA-N 0 3 414.977 5.137 40 0 HKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000225330845 568629868 /nfs/dbraw/zinc/62/98/68/568629868.db2.gz LKRLKZUTVXYBTG-IRLDBZIGSA-N 0 3 414.977 5.137 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000225338448 568630216 /nfs/dbraw/zinc/63/02/16/568630216.db2.gz MWURLBVWDYAOHW-UHFFFAOYSA-N 0 3 407.341 5.038 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000225362361 568631625 /nfs/dbraw/zinc/63/16/25/568631625.db2.gz QEILKANKQPYRBF-UHFFFAOYSA-N 0 3 407.341 5.038 40 0 HKABHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000225379273 568632765 /nfs/dbraw/zinc/63/27/65/568632765.db2.gz QBHPKPYPGDTTLU-UHFFFAOYSA-N 0 3 407.341 5.038 40 0 HKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000225503530 568644227 /nfs/dbraw/zinc/64/42/27/568644227.db2.gz YKTVBBJXBHOMFL-UHFFFAOYSA-N 0 3 406.570 5.248 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c2ccccc2O1 ZINC000225505193 568644429 /nfs/dbraw/zinc/64/44/29/568644429.db2.gz QDYOFQDVVTXAIC-XMMPIXPASA-N 0 3 420.597 5.406 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c2ccccc2O1 ZINC000225505241 568644438 /nfs/dbraw/zinc/64/44/38/568644438.db2.gz QDYOFQDVVTXAIC-DEOSSOPVSA-N 0 3 420.597 5.406 40 0 HKABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)c1 ZINC000225509602 568644840 /nfs/dbraw/zinc/64/48/40/568644840.db2.gz LOCDRZBSJUZWOO-UHFFFAOYSA-N 0 3 406.570 5.310 40 0 HKABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)c1 ZINC000225509703 568644912 /nfs/dbraw/zinc/64/49/12/568644912.db2.gz MQBYCYWDEQWLFV-UHFFFAOYSA-N 0 3 420.597 5.556 40 0 HKABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)cc1 ZINC000225512650 568645180 /nfs/dbraw/zinc/64/51/80/568645180.db2.gz GFTGNELTQKCMPA-UHFFFAOYSA-N 0 3 406.570 5.310 40 0 HKABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)cc1 ZINC000225512754 568645330 /nfs/dbraw/zinc/64/53/30/568645330.db2.gz STUYZWUJQVWKMR-UHFFFAOYSA-N 0 3 420.597 5.556 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225515688 568645764 /nfs/dbraw/zinc/64/57/64/568645764.db2.gz PVPWKOBDGPSERH-UHFFFAOYSA-N 0 3 410.533 5.141 40 0 HKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1 ZINC000225515791 568645816 /nfs/dbraw/zinc/64/58/16/568645816.db2.gz HTHVZSUOTHUFEO-UHFFFAOYSA-N 0 3 424.560 5.387 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225519984 568646188 /nfs/dbraw/zinc/64/61/88/568646188.db2.gz GMNNEVZEMHSPQH-UHFFFAOYSA-N 0 3 410.533 5.141 40 0 HKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000225520084 568646153 /nfs/dbraw/zinc/64/61/53/568646153.db2.gz PJFZVRDTVNWUNX-UHFFFAOYSA-N 0 3 424.560 5.387 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225522878 568646909 /nfs/dbraw/zinc/64/69/09/568646909.db2.gz FQXJQIXUKWJIOA-UHFFFAOYSA-N 0 3 412.961 5.265 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225525912 568647312 /nfs/dbraw/zinc/64/73/12/568647312.db2.gz YAVDRSMIEKFWHB-UHFFFAOYSA-N 0 3 412.961 5.265 40 0 HKABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528755 568647465 /nfs/dbraw/zinc/64/74/65/568647465.db2.gz FXCCBPJNJXGJED-UHFFFAOYSA-N 0 3 421.368 5.384 40 0 HKABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)cc1 ZINC000225531397 568647918 /nfs/dbraw/zinc/64/79/18/568647918.db2.gz WRTFVSACOAMIKJ-UHFFFAOYSA-N 0 3 422.569 5.010 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534037 568648170 /nfs/dbraw/zinc/64/81/70/568648170.db2.gz OLCBDOFGIKKXDU-UHFFFAOYSA-N 0 3 406.570 5.392 40 0 HKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)CC1 ZINC000225534127 568648369 /nfs/dbraw/zinc/64/83/69/568648369.db2.gz HSANONFOTDQKFW-UHFFFAOYSA-N 0 3 420.597 5.638 40 0 HKABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)c1 ZINC000225539634 568648970 /nfs/dbraw/zinc/64/89/70/568648970.db2.gz DGORNLJAVCRJCP-UHFFFAOYSA-N 0 3 406.570 5.310 40 0 HKABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)c1 ZINC000225539665 568649024 /nfs/dbraw/zinc/64/90/24/568649024.db2.gz BFFJYRHPACVUKO-UHFFFAOYSA-N 0 3 420.597 5.700 40 0 HKABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)cc1 ZINC000225542223 568649281 /nfs/dbraw/zinc/64/92/81/568649281.db2.gz IKDYZMIODXVOHO-UHFFFAOYSA-N 0 3 406.570 5.310 40 0 HKABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)cc1 ZINC000225542239 568649227 /nfs/dbraw/zinc/64/92/27/568649227.db2.gz YDFPZEXBVDHOSL-UHFFFAOYSA-N 0 3 420.597 5.700 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225544868 568649519 /nfs/dbraw/zinc/64/95/19/568649519.db2.gz VMKWTTCGXWVIGG-UHFFFAOYSA-N 0 3 410.533 5.141 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225544894 568649538 /nfs/dbraw/zinc/64/95/38/568649538.db2.gz WBMLVHNGJXHQOU-UHFFFAOYSA-N 0 3 424.560 5.531 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225547796 568649894 /nfs/dbraw/zinc/64/98/94/568649894.db2.gz MYHCGMYWNCVRBU-UHFFFAOYSA-N 0 3 410.533 5.141 40 0 HKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225547823 568649883 /nfs/dbraw/zinc/64/98/83/568649883.db2.gz LNGBVVMBEAEYQK-UHFFFAOYSA-N 0 3 424.560 5.531 40 0 HKABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550584 568650226 /nfs/dbraw/zinc/65/02/26/568650226.db2.gz ZHNCUVBYDVGADV-UHFFFAOYSA-N 0 3 400.950 5.121 40 0 HKABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 ZINC000225553473 568650413 /nfs/dbraw/zinc/65/04/13/568650413.db2.gz FGABPTXPYMYLTH-UHFFFAOYSA-N 0 3 400.950 5.121 40 0 HKABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)cc1 ZINC000225558765 568650968 /nfs/dbraw/zinc/65/09/68/568650968.db2.gz AUUDJZJXQUVAIL-UHFFFAOYSA-N 0 3 422.569 5.010 40 0 HKABHN COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225615297 568657262 /nfs/dbraw/zinc/65/72/62/568657262.db2.gz LPSOTWVYZLNYIX-UHFFFAOYSA-N 0 3 418.622 5.213 40 0 HKABHN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCCC2)cc1 ZINC000225648960 568660050 /nfs/dbraw/zinc/66/00/50/568660050.db2.gz YRPVCEGBANNIFB-UHFFFAOYSA-N 0 3 412.946 5.097 40 0 HKABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 ZINC000225659346 568660979 /nfs/dbraw/zinc/66/09/79/568660979.db2.gz OVODJHQEHJGPJL-UHFFFAOYSA-N 0 3 402.579 5.009 40 0 HKABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCCC1 ZINC000225659396 568661158 /nfs/dbraw/zinc/66/11/58/568661158.db2.gz ZVKZPJPZXXLDGW-UHFFFAOYSA-N 0 3 416.606 5.255 40 0 HKABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225662994 568661380 /nfs/dbraw/zinc/66/13/80/568661380.db2.gz CTUQLVQALNQYIH-BWKNWUBXSA-N 0 3 416.606 5.111 40 0 HKABHN CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225663016 568661620 /nfs/dbraw/zinc/66/16/20/568661620.db2.gz CTUQLVQALNQYIH-PXDATVDWSA-N 0 3 416.606 5.111 40 0 HKABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225663045 568661605 /nfs/dbraw/zinc/66/16/05/568661605.db2.gz CTUQLVQALNQYIH-OFVILXPXSA-N 0 3 416.606 5.111 40 0 HKABHN CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225663074 568661657 /nfs/dbraw/zinc/66/16/57/568661657.db2.gz CTUQLVQALNQYIH-SQJMNOBHSA-N 0 3 416.606 5.111 40 0 HKABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225668628 568662238 /nfs/dbraw/zinc/66/22/38/568662238.db2.gz CTFAUPBERXCXOZ-UHFFFAOYSA-N 0 3 416.606 5.111 40 0 HKABHN CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000225678090 568663347 /nfs/dbraw/zinc/66/33/47/568663347.db2.gz AGAFBMCLKJRRKX-UHFFFAOYSA-N 0 3 412.577 5.300 40 0 HKABHN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225696011 568665322 /nfs/dbraw/zinc/66/53/22/568665322.db2.gz NHONHQRSHOLUBL-UHFFFAOYSA-N 0 3 418.622 5.357 40 0 HKABHN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225703116 568665930 /nfs/dbraw/zinc/66/59/30/568665930.db2.gz RXKSOCLGYCTIAO-XMMPIXPASA-N 0 3 404.595 5.111 40 0 HKABHN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225703144 568666086 /nfs/dbraw/zinc/66/60/86/568666086.db2.gz RXKSOCLGYCTIAO-DEOSSOPVSA-N 0 3 404.595 5.111 40 0 HKABHN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225742016 568670180 /nfs/dbraw/zinc/67/01/80/568670180.db2.gz GZEMPTMTWIKZDT-UHFFFAOYSA-N 0 3 418.622 5.357 40 0 HKABHN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225744993 568670886 /nfs/dbraw/zinc/67/08/86/568670886.db2.gz KJVWBEXQRZASNL-XMMPIXPASA-N 0 3 404.595 5.111 40 0 HKABHN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225745018 568670780 /nfs/dbraw/zinc/67/07/80/568670780.db2.gz KJVWBEXQRZASNL-DEOSSOPVSA-N 0 3 404.595 5.111 40 0 HKABHN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225749593 568670957 /nfs/dbraw/zinc/67/09/57/568670957.db2.gz YAYBTPVYIVLTIO-XMMPIXPASA-N 0 3 404.595 5.255 40 0 HKABHN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225749619 568671101 /nfs/dbraw/zinc/67/11/01/568671101.db2.gz YAYBTPVYIVLTIO-DEOSSOPVSA-N 0 3 404.595 5.255 40 0 HKABHN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225749729 568671054 /nfs/dbraw/zinc/67/10/54/568671054.db2.gz GSQSOXFZBQNNMD-RUZDIDTESA-N 0 3 418.622 5.501 40 0 HKABHN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225749759 568670936 /nfs/dbraw/zinc/67/09/36/568670936.db2.gz GSQSOXFZBQNNMD-VWLOTQADSA-N 0 3 418.622 5.501 40 0 HKABHN CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O ZINC000226420628 559273815 /nfs/dbraw/zinc/27/38/15/559273815.db2.gz XGYONAAGJOZHRO-XHEQKNDOSA-N 0 3 407.554 5.172 40 0 HKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)N2Cc1ccccc1 ZINC000245227939 569370275 /nfs/dbraw/zinc/37/02/75/569370275.db2.gz ZHLJKTQAWJWBRF-AXJZPPOTSA-N 0 3 417.505 5.034 40 0 HKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)N2Cc1ccccc1 ZINC000245227940 569370269 /nfs/dbraw/zinc/37/02/69/569370269.db2.gz ZHLJKTQAWJWBRF-NCAYHCJHSA-N 0 3 417.505 5.034 40 0 HKABHN CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)cc2)n1 ZINC000257204145 569376733 /nfs/dbraw/zinc/37/67/33/569376733.db2.gz ATFGFYHBTDIYNK-BVSLBCMMSA-N 0 3 422.960 5.117 40 0 HKABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)cc2)n1 ZINC000257204146 569376700 /nfs/dbraw/zinc/37/67/00/569376700.db2.gz ATFGFYHBTDIYNK-HJNYFJLDSA-N 0 3 422.960 5.117 40 0 HKABHN O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 ZINC000257206924 569376766 /nfs/dbraw/zinc/37/67/66/569376766.db2.gz BFMPNEIKSPEAAD-DNQXCXABSA-N 0 3 410.989 5.318 40 0 HKABHN COc1ccc(Cc2ccc(C3CCN(Cc4ccc(C)cc4OC)CC3)nc2)cc1 ZINC000257207193 569376785 /nfs/dbraw/zinc/37/67/85/569376785.db2.gz BGSQBBFBLWMYJG-UHFFFAOYSA-N 0 3 416.565 5.378 40 0 HKABHN COc1cccc(-c2ccc([C@H]3CCCCN3Cc3ccc(NC(C)=O)cc3)cn2)c1 ZINC000257211372 569376708 /nfs/dbraw/zinc/37/67/08/569376708.db2.gz BYPYHUPTPIIPIZ-AREMUKBSSA-N 0 3 415.537 5.443 40 0 HKABHN COc1cccc(-c2ccc([C@@H]3CCCCN3Cc3ccc(NC(C)=O)cc3)cn2)c1 ZINC000257211373 569376753 /nfs/dbraw/zinc/37/67/53/569376753.db2.gz BYPYHUPTPIIPIZ-SANMLTNESA-N 0 3 415.537 5.443 40 0 HKABHN COc1cccc(Cc2ccc([C@H]3CCCN3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214234 569376776 /nfs/dbraw/zinc/37/67/76/569376776.db2.gz CLDQKHJSBZAZPX-HHHXNRCGSA-N 0 3 411.549 5.510 40 0 HKABHN COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)nc2)c1 ZINC000257214235 569376874 /nfs/dbraw/zinc/37/68/74/569376874.db2.gz CLDQKHJSBZAZPX-MHZLTWQESA-N 0 3 411.549 5.510 40 0 HKABHN CN(C)Cc1cccc([C@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 ZINC000257223494 569376880 /nfs/dbraw/zinc/37/68/80/569376880.db2.gz DXPFRUKIJGJKHM-RUZDIDTESA-N 0 3 419.544 5.198 40 0 HKABHN CN(C)Cc1cccc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 ZINC000257223495 569376895 /nfs/dbraw/zinc/37/68/95/569376895.db2.gz DXPFRUKIJGJKHM-VWLOTQADSA-N 0 3 419.544 5.198 40 0 HKABHN Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 ZINC000257227154 569377047 /nfs/dbraw/zinc/37/70/47/569377047.db2.gz FNYBMYVOKSGEPJ-VDKIKQQVSA-N 0 3 421.512 5.377 40 0 HKABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000257231460 569377017 /nfs/dbraw/zinc/37/70/17/569377017.db2.gz GGTYLKLJVZWBDA-NRFANRHFSA-N 0 3 417.553 5.270 40 0 HKABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000257231461 569377025 /nfs/dbraw/zinc/37/70/25/569377025.db2.gz GGTYLKLJVZWBDA-OAQYLSRUSA-N 0 3 417.553 5.270 40 0 HKABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4ccccc4c3)C2)no1 ZINC000257238151 569377118 /nfs/dbraw/zinc/37/71/18/569377118.db2.gz HJUQFZYXQRCILV-JOCHJYFZSA-N 0 3 417.553 5.270 40 0 HKABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4ccccc4c3)C2)no1 ZINC000257238152 569377164 /nfs/dbraw/zinc/37/71/64/569377164.db2.gz HJUQFZYXQRCILV-QFIPXVFZSA-N 0 3 417.553 5.270 40 0 HKABHN O=C1CCC[C@]2(CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 ZINC000257241196 569377109 /nfs/dbraw/zinc/37/71/09/569377109.db2.gz HXBOGSGTFJMPQJ-RPLLCQBOSA-N 0 3 414.524 5.131 40 0 HKABHN CCn1cc(CN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 ZINC000257275552 569377547 /nfs/dbraw/zinc/37/75/47/569377547.db2.gz NPWCPBCWXKGPGI-NRFANRHFSA-N 0 3 408.977 5.230 40 0 HKABHN CCn1cc(CN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 ZINC000257275553 569377528 /nfs/dbraw/zinc/37/75/28/569377528.db2.gz NPWCPBCWXKGPGI-OAQYLSRUSA-N 0 3 408.977 5.230 40 0 HKABHN Cc1ccnc(Nc2cc([C@H]3CCCN(Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 ZINC000257275972 569377500 /nfs/dbraw/zinc/37/75/00/569377500.db2.gz NRUSEGFKOBNTOZ-IBGZPJMESA-N 0 3 412.541 5.093 40 0 HKABHN Cc1ccnc(Nc2cc([C@@H]3CCCN(Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 ZINC000257275973 569377553 /nfs/dbraw/zinc/37/75/53/569377553.db2.gz NRUSEGFKOBNTOZ-LJQANCHMSA-N 0 3 412.541 5.093 40 0 HKABHN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CN3CCCC3)cc1OC2(C)C ZINC000257283043 569377653 /nfs/dbraw/zinc/37/76/53/569377653.db2.gz OWOGENKQGODQSG-RTGAMMJTSA-N 0 3 421.581 5.889 40 0 HKABHN O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257284637 569377684 /nfs/dbraw/zinc/37/76/84/569377684.db2.gz PDOXKSAMJZNTFN-RPLLCQBOSA-N 0 3 414.524 5.131 40 0 HKABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(Cl)c1 ZINC000257288289 569377705 /nfs/dbraw/zinc/37/77/05/569377705.db2.gz PTPSVFCJFIRPBM-NQHRYMMQSA-N 0 3 423.940 5.583 40 0 HKABHN C[C@H](CCN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299481 569377739 /nfs/dbraw/zinc/37/77/39/569377739.db2.gz RQGPYPBCJMDQSU-CTNGQTDRSA-N 0 3 409.574 5.110 40 0 HKABHN C[C@@H](CCN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299482 569377771 /nfs/dbraw/zinc/37/77/71/569377771.db2.gz RQGPYPBCJMDQSU-FPOVZHCZSA-N 0 3 409.574 5.110 40 0 HKABHN C[C@@H](CCN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299483 569377758 /nfs/dbraw/zinc/37/77/58/569377758.db2.gz RQGPYPBCJMDQSU-PZJWPPBQSA-N 0 3 409.574 5.110 40 0 HKABHN C[C@H](CCN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000257299484 569377826 /nfs/dbraw/zinc/37/78/26/569377826.db2.gz RQGPYPBCJMDQSU-TZIWHRDSSA-N 0 3 409.574 5.110 40 0 HKABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1cc(F)ccc1Oc1ccccc1 ZINC000257306822 569377958 /nfs/dbraw/zinc/37/79/58/569377958.db2.gz SWCLFTSJKWEOSL-GZGNHOFSSA-N 0 3 407.485 5.069 40 0 HKABHN Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 ZINC000257313375 569378084 /nfs/dbraw/zinc/37/80/84/569378084.db2.gz USCWVRZHUKATDL-DNRSQYFGSA-N 0 3 403.522 5.238 40 0 HKABHN COc1cc(C)ccc1CN1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 ZINC000257337533 569378381 /nfs/dbraw/zinc/37/83/81/569378381.db2.gz YTEKIOBUZCPBQY-UHFFFAOYSA-N 0 3 420.984 6.022 40 0 HKABHN NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338541 569378274 /nfs/dbraw/zinc/37/82/74/569378274.db2.gz YXWWZEZXPPRGCL-AREMUKBSSA-N 0 3 422.532 5.123 40 0 HKABHN NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1 ZINC000257338542 569378315 /nfs/dbraw/zinc/37/83/15/569378315.db2.gz YXWWZEZXPPRGCL-SANMLTNESA-N 0 3 422.532 5.123 40 0 HKABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764704 569379823 /nfs/dbraw/zinc/37/98/23/569379823.db2.gz LKRLKZUTVXYBTG-RBBKRZOGSA-N 0 3 414.977 5.137 40 0 HKABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 ZINC000260764706 569379851 /nfs/dbraw/zinc/37/98/51/569379851.db2.gz LKRLKZUTVXYBTG-UNMCSNQZSA-N 0 3 414.977 5.137 40 0 HKABHN CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810758 569380211 /nfs/dbraw/zinc/38/02/11/569380211.db2.gz JYZQIPSFXPXTNJ-NZQKXSOJSA-N 0 3 424.560 5.237 40 0 HKABHN CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000260810766 569380268 /nfs/dbraw/zinc/38/02/68/569380268.db2.gz JYZQIPSFXPXTNJ-REWPJTCUSA-N 0 3 424.560 5.237 40 0 HKABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917316 569380497 /nfs/dbraw/zinc/38/04/97/569380497.db2.gz CYOSFXFDJUIMNR-JPYJTQIMSA-N 0 3 410.989 5.308 40 0 HKABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260917320 569380526 /nfs/dbraw/zinc/38/05/26/569380526.db2.gz CYOSFXFDJUIMNR-MBSDFSHPSA-N 0 3 410.989 5.308 40 0 HKABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924524 569380565 /nfs/dbraw/zinc/38/05/65/569380565.db2.gz IFNYCQWQHPRAOO-UKILVPOCSA-N 0 3 408.561 5.184 40 0 HKABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924526 569380597 /nfs/dbraw/zinc/38/05/97/569380597.db2.gz IFNYCQWQHPRAOO-ZCYQVOJMSA-N 0 3 408.561 5.184 40 0 HKABHN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000408575616 557479146 /nfs/dbraw/zinc/47/91/46/557479146.db2.gz OCUJECNOHQKJIN-UHFFFAOYSA-N 0 3 400.522 5.284 40 0 HKABHN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000408577241 558514852 /nfs/dbraw/zinc/51/48/52/558514852.db2.gz XKZVEXFIZTWFOO-UHFFFAOYSA-N 0 3 400.522 5.284 40 0 HKABHN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000408580569 558516047 /nfs/dbraw/zinc/51/60/47/558516047.db2.gz RHHGYSXIVJRFMN-UHFFFAOYSA-N 0 3 411.332 5.804 40 0 HKABHN CN(Cc1ccccc1)C(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000408774973 560639480 /nfs/dbraw/zinc/63/94/80/560639480.db2.gz DVJWTUISSLLJLO-UHFFFAOYSA-N 0 3 412.577 5.414 40 0 HKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=N[C@H]1c1ccccc1 ZINC000408988178 560661976 /nfs/dbraw/zinc/66/19/76/560661976.db2.gz HKDNRIFYSJAWHI-IBGZPJMESA-N 0 3 400.931 5.111 40 0 HKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=N[C@@H]1c1ccccc1 ZINC000408988180 560661954 /nfs/dbraw/zinc/66/19/54/560661954.db2.gz HKDNRIFYSJAWHI-LJQANCHMSA-N 0 3 400.931 5.111 40 0 HKABHN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccncc1 ZINC000409146278 560684673 /nfs/dbraw/zinc/68/46/73/560684673.db2.gz SHLLWOBGQRMRJS-CJLVFECKSA-N 0 3 417.534 5.158 40 0 HKABHN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 ZINC000409192471 559015079 /nfs/dbraw/zinc/01/50/79/559015079.db2.gz DATHXEZKUGZQIE-XDHOZWIPSA-N 0 3 409.898 5.383 40 0 HKABHN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccncc1 ZINC000409202237 560693265 /nfs/dbraw/zinc/69/32/65/560693265.db2.gz QQCPLJAPNCOGDU-YBFXNURJSA-N 0 3 409.898 5.383 40 0 HKABHN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 ZINC000409230898 559036349 /nfs/dbraw/zinc/03/63/49/559036349.db2.gz HDWWGJQWVYRBOT-UDWIEESQSA-N 0 3 423.925 5.379 40 0 HKABHN O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1Cl ZINC000585261192 569030057 /nfs/dbraw/zinc/03/00/57/569030057.db2.gz BTGRSLFUNMPQFJ-TWJOJJKGSA-N 0 3 420.984 5.024 40 0 HKABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(F)c1 ZINC000585263199 569029983 /nfs/dbraw/zinc/02/99/83/569029983.db2.gz JWFNDCDUTBUVMH-NQHRYMMQSA-N 0 3 407.485 5.069 40 0 HKABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1cccc(F)c1Oc1ccccc1 ZINC000585263206 569030050 /nfs/dbraw/zinc/03/00/50/569030050.db2.gz MVROIDVSMCFROA-CQOQZXRMSA-N 0 3 407.485 5.069 40 0 HKABHN COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270742 569030244 /nfs/dbraw/zinc/03/02/44/569030244.db2.gz PURJQGPTTFWIIX-UHFFFAOYSA-N 0 3 419.352 5.535 40 0 HKABHN CC(=O)N1CCC[C@H](NCc2c(C)cccc2Cl)[C@@H]1Cc1cccc(Cl)c1 ZINC000585285435 569030283 /nfs/dbraw/zinc/03/02/83/569030283.db2.gz JTAPWMXCUTVPSR-VXKWHMMOSA-N 0 3 405.369 5.014 40 0 HKABHN CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000585292444 569030232 /nfs/dbraw/zinc/03/02/32/569030232.db2.gz MJKYUSOVPCLFTA-OYDLWJJNSA-N 0 3 401.978 5.798 40 0 HKABHN CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000585292537 569030263 /nfs/dbraw/zinc/03/02/63/569030263.db2.gz OGGQBFJGWXVYFU-OYDLWJJNSA-N 0 3 401.978 5.798 40 0 HKABHN