smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1ncc(C(=O)Nc2ccccc2CN2CCCCC2)c1C ZINC000019525911 202010555 /nfs/dbraw/zinc/01/05/55/202010555.db2.gz UKACJAJPUKPPRD-UHFFFAOYSA-N 0 3 340.471 3.840 40 0 EHABHN Cc1c2ccccc2oc1CN1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019566354 202010933 /nfs/dbraw/zinc/01/09/33/202010933.db2.gz LNSPZYYYAOQBNM-HZPDHXFCSA-N 0 3 342.483 3.815 40 0 EHABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCC1 ZINC000019589206 202012789 /nfs/dbraw/zinc/01/27/89/202012789.db2.gz RUCRIMSTWMYRLQ-SFHLNBCPSA-N 0 3 344.474 3.795 40 0 EHABHN Cc1cccc(CN2CCOC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219810 244181129 /nfs/dbraw/zinc/18/11/29/244181129.db2.gz DIGITLOTTSMHNS-LJQANCHMSA-N 0 3 347.462 3.629 40 0 EHABHN O=C1OC2=C(CCCC2)[C@H](N2CCCCC2)C12SCCCS2 ZINC000001565370 563392493 /nfs/dbraw/zinc/39/24/93/563392493.db2.gz OEYWTFIUIXVNHY-HNNXBMFYSA-N 0 3 339.526 3.792 40 0 EHABHN Cc1cc(C)c([C@@H]2SC(=N)N[C@H]2[C@H](O)c2ccccc2)c(C)c1 ZINC000035310479 563558284 /nfs/dbraw/zinc/55/82/84/563558284.db2.gz GUUSIDHEGVWPIO-KSZLIROESA-N 0 3 326.465 3.817 40 0 EHABHN O[C@H](CN1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(F)cc1 ZINC000012187992 563655396 /nfs/dbraw/zinc/65/53/96/563655396.db2.gz QYPSZQRUUKFIIA-LJQANCHMSA-N 0 3 339.410 3.800 40 0 EHABHN Cc1cc(-c2snnc2C2CCN(Cc3cccs3)CC2)on1 ZINC000019120821 563854026 /nfs/dbraw/zinc/85/40/26/563854026.db2.gz QMELRVXFYPCNQV-UHFFFAOYSA-N 0 3 346.481 3.943 40 0 EHABHN Cc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848721 563922331 /nfs/dbraw/zinc/92/23/31/563922331.db2.gz ZOCXZFNMIHBPET-IBGZPJMESA-N 0 3 340.442 3.663 40 0 EHABHN Cc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@H](C(C)(C)C)C3 ZINC000013564536 563930250 /nfs/dbraw/zinc/93/02/50/563930250.db2.gz GRSYENSKLBCVKD-ZDUSSCGKSA-N 0 3 344.528 3.560 40 0 EHABHN O=C1N(CC2CCCCC2)C[C@]12CCCN(CC1CC(F)(F)C1)C2 ZINC000585099643 563971397 /nfs/dbraw/zinc/97/13/97/563971397.db2.gz ULGAGRLMEOCHRF-GOSISDBHSA-N 0 3 340.458 3.536 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047588 563978278 /nfs/dbraw/zinc/97/82/78/563978278.db2.gz PWISKJJIVVAGDI-HKUYNNGSSA-N 0 3 330.403 3.573 40 0 EHABHN FC1(F)CCN(Cc2ccsc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051125 563978539 /nfs/dbraw/zinc/97/85/39/563978539.db2.gz RCIRRBSPFNUFDV-KRWDZBQOSA-N 0 3 349.450 3.881 40 0 EHABHN Fc1ccc(-c2ncnc3c2CCN(Cc2ccsc2)CC3)cc1 ZINC000096058699 563978815 /nfs/dbraw/zinc/97/88/15/563978815.db2.gz VGBHOEZUCSKODW-UHFFFAOYSA-N 0 3 339.439 3.945 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215723 563980224 /nfs/dbraw/zinc/98/02/24/563980224.db2.gz BGGZDTMDHVZJEW-GOSISDBHSA-N 0 3 331.485 3.533 40 0 EHABHN FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239573 563980544 /nfs/dbraw/zinc/98/05/44/563980544.db2.gz KWGYGWSVOKAZQB-QGZVFWFLSA-N 0 3 349.450 3.881 40 0 EHABHN Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccc(F)cc2F)[C@H]1O ZINC000585288945 563981952 /nfs/dbraw/zinc/98/19/52/563981952.db2.gz LNTINNOXCVKLJW-DFQSSKMNSA-N 0 3 347.405 3.724 40 0 EHABHN S=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000004856840 564005368 /nfs/dbraw/zinc/00/53/68/564005368.db2.gz AFWPNDFPLXLPJV-ALOPSCKCSA-N 0 3 341.480 3.762 40 0 EHABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC000009062735 564016572 /nfs/dbraw/zinc/01/65/72/564016572.db2.gz MLAKGUMVBMXBFL-UHFFFAOYSA-N 0 3 338.426 3.627 40 0 EHABHN Cc1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000016758571 564024675 /nfs/dbraw/zinc/02/46/75/564024675.db2.gz OTAWLNYSOMNYQC-NRFANRHFSA-N 0 3 339.479 3.689 40 0 EHABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000095534145 564141660 /nfs/dbraw/zinc/14/16/60/564141660.db2.gz KUVOMYYWRGIBDW-CQSZACIVSA-N 0 3 332.329 3.847 40 0 EHABHN COc1cccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564777 202011962 /nfs/dbraw/zinc/01/19/62/202011962.db2.gz MENBMEKKXXUJDA-CQSZACIVSA-N 0 3 341.436 3.796 40 0 EHABHN Cc1ncc2cc(C)nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n12 ZINC000257231648 244217794 /nfs/dbraw/zinc/21/77/94/244217794.db2.gz GHQATKYLVNLTRP-KRWDZBQOSA-N 0 3 338.430 3.865 40 0 EHABHN Fc1ccccc1CN1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389972 203213641 /nfs/dbraw/zinc/21/36/41/203213641.db2.gz AYTNDBMTQCSXOE-MRXNPFEDSA-N 0 3 338.386 3.650 40 0 EHABHN Cc1cncc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000257271653 244380331 /nfs/dbraw/zinc/38/03/31/244380331.db2.gz MZFKMQTTXCQSKL-UHFFFAOYSA-N 0 3 333.439 3.555 40 0 EHABHN O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000109753942 204291462 /nfs/dbraw/zinc/29/14/62/204291462.db2.gz DXBWMDGVTIWENM-UHFFFAOYSA-N 0 3 336.435 3.570 40 0 EHABHN Cc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408611599 257894166 /nfs/dbraw/zinc/89/41/66/257894166.db2.gz UHGRKZAHYIIXBM-NRFANRHFSA-N 0 3 334.463 3.658 40 0 EHABHN CC[C@H](OC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000006355966 563565837 /nfs/dbraw/zinc/56/58/37/563565837.db2.gz QBKYHGIVYNYNLB-SFTDATJTSA-N 0 3 325.452 3.574 40 0 EHABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000006883137 563590657 /nfs/dbraw/zinc/59/06/57/563590657.db2.gz XFZRSSNHFGPUPF-UHFFFAOYSA-N 0 3 337.822 3.919 40 0 EHABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1C ZINC000012292223 563657221 /nfs/dbraw/zinc/65/72/21/563657221.db2.gz ZVKXRAMOLDELCF-OAQYLSRUSA-N 0 3 339.479 3.629 40 0 EHABHN C=Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)c(C)n1 ZINC000012345357 563658467 /nfs/dbraw/zinc/65/84/67/563658467.db2.gz HQFFQMUCTUNDFA-WCRBZPEASA-N 0 3 337.467 3.615 40 0 EHABHN CC1CCN(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000038771411 563922064 /nfs/dbraw/zinc/92/20/64/563922064.db2.gz JUJYZSWTFAMBDP-UHFFFAOYSA-N 0 3 340.442 3.988 40 0 EHABHN CC(C)(C)OC(=O)N1CCC(NCc2cc(Cl)ccc2F)CC1 ZINC000067802904 563962795 /nfs/dbraw/zinc/96/27/95/563962795.db2.gz YAPOFKJYMFEHJH-UHFFFAOYSA-N 0 3 342.842 3.968 40 0 EHABHN COCC[C@H]1CCOC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000585104963 563971588 /nfs/dbraw/zinc/97/15/88/563971588.db2.gz MUIKJJFEXXEJKM-SFHVURJKSA-N 0 3 340.467 3.642 40 0 EHABHN Fc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)c1 ZINC000096047586 563978270 /nfs/dbraw/zinc/97/82/70/563978270.db2.gz PWGBGNBWEKZWBV-MSOLQXFVSA-N 0 3 332.444 3.733 40 0 EHABHN c1csc(CN2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057062 563978753 /nfs/dbraw/zinc/97/87/53/563978753.db2.gz NAOJBTKWWLSQQV-PKOBYXMFSA-N 0 3 344.480 3.593 40 0 EHABHN Cc1noc(C)c1CN1CCC2(CCCN(c3cccnc3)C2)CC1 ZINC000096071844 563979081 /nfs/dbraw/zinc/97/90/81/563979081.db2.gz YRIGGOZZBKOWBL-UHFFFAOYSA-N 0 3 340.471 3.569 40 0 EHABHN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(CC3CCCC3)C2)C1 ZINC000096202435 563980162 /nfs/dbraw/zinc/98/01/62/563980162.db2.gz JQTVHOCVKYUNDF-UHFFFAOYSA-N 0 3 346.902 3.607 40 0 EHABHN COc1cccc(N[C@@H]2COC3(C2)CCN(Cc2ccco2)CC3)c1 ZINC000096221389 563980427 /nfs/dbraw/zinc/98/04/27/563980427.db2.gz KQKNUOLQBTVROD-KRWDZBQOSA-N 0 3 342.439 3.524 40 0 EHABHN Cc1cccc(CN2CCc3ncnc(-c4ccsc4)c3CC2)n1 ZINC000096255338 563980639 /nfs/dbraw/zinc/98/06/39/563980639.db2.gz YEPCDDIGVSUJNV-UHFFFAOYSA-N 0 3 336.464 3.509 40 0 EHABHN O=C(CNCC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000529 564005621 /nfs/dbraw/zinc/00/56/21/564005621.db2.gz LJRDXVKDSKNNFK-UHFFFAOYSA-N 0 3 330.350 3.694 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)NCC3=CCCCC3)CC2)c1 ZINC000224528135 564043064 /nfs/dbraw/zinc/04/30/64/564043064.db2.gz GKLBBNFZTYLRSA-UHFFFAOYSA-N 0 3 326.484 3.824 40 0 EHABHN CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225611289 564048404 /nfs/dbraw/zinc/04/84/04/564048404.db2.gz UJAMDTJTJLCSSO-FQEVSTJZSA-N 0 3 348.487 3.695 40 0 EHABHN Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000257343576 564055794 /nfs/dbraw/zinc/05/57/94/564055794.db2.gz ZTNUYEYHQTUQEB-INIZCTEOSA-N 0 3 327.476 3.817 40 0 EHABHN Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN(Cc4ccccc4)C3)n2)n1 ZINC000257339413 564055728 /nfs/dbraw/zinc/05/57/28/564055728.db2.gz ZBPHHHOOCXCFGA-GOSISDBHSA-N 0 3 347.466 3.863 40 0 EHABHN COc1ccccc1CNCCc1cc(OC)c(C)c(C)c1OC ZINC000095726639 564072966 /nfs/dbraw/zinc/07/29/66/564072966.db2.gz VDAUMFACIMNTDA-UHFFFAOYSA-N 0 3 329.440 3.662 40 0 in-vitro EHABHN CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527187 202010130 /nfs/dbraw/zinc/01/01/30/202010130.db2.gz LKVAAVZFHDAWSA-LJQANCHMSA-N 0 3 327.447 3.707 40 0 EHABHN CN(C)CCN(Cc1cccs1)Cc1ccc2ccccc2n1 ZINC000023247855 202100681 /nfs/dbraw/zinc/10/06/81/202100681.db2.gz RBWWQFIKZNNSNG-UHFFFAOYSA-N 0 3 325.481 3.860 40 0 EHABHN COc1ccccc1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000255187951 201187453 /nfs/dbraw/zinc/18/74/53/201187453.db2.gz HVINDOBAFOMWHY-WKILWMFISA-N 0 3 334.460 3.621 40 0 EHABHN Fc1ccc(-c2[nH]c3ncccc3c2CN2CCSCC2)cc1 ZINC000072343202 203203543 /nfs/dbraw/zinc/20/35/43/203203543.db2.gz UUTAHVRCRYDZHU-UHFFFAOYSA-N 0 3 327.428 3.918 40 0 EHABHN c1cnc([N-]c2nccc([C@H]3CCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377845 203208458 /nfs/dbraw/zinc/20/84/58/203208458.db2.gz TXILFNLYSNFMCW-QGZVFWFLSA-N 0 3 338.459 3.727 40 0 EHABHN c1cnc([N-]c2nccc([C@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377845 203208461 /nfs/dbraw/zinc/20/84/61/203208461.db2.gz TXILFNLYSNFMCW-QGZVFWFLSA-N 0 3 338.459 3.727 40 0 EHABHN CC[C@H]1[C@H](O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 ZINC000102063705 204030140 /nfs/dbraw/zinc/03/01/40/204030140.db2.gz WBWWKIRERSPQIP-BURNTYAHSA-N 0 3 341.451 3.867 40 0 EHABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cccnc1 ZINC000257274472 536359340 /nfs/dbraw/zinc/35/93/40/536359340.db2.gz NLEBNLGANQNPHC-SLFFLAALSA-N 0 3 335.451 3.522 40 0 EHABHN c1ccc(Cn2nc(OCCN3CCCCC3)c3ccccc32)cc1 ZINC000001667227 563401049 /nfs/dbraw/zinc/40/10/49/563401049.db2.gz BAWYXFSIQCGHAP-UHFFFAOYSA-N 0 3 335.451 3.949 40 0 EHABHN C[C@H]1Cc2cc(CN(C)Cc3cc(=O)[nH]c4ccccc34)ccc2O1 ZINC000012188480 563655816 /nfs/dbraw/zinc/65/58/16/563655816.db2.gz JJAYGAQJJDQZDA-AWEZNQCLSA-N 0 3 334.419 3.896 40 0 EHABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)C1CCCCC1 ZINC000012337239 563658579 /nfs/dbraw/zinc/65/85/79/563658579.db2.gz WEGIDFZCGANHPW-UHFFFAOYSA-N 0 3 340.511 3.879 40 0 EHABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046373 563978111 /nfs/dbraw/zinc/97/81/11/563978111.db2.gz ANUFKRYZRYRWAP-BHYGNILZSA-N 0 3 329.469 3.507 40 0 EHABHN O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1 ZINC000096050714 563978496 /nfs/dbraw/zinc/97/84/96/563978496.db2.gz YOPVSXDZQAAMHC-GOSISDBHSA-N 0 3 330.428 3.516 40 0 EHABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058441 563978797 /nfs/dbraw/zinc/97/87/97/563978797.db2.gz MCCIKYFKNXEUPM-VQTJNVASSA-N 0 3 340.492 3.513 40 0 EHABHN c1csc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106081 563979231 /nfs/dbraw/zinc/97/92/31/563979231.db2.gz OQBGMIYQGFRIKZ-QGZVFWFLSA-N 0 3 344.480 3.593 40 0 EHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100750198 563982745 /nfs/dbraw/zinc/98/27/45/563982745.db2.gz DHPDZUDBBCOSQP-SOLBZPMBSA-N 0 3 331.504 3.653 40 0 EHABHN C[C@@H](O)c1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)cc1 ZINC000022108693 564034241 /nfs/dbraw/zinc/03/42/41/564034241.db2.gz WNXUVCSZBVBDCJ-FOIQADDNSA-N 0 3 337.419 3.823 40 0 EHABHN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225618382 564048499 /nfs/dbraw/zinc/04/84/99/564048499.db2.gz LECWSRIQJTZQBV-HXUWFJFHSA-N 0 3 348.487 3.695 40 0 EHABHN CN1C[C@@H]2N(Cc3ccsc3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306143713 564062373 /nfs/dbraw/zinc/06/23/73/564062373.db2.gz YKHGBASRRORODF-AZUAARDMSA-N 0 3 340.492 3.513 40 0 EHABHN Fc1cnccc1CN1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC000063527160 564066360 /nfs/dbraw/zinc/06/63/60/564066360.db2.gz GPAZGYGAMZETFP-GOSISDBHSA-N 0 3 326.415 3.759 40 0 EHABHN CCn1cc(CN(Cc2cccs2)C[C@H]2CCCN2CC)c(C)n1 ZINC000019524502 202010009 /nfs/dbraw/zinc/01/00/09/202010009.db2.gz NDUYZOXIUSOOFZ-GOSISDBHSA-N 0 3 346.544 3.759 40 0 EHABHN Cc1cc(C)c2c(NC3CCN(Cc4ccccc4)CC3)n[nH]c2n1 ZINC000019657276 202015550 /nfs/dbraw/zinc/01/55/50/202015550.db2.gz LRBOGAMIZHTMMB-UHFFFAOYSA-N 0 3 335.455 3.651 40 0 EHABHN O=C(NCc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220788 202167284 /nfs/dbraw/zinc/16/72/84/202167284.db2.gz MDPRGUCLBBDVFL-SFHVURJKSA-N 0 3 342.870 3.868 40 0 EHABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000030946917 202201515 /nfs/dbraw/zinc/20/15/15/202201515.db2.gz CNZHTOQFNDCQJH-SFHVURJKSA-N 0 3 338.426 3.627 40 0 EHABHN CCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547709 202345488 /nfs/dbraw/zinc/34/54/88/202345488.db2.gz ZZXFHCAMMTZFRE-UHFFFAOYSA-N 0 3 336.479 3.891 40 0 EHABHN CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225726971 242008177 /nfs/dbraw/zinc/00/81/77/242008177.db2.gz AEMNDZYSPOZKEE-UHFFFAOYSA-N 0 3 348.487 3.695 40 0 EHABHN Cc1c[nH]c([C@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257219672 244176229 /nfs/dbraw/zinc/17/62/29/244176229.db2.gz DHPZTYCIJVIUAO-ZDUSSCGKSA-N 0 3 327.457 3.549 40 0 EHABHN Cc1ccc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)s1 ZINC000257224236 244194956 /nfs/dbraw/zinc/19/49/56/244194956.db2.gz FAXKKRMKFMQBHK-QGZVFWFLSA-N 0 3 330.501 3.554 40 0 EHABHN COc1cccc2c1OC1(CCN(C(C)C)CC1)[C@H]1CCCO[C@H]21 ZINC000257226233 244202016 /nfs/dbraw/zinc/20/20/16/244202016.db2.gz FJSQJGULXMYTNJ-FUHWJXTLSA-N 0 3 331.456 3.798 40 0 EHABHN COc1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378684 203210505 /nfs/dbraw/zinc/21/05/05/203210505.db2.gz MVODCBVWAMWISG-SFHVURJKSA-N 0 3 348.450 3.656 40 0 EHABHN C=Cn1cc(CN2CCC[C@@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361001 203206706 /nfs/dbraw/zinc/20/67/06/203206706.db2.gz NCPHHEPAEQFJEM-QGZVFWFLSA-N 0 3 348.450 3.513 40 0 EHABHN Fc1ccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390023 203213109 /nfs/dbraw/zinc/21/31/09/203213109.db2.gz HFKSSBWFECCKJH-OAHLLOKOSA-N 0 3 338.386 3.650 40 0 EHABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(C)o3)C2)o1 ZINC000049170026 204369159 /nfs/dbraw/zinc/36/91/59/204369159.db2.gz VAGYCSOUXOPHFH-AWEZNQCLSA-N 0 3 339.395 3.636 40 0 biogenic,in-vitro EHABHN O=C(c1ccccc1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257228542 257916476 /nfs/dbraw/zinc/91/64/76/257916476.db2.gz FUFQOYOFCDZGSD-FQEVSTJZSA-N 0 3 335.451 3.655 40 0 EHABHN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCCN(C)C)c1C ZINC000004980186 563516638 /nfs/dbraw/zinc/51/66/38/563516638.db2.gz GTCJGLXECMCTOG-UHFFFAOYSA-N 0 3 343.862 3.640 40 0 EHABHN CCOCCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000008253209 563624723 /nfs/dbraw/zinc/62/47/23/563624723.db2.gz DUIONGTYQGYHLJ-UHFFFAOYSA-N 0 3 347.430 3.930 40 0 EHABHN COc1cccc(-c2n[nH]cc2CN(C)CCOc2ccccc2)c1 ZINC000012116820 563653877 /nfs/dbraw/zinc/65/38/77/563653877.db2.gz GNBYCKMLVKADOB-UHFFFAOYSA-N 0 3 337.423 3.596 40 0 EHABHN Cc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012337356 563658479 /nfs/dbraw/zinc/65/84/79/563658479.db2.gz MVAIPPHBECNDJR-UHFFFAOYSA-N 0 3 349.438 3.523 40 0 EHABHN CC1(C)[C@H](OC[C@@H](O)CN2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000033534413 563950122 /nfs/dbraw/zinc/95/01/22/563950122.db2.gz QJAWMQQAZFJDAY-BPBCIEFSSA-N 0 3 343.511 3.637 40 0 EHABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057047 563978655 /nfs/dbraw/zinc/97/86/55/563978655.db2.gz ZPCCGJGMBOWHNR-WOJBJXKFSA-N 0 3 333.472 3.858 40 0 EHABHN Cc1cc(CN2CC[C@]3(C2)CCCN(Cc2nccs2)C3)oc1C ZINC000096215824 563980285 /nfs/dbraw/zinc/98/02/85/563980285.db2.gz RHQQRZZVKRHPGO-LJQANCHMSA-N 0 3 345.512 3.841 40 0 EHABHN O=C(Nc1ccc(CN2CCCCC2)cc1)C(Cl)(Cl)Cl ZINC000005996883 564014424 /nfs/dbraw/zinc/01/44/24/564014424.db2.gz TXKBEKNLVROGAH-UHFFFAOYSA-N 0 3 335.662 3.981 40 0 EHABHN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000044912765 564128553 /nfs/dbraw/zinc/12/85/53/564128553.db2.gz BAKGSSKRDQSLGS-PXNSSMCTSA-N 0 3 334.463 3.876 40 0 EHABHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@H]1c1cccs1 ZINC000110619648 564133681 /nfs/dbraw/zinc/13/36/81/564133681.db2.gz OLGQEWYLKUJKMS-KGYPOUGPSA-N 0 3 330.453 3.554 40 0 EHABHN CC(C)N1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112251 564145405 /nfs/dbraw/zinc/14/54/05/564145405.db2.gz FMEKQHYLCPHZRQ-RISCZKNCSA-N 0 3 345.340 3.529 40 0 biogenic,in-vitro EHABHN Cc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096269372 564146218 /nfs/dbraw/zinc/14/62/18/564146218.db2.gz ZODFQFFVGHAXBM-IBGZPJMESA-N 0 3 333.435 3.547 40 0 biogenic,in-vitro EHABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 ZINC000008254560 291000660 /nfs/dbraw/zinc/00/06/60/291000660.db2.gz REDLAXLXLHLQSW-XYJFISCASA-N 0 3 331.529 3.710 40 0 biogenic,in-vitro EHABHN O=C1NC2(C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)Nc2ccccc21 ZINC000019371576 202005144 /nfs/dbraw/zinc/00/51/44/202005144.db2.gz PAMHMYVZZKNTPU-VSOVRNOCSA-N 0 3 347.462 3.755 40 0 EHABHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039750598 202163228 /nfs/dbraw/zinc/16/32/28/202163228.db2.gz DOTIVKFCNFGCJK-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN Cc1ccc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)s1 ZINC000257224235 244194360 /nfs/dbraw/zinc/19/43/60/244194360.db2.gz FAXKKRMKFMQBHK-KRWDZBQOSA-N 0 3 330.501 3.554 40 0 EHABHN Cc1nccc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242144 244247803 /nfs/dbraw/zinc/24/78/03/244247803.db2.gz IBGXDFCUOJGZFP-QGZVFWFLSA-N 0 3 333.439 3.555 40 0 EHABHN Cc1ccsc1CN1CCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257234600 244223058 /nfs/dbraw/zinc/22/30/58/244223058.db2.gz GUHVOPZEEQFZNL-INIZCTEOSA-N 0 3 339.468 3.882 40 0 EHABHN Fc1cccc(C[C@@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)c1 ZINC000257237971 244235706 /nfs/dbraw/zinc/23/57/06/244235706.db2.gz HJAZOTILPBYWIL-HXUWFJFHSA-N 0 3 340.442 3.835 40 0 EHABHN CN1CC[C@@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352600 203205439 /nfs/dbraw/zinc/20/54/39/203205439.db2.gz IDWRRYXNOQIPFU-CYBMUJFWSA-N 0 3 328.481 3.993 40 0 EHABHN C[C@@H](NCc1cc(-c2ccccc2)cn2nnnc12)c1cccs1 ZINC000072392388 203213093 /nfs/dbraw/zinc/21/30/93/203213093.db2.gz VYGLHJCVTGZZOH-CYBMUJFWSA-N 0 3 335.436 3.704 40 0 EHABHN Fc1ccccc1CN1CCC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389945 203214120 /nfs/dbraw/zinc/21/41/20/203214120.db2.gz DSOYQMFWYPKGQE-INIZCTEOSA-N 0 3 338.386 3.650 40 0 EHABHN CCOc1ccc(CN(CCN2CCCCC2)c2ccccn2)cc1 ZINC000001602382 563396118 /nfs/dbraw/zinc/39/61/18/563396118.db2.gz UUVLBFFOOKLTGS-UHFFFAOYSA-N 0 3 339.483 3.973 40 0 EHABHN C[C@H]1C[C@@H](OC[C@H](O)CN2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073900 563520930 /nfs/dbraw/zinc/52/09/30/563520930.db2.gz QUUUPSHLTILKRI-PWIZWCRZSA-N 0 3 331.500 3.637 40 0 EHABHN CN1Cc2ccccc2CC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096063608 563979009 /nfs/dbraw/zinc/97/90/09/563979009.db2.gz MRDAHVNOVSSPFV-UHFFFAOYSA-N 0 3 340.492 3.545 40 0 EHABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccsc1)C2 ZINC000096100321 563979241 /nfs/dbraw/zinc/97/92/41/563979241.db2.gz WQHPJIHCTQCVBD-HXUWFJFHSA-N 0 3 338.476 3.648 40 0 EHABHN Fc1cccc(CN2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215807 563980197 /nfs/dbraw/zinc/98/01/97/563980197.db2.gz WILAZDUQWKHPQA-IBGZPJMESA-N 0 3 345.487 3.770 40 0 EHABHN Clc1ncccc1-c1noc(CN2CCC[C@H]3CCCC[C@H]32)n1 ZINC000253492699 564124630 /nfs/dbraw/zinc/12/46/30/564124630.db2.gz QVJFQLVCYIEWOD-TZMCWYRMSA-N 0 3 332.835 3.940 40 0 EHABHN Cc1cccc(C2(O)CCN(Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000019234519 202001508 /nfs/dbraw/zinc/00/15/08/202001508.db2.gz RJQBDYMQTMBELW-UHFFFAOYSA-N 0 3 347.462 3.664 40 0 EHABHN CCSC1(SCC)C(=O)OC2=C(CCCCC2)[C@@H]1N(C)C ZINC000031759749 202209942 /nfs/dbraw/zinc/20/99/42/202209942.db2.gz CCUKNXILYRZVMB-AWEZNQCLSA-N 0 3 329.531 3.894 40 0 EHABHN COc1ccc(CCNCc2cn(C3CCCC3)nc2C)cc1OC ZINC000256054116 244066170 /nfs/dbraw/zinc/06/61/70/244066170.db2.gz UZHAVWUANHRYOL-UHFFFAOYSA-N 0 3 343.471 3.656 40 0 EHABHN C=Cn1cc(CN2CCC[C@H](c3cc4ccccc4c(=O)[nH]3)C2)c(C)n1 ZINC000072361000 203206087 /nfs/dbraw/zinc/20/60/87/203206087.db2.gz NCPHHEPAEQFJEM-KRWDZBQOSA-N 0 3 348.450 3.513 40 0 EHABHN Cc1cncc(C2CCN(Cc3ccccc3N3CCCC3)CC2)n1 ZINC000257251883 244271505 /nfs/dbraw/zinc/27/15/05/244271505.db2.gz JSRRJKVLBFXHDA-UHFFFAOYSA-N 0 3 336.483 3.765 40 0 EHABHN Fc1ccccc1CN1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389971 203213780 /nfs/dbraw/zinc/21/37/80/203213780.db2.gz AYTNDBMTQCSXOE-INIZCTEOSA-N 0 3 338.386 3.650 40 0 EHABHN Cc1nccc([C@@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267222 244364014 /nfs/dbraw/zinc/36/40/14/244364014.db2.gz MGLCVMFBXGWVGC-CQSZACIVSA-N 0 3 339.468 3.616 40 0 EHABHN COc1c2c(cc3c1[C@H](CCCc1ccccc1)N(C)CC3)OCO2 ZINC000001580883 563393859 /nfs/dbraw/zinc/39/38/59/563393859.db2.gz NGWNBLVYNIGAGH-KRWDZBQOSA-N 0 3 339.435 3.976 40 0 EHABHN CC[C@H](OC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000002694626 563445889 /nfs/dbraw/zinc/44/58/89/563445889.db2.gz QBKYHGIVYNYNLB-RTWAWAEBSA-N 0 3 325.452 3.574 40 0 EHABHN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2C)c1 ZINC000012085298 563653163 /nfs/dbraw/zinc/65/31/63/563653163.db2.gz IEMFLXBMDNLARJ-CDXJDZJCSA-N 0 3 338.451 3.831 40 0 EHABHN FC(F)(F)c1cc(N2CCNCC2)c2cccc(C(F)(F)F)c2n1 ZINC000019721416 563856492 /nfs/dbraw/zinc/85/64/92/563856492.db2.gz MIGQWBMOCOHDID-UHFFFAOYSA-N 0 3 349.278 3.682 40 0 EHABHN O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000039757478 563901125 /nfs/dbraw/zinc/90/11/25/563901125.db2.gz QFMNSXHRRIBYIB-UHFFFAOYSA-N 0 3 330.378 3.816 40 0 EHABHN COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038834187 563922337 /nfs/dbraw/zinc/92/23/37/563922337.db2.gz WBCKPQSDMVWFQH-MRXNPFEDSA-N 0 3 342.414 3.685 40 0 EHABHN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038834271 563922391 /nfs/dbraw/zinc/92/23/91/563922391.db2.gz QGKRTJXLBHSKIU-SFHVURJKSA-N 0 3 338.451 3.936 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)o1 ZINC000585105533 563971570 /nfs/dbraw/zinc/97/15/70/563971570.db2.gz ZAFDSONAZNVXHE-SFHVURJKSA-N 0 3 333.472 3.776 40 0 EHABHN Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@@H](N(C)Cc3ccco3)[C@@H]2C1 ZINC000096054580 563978747 /nfs/dbraw/zinc/97/87/47/563978747.db2.gz QBOZYILEXJSWSU-CGTJXYLNSA-N 0 3 342.439 3.554 40 0 EHABHN CC1SC(=N)N(c2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000005001301 564005676 /nfs/dbraw/zinc/00/56/76/564005676.db2.gz AEJTVKFGWPEVNY-MRVPVSSYSA-N 0 3 337.857 3.790 40 0 EHABHN COc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000009062999 564016568 /nfs/dbraw/zinc/01/65/68/564016568.db2.gz ZFNHHMYUFXGMGX-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN COc1ccc2[nH]c(CN3CC[C@H](c4nc(C)cc(C)n4)C3)cc2c1 ZINC000257327623 564055477 /nfs/dbraw/zinc/05/54/77/564055477.db2.gz XCBVSSNSDNFRNE-HNNXBMFYSA-N 0 3 336.439 3.573 40 0 EHABHN Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccco4)C2)C3)cc1 ZINC000306132153 564062193 /nfs/dbraw/zinc/06/21/93/564062193.db2.gz LACJGGGCLAIBRS-FQEVSTJZSA-N 0 3 337.398 3.731 40 0 EHABHN O[C@H](CN1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350255 564127943 /nfs/dbraw/zinc/12/79/43/564127943.db2.gz QCNGGSIXHAHXHM-GDBMZVCRSA-N 0 3 335.444 3.712 40 0 EHABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832853 564128477 /nfs/dbraw/zinc/12/84/77/564128477.db2.gz TZJGCXIBJFIDOF-LPHOPBHVSA-N 0 3 340.442 3.915 40 0 EHABHN Clc1ccc(CN2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000019346666 202005099 /nfs/dbraw/zinc/00/50/99/202005099.db2.gz YPCQAPVMRRFLOJ-UHFFFAOYSA-N 0 3 326.831 3.922 40 0 EHABHN C[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019463441 202009288 /nfs/dbraw/zinc/00/92/88/202009288.db2.gz LIADLCRLGJFXFF-OITRIXBGSA-N 0 3 344.474 3.651 40 0 EHABHN CCN1CCN(Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019528210 202010098 /nfs/dbraw/zinc/01/00/98/202010098.db2.gz SVMJWFLIAPBRJG-UHFFFAOYSA-N 0 3 338.430 3.507 40 0 EHABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)c1 ZINC000257244332 244253996 /nfs/dbraw/zinc/25/39/96/244253996.db2.gz IKVDIYDLLLOMBJ-INIZCTEOSA-N 0 3 346.434 3.610 40 0 EHABHN CC(C)(C)c1[nH]c2ncccc2c1CN1CCN2CCCC[C@@H]2C1 ZINC000072393642 203214067 /nfs/dbraw/zinc/21/40/67/203214067.db2.gz SYCQOPTYMGTNAF-OAHLLOKOSA-N 0 3 326.488 3.531 40 0 EHABHN Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 ZINC000049169440 204370357 /nfs/dbraw/zinc/37/03/57/204370357.db2.gz ZPNRCKMRFJHMSI-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 biogenic,in-vitro EHABHN c1csc(-c2cnc3n2CC[C@]32CCN(Cc3ccccn3)C2)c1 ZINC000306133481 257921705 /nfs/dbraw/zinc/92/17/05/257921705.db2.gz MMXWELIBPRNKBS-IBGZPJMESA-N 0 3 336.464 3.554 40 0 EHABHN Cc1ccc(OCC(COc2ccc(C)cc2)OCCN(C)C)cc1 ZINC000001707033 563405639 /nfs/dbraw/zinc/40/56/39/563405639.db2.gz JQCNABKFHCVASI-UHFFFAOYSA-N 0 3 343.467 3.708 40 0 EHABHN CCOc1c(Br)cc(Br)cc1CNC1CC1 ZINC000008253301 563624775 /nfs/dbraw/zinc/62/47/75/563624775.db2.gz BEYNOUDNTJZVCD-UHFFFAOYSA-N 0 3 349.066 3.862 40 0 EHABHN Cc1cccc(C2(O)CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000012147620 563655139 /nfs/dbraw/zinc/65/51/39/563655139.db2.gz XJDDOUJXRAZXQO-UHFFFAOYSA-N 0 3 347.462 3.869 40 0 EHABHN CCN1CCC[C@@H]1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 ZINC000012222127 563656184 /nfs/dbraw/zinc/65/61/84/563656184.db2.gz DRCLWTVEGSZKNL-OAHLLOKOSA-N 0 3 349.438 3.695 40 0 EHABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000012292453 563657347 /nfs/dbraw/zinc/65/73/47/563657347.db2.gz YWYREWVIGHWIDF-LJQANCHMSA-N 0 3 345.870 3.665 40 0 EHABHN Clc1ncccc1-c1noc(CN2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000013265809 563693534 /nfs/dbraw/zinc/69/35/34/563693534.db2.gz QVJFQLVCYIEWOD-OCCSQVGLSA-N 0 3 332.835 3.940 40 0 EHABHN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 ZINC000019019523 563853340 /nfs/dbraw/zinc/85/33/40/563853340.db2.gz IUMUXNIYMHBKSD-UFYCRDLUSA-N 0 3 340.492 3.585 40 0 EHABHN Cc1ccc(CN2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000096046355 563978049 /nfs/dbraw/zinc/97/80/49/563978049.db2.gz DXFGISWPCUOKSF-JCGIZDLHSA-N 0 3 329.469 3.507 40 0 EHABHN COc1ccc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047783 563978334 /nfs/dbraw/zinc/97/83/34/563978334.db2.gz NJTYZCJSKBPFRT-LJQANCHMSA-N 0 3 338.451 3.629 40 0 EHABHN Cc1ccc(C(=O)N2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)o1 ZINC000096051593 563978696 /nfs/dbraw/zinc/97/86/96/563978696.db2.gz MVPQXXUPMJQDTA-GOSISDBHSA-N 0 3 342.439 3.698 40 0 EHABHN CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 ZINC000096061430 563978924 /nfs/dbraw/zinc/97/89/24/563978924.db2.gz ATHBREHGDHGTNP-GOSISDBHSA-N 0 3 340.492 3.729 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)s1 ZINC000096161272 563979858 /nfs/dbraw/zinc/97/98/58/563979858.db2.gz RDXOMUKGUPBFLS-UHFFFAOYSA-N 0 3 340.492 3.511 40 0 EHABHN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000004019140 564004667 /nfs/dbraw/zinc/00/46/67/564004667.db2.gz OTTUUPAQKHWADJ-ZHNGQKSSSA-N 0 3 345.527 3.883 40 0 EHABHN CC[C@H]1[C@@H](O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 ZINC000004133169 564026588 /nfs/dbraw/zinc/02/65/88/564026588.db2.gz WBWWKIRERSPQIP-JSXRDJHFSA-N 0 3 341.451 3.867 40 0 EHABHN O=C(Cc1ccc(-c2ccccc2)cc1)NCCN1CCCCCC1 ZINC000224975845 564044157 /nfs/dbraw/zinc/04/41/57/564044157.db2.gz SLKTYVLIGVEBRN-UHFFFAOYSA-N 0 3 336.479 3.888 40 0 EHABHN Cc1c[nH]c(-c2cc(CC3CCN(Cc4ccccc4)CC3)ncn2)n1 ZINC000257289687 564054832 /nfs/dbraw/zinc/05/48/32/564054832.db2.gz PZURKEUFARJZKS-UHFFFAOYSA-N 0 3 347.466 3.630 40 0 EHABHN Fc1cccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293787 202002720 /nfs/dbraw/zinc/00/27/20/202002720.db2.gz HSTIACCKKDHAAS-CYBMUJFWSA-N 0 3 329.400 3.927 40 0 EHABHN COc1ccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554926 202011402 /nfs/dbraw/zinc/01/14/02/202011402.db2.gz YGLUDMUXRWIHLM-CQSZACIVSA-N 0 3 341.436 3.796 40 0 EHABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CCC1 ZINC000019590176 202012569 /nfs/dbraw/zinc/01/25/69/202012569.db2.gz QWVWFTJBEUKGLQ-VAMGGRTRSA-N 0 3 326.484 3.656 40 0 EHABHN Cc1cc(N(C)C)cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000019570268 202012965 /nfs/dbraw/zinc/01/29/65/202012965.db2.gz NPFUMKBWXOOYSK-INIZCTEOSA-N 0 3 341.430 3.615 40 0 EHABHN Clc1cccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389919 203213381 /nfs/dbraw/zinc/21/33/81/203213381.db2.gz RTKIMRSEPVOONV-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 EHABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746898 204246828 /nfs/dbraw/zinc/24/68/28/204246828.db2.gz MYTKXKSDQRWZNI-WMZOPIPTSA-N 0 3 346.471 3.533 40 0 EHABHN Cn1c2ccccc2nc1[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049171169 204369413 /nfs/dbraw/zinc/36/94/13/204369413.db2.gz JVKRSAITKZJWCY-AWEZNQCLSA-N 0 3 327.378 3.841 40 0 biogenic,in-vitro EHABHN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000006617283 563574680 /nfs/dbraw/zinc/57/46/80/563574680.db2.gz QJAWMQQAZFJDAY-VMBXEPDQSA-N 0 3 343.511 3.637 40 0 EHABHN Cn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012363515 563658819 /nfs/dbraw/zinc/65/88/19/563658819.db2.gz FIQQDFSFPOZCFJ-UHFFFAOYSA-N 0 3 338.426 3.801 40 0 EHABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048742 563978367 /nfs/dbraw/zinc/97/83/67/563978367.db2.gz PGCPLEKOECIORY-IBGZPJMESA-N 0 3 344.455 3.906 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)o1 ZINC000096061332 563978870 /nfs/dbraw/zinc/97/88/70/563978870.db2.gz VZWVBGCMXPSUAV-LJQANCHMSA-N 0 3 338.451 3.569 40 0 EHABHN Cc1ccc(CN2CCC3(CC[C@@H](c4nc(C)no4)O3)CC2)s1 ZINC000096218531 563980408 /nfs/dbraw/zinc/98/04/08/563980408.db2.gz IHJRZFTYGAGLOY-HNNXBMFYSA-N 0 3 333.457 3.634 40 0 EHABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3cccc(F)c3)[C@H]2O)c1 ZINC000585289906 563982028 /nfs/dbraw/zinc/98/20/28/563982028.db2.gz XATMWXPLCSIBLQ-XUVXKRRUSA-N 0 3 329.415 3.585 40 0 EHABHN COc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000138987092 563999947 /nfs/dbraw/zinc/99/99/47/563999947.db2.gz MFBMXKQNNWDQKP-UHFFFAOYSA-N 0 3 338.451 3.611 40 0 EHABHN COc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1 ZINC000004857012 564005424 /nfs/dbraw/zinc/00/54/24/564005424.db2.gz JSQQZZKZFHXRRY-ZXFUBFMLSA-N 0 3 345.512 3.530 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120005 564052971 /nfs/dbraw/zinc/05/29/71/564052971.db2.gz MXPXKLFLAOYKER-DFQSSKMNSA-N 0 3 338.451 3.652 40 0 EHABHN CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257315117 564055293 /nfs/dbraw/zinc/05/52/93/564055293.db2.gz UZZAAGACPILTLU-ZOBUZTSGSA-N 0 3 340.389 3.900 40 0 EHABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257338897 564055718 /nfs/dbraw/zinc/05/57/18/564055718.db2.gz YZIOXMHRGHXPHS-PXNSSMCTSA-N 0 3 343.446 3.704 40 0 EHABHN c1csc(-c2cnc3n2CC[C@@]32CCN(Cc3ccccn3)C2)c1 ZINC000306133482 564062276 /nfs/dbraw/zinc/06/22/76/564062276.db2.gz MMXWELIBPRNKBS-LJQANCHMSA-N 0 3 336.464 3.554 40 0 EHABHN Cc1ccc2[nH]c(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112304 564145356 /nfs/dbraw/zinc/14/53/56/564145356.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 0 3 331.435 3.743 40 0 biogenic,in-vitro EHABHN Cc1ccc2nc(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2c1 ZINC000096112304 564145357 /nfs/dbraw/zinc/14/53/57/564145357.db2.gz OUGXUNDKYIDABE-QAPCUYQASA-N 0 3 331.435 3.743 40 0 biogenic,in-vitro EHABHN Cc1ccccc1CN1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019237174 202000611 /nfs/dbraw/zinc/00/06/11/202000611.db2.gz AWGOYHIJJVTIST-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN Cc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019234955 202001394 /nfs/dbraw/zinc/00/13/94/202001394.db2.gz IDUKSXPUHOAWIQ-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN C[C@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019463443 202009167 /nfs/dbraw/zinc/00/91/67/202009167.db2.gz LIADLCRLGJFXFF-UPWFSPPHSA-N 0 3 344.474 3.651 40 0 EHABHN CC1CCN(Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000020460456 202043873 /nfs/dbraw/zinc/04/38/73/202043873.db2.gz FPKFDSDOSGRMBN-SXLOBPIMSA-N 0 3 326.484 3.837 40 0 EHABHN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225738285 242012023 /nfs/dbraw/zinc/01/20/23/242012023.db2.gz UDLOLDIBPDCUFO-LJQANCHMSA-N 0 3 336.476 3.551 40 0 EHABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359049 203204451 /nfs/dbraw/zinc/20/44/51/203204451.db2.gz JZGYMJWZPLDJGB-LJQANCHMSA-N 0 3 347.466 3.565 40 0 EHABHN OC1(c2nccc3ccccc32)CCN(CCc2ccccc2)CC1 ZINC000001558860 563391813 /nfs/dbraw/zinc/39/18/13/563391813.db2.gz DLOSWHIIWSQXCC-UHFFFAOYSA-N 0 3 332.447 3.761 40 0 EHABHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1cccs1 ZINC000008254727 563625111 /nfs/dbraw/zinc/62/51/11/563625111.db2.gz OSVUPTVHFPVYBT-UHFFFAOYSA-N 0 3 335.469 3.586 40 0 EHABHN CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1ccccc1 ZINC000008326360 563626901 /nfs/dbraw/zinc/62/69/01/563626901.db2.gz KPCULODWBBTYEA-SFHVURJKSA-N 0 3 329.440 3.525 40 0 EHABHN CC(C)CN1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101927 563971487 /nfs/dbraw/zinc/97/14/87/563971487.db2.gz LSGKVDWWEUMTIE-NRFANRHFSA-N 0 3 337.467 3.571 40 0 EHABHN Cc1cccc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)n1 ZINC000585105454 563971547 /nfs/dbraw/zinc/97/15/47/563971547.db2.gz WVXZPZHIUMJEIB-LJQANCHMSA-N 0 3 344.499 3.578 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051580 563978580 /nfs/dbraw/zinc/97/85/80/563978580.db2.gz AXYOHUIXRYLTAV-QGZVFWFLSA-N 0 3 344.480 3.858 40 0 EHABHN COc1cccc(N[C@H]2COC3(C2)CCN(Cc2ccco2)CC3)c1 ZINC000096221386 563980412 /nfs/dbraw/zinc/98/04/12/563980412.db2.gz KQKNUOLQBTVROD-QGZVFWFLSA-N 0 3 342.439 3.524 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096221684 563980446 /nfs/dbraw/zinc/98/04/46/563980446.db2.gz PVPVBUSMAOBHEO-KRWDZBQOSA-N 0 3 344.480 3.654 40 0 EHABHN Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219330 563985799 /nfs/dbraw/zinc/98/57/99/563985799.db2.gz AVBPJGLDCZGCRS-HXUWFJFHSA-N 0 3 337.467 3.564 40 0 EHABHN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225622583 564048572 /nfs/dbraw/zinc/04/85/72/564048572.db2.gz NNDCECONVVSYBQ-IBGZPJMESA-N 0 3 336.476 3.551 40 0 EHABHN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)c1 ZINC000015674371 564070509 /nfs/dbraw/zinc/07/05/09/564070509.db2.gz PGNZKSRJYJKCPI-MSOLQXFVSA-N 0 3 341.455 3.733 40 0 biogenic,in-vitro EHABHN COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000012238663 201834523 /nfs/dbraw/zinc/83/45/23/201834523.db2.gz UGXWERPJRHWIEX-UHFFFAOYSA-N 0 3 336.435 3.601 40 0 EHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000019500297 202008369 /nfs/dbraw/zinc/00/83/69/202008369.db2.gz XILNLXDRTFITQY-QGZVFWFLSA-N 0 3 341.499 3.708 40 0 EHABHN CCc1ncc(CN(Cc2cccs2)C[C@H]2CCCN2CC)cn1 ZINC000019523293 202010515 /nfs/dbraw/zinc/01/05/15/202010515.db2.gz JIKSFYIPJOYICO-QGZVFWFLSA-N 0 3 344.528 3.587 40 0 EHABHN CN(C)CCN(Cc1ccncc1)Cc1c(Cl)cccc1Cl ZINC000019582688 202012351 /nfs/dbraw/zinc/01/23/51/202012351.db2.gz IMGMJEVAGKPKEC-UHFFFAOYSA-N 0 3 338.282 3.952 40 0 EHABHN Cn1ccc2cc(C[C@@H]3COCCN(CCC(F)(F)F)C3)ccc21 ZINC000257206442 244136483 /nfs/dbraw/zinc/13/64/83/244136483.db2.gz BDLMOVPUVMFTRS-HNNXBMFYSA-N 0 3 340.389 3.622 40 0 EHABHN CC1(C)NC(=N)NC(=N)N1c1ccc2c(ccc(Cl)c2Cl)c1 ZINC000001702464 563404980 /nfs/dbraw/zinc/40/49/80/563404980.db2.gz FTYBSFGSOKEVRK-UHFFFAOYSA-N 0 3 336.226 3.751 40 0 EHABHN CC[C@@H](OC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000006356106 563565799 /nfs/dbraw/zinc/56/57/99/563565799.db2.gz QBKYHGIVYNYNLB-NHCUHLMSSA-N 0 3 325.452 3.574 40 0 EHABHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008326323 563626846 /nfs/dbraw/zinc/62/68/46/563626846.db2.gz QPJNEHKIHSXZOK-INIZCTEOSA-N 0 3 337.822 3.919 40 0 EHABHN Cc1ccsc1CN(Cc1c[nH]nc1-c1ccccc1)C[C@H](C)O ZINC000012147045 563655044 /nfs/dbraw/zinc/65/50/44/563655044.db2.gz WZIVICRJRAVLEV-HNNXBMFYSA-N 0 3 341.480 3.830 40 0 EHABHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038849433 563922384 /nfs/dbraw/zinc/92/23/84/563922384.db2.gz NTCCQPIBSBZLQO-SFHVURJKSA-N 0 3 338.451 3.854 40 0 EHABHN c1cc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046945 563978108 /nfs/dbraw/zinc/97/81/08/563978108.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 0 3 327.497 3.631 40 0 EHABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047008 563978209 /nfs/dbraw/zinc/97/82/09/563978209.db2.gz FWPXDBYSDBQHQI-SFHVURJKSA-N 0 3 346.521 3.938 40 0 EHABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccc3F)[C@H]2O)c1 ZINC000585289722 563982021 /nfs/dbraw/zinc/98/20/21/563982021.db2.gz WDFOVAMTDNMWRV-XUVXKRRUSA-N 0 3 329.415 3.585 40 0 EHABHN Cc1ccc(OCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369846 563991013 /nfs/dbraw/zinc/99/10/13/563991013.db2.gz UKOBQRYXYFTMCW-GOSISDBHSA-N 0 3 349.434 3.913 40 0 EHABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3ccoc3)C1)C2 ZINC000306138556 564062338 /nfs/dbraw/zinc/06/23/38/564062338.db2.gz SATQGSIKISDRBF-OAQYLSRUSA-N 0 3 349.434 3.600 40 0 EHABHN CC[C@@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)n1 ZINC000328975449 564071112 /nfs/dbraw/zinc/07/11/12/564071112.db2.gz FKOMKYHTCLJQNL-KGLIPLIRSA-N 0 3 340.471 3.611 40 0 EHABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000095534146 564141631 /nfs/dbraw/zinc/14/16/31/564141631.db2.gz JBUBOAKJBNWOGY-AWEZNQCLSA-N 0 3 332.329 3.847 40 0 EHABHN Fc1ccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344682 202005588 /nfs/dbraw/zinc/00/55/88/202005588.db2.gz MRCAFUMHGYKXIU-CYBMUJFWSA-N 0 3 329.400 3.927 40 0 EHABHN Cc1c2ccccc2oc1CN1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019566362 202011314 /nfs/dbraw/zinc/01/13/14/202011314.db2.gz LNSPZYYYAOQBNM-HOTGVXAUSA-N 0 3 342.483 3.815 40 0 EHABHN CC1CCN(Cc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000020482912 202045217 /nfs/dbraw/zinc/04/52/17/202045217.db2.gz LRFSLGCIKJQCIQ-UHFFFAOYSA-N 0 3 336.479 3.891 40 0 EHABHN CN(C)CCN(Cc1cccs1)Cc1cccc2cccnc21 ZINC000022914984 202094830 /nfs/dbraw/zinc/09/48/30/202094830.db2.gz JPVOFNSYQFXSIO-UHFFFAOYSA-N 0 3 325.481 3.860 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000039748541 202162720 /nfs/dbraw/zinc/16/27/20/202162720.db2.gz NWJHOUYYTCOMEO-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN O=C(Nc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039760938 202162994 /nfs/dbraw/zinc/16/29/94/202162994.db2.gz VFCVMPFYXMBYBY-UHFFFAOYSA-N 0 3 330.378 3.816 40 0 EHABHN O[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000031946875 202215343 /nfs/dbraw/zinc/21/53/43/202215343.db2.gz UCNCUQNDNPWJTI-GOTSBHOMSA-N 0 3 347.458 3.956 40 0 EHABHN CCCCOc1c(N)cc(Cl)cc1C(=O)OCCN(CC)CC ZINC000001672737 201516341 /nfs/dbraw/zinc/51/63/41/201516341.db2.gz JBJSOTRAGZFXLL-UHFFFAOYSA-N 0 3 342.867 3.600 40 0 EHABHN Cc1nccn1-c1cncc([C@H]2CCCN2CCCc2ccccc2)n1 ZINC000072378677 203210766 /nfs/dbraw/zinc/21/07/66/203210766.db2.gz AAHQNUFKVVZHHW-HXUWFJFHSA-N 0 3 347.466 3.740 40 0 EHABHN Clc1ccc(CNCc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072392317 203212844 /nfs/dbraw/zinc/21/28/44/203212844.db2.gz BWFUZHFDCOGKJZ-UHFFFAOYSA-N 0 3 349.825 3.735 40 0 EHABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752071 204246457 /nfs/dbraw/zinc/24/64/57/204246457.db2.gz ZPCCGJGMBOWHNR-PMACEKPBSA-N 0 3 333.472 3.858 40 0 EHABHN Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)s1 ZINC000107746895 204246868 /nfs/dbraw/zinc/24/68/68/204246868.db2.gz MYTKXKSDQRWZNI-FUHWJXTLSA-N 0 3 346.471 3.533 40 0 EHABHN Clc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169645 204369546 /nfs/dbraw/zinc/36/95/46/204369546.db2.gz FQNGSMOAAVOZSR-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 biogenic,in-vitro EHABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@H](C)C1 ZINC000225714483 535545147 /nfs/dbraw/zinc/54/51/47/535545147.db2.gz LFLBFALXLKGSKE-JXFKEZNVSA-N 0 3 348.487 3.551 40 0 EHABHN COc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000007696786 563610924 /nfs/dbraw/zinc/61/09/24/563610924.db2.gz QHLSVKMMJUIICZ-UHFFFAOYSA-N 0 3 338.451 3.611 40 0 EHABHN Cc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000010282401 563646374 /nfs/dbraw/zinc/64/63/74/563646374.db2.gz MFJZEQYCOZJVLB-UHFFFAOYSA-N 0 3 336.479 3.840 40 0 EHABHN COc1ccc(C2(NCc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000012117037 563653898 /nfs/dbraw/zinc/65/38/98/563653898.db2.gz CXRMCTBDMZVPNE-UHFFFAOYSA-N 0 3 325.437 3.926 40 0 EHABHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCN1CCCCC1 ZINC000019237574 563855393 /nfs/dbraw/zinc/85/53/93/563855393.db2.gz QTOUAZYQDRTVHK-UHFFFAOYSA-N 0 3 340.515 3.715 40 0 EHABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832852 563922170 /nfs/dbraw/zinc/92/21/70/563922170.db2.gz TZJGCXIBJFIDOF-VQIMIIECSA-N 0 3 340.442 3.915 40 0 EHABHN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835080 563922354 /nfs/dbraw/zinc/92/23/54/563922354.db2.gz VIPJPXOKWALQGW-MRXNPFEDSA-N 0 3 342.414 3.685 40 0 EHABHN c1csc(-c2n[nH]cc2CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788625 563976277 /nfs/dbraw/zinc/97/62/77/563976277.db2.gz LLXOJUWXRQIGAB-GFCCVEGCSA-N 0 3 330.482 3.974 40 0 EHABHN Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cccc4ccccc43)C2)n1 ZINC000096041226 563978013 /nfs/dbraw/zinc/97/80/13/563978013.db2.gz FGUIPYADIHVPDK-DFQSSKMNSA-N 0 3 349.434 3.678 40 0 EHABHN c1csc(CN2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057061 563978821 /nfs/dbraw/zinc/97/88/21/563978821.db2.gz NAOJBTKWWLSQQV-HKUYNNGSSA-N 0 3 344.480 3.593 40 0 EHABHN c1csc(CN2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)c1 ZINC000096221798 563980496 /nfs/dbraw/zinc/98/04/96/563980496.db2.gz MRYWCPHDLIXJGU-QGZVFWFLSA-N 0 3 329.465 3.951 40 0 EHABHN CN1CCC2(CC1)CN(C(=O)Nc1ccccc1)Cc1ccccc12 ZINC000096242393 563980553 /nfs/dbraw/zinc/98/05/53/563980553.db2.gz AMLRGXNUSXDIOT-UHFFFAOYSA-N 0 3 335.451 3.698 40 0 EHABHN Fc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225230195 564045479 /nfs/dbraw/zinc/04/54/79/564045479.db2.gz GDSAPOJOTXMGCG-UHFFFAOYSA-N 0 3 349.500 3.838 40 0 EHABHN Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000257343577 564055817 /nfs/dbraw/zinc/05/58/17/564055817.db2.gz ZTNUYEYHQTUQEB-MRXNPFEDSA-N 0 3 327.476 3.817 40 0 EHABHN Cc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000264046893 564124745 /nfs/dbraw/zinc/12/47/45/564124745.db2.gz DICLMIMDGPPTQO-UHFFFAOYSA-N 0 3 334.463 3.658 40 0 EHABHN CCN(Cc1ccc(F)cc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695718 564128033 /nfs/dbraw/zinc/12/80/33/564128033.db2.gz ANRUPQADYAPJMT-LJQANCHMSA-N 0 3 332.463 3.971 40 0 EHABHN Cc1ccc2cc(CN[C@H](CO)CC3CCCCC3)c(=O)[nH]c2c1 ZINC000585294735 568416141 /nfs/dbraw/zinc/41/61/41/568416141.db2.gz IOSWQQQYJXLFSG-SFHVURJKSA-N 0 3 328.456 3.670 40 0 EHABHN COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2C)c1 ZINC000019239498 202001364 /nfs/dbraw/zinc/00/13/64/202001364.db2.gz IEMFLXBMDNLARJ-YRISNDGFSA-N 0 3 338.451 3.831 40 0 EHABHN C[C@H]1C[C@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019463447 202008752 /nfs/dbraw/zinc/00/87/52/202008752.db2.gz LIADLCRLGJFXFF-AXBXVSCFSA-N 0 3 344.474 3.651 40 0 EHABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1cnn(CC)c1C ZINC000022915015 202095925 /nfs/dbraw/zinc/09/59/25/202095925.db2.gz ZVWYZEHOUZEFEH-SFHVURJKSA-N 0 3 346.544 3.759 40 0 EHABHN C=Cn1cc(CN(Cc2cccs2)C[C@H]2CCCN2CC)c(C)n1 ZINC000036741273 202330518 /nfs/dbraw/zinc/33/05/18/202330518.db2.gz RQXLSBHMVALLJC-GOSISDBHSA-N 0 3 344.528 3.840 40 0 EHABHN Cc1ccc(CN2CCC[C@H]2c2cncc(CN3CCCC3)n2)s1 ZINC000257211723 244152510 /nfs/dbraw/zinc/15/25/10/244152510.db2.gz CADLXPWKYBYRND-IBGZPJMESA-N 0 3 342.512 3.779 40 0 EHABHN c1ccc(CCN2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376233 203208836 /nfs/dbraw/zinc/20/88/36/203208836.db2.gz JHWSFZBWNTYAFM-LJQANCHMSA-N 0 3 345.450 3.995 40 0 EHABHN Fc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378644 203211146 /nfs/dbraw/zinc/21/11/46/203211146.db2.gz XSMJLORTTPPSQU-QGZVFWFLSA-N 0 3 336.414 3.786 40 0 EHABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244549 244252500 /nfs/dbraw/zinc/25/25/00/244252500.db2.gz ILVUBTFQUBRPOZ-KRWDZBQOSA-N 0 3 347.466 3.630 40 0 EHABHN Clc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389911 203212999 /nfs/dbraw/zinc/21/29/99/203212999.db2.gz NZZZRXSRLRHTTG-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 EHABHN COc1ccccc1CN1CC[C@H](c2nc3cc(F)ccc3o2)C1 ZINC000049169151 204369189 /nfs/dbraw/zinc/36/91/89/204369189.db2.gz CBEZTKSVGTTYSJ-AWEZNQCLSA-N 0 3 326.371 3.965 40 0 biogenic,in-vitro EHABHN Fc1ccc(-c2noc([C@@H]3CCCN3CC3CCCCC3)n2)nc1 ZINC000049155357 204370345 /nfs/dbraw/zinc/37/03/45/204370345.db2.gz HANPPNUUYIDSKT-INIZCTEOSA-N 0 3 330.407 3.988 40 0 biogenic,in-vitro EHABHN CCCCN1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250746 205120940 /nfs/dbraw/zinc/12/09/40/205120940.db2.gz HBFMKMCFXOLBQA-UHFFFAOYSA-N 0 3 339.468 3.742 40 0 EHABHN O[C@@H](CN1CCCC1)c1cc2cc(Br)ccc2s1 ZINC000001703369 563404990 /nfs/dbraw/zinc/40/49/90/563404990.db2.gz RXIKWIMNBGJIMG-LBPRGKRZSA-N 0 3 326.259 3.793 40 0 EHABHN O=C1C[C@H](NC2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002727748 563446960 /nfs/dbraw/zinc/44/69/60/563446960.db2.gz MBCFIPATYINVHV-AWEZNQCLSA-N 0 3 341.238 3.548 40 0 EHABHN Cc1cccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 ZINC000408605941 563495654 /nfs/dbraw/zinc/49/56/54/563495654.db2.gz HQLGZNGYPJWHCH-OAQYLSRUSA-N 0 3 334.463 3.658 40 0 EHABHN C[C@H]1C[C@H](C)CN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000004894448 563514576 /nfs/dbraw/zinc/51/45/76/563514576.db2.gz QWLCZUXANZYZJJ-ROUUACIJSA-N 0 3 336.479 3.870 40 0 EHABHN CCN(CC)CCOC(=O)COc1ccccc1Cc1ccccc1 ZINC000005469584 563533633 /nfs/dbraw/zinc/53/36/33/563533633.db2.gz BRWBJSAIGYWBGY-UHFFFAOYSA-N 0 3 341.451 3.541 40 0 EHABHN CC(C)(C)SCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010326142 563647216 /nfs/dbraw/zinc/64/72/16/563647216.db2.gz ANBDFUYWTBDDBN-UHFFFAOYSA-N 0 3 334.529 3.934 40 0 EHABHN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCCCCC1 ZINC000013708771 563713640 /nfs/dbraw/zinc/71/36/40/563713640.db2.gz DVGLDCJZBXYOPX-QGZVFWFLSA-N 0 3 340.467 3.599 40 0 EHABHN CC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(C)C ZINC000038849180 563922302 /nfs/dbraw/zinc/92/23/02/563922302.db2.gz KFRFPBLHPHPYOC-QGZVFWFLSA-N 0 3 334.479 3.835 40 0 EHABHN COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038834188 563922394 /nfs/dbraw/zinc/92/23/94/563922394.db2.gz WBCKPQSDMVWFQH-INIZCTEOSA-N 0 3 342.414 3.685 40 0 EHABHN Fc1ccccc1NC(=S)NCCCN1CCc2ccccc2C1 ZINC000046103178 563929437 /nfs/dbraw/zinc/92/94/37/563929437.db2.gz DFVIHHBYFOYSCZ-UHFFFAOYSA-N 0 3 343.471 3.561 40 0 EHABHN Cc1ccccc1CN1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585104741 563971600 /nfs/dbraw/zinc/97/16/00/563971600.db2.gz LVAHIJSCMVEIIF-IBGZPJMESA-N 0 3 340.492 3.667 40 0 EHABHN Fc1ccc(CN2CCC3(C2)CCN(Cc2nccs2)CC3)cc1 ZINC000096046618 563978118 /nfs/dbraw/zinc/97/81/18/563978118.db2.gz YVANOKDUQXRGFA-UHFFFAOYSA-N 0 3 345.487 3.770 40 0 EHABHN COCCN1CCC2(C[C@@H](OCC3CC3)c3ccc(C)cc32)CC1 ZINC000096241748 563980529 /nfs/dbraw/zinc/98/05/29/563980529.db2.gz FWVDOLFKWQOAJB-HXUWFJFHSA-N 0 3 329.484 3.846 40 0 EHABHN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCN(Cc2ccccc2)CC1 ZINC000068927201 563999780 /nfs/dbraw/zinc/99/97/80/563999780.db2.gz FTBNMFHXAHSKOZ-OTWHNJEPSA-N 0 3 326.484 3.594 40 0 EHABHN Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCN(Cc4ccccc4)C3)n2)n1 ZINC000257339414 564055744 /nfs/dbraw/zinc/05/57/44/564055744.db2.gz ZBPHHHOOCXCFGA-SFHVURJKSA-N 0 3 347.466 3.863 40 0 EHABHN O=C(OCc1ccccc1)N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC000575447507 564079825 /nfs/dbraw/zinc/07/98/25/564079825.db2.gz AUGRQMMVNGVQLT-PMACEKPBSA-N 0 3 336.435 3.530 40 0 EHABHN FC(F)(F)c1ccc(O[C@H]2COCCN(CC3CCCC3)C2)cc1 ZINC000096113170 564145427 /nfs/dbraw/zinc/14/54/27/564145427.db2.gz NFZTZLKPGGZGQJ-QGZVFWFLSA-N 0 3 343.389 3.975 40 0 biogenic,in-vitro EHABHN CC(C)c1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019453290 202008449 /nfs/dbraw/zinc/00/84/49/202008449.db2.gz DHHIPJIRFSCLHO-FQEVSTJZSA-N 0 3 336.483 3.583 40 0 EHABHN Cc1cc(C)nc([C@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369808 203208910 /nfs/dbraw/zinc/20/89/10/203208910.db2.gz GSCWYGIMEOJJDD-IBGZPJMESA-N 0 3 336.483 3.683 40 0 EHABHN Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cccs3)C2)on1 ZINC000072396691 203213188 /nfs/dbraw/zinc/21/31/88/203213188.db2.gz ZMXARGNXLWMILA-LBPRGKRZSA-N 0 3 346.481 3.943 40 0 EHABHN CC[C@@H]1[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@@H]1O ZINC000102063712 204030220 /nfs/dbraw/zinc/03/02/20/204030220.db2.gz WBWWKIRERSPQIP-TUFLPTIASA-N 0 3 341.451 3.867 40 0 EHABHN COc1ccccc1CN1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169840 204370019 /nfs/dbraw/zinc/37/00/19/204370019.db2.gz GUWFINXBUWWQLW-SFHVURJKSA-N 0 3 349.434 3.659 40 0 biogenic,in-vitro EHABHN CCN(CC)CCO[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000004769419 257911396 /nfs/dbraw/zinc/91/13/96/257911396.db2.gz OFVKGYAZUDNNGS-HSZRJFAPSA-N 0 3 331.481 3.798 40 0 EHABHN COc1ccc([C@H](Cc2ccc(Cl)c(Cl)c2)NCCO)cc1 ZINC000006484489 563569223 /nfs/dbraw/zinc/56/92/23/563569223.db2.gz OOMIHTWYYRQDSH-KRWDZBQOSA-N 0 3 340.250 3.868 40 0 EHABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212245 563261129 /nfs/dbraw/zinc/26/11/29/563261129.db2.gz AMOVUYFZCHTGNU-QGZVFWFLSA-N 0 3 334.891 3.955 40 0 EHABHN O=C(NCc1ccccc1)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001675088 563402085 /nfs/dbraw/zinc/40/20/85/563402085.db2.gz DPMIPKAMLXKZFX-UHFFFAOYSA-N 0 3 347.462 3.696 40 0 EHABHN CCN(CC)CCOC(=O)[C@](O)(c1ccc(C)cc1)C1CCCCC1 ZINC000001710825 563406109 /nfs/dbraw/zinc/40/61/09/563406109.db2.gz XAJLHVCJQBUMBE-OAQYLSRUSA-N 0 3 347.499 3.648 40 0 EHABHN c1ccc2[nH]c(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315400 563559665 /nfs/dbraw/zinc/55/96/65/563559665.db2.gz JBPGIOITWVOGBS-MRXNPFEDSA-N 0 3 349.434 3.582 40 0 EHABHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000044912757 563928280 /nfs/dbraw/zinc/92/82/80/563928280.db2.gz BAKGSSKRDQSLGS-FXAWDEMLSA-N 0 3 334.463 3.876 40 0 EHABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047007 563978220 /nfs/dbraw/zinc/97/82/20/563978220.db2.gz FWPXDBYSDBQHQI-GOSISDBHSA-N 0 3 346.521 3.938 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(Cc1nccs1)CC2 ZINC000096051554 563978572 /nfs/dbraw/zinc/97/85/72/563978572.db2.gz CMMQWHXQIXEKDC-MRXNPFEDSA-N 0 3 331.485 3.613 40 0 EHABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)s1 ZINC000096056617 563978709 /nfs/dbraw/zinc/97/87/09/563978709.db2.gz CFFZFVBUMMZHQZ-QZTJIDSGSA-N 0 3 326.465 3.826 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)o1 ZINC000096061333 563978898 /nfs/dbraw/zinc/97/88/98/563978898.db2.gz VZWVBGCMXPSUAV-IBGZPJMESA-N 0 3 338.451 3.569 40 0 EHABHN Cc1nc(COC[C@@]23CCC[C@@H]2CN(Cc2ccccn2)C3)cs1 ZINC000096109270 563979267 /nfs/dbraw/zinc/97/92/67/563979267.db2.gz MEBJKDWXDGFROY-APWZRJJASA-N 0 3 343.496 3.665 40 0 EHABHN CN1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263362 563981018 /nfs/dbraw/zinc/98/10/18/563981018.db2.gz WZKJNWKTPWFEOT-CYBMUJFWSA-N 0 3 326.831 3.859 40 0 EHABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1ccccc1Cl ZINC000585288573 563982071 /nfs/dbraw/zinc/98/20/71/563982071.db2.gz FAWYGEZJKHEPPK-IPMKNSEASA-N 0 3 349.833 3.930 40 0 EHABHN C[C@H]1CCc2c(sc3nc(C(C)(C)C)nc(N4CCNCC4)c23)C1 ZINC000004910662 563992421 /nfs/dbraw/zinc/99/24/21/563992421.db2.gz PIIXAPBAWUQZCF-LBPRGKRZSA-N 0 3 344.528 3.523 40 0 EHABHN CCC(=O)N(c1ccccc1)C1CCN(CCc2ccco2)CC1 ZINC000601032716 564001901 /nfs/dbraw/zinc/00/19/01/564001901.db2.gz AFTQVAQNGJXATO-UHFFFAOYSA-N 0 3 326.440 3.730 40 0 in-vitro EHABHN Cc1cc(NCCNC(=S)Nc2ccccc2)c2ccccc2n1 ZINC000225232052 564045492 /nfs/dbraw/zinc/04/54/92/564045492.db2.gz DLWHBIFAZWDWOQ-UHFFFAOYSA-N 0 3 336.464 3.942 40 0 EHABHN CNc1cccc(CC[C@@H]2CCCCN2Cc2scnc2C)n1 ZINC000257302106 564055076 /nfs/dbraw/zinc/05/50/76/564055076.db2.gz SBOMVIBNZZAMGX-INIZCTEOSA-N 0 3 330.501 3.876 40 0 EHABHN c1ccc(CN2CC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344972 564055799 /nfs/dbraw/zinc/05/57/99/564055799.db2.gz ZZKUKARTKAWLBB-QGZVFWFLSA-N 0 3 331.423 3.605 40 0 EHABHN Fc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccoc4)C2)C3)cc1 ZINC000306131211 564062147 /nfs/dbraw/zinc/06/21/47/564062147.db2.gz JYRBGMJZPPQNRI-FQEVSTJZSA-N 0 3 337.398 3.731 40 0 EHABHN O[C@H](CN1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000247793939 564124500 /nfs/dbraw/zinc/12/45/00/564124500.db2.gz QCNGGSIXHAHXHM-GOEBONIOSA-N 0 3 335.444 3.712 40 0 EHABHN CCN(Cc1ccc(F)cc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695717 564128053 /nfs/dbraw/zinc/12/80/53/564128053.db2.gz ANRUPQADYAPJMT-IBGZPJMESA-N 0 3 332.463 3.971 40 0 EHABHN COc1ccc([C@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000095533718 564141672 /nfs/dbraw/zinc/14/16/72/564141672.db2.gz GYYKAQXIVABAMN-AWEZNQCLSA-N 0 3 348.328 3.547 40 0 EHABHN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938384 202202012 /nfs/dbraw/zinc/20/20/12/202202012.db2.gz KXNMCLNAZOUVHG-CQSZACIVSA-N 0 3 348.368 3.955 40 0 EHABHN COc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378695 203210615 /nfs/dbraw/zinc/21/06/15/203210615.db2.gz DRNOBJIIXCCZKN-FQEVSTJZSA-N 0 3 348.450 3.921 40 0 EHABHN CCc1nccn1-c1cncc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000072355452 203205027 /nfs/dbraw/zinc/20/50/27/203205027.db2.gz QUZOKZKHEACNDN-GOSISDBHSA-N 0 3 347.466 3.604 40 0 EHABHN Fc1cccc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389964 203213969 /nfs/dbraw/zinc/21/39/69/203213969.db2.gz MAYKABIKCWYXKU-MRXNPFEDSA-N 0 3 338.386 3.650 40 0 EHABHN C[C@@H](N[C@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257557 203261339 /nfs/dbraw/zinc/26/13/39/203261339.db2.gz QPOBRHWTGGAIQD-NJJRTNTQSA-N 0 3 326.484 3.798 40 0 EHABHN Cc1cc(-c2nccn2C)nc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257338485 244567477 /nfs/dbraw/zinc/56/74/77/244567477.db2.gz YXQAUFNVIJQGNA-SFHVURJKSA-N 0 3 347.466 3.565 40 0 EHABHN CN(C)CCNc1nc(NCc2ccccc2)cc(-c2ccccc2)n1 ZINC000244263014 205107238 /nfs/dbraw/zinc/10/72/38/205107238.db2.gz WNRFNXVTIWEIJD-UHFFFAOYSA-N 0 3 347.466 3.729 40 0 EHABHN Cc1cccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)c1 ZINC000408605938 563495788 /nfs/dbraw/zinc/49/57/88/563495788.db2.gz HQLGZNGYPJWHCH-NRFANRHFSA-N 0 3 334.463 3.658 40 0 EHABHN Cc1cc2cc3c(cc2nc1SCCN1CCCCC1)OCCO3 ZINC000004858658 563513786 /nfs/dbraw/zinc/51/37/86/563513786.db2.gz VGMUYOYHJSNUON-UHFFFAOYSA-N 0 3 344.480 3.892 40 0 EHABHN COc1cc2cc(C)c(SCCN3CCCC3)nc2cc1OC ZINC000035315957 563559615 /nfs/dbraw/zinc/55/96/15/563559615.db2.gz IYEYADGMOVJMDT-UHFFFAOYSA-N 0 3 332.469 3.748 40 0 EHABHN CN1CCC[C@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876188 563645146 /nfs/dbraw/zinc/64/51/46/563645146.db2.gz GDDCPOIVCGVKDB-SNVBAGLBSA-N 0 3 332.300 3.622 40 0 EHABHN COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccc(C)n2)c1 ZINC000012085266 563653142 /nfs/dbraw/zinc/65/31/42/563653142.db2.gz PJFBBRGAHXJKKO-YRISNDGFSA-N 0 3 338.451 3.831 40 0 EHABHN Cc1ccsc1CN1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012119175 563654008 /nfs/dbraw/zinc/65/40/08/563654008.db2.gz DJFIOMPWARTBOP-CQSZACIVSA-N 0 3 328.437 3.802 40 0 EHABHN c1coc(-c2nc(NCCN3CCCCC3)ncc2-c2ccncc2)c1 ZINC000012338403 563658504 /nfs/dbraw/zinc/65/85/04/563658504.db2.gz NPHIJBKKMKOULI-UHFFFAOYSA-N 0 3 349.438 3.696 40 0 EHABHN O=C(NCCN1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000013688452 563711555 /nfs/dbraw/zinc/71/15/55/563711555.db2.gz NRFNBKKMFWILFJ-UHFFFAOYSA-N 0 3 336.479 3.688 40 0 EHABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000044912754 563928261 /nfs/dbraw/zinc/92/82/61/563928261.db2.gz BAKGSSKRDQSLGS-YLJYHZDGSA-N 0 3 334.463 3.876 40 0 EHABHN COc1ccc2c(c1)C1(CCN(Cc3ccc(C)o3)CC1)N(C)CC2 ZINC000096100213 563979156 /nfs/dbraw/zinc/97/91/56/563979156.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 0 3 340.467 3.576 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100305 563979202 /nfs/dbraw/zinc/97/92/02/563979202.db2.gz KHIMWCSBWKUTGE-NRFANRHFSA-N 0 3 338.451 3.734 40 0 EHABHN Cc1cccc(N2CCC3(CC(N(C)Cc4ccncc4)C3)CC2)n1 ZINC000096159274 563979800 /nfs/dbraw/zinc/97/98/00/563979800.db2.gz DNVSGWDSNPFBOO-UHFFFAOYSA-N 0 3 336.483 3.666 40 0 EHABHN Cc1ccc(CN2CCC3(CN(c4cccc(F)c4)C3=O)CC2)s1 ZINC000096202931 563980176 /nfs/dbraw/zinc/98/01/76/563980176.db2.gz ZPINMARRYDVBKU-UHFFFAOYSA-N 0 3 344.455 3.825 40 0 EHABHN FCCN1CCC2(CC1)C[C@@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242731 563980584 /nfs/dbraw/zinc/98/05/84/563980584.db2.gz LWSHMZKXASYVGM-GOSISDBHSA-N 0 3 344.430 3.697 40 0 EHABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585289218 563981981 /nfs/dbraw/zinc/98/19/81/563981981.db2.gz ODFULWQYMIDJBV-XUVXKRRUSA-N 0 3 329.415 3.585 40 0 EHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100750200 563982747 /nfs/dbraw/zinc/98/27/47/563982747.db2.gz DHPDZUDBBCOSQP-JZXOWHBKSA-N 0 3 331.504 3.653 40 0 EHABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccs1 ZINC000008254750 564016019 /nfs/dbraw/zinc/01/60/19/564016019.db2.gz NBBFJKGVFWHOND-MRXNPFEDSA-N 0 3 347.480 3.994 40 0 EHABHN CN(C)CCNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225403659 564046440 /nfs/dbraw/zinc/04/64/40/564046440.db2.gz OURVSJJDIXRQNV-UHFFFAOYSA-N 0 3 345.537 3.827 40 0 EHABHN CO[C@@H]1CCCOC12CCN(Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000257298462 564055046 /nfs/dbraw/zinc/05/50/46/564055046.db2.gz RLSYRZPQVKLKKQ-LJQANCHMSA-N 0 3 346.446 3.775 40 0 EHABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316489 564055326 /nfs/dbraw/zinc/05/53/26/564055326.db2.gz VFVOXXXNWQSWQP-SFHVURJKSA-N 0 3 333.439 3.555 40 0 EHABHN COc1ccccc1CNCCc1cc(OC)c(SC)cc1OC ZINC000095726642 564141846 /nfs/dbraw/zinc/14/18/46/564141846.db2.gz ZWPIZVVOKGWMFW-UHFFFAOYSA-N 0 3 347.480 3.767 40 0 in-vitro EHABHN Cc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 ZINC000012668895 201860159 /nfs/dbraw/zinc/86/01/59/201860159.db2.gz AQGXENWGLKLVJI-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN CCC(CC)C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019500229 202008659 /nfs/dbraw/zinc/00/86/59/202008659.db2.gz SJBRTAGQSRPBBE-GUDVDZBRSA-N 0 3 332.463 3.651 40 0 EHABHN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848776 202408082 /nfs/dbraw/zinc/40/80/82/202408082.db2.gz IJUYIHBUOMJUHO-IBGZPJMESA-N 0 3 340.442 3.663 40 0 EHABHN Cc1cccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000002696083 201359533 /nfs/dbraw/zinc/35/95/33/201359533.db2.gz IPRXKSXCCAMYFX-OAQYLSRUSA-N 0 3 339.479 3.689 40 0 EHABHN CC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217565169 241259605 /nfs/dbraw/zinc/25/96/05/241259605.db2.gz ZKOOMXQFWQDHEL-CQSZACIVSA-N 0 3 336.226 3.754 40 0 EHABHN C[C@]1(COc2ccccc2)C[C@@H]2CN(Cc3cncs3)CC[C@@H]2O1 ZINC000257237443 244233212 /nfs/dbraw/zinc/23/32/12/244233212.db2.gz HGMJQRFCEDBLQR-AYOQOUSVSA-N 0 3 344.480 3.592 40 0 EHABHN Clc1cccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389920 203213403 /nfs/dbraw/zinc/21/34/03/203213403.db2.gz RTKIMRSEPVOONV-OAHLLOKOSA-N 0 3 340.814 3.775 40 0 EHABHN Cc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169864 204369944 /nfs/dbraw/zinc/36/99/44/204369944.db2.gz FMFPJOVTWJOTHQ-IBGZPJMESA-N 0 3 333.435 3.958 40 0 biogenic,in-vitro EHABHN COc1ccc(C)cc1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012330681 518147866 /nfs/dbraw/zinc/14/78/66/518147866.db2.gz RJTBYWKMUDJFBV-UHFFFAOYSA-N 0 3 325.452 3.796 40 0 EHABHN CCOCCCNCC(=O)N1c2ccc(C)cc2[C@H](C)CC1(C)C ZINC000035311383 535549574 /nfs/dbraw/zinc/54/95/74/535549574.db2.gz TUSALLPUDRWVNT-MRXNPFEDSA-N 0 3 332.488 3.630 40 0 EHABHN C[C@H]1C[C@H](OC[C@H](O)CN2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073898 563520888 /nfs/dbraw/zinc/52/08/88/563520888.db2.gz QUUUPSHLTILKRI-DBVUQKKJSA-N 0 3 331.500 3.637 40 0 EHABHN CCN(CC)CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)C1CCCCC1 ZINC000006382244 563566599 /nfs/dbraw/zinc/56/65/99/563566599.db2.gz GCSXQKJRCSGYPB-ZWKOTPCHSA-N 0 3 337.504 3.827 40 0 EHABHN COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccc(C)n2)cc1 ZINC000012085387 563653184 /nfs/dbraw/zinc/65/31/84/563653184.db2.gz BSNRKKGJMWTHSA-YRISNDGFSA-N 0 3 338.451 3.831 40 0 EHABHN COc1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)cc1 ZINC000012122115 563654245 /nfs/dbraw/zinc/65/42/45/563654245.db2.gz QXXCJADUNDUFOY-UHFFFAOYSA-N 0 3 339.435 3.639 40 0 EHABHN CN(C)CCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013673388 563709756 /nfs/dbraw/zinc/70/97/56/563709756.db2.gz NEXNHHUHYYWQLG-SAPNQHFASA-N 0 3 328.843 3.558 40 0 EHABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC(C)(C)C ZINC000019082725 563853508 /nfs/dbraw/zinc/85/35/08/563853508.db2.gz JZHLZTXHTAXVDW-ZHALLVOQSA-N 0 3 332.463 3.651 40 0 EHABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc3c(cc2Cl)OCO3)on1 ZINC000019120532 563853974 /nfs/dbraw/zinc/85/39/74/563853974.db2.gz HFHFTKYCTVOIHP-BLLLJJGKSA-N 0 3 348.830 3.866 40 0 EHABHN Cc1ccc(CN2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050569 563978413 /nfs/dbraw/zinc/97/84/13/563978413.db2.gz VDBOJIMCTRWGRT-NRFANRHFSA-N 0 3 338.451 3.521 40 0 EHABHN O=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1ccccc1 ZINC000096049413 563978415 /nfs/dbraw/zinc/97/84/15/563978415.db2.gz LTZHLAATKYTNFJ-UHFFFAOYSA-N 0 3 340.492 3.905 40 0 EHABHN c1cc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)cs1 ZINC000096106082 563979234 /nfs/dbraw/zinc/97/92/34/563979234.db2.gz UAJGLAVHAGDFRY-SFHVURJKSA-N 0 3 344.480 3.593 40 0 EHABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000585288721 563982134 /nfs/dbraw/zinc/98/21/34/563982134.db2.gz ITOQNGSHJSZHIS-IPMKNSEASA-N 0 3 349.833 3.930 40 0 EHABHN CC(C)(C)c1ccc(OCc2n[nH]c([C@@H](N)c3ccccc3)n2)cc1 ZINC000095533475 563984286 /nfs/dbraw/zinc/98/42/86/563984286.db2.gz MUOKEALGDNIJKT-SFHVURJKSA-N 0 3 336.439 3.729 40 0 EHABHN COCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008469164 564016363 /nfs/dbraw/zinc/01/63/63/564016363.db2.gz HARPBGRPGIZPFH-UHFFFAOYSA-N 0 3 335.831 3.664 40 0 EHABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C2CCCC2)C1 ZINC000257299877 564055018 /nfs/dbraw/zinc/05/50/18/564055018.db2.gz RSARXWPMBPRWLO-GFCCVEGCSA-N 0 3 329.469 3.517 40 0 EHABHN c1cc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)ccn1 ZINC000306129177 564062139 /nfs/dbraw/zinc/06/21/39/564062139.db2.gz HWMXMBBWJUOWFB-KRWDZBQOSA-N 0 3 333.439 3.523 40 0 EHABHN Fc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047593 564128685 /nfs/dbraw/zinc/12/86/85/564128685.db2.gz XWDSOENHFAHJIU-VQTJNVASSA-N 0 3 344.405 3.810 40 0 EHABHN C[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019463445 202008362 /nfs/dbraw/zinc/00/83/62/202008362.db2.gz LIADLCRLGJFXFF-QSWMPLQWSA-N 0 3 344.474 3.651 40 0 EHABHN CCn1cc(CN(Cc2cccs2)C[C@@H]2CCCN2CC)c(C)n1 ZINC000019524503 202010572 /nfs/dbraw/zinc/01/05/72/202010572.db2.gz NDUYZOXIUSOOFZ-SFHVURJKSA-N 0 3 346.544 3.759 40 0 EHABHN CCN1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192865 202035104 /nfs/dbraw/zinc/03/51/04/202035104.db2.gz FFUNCPDGSUPTDM-OAQYLSRUSA-N 0 3 334.467 3.598 40 0 EHABHN C=Cn1cc(CN(Cc2cccs2)C[C@@H]2CCCN2CC)c(C)n1 ZINC000036741274 202330090 /nfs/dbraw/zinc/33/00/90/202330090.db2.gz RQXLSBHMVALLJC-SFHVURJKSA-N 0 3 344.528 3.840 40 0 EHABHN c1cc(CN2CCCCC2)cc(-c2noc([C@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335295 202370012 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3.773 40 0 EHABHN CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1F ZINC000022913866 212332331 /nfs/dbraw/zinc/33/23/31/212332331.db2.gz FKHFIJBVWCUUPB-LJQANCHMSA-N 0 3 327.447 3.707 40 0 EHABHN c1ccc2c(c1)CCN(Cc1c3cccnc3[nH]c1[C@@H]1CCCO1)C2 ZINC000019375389 212024125 /nfs/dbraw/zinc/02/41/25/212024125.db2.gz PSCCGCGKSDWTMV-IBGZPJMESA-N 0 3 333.435 3.973 40 0 EHABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1C ZINC000012292222 211334811 /nfs/dbraw/zinc/33/48/11/211334811.db2.gz ZVKXRAMOLDELCF-NRFANRHFSA-N 0 3 339.479 3.629 40 0 EHABHN Cc1ccc(C2(O)CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000012147621 211307476 /nfs/dbraw/zinc/30/74/76/211307476.db2.gz RCTNYVONBYHFOG-UHFFFAOYSA-N 0 3 347.462 3.869 40 0 EHABHN c1csc(-c2n[nH]cc2CN2CCC[C@H](c3nccs3)C2)c1 ZINC000092788624 218168038 /nfs/dbraw/zinc/16/80/38/218168038.db2.gz LLXOJUWXRQIGAB-LBPRGKRZSA-N 0 3 330.482 3.974 40 0 EHABHN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000005000520 210356350 /nfs/dbraw/zinc/35/63/50/210356350.db2.gz VDNQZRDUVFZIAY-UHFFFAOYSA-N 0 3 330.350 3.788 40 0 EHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257219654 563967197 /nfs/dbraw/zinc/96/71/97/563967197.db2.gz DHPDZUDBBCOSQP-BQFCYCMXSA-N 0 3 331.504 3.653 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)NC4CCCC4)C3)C2)o1 ZINC000096215968 563980288 /nfs/dbraw/zinc/98/02/88/563980288.db2.gz RLJPHNAUZADAJE-HXUWFJFHSA-N 0 3 345.487 3.528 40 0 EHABHN Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)CC2CCCCC2)n1 ZINC000013991974 564020846 /nfs/dbraw/zinc/02/08/46/564020846.db2.gz VKVUPOKTDUKZTE-LJQANCHMSA-N 0 3 345.487 3.536 40 0 EHABHN Cc1cc(C)c(C(=O)NCCCN2CCc3ccccc3C2)cc1C ZINC000225651186 564048981 /nfs/dbraw/zinc/04/89/81/564048981.db2.gz PMQBIEDIIQBTEI-UHFFFAOYSA-N 0 3 336.479 3.790 40 0 EHABHN Cc1cn(C)c([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285321 564054786 /nfs/dbraw/zinc/05/47/86/564054786.db2.gz PGPPJZUOMGJJAF-LJQANCHMSA-N 0 3 347.466 3.565 40 0 EHABHN Cc1ccccc1CNC[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096269367 564146215 /nfs/dbraw/zinc/14/62/15/564146215.db2.gz OCSPOQMKZDXILK-IBGZPJMESA-N 0 3 333.435 3.547 40 0 biogenic,in-vitro EHABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@]1(O)CCC[C@H](C)C1 ZINC000004683104 210245946 /nfs/dbraw/zinc/24/59/46/210245946.db2.gz PKMGAMIZEJERMX-CUWPLCDZSA-N 0 3 347.499 3.596 40 0 EHABHN CC(C)(C)c1cc(C[C@@H]2C[C@H](NCc3ccc(CO)o3)C2(C)C)no1 ZINC000067890229 215242499 /nfs/dbraw/zinc/24/24/99/215242499.db2.gz FUEAJIKXKYYFDM-DYVFJYSZSA-N 0 3 346.471 3.804 40 0 biogenic,in-vitro EHABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359050 216165562 /nfs/dbraw/zinc/16/55/62/216165562.db2.gz JZGYMJWZPLDJGB-IBGZPJMESA-N 0 3 347.466 3.565 40 0 EHABHN c1cn(-c2cccc([C@H]3CCCN(CCOc4ccccc4)C3)n2)cn1 ZINC000072378782 216181390 /nfs/dbraw/zinc/18/13/90/216181390.db2.gz YIDUCVLPKQMEND-SFHVURJKSA-N 0 3 348.450 3.526 40 0 EHABHN Cc1cc(C)nc([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369726 216177840 /nfs/dbraw/zinc/17/78/40/216177840.db2.gz SVLBJZFHIPMQFX-AWEZNQCLSA-N 0 3 339.468 3.535 40 0 EHABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccccc3Cl)C[C@H]21 ZINC000072392519 216190579 /nfs/dbraw/zinc/19/05/79/216190579.db2.gz GSRSSWJLKQAFLJ-VPWXQRGCSA-N 0 3 342.870 3.773 40 0 EHABHN O=C(Nc1cccc(Cl)c1)C12CCN(CC1)Cc1ccccc12 ZINC000000055580 209393486 /nfs/dbraw/zinc/39/34/86/209393486.db2.gz UQZJPPKTESRKQT-UHFFFAOYSA-N 0 3 326.827 3.826 40 0 EHABHN CCN(CC)CCNCc1ccccc1OCc1ccc(F)cc1 ZINC000022075296 212277040 /nfs/dbraw/zinc/27/70/40/212277040.db2.gz QRNGIAHWAJOHBH-UHFFFAOYSA-N 0 3 330.447 3.836 40 0 EHABHN O=c1cc([C@H]2CCCCN2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372026 212023404 /nfs/dbraw/zinc/02/34/04/212023404.db2.gz CEECWEDLPKUQKC-LJQANCHMSA-N 0 3 346.434 3.559 40 0 EHABHN OC1(c2ccccc2F)CCN(Cc2ccc3ncccc3c2)CC1 ZINC000012363482 211355304 /nfs/dbraw/zinc/35/53/04/211355304.db2.gz RBLCZUZESHKLQV-UHFFFAOYSA-N 0 3 336.410 3.858 40 0 EHABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000006356055 563565870 /nfs/dbraw/zinc/56/58/70/563565870.db2.gz WSEOTWCMPKAJSV-FXAWDEMLSA-N 0 3 339.479 3.998 40 0 EHABHN CC(C)CN1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101821 563971475 /nfs/dbraw/zinc/97/14/75/563971475.db2.gz HLXMPNATYQRNJT-SFHVURJKSA-N 0 3 338.854 3.816 40 0 EHABHN c1coc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)c1 ZINC000585105328 563971557 /nfs/dbraw/zinc/97/15/57/563971557.db2.gz UCSSRXXCEXERSO-KRWDZBQOSA-N 0 3 342.439 3.515 40 0 EHABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047009 563978171 /nfs/dbraw/zinc/97/81/71/563978171.db2.gz GBMJCGVQJYYSIH-GOSISDBHSA-N 0 3 346.521 3.938 40 0 EHABHN Cc1occc1C(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC000096051578 563978575 /nfs/dbraw/zinc/97/85/75/563978575.db2.gz SMGBWZGSDYYRFH-SFHVURJKSA-N 0 3 342.439 3.698 40 0 EHABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051581 563978629 /nfs/dbraw/zinc/97/86/29/563978629.db2.gz AXYOHUIXRYLTAV-KRWDZBQOSA-N 0 3 344.480 3.858 40 0 EHABHN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccsc1)CC2 ZINC000096061433 563978868 /nfs/dbraw/zinc/97/88/68/563978868.db2.gz VLCMMUHAQCSUTR-SFHVURJKSA-N 0 3 340.492 3.729 40 0 EHABHN Cc1cccc(CN2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)c1 ZINC000096261189 563980631 /nfs/dbraw/zinc/98/06/31/563980631.db2.gz DMTULVBMHFNWGE-NRFANRHFSA-N 0 3 348.490 3.976 40 0 EHABHN O=C(NC1CC2(C1)CCN(Cc1ccccc1Cl)CC2)C1CC1 ZINC000108536111 563984323 /nfs/dbraw/zinc/98/43/23/563984323.db2.gz GNGCCVJGNUOTTH-UHFFFAOYSA-N 0 3 332.875 3.611 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)NCC3=CCCCC3)CC2)cc1 ZINC000224530161 564043033 /nfs/dbraw/zinc/04/30/33/564043033.db2.gz AENLETNCWORVMY-UHFFFAOYSA-N 0 3 326.484 3.824 40 0 EHABHN Cc1nc(Nc2cc(C)nc([C@@H]3CCN(C(C)C)C3)n2)sc1C ZINC000257291898 564054868 /nfs/dbraw/zinc/05/48/68/564054868.db2.gz QJCUMXDOAOCGCL-CQSZACIVSA-N 0 3 331.489 3.800 40 0 EHABHN c1cc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)ccn1 ZINC000306129178 564062214 /nfs/dbraw/zinc/06/22/14/564062214.db2.gz HWMXMBBWJUOWFB-QGZVFWFLSA-N 0 3 333.439 3.523 40 0 EHABHN Cc1cccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000002696085 564103705 /nfs/dbraw/zinc/10/37/05/564103705.db2.gz IPRXKSXCCAMYFX-NRFANRHFSA-N 0 3 339.479 3.689 40 0 EHABHN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746120 219805255 /nfs/dbraw/zinc/80/52/55/219805255.db2.gz DXSBUYCZZPYIQT-RYQLBKOJSA-N 0 3 342.439 3.554 40 0 EHABHN N[C@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190451 244048436 /nfs/dbraw/zinc/04/84/36/244048436.db2.gz XIHDYRGWLFXHEB-IBGZPJMESA-N 0 3 342.414 3.874 40 0 EHABHN COc1cccc(C(=O)N2CCC[C@@H](c3cc4c[nH]ccc-4n3)C2)c1 ZINC000019564429 212044136 /nfs/dbraw/zinc/04/41/36/212044136.db2.gz RMOZWJWTBPTGIY-OAHLLOKOSA-N 0 3 335.407 3.591 40 0 EHABHN COc1cccc(C(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)c1 ZINC000019564429 212044140 /nfs/dbraw/zinc/04/41/40/212044140.db2.gz RMOZWJWTBPTGIY-OAHLLOKOSA-N 0 3 335.407 3.591 40 0 EHABHN CCCc1cc(C(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)no1 ZINC000019525293 212037783 /nfs/dbraw/zinc/03/77/83/212037783.db2.gz FYRVBIXQFGOSIB-UHFFFAOYSA-N 0 3 338.411 3.523 40 0 EHABHN CCCc1cc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)no1 ZINC000019525293 212037786 /nfs/dbraw/zinc/03/77/86/212037786.db2.gz FYRVBIXQFGOSIB-UHFFFAOYSA-N 0 3 338.411 3.523 40 0 EHABHN Cc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019210214 212003928 /nfs/dbraw/zinc/00/39/28/212003928.db2.gz HFAIAVPOEQABNE-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN OC1(c2cccnc2)CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000012241494 211328582 /nfs/dbraw/zinc/32/85/82/211328582.db2.gz VCJSOZYIOBJABS-UHFFFAOYSA-N 0 3 342.870 3.750 40 0 EHABHN C[C@@H]1C[C@H](C)CN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000004894441 210314035 /nfs/dbraw/zinc/31/40/35/210314035.db2.gz QWLCZUXANZYZJJ-HDICACEKSA-N 0 3 336.479 3.870 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)co1 ZINC000585105164 563971561 /nfs/dbraw/zinc/97/15/61/563971561.db2.gz PIIGTHSNDXHTBO-GOSISDBHSA-N 0 3 342.439 3.515 40 0 EHABHN Cc1ccc(N2C[C@@]3(CCN(Cc4cccs4)C3)CC2=O)s1 ZINC000096050857 563978533 /nfs/dbraw/zinc/97/85/33/563978533.db2.gz BXTFZDMFGIHFPF-KRWDZBQOSA-N 0 3 332.494 3.747 40 0 EHABHN CO[C@@H]1CCN(Cc2c(C)noc2C)C[C@@H]1Cc1cccc(C)c1 ZINC000096207747 563980165 /nfs/dbraw/zinc/98/01/65/563980165.db2.gz BTBSQZFTSFUYKR-AZUAARDMSA-N 0 3 328.456 3.679 40 0 EHABHN Cc1nc(N2CCOCC2)ccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072219615 563985803 /nfs/dbraw/zinc/98/58/03/563985803.db2.gz GHFLHNDZNPBCJE-HXUWFJFHSA-N 0 3 337.467 3.564 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)NCCSC(C)(C)C)CC2)c1 ZINC000009063027 564016541 /nfs/dbraw/zinc/01/65/41/564016541.db2.gz VJSOTJIKRSDQKE-UHFFFAOYSA-N 0 3 348.556 3.855 40 0 EHABHN Cc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063557 564016611 /nfs/dbraw/zinc/01/66/11/564016611.db2.gz QPFNIQYNYCDJHI-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2cccs2)c(OC)c1 ZINC000019552146 564025218 /nfs/dbraw/zinc/02/52/18/564025218.db2.gz WSSSDVNRQADDTO-HZPDHXFCSA-N 0 3 333.453 3.636 40 0 EHABHN CC(C)(C)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000006364112 564112320 /nfs/dbraw/zinc/11/23/20/564112320.db2.gz HSGATDKPAYOOJN-LJQANCHMSA-N 0 3 339.479 3.782 40 0 EHABHN O[C@H](CN1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342972 564127970 /nfs/dbraw/zinc/12/79/70/564127970.db2.gz YEDVRDIEBWBOLX-RHSMWYFYSA-N 0 3 335.444 3.712 40 0 EHABHN O[C@@H](CN1CCC[C@@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000019342969 564127992 /nfs/dbraw/zinc/12/79/92/564127992.db2.gz YEDVRDIEBWBOLX-PBHICJAKSA-N 0 3 335.444 3.712 40 0 EHABHN Fc1ccc2[nH]c(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)nc2c1 ZINC000096112220 564145362 /nfs/dbraw/zinc/14/53/62/564145362.db2.gz QXTNCWJOXSYFIU-PBHICJAKSA-N 0 3 335.398 3.574 40 0 biogenic,in-vitro EHABHN CC[C@@]1(C)C[C@@](CC(=O)O[C@@H](C)CN(C)C)(c2ccccc2)CCO1 ZINC000004696773 210250946 /nfs/dbraw/zinc/25/09/46/210250946.db2.gz BQVOKFAZPLBWCA-DZFGPLHGSA-N 0 3 347.499 3.787 40 0 EHABHN O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772951 213242136 /nfs/dbraw/zinc/24/21/36/213242136.db2.gz MBVAKXMWKGGFFW-UHFFFAOYSA-N 0 3 330.378 3.816 40 0 EHABHN c1cnc([N-]c2nccc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377844 216179120 /nfs/dbraw/zinc/17/91/20/216179120.db2.gz TXILFNLYSNFMCW-KRWDZBQOSA-N 0 3 338.459 3.727 40 0 EHABHN c1cnc([N-]c2nccc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377844 216179124 /nfs/dbraw/zinc/17/91/24/216179124.db2.gz TXILFNLYSNFMCW-KRWDZBQOSA-N 0 3 338.459 3.727 40 0 EHABHN Fc1ccccc1Oc1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072384257 216185489 /nfs/dbraw/zinc/18/54/89/216185489.db2.gz CCXLQJJRTGPSFC-QGZVFWFLSA-N 0 3 343.402 3.724 40 0 EHABHN Cc1nc(C)c(C(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)s1 ZINC000019560006 212042887 /nfs/dbraw/zinc/04/28/87/212042887.db2.gz LOGSQGQKRFMGMY-UHFFFAOYSA-N 0 3 340.452 3.656 40 0 EHABHN Cc1nc(C)c(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)s1 ZINC000019560006 212042888 /nfs/dbraw/zinc/04/28/88/212042888.db2.gz LOGSQGQKRFMGMY-UHFFFAOYSA-N 0 3 340.452 3.656 40 0 EHABHN CCCCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019366124 212022470 /nfs/dbraw/zinc/02/24/70/212022470.db2.gz GYVWQTIAPLIQAZ-UHFFFAOYSA-N 0 3 325.294 3.757 40 0 EHABHN c1csc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000019343421 212017704 /nfs/dbraw/zinc/01/77/04/212017704.db2.gz BBJNBIMFNUYULH-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN O=C(C1CCCC1)N1C[C@@H]2CCCCN(Cc3cccc(F)c3)[C@@H]2C1 ZINC000019293850 212012660 /nfs/dbraw/zinc/01/26/60/212012660.db2.gz FCEVECHKLRWBCO-AZUAARDMSA-N 0 3 344.474 3.829 40 0 EHABHN C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(C)CC1 ZINC000012223517 211325386 /nfs/dbraw/zinc/32/53/86/211325386.db2.gz QUTTUHHKTLFVPP-ZDUSSCGKSA-N 0 3 343.393 3.947 40 0 EHABHN COc1ccc([C@@H](Cc2ccc(Cl)c(Cl)c2)NCCO)cc1 ZINC000001595160 563395422 /nfs/dbraw/zinc/39/54/22/563395422.db2.gz OOMIHTWYYRQDSH-QGZVFWFLSA-N 0 3 340.250 3.868 40 0 EHABHN CN(Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051595 563978671 /nfs/dbraw/zinc/97/86/71/563978671.db2.gz LJQCLSCYKBBEBX-KRWDZBQOSA-N 0 3 344.480 3.858 40 0 EHABHN CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 ZINC000096061324 563978887 /nfs/dbraw/zinc/97/88/87/563978887.db2.gz CNBCKRZAHQUQRW-SFHVURJKSA-N 0 3 340.492 3.729 40 0 EHABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062393 563979016 /nfs/dbraw/zinc/97/90/16/563979016.db2.gz GVZVYQXXWZSODW-SFHVURJKSA-N 0 3 348.537 3.534 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000009063023 564016555 /nfs/dbraw/zinc/01/65/55/564016555.db2.gz FYMNNKXQAXSLIW-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN Cc1cccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000009062586 564016584 /nfs/dbraw/zinc/01/65/84/564016584.db2.gz UOCPULQMBMOJQK-UHFFFAOYSA-N 0 3 336.479 3.832 40 0 EHABHN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225698730 564049490 /nfs/dbraw/zinc/04/94/90/564049490.db2.gz VHFKLPOJPNWHAC-IBGZPJMESA-N 0 3 336.476 3.551 40 0 EHABHN CN1C(=O)C2(CCN(Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000096100234 564073162 /nfs/dbraw/zinc/07/31/62/564073162.db2.gz LNIOPKFIAQDRIF-QGZVFWFLSA-N 0 3 326.465 3.544 40 0 EHABHN CC(C)c1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000006365141 564112337 /nfs/dbraw/zinc/11/23/37/564112337.db2.gz ZEFIOGRPHXWQOO-FQEVSTJZSA-N 0 3 325.452 3.608 40 0 EHABHN O=C1[C@@H]2C[C@@H](CN2C2CCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111778 564145376 /nfs/dbraw/zinc/14/53/76/564145376.db2.gz VEQNBNZYGHRHIA-ICSRJNTNSA-N 0 3 348.446 3.608 40 0 biogenic,in-vitro EHABHN CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379055 216180209 /nfs/dbraw/zinc/18/02/09/216180209.db2.gz FUNHMMIKCLFQRS-QGZVFWFLSA-N 0 3 347.466 3.604 40 0 EHABHN COc1ccc(CN(CCN(C)C)Cc2cccs2)c(C)c1C ZINC000022914993 212334742 /nfs/dbraw/zinc/33/47/42/212334742.db2.gz WGOGZCHGEGDUAI-UHFFFAOYSA-N 0 3 332.513 3.937 40 0 EHABHN Clc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)c(Cl)c1 ZINC000217556027 241258649 /nfs/dbraw/zinc/25/86/49/241258649.db2.gz LNSQQZBGOXCKLA-ZDUSSCGKSA-N 0 3 334.210 3.523 40 0 EHABHN CCc1ncc(CN(Cc2cccs2)C[C@@H]2CCCN2CC)cn1 ZINC000019523294 212036811 /nfs/dbraw/zinc/03/68/11/212036811.db2.gz JIKSFYIPJOYICO-KRWDZBQOSA-N 0 3 344.528 3.587 40 0 EHABHN c1cc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cs1 ZINC000012668461 211431241 /nfs/dbraw/zinc/43/12/41/211431241.db2.gz QTLBYHORHMKPRE-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN O=c1oc2ccccc2n1[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000012119159 211298125 /nfs/dbraw/zinc/29/81/25/211298125.db2.gz ITUWCPKZFFHTMT-INIZCTEOSA-N 0 3 347.418 3.913 40 0 EHABHN C[C@@H](NC[C@@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434696 211172969 /nfs/dbraw/zinc/17/29/69/211172969.db2.gz ZVPLSJPATOUUND-PHFQPQGRSA-N 0 3 329.484 3.684 40 0 EHABHN CCOc1ccc(Cl)cc1CNCCCSc1ncccn1 ZINC000004998972 210355539 /nfs/dbraw/zinc/35/55/39/210355539.db2.gz GMCMCQKLGMYYMI-UHFFFAOYSA-N 0 3 337.876 3.801 40 0 EHABHN CN(C)C[C@@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000005848729 563552124 /nfs/dbraw/zinc/55/21/24/563552124.db2.gz AAOBFUBMMARQGD-CYBMUJFWSA-N 0 3 334.872 3.865 40 0 EHABHN O=C(CCc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000007849896 563616561 /nfs/dbraw/zinc/61/65/61/563616561.db2.gz VHAJPLBECYPJOW-UHFFFAOYSA-N 0 3 336.479 3.922 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)N3CCCC(C)(C)C3)CC2)c1 ZINC000039760147 563900490 /nfs/dbraw/zinc/90/04/90/563900490.db2.gz LWOJKPNTMAYQJA-UHFFFAOYSA-N 0 3 328.500 3.856 40 0 EHABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000096058443 563978771 /nfs/dbraw/zinc/97/87/71/563978771.db2.gz MCCIKYFKNXEUPM-WOJBJXKFSA-N 0 3 340.492 3.513 40 0 EHABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@H]12 ZINC000096058450 563978783 /nfs/dbraw/zinc/97/87/83/563978783.db2.gz PFZHTKMXLGYDMR-PMACEKPBSA-N 0 3 340.492 3.513 40 0 EHABHN Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccc4ccccc43)C2)o1 ZINC000096064975 563978980 /nfs/dbraw/zinc/97/89/80/563978980.db2.gz OPCOMWSSJRYMOR-MISYRCLQSA-N 0 3 349.434 3.678 40 0 EHABHN c1csc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)c1 ZINC000096206101 563980145 /nfs/dbraw/zinc/98/01/45/563980145.db2.gz XXJCLFAMCWPWMU-MJGOQNOKSA-N 0 3 343.496 3.626 40 0 EHABHN COCCN1CCC2(C[C@H](OCC3CC3)c3ccc(C)cc32)CC1 ZINC000096241747 563980503 /nfs/dbraw/zinc/98/05/03/563980503.db2.gz FWVDOLFKWQOAJB-FQEVSTJZSA-N 0 3 329.484 3.846 40 0 EHABHN Cc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c1C ZINC000585289951 563982038 /nfs/dbraw/zinc/98/20/38/563982038.db2.gz OPPXOINPTFDYCE-PWRODBHTSA-N 0 3 343.442 3.893 40 0 EHABHN Cc1cccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000005981709 564014396 /nfs/dbraw/zinc/01/43/96/564014396.db2.gz ROJFXUNGCAIAQL-UHFFFAOYSA-N 0 3 338.451 3.998 40 0 EHABHN COCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008469243 564016355 /nfs/dbraw/zinc/01/63/55/564016355.db2.gz WCRKKDSAUZHPLG-UHFFFAOYSA-N 0 3 335.831 3.664 40 0 EHABHN CC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225602084 564048258 /nfs/dbraw/zinc/04/82/58/564048258.db2.gz RIXKPOKJESAPLF-FQEVSTJZSA-N 0 3 348.487 3.551 40 0 EHABHN Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C)C2)ccn1 ZINC000257289837 564054843 /nfs/dbraw/zinc/05/48/43/564054843.db2.gz QAJZWKZOOYYBFV-SFHVURJKSA-N 0 3 347.466 3.811 40 0 EHABHN CN1CCC(N2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296351 564054963 /nfs/dbraw/zinc/05/49/63/564054963.db2.gz RCJRTGKRQNAIRS-IBGZPJMESA-N 0 3 343.446 3.636 40 0 EHABHN Fc1ccc(CN2CCC3(CO[C@H](Cc4cccnc4)C3)CC2)cc1 ZINC000257315428 564055281 /nfs/dbraw/zinc/05/52/81/564055281.db2.gz VBHVPDDYHNSZOS-HXUWFJFHSA-N 0 3 340.442 3.835 40 0 EHABHN O[C@H](COc1ccc(F)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000006061038 564074349 /nfs/dbraw/zinc/07/43/49/564074349.db2.gz GMUWNBGBPFJGJI-FQEVSTJZSA-N 0 3 343.442 3.520 40 0 EHABHN CC[C@@H]1[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@@H]1O ZINC000102063716 219183344 /nfs/dbraw/zinc/18/33/44/219183344.db2.gz WBWWKIRERSPQIP-WOZUAGRISA-N 0 3 341.451 3.867 40 0 EHABHN CC1(C)[C@H]2CC[C@]1(C)c1nc(SCCN3CCCCC3)nnc12 ZINC000000415597 209579424 /nfs/dbraw/zinc/57/94/24/209579424.db2.gz BLTVOQXKMCVBHF-SCLBCKFNSA-N 0 3 332.517 3.625 40 0 EHABHN CN(C)CCN(Cc1cccn1C1CCCCC1)Cc1ccccn1 ZINC000022913967 212333268 /nfs/dbraw/zinc/33/32/68/212333268.db2.gz XCCFGIASQPNWJI-UHFFFAOYSA-N 0 3 340.515 3.952 40 0 EHABHN Cc1nc(NCc2ccccc2)cc(N2CCc3ccccc3C2)n1 ZINC000242849623 243023039 /nfs/dbraw/zinc/02/30/39/243023039.db2.gz FYWJYCAADIMEHK-UHFFFAOYSA-N 0 3 330.435 3.960 40 0 EHABHN CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(=O)OC(C)(C)C ZINC000257209788 244146268 /nfs/dbraw/zinc/14/62/68/244146268.db2.gz BRWXABGRZNWULM-BRWVUGGUSA-N 0 3 334.435 3.623 40 0 EHABHN CN1CCC2(CC1)CN(Cc1ccc(F)cc1)Cc1ccccc1O2 ZINC000019588420 212049192 /nfs/dbraw/zinc/04/91/92/212049192.db2.gz WKWOFAOLXRFOAT-UHFFFAOYSA-N 0 3 340.442 3.685 40 0 EHABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(Cl)cc1Cl ZINC000019582711 212047683 /nfs/dbraw/zinc/04/76/83/212047683.db2.gz ORAZKJLQPKXSTQ-UHFFFAOYSA-N 0 3 338.282 3.952 40 0 EHABHN O[C@@H](c1ccccc1)[C@@H](NCCNCc1ccccc1)c1ccccc1 ZINC000019366031 212023070 /nfs/dbraw/zinc/02/30/70/212023070.db2.gz SGOMBIGJIMEQGI-GOTSBHOMSA-N 0 3 346.474 3.841 40 0 EHABHN c1cc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cs1 ZINC000019341484 212018615 /nfs/dbraw/zinc/01/86/15/212018615.db2.gz DSINDGNPGJMHCH-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN COc1c(C)cccc1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012328684 211349035 /nfs/dbraw/zinc/34/90/35/211349035.db2.gz HPNLPAMXGPVEPO-UHFFFAOYSA-N 0 3 325.452 3.796 40 0 EHABHN O[C@H](CN1CCCC1)c1cc2cc(Br)ccc2s1 ZINC000006567339 563572770 /nfs/dbraw/zinc/57/27/70/563572770.db2.gz RXIKWIMNBGJIMG-GFCCVEGCSA-N 0 3 326.259 3.793 40 0 EHABHN COCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008469071 563630910 /nfs/dbraw/zinc/63/09/10/563630910.db2.gz UCXWTSLBSQJDSP-UHFFFAOYSA-N 0 3 335.831 3.664 40 0 EHABHN O=C(NCCc1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000016640394 563818470 /nfs/dbraw/zinc/81/84/70/563818470.db2.gz KSALGPDTWVYRIC-UHFFFAOYSA-N 0 3 340.442 3.784 40 0 EHABHN COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000030862144 563911254 /nfs/dbraw/zinc/91/12/54/563911254.db2.gz QGKDFUXNOVALFU-UHFFFAOYSA-N 0 3 338.451 3.563 40 0 EHABHN OCCN(Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935037 563977801 /nfs/dbraw/zinc/97/78/01/563977801.db2.gz VLOIRQINEHZGIT-DHIUTWEWSA-N 0 3 347.458 3.956 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047016 563978189 /nfs/dbraw/zinc/97/81/89/563978189.db2.gz YUABDOATDQDXNZ-IBGZPJMESA-N 0 3 344.480 3.778 40 0 EHABHN COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)cc1 ZINC000096047613 563978244 /nfs/dbraw/zinc/97/82/44/563978244.db2.gz YKCPKELHLDNUBK-HKUYNNGSSA-N 0 3 344.480 3.602 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048741 563978348 /nfs/dbraw/zinc/97/83/48/563978348.db2.gz XNHXNTWOQSQUFA-GOSISDBHSA-N 0 3 330.453 3.669 40 0 EHABHN O=C1CCC2(CCN(Cc3cccs3)CC2)N1Cc1ccccc1 ZINC000096049411 563978396 /nfs/dbraw/zinc/97/83/96/563978396.db2.gz XWDLZSQENVRQCX-UHFFFAOYSA-N 0 3 340.492 3.905 40 0 EHABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2cccs2)C3)c1 ZINC000096062390 563978948 /nfs/dbraw/zinc/97/89/48/563978948.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 0 3 348.537 3.534 40 0 EHABHN CN1C(=O)C2(CCN(Cc3ccsc3)CC2)[C@@H]1c1ccccc1 ZINC000096100239 563979162 /nfs/dbraw/zinc/97/91/62/563979162.db2.gz RXIVFJVJCTVEID-KRWDZBQOSA-N 0 3 326.465 3.544 40 0 EHABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](N[C@H]2CCCc3cccnc32)CC1 ZINC000252669846 564033062 /nfs/dbraw/zinc/03/30/62/564033062.db2.gz IUOWKWOLHMLRTR-ULQDDVLXSA-N 0 3 345.487 3.885 40 0 EHABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccccc1 ZINC000013991303 564087304 /nfs/dbraw/zinc/08/73/04/564087304.db2.gz ZGCUASCGQUIHHW-UHFFFAOYSA-N 0 3 335.451 3.984 40 0 EHABHN CN(C)C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)C ZINC000022442730 564177330 /nfs/dbraw/zinc/17/73/30/564177330.db2.gz YZQNFFLGIYEXMM-OAHLLOKOSA-N 0 3 327.497 3.781 40 0 in-man EHABHN COc1ccc(-c2noc([C@@H]3CCCN3C3CCCCC3)n2)cn1 ZINC000035425833 213027667 /nfs/dbraw/zinc/02/76/67/213027667.db2.gz BWKXHSCYGXDJOS-HNNXBMFYSA-N 0 3 328.416 3.610 40 0 biogenic,in-vitro EHABHN c1cn(-c2cccc([C@@H]3CCCN(CCOc4ccccc4)C3)n2)cn1 ZINC000072378783 216180315 /nfs/dbraw/zinc/18/03/15/216180315.db2.gz YIDUCVLPKQMEND-GOSISDBHSA-N 0 3 348.450 3.526 40 0 EHABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257233093 244220869 /nfs/dbraw/zinc/22/08/69/244220869.db2.gz GNTOTNUBQGUNND-KRWDZBQOSA-N 0 3 333.439 3.555 40 0 EHABHN Nc1cc2cc(F)ccc2nc1C1CCN(Cc2ccncc2)CC1 ZINC000019346109 212020232 /nfs/dbraw/zinc/02/02/32/212020232.db2.gz QSCHIBWYKFOKOI-UHFFFAOYSA-N 0 3 336.414 3.731 40 0 EHABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000002694478 563445853 /nfs/dbraw/zinc/44/58/53/563445853.db2.gz WSEOTWCMPKAJSV-YLJYHZDGSA-N 0 3 339.479 3.998 40 0 EHABHN CC[C@H](CO)NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008327036 563626893 /nfs/dbraw/zinc/62/68/93/563626893.db2.gz NJGPHHGTSGQFDU-MRXNPFEDSA-N 0 3 349.858 3.788 40 0 EHABHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008326315 563626932 /nfs/dbraw/zinc/62/69/32/563626932.db2.gz JNOIPIRSHBYVQA-KRWDZBQOSA-N 0 3 337.822 3.919 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cs1 ZINC000585105292 563971634 /nfs/dbraw/zinc/97/16/34/563971634.db2.gz SKHBPJXABBQSEY-GOSISDBHSA-N 0 3 335.513 3.936 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000096047589 563978257 /nfs/dbraw/zinc/97/82/57/563978257.db2.gz PWISKJJIVVAGDI-PKOBYXMFSA-N 0 3 330.403 3.573 40 0 EHABHN O=C(c1ccco1)N1CCCC12CCN(Cc1ccsc1)CC2 ZINC000096049326 563978445 /nfs/dbraw/zinc/97/84/45/563978445.db2.gz GMZWUQDFGQJYLW-UHFFFAOYSA-N 0 3 330.453 3.612 40 0 EHABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050721 563978511 /nfs/dbraw/zinc/97/85/11/563978511.db2.gz VSUPQPCWFZIBMZ-IBGZPJMESA-N 0 3 344.455 3.825 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000096054598 563978703 /nfs/dbraw/zinc/97/87/03/563978703.db2.gz NMVMOJUPFNJQDD-BHYGNILZSA-N 0 3 344.480 3.714 40 0 EHABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@H]12 ZINC000096058449 563978768 /nfs/dbraw/zinc/97/87/68/563978768.db2.gz PFZHTKMXLGYDMR-VQTJNVASSA-N 0 3 340.492 3.513 40 0 EHABHN COc1ccc2c(c1)C1(CCN(Cc3ccsc3)CC1)N(C)CC2 ZINC000096100210 563979194 /nfs/dbraw/zinc/97/91/94/563979194.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 0 3 342.508 3.736 40 0 EHABHN Cc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)s1 ZINC000096255232 563980604 /nfs/dbraw/zinc/98/06/04/563980604.db2.gz NSCMEIWNGFMXDB-UHFFFAOYSA-N 0 3 336.464 3.509 40 0 EHABHN O=C(NCC1=CCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552264 564043113 /nfs/dbraw/zinc/04/31/13/564043113.db2.gz ODJMQPOQINSGOW-UHFFFAOYSA-N 0 3 330.447 3.654 40 0 EHABHN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225692498 564049417 /nfs/dbraw/zinc/04/94/17/564049417.db2.gz DNRPWIGSCCJOIU-HXUWFJFHSA-N 0 3 348.487 3.695 40 0 EHABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 ZINC000257285311 564054677 /nfs/dbraw/zinc/05/46/77/564054677.db2.gz PGODJCBXVULLFD-HNNXBMFYSA-N 0 3 334.423 3.543 40 0 EHABHN Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C)C2)ccn1 ZINC000257289836 564054816 /nfs/dbraw/zinc/05/48/16/564054816.db2.gz QAJZWKZOOYYBFV-GOSISDBHSA-N 0 3 347.466 3.811 40 0 EHABHN COc1cccc(Cc2cnc([C@H]3CCN(Cc4cccnc4)C3)o2)c1 ZINC000257343011 564055821 /nfs/dbraw/zinc/05/58/21/564055821.db2.gz ZRBHFKNYWXJOEY-SFHVURJKSA-N 0 3 349.434 3.659 40 0 EHABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3ccoc3)C1)C2 ZINC000306138555 564062293 /nfs/dbraw/zinc/06/22/93/564062293.db2.gz SATQGSIKISDRBF-NRFANRHFSA-N 0 3 349.434 3.600 40 0 EHABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3ccco3)C1)C2 ZINC000306140495 564062343 /nfs/dbraw/zinc/06/23/43/564062343.db2.gz UVAPGIPVBWBGQO-OAQYLSRUSA-N 0 3 349.434 3.600 40 0 EHABHN CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C)n1 ZINC000329008513 564071484 /nfs/dbraw/zinc/07/14/84/564071484.db2.gz LRUFHIANFBHAAR-UHFFFAOYSA-N 0 3 347.260 3.542 40 0 EHABHN COc1cc2c(c(Cl)c1OC)CCN(C)C[C@@H]2c1ccccc1 ZINC000001590934 564095790 /nfs/dbraw/zinc/09/57/90/564095790.db2.gz VDCYGTBDVYWJFQ-MRXNPFEDSA-N 0 3 331.843 3.977 40 0 EHABHN COc1cc2c(c(Cl)c1OC)CCN(C)C[C@H]2c1ccccc1 ZINC000005662919 564111787 /nfs/dbraw/zinc/11/17/87/564111787.db2.gz VDCYGTBDVYWJFQ-INIZCTEOSA-N 0 3 331.843 3.977 40 0 EHABHN Cc1cccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000264041174 564124739 /nfs/dbraw/zinc/12/47/39/564124739.db2.gz CDMBNMXMOKUDQV-UHFFFAOYSA-N 0 3 334.463 3.658 40 0 EHABHN CCc1cc(OC)c(CCNCc2ccccc2OC)cc1OC ZINC000096024579 564128674 /nfs/dbraw/zinc/12/86/74/564128674.db2.gz PXDVGFGXPVCNAB-UHFFFAOYSA-N 0 3 329.440 3.607 40 0 in-vitro EHABHN COCCN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358504 216166383 /nfs/dbraw/zinc/16/63/83/216166383.db2.gz YKTYMKDMWOAXBW-OAHLLOKOSA-N 0 3 331.847 3.623 40 0 EHABHN CCc1nccn1-c1cncc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000072355453 216164596 /nfs/dbraw/zinc/16/45/96/216164596.db2.gz QUZOKZKHEACNDN-SFHVURJKSA-N 0 3 347.466 3.604 40 0 EHABHN c1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 ZINC000072362854 216169676 /nfs/dbraw/zinc/16/96/76/216169676.db2.gz KVEWKNNMXZRXGU-UHFFFAOYSA-N 0 3 339.439 3.627 40 0 EHABHN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225738264 242012484 /nfs/dbraw/zinc/01/24/84/242012484.db2.gz UDLOLDIBPDCUFO-IBGZPJMESA-N 0 3 336.476 3.551 40 0 EHABHN Cc1nc(Nc2cc([C@@H]3CCN(C(C)C)C3)nc(C)n2)sc1C ZINC000257221196 244185289 /nfs/dbraw/zinc/18/52/89/244185289.db2.gz DNXQLWPVXCXDPC-CQSZACIVSA-N 0 3 331.489 3.800 40 0 EHABHN Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)s1 ZINC000257245026 244255257 /nfs/dbraw/zinc/25/52/57/244255257.db2.gz INVABXNQKBGMFD-QGZVFWFLSA-N 0 3 343.496 3.533 40 0 EHABHN CN(C(=O)C(C)(C)C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019080980 212000093 /nfs/dbraw/zinc/00/00/93/212000093.db2.gz WOHJKTNNWBVLJE-UHFFFAOYSA-N 0 3 344.499 3.697 40 0 EHABHN C[C@H]1Cc2cc(CN3CCC(O)(c4ccc(F)cc4)CC3)ccc2O1 ZINC000012363605 211355674 /nfs/dbraw/zinc/35/56/74/211355674.db2.gz UHKGKNZWYHKNRY-HNNXBMFYSA-N 0 3 341.426 3.633 40 0 EHABHN Cc1nc2cc(C)ccn2c1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012147587 211307340 /nfs/dbraw/zinc/30/73/40/211307340.db2.gz CTXLSIBTRZPESP-UHFFFAOYSA-N 0 3 349.478 3.743 40 0 EHABHN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccc(C)n2)c1 ZINC000012085293 211288633 /nfs/dbraw/zinc/28/86/33/211288633.db2.gz PJFBBRGAHXJKKO-CDXJDZJCSA-N 0 3 338.451 3.831 40 0 EHABHN Cc1ccc(CN2CCC3(CC[C@H](c4nc(C)no4)O3)CC2)s1 ZINC000096218530 218693915 /nfs/dbraw/zinc/69/39/15/218693915.db2.gz IHJRZFTYGAGLOY-OAHLLOKOSA-N 0 3 333.457 3.634 40 0 EHABHN Cc1cc2cc3c(cc2nc1SCCN1CCCCC1)OCO3 ZINC000004858654 210303420 /nfs/dbraw/zinc/30/34/20/210303420.db2.gz BAUVJELRLCOQFN-UHFFFAOYSA-N 0 3 330.453 3.850 40 0 EHABHN CN(C)C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934888 221205956 /nfs/dbraw/zinc/20/59/56/221205956.db2.gz JZXWQNLDFVFNTR-PKAJHXTNSA-N 0 3 345.527 3.667 40 0 EHABHN CCSC1(SCC)C(=O)OC2=C(CCCCC2)[C@H]1N(C)C ZINC000031759753 563912909 /nfs/dbraw/zinc/91/29/09/563912909.db2.gz CCUKNXILYRZVMB-CQSZACIVSA-N 0 3 329.531 3.894 40 0 EHABHN Cc1ccsc1CN1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046168 563977975 /nfs/dbraw/zinc/97/79/75/563977975.db2.gz ANUFKRYZRYRWAP-USXIJHARSA-N 0 3 329.469 3.507 40 0 EHABHN c1coc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)c1 ZINC000096047212 563978223 /nfs/dbraw/zinc/97/82/23/563978223.db2.gz NRZSZEQMJYZIPJ-UHFFFAOYSA-N 0 3 331.485 3.614 40 0 EHABHN c1cc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)co1 ZINC000096047846 563978375 /nfs/dbraw/zinc/97/83/75/563978375.db2.gz NEBKXEOKKZAGQC-LJQANCHMSA-N 0 3 327.424 3.620 40 0 EHABHN Cc1cc(C)c2[nH]c(=O)c(CN[C@H](CO)CC3CCCCC3)cc2c1 ZINC000585295349 563982833 /nfs/dbraw/zinc/98/28/33/563982833.db2.gz WDNMNWWXHIPXPD-IBGZPJMESA-N 0 3 342.483 3.978 40 0 EHABHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(Cl)c1 ZINC000192311992 564025280 /nfs/dbraw/zinc/02/52/80/564025280.db2.gz PZBGJDOBRVJMRV-UHFFFAOYSA-N 0 3 342.870 3.827 40 0 EHABHN COc1ccc([C@@H]2CC(N)=NN2c2ccc(C(F)(F)F)cc2)cc1 ZINC000222547804 564036943 /nfs/dbraw/zinc/03/69/43/564036943.db2.gz GITZRHCRSCYTKB-HNNXBMFYSA-N 0 3 335.329 3.938 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccs3)C[C@@H]21 ZINC000248122765 564052981 /nfs/dbraw/zinc/05/29/81/564052981.db2.gz NMVMOJUPFNJQDD-HYVNUMGLSA-N 0 3 344.480 3.714 40 0 EHABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257318689 564055426 /nfs/dbraw/zinc/05/54/26/564055426.db2.gz VOZWRWSVUBLIQT-FQEVSTJZSA-N 0 3 349.482 3.665 40 0 EHABHN c1nc([N-]c2cncc(C3CC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000143346123 564174253 /nfs/dbraw/zinc/17/42/53/564174253.db2.gz SHJMJPKJIIXYTP-UHFFFAOYSA-N 0 3 337.452 3.811 40 0 EHABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832851 213226807 /nfs/dbraw/zinc/22/68/07/213226807.db2.gz TZJGCXIBJFIDOF-QFBILLFUSA-N 0 3 340.442 3.915 40 0 EHABHN O=c1cc(C2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392692 216191559 /nfs/dbraw/zinc/19/15/59/216191559.db2.gz ARVORMDYLOHKKX-UHFFFAOYSA-N 0 3 346.434 3.624 40 0 EHABHN CCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC(C)CC1 ZINC000225720042 242001973 /nfs/dbraw/zinc/00/19/73/242001973.db2.gz BUACWPHAGOZOPQ-UHFFFAOYSA-N 0 3 348.487 3.551 40 0 EHABHN O=C(c1ccsc1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257199703 244115427 /nfs/dbraw/zinc/11/54/27/244115427.db2.gz AAOARSIQDLZZAE-SFHVURJKSA-N 0 3 341.480 3.716 40 0 EHABHN Cc1c[nH]c([C@@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257219671 244177483 /nfs/dbraw/zinc/17/74/83/244177483.db2.gz DHPZTYCIJVIUAO-CYBMUJFWSA-N 0 3 327.457 3.549 40 0 EHABHN CCCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019525951 212038349 /nfs/dbraw/zinc/03/83/49/212038349.db2.gz KZPLCZNPOBYAAA-KRWDZBQOSA-N 0 3 337.471 3.857 40 0 EHABHN O[C@H](c1ccccc1)[C@H](NCCNCc1ccccc1)c1ccccc1 ZINC000019366030 212022726 /nfs/dbraw/zinc/02/27/26/212022726.db2.gz SGOMBIGJIMEQGI-DHIUTWEWSA-N 0 3 346.474 3.841 40 0 EHABHN Cc1ccccc1CN1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019237172 212006859 /nfs/dbraw/zinc/00/68/59/212006859.db2.gz JAJHZIKWORXANM-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN COc1ccc(C2(NCc3c[nH]nc3-c3cccc(OC)c3)CC2)cc1 ZINC000012117039 211295792 /nfs/dbraw/zinc/29/57/92/211295792.db2.gz GPNMOSQNBSXXAM-UHFFFAOYSA-N 0 3 349.434 3.873 40 0 EHABHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000039767091 132397920 /nfs/dbraw/zinc/39/79/20/132397920.db2.gz UNGZZWRBWWIPNG-UHFFFAOYSA-N 0 3 334.463 3.878 40 0 EHABHN CN1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232943 536459908 /nfs/dbraw/zinc/45/99/08/536459908.db2.gz GNBHUYHDZMDQJE-QGZVFWFLSA-N 0 3 333.439 3.503 40 0 EHABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000226721208 535095418 /nfs/dbraw/zinc/09/54/18/535095418.db2.gz QJAWMQQAZFJDAY-ITTUMRLJSA-N 0 3 343.511 3.637 40 0 EHABHN Cc1ccccc1C(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408607191 563495714 /nfs/dbraw/zinc/49/57/14/563495714.db2.gz JSDWQFRTTFFUIO-HXUWFJFHSA-N 0 3 334.463 3.658 40 0 EHABHN CC[C@@H](CO)NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000008326349 563626766 /nfs/dbraw/zinc/62/67/66/563626766.db2.gz QGZAUDIRGZDMBN-INIZCTEOSA-N 0 3 349.858 3.788 40 0 EHABHN CC[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008326345 563626868 /nfs/dbraw/zinc/62/68/68/563626868.db2.gz HFHLFMBEBBHJAW-KRWDZBQOSA-N 0 3 349.858 3.788 40 0 EHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000257330095 563970605 /nfs/dbraw/zinc/97/06/05/563970605.db2.gz XMTNOSDZYDYGKA-ZWOKBUDYSA-N 0 3 343.515 3.797 40 0 EHABHN O=C(c1ccco1)N1CCCC12CCN(Cc1cccs1)CC2 ZINC000096049324 563978403 /nfs/dbraw/zinc/97/84/03/563978403.db2.gz RBLGBGFYUMLPBM-UHFFFAOYSA-N 0 3 330.453 3.612 40 0 EHABHN Cc1nc(CN2CCC23CCN(Cc2ccsc2)CC3)cs1 ZINC000096077986 563979103 /nfs/dbraw/zinc/97/91/03/563979103.db2.gz OKSRPJGVPNDHEO-UHFFFAOYSA-N 0 3 333.526 3.754 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)NC4CCCC4)C3)C2)o1 ZINC000096215964 563980360 /nfs/dbraw/zinc/98/03/60/563980360.db2.gz RLJPHNAUZADAJE-FQEVSTJZSA-N 0 3 345.487 3.528 40 0 EHABHN Cc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)s1 ZINC000096255313 563980644 /nfs/dbraw/zinc/98/06/44/563980644.db2.gz KPEVLHUUWRQLJZ-UHFFFAOYSA-N 0 3 336.464 3.509 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730574 563984126 /nfs/dbraw/zinc/98/41/26/563984126.db2.gz DPHIXUKXHVKHPN-IEBWSBKVSA-N 0 3 344.480 3.654 40 0 EHABHN O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063625 564016628 /nfs/dbraw/zinc/01/66/28/564016628.db2.gz BYRCRVKZTVCPBV-UHFFFAOYSA-N 0 3 348.368 3.955 40 0 EHABHN O[C@@]1(CN2c3ccccc3Sc3ccccc32)CN2CCC1CC2 ZINC000044830518 564117961 /nfs/dbraw/zinc/11/79/61/564117961.db2.gz PNBTYAVTIJXSSH-HXUWFJFHSA-N 0 3 338.476 3.746 40 0 EHABHN Cc1cccnc1Nc1cc(C2CCN(Cc3cnc[nH]3)CC2)ccn1 ZINC000257339299 564134845 /nfs/dbraw/zinc/13/48/45/564134845.db2.gz ZBDIGVKSYXVXPE-UHFFFAOYSA-N 0 3 348.454 3.631 40 0 EHABHN COc1ccc([C@H]2CCCN2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734403 213114937 /nfs/dbraw/zinc/11/49/37/213114937.db2.gz WSSSDVNRQADDTO-CVEARBPZSA-N 0 3 333.453 3.636 40 0 EHABHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2cccs2)c(OC)c1 ZINC000036734400 213114384 /nfs/dbraw/zinc/11/43/84/213114384.db2.gz WSSSDVNRQADDTO-HOTGVXAUSA-N 0 3 333.453 3.636 40 0 EHABHN Cc1cc(C)c([C@@H]2SC(=N)N[C@@H]2[C@H](O)c2ccccc2)c(C)c1 ZINC000035310481 213019965 /nfs/dbraw/zinc/01/99/65/213019965.db2.gz GUUSIDHEGVWPIO-KURKYZTESA-N 0 3 326.465 3.817 40 0 EHABHN CCc1nccn1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379056 216182075 /nfs/dbraw/zinc/18/20/75/216182075.db2.gz FUNHMMIKCLFQRS-KRWDZBQOSA-N 0 3 347.466 3.604 40 0 EHABHN Cn1ccc2cc(C[C@H]3COCCN(CCC(F)(F)F)C3)ccc21 ZINC000257206443 244135635 /nfs/dbraw/zinc/13/56/35/244135635.db2.gz BDLMOVPUVMFTRS-OAHLLOKOSA-N 0 3 340.389 3.622 40 0 EHABHN CC(=O)NCc1cccc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257226421 244202142 /nfs/dbraw/zinc/20/21/42/244202142.db2.gz FKOJTRHYOZDDPE-NRFANRHFSA-N 0 3 348.450 3.536 40 0 EHABHN Cc1nccc([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257242143 244247897 /nfs/dbraw/zinc/24/78/97/244247897.db2.gz IBGXDFCUOJGZFP-KRWDZBQOSA-N 0 3 333.439 3.555 40 0 EHABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccccn1 ZINC000019589110 212048587 /nfs/dbraw/zinc/04/85/87/212048587.db2.gz FOLAOQFQEDTLQN-TYPHKJRUSA-N 0 3 349.478 3.564 40 0 EHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000019500295 212033379 /nfs/dbraw/zinc/03/33/79/212033379.db2.gz AOEKYIKBSOFLHI-QGZVFWFLSA-N 0 3 341.499 3.708 40 0 EHABHN COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000012122110 211300704 /nfs/dbraw/zinc/30/07/04/211300704.db2.gz ITYMEKWPIFULMX-UHFFFAOYSA-N 0 3 339.435 3.639 40 0 EHABHN C[C@H](NC[C@@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434694 211173358 /nfs/dbraw/zinc/17/33/58/211173358.db2.gz ZVPLSJPATOUUND-ZCQORQLVSA-N 0 3 329.484 3.684 40 0 EHABHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326390 210936241 /nfs/dbraw/zinc/93/62/41/210936241.db2.gz SYNWNJLMFGJBPI-KRWDZBQOSA-N 0 3 349.858 3.788 40 0 EHABHN CC[C@@H](OC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000006356116 563565860 /nfs/dbraw/zinc/56/58/60/563565860.db2.gz QBKYHGIVYNYNLB-LEWJYISDSA-N 0 3 325.452 3.574 40 0 EHABHN Cc1ccsc1CN(CC1=Cc2ccccc2OC1)C[C@@H](C)O ZINC000057810253 563935919 /nfs/dbraw/zinc/93/59/19/563935919.db2.gz IFEKMLXIAIBTJG-OAHLLOKOSA-N 0 3 329.465 3.715 40 0 EHABHN Cc1ccsc1CN1CCC2(CC[C@H](c3nc(C)no3)O2)CC1 ZINC000096219213 563980436 /nfs/dbraw/zinc/98/04/36/563980436.db2.gz JXIYZQSZTSJTIM-CQSZACIVSA-N 0 3 333.457 3.634 40 0 EHABHN Fc1ccc(C[C@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)cc1 ZINC000257338037 564055740 /nfs/dbraw/zinc/05/57/40/564055740.db2.gz YVNHQSWUMHSCRR-FQEVSTJZSA-N 0 3 340.442 3.835 40 0 EHABHN COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C)n1)C2 ZINC000329014821 564071564 /nfs/dbraw/zinc/07/15/64/564071564.db2.gz MYXJKNMYTAEJRP-UHFFFAOYSA-N 0 3 338.455 3.711 40 0 EHABHN Cc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264174992 564124751 /nfs/dbraw/zinc/12/47/51/564124751.db2.gz KUMJKZPCIWESMT-UHFFFAOYSA-N 0 3 334.463 3.658 40 0 EHABHN COc1cccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000095533599 564141666 /nfs/dbraw/zinc/14/16/66/564141666.db2.gz MBGLCINNZVUAMG-KRWDZBQOSA-N 0 3 336.439 3.826 40 0 EHABHN COc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039745122 213242876 /nfs/dbraw/zinc/24/28/76/213242876.db2.gz GPTIBDYIUHADKV-UHFFFAOYSA-N 0 3 342.414 3.685 40 0 EHABHN CN(C)CCNc1nc(Nc2ccccc2)cc(-c2ccccc2)n1 ZINC000243441601 243025779 /nfs/dbraw/zinc/02/57/79/243025779.db2.gz NCCIOWMTWRURRZ-UHFFFAOYSA-N 0 3 333.439 3.861 40 0 EHABHN CCC(CC)N1CCN(Cc2ccccc2Br)CC1 ZINC000020573384 212149239 /nfs/dbraw/zinc/14/92/39/212149239.db2.gz NHLJCRCEUGNRRZ-UHFFFAOYSA-N 0 3 325.294 3.755 40 0 EHABHN Cc1[nH]c2ccccc2c1Cc1cc(N[C@H]2CCCN(C)C2)nc(C)n1 ZINC000019655574 212052978 /nfs/dbraw/zinc/05/29/78/212052978.db2.gz JWUQNZJJSQNHLW-INIZCTEOSA-N 0 3 349.482 3.672 40 0 EHABHN CC(C)N1CCC[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000012220209 211322393 /nfs/dbraw/zinc/32/23/93/211322393.db2.gz HKXVYKUYJCLTCT-ZBFHGGJFSA-N 0 3 340.389 3.650 40 0 EHABHN CC(C)(C)c1n[nH]cc1CN1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000012143571 211305457 /nfs/dbraw/zinc/30/54/57/211305457.db2.gz KVIMUCPQAMNFND-HXUWFJFHSA-N 0 3 345.462 3.720 40 0 EHABHN CC(C)(C)c1ccc(OCc2n[nH]c([C@H](N)c3ccccc3)n2)cc1 ZINC000095533474 257701507 /nfs/dbraw/zinc/70/15/07/257701507.db2.gz MUOKEALGDNIJKT-GOSISDBHSA-N 0 3 336.439 3.729 40 0 EHABHN c1cc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cs1 ZINC000012668924 563667494 /nfs/dbraw/zinc/66/74/94/563667494.db2.gz HKUAGBQPQSTUSH-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cs1 ZINC000585105293 563971623 /nfs/dbraw/zinc/97/16/23/563971623.db2.gz SKHBPJXABBQSEY-SFHVURJKSA-N 0 3 335.513 3.936 40 0 EHABHN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000096047602 563978251 /nfs/dbraw/zinc/97/82/51/563978251.db2.gz AYISQKGCRWQKOS-VQIMIIECSA-N 0 3 344.480 3.602 40 0 EHABHN Fc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096047577 563978281 /nfs/dbraw/zinc/97/82/81/563978281.db2.gz DCSMHJYMKBDLGL-FUHWJXTLSA-N 0 3 332.444 3.733 40 0 EHABHN Cc1cccc(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000096087432 563979136 /nfs/dbraw/zinc/97/91/36/563979136.db2.gz NGJOMPWCGAIAJZ-NRFANRHFSA-N 0 3 348.490 3.976 40 0 EHABHN Cc1nc(COC[C@@]23CCC[C@@H]2CN(Cc2ccncc2)C3)cs1 ZINC000096109271 563979238 /nfs/dbraw/zinc/97/92/38/563979238.db2.gz KYNPAZNFFFGSOT-MJGOQNOKSA-N 0 3 343.496 3.665 40 0 EHABHN Cc1noc(C)c1CN1CCC2(CC(Oc3cccnc3)C2)CC1 ZINC000096159347 563979816 /nfs/dbraw/zinc/97/98/16/563979816.db2.gz AUIXBYPJVQSFKV-UHFFFAOYSA-N 0 3 327.428 3.510 40 0 EHABHN COc1cccc(CN2CCC[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096215593 563980240 /nfs/dbraw/zinc/98/02/40/563980240.db2.gz AQKVUCXWAVRKIF-NRFANRHFSA-N 0 3 337.467 3.583 40 0 EHABHN CC(C)N1CCC2(CC1)c1cccc(F)c1N(c1cccnc1)C2=O ZINC000096261759 563980675 /nfs/dbraw/zinc/98/06/75/563980675.db2.gz RVPCNTWTXXYNNT-UHFFFAOYSA-N 0 3 339.414 3.641 40 0 EHABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccc(F)cc1 ZINC000585288780 563981949 /nfs/dbraw/zinc/98/19/49/563981949.db2.gz IYSRZJHODOIJGA-IPMKNSEASA-N 0 3 349.833 3.930 40 0 EHABHN Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072219389 563985807 /nfs/dbraw/zinc/98/58/07/563985807.db2.gz FGNMGNPSISHKCR-FQEVSTJZSA-N 0 3 337.467 3.564 40 0 EHABHN COCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008469160 564016348 /nfs/dbraw/zinc/01/63/48/564016348.db2.gz ISNATRRCHHXQGE-UHFFFAOYSA-N 0 3 335.831 3.664 40 0 EHABHN Cc1cc(C)n(C[C@@H](O)CN(Cc2ccco2)CC2CCCCC2)n1 ZINC000013991971 564020770 /nfs/dbraw/zinc/02/07/70/564020770.db2.gz VKVUPOKTDUKZTE-IBGZPJMESA-N 0 3 345.487 3.536 40 0 EHABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCCC2)Cc2c[nH]c3cccc1c23 ZINC000049171384 564032691 /nfs/dbraw/zinc/03/26/91/564032691.db2.gz MSFPAGSWBSSYEM-OALUTQOASA-N 0 3 339.483 3.828 40 0 biogenic,in-vitro EHABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000100750223 219105632 /nfs/dbraw/zinc/10/56/32/219105632.db2.gz XMTNOSDZYDYGKA-QKLQHJQFSA-N 0 3 343.515 3.797 40 0 EHABHN CC[C@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 ZINC000004133166 210129741 /nfs/dbraw/zinc/12/97/41/210129741.db2.gz WBWWKIRERSPQIP-DOIPELPJSA-N 0 3 341.451 3.867 40 0 EHABHN Fc1ccc(-c2cc(CC3(NCC4CCCCC4)COC3)no2)cc1 ZINC000067897864 215245257 /nfs/dbraw/zinc/24/52/57/215245257.db2.gz KVZRHZAMUVSIOY-UHFFFAOYSA-N 0 3 344.430 3.962 40 0 biogenic,in-vitro EHABHN CC(C)C(NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(C)C ZINC000038849181 213228427 /nfs/dbraw/zinc/22/84/27/213228427.db2.gz KFRFPBLHPHPYOC-KRWDZBQOSA-N 0 3 334.479 3.835 40 0 EHABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccnc2)C3)cc1 ZINC000035290332 213017776 /nfs/dbraw/zinc/01/77/76/213017776.db2.gz QNAPGRIGQHFXPU-SEJPIABJSA-N 0 3 349.478 3.706 40 0 EHABHN Clc1ccccc1CN1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389886 216189862 /nfs/dbraw/zinc/18/98/62/216189862.db2.gz QBFQXWAFESYXMS-OAHLLOKOSA-N 0 3 340.814 3.775 40 0 EHABHN Clc1ccccc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389903 216190294 /nfs/dbraw/zinc/19/02/94/216190294.db2.gz NGRLZXIDHICJDA-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 EHABHN COc1cccc(CNCCN(C)C)c1OCc1ccccc1Cl ZINC000022075194 212277095 /nfs/dbraw/zinc/27/70/95/212277095.db2.gz NTEPZCYCOFDLEU-UHFFFAOYSA-N 0 3 348.874 3.579 40 0 EHABHN CCN1CCN(Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216789802 241213524 /nfs/dbraw/zinc/21/35/24/241213524.db2.gz YTHNCFOCOYFNDI-UHFFFAOYSA-N 0 3 339.414 3.771 40 0 EHABHN O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257201857 244122111 /nfs/dbraw/zinc/12/21/11/244122111.db2.gz AJIAFZLLHXNWHY-LJQANCHMSA-N 0 3 327.472 3.531 40 0 EHABHN O=C(c1ccsc1)N1CCC[C@H]1c1ccc(CN2CCCC2)cn1 ZINC000257243327 244250122 /nfs/dbraw/zinc/25/01/22/244250122.db2.gz IGKKHZGROKQHBR-SFHVURJKSA-N 0 3 341.480 3.716 40 0 EHABHN Cc1ncc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)n1C ZINC000257244213 244253334 /nfs/dbraw/zinc/25/33/34/244253334.db2.gz IKJZQXFMFDVYEH-GOSISDBHSA-N 0 3 347.466 3.565 40 0 EHABHN COc1cccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019564781 212043636 /nfs/dbraw/zinc/04/36/36/212043636.db2.gz MENBMEKKXXUJDA-AWEZNQCLSA-N 0 3 341.436 3.796 40 0 EHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000019500294 212033241 /nfs/dbraw/zinc/03/32/41/212033241.db2.gz AOEKYIKBSOFLHI-KRWDZBQOSA-N 0 3 341.499 3.708 40 0 EHABHN CN1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224015 536388442 /nfs/dbraw/zinc/38/84/42/536388442.db2.gz DZXWBBBBKKOZNX-HNNXBMFYSA-N 0 3 329.444 3.550 40 0 EHABHN c1nc2ccccc2n1CCCCN1CCN(c2ccccc2)CC1 ZINC000007498862 563603227 /nfs/dbraw/zinc/60/32/27/563603227.db2.gz HPMRYBYLXYSFEJ-UHFFFAOYSA-N 0 3 334.467 3.639 40 0 EHABHN C[C@@H](CNC(=S)Nc1ccc(F)c(Cl)c1)N1CCC(C)CC1 ZINC000032555863 563913932 /nfs/dbraw/zinc/91/39/32/563913932.db2.gz MTXCBTXXMODSJQ-LBPRGKRZSA-N 0 3 343.899 3.886 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)o1 ZINC000585105532 563971567 /nfs/dbraw/zinc/97/15/67/563971567.db2.gz ZAFDSONAZNVXHE-GOSISDBHSA-N 0 3 333.472 3.776 40 0 EHABHN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)cc1 ZINC000096047610 563978309 /nfs/dbraw/zinc/97/83/09/563978309.db2.gz YKCPKELHLDNUBK-IEBWSBKVSA-N 0 3 344.480 3.602 40 0 EHABHN c1coc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047842 563978338 /nfs/dbraw/zinc/97/83/38/563978338.db2.gz VAQLFXSRGFRUCA-LJQANCHMSA-N 0 3 327.424 3.620 40 0 EHABHN Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@@H](N(C)Cc3ccco3)[C@H]2C1 ZINC000107746093 563984138 /nfs/dbraw/zinc/98/41/38/563984138.db2.gz QBOZYILEXJSWSU-RYQLBKOJSA-N 0 3 342.439 3.554 40 0 EHABHN Nc1nc2nc(C3CCN(Cc4ccsc4)CC3)ccc2s1 ZINC000257321766 564055446 /nfs/dbraw/zinc/05/54/46/564055446.db2.gz WDDRICKVALDWCF-UHFFFAOYSA-N 0 3 330.482 3.715 40 0 EHABHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cccs2)c(OC)c1 ZINC000019552144 564127952 /nfs/dbraw/zinc/12/79/52/564127952.db2.gz WSSSDVNRQADDTO-JKSUJKDBSA-N 0 3 333.453 3.636 40 0 EHABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@]1(O)CCC[C@H](C)C1 ZINC000004683106 210246174 /nfs/dbraw/zinc/24/61/74/210246174.db2.gz PKMGAMIZEJERMX-HFSMHLIXSA-N 0 3 347.499 3.596 40 0 EHABHN Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccc4ccccc43)C2)n1 ZINC000097953413 219063485 /nfs/dbraw/zinc/06/34/85/219063485.db2.gz FGUIPYADIHVPDK-MISYRCLQSA-N 0 3 349.434 3.678 40 0 EHABHN CCN(CC)CCNCc1ccccc1OCc1ccccc1F ZINC000022075307 212276704 /nfs/dbraw/zinc/27/67/04/212276704.db2.gz SLZVBKGYBDDEKW-UHFFFAOYSA-N 0 3 330.447 3.836 40 0 EHABHN CN(C)CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075838 212276656 /nfs/dbraw/zinc/27/66/56/212276656.db2.gz HSKWPVPIBCZFQK-UHFFFAOYSA-N 0 3 336.838 3.709 40 0 EHABHN O=C(c1ccsc1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257199702 244116014 /nfs/dbraw/zinc/11/60/14/244116014.db2.gz AAOARSIQDLZZAE-GOSISDBHSA-N 0 3 341.480 3.716 40 0 EHABHN Cc1ncc2cc(C)nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n12 ZINC000257231649 244215741 /nfs/dbraw/zinc/21/57/41/244215741.db2.gz GHQATKYLVNLTRP-QGZVFWFLSA-N 0 3 338.430 3.865 40 0 EHABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257233094 244220411 /nfs/dbraw/zinc/22/04/11/244220411.db2.gz GNTOTNUBQGUNND-QGZVFWFLSA-N 0 3 333.439 3.555 40 0 EHABHN Cc1ccsc1CN1CCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257234601 244222566 /nfs/dbraw/zinc/22/25/66/244222566.db2.gz GUHVOPZEEQFZNL-MRXNPFEDSA-N 0 3 339.468 3.882 40 0 EHABHN Cc1cccc(Nc2cc(C3CCN(Cc4cnc[nH]4)CC3)ccn2)n1 ZINC000257269372 244370694 /nfs/dbraw/zinc/37/06/94/244370694.db2.gz MPRNOZFIYFXKQY-UHFFFAOYSA-N 0 3 348.454 3.631 40 0 EHABHN Cc1c(CN(C)[C@H](C)Cc2ccccn2)cnn1Cc1ccccc1 ZINC000019554475 212041134 /nfs/dbraw/zinc/04/11/34/212041134.db2.gz DQIMXMSIQOXRLV-QGZVFWFLSA-N 0 3 334.467 3.698 40 0 EHABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1cccs1 ZINC000012186902 211313576 /nfs/dbraw/zinc/31/35/76/211313576.db2.gz PJUJMUJHDUMKQG-UHFFFAOYSA-N 0 3 340.492 3.674 40 0 EHABHN [O-]c1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CC[NH2+]CC1 ZINC000000024923 563211621 /nfs/dbraw/zinc/21/16/21/563211621.db2.gz NDFMTPISBHBIKE-UHFFFAOYSA-N 0 3 326.827 3.725 40 0 in-vitro EHABHN CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000008254077 563624764 /nfs/dbraw/zinc/62/47/64/563624764.db2.gz PYMWYYJFVDUCPG-CQSZACIVSA-N 0 3 349.858 3.788 40 0 EHABHN CCOc1cc(CNC[C@H](C)O)ccc1OCc1ccccc1Cl ZINC000008254706 563625069 /nfs/dbraw/zinc/62/50/69/563625069.db2.gz UJHRLAGRHVXLLJ-AWEZNQCLSA-N 0 3 349.858 3.788 40 0 EHABHN c1csc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000012668888 563667490 /nfs/dbraw/zinc/66/74/90/563667490.db2.gz ANJWJPPLIHUAGQ-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN Cc1ccc(CN2CCC3(CCN(C(=O)c4cccs4)C3)CC2)o1 ZINC000096046558 563978136 /nfs/dbraw/zinc/97/81/36/563978136.db2.gz ZBFQEUPZUQOROY-UHFFFAOYSA-N 0 3 344.480 3.778 40 0 EHABHN Fc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096047579 563978234 /nfs/dbraw/zinc/97/82/34/563978234.db2.gz DCSMHJYMKBDLGL-WMZOPIPTSA-N 0 3 332.444 3.733 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)o1 ZINC000096050864 563978473 /nfs/dbraw/zinc/97/84/73/563978473.db2.gz LQGNXUNGMQBUDQ-GOSISDBHSA-N 0 3 330.453 3.587 40 0 EHABHN CN1C(=O)C2(CCN(Cc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000096100246 563979199 /nfs/dbraw/zinc/97/91/99/563979199.db2.gz DPTIOWHJQXBPJF-LJQANCHMSA-N 0 3 338.426 3.621 40 0 EHABHN c1ccc(CN2CCCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216189 563985489 /nfs/dbraw/zinc/98/54/89/563985489.db2.gz NLAOXOOIVIMAFR-FQEVSTJZSA-N 0 3 337.467 3.645 40 0 EHABHN COc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063098 564016591 /nfs/dbraw/zinc/01/65/91/564016591.db2.gz RSUOIMQLLJNLJL-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000224532031 564043102 /nfs/dbraw/zinc/04/31/02/564043102.db2.gz KACNXQUZBAUFNY-UHFFFAOYSA-N 0 3 328.500 3.904 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000248122768 564053006 /nfs/dbraw/zinc/05/30/06/564053006.db2.gz NMVMOJUPFNJQDD-USXIJHARSA-N 0 3 344.480 3.714 40 0 EHABHN Cc1ncc(-c2cncc(C3CCN(Cc4ccccc4)CC3)n2)n1C ZINC000257293527 564054911 /nfs/dbraw/zinc/05/49/11/564054911.db2.gz QPWULWNVJKYRJD-UHFFFAOYSA-N 0 3 347.466 3.565 40 0 EHABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1ccccn1 ZINC000257334481 564055656 /nfs/dbraw/zinc/05/56/56/564055656.db2.gz YGCAEDSYNMIMNC-SLFFLAALSA-N 0 3 335.451 3.522 40 0 EHABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccco4)C2)C3)cc1 ZINC000306132154 564062181 /nfs/dbraw/zinc/06/21/81/564062181.db2.gz LACJGGGCLAIBRS-HXUWFJFHSA-N 0 3 337.398 3.731 40 0 EHABHN CN(C)CCN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000004626698 210235513 /nfs/dbraw/zinc/23/55/13/210235513.db2.gz QJJXOEFWXSQISU-GOSISDBHSA-N 0 3 326.465 3.818 40 0 in-man EHABHN CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1 ZINC000003995327 210096790 /nfs/dbraw/zinc/09/67/90/210096790.db2.gz LEPBHAAYNPPRRA-WMZHIEFXSA-N 0 3 344.458 3.929 40 0 investigational EHABHN CC[C@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 ZINC000102063708 219183434 /nfs/dbraw/zinc/18/34/34/219183434.db2.gz WBWWKIRERSPQIP-BQJUDKOJSA-N 0 3 341.451 3.867 40 0 EHABHN CC(C)[C@H](N)c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217565257 241259260 /nfs/dbraw/zinc/25/92/60/241259260.db2.gz ZKOOMXQFWQDHEL-AWEZNQCLSA-N 0 3 336.226 3.754 40 0 EHABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 ZINC000257285312 244419312 /nfs/dbraw/zinc/41/93/12/244419312.db2.gz PGODJCBXVULLFD-OAHLLOKOSA-N 0 3 334.423 3.543 40 0 EHABHN Cc1ncc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719810 212056678 /nfs/dbraw/zinc/05/66/78/212056678.db2.gz FFODLXNFERIEFX-CQSZACIVSA-N 0 3 326.469 3.783 40 0 EHABHN Cc1[nH]c2cc(C)ccc2c1CN1CCC(Oc2cnccn2)CC1 ZINC000019658943 212054439 /nfs/dbraw/zinc/05/44/39/212054439.db2.gz OOEIBPHTWXZHRJ-UHFFFAOYSA-N 0 3 336.439 3.618 40 0 EHABHN Cc1c2ccccc2oc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043877 /nfs/dbraw/zinc/04/38/77/212043877.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 0 3 342.483 3.815 40 0 EHABHN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019286854 212010754 /nfs/dbraw/zinc/01/07/54/212010754.db2.gz ZWKXNIDOKPRLEP-LJQANCHMSA-N 0 3 345.450 3.622 40 0 EHABHN CC1CCC(NCc2nnc(SCc3ccccc3)n2C)CC1 ZINC000005001696 210357379 /nfs/dbraw/zinc/35/73/79/210357379.db2.gz IVZPEZSVYGBJII-UHFFFAOYSA-N 0 3 330.501 3.776 40 0 EHABHN CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 ZINC000004887999 210313638 /nfs/dbraw/zinc/31/36/38/210313638.db2.gz VBJWHJQAUFGRIO-YQQQUEKLSA-N 0 3 345.556 3.755 40 0 EHABHN Cc1ccc(Oc2ccc(C(=O)C(CN(C)C)CN(C)C)cc2)cc1 ZINC000001607909 563396098 /nfs/dbraw/zinc/39/60/98/563396098.db2.gz RKXXAJGWFQQHRH-UHFFFAOYSA-N 0 3 340.467 3.709 40 0 EHABHN CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000008254079 563624754 /nfs/dbraw/zinc/62/47/54/563624754.db2.gz PYMWYYJFVDUCPG-AWEZNQCLSA-N 0 3 349.858 3.788 40 0 EHABHN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012291604 563657164 /nfs/dbraw/zinc/65/71/64/563657164.db2.gz KKYWGPWHWILZMQ-IBGZPJMESA-N 0 3 344.499 3.531 40 0 EHABHN O=C(CC(c1ccccc1)c1ccccc1)NCCN1CCCCC1 ZINC000013717062 563715698 /nfs/dbraw/zinc/71/56/98/563715698.db2.gz LEDVFEWXGDXTIN-UHFFFAOYSA-N 0 3 336.479 3.811 40 0 EHABHN Cc1ccccc1CN1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585104742 563971602 /nfs/dbraw/zinc/97/16/02/563971602.db2.gz LVAHIJSCMVEIIF-LJQANCHMSA-N 0 3 340.492 3.667 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)o1 ZINC000096047015 563978177 /nfs/dbraw/zinc/97/81/77/563978177.db2.gz YUABDOATDQDXNZ-LJQANCHMSA-N 0 3 344.480 3.778 40 0 EHABHN Fc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)c1 ZINC000096047585 563978231 /nfs/dbraw/zinc/97/82/31/563978231.db2.gz PWGBGNBWEKZWBV-ZWKOTPCHSA-N 0 3 332.444 3.733 40 0 EHABHN O=C(c1cccs1)N1CCC2(CCN(Cc3ccco3)CC2)CC1 ZINC000096047293 563978275 /nfs/dbraw/zinc/97/82/75/563978275.db2.gz ZZQNMPOICCKGRC-UHFFFAOYSA-N 0 3 344.480 3.860 40 0 EHABHN Fc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)c1 ZINC000096047584 563978306 /nfs/dbraw/zinc/97/83/06/563978306.db2.gz PWGBGNBWEKZWBV-QZTJIDSGSA-N 0 3 332.444 3.733 40 0 EHABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccsc1)CC2 ZINC000096049269 563978423 /nfs/dbraw/zinc/97/84/23/563978423.db2.gz AWSCIBGKXCVZEG-UHFFFAOYSA-N 0 3 334.529 3.999 40 0 EHABHN Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H](N(C)Cc3ccco3)[C@@H]2C1 ZINC000096054578 563978712 /nfs/dbraw/zinc/97/87/12/563978712.db2.gz QBOZYILEXJSWSU-JQHSSLGASA-N 0 3 342.439 3.554 40 0 EHABHN CC(C)N1CCC2(CC1)c1cc(F)ccc1N(c1cccnc1)C2=O ZINC000096261739 563980669 /nfs/dbraw/zinc/98/06/69/563980669.db2.gz AYGGTTTZYGIRST-UHFFFAOYSA-N 0 3 339.414 3.641 40 0 EHABHN Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)cc1 ZINC000049169434 564032515 /nfs/dbraw/zinc/03/25/15/564032515.db2.gz MEIFUJODEYLJJL-AWEZNQCLSA-N 0 3 340.814 3.775 40 0 biogenic,in-vitro EHABHN CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225650194 564048995 /nfs/dbraw/zinc/04/89/95/564048995.db2.gz JQAFXIPRPGLKAD-HXUWFJFHSA-N 0 3 348.487 3.695 40 0 EHABHN CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257332566 564055602 /nfs/dbraw/zinc/05/56/02/564055602.db2.gz XXWPFDNHXZXDIV-NRFANRHFSA-N 0 3 348.450 3.536 40 0 EHABHN c1ccc(CN2CC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000257344971 564055837 /nfs/dbraw/zinc/05/58/37/564055837.db2.gz ZZKUKARTKAWLBB-KRWDZBQOSA-N 0 3 331.423 3.605 40 0 EHABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000044912761 564128525 /nfs/dbraw/zinc/12/85/25/564128525.db2.gz BAKGSSKRDQSLGS-XLIONFOSSA-N 0 3 334.463 3.876 40 0 EHABHN Cc1ccc([C@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000095534144 564141681 /nfs/dbraw/zinc/14/16/81/564141681.db2.gz KUVOMYYWRGIBDW-AWEZNQCLSA-N 0 3 332.329 3.847 40 0 EHABHN Oc1ccc2nc(CN3CCC(Cc4ccccc4F)CC3)[nH]c2c1 ZINC000003820049 210076652 /nfs/dbraw/zinc/07/66/52/210076652.db2.gz RJZREMJRJAYQCL-UHFFFAOYSA-N 0 3 339.414 3.862 40 0 in-vitro EHABHN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038834270 213228328 /nfs/dbraw/zinc/22/83/28/213228328.db2.gz QGKRTJXLBHSKIU-GOSISDBHSA-N 0 3 338.451 3.936 40 0 EHABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000038832854 213226244 /nfs/dbraw/zinc/22/62/44/213226244.db2.gz TZJGCXIBJFIDOF-APWZRJJASA-N 0 3 340.442 3.915 40 0 EHABHN Cc1cccc(OCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369847 216177271 /nfs/dbraw/zinc/17/72/71/216177271.db2.gz GFKKZBDNNMBLLK-SFHVURJKSA-N 0 3 349.434 3.913 40 0 EHABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257244550 244254020 /nfs/dbraw/zinc/25/40/20/244254020.db2.gz ILVUBTFQUBRPOZ-QGZVFWFLSA-N 0 3 347.466 3.630 40 0 EHABHN Fc1ccccc1C[C@H]1CC2(CO1)CCN(Cc1ccccn1)CC2 ZINC000257240588 244241553 /nfs/dbraw/zinc/24/15/53/244241553.db2.gz HUFUIHWUHBTZEW-IBGZPJMESA-N 0 3 340.442 3.835 40 0 EHABHN Cc1ccc(NC(=O)CNCC2CCCCC2)cc1Br ZINC000005000517 210355857 /nfs/dbraw/zinc/35/58/57/210355857.db2.gz PBWULZGTNNSFJX-UHFFFAOYSA-N 0 3 339.277 3.866 40 0 EHABHN Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1 ZINC000004886628 210311319 /nfs/dbraw/zinc/31/13/19/210311319.db2.gz KUTRLXFVIKQQFP-ZXFUBFMLSA-N 0 3 333.476 3.660 40 0 EHABHN CCN(CC)CCOC(=O)[C@H]1CCCC[C@@H]1C(=O)C1CCCCC1 ZINC000006382268 563566550 /nfs/dbraw/zinc/56/65/50/563566550.db2.gz GCSXQKJRCSGYPB-ROUUACIJSA-N 0 3 337.504 3.827 40 0 EHABHN CC1(C)CCCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000039758291 563901120 /nfs/dbraw/zinc/90/11/20/563901120.db2.gz UPRQVBZMEYBVTR-UHFFFAOYSA-N 0 3 332.463 3.686 40 0 EHABHN CC1(C)[C@H](OC[C@H](O)CN2CCc3ccccc3C2)[C@]2(C)CC[C@H]1C2 ZINC000253479428 563950263 /nfs/dbraw/zinc/95/02/63/563950263.db2.gz QJAWMQQAZFJDAY-CUXKYVRBSA-N 0 3 343.511 3.637 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)co1 ZINC000585105538 563971604 /nfs/dbraw/zinc/97/16/04/563971604.db2.gz ZBGWMEZYSKRZBI-GOSISDBHSA-N 0 3 342.439 3.515 40 0 EHABHN COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000096047604 563978284 /nfs/dbraw/zinc/97/82/84/563978284.db2.gz AYISQKGCRWQKOS-APWZRJJASA-N 0 3 344.480 3.602 40 0 EHABHN O=C1C[C@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077945 563979093 /nfs/dbraw/zinc/97/90/93/563979093.db2.gz XGTRKMPODUOQGY-FQEVSTJZSA-N 0 3 342.389 3.594 40 0 EHABHN CN1C[C@@H](c2ccccc2)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096100281 563979179 /nfs/dbraw/zinc/97/91/79/563979179.db2.gz LUUARNPEMWZOJU-SFHVURJKSA-N 0 3 340.492 3.586 40 0 EHABHN CN1C(=O)C2(CCN(Cc3ccsc3)CC2)[C@H]1c1ccccc1 ZINC000096100238 563979181 /nfs/dbraw/zinc/97/91/81/563979181.db2.gz RXIVFJVJCTVEID-QGZVFWFLSA-N 0 3 326.465 3.544 40 0 EHABHN Cc1cccc(CN2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)n1 ZINC000096159363 563979814 /nfs/dbraw/zinc/97/98/14/563979814.db2.gz NGKUWFHQHCDJCX-UHFFFAOYSA-N 0 3 343.515 3.641 40 0 EHABHN FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239612 563980510 /nfs/dbraw/zinc/98/05/10/563980510.db2.gz KILZBJZKKXKMGR-KRWDZBQOSA-N 0 3 349.450 3.881 40 0 EHABHN O=C(c1ccc(F)c2ccccc12)N1C[C@@H]2NCc3ccccc3[C@@H]2C1 ZINC000096268296 563980677 /nfs/dbraw/zinc/98/06/77/563980677.db2.gz UAMSDRHIZHOUHC-FPOVZHCZSA-N 0 3 346.405 3.690 40 0 EHABHN COc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000009063097 564016570 /nfs/dbraw/zinc/01/65/70/564016570.db2.gz MHWNCGMJOWMYFB-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN COc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063565 564016605 /nfs/dbraw/zinc/01/66/05/564016605.db2.gz PNZNAJCDHMIWJO-UHFFFAOYSA-N 0 3 342.414 3.685 40 0 EHABHN COc1ccccc1/C=C/CN1CC[C@H]2[C@H]1CCCCCN2C(C)=O ZINC000019712492 564023802 /nfs/dbraw/zinc/02/38/02/564023802.db2.gz RRIMTOHQIXFGAR-XHNDXGPJSA-N 0 3 342.483 3.574 40 0 EHABHN Clc1cccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169553 564032616 /nfs/dbraw/zinc/03/26/16/564032616.db2.gz POEKIZVHLBELHN-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 biogenic,in-vitro EHABHN CCCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCC1 ZINC000225656886 564049068 /nfs/dbraw/zinc/04/90/68/564049068.db2.gz NHICDFFYOGAAJV-UHFFFAOYSA-N 0 3 348.487 3.695 40 0 EHABHN Cc1cccnc1CN1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257309201 564055242 /nfs/dbraw/zinc/05/52/42/564055242.db2.gz TZYDYVHYPAMEJR-IBGZPJMESA-N 0 3 347.462 3.629 40 0 EHABHN CN1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257341729 564055761 /nfs/dbraw/zinc/05/57/61/564055761.db2.gz ZLSUUWFUZRLLRC-SLFFLAALSA-N 0 3 335.451 3.522 40 0 EHABHN Fc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047595 564128660 /nfs/dbraw/zinc/12/86/60/564128660.db2.gz XWDSOENHFAHJIU-PMACEKPBSA-N 0 3 344.405 3.810 40 0 EHABHN COc1ccc(OC)c([C@H]2CCCN2C[C@H](O)c2ccccc2)c1 ZINC000034892185 564177522 /nfs/dbraw/zinc/17/75/22/564177522.db2.gz ZGSJHDUHKWWBFB-MOPGFXCFSA-N 0 3 327.424 3.574 40 0 EHABHN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848775 213228848 /nfs/dbraw/zinc/22/88/48/213228848.db2.gz IJUYIHBUOMJUHO-LJQANCHMSA-N 0 3 340.442 3.663 40 0 EHABHN Cc1cc(C)nc([C@@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 ZINC000072369807 216178001 /nfs/dbraw/zinc/17/80/01/216178001.db2.gz GSCWYGIMEOJJDD-LJQANCHMSA-N 0 3 336.483 3.683 40 0 EHABHN Fc1ccccc1Oc1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072384256 216185100 /nfs/dbraw/zinc/18/51/00/216185100.db2.gz CCXLQJJRTGPSFC-KRWDZBQOSA-N 0 3 343.402 3.724 40 0 EHABHN Fc1cccc(CN2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390041 216189053 /nfs/dbraw/zinc/18/90/53/216189053.db2.gz DAYQMPUIGDLJPF-OAHLLOKOSA-N 0 3 338.386 3.650 40 0 EHABHN Clc1ccccc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389904 216189198 /nfs/dbraw/zinc/18/91/98/216189198.db2.gz NGRLZXIDHICJDA-OAHLLOKOSA-N 0 3 340.814 3.775 40 0 EHABHN Fc1ccc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389974 216189447 /nfs/dbraw/zinc/18/94/47/216189447.db2.gz JMEPCOKGZJETAP-INIZCTEOSA-N 0 3 338.386 3.650 40 0 EHABHN Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cccs3)C2)on1 ZINC000072396690 216193000 /nfs/dbraw/zinc/19/30/00/216193000.db2.gz ZMXARGNXLWMILA-GFCCVEGCSA-N 0 3 346.481 3.943 40 0 EHABHN C[C@H](N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257554 216370647 /nfs/dbraw/zinc/37/06/47/216370647.db2.gz QPOBRHWTGGAIQD-PARXFBHLSA-N 0 3 326.484 3.798 40 0 EHABHN Clc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)c(Cl)c1 ZINC000217556113 241259801 /nfs/dbraw/zinc/25/98/01/241259801.db2.gz LNSQQZBGOXCKLA-CYBMUJFWSA-N 0 3 334.210 3.523 40 0 EHABHN Cc1ncc(-c2cccc(C3CCN(Cc4cccnc4)CC3)n2)n1C ZINC000257203995 244125750 /nfs/dbraw/zinc/12/57/50/244125750.db2.gz ASNYVMDSTQALKC-UHFFFAOYSA-N 0 3 347.466 3.565 40 0 EHABHN Cc1cc(Nc2ccccn2)cc(C2CCN(c3ncccn3)CC2)n1 ZINC000257246404 244257883 /nfs/dbraw/zinc/25/78/83/244257883.db2.gz ITZOGDWTMWMMSA-UHFFFAOYSA-N 0 3 346.438 3.703 40 0 EHABHN Cc1cc(C)n(C2CCN(Cc3c(C)nc4c(C)cccn34)CC2)n1 ZINC000019658978 212054865 /nfs/dbraw/zinc/05/48/65/212054865.db2.gz WHFOLLIBEPNJPT-UHFFFAOYSA-N 0 3 337.471 3.602 40 0 EHABHN COc1cccc(CN2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)c1 ZINC000019564943 212044506 /nfs/dbraw/zinc/04/45/06/212044506.db2.gz 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/nfs/dbraw/zinc/11/64/61/219116461.db2.gz BQVOKFAZPLBWCA-QMMLZNLJSA-N 0 3 347.499 3.787 40 0 EHABHN C[C@@H](N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257555 216370520 /nfs/dbraw/zinc/37/05/20/216370520.db2.gz QPOBRHWTGGAIQD-ZBGXTSEQSA-N 0 3 326.484 3.798 40 0 EHABHN COc1ccc(Cl)cc1CNCCc1ccc(OC)c(OC)c1 ZINC000022076426 212276678 /nfs/dbraw/zinc/27/66/78/212276678.db2.gz BXERKMUYAPUJCL-UHFFFAOYSA-N 0 3 335.831 3.698 40 0 EHABHN O=C(C1CCCC1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257201856 244120293 /nfs/dbraw/zinc/12/02/93/244120293.db2.gz AJIAFZLLHXNWHY-IBGZPJMESA-N 0 3 327.472 3.531 40 0 EHABHN CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2Cc1ccccn1 ZINC000257244151 244253926 /nfs/dbraw/zinc/25/39/26/244253926.db2.gz IKDDRKHXKKQZON-FDFHNCONSA-N 0 3 349.478 3.798 40 0 EHABHN Fc1ccccc1CN1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019348840 212019426 /nfs/dbraw/zinc/01/94/26/212019426.db2.gz OABYAYOXLKKKQK-ZDUSSCGKSA-N 0 3 329.400 3.927 40 0 EHABHN OC1(c2ccc(F)cc2)CCN(Cc2ccc3ncccc3c2)CC1 ZINC000012363562 211356086 /nfs/dbraw/zinc/35/60/86/211356086.db2.gz YYQQNGMRTHCOOW-UHFFFAOYSA-N 0 3 336.410 3.858 40 0 EHABHN C[C@H](NC[C@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434689 211172303 /nfs/dbraw/zinc/17/23/03/211172303.db2.gz ZVPLSJPATOUUND-UJFHANGKSA-N 0 3 329.484 3.684 40 0 EHABHN CCOCCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000008253206 563624359 /nfs/dbraw/zinc/62/43/59/563624359.db2.gz HBJVTODRBQHBJL-UHFFFAOYSA-N 0 3 329.440 3.790 40 0 EHABHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326395 563626938 /nfs/dbraw/zinc/62/69/38/563626938.db2.gz KXTZJQLMZASCQK-INIZCTEOSA-N 0 3 349.858 3.788 40 0 EHABHN CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3ccsc3)C2)C1=O ZINC000096100299 563979167 /nfs/dbraw/zinc/97/91/67/563979167.db2.gz FUJSMPLGYNDQRG-FQEVSTJZSA-N 0 3 340.492 3.894 40 0 EHABHN Cc1cc(C)c([C@@H]2SC(=N)N[C@H]2[C@@H](O)c2ccccc2)c(C)c1 ZINC000015634585 564024289 /nfs/dbraw/zinc/02/42/89/564024289.db2.gz GUUSIDHEGVWPIO-BZSNNMDCSA-N 0 3 326.465 3.817 40 0 EHABHN C[NH+](C)Cc1ccc(CNC(=O)c2cc(C(C)(C)C)ccc2[O-])cc1 ZINC000257316462 564055345 /nfs/dbraw/zinc/05/53/45/564055345.db2.gz VFRSZJDOKTVUOM-UHFFFAOYSA-N 0 3 340.467 3.681 40 0 EHABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccccn4)C2)C3)cc1 ZINC000306140560 564062352 /nfs/dbraw/zinc/06/23/52/564062352.db2.gz UXFOWMYEUAUGSF-OAQYLSRUSA-N 0 3 348.425 3.533 40 0 EHABHN C[C@@H](CCCN1CCOCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000001712473 564130242 /nfs/dbraw/zinc/13/02/42/564130242.db2.gz JMIGWKCOYPUJEP-AWEZNQCLSA-N 0 3 333.863 3.801 40 0 EHABHN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000004019142 210101984 /nfs/dbraw/zinc/10/19/84/210101984.db2.gz OTTUUPAQKHWADJ-KVJIRVJXSA-N 0 3 345.527 3.883 40 0 EHABHN COc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)cc4)C3)nc2c1 ZINC000035446760 213028733 /nfs/dbraw/zinc/02/87/33/213028733.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 0 3 325.387 3.700 40 0 biogenic,in-vitro EHABHN Fc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccncc3)o2)C1 ZINC000072389946 216188938 /nfs/dbraw/zinc/18/89/38/216188938.db2.gz DSOYQMFWYPKGQE-MRXNPFEDSA-N 0 3 338.386 3.650 40 0 EHABHN COc1cc(CNCCN(C)C)ccc1OCc1cccc(Cl)c1 ZINC000022074924 212277065 /nfs/dbraw/zinc/27/70/65/212277065.db2.gz YJKDZAPPMZTYAM-UHFFFAOYSA-N 0 3 348.874 3.579 40 0 EHABHN CCN1CCN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216840449 241213718 /nfs/dbraw/zinc/21/37/18/241213718.db2.gz GWUWNUNBEHJCHF-UHFFFAOYSA-N 0 3 339.414 3.771 40 0 EHABHN Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3cnc[nH]3)C2)ccn1 ZINC000257275681 244391855 /nfs/dbraw/zinc/39/18/55/244391855.db2.gz NQLOCIRZCJTFQW-KRWDZBQOSA-N 0 3 348.454 3.631 40 0 EHABHN c1cc2nccc(C3CCN(Cc4ccnc5ccccc45)CC3)n2n1 ZINC000257296252 244449976 /nfs/dbraw/zinc/44/99/76/244449976.db2.gz RBXGKJVGMZHBOS-UHFFFAOYSA-N 0 3 343.434 3.657 40 0 EHABHN CCOc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019533210 212039670 /nfs/dbraw/zinc/03/96/70/212039670.db2.gz LFBDXXMXSWQYQS-UHFFFAOYSA-N 0 3 336.439 3.736 40 0 EHABHN Fc1cccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019293789 212013464 /nfs/dbraw/zinc/01/34/64/212013464.db2.gz HSTIACCKKDHAAS-ZDUSSCGKSA-N 0 3 329.400 3.927 40 0 EHABHN c1ccc(CC2CCN(Cc3ccnc(-c4ccncc4)n3)CC2)cc1 ZINC000012252119 211330533 /nfs/dbraw/zinc/33/05/33/211330533.db2.gz IQFIDITUARHFOQ-UHFFFAOYSA-N 0 3 344.462 3.993 40 0 EHABHN O=C1NCCCC12CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012227891 211325233 /nfs/dbraw/zinc/32/52/33/211325233.db2.gz VEUDWHAGQQVXBQ-UHFFFAOYSA-N 0 3 334.463 3.846 40 0 EHABHN CCn1c(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)nc2ccccc21 ZINC000012128401 211299770 /nfs/dbraw/zinc/29/97/70/211299770.db2.gz CTRGZHFZICDFAY-DOTOQJQBSA-N 0 3 338.455 3.854 40 0 EHABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593605 563395088 /nfs/dbraw/zinc/39/50/88/563395088.db2.gz XPKGNQQIWJCGHZ-UXHICEINSA-N 0 3 347.499 3.596 40 0 EHABHN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4CC(C)C)C3)CC2)cc1 ZINC000585102393 563971506 /nfs/dbraw/zinc/97/15/06/563971506.db2.gz ZEGWHMCVKPYCBD-OAQYLSRUSA-N 0 3 340.511 3.750 40 0 EHABHN c1coc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)c1 ZINC000585105329 563971551 /nfs/dbraw/zinc/97/15/51/563971551.db2.gz UCSSRXXCEXERSO-QGZVFWFLSA-N 0 3 342.439 3.515 40 0 EHABHN Cc1nc([C@H]2C[C@H]3CN(Cc4cccnc4)CC[C@@H]3O2)sc1C ZINC000096045997 563977963 /nfs/dbraw/zinc/97/79/63/563977963.db2.gz BMZOORIZFKSTAQ-YESZJQIVSA-N 0 3 329.469 3.507 40 0 EHABHN COc1ccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000096047605 563978273 /nfs/dbraw/zinc/97/82/73/563978273.db2.gz AYISQKGCRWQKOS-LPHOPBHVSA-N 0 3 344.480 3.602 40 0 EHABHN O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050711 563978490 /nfs/dbraw/zinc/97/84/90/563978490.db2.gz UOOZOFXDBYSZMD-SFHVURJKSA-N 0 3 330.428 3.516 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051594 563978660 /nfs/dbraw/zinc/97/86/60/563978660.db2.gz LJQCLSCYKBBEBX-QGZVFWFLSA-N 0 3 344.480 3.858 40 0 EHABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)cc1 ZINC000585289189 563981978 /nfs/dbraw/zinc/98/19/78/563981978.db2.gz NOEMCPWHSOISKM-PWRODBHTSA-N 0 3 325.452 3.754 40 0 EHABHN c1coc(CN2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132141 564062188 /nfs/dbraw/zinc/06/21/88/564062188.db2.gz KZZSDZCQYUTEDL-SFHVURJKSA-N 0 3 325.437 3.752 40 0 EHABHN CCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C)n1 ZINC000328964324 564070978 /nfs/dbraw/zinc/07/09/78/564070978.db2.gz BURAJRMQUBHYOY-UHFFFAOYSA-N 0 3 347.260 3.542 40 0 EHABHN CC(C)c1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000006365140 564112340 /nfs/dbraw/zinc/11/23/40/564112340.db2.gz ZEFIOGRPHXWQOO-HXUWFJFHSA-N 0 3 325.452 3.608 40 0 EHABHN COc1cccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000095533598 564141635 /nfs/dbraw/zinc/14/16/35/564141635.db2.gz MBGLCINNZVUAMG-QGZVFWFLSA-N 0 3 336.439 3.826 40 0 EHABHN CC(C)(C)OC(=O)N1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000067802674 215214750 /nfs/dbraw/zinc/21/47/50/215214750.db2.gz IAOUAYHGTNQDBC-UHFFFAOYSA-N 0 3 342.842 3.968 40 0 EHABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834240 213227587 /nfs/dbraw/zinc/22/75/87/213227587.db2.gz HQBKRURKZWDYEG-INIZCTEOSA-N 0 3 342.414 3.685 40 0 EHABHN Cc1cc(C)nc([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000072369725 216177626 /nfs/dbraw/zinc/17/76/26/216177626.db2.gz SVLBJZFHIPMQFX-CQSZACIVSA-N 0 3 339.468 3.535 40 0 EHABHN Fc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225742991 242014070 /nfs/dbraw/zinc/01/40/70/242014070.db2.gz NFBYDUXYYXPONB-UHFFFAOYSA-N 0 3 343.471 3.561 40 0 EHABHN CC(=O)NCc1cccc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257226422 244200917 /nfs/dbraw/zinc/20/09/17/244200917.db2.gz FKOJTRHYOZDDPE-OAQYLSRUSA-N 0 3 348.450 3.536 40 0 EHABHN O=c1cc([C@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1 ZINC000019372031 212022639 /nfs/dbraw/zinc/02/26/39/212022639.db2.gz ARGQKDOQZUJYHH-LJQANCHMSA-N 0 3 346.434 3.559 40 0 EHABHN Cc1cc(C)c([C@@H]2SC(=N)N[C@@H]2[C@@H](O)c2ccccc2)c(C)c1 ZINC000015634580 518186883 /nfs/dbraw/zinc/18/68/83/518186883.db2.gz GUUSIDHEGVWPIO-SQNIBIBYSA-N 0 3 326.465 3.817 40 0 EHABHN CN1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102331 563971538 /nfs/dbraw/zinc/97/15/38/563971538.db2.gz XEBIHTVEMVHUAG-NRFANRHFSA-N 0 3 336.435 3.789 40 0 EHABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096048737 563978324 /nfs/dbraw/zinc/97/83/24/563978324.db2.gz RQYGAIHPDANFEQ-QGZVFWFLSA-N 0 3 332.494 3.829 40 0 EHABHN Cc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096055149 563978717 /nfs/dbraw/zinc/97/87/17/563978717.db2.gz MYTKXKSDQRWZNI-SJLPKXTDSA-N 0 3 346.471 3.533 40 0 EHABHN CC(C)CN1c2ccccc2[C@]2(CCN(Cc3ccsc3)C2)C1=O ZINC000096100298 563979211 /nfs/dbraw/zinc/97/92/11/563979211.db2.gz FUJSMPLGYNDQRG-HXUWFJFHSA-N 0 3 340.492 3.894 40 0 EHABHN O=C(NCC1CCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553910 564043131 /nfs/dbraw/zinc/04/31/31/564043131.db2.gz XFQKYQKTZHBCFJ-UHFFFAOYSA-N 0 3 332.463 3.734 40 0 EHABHN CC1CC[NH+](CCc2ccc3c(Br)ccc([O-])c3n2)CC1 ZINC000059474710 564050779 /nfs/dbraw/zinc/05/07/79/564050779.db2.gz MDTURXOOLRXMCW-UHFFFAOYSA-N 0 3 349.272 3.977 40 0 EHABHN Cc1nc(Nc2cc(C)nc([C@H]3CCN(C(C)C)C3)n2)sc1C ZINC000257291897 564054871 /nfs/dbraw/zinc/05/48/71/564054871.db2.gz QJCUMXDOAOCGCL-AWEZNQCLSA-N 0 3 331.489 3.800 40 0 EHABHN c1cc2nccc(C3CCN(Cc4ccc5ccccc5n4)CC3)n2n1 ZINC000257302212 564055105 /nfs/dbraw/zinc/05/51/05/564055105.db2.gz SBZCOUDVFGVRAL-UHFFFAOYSA-N 0 3 343.434 3.657 40 0 EHABHN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccoc4)C2)C3)cc1 ZINC000306131212 564062176 /nfs/dbraw/zinc/06/21/76/564062176.db2.gz JYRBGMJZPPQNRI-HXUWFJFHSA-N 0 3 337.398 3.731 40 0 EHABHN O=C(OCc1ccccc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000575447509 564079778 /nfs/dbraw/zinc/07/97/78/564079778.db2.gz AUGRQMMVNGVQLT-VQTJNVASSA-N 0 3 336.435 3.530 40 0 EHABHN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000006364113 564112325 /nfs/dbraw/zinc/11/23/25/564112325.db2.gz HSGATDKPAYOOJN-IBGZPJMESA-N 0 3 339.479 3.782 40 0 EHABHN CCCc1cc(OC)c(CCNCc2ccccc2OC)cc1OC ZINC000299817276 564150840 /nfs/dbraw/zinc/15/08/40/564150840.db2.gz QHEBYIJRKGDFGH-UHFFFAOYSA-N 0 3 343.467 3.997 40 0 in-vitro EHABHN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCCN3CCCCC3)nnc12 ZINC000004535728 210214528 /nfs/dbraw/zinc/21/45/28/210214528.db2.gz BLTVOQXKMCVBHF-ACJLOTCBSA-N 0 3 332.517 3.625 40 0 EHABHN CC[C@@H]1[C@@H](O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 ZINC000004133167 210128757 /nfs/dbraw/zinc/12/87/57/210128757.db2.gz WBWWKIRERSPQIP-MXEMCNAFSA-N 0 3 341.451 3.867 40 0 EHABHN C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCCN[C@H]5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000104389287 219383156 /nfs/dbraw/zinc/38/31/56/219383156.db2.gz VTUJCRYRYIZIRS-JHBSVXGLSA-N 0 3 344.543 3.889 40 0 EHABHN C[C@H](N[C@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 ZINC000073257556 216370206 /nfs/dbraw/zinc/37/02/06/216370206.db2.gz QPOBRHWTGGAIQD-JXBCHCHZSA-N 0 3 326.484 3.798 40 0 EHABHN C[C@H]1Cc2cc(CN(CCN(C)C)Cc3cccs3)ccc2O1 ZINC000023247882 212362851 /nfs/dbraw/zinc/36/28/51/212362851.db2.gz RPBRCTPCPSCORE-HNNXBMFYSA-N 0 3 330.497 3.635 40 0 EHABHN CCO[C@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 ZINC000225714452 242000767 /nfs/dbraw/zinc/00/07/67/242000767.db2.gz LFLBFALXLKGSKE-OXQOHEQNSA-N 0 3 348.487 3.551 40 0 EHABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012292230 211335633 /nfs/dbraw/zinc/33/56/33/211335633.db2.gz INWXRHLFMUADII-NRFANRHFSA-N 0 3 339.479 3.629 40 0 EHABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292450 211335192 /nfs/dbraw/zinc/33/51/92/211335192.db2.gz ZRRPVURWJGIBTN-IBGZPJMESA-N 0 3 345.870 3.665 40 0 EHABHN OCCN(Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012256340 211329452 /nfs/dbraw/zinc/32/94/52/211329452.db2.gz BCNISANEMRBXHG-UHFFFAOYSA-N 0 3 347.418 3.817 40 0 EHABHN C[C@@H](NC[C@H](O)COC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010434692 211173431 /nfs/dbraw/zinc/17/34/31/211173431.db2.gz ZVPLSJPATOUUND-ZOHWMCIKSA-N 0 3 329.484 3.684 40 0 EHABHN COc1c2c(cc3c1[C@@H](CCCc1ccccc1)N(C)CC3)OCO2 ZINC000004916811 210322906 /nfs/dbraw/zinc/32/29/06/210322906.db2.gz NGWNBLVYNIGAGH-QGZVFWFLSA-N 0 3 339.435 3.976 40 0 EHABHN COc1cccc(CNC(C)(C)CO)c1OCc1ccccc1Cl ZINC000006883182 563590652 /nfs/dbraw/zinc/59/06/52/563590652.db2.gz RLAFGYKYTAIHIR-UHFFFAOYSA-N 0 3 349.858 3.788 40 0 EHABHN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCN1CCCCCC1 ZINC000013708773 563713689 /nfs/dbraw/zinc/71/36/89/563713689.db2.gz DVGLDCJZBXYOPX-KRWDZBQOSA-N 0 3 340.467 3.599 40 0 EHABHN CC(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019019463 563853193 /nfs/dbraw/zinc/85/31/93/563853193.db2.gz GCCMDUJEAWVBPZ-KZNAEPCWSA-N 0 3 346.521 3.646 40 0 EHABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000030946914 563911889 /nfs/dbraw/zinc/91/18/89/563911889.db2.gz CNZHTOQFNDCQJH-GOSISDBHSA-N 0 3 338.426 3.627 40 0 EHABHN Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4CC(C)C)C3)CC2)cc1 ZINC000585102390 563971524 /nfs/dbraw/zinc/97/15/24/563971524.db2.gz ZEGWHMCVKPYCBD-NRFANRHFSA-N 0 3 340.511 3.750 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)o1 ZINC000096047215 563978166 /nfs/dbraw/zinc/97/81/66/563978166.db2.gz WETAPWLGHRFZOU-UHFFFAOYSA-N 0 3 345.512 3.923 40 0 EHABHN Fc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096047578 563978228 /nfs/dbraw/zinc/97/82/28/563978228.db2.gz DCSMHJYMKBDLGL-AEFFLSMTSA-N 0 3 332.444 3.733 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048250 563978378 /nfs/dbraw/zinc/97/83/78/563978378.db2.gz DPHIXUKXHVKHPN-HKUYNNGSSA-N 0 3 344.480 3.654 40 0 EHABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048003 563978385 /nfs/dbraw/zinc/97/83/85/563978385.db2.gz MIBLPZQLZIPZTQ-KRWDZBQOSA-N 0 3 346.496 3.597 40 0 EHABHN Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccncc2)CC3)c1 ZINC000096049442 563978434 /nfs/dbraw/zinc/97/84/34/563978434.db2.gz UUWXJKZDOJXDRG-UHFFFAOYSA-N 0 3 349.478 3.547 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215897 563980267 /nfs/dbraw/zinc/98/02/67/563980267.db2.gz UNBBRCMDZTUPTF-LJQANCHMSA-N 0 3 344.480 3.778 40 0 EHABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccccc1 ZINC000585289212 563981966 /nfs/dbraw/zinc/98/19/66/563981966.db2.gz OBUNYRKYGFKWEC-IPMKNSEASA-N 0 3 331.843 3.791 40 0 EHABHN Fc1ccc(CN2CCC3(CO[C@@H](Cc4cccnc4)C3)CC2)cc1 ZINC000257315427 564055311 /nfs/dbraw/zinc/05/53/11/564055311.db2.gz VBHVPDDYHNSZOS-FQEVSTJZSA-N 0 3 340.442 3.835 40 0 EHABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257316488 564055333 /nfs/dbraw/zinc/05/53/33/564055333.db2.gz VFVOXXXNWQSWQP-GOSISDBHSA-N 0 3 333.439 3.555 40 0 EHABHN CC(C)(C)OC(=O)N1CCC(NCc2nsc3ccccc23)CC1 ZINC000098181660 219087637 /nfs/dbraw/zinc/08/76/37/219087637.db2.gz KNWGSWWNEKHUBE-UHFFFAOYSA-N 0 3 347.484 3.785 40 0 EHABHN COc1ccc(-c2cc(CC3(NC4CCCCC4)COC3)no2)cc1 ZINC000067898345 215246130 /nfs/dbraw/zinc/24/61/30/215246130.db2.gz VXOCXGGTOBJZBW-UHFFFAOYSA-N 0 3 342.439 3.584 40 0 biogenic,in-vitro EHABHN C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCCN[C@@H]5CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000104389295 219383972 /nfs/dbraw/zinc/38/39/72/219383972.db2.gz VTUJCRYRYIZIRS-DPZYUTSNSA-N 0 3 344.543 3.889 40 0 EHABHN COc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039762713 213242744 /nfs/dbraw/zinc/24/27/44/213242744.db2.gz GWPKRVZBNHFUTL-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834239 213228117 /nfs/dbraw/zinc/22/81/17/213228117.db2.gz HQBKRURKZWDYEG-MRXNPFEDSA-N 0 3 342.414 3.685 40 0 EHABHN COc1ccc(-c2[nH]c3ncccc3c2CN2CCSCC2)cc1 ZINC000072343209 216159691 /nfs/dbraw/zinc/15/96/91/216159691.db2.gz SNDUHZFADBQVQG-UHFFFAOYSA-N 0 3 339.464 3.787 40 0 EHABHN COc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072355489 216163571 /nfs/dbraw/zinc/16/35/71/216163571.db2.gz NSQDAIIUAOYYMH-GOSISDBHSA-N 0 3 334.423 3.613 40 0 EHABHN c1ccc(CCN2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377557 216178804 /nfs/dbraw/zinc/17/88/04/216178804.db2.gz ARUFXDQNUUFUCV-LJQANCHMSA-N 0 3 345.450 3.995 40 0 EHABHN c1ccc(Oc2cncc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072384260 216185324 /nfs/dbraw/zinc/18/53/24/216185324.db2.gz JHQDBWKUDVFDTA-SFHVURJKSA-N 0 3 325.412 3.585 40 0 EHABHN C/C(=C\c1ccccc1)CN1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000072390787 216191354 /nfs/dbraw/zinc/19/13/54/216191354.db2.gz TUXIKMHUJKZDDR-RYEVTAHJSA-N 0 3 348.494 3.753 40 0 EHABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)C1CC1 ZINC000072393380 216192843 /nfs/dbraw/zinc/19/28/43/216192843.db2.gz PHEHFDOSWWPSRK-UHFFFAOYSA-N 0 3 346.902 3.752 40 0 EHABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1 ZINC000022913797 212333370 /nfs/dbraw/zinc/33/33/70/212333370.db2.gz DCDYUJQXEXUSSC-UHFFFAOYSA-N 0 3 337.389 3.664 40 0 EHABHN O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000020436108 212128757 /nfs/dbraw/zinc/12/87/57/212128757.db2.gz MBCFIPATYINVHV-CQSZACIVSA-N 0 3 341.238 3.548 40 0 EHABHN Cc1cc(C)n(C2CCN(Cc3c(C)nc4cc(C)ccn43)CC2)n1 ZINC000019658988 212053991 /nfs/dbraw/zinc/05/39/91/212053991.db2.gz SPOIKBBHIBAQDY-UHFFFAOYSA-N 0 3 337.471 3.602 40 0 EHABHN COCc1ccc(C(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000019594397 212049999 /nfs/dbraw/zinc/04/99/99/212049999.db2.gz DGWSNMDLJCCPLX-UHFFFAOYSA-N 0 3 349.434 3.729 40 0 EHABHN COCc1ccc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1 ZINC000019594397 212050002 /nfs/dbraw/zinc/05/00/02/212050002.db2.gz DGWSNMDLJCCPLX-UHFFFAOYSA-N 0 3 349.434 3.729 40 0 EHABHN Clc1cccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)c1 ZINC000019293398 212012603 /nfs/dbraw/zinc/01/26/03/212012603.db2.gz BAOVECAGECHMTR-UHFFFAOYSA-N 0 3 326.831 3.991 40 0 EHABHN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019286855 212009884 /nfs/dbraw/zinc/00/98/84/212009884.db2.gz ZWKXNIDOKPRLEP-IBGZPJMESA-N 0 3 345.450 3.622 40 0 EHABHN Cc1ccc(C2(O)CCN(Cc3ccccc3-n3cccn3)CC2)cc1 ZINC000012293044 211335783 /nfs/dbraw/zinc/33/57/83/211335783.db2.gz WVKOMGTVZTXLEL-UHFFFAOYSA-N 0 3 347.462 3.664 40 0 EHABHN Cn1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012240663 211328653 /nfs/dbraw/zinc/32/86/53/211328653.db2.gz XKONLNYXBRNRBH-UHFFFAOYSA-N 0 3 338.426 3.801 40 0 EHABHN CCN(CC)C[C@H](Oc1ccccc1OC)C(=O)c1ccccc1 ZINC000006382393 563566562 /nfs/dbraw/zinc/56/65/62/563566562.db2.gz BNVUDMKWTPDKAX-IBGZPJMESA-N 0 3 327.424 3.667 40 0 EHABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006883126 563590612 /nfs/dbraw/zinc/59/06/12/563590612.db2.gz QERAAEQLIATTCK-UHFFFAOYSA-N 0 3 337.822 3.919 40 0 EHABHN COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341114 563966404 /nfs/dbraw/zinc/96/64/04/563966404.db2.gz FGXSYQLGFKLQMK-LQWHRVPQSA-N 0 3 341.451 3.508 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)o1 ZINC000096100304 563979175 /nfs/dbraw/zinc/97/91/75/563979175.db2.gz KHIMWCSBWKUTGE-OAQYLSRUSA-N 0 3 338.451 3.734 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216976 563980363 /nfs/dbraw/zinc/98/03/63/563980363.db2.gz XHPBHEZKMZQDTG-LJQANCHMSA-N 0 3 342.512 3.647 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2)o1 ZINC000096215894 563980399 /nfs/dbraw/zinc/98/03/99/563980399.db2.gz UNBBRCMDZTUPTF-IBGZPJMESA-N 0 3 344.480 3.778 40 0 EHABHN COCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007539999 564015625 /nfs/dbraw/zinc/01/56/25/564015625.db2.gz HVQKCVNHANHCLX-UHFFFAOYSA-N 0 3 341.860 3.725 40 0 EHABHN Cc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000007636279 564015746 /nfs/dbraw/zinc/01/57/46/564015746.db2.gz MQVKTXKYDWFPRQ-NRFANRHFSA-N 0 3 339.479 3.689 40 0 EHABHN CCOC(=O)c1ccc(-c2ccc(CNCCN(CC)CC)o2)cc1 ZINC000022076240 564034165 /nfs/dbraw/zinc/03/41/65/564034165.db2.gz HSVDFMSLGDPJLL-UHFFFAOYSA-N 0 3 344.455 3.555 40 0 EHABHN CCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCCC1 ZINC000225711109 564049670 /nfs/dbraw/zinc/04/96/70/564049670.db2.gz ABQGCTIFBGHOSE-UHFFFAOYSA-N 0 3 348.487 3.695 40 0 EHABHN Clc1ncccc1-c1noc(CN2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000253492698 564124640 /nfs/dbraw/zinc/12/46/40/564124640.db2.gz QVJFQLVCYIEWOD-GXTWGEPZSA-N 0 3 332.835 3.940 40 0 EHABHN CN1CC[C@@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444383 1128960401 /nfs/dbraw/zinc/96/04/01/1128960401.db2.gz OKNPEAZTEBJDNZ-SJLPKXTDSA-N 0 3 332.403 3.881 40 0 EHABHN Fc1ccc(-c2cc(CC3(NC4CCCCC4)COC3)no2)cc1 ZINC000067897865 215245685 /nfs/dbraw/zinc/24/56/85/215245685.db2.gz IWNKATWCDJBOKM-UHFFFAOYSA-N 0 3 330.403 3.715 40 0 biogenic,in-vitro EHABHN O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039744074 213242070 /nfs/dbraw/zinc/24/20/70/213242070.db2.gz STMBTFBUEAINGX-UHFFFAOYSA-N 0 3 348.368 3.955 40 0 EHABHN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853582 213227735 /nfs/dbraw/zinc/22/77/35/213227735.db2.gz MNMDSFHBKYRPJC-CQSZACIVSA-N 0 3 348.368 3.955 40 0 EHABHN COc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378685 216181811 /nfs/dbraw/zinc/18/18/11/216181811.db2.gz MVODCBVWAMWISG-GOSISDBHSA-N 0 3 348.450 3.656 40 0 EHABHN Fc1cccc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389963 216189737 /nfs/dbraw/zinc/18/97/37/216189737.db2.gz MAYKABIKCWYXKU-INIZCTEOSA-N 0 3 338.386 3.650 40 0 EHABHN O=C(Cc1ccc(F)cc1)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019333201 212016142 /nfs/dbraw/zinc/01/61/42/212016142.db2.gz QHQKAUKACQCPAG-UHFFFAOYSA-N 0 3 337.398 3.651 40 0 EHABHN O=C(Cc1ccc(F)cc1)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019333201 212016144 /nfs/dbraw/zinc/01/61/44/212016144.db2.gz QHQKAUKACQCPAG-UHFFFAOYSA-N 0 3 337.398 3.651 40 0 EHABHN CN1C(=O)C2(CCN(Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000096100247 218593360 /nfs/dbraw/zinc/59/33/60/218593360.db2.gz DPTIOWHJQXBPJF-IBGZPJMESA-N 0 3 338.426 3.621 40 0 EHABHN Cc1cc2cc3c(cc2nc1SCCN1CCCC1)OCCO3 ZINC000004858656 210303322 /nfs/dbraw/zinc/30/33/22/210303322.db2.gz OUYPKQKCYYZDCK-UHFFFAOYSA-N 0 3 330.453 3.502 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)N3CCCC(C)(C)C3)CC2)cc1 ZINC000039767245 257854904 /nfs/dbraw/zinc/85/49/04/257854904.db2.gz MMVOVVCAGXJJBW-UHFFFAOYSA-N 0 3 328.500 3.856 40 0 EHABHN CN(C)CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013669965 257912128 /nfs/dbraw/zinc/91/21/28/257912128.db2.gz USYYSSBTBTUZSV-UHFFFAOYSA-N 0 3 348.899 3.924 40 0 EHABHN CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000039756151 518426038 /nfs/dbraw/zinc/42/60/38/518426038.db2.gz AVVFNPDQWUHHET-UHFFFAOYSA-N 0 3 336.435 3.740 40 0 EHABHN CCN(CC)CCOC(=O)[C@@H]1CCCC[C@H]1C(=O)C1CCCCC1 ZINC000006382245 563566568 /nfs/dbraw/zinc/56/65/68/563566568.db2.gz GCSXQKJRCSGYPB-QZTJIDSGSA-N 0 3 337.504 3.827 40 0 EHABHN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938387 563911804 /nfs/dbraw/zinc/91/18/04/563911804.db2.gz KXNMCLNAZOUVHG-AWEZNQCLSA-N 0 3 348.368 3.955 40 0 EHABHN CN1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585102332 563971531 /nfs/dbraw/zinc/97/15/31/563971531.db2.gz XEBIHTVEMVHUAG-OAQYLSRUSA-N 0 3 336.435 3.789 40 0 EHABHN O=C(c1ccsc1)N1CCC2(CCN(Cc3ccco3)CC2)CC1 ZINC000096047268 563978299 /nfs/dbraw/zinc/97/82/99/563978299.db2.gz AGIDUXCDZQESQJ-UHFFFAOYSA-N 0 3 344.480 3.860 40 0 EHABHN Cc1ccc(CN2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)o1 ZINC000096049271 563978406 /nfs/dbraw/zinc/97/84/06/563978406.db2.gz NARFIAKPTIKTNT-UHFFFAOYSA-N 0 3 332.488 3.839 40 0 EHABHN Cc1ccc(N2C[C@]3(CCN(Cc4cccs4)C3)CC2=O)s1 ZINC000096050858 563978482 /nfs/dbraw/zinc/97/84/82/563978482.db2.gz BXTFZDMFGIHFPF-QGZVFWFLSA-N 0 3 332.494 3.747 40 0 EHABHN FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239572 563980492 /nfs/dbraw/zinc/98/04/92/563980492.db2.gz KWGYGWSVOKAZQB-KRWDZBQOSA-N 0 3 349.450 3.881 40 0 EHABHN COc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1OC ZINC000010332056 564017302 /nfs/dbraw/zinc/01/73/02/564017302.db2.gz ATKQNYHTYPHKAB-UHFFFAOYSA-N 0 3 340.423 3.552 40 0 EHABHN S=C(Nc1ccccc1)NC1CCN(Cc2cccs2)CC1 ZINC000225229502 564045465 /nfs/dbraw/zinc/04/54/65/564045465.db2.gz UXHPYVNIRLUEQU-UHFFFAOYSA-N 0 3 331.510 3.699 40 0 EHABHN Cc1ncsc1CN1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257289314 564054829 /nfs/dbraw/zinc/05/48/29/564054829.db2.gz PYCDZOVCGHLCPX-PIIMJCKOSA-N 0 3 328.481 3.879 40 0 EHABHN c1coc(CN2CC[C@]3(C2)CN(Cc2ccccc2)c2cccnc23)c1 ZINC000306132541 564062273 /nfs/dbraw/zinc/06/22/73/564062273.db2.gz LLQCXQYMFOAXGE-QFIPXVFZSA-N 0 3 345.446 3.839 40 0 EHABHN O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063624 564127617 /nfs/dbraw/zinc/12/76/17/564127617.db2.gz MQENMQNARVRXRJ-UHFFFAOYSA-N 0 3 348.368 3.955 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000039750686 213241750 /nfs/dbraw/zinc/24/17/50/213241750.db2.gz FYLHZSYUDKRHJX-UHFFFAOYSA-N 0 3 334.463 3.796 40 0 EHABHN c1ccc2[nH]c(C3CCN(C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315402 213020949 /nfs/dbraw/zinc/02/09/49/213020949.db2.gz JBPGIOITWVOGBS-INIZCTEOSA-N 0 3 349.434 3.582 40 0 EHABHN Cc1cc(C)n(C2CCN(Cc3cn(C)c4cc(F)ccc34)CC2)n1 ZINC000019656667 212052912 /nfs/dbraw/zinc/05/29/12/212052912.db2.gz SJERDSIITYZZKQ-UHFFFAOYSA-N 0 3 340.446 3.968 40 0 EHABHN CN1CCC2(CC1)CN(Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000019588424 212048089 /nfs/dbraw/zinc/04/80/89/212048089.db2.gz LFOZLYYEWWUNNB-UHFFFAOYSA-N 0 3 340.442 3.685 40 0 EHABHN COc1cccc(C(=O)N2CCC[C@H](c3cc4c[nH]ccc-4n3)C2)c1 ZINC000019564433 212044524 /nfs/dbraw/zinc/04/45/24/212044524.db2.gz RMOZWJWTBPTGIY-HNNXBMFYSA-N 0 3 335.407 3.591 40 0 EHABHN COc1cccc(C(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)c1 ZINC000019564433 212044528 /nfs/dbraw/zinc/04/45/28/212044528.db2.gz RMOZWJWTBPTGIY-HNNXBMFYSA-N 0 3 335.407 3.591 40 0 EHABHN Cc1c(CN(C)[C@@H](C)Cc2ccccn2)cnn1Cc1ccccc1 ZINC000019554473 212040476 /nfs/dbraw/zinc/04/04/76/212040476.db2.gz DQIMXMSIQOXRLV-KRWDZBQOSA-N 0 3 334.467 3.698 40 0 EHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000019500296 212033496 /nfs/dbraw/zinc/03/34/96/212033496.db2.gz XILNLXDRTFITQY-KRWDZBQOSA-N 0 3 341.499 3.708 40 0 EHABHN O[C@@H](CN1CCC[C@@H](COc2ccccc2F)C1)c1cccs1 ZINC000019350253 212019847 /nfs/dbraw/zinc/01/98/47/212019847.db2.gz QCNGGSIXHAHXHM-ZBFHGGJFSA-N 0 3 335.444 3.712 40 0 EHABHN C[C@H](Oc1cccc2ccccc21)C(=O)NCCN1CCCCCC1 ZINC000013709546 211616472 /nfs/dbraw/zinc/61/64/72/211616472.db2.gz NDLHINBNMZOJCQ-KRWDZBQOSA-N 0 3 340.467 3.599 40 0 EHABHN Cc1cc(-c2cnc(N[C@@H](C)CN(C)C)nc2-c2cccs2)on1 ZINC000012155751 211309723 /nfs/dbraw/zinc/30/97/23/211309723.db2.gz WDBYYQLTHGZMFE-LBPRGKRZSA-N 0 3 343.456 3.531 40 0 EHABHN CN1CC[C@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000005047905 210374367 /nfs/dbraw/zinc/37/43/67/210374367.db2.gz PHBXPVYYUPKNSU-OXJNMPFZSA-N 0 3 347.524 3.666 40 0 EHABHN CN1CCC(N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339861 /nfs/dbraw/zinc/33/98/61/536339861.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 0 3 343.446 3.636 40 0 EHABHN CC[C@@]1(C)C[C@@](CC(=O)O[C@H](C)CN(C)C)(c2ccccc2)CCO1 ZINC000001234513 563380542 /nfs/dbraw/zinc/38/05/42/563380542.db2.gz BQVOKFAZPLBWCA-JRGCBEDISA-N 0 3 347.499 3.787 40 0 EHABHN COc1ccc2c(c1O)[C@]13CC=N[C@H](C2)[C@H]1C(C)(C)C(C)(C)C(=O)C3 ZINC000001581091 563393906 /nfs/dbraw/zinc/39/39/06/563393906.db2.gz YZUICYYRVXDGNI-LZHZSBQWSA-N 0 3 341.451 3.679 40 0 EHABHN CN1CC[C@@H](CSC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000001710813 563406175 /nfs/dbraw/zinc/40/61/75/563406175.db2.gz PHBXPVYYUPKNSU-OXQOHEQNSA-N 0 3 347.524 3.666 40 0 EHABHN CCOc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000008254541 563625143 /nfs/dbraw/zinc/62/51/43/563625143.db2.gz PGQWIJWRSXJELB-AWEZNQCLSA-N 0 3 349.858 3.788 40 0 EHABHN CCOc1cccc(CN[C@@H](CC)CO)c1OCc1ccccc1 ZINC000008326394 563626919 /nfs/dbraw/zinc/62/69/19/563626919.db2.gz SFRFBFNQZASCNW-SFHVURJKSA-N 0 3 329.440 3.525 40 0 EHABHN CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000012291605 563657304 /nfs/dbraw/zinc/65/73/04/563657304.db2.gz KKYWGPWHWILZMQ-LJQANCHMSA-N 0 3 344.499 3.531 40 0 EHABHN Fc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047594 563978290 /nfs/dbraw/zinc/97/82/90/563978290.db2.gz XWDSOENHFAHJIU-UXHICEINSA-N 0 3 344.405 3.810 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)o1 ZINC000096047854 563978345 /nfs/dbraw/zinc/97/83/45/563978345.db2.gz IPDHQLFIKCMQCU-FQEVSTJZSA-N 0 3 341.451 3.928 40 0 EHABHN CCN1CCC2(CC1)C[C@H](NCc1cccnc1)c1ccccc1O2 ZINC000096079746 563979106 /nfs/dbraw/zinc/97/91/06/563979106.db2.gz OHDWIIGCNMPSGA-IBGZPJMESA-N 0 3 337.467 3.550 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)s1 ZINC000096199590 563980116 /nfs/dbraw/zinc/98/01/16/563980116.db2.gz XGOAXWXMNBVDHR-GOSISDBHSA-N 0 3 340.492 3.695 40 0 EHABHN Cc1cccc(O[C@@H]2CCC[C@H](N(C)Cc3ccc(F)cc3)[C@H]2O)c1 ZINC000585288688 563982079 /nfs/dbraw/zinc/98/20/79/563982079.db2.gz HQRRAVMMYOBLJJ-PWRODBHTSA-N 0 3 343.442 3.927 40 0 EHABHN c1ccc(OCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369825 563990979 /nfs/dbraw/zinc/99/09/79/563990979.db2.gz UTQWPTJYMWRNEY-QGZVFWFLSA-N 0 3 335.407 3.605 40 0 EHABHN Fc1ccccc1CN1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169826 564032621 /nfs/dbraw/zinc/03/26/21/564032621.db2.gz BXONPLMDLUDDNU-KRWDZBQOSA-N 0 3 337.398 3.789 40 0 biogenic,in-vitro EHABHN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225618411 564048504 /nfs/dbraw/zinc/04/85/04/564048504.db2.gz LECWSRIQJTZQBV-FQEVSTJZSA-N 0 3 348.487 3.695 40 0 EHABHN Cc1ccc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)cn1 ZINC000257283971 564054684 /nfs/dbraw/zinc/05/46/84/564054684.db2.gz PASAVNBNXYHKNL-LJQANCHMSA-N 0 3 335.451 3.562 40 0 EHABHN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCCCC3)n2)cc1F ZINC000015674306 564070515 /nfs/dbraw/zinc/07/05/15/564070515.db2.gz GOMIPRYIWJLZMV-WBVHZDCISA-N 0 3 345.418 3.625 40 0 biogenic,in-vitro EHABHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccco2)[C@@H]1c1cccs1 ZINC000104145447 219352816 /nfs/dbraw/zinc/35/28/16/219352816.db2.gz OLGQEWYLKUJKMS-MFUPGOHSSA-N 0 3 330.453 3.554 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000039762239 213242014 /nfs/dbraw/zinc/24/20/14/213242014.db2.gz MUXIEHNFBVMUSM-UHFFFAOYSA-N 0 3 334.463 3.796 40 0 EHABHN FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4ccccn4)C3)nc2c1 ZINC000035446699 213028786 /nfs/dbraw/zinc/02/87/86/213028786.db2.gz LYCWJOGHXXWECF-LBPRGKRZSA-N 0 3 346.356 3.966 40 0 biogenic,in-vitro EHABHN COc1ccccc1CN1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000035446602 213029248 /nfs/dbraw/zinc/02/92/48/213029248.db2.gz GSUUDDCXAMPFMB-AWEZNQCLSA-N 0 3 325.387 3.700 40 0 biogenic,in-vitro EHABHN COc1c(C)cccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366770 216171720 /nfs/dbraw/zinc/17/17/20/216171720.db2.gz OHTUGUDILZUIKQ-LJQANCHMSA-N 0 3 348.450 3.921 40 0 EHABHN Clc1ccccc1CN1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000072389885 216189475 /nfs/dbraw/zinc/18/94/75/216189475.db2.gz QBFQXWAFESYXMS-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 EHABHN COc1ccc(CCNCc2cc(C3CC3)nn2C(C)C)cc1OC ZINC000256053265 244065885 /nfs/dbraw/zinc/06/58/85/244065885.db2.gz QTSXTIMDVPCNLV-UHFFFAOYSA-N 0 3 343.471 3.691 40 0 EHABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)c1 ZINC000257244333 244253099 /nfs/dbraw/zinc/25/30/99/244253099.db2.gz IKVDIYDLLLOMBJ-MRXNPFEDSA-N 0 3 346.434 3.610 40 0 EHABHN CCn1c(C)nc2cc(NC(=O)c3ccc(CN(C)C)cc3)ccc21 ZINC000019657487 212054460 /nfs/dbraw/zinc/05/44/60/212054460.db2.gz STSFJJXTXVOBPJ-UHFFFAOYSA-N 0 3 336.439 3.679 40 0 EHABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccn1 ZINC000019590195 212049066 /nfs/dbraw/zinc/04/90/66/212049066.db2.gz CBKQBDBWQNGMQS-HMXCVIKNSA-N 0 3 349.478 3.564 40 0 EHABHN Cc1cc(N(C)C)cc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000019570264 212044115 /nfs/dbraw/zinc/04/41/15/212044115.db2.gz NPFUMKBWXOOYSK-MRXNPFEDSA-N 0 3 341.430 3.615 40 0 EHABHN COc1ccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019554929 212040881 /nfs/dbraw/zinc/04/08/81/212040881.db2.gz YGLUDMUXRWIHLM-AWEZNQCLSA-N 0 3 341.436 3.796 40 0 EHABHN COc1c(C)cccc1C(=O)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019235822 212006789 /nfs/dbraw/zinc/00/67/89/212006789.db2.gz MAQXJPFEBNIBRO-UHFFFAOYSA-N 0 3 349.434 3.900 40 0 EHABHN COc1c(C)cccc1C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019235822 212006792 /nfs/dbraw/zinc/00/67/92/212006792.db2.gz MAQXJPFEBNIBRO-UHFFFAOYSA-N 0 3 349.434 3.900 40 0 EHABHN COc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000009063005 257862527 /nfs/dbraw/zinc/86/25/27/257862527.db2.gz REECFQFKUXINTN-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000000212253 563261229 /nfs/dbraw/zinc/26/12/29/563261229.db2.gz AMOVUYFZCHTGNU-KRWDZBQOSA-N 0 3 334.891 3.955 40 0 EHABHN CCN(CC)C[C@@H](Oc1ccccc1OC)C(=O)c1ccccc1 ZINC000001706435 563405698 /nfs/dbraw/zinc/40/56/98/563405698.db2.gz BNVUDMKWTPDKAX-LJQANCHMSA-N 0 3 327.424 3.667 40 0 EHABHN CC[C@@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008326335 563626811 /nfs/dbraw/zinc/62/68/11/563626811.db2.gz FHBXMYORIMAJEK-KRWDZBQOSA-N 0 3 349.858 3.788 40 0 EHABHN C[C@H](CNC(=S)Nc1ccc(F)c(Cl)c1)N1CCC(C)CC1 ZINC000032555865 563913885 /nfs/dbraw/zinc/91/38/85/563913885.db2.gz MTXCBTXXMODSJQ-GFCCVEGCSA-N 0 3 343.899 3.886 40 0 EHABHN Clc1nc2cc3c(cc2cc1CNCCc1ccccc1)OCO3 ZINC000013535461 563929485 /nfs/dbraw/zinc/92/94/85/563929485.db2.gz XHHCNIIFALBHLH-UHFFFAOYSA-N 0 3 340.810 3.949 40 0 EHABHN COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341115 563966421 /nfs/dbraw/zinc/96/64/21/563966421.db2.gz FGXSYQLGFKLQMK-LVCYWYKZSA-N 0 3 341.451 3.508 40 0 EHABHN Cc1nc([C@H]2C[C@H]3CN(Cc4ccncc4)CC[C@@H]3O2)sc1C ZINC000096045998 563977959 /nfs/dbraw/zinc/97/79/59/563977959.db2.gz XXYJMIXPPTZZKK-YESZJQIVSA-N 0 3 329.469 3.507 40 0 EHABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048002 563978321 /nfs/dbraw/zinc/97/83/21/563978321.db2.gz MIBLPZQLZIPZTQ-QGZVFWFLSA-N 0 3 346.496 3.597 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)s1 ZINC000096047779 563978387 /nfs/dbraw/zinc/97/83/87/563978387.db2.gz MMBRXBWGXZKXHO-QGZVFWFLSA-N 0 3 328.481 3.990 40 0 EHABHN O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1cccc(F)c1 ZINC000096050712 563978517 /nfs/dbraw/zinc/97/85/17/563978517.db2.gz UOOZOFXDBYSZMD-GOSISDBHSA-N 0 3 330.428 3.516 40 0 EHABHN c1cc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)cs1 ZINC000096106083 563979221 /nfs/dbraw/zinc/97/92/21/563979221.db2.gz UAJGLAVHAGDFRY-GOSISDBHSA-N 0 3 344.480 3.593 40 0 EHABHN Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H](N(C)Cc3ccco3)[C@H]2C1 ZINC000107746097 563984169 /nfs/dbraw/zinc/98/41/69/563984169.db2.gz QBOZYILEXJSWSU-SZMVWBNQSA-N 0 3 342.439 3.554 40 0 EHABHN CCOc1ccc(CN2CCC(C)(c3nccs3)CC2)cc1CO ZINC000257344324 564055830 /nfs/dbraw/zinc/05/58/30/564055830.db2.gz ZWSCWHHFGFSWOQ-UHFFFAOYSA-N 0 3 346.496 3.588 40 0 EHABHN CC(C)(C)c1ccc(CCC(=O)NCCN2CCCCCC2)cc1 ZINC000010434375 564127818 /nfs/dbraw/zinc/12/78/18/564127818.db2.gz VDVLTZBWGFMFOQ-UHFFFAOYSA-N 0 3 330.516 3.909 40 0 EHABHN COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000095533719 564141675 /nfs/dbraw/zinc/14/16/75/564141675.db2.gz GYYKAQXIVABAMN-CQSZACIVSA-N 0 3 348.328 3.547 40 0 EHABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095533741 564141703 /nfs/dbraw/zinc/14/17/03/564141703.db2.gz VVXNSBURJHBTHJ-KRWDZBQOSA-N 0 3 336.439 3.826 40 0 EHABHN CNc1ccc(-c2noc([C@@H]3CCCN3C3CCCCC3)n2)cn1 ZINC000035426102 213027741 /nfs/dbraw/zinc/02/77/41/213027741.db2.gz XNLRJOWZNSVXSG-HNNXBMFYSA-N 0 3 327.432 3.643 40 0 biogenic,in-vitro EHABHN CCc1nccn1-c1cncc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072378665 216181346 /nfs/dbraw/zinc/18/13/46/216181346.db2.gz VBOUGGBPGJGUSF-GOSISDBHSA-N 0 3 333.439 3.562 40 0 EHABHN CCN1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192863 212109325 /nfs/dbraw/zinc/10/93/25/212109325.db2.gz FFUNCPDGSUPTDM-NRFANRHFSA-N 0 3 334.467 3.598 40 0 EHABHN CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2Cc1ccncc1 ZINC000257315423 244501490 /nfs/dbraw/zinc/50/14/90/244501490.db2.gz VBGMRNSPPYGRCA-FDFHNCONSA-N 0 3 349.478 3.798 40 0 EHABHN Cc1[nH]c2ccccc2c1Cc1cc(N[C@@H]2CCCN(C)C2)nc(C)n1 ZINC000019655572 212053154 /nfs/dbraw/zinc/05/31/54/212053154.db2.gz JWUQNZJJSQNHLW-MRXNPFEDSA-N 0 3 349.482 3.672 40 0 EHABHN CN(C)CCN(Cc1ccncc1)Cc1ccccc1C(F)(F)F ZINC000019582720 212047708 /nfs/dbraw/zinc/04/77/08/212047708.db2.gz YTTQCDPJPKFTIW-UHFFFAOYSA-N 0 3 337.389 3.664 40 0 EHABHN Fc1ccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344685 212017558 /nfs/dbraw/zinc/01/75/58/212017558.db2.gz MRCAFUMHGYKXIU-ZDUSSCGKSA-N 0 3 329.400 3.927 40 0 EHABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000012292455 211335059 /nfs/dbraw/zinc/33/50/59/211335059.db2.gz YWYREWVIGHWIDF-IBGZPJMESA-N 0 3 345.870 3.665 40 0 EHABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2)c1 ZINC000257262416 536022636 /nfs/dbraw/zinc/02/26/36/536022636.db2.gz LLHQTRNCSZCMDB-UHFFFAOYSA-N 0 3 345.446 3.740 40 0 EHABHN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044912327 563928311 /nfs/dbraw/zinc/92/83/11/563928311.db2.gz NMKNOZZMCXGZKE-LJQANCHMSA-N 0 3 340.442 3.663 40 0 EHABHN Fc1ccc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047781 563978328 /nfs/dbraw/zinc/97/83/28/563978328.db2.gz QQQLWNIRENULMJ-SFHVURJKSA-N 0 3 326.415 3.759 40 0 EHABHN c1coc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047843 563978364 /nfs/dbraw/zinc/97/83/64/563978364.db2.gz VAQLFXSRGFRUCA-IBGZPJMESA-N 0 3 327.424 3.620 40 0 EHABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000096058444 563978806 /nfs/dbraw/zinc/97/88/06/563978806.db2.gz MCCIKYFKNXEUPM-UXHICEINSA-N 0 3 340.492 3.513 40 0 EHABHN c1csc(CN2CC[C@]3(C2)COCCN(Cc2ccsc2)C3)c1 ZINC000096062392 563978983 /nfs/dbraw/zinc/97/89/83/563978983.db2.gz GVZVYQXXWZSODW-GOSISDBHSA-N 0 3 348.537 3.534 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107730578 563984123 /nfs/dbraw/zinc/98/41/23/563984123.db2.gz DPHIXUKXHVKHPN-MJGOQNOKSA-N 0 3 344.480 3.654 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)o1 ZINC000107728360 563984153 /nfs/dbraw/zinc/98/41/53/563984153.db2.gz PWISKJJIVVAGDI-IEBWSBKVSA-N 0 3 330.403 3.573 40 0 EHABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)co1 ZINC000107752077 563984156 /nfs/dbraw/zinc/98/41/56/563984156.db2.gz ZPCCGJGMBOWHNR-UXHICEINSA-N 0 3 333.472 3.858 40 0 EHABHN c1ccc(OCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369826 563990982 /nfs/dbraw/zinc/99/09/82/563990982.db2.gz UTQWPTJYMWRNEY-KRWDZBQOSA-N 0 3 335.407 3.605 40 0 EHABHN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000006629552 563992949 /nfs/dbraw/zinc/99/29/49/563992949.db2.gz NOAJXDOALBDWGR-LFIBNONCSA-N 0 3 341.436 3.935 40 0 EHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@H](O)c1ccccc1 ZINC000257343216 563999668 /nfs/dbraw/zinc/99/96/68/563999668.db2.gz ZRYFMUPVGTTZOK-JOCHJYFZSA-N 0 3 348.446 3.826 40 0 EHABHN Clc1ccc(-c2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 ZINC000049169437 564032520 /nfs/dbraw/zinc/03/25/20/564032520.db2.gz DDCGGVQRCXENJK-HNNXBMFYSA-N 0 3 340.814 3.775 40 0 biogenic,in-vitro EHABHN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225606395 564048310 /nfs/dbraw/zinc/04/83/10/564048310.db2.gz QBEXZVVNGVISLP-HXUWFJFHSA-N 0 3 348.487 3.551 40 0 EHABHN c1coc(CN2CC[C@@]3(C2)CN(Cc2ccccc2)c2cccnc23)c1 ZINC000306132540 564062235 /nfs/dbraw/zinc/06/22/35/564062235.db2.gz LLQCXQYMFOAXGE-JOCHJYFZSA-N 0 3 345.446 3.839 40 0 EHABHN O=C(OCc1ccccc1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC000575447508 564079800 /nfs/dbraw/zinc/07/98/00/564079800.db2.gz AUGRQMMVNGVQLT-UXHICEINSA-N 0 3 336.435 3.530 40 0 EHABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](N[C@@H]2CCCc3cccnc32)CC1 ZINC000252669845 564124793 /nfs/dbraw/zinc/12/47/93/564124793.db2.gz IUOWKWOLHMLRTR-BRWVUGGUSA-N 0 3 345.487 3.885 40 0 EHABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000095534147 564141638 /nfs/dbraw/zinc/14/16/38/564141638.db2.gz JBUBOAKJBNWOGY-CQSZACIVSA-N 0 3 332.329 3.847 40 0 EHABHN Fc1ccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389973 216189121 /nfs/dbraw/zinc/18/91/21/216189121.db2.gz JMEPCOKGZJETAP-MRXNPFEDSA-N 0 3 338.386 3.650 40 0 EHABHN CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1F ZINC000022913872 212332396 /nfs/dbraw/zinc/33/23/96/212332396.db2.gz FKHFIJBVWCUUPB-IBGZPJMESA-N 0 3 327.447 3.707 40 0 EHABHN Cc1cccnc1Nc1cc([C@@H]2CCCN(Cc3cnc[nH]3)C2)ccn1 ZINC000257275682 244392325 /nfs/dbraw/zinc/39/23/25/244392325.db2.gz NQLOCIRZCJTFQW-QGZVFWFLSA-N 0 3 348.454 3.631 40 0 EHABHN C[C@@H]1CCCCN1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496359 212032743 /nfs/dbraw/zinc/03/27/43/212032743.db2.gz XTRSLEARKFBKTN-CYBMUJFWSA-N 0 3 347.484 3.786 40 0 EHABHN Nc1cc2cc(F)ccc2nc1C1CCN(Cc2cccnc2)CC1 ZINC000019338924 212017956 /nfs/dbraw/zinc/01/79/56/212017956.db2.gz FFNQFJMZMVOCDX-UHFFFAOYSA-N 0 3 336.414 3.731 40 0 EHABHN Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)CCN1CCCCC1 ZINC000012360880 211355289 /nfs/dbraw/zinc/35/52/89/211355289.db2.gz RNVFYZLIGFWXDE-UHFFFAOYSA-N 0 3 347.890 3.617 40 0 EHABHN CN(C)C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934887 221206370 /nfs/dbraw/zinc/20/63/70/221206370.db2.gz JZXWQNLDFVFNTR-HMJACCDDSA-N 0 3 345.527 3.667 40 0 EHABHN CC(C)C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019086180 563853502 /nfs/dbraw/zinc/85/35/02/563853502.db2.gz HFFKDSXHMWVPSG-UHFFFAOYSA-N 0 3 348.918 3.998 40 0 EHABHN COc1ccc(N[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)cc1 ZINC000096047612 563978254 /nfs/dbraw/zinc/97/82/54/563978254.db2.gz YKCPKELHLDNUBK-MJGOQNOKSA-N 0 3 344.480 3.602 40 0 EHABHN Fc1cccc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)c1 ZINC000096047576 563978295 /nfs/dbraw/zinc/97/82/95/563978295.db2.gz DCSMHJYMKBDLGL-SJLPKXTDSA-N 0 3 332.444 3.733 40 0 EHABHN c1csc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)c1 ZINC000096048947 563978313 /nfs/dbraw/zinc/97/83/13/563978313.db2.gz GFODEHCXGXOQQK-UHFFFAOYSA-N 0 3 342.508 3.615 40 0 EHABHN Fc1ccc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cc1 ZINC000096047780 563978371 /nfs/dbraw/zinc/97/83/71/563978371.db2.gz QQQLWNIRENULMJ-GOSISDBHSA-N 0 3 326.415 3.759 40 0 EHABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096048736 563978390 /nfs/dbraw/zinc/97/83/90/563978390.db2.gz RQYGAIHPDANFEQ-KRWDZBQOSA-N 0 3 332.494 3.829 40 0 EHABHN Cc1occc1C(=O)N1CCC2(CC(N(C)Cc3ccco3)C2)CC1 ZINC000096159255 563979786 /nfs/dbraw/zinc/97/97/86/563979786.db2.gz LGXLWZGNNPPVJI-UHFFFAOYSA-N 0 3 342.439 3.698 40 0 EHABHN c1cc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)cs1 ZINC000096206100 563980130 /nfs/dbraw/zinc/98/01/30/563980130.db2.gz UCCQBDWQTKSKTN-MJGOQNOKSA-N 0 3 343.496 3.626 40 0 EHABHN Cc1ccc(C)c2[nH]c(=O)c(CN[C@H](CO)CC3CCCCC3)cc12 ZINC000585293411 563982194 /nfs/dbraw/zinc/98/21/94/563982194.db2.gz WFGMATAFVGARLA-SFHVURJKSA-N 0 3 342.483 3.978 40 0 EHABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216248 563985515 /nfs/dbraw/zinc/98/55/15/563985515.db2.gz OQFIYKSUWYUJNN-HXUWFJFHSA-N 0 3 337.467 3.645 40 0 EHABHN CN(C)Cc1cc(C[NH+](C)C)c([O-])c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000003139912 564012934 /nfs/dbraw/zinc/01/29/34/564012934.db2.gz AREAHNNPGYRXTQ-UHFFFAOYSA-N 0 3 341.499 3.875 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000248122761 564053003 /nfs/dbraw/zinc/05/30/03/564053003.db2.gz NMVMOJUPFNJQDD-DJIMGWMZSA-N 0 3 344.480 3.714 40 0 EHABHN CCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257285231 564054688 /nfs/dbraw/zinc/05/46/88/564054688.db2.gz PGEYLXHHUCCOFB-CQSZACIVSA-N 0 3 327.403 3.999 40 0 EHABHN Cc1cccnc1CN1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257309202 564055234 /nfs/dbraw/zinc/05/52/34/564055234.db2.gz TZYDYVHYPAMEJR-LJQANCHMSA-N 0 3 347.462 3.629 40 0 EHABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3ccco3)C1)C2 ZINC000306140494 564062282 /nfs/dbraw/zinc/06/22/82/564062282.db2.gz UVAPGIPVBWBGQO-NRFANRHFSA-N 0 3 349.434 3.600 40 0 EHABHN CC(C)c1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000001475853 564065573 /nfs/dbraw/zinc/06/55/73/564065573.db2.gz PTIKSCXGHSGHDV-LJQANCHMSA-N 0 3 325.452 3.608 40 0 EHABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010333419 564127781 /nfs/dbraw/zinc/12/77/81/564127781.db2.gz MNSMXQHNRMKZLV-UHFFFAOYSA-N 0 3 338.451 3.563 40 0 EHABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2)C3)cc1 ZINC000096296305 564146584 /nfs/dbraw/zinc/14/65/84/564146584.db2.gz IFNDPIRIPBTTMY-IBGZPJMESA-N 0 3 333.435 3.547 40 0 biogenic,in-vitro EHABHN Cc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848720 213227786 /nfs/dbraw/zinc/22/77/86/213227786.db2.gz ZOCXZFNMIHBPET-LJQANCHMSA-N 0 3 340.442 3.663 40 0 EHABHN c1ccc(Oc2cncc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072384261 216185355 /nfs/dbraw/zinc/18/53/55/216185355.db2.gz JHQDBWKUDVFDTA-GOSISDBHSA-N 0 3 325.412 3.585 40 0 EHABHN Fc1ccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390024 216189061 /nfs/dbraw/zinc/18/90/61/216189061.db2.gz HFKSSBWFECCKJH-HNNXBMFYSA-N 0 3 338.386 3.650 40 0 EHABHN C/C(=C\c1ccccc1)CN1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000072390786 216191154 /nfs/dbraw/zinc/19/11/54/216191154.db2.gz TUXIKMHUJKZDDR-ZDJZVTAXSA-N 0 3 348.494 3.753 40 0 EHABHN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225730072 242007149 /nfs/dbraw/zinc/00/71/49/242007149.db2.gz MLCWSIJXDOOUBR-FQEVSTJZSA-N 0 3 348.487 3.695 40 0 EHABHN CC(C)c1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019453292 212027861 /nfs/dbraw/zinc/02/78/61/212027861.db2.gz DHHIPJIRFSCLHO-HXUWFJFHSA-N 0 3 336.483 3.583 40 0 EHABHN O=c1cc([C@@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1 ZINC000019372029 212022685 /nfs/dbraw/zinc/02/26/85/212022685.db2.gz ARGQKDOQZUJYHH-IBGZPJMESA-N 0 3 346.434 3.559 40 0 EHABHN Cc1ccc(CN(CCN(C)C)Cc2c(C)nn(C(C)C)c2C)o1 ZINC000019216489 212005882 /nfs/dbraw/zinc/00/58/82/212005882.db2.gz XBDFCLGPUBIQCL-UHFFFAOYSA-N 0 3 332.492 3.546 40 0 EHABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccc(C)cc1)C1CCCCC1 ZINC000006382253 563566556 /nfs/dbraw/zinc/56/65/56/563566556.db2.gz XAJLHVCJQBUMBE-NRFANRHFSA-N 0 3 347.499 3.648 40 0 EHABHN CC[C@H](CO)NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008337130 563627460 /nfs/dbraw/zinc/62/74/60/563627460.db2.gz KXTZJQLMZASCQK-MRXNPFEDSA-N 0 3 349.858 3.788 40 0 EHABHN Clc1ncccc1-c1noc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000013265807 563693158 /nfs/dbraw/zinc/69/31/58/563693158.db2.gz QVJFQLVCYIEWOD-JSGCOSHPSA-N 0 3 332.835 3.940 40 0 EHABHN Cc1cccnc1CN1CCC2(CC(NC(=O)OCC(C)C)C2)CC1 ZINC000585103956 563971549 /nfs/dbraw/zinc/97/15/49/563971549.db2.gz UKNBCQUIOXEHOZ-UHFFFAOYSA-N 0 3 345.487 3.517 40 0 EHABHN COc1ccc(N[C@@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)cc1 ZINC000096047611 563978260 /nfs/dbraw/zinc/97/82/60/563978260.db2.gz YKCPKELHLDNUBK-PKOBYXMFSA-N 0 3 344.480 3.602 40 0 EHABHN Fc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)c1 ZINC000096047587 563978303 /nfs/dbraw/zinc/97/83/03/563978303.db2.gz PWGBGNBWEKZWBV-ROUUACIJSA-N 0 3 332.444 3.733 40 0 EHABHN c1cc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)co1 ZINC000096047847 563978330 /nfs/dbraw/zinc/97/83/30/563978330.db2.gz NEBKXEOKKZAGQC-IBGZPJMESA-N 0 3 327.424 3.620 40 0 EHABHN Cc1occc1C(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC000096051579 563978558 /nfs/dbraw/zinc/97/85/58/563978558.db2.gz SMGBWZGSDYYRFH-GOSISDBHSA-N 0 3 342.439 3.698 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)c2ccccc2N(C)C3=O)s1 ZINC000096052493 563978657 /nfs/dbraw/zinc/97/86/57/563978657.db2.gz ZIQQBMPZMMBLIZ-UHFFFAOYSA-N 0 3 326.465 3.567 40 0 EHABHN COc1ccc(CN2CC[C@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216656 563980348 /nfs/dbraw/zinc/98/03/48/563980348.db2.gz VFXBYIJWMFHSBX-NRFANRHFSA-N 0 3 337.467 3.583 40 0 EHABHN Cc1cccc(C(=O)N2CCC3(CCCN3Cc3cccnc3)CC2)c1 ZINC000096227980 563980449 /nfs/dbraw/zinc/98/04/49/563980449.db2.gz HVIBLBJUXJGAKR-UHFFFAOYSA-N 0 3 349.478 3.661 40 0 EHABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1 ZINC000585288706 563982090 /nfs/dbraw/zinc/98/20/90/563982090.db2.gz IGXVQRVPCUVTBL-CEWLAPEOSA-N 0 3 325.452 3.754 40 0 EHABHN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)o1 ZINC000107746125 563984129 /nfs/dbraw/zinc/98/41/29/563984129.db2.gz DXSBUYCZZPYIQT-SZMVWBNQSA-N 0 3 342.439 3.554 40 0 EHABHN COc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169278 564032558 /nfs/dbraw/zinc/03/25/58/564032558.db2.gz FWYWISSAGDPNPY-KRWDZBQOSA-N 0 3 335.407 3.735 40 0 biogenic,in-vitro EHABHN CN1C[C@H]2N(Cc3ccsc3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306143715 564062367 /nfs/dbraw/zinc/06/23/67/564062367.db2.gz YKHGBASRRORODF-QUCCMNQESA-N 0 3 340.492 3.513 40 0 EHABHN S=C(Nc1ccc(Cl)c(Cl)c1)NC12CCN(CC1)CC2 ZINC000027642721 564079173 /nfs/dbraw/zinc/07/91/73/564079173.db2.gz SIBIIBYAOKAUHR-UHFFFAOYSA-N 0 3 330.284 3.518 40 0 EHABHN CC[C@@]1(C)C[C@](CC(=O)O[C@@H](C)CN(C)C)(c2ccccc2)CCO1 ZINC000004696775 210250834 /nfs/dbraw/zinc/25/08/34/210250834.db2.gz BQVOKFAZPLBWCA-YYWHXJBOSA-N 0 3 347.499 3.787 40 0 EHABHN Cc1ccc(CN2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)s1 ZINC000097953899 219065292 /nfs/dbraw/zinc/06/52/92/219065292.db2.gz DXFGISWPCUOKSF-BMGDILEWSA-N 0 3 329.469 3.507 40 0 EHABHN C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4N5CCCN[C@H]5CC[C@]4(C)[C@H]3CC[C@]21C ZINC000104389292 219383997 /nfs/dbraw/zinc/38/39/97/219383997.db2.gz VTUJCRYRYIZIRS-DNAOUPSLSA-N 0 3 344.543 3.889 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000039765496 213242396 /nfs/dbraw/zinc/24/23/96/213242396.db2.gz AYYXVAOFPKRWKJ-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN CN(C)c1ccc(C(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000019584774 212047295 /nfs/dbraw/zinc/04/72/95/212047295.db2.gz PJQBSJLOWAHCGX-UHFFFAOYSA-N 0 3 348.450 3.649 40 0 EHABHN CN(C)c1ccc(C(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1 ZINC000019584774 212047297 /nfs/dbraw/zinc/04/72/97/212047297.db2.gz PJQBSJLOWAHCGX-UHFFFAOYSA-N 0 3 348.450 3.649 40 0 EHABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362941 211355695 /nfs/dbraw/zinc/35/56/95/211355695.db2.gz VSFDQGYMQOQTAE-MRXNPFEDSA-N 0 3 345.462 3.539 40 0 EHABHN Cc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(F)cc2)C3)nc1 ZINC000012135246 211301069 /nfs/dbraw/zinc/30/10/69/211301069.db2.gz WNMWATLEGSGWTC-HTZLVSCSSA-N 0 3 340.442 3.649 40 0 EHABHN CCN(CC)CCOC(=O)[C@](O)(c1cccc(C)c1)C1CCCCC1 ZINC000001710824 563406211 /nfs/dbraw/zinc/40/62/11/563406211.db2.gz UORFAMZRWXNUHF-OAQYLSRUSA-N 0 3 347.499 3.648 40 0 EHABHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008337042 563627228 /nfs/dbraw/zinc/62/72/28/563627228.db2.gz QPJNEHKIHSXZOK-MRXNPFEDSA-N 0 3 337.822 3.919 40 0 EHABHN CCOc1cccc(CN[C@H](CC)CO)c1OCc1ccccc1 ZINC000008337128 563627496 /nfs/dbraw/zinc/62/74/96/563627496.db2.gz SFRFBFNQZASCNW-GOSISDBHSA-N 0 3 329.440 3.525 40 0 EHABHN O=C1N(CC2CCCCC2)C[C@@]12CCCN(CC1CC(F)(F)C1)C2 ZINC000585099645 563971417 /nfs/dbraw/zinc/97/14/17/563971417.db2.gz ULGAGRLMEOCHRF-SFHVURJKSA-N 0 3 340.458 3.536 40 0 EHABHN Cc1ccc(CN2CCC3(C2)CCN(Cc2nccs2)CC3)o1 ZINC000096046616 563978067 /nfs/dbraw/zinc/97/80/67/563978067.db2.gz WALQKOWLFXKYQR-UHFFFAOYSA-N 0 3 331.485 3.533 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)o1 ZINC000096061435 563979007 /nfs/dbraw/zinc/97/90/07/563979007.db2.gz RAOGJRSTRYRSGE-LJQANCHMSA-N 0 3 338.451 3.569 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3)C[C@@H]21 ZINC000096081859 563979112 /nfs/dbraw/zinc/97/91/12/563979112.db2.gz MXPXKLFLAOYKER-YSIASYRMSA-N 0 3 338.451 3.652 40 0 EHABHN CN1C[C@H](c2ccccc2)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096100280 563979185 /nfs/dbraw/zinc/97/91/85/563979185.db2.gz LUUARNPEMWZOJU-GOSISDBHSA-N 0 3 340.492 3.586 40 0 EHABHN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(Cc2cccnc2)C3)c1 ZINC000096206239 563980136 /nfs/dbraw/zinc/98/01/36/563980136.db2.gz GAVMLAPYLYLYSN-RTWAWAEBSA-N 0 3 337.467 3.604 40 0 EHABHN CCOc1cc(CN[C@H](CC)CO)ccc1OCc1cccs1 ZINC000008337088 564016130 /nfs/dbraw/zinc/01/61/30/564016130.db2.gz NXXUTEKIASANAB-OAHLLOKOSA-N 0 3 335.469 3.586 40 0 EHABHN C[C@H](O)c1ccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)cc1 ZINC000022108711 564034269 /nfs/dbraw/zinc/03/42/69/564034269.db2.gz WNXUVCSZBVBDCJ-YWZLYKJASA-N 0 3 337.419 3.823 40 0 EHABHN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3ccncc3)C2)n1 ZINC000257279313 564054586 /nfs/dbraw/zinc/05/45/86/564054586.db2.gz OGAKEWQIIGAXBZ-SFHVURJKSA-N 0 3 348.450 3.813 40 0 EHABHN CC[C@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C)n1 ZINC000328964113 564070966 /nfs/dbraw/zinc/07/09/66/564070966.db2.gz BTCNUEGJIFRFBQ-ZDUSSCGKSA-N 0 3 326.444 3.567 40 0 EHABHN CCN(CC)Cc1cc(Br)ccc1Oc1ncccn1 ZINC000575422128 564079186 /nfs/dbraw/zinc/07/91/86/564079186.db2.gz FVYSAHPHJXTHPE-UHFFFAOYSA-N 0 3 336.233 3.873 40 0 EHABHN CN(C)CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 ZINC000019583305 212047210 /nfs/dbraw/zinc/04/72/10/212047210.db2.gz ZQLHPLDUZJSANY-UHFFFAOYSA-N 0 3 345.805 3.621 40 0 EHABHN C[C@@H]1CCc2c(sc3nc(C(C)(C)C)nc(N4CCNCC4)c23)C1 ZINC000004910656 210320441 /nfs/dbraw/zinc/32/04/41/210320441.db2.gz PIIXAPBAWUQZCF-GFCCVEGCSA-N 0 3 344.528 3.523 40 0 EHABHN CCOc1ccc2[nH]c(C)c(CN3CCCC[C@H]3CC)c(=O)c2c1 ZINC000000948999 563366408 /nfs/dbraw/zinc/36/64/08/563366408.db2.gz XUEDCICPHLYDKR-OAHLLOKOSA-N 0 3 328.456 4.000 40 0 EHABHN CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000019362664 563855839 /nfs/dbraw/zinc/85/58/39/563855839.db2.gz WEYVCQFUGFRXOM-UHFFFAOYSA-N 0 3 339.508 3.927 40 0 world EHABHN Cc1nc([C@@H]2C[C@@H]3CCN(Cc4cccc5ccccc54)C[C@H]3O2)no1 ZINC000096046414 563978086 /nfs/dbraw/zinc/97/80/86/563978086.db2.gz KRJVBHFXKNIJND-FFZOFVMBSA-N 0 3 349.434 3.883 40 0 EHABHN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054594 563978706 /nfs/dbraw/zinc/97/87/06/563978706.db2.gz DXSBUYCZZPYIQT-JQHSSLGASA-N 0 3 342.439 3.554 40 0 EHABHN c1csc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106080 563979250 /nfs/dbraw/zinc/97/92/50/563979250.db2.gz OQBGMIYQGFRIKZ-KRWDZBQOSA-N 0 3 344.480 3.593 40 0 EHABHN CCO[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096241837 563980555 /nfs/dbraw/zinc/98/05/55/563980555.db2.gz MSHGQDJNNMWQBM-HXUWFJFHSA-N 0 3 339.483 3.744 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)NCc3ccccc3C)CC2)c1 ZINC000009063014 564016574 /nfs/dbraw/zinc/01/65/74/564016574.db2.gz IBHHDOMIRNSDII-UHFFFAOYSA-N 0 3 336.479 3.832 40 0 EHABHN CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225650168 564048998 /nfs/dbraw/zinc/04/89/98/564048998.db2.gz JQAFXIPRPGLKAD-FQEVSTJZSA-N 0 3 348.487 3.695 40 0 EHABHN CN1CCC(N2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296352 564055007 /nfs/dbraw/zinc/05/50/07/564055007.db2.gz RCJRTGKRQNAIRS-LJQANCHMSA-N 0 3 343.446 3.636 40 0 EHABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cscn1 ZINC000257308255 564055200 /nfs/dbraw/zinc/05/52/00/564055200.db2.gz TWBYNXVUIANOMD-OKZBNKHCSA-N 0 3 341.480 3.583 40 0 EHABHN Cc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269384 564146206 /nfs/dbraw/zinc/14/62/06/564146206.db2.gz NSCLPRJRMDBYLZ-IBGZPJMESA-N 0 3 333.435 3.547 40 0 biogenic,in-vitro EHABHN O=C(C1CCCC1)N1C[C@@H]2CCCCN(Cc3cccs3)[C@@H]2C1 ZINC000072330639 216155413 /nfs/dbraw/zinc/15/54/13/216155413.db2.gz WXCOREGQRFIJLD-FUHWJXTLSA-N 0 3 332.513 3.751 40 0 EHABHN CN1CC[C@H](c2c3ccccc3sc2C(=O)NC2(C)CCC2)C1 ZINC000072352601 216163054 /nfs/dbraw/zinc/16/30/54/216163054.db2.gz IDWRRYXNOQIPFU-ZDUSSCGKSA-N 0 3 328.481 3.993 40 0 EHABHN COc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000072378694 216181837 /nfs/dbraw/zinc/18/18/37/216181837.db2.gz LHPRIICSQIXILS-IBGZPJMESA-N 0 3 334.423 3.613 40 0 EHABHN Cc1cnc([C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)s1 ZINC000257245025 244254901 /nfs/dbraw/zinc/25/49/01/244254901.db2.gz INVABXNQKBGMFD-KRWDZBQOSA-N 0 3 343.496 3.533 40 0 EHABHN CS[C@H]1CCCCCCCC[C@H]2COC[C@@H]2[C@@H]1N1CCOCC1 ZINC000020111419 212102282 /nfs/dbraw/zinc/10/22/82/212102282.db2.gz BAGWWHWHYXXQCV-VJANTYMQSA-N 0 3 341.561 3.816 40 0 EHABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccccn1 ZINC000257248303 244262217 /nfs/dbraw/zinc/26/22/17/244262217.db2.gz JDAQVHXDNYXYON-JBACZVJFSA-N 0 3 349.478 3.564 40 0 EHABHN Cc1cccc(C2(O)CCN(Cc3ccccc3-n3cccn3)CC2)c1 ZINC000012328802 211348540 /nfs/dbraw/zinc/34/85/40/211348540.db2.gz QRHOTTOZKMCLAD-UHFFFAOYSA-N 0 3 347.462 3.664 40 0 EHABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(Cl)c(Cl)c2)on1 ZINC000012366564 211357266 /nfs/dbraw/zinc/35/72/66/211357266.db2.gz LREHOHDDBZUMLB-MLGOLLRUSA-N 0 3 341.238 3.637 40 0 EHABHN c1csc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585104414 563971606 /nfs/dbraw/zinc/97/16/06/563971606.db2.gz IEFUGNSCPWWULJ-QGZVFWFLSA-N 0 3 335.513 3.936 40 0 EHABHN O=C(c1cccs1)N1CCC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096046556 563978124 /nfs/dbraw/zinc/97/81/24/563978124.db2.gz SRUICLYTNYTANR-UHFFFAOYSA-N 0 3 346.521 3.938 40 0 EHABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)o1 ZINC000096050863 563978467 /nfs/dbraw/zinc/97/84/67/563978467.db2.gz LQGNXUNGMQBUDQ-SFHVURJKSA-N 0 3 330.453 3.587 40 0 EHABHN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 ZINC000096061431 563978900 /nfs/dbraw/zinc/97/89/00/563978900.db2.gz ATHBREHGDHGTNP-SFHVURJKSA-N 0 3 340.492 3.729 40 0 EHABHN Cc1ccsc1CN1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070607 563978975 /nfs/dbraw/zinc/97/89/75/563978975.db2.gz WJWSWQRMTOIPKG-RRFJBIMHSA-N 0 3 345.468 3.669 40 0 EHABHN Cc1nc(COC[C@@]23CCC[C@@H]2CN(Cc2cccnc2)C3)cs1 ZINC000096111028 563979325 /nfs/dbraw/zinc/97/93/25/563979325.db2.gz VQVNILFHMWGYON-MJGOQNOKSA-N 0 3 343.496 3.665 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980303 /nfs/dbraw/zinc/98/03/03/563980303.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 0 3 328.456 3.978 40 0 EHABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cc1 ZINC000096216652 563980340 /nfs/dbraw/zinc/98/03/40/563980340.db2.gz VFXBYIJWMFHSBX-OAQYLSRUSA-N 0 3 337.467 3.583 40 0 EHABHN C[C@H](CCCN1CCOCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000031613818 563998211 /nfs/dbraw/zinc/99/82/11/563998211.db2.gz JMIGWKCOYPUJEP-CQSZACIVSA-N 0 3 333.863 3.801 40 0 EHABHN CC(C)(C)c1nnc([C@H]2CCN(Cc3cnc4ccccc4c3)C2)o1 ZINC000049170608 564032611 /nfs/dbraw/zinc/03/26/11/564032611.db2.gz LIKKUJDYEDEMGC-INIZCTEOSA-N 0 3 336.439 3.905 40 0 biogenic,in-vitro EHABHN COc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000029904300 564049725 /nfs/dbraw/zinc/04/97/25/564049725.db2.gz JDNYPYFUNPVVQH-UHFFFAOYSA-N 0 3 338.451 3.854 40 0 EHABHN CO[C@H]1CCCOC12CCN(Cc1c(C)[nH]c3ccc(F)cc31)CC2 ZINC000257298461 564055024 /nfs/dbraw/zinc/05/50/24/564055024.db2.gz RLSYRZPQVKLKKQ-IBGZPJMESA-N 0 3 346.446 3.775 40 0 EHABHN CNc1cccc(CC[C@H]2CCCCN2Cc2scnc2C)n1 ZINC000257302107 564055087 /nfs/dbraw/zinc/05/50/87/564055087.db2.gz SBOMVIBNZZAMGX-MRXNPFEDSA-N 0 3 330.501 3.876 40 0 EHABHN c1coc(CN2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)c1 ZINC000306132140 564062136 /nfs/dbraw/zinc/06/21/36/564062136.db2.gz KZZSDZCQYUTEDL-GOSISDBHSA-N 0 3 325.437 3.752 40 0 EHABHN CC[C@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)n1 ZINC000328975448 564071120 /nfs/dbraw/zinc/07/11/20/564071120.db2.gz FKOMKYHTCLJQNL-KBPBESRZSA-N 0 3 340.471 3.611 40 0 EHABHN COc1ccc(OC)c([C@H]2CCCN2C[C@@H](O)c2ccccc2)c1 ZINC000016352407 564177021 /nfs/dbraw/zinc/17/70/21/564177021.db2.gz ZGSJHDUHKWWBFB-RTBURBONSA-N 0 3 327.424 3.574 40 0 EHABHN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038835081 213228720 /nfs/dbraw/zinc/22/87/20/213228720.db2.gz VIPJPXOKWALQGW-INIZCTEOSA-N 0 3 342.414 3.685 40 0 EHABHN Cc1ccc2oc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446503 213028862 /nfs/dbraw/zinc/02/88/62/213028862.db2.gz JTKBQYJHIPZJQZ-HNNXBMFYSA-N 0 3 336.391 3.854 40 0 biogenic,in-vitro EHABHN c1ccc(CCN2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1 ZINC000072376234 216178471 /nfs/dbraw/zinc/17/84/71/216178471.db2.gz JHWSFZBWNTYAFM-IBGZPJMESA-N 0 3 345.450 3.995 40 0 EHABHN Fc1ccc(Oc2cncc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072384259 216185669 /nfs/dbraw/zinc/18/56/69/216185669.db2.gz WGKIOWXGOQSYCG-GOSISDBHSA-N 0 3 343.402 3.724 40 0 EHABHN COc1c(Cl)cc(Cl)cc1CNC[C@@H](O)c1ccccc1 ZINC000022074796 212275781 /nfs/dbraw/zinc/27/57/81/212275781.db2.gz SVQJPDQLOBRMGP-OAHLLOKOSA-N 0 3 326.223 3.825 40 0 EHABHN Cc1cncc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241340 244244752 /nfs/dbraw/zinc/24/47/52/244244752.db2.gz HXRXVMKGHYTYOF-QGZVFWFLSA-N 0 3 333.439 3.555 40 0 EHABHN c1ccc([C@@H]2CCCN(Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369956 212023081 /nfs/dbraw/zinc/02/30/81/212023081.db2.gz FAPXUJBGSISSIZ-LJQANCHMSA-N 0 3 330.435 3.918 40 0 EHABHN CCCn1ncc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c1C ZINC000012133382 211301139 /nfs/dbraw/zinc/30/11/39/211301139.db2.gz HUCWZEJIGYQIAO-UHFFFAOYSA-N 0 3 337.471 3.857 40 0 EHABHN Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072219614 257686568 /nfs/dbraw/zinc/68/65/68/257686568.db2.gz GHFLHNDZNPBCJE-FQEVSTJZSA-N 0 3 337.467 3.564 40 0 EHABHN CCOc1cc(CN[C@H](CC)CO)ccc1OCc1ccccc1 ZINC000008337087 563627521 /nfs/dbraw/zinc/62/75/21/563627521.db2.gz KPCULODWBBTYEA-GOSISDBHSA-N 0 3 329.440 3.525 40 0 EHABHN CC[C@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008337122 563627548 /nfs/dbraw/zinc/62/75/48/563627548.db2.gz SYNWNJLMFGJBPI-QGZVFWFLSA-N 0 3 349.858 3.788 40 0 EHABHN Cc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000046103175 563929447 /nfs/dbraw/zinc/92/94/47/563929447.db2.gz ABUAGNCXMZDIAC-UHFFFAOYSA-N 0 3 339.508 3.730 40 0 EHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000257330094 563970619 /nfs/dbraw/zinc/97/06/19/563970619.db2.gz XMTNOSDZYDYGKA-MBOZVWFJSA-N 0 3 343.515 3.797 40 0 EHABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048743 563978358 /nfs/dbraw/zinc/97/83/58/563978358.db2.gz PGCPLEKOECIORY-LJQANCHMSA-N 0 3 344.455 3.906 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096048251 563978381 /nfs/dbraw/zinc/97/83/81/563978381.db2.gz DPHIXUKXHVKHPN-PKOBYXMFSA-N 0 3 344.480 3.654 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)o1 ZINC000096050570 563978430 /nfs/dbraw/zinc/97/84/30/563978430.db2.gz VDBOJIMCTRWGRT-OAQYLSRUSA-N 0 3 338.451 3.521 40 0 EHABHN FC1(F)CCN(Cc2ccsc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051126 563978523 /nfs/dbraw/zinc/97/85/23/563978523.db2.gz RCIRRBSPFNUFDV-QGZVFWFLSA-N 0 3 349.450 3.881 40 0 EHABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215872 563980316 /nfs/dbraw/zinc/98/03/16/563980316.db2.gz RFZRQIIELBVARG-GOSISDBHSA-N 0 3 331.485 3.533 40 0 EHABHN Cc1ccccc1NC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 ZINC000096261356 563980660 /nfs/dbraw/zinc/98/06/60/563980660.db2.gz HWZWQGAITGKJKA-UXHICEINSA-N 0 3 337.467 3.774 40 0 EHABHN CC(=O)NCc1cccc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257332567 564055626 /nfs/dbraw/zinc/05/56/26/564055626.db2.gz XXWPFDNHXZXDIV-OAQYLSRUSA-N 0 3 348.450 3.536 40 0 EHABHN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(CC2CCCCC2)C1 ZINC000015674908 564070537 /nfs/dbraw/zinc/07/05/37/564070537.db2.gz CQDGOWMPOOFBMD-SJORKVTESA-N 0 3 345.418 3.564 40 0 biogenic,in-vitro EHABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000095533720 564141699 /nfs/dbraw/zinc/14/16/99/564141699.db2.gz TVRMGGHNFFJZHE-AWEZNQCLSA-N 0 3 348.328 3.547 40 0 EHABHN CN1CCC(OC(=O)C(Cl)(c2ccccc2)c2ccccc2)CC1 ZINC000067665340 215177503 /nfs/dbraw/zinc/17/75/03/215177503.db2.gz GTBMJPGBWMJLAY-UHFFFAOYSA-N 0 3 343.854 3.806 40 0 in-vitro EHABHN O=C1C(c2ccccc2)N(c2ccccc2)C(=O)[C@@H]1CN1CCCC1 ZINC000104269458 219368525 /nfs/dbraw/zinc/36/85/25/219368525.db2.gz OFEASNCDEQSCSK-GOSISDBHSA-N 0 3 334.419 3.672 40 0 EHABHN CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072379065 216180190 /nfs/dbraw/zinc/18/01/90/216180190.db2.gz GQGPIJRMKWJHAL-GOSISDBHSA-N 0 3 347.466 3.604 40 0 EHABHN Fc1ccc(Oc2cncc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072384258 216185516 /nfs/dbraw/zinc/18/55/16/216185516.db2.gz WGKIOWXGOQSYCG-SFHVURJKSA-N 0 3 343.402 3.724 40 0 EHABHN CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225730107 242008329 /nfs/dbraw/zinc/00/83/29/242008329.db2.gz MLCWSIJXDOOUBR-HXUWFJFHSA-N 0 3 348.487 3.695 40 0 EHABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1cnc(-c2ccccc2)nc1 ZINC000257252195 244272815 /nfs/dbraw/zinc/27/28/15/244272815.db2.gz JTWNOURRFCHHKB-GOSISDBHSA-N 0 3 333.439 3.902 40 0 EHABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc21 ZINC000257270152 244373082 /nfs/dbraw/zinc/37/30/82/244373082.db2.gz MSZGGKPSQMFKNL-YNFBMLRVSA-N 0 3 349.478 3.712 40 0 EHABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cccnc1 ZINC000019590196 212049355 /nfs/dbraw/zinc/04/93/55/212049355.db2.gz WROKQPMXFVXEID-NJDAHSKKSA-N 0 3 349.478 3.564 40 0 EHABHN CN(C)CCN(Cc1cccs1)CC1=Cc2ccccc2OC1 ZINC000019582658 212047362 /nfs/dbraw/zinc/04/73/62/212047362.db2.gz HUDOMHSOFULODC-UHFFFAOYSA-N 0 3 328.481 3.588 40 0 EHABHN Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000019563202 212044443 /nfs/dbraw/zinc/04/44/43/212044443.db2.gz SGQYTKBMAFDGCA-UHFFFAOYSA-N 0 3 340.452 3.881 40 0 EHABHN C[C@H]1CCCCN1CC(C)(C)NC(=O)c1cc(-c2cccs2)on1 ZINC000019496360 212031939 /nfs/dbraw/zinc/03/19/39/212031939.db2.gz XTRSLEARKFBKTN-ZDUSSCGKSA-N 0 3 347.484 3.786 40 0 EHABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362938 211355458 /nfs/dbraw/zinc/35/54/58/211355458.db2.gz VSFDQGYMQOQTAE-INIZCTEOSA-N 0 3 345.462 3.539 40 0 EHABHN OCCCn1cc(CNC2(c3cccc(F)c3)CC2)c2ccccc21 ZINC000012361994 211355179 /nfs/dbraw/zinc/35/51/79/211355179.db2.gz NZCBOPOSZHGTJE-UHFFFAOYSA-N 0 3 338.426 3.942 40 0 EHABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCC[C@@H](C)C1 ZINC000225714424 535545381 /nfs/dbraw/zinc/54/53/81/535545381.db2.gz LFLBFALXLKGSKE-UZLBHIALSA-N 0 3 348.487 3.551 40 0 EHABHN O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000000001910 563211344 /nfs/dbraw/zinc/21/13/44/563211344.db2.gz FEFFZKPQSVTBAY-UHFFFAOYSA-N 0 3 341.426 3.772 40 0 in-vitro EHABHN CCN(CC)CCOC(=O)[C@H]1CCCC[C@H]1C(=O)C1CCCCC1 ZINC000006382270 563566535 /nfs/dbraw/zinc/56/65/35/563566535.db2.gz GCSXQKJRCSGYPB-MSOLQXFVSA-N 0 3 337.504 3.827 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)co1 ZINC000585105165 563971575 /nfs/dbraw/zinc/97/15/75/563971575.db2.gz PIIGTHSNDXHTBO-SFHVURJKSA-N 0 3 342.439 3.515 40 0 EHABHN Cc1ncsc1CN1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096111040 563979286 /nfs/dbraw/zinc/97/92/86/563979286.db2.gz CBXZOCSLLNJLJR-MJGOQNOKSA-N 0 3 343.496 3.665 40 0 EHABHN Cc1ccncc1COC[C@@]12CCC[C@@H]1CN(Cc1ccccn1)C2 ZINC000096206329 563980157 /nfs/dbraw/zinc/98/01/57/563980157.db2.gz SQQZFUIVSRLSOA-CTNGQTDRSA-N 0 3 337.467 3.604 40 0 EHABHN Cc1ccsc1CN1CCC2(CC[C@@H](c3nc(C)no3)O2)CC1 ZINC000096219215 563980416 /nfs/dbraw/zinc/98/04/16/563980416.db2.gz JXIYZQSZTSJTIM-AWEZNQCLSA-N 0 3 333.457 3.634 40 0 EHABHN CC(C)C(=O)N1C[C@H]2CN(CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244862 563980551 /nfs/dbraw/zinc/98/05/51/563980551.db2.gz ZMBLHFXFTKSPET-IFMALSPDSA-N 0 3 348.490 3.617 40 0 EHABHN Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccccc2F)[C@H]1O ZINC000585289281 563982006 /nfs/dbraw/zinc/98/20/06/563982006.db2.gz OZDXZZOVLMJZLW-DFQSSKMNSA-N 0 3 329.415 3.585 40 0 EHABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1cccs1 ZINC000008254746 564016005 /nfs/dbraw/zinc/01/60/05/564016005.db2.gz NBBFJKGVFWHOND-INIZCTEOSA-N 0 3 347.480 3.994 40 0 EHABHN O[C@H](CN1CCC[C@H](COc2ccc(F)cc2)C1)c1cccs1 ZINC000036743825 213115891 /nfs/dbraw/zinc/11/58/91/213115891.db2.gz YEDVRDIEBWBOLX-WMLDXEAASA-N 0 3 335.444 3.712 40 0 EHABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446599 213029179 /nfs/dbraw/zinc/02/91/79/213029179.db2.gz VREBLQOOFYXCOJ-LBPRGKRZSA-N 0 3 331.341 3.970 40 0 biogenic,in-vitro EHABHN C[C@H](NCc1cc(-c2ccccc2)cn2nnnc12)c1cccs1 ZINC000072392387 216191609 /nfs/dbraw/zinc/19/16/09/216191609.db2.gz VYGLHJCVTGZZOH-ZDUSSCGKSA-N 0 3 335.436 3.704 40 0 EHABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(Cl)c(Cl)c1 ZINC000022913781 212333410 /nfs/dbraw/zinc/33/34/10/212333410.db2.gz CSCYDNUDYZZEEU-UHFFFAOYSA-N 0 3 338.282 3.952 40 0 EHABHN CN1CCC(Oc2ccc(NC(=O)NC3CCCCC3)cc2)CC1 ZINC000225757974 242021466 /nfs/dbraw/zinc/02/14/66/242021466.db2.gz ASNUYFIZVHATQO-UHFFFAOYSA-N 0 3 331.460 3.614 40 0 EHABHN CN1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257224016 244194635 /nfs/dbraw/zinc/19/46/35/244194635.db2.gz DZXWBBBBKKOZNX-OAHLLOKOSA-N 0 3 329.444 3.550 40 0 EHABHN Cc1cc(C)n(CCCN(C)Cc2cnn(-c3ccc(C)cc3)c2)n1 ZINC000019719791 212057183 /nfs/dbraw/zinc/05/71/83/212057183.db2.gz ICLMZKIMJAFNLW-UHFFFAOYSA-N 0 3 337.471 3.516 40 0 EHABHN Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Br ZINC000005000516 210356218 /nfs/dbraw/zinc/35/62/18/210356218.db2.gz OEMAMHMFZNHULL-UHFFFAOYSA-N 0 3 339.277 3.961 40 0 EHABHN CC1SC(=N)N(c2ncc(Cc3ccccc3Cl)s2)C1=O ZINC000005001302 210356826 /nfs/dbraw/zinc/35/68/26/210356826.db2.gz AEJTVKFGWPEVNY-QMMMGPOBSA-N 0 3 337.857 3.790 40 0 EHABHN CCCCCNCC(=O)Nc1ccc(C(=O)OCCCCC)cc1 ZINC000004792045 210278197 /nfs/dbraw/zinc/27/81/97/210278197.db2.gz MSQKACYLCKHUSF-UHFFFAOYSA-N 0 3 334.460 3.752 40 0 EHABHN CN(C)C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934886 221205885 /nfs/dbraw/zinc/20/58/85/221205885.db2.gz JZXWQNLDFVFNTR-MSBDTSEGSA-N 0 3 345.527 3.667 40 0 EHABHN CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000008326289 563626877 /nfs/dbraw/zinc/62/68/77/563626877.db2.gz NJGPHHGTSGQFDU-INIZCTEOSA-N 0 3 349.858 3.788 40 0 EHABHN CN1CCC(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000074921047 563967038 /nfs/dbraw/zinc/96/70/38/563967038.db2.gz NEURVCPDMRYARS-UHFFFAOYSA-N 0 3 338.451 3.936 40 0 EHABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)o1 ZINC000096049416 563978464 /nfs/dbraw/zinc/97/84/64/563978464.db2.gz NEBYDFNYXLUVEQ-UHFFFAOYSA-N 0 3 338.451 3.745 40 0 EHABHN Cc1cccc(CN2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000096087431 563979147 /nfs/dbraw/zinc/97/91/47/563979147.db2.gz NGJOMPWCGAIAJZ-OAQYLSRUSA-N 0 3 348.490 3.976 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)s1 ZINC000096199589 563980099 /nfs/dbraw/zinc/98/00/99/563980099.db2.gz XGOAXWXMNBVDHR-SFHVURJKSA-N 0 3 340.492 3.695 40 0 EHABHN c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216249 563985486 /nfs/dbraw/zinc/98/54/86/563985486.db2.gz OQFIYKSUWYUJNN-FQEVSTJZSA-N 0 3 337.467 3.645 40 0 EHABHN C[C@H](O)c1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)cc1 ZINC000022108699 564034251 /nfs/dbraw/zinc/03/42/51/564034251.db2.gz WNXUVCSZBVBDCJ-MGPUTAFESA-N 0 3 337.419 3.823 40 0 EHABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3)C[C@H]21 ZINC000248120008 564052974 /nfs/dbraw/zinc/05/29/74/564052974.db2.gz MXPXKLFLAOYKER-MISYRCLQSA-N 0 3 338.451 3.652 40 0 EHABHN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccncc3)C2)n1 ZINC000257279312 564054626 /nfs/dbraw/zinc/05/46/26/564054626.db2.gz OGAKEWQIIGAXBZ-GOSISDBHSA-N 0 3 348.450 3.813 40 0 EHABHN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NC1CCN(Cc2ccccc2)CC1 ZINC000068927202 215347140 /nfs/dbraw/zinc/34/71/40/215347140.db2.gz FTBNMFHXAHSKOZ-IPMKNSEASA-N 0 3 326.484 3.594 40 0 EHABHN Fc1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378645 216180554 /nfs/dbraw/zinc/18/05/54/216180554.db2.gz XSMJLORTTPPSQU-KRWDZBQOSA-N 0 3 336.414 3.786 40 0 EHABHN Clc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389912 216189586 /nfs/dbraw/zinc/18/95/86/216189586.db2.gz NZZZRXSRLRHTTG-OAHLLOKOSA-N 0 3 340.814 3.775 40 0 EHABHN Fc1ccccc1CN1CC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019348838 212020048 /nfs/dbraw/zinc/02/00/48/212020048.db2.gz OABYAYOXLKKKQK-CYBMUJFWSA-N 0 3 329.400 3.927 40 0 EHABHN c1csc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019341476 212017630 /nfs/dbraw/zinc/01/76/30/212017630.db2.gz CJOSPKHTDSKSFE-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN C[C@@H]1Cc2cc(CN3CCC(O)(c4ccc(F)cc4)CC3)ccc2O1 ZINC000012363603 211355945 /nfs/dbraw/zinc/35/59/45/211355945.db2.gz UHKGKNZWYHKNRY-OAHLLOKOSA-N 0 3 341.426 3.633 40 0 EHABHN COc1ccc2cc(CN(CCO)Cc3cccs3)ccc2c1 ZINC000012327152 211348828 /nfs/dbraw/zinc/34/88/28/211348828.db2.gz DSTKJMRVRLSXND-UHFFFAOYSA-N 0 3 327.449 3.904 40 0 EHABHN CN(C)CCOc1ccccc1Cc1ccc(Br)cc1 ZINC000001586337 563394679 /nfs/dbraw/zinc/39/46/79/563394679.db2.gz HNAGTWAXQILFLK-UHFFFAOYSA-N 0 3 334.257 3.980 40 0 EHABHN CC[C@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008337056 563627177 /nfs/dbraw/zinc/62/71/77/563627177.db2.gz FHBXMYORIMAJEK-QGZVFWFLSA-N 0 3 349.858 3.788 40 0 EHABHN Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@@H]3C2)o1 ZINC000096054596 563978682 /nfs/dbraw/zinc/97/86/82/563978682.db2.gz DXSBUYCZZPYIQT-CGTJXYLNSA-N 0 3 342.439 3.554 40 0 EHABHN COc1ccc(C[C@H]2CN(Cc3scnc3C)CC[C@@H]2OC)cc1 ZINC000096110577 563979282 /nfs/dbraw/zinc/97/92/82/563979282.db2.gz MXHPXODEVMWDTF-WMZOPIPTSA-N 0 3 346.496 3.540 40 0 EHABHN O=C(C1CCC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096158410 563979770 /nfs/dbraw/zinc/97/97/70/563979770.db2.gz XBDFVXVAMGEIRQ-UHFFFAOYSA-N 0 3 344.474 3.830 40 0 EHABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585270082 563981388 /nfs/dbraw/zinc/98/13/88/563981388.db2.gz DTQHXHOQXHWMNH-OAQYLSRUSA-N 0 3 336.435 3.574 40 0 EHABHN CC[C@H](C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)n1 ZINC000328975450 564071104 /nfs/dbraw/zinc/07/11/04/564071104.db2.gz FKOMKYHTCLJQNL-UONOGXRCSA-N 0 3 340.471 3.611 40 0 EHABHN O=C(OCc1ccccc1)N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000575447510 564079794 /nfs/dbraw/zinc/07/97/94/564079794.db2.gz AUGRQMMVNGVQLT-WOJBJXKFSA-N 0 3 336.435 3.530 40 0 EHABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095533740 564141644 /nfs/dbraw/zinc/14/16/44/564141644.db2.gz VVXNSBURJHBTHJ-QGZVFWFLSA-N 0 3 336.439 3.826 40 0 EHABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@]1(O)CCC[C@H](C)C1 ZINC000004683105 210246060 /nfs/dbraw/zinc/24/60/60/210246060.db2.gz PKMGAMIZEJERMX-FBBABVLZSA-N 0 3 347.499 3.596 40 0 EHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 ZINC000100750224 219106182 /nfs/dbraw/zinc/10/61/82/219106182.db2.gz XMTNOSDZYDYGKA-FUHIMQAGSA-N 0 3 343.515 3.797 40 0 EHABHN COc1ccccc1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809700 219106943 /nfs/dbraw/zinc/10/69/43/219106943.db2.gz HVINDOBAFOMWHY-IYBDPMFKSA-N 0 3 334.460 3.621 40 0 EHABHN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000038858270 213228094 /nfs/dbraw/zinc/22/80/94/213228094.db2.gz PESFOBBSKWJSFO-LJQANCHMSA-N 0 3 336.435 3.740 40 0 EHABHN Fc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225742709 242014095 /nfs/dbraw/zinc/01/40/95/242014095.db2.gz VSEWCLBKPOLQRC-UHFFFAOYSA-N 0 3 343.471 3.561 40 0 EHABHN O=C(c1ccsc1)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1 ZINC000257243326 244251582 /nfs/dbraw/zinc/25/15/82/244251582.db2.gz IGKKHZGROKQHBR-GOSISDBHSA-N 0 3 341.480 3.716 40 0 EHABHN CN1CCC2(CC1)CN(Cc1cccs1)Cc1ccccc1O2 ZINC000019588434 212048756 /nfs/dbraw/zinc/04/87/56/212048756.db2.gz RFKVIBDHWZXRHF-UHFFFAOYSA-N 0 3 328.481 3.607 40 0 EHABHN C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(C)CC1 ZINC000012223518 211325677 /nfs/dbraw/zinc/32/56/77/211325677.db2.gz QUTTUHHKTLFVPP-CYBMUJFWSA-N 0 3 343.393 3.947 40 0 EHABHN Cc1ccsc1CN(Cc1c[nH]nc1-c1ccccc1)C[C@@H](C)O ZINC000012147044 211306301 /nfs/dbraw/zinc/30/63/01/211306301.db2.gz WZIVICRJRAVLEV-OAHLLOKOSA-N 0 3 341.480 3.830 40 0 EHABHN Cc1ccc(C(=O)N2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)o1 ZINC000096051592 218541948 /nfs/dbraw/zinc/54/19/48/218541948.db2.gz MVPQXXUPMJQDTA-SFHVURJKSA-N 0 3 342.439 3.698 40 0 EHABHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccccc1 ZINC000008254605 563625116 /nfs/dbraw/zinc/62/51/16/563625116.db2.gz VFEKDVRZMSUCAQ-UHFFFAOYSA-N 0 3 329.440 3.525 40 0 EHABHN CC(C)CN1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101820 563971448 /nfs/dbraw/zinc/97/14/48/563971448.db2.gz HLXMPNATYQRNJT-GOSISDBHSA-N 0 3 338.854 3.816 40 0 EHABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)s1 ZINC000096100244 563979208 /nfs/dbraw/zinc/97/92/08/563979208.db2.gz DGAMSUDTXBSPRG-SFHVURJKSA-N 0 3 340.492 3.852 40 0 EHABHN Fc1cccc(CN2CC[C@]3(C2)CCCN(Cc2nccs2)C3)c1 ZINC000096215809 563980282 /nfs/dbraw/zinc/98/02/82/563980282.db2.gz WILAZDUQWKHPQA-LJQANCHMSA-N 0 3 345.487 3.770 40 0 EHABHN CN(Cc1ccc(OCc2ccccn2)cc1)C[C@H](O)c1ccccc1 ZINC000257343217 563999658 /nfs/dbraw/zinc/99/96/58/563999658.db2.gz ZRYFMUPVGTTZOK-QFIPXVFZSA-N 0 3 348.446 3.826 40 0 EHABHN Cc1cccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009062736 564016545 /nfs/dbraw/zinc/01/65/45/564016545.db2.gz ASNXVBJEQVWXMD-UHFFFAOYSA-N 0 3 340.442 3.663 40 0 EHABHN c1coc(-c2nnc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)o2)c1 ZINC000049169469 564032538 /nfs/dbraw/zinc/03/25/38/564032538.db2.gz GPWJCAKQGZLRSY-INIZCTEOSA-N 0 3 346.390 3.867 40 0 biogenic,in-vitro EHABHN CN1C[C@H]2N(Cc3ccsc3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306143716 564062364 /nfs/dbraw/zinc/06/23/64/564062364.db2.gz YKHGBASRRORODF-UYAOXDASSA-N 0 3 340.492 3.513 40 0 EHABHN CC(C)(C)c1[nH]c2ncccc2c1CN1CCN2CCCC[C@H]2C1 ZINC000248199003 564124554 /nfs/dbraw/zinc/12/45/54/564124554.db2.gz SYCQOPTYMGTNAF-HNNXBMFYSA-N 0 3 326.488 3.531 40 0 EHABHN O[C@@H](CN1CCC[C@H](COc2ccccc2F)C1)c1cccs1 ZINC000036734331 213114286 /nfs/dbraw/zinc/11/42/86/213114286.db2.gz QCNGGSIXHAHXHM-HOCLYGCPSA-N 0 3 335.444 3.712 40 0 EHABHN FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4cccnc4)C3)nc2c1 ZINC000035446702 213029030 /nfs/dbraw/zinc/02/90/30/213029030.db2.gz NAQRYLBQJWTGAH-ZDUSSCGKSA-N 0 3 346.356 3.966 40 0 biogenic,in-vitro EHABHN COc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446754 213028306 /nfs/dbraw/zinc/02/83/06/213028306.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 0 3 343.377 3.839 40 0 biogenic,in-vitro EHABHN COc1ccc2nc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000035446754 213028310 /nfs/dbraw/zinc/02/83/10/213028310.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 0 3 343.377 3.839 40 0 biogenic,in-vitro EHABHN FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4ccncc4)C3)nc2c1 ZINC000035446705 213028327 /nfs/dbraw/zinc/02/83/27/213028327.db2.gz AIYYPDFZMOZYCY-ZDUSSCGKSA-N 0 3 346.356 3.966 40 0 biogenic,in-vitro EHABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)c1 ZINC000035290361 213018724 /nfs/dbraw/zinc/01/87/24/213018724.db2.gz JWBIMEKBVSHDJS-ZNXRZULTSA-N 0 3 329.513 3.829 40 0 EHABHN COc1c(C)cccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366771 216172247 /nfs/dbraw/zinc/17/22/47/216172247.db2.gz OHTUGUDILZUIKQ-IBGZPJMESA-N 0 3 348.450 3.921 40 0 EHABHN CCc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072378664 216181904 /nfs/dbraw/zinc/18/19/04/216181904.db2.gz VBOUGGBPGJGUSF-SFHVURJKSA-N 0 3 333.439 3.562 40 0 EHABHN CS[C@@H]1CCCCCCCC[C@H]2COC[C@@H]2[C@@H]1N1CCOCC1 ZINC000020111417 212102260 /nfs/dbraw/zinc/10/22/60/212102260.db2.gz BAGWWHWHYXXQCV-OKYOBFRVSA-N 0 3 341.561 3.816 40 0 EHABHN O=C(Nc1ccccc1CN1CCCCC1)c1ccn(C(F)F)n1 ZINC000019349086 212020239 /nfs/dbraw/zinc/02/02/39/212020239.db2.gz ZUFLLEGGEWZMHI-UHFFFAOYSA-N 0 3 334.370 3.516 40 0 EHABHN Cc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408611600 563498004 /nfs/dbraw/zinc/49/80/04/563498004.db2.gz UHGRKZAHYIIXBM-OAQYLSRUSA-N 0 3 334.463 3.658 40 0 EHABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000006356064 563565961 /nfs/dbraw/zinc/56/59/61/563565961.db2.gz WSEOTWCMPKAJSV-PXNSSMCTSA-N 0 3 339.479 3.998 40 0 EHABHN O=C(Cc1ccccc1F)NCc1ccccc1CN1CCCCC1 ZINC000007696807 563610867 /nfs/dbraw/zinc/61/08/67/563610867.db2.gz FWJPHTJJOQWQNB-UHFFFAOYSA-N 0 3 340.442 3.671 40 0 EHABHN CC(C)CN1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585101928 563971441 /nfs/dbraw/zinc/97/14/41/563971441.db2.gz LSGKVDWWEUMTIE-OAQYLSRUSA-N 0 3 337.467 3.571 40 0 EHABHN CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000585109336 563971686 /nfs/dbraw/zinc/97/16/86/563971686.db2.gz KIAIYSJTLHDETB-SLFFLAALSA-N 0 3 349.478 3.514 40 0 EHABHN OCCN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000095935036 563977796 /nfs/dbraw/zinc/97/77/96/563977796.db2.gz VLOIRQINEHZGIT-XZOQPEGZSA-N 0 3 347.458 3.956 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980396 /nfs/dbraw/zinc/98/03/96/563980396.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 0 3 328.456 3.978 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096221702 563980462 /nfs/dbraw/zinc/98/04/62/563980462.db2.gz XZDMJWQMZSTHJC-HXUWFJFHSA-N 0 3 338.451 3.593 40 0 EHABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccc(F)cc1 ZINC000585288703 563982075 /nfs/dbraw/zinc/98/20/75/563982075.db2.gz IEJGLFASZQVCSB-IPMKNSEASA-N 0 3 349.833 3.930 40 0 EHABHN Cc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@@H](C(C)(C)C)C3 ZINC000013564534 564020140 /nfs/dbraw/zinc/02/01/40/564020140.db2.gz GRSYENSKLBCVKD-CYBMUJFWSA-N 0 3 344.528 3.560 40 0 EHABHN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225622550 564048548 /nfs/dbraw/zinc/04/85/48/564048548.db2.gz NNDCECONVVSYBQ-LJQANCHMSA-N 0 3 336.476 3.551 40 0 EHABHN O[C@]1(CN2c3ccccc3Sc3ccccc32)CN2CCC1CC2 ZINC000044830521 564117945 /nfs/dbraw/zinc/11/79/45/564117945.db2.gz PNBTYAVTIJXSSH-FQEVSTJZSA-N 0 3 338.476 3.746 40 0 EHABHN c1c(CC2(NCC3CCCCC3)COC2)noc1-c1ccccc1 ZINC000067898013 215245969 /nfs/dbraw/zinc/24/59/69/215245969.db2.gz SWCGCBNXHYHGGY-UHFFFAOYSA-N 0 3 326.440 3.823 40 0 biogenic,in-vitro EHABHN Cc1ccc(-c2cc(C(F)(F)F)nc(NCCN(C)C)n2)s1 ZINC000036613517 213101619 /nfs/dbraw/zinc/10/16/19/213101619.db2.gz WOXHHABIEJZYHX-UHFFFAOYSA-N 0 3 330.379 3.506 40 0 EHABHN COc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072355490 216164306 /nfs/dbraw/zinc/16/43/06/216164306.db2.gz NSQDAIIUAOYYMH-SFHVURJKSA-N 0 3 334.423 3.613 40 0 EHABHN Cc1cccc(OCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369848 216177387 /nfs/dbraw/zinc/17/73/87/216177387.db2.gz GFKKZBDNNMBLLK-GOSISDBHSA-N 0 3 349.434 3.913 40 0 EHABHN CN(C)c1cccc(CC[C@H]2CCCCN2Cc2cncs2)n1 ZINC000257241769 244245803 /nfs/dbraw/zinc/24/58/03/244245803.db2.gz HZNIRTSXKUKJIE-MRXNPFEDSA-N 0 3 330.501 3.591 40 0 EHABHN CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019527188 212038396 /nfs/dbraw/zinc/03/83/96/212038396.db2.gz LKVAAVZFHDAWSA-IBGZPJMESA-N 0 3 327.447 3.707 40 0 EHABHN c1ccc(CCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019371244 212022318 /nfs/dbraw/zinc/02/23/18/212022318.db2.gz JGSZFBDGOFHOPG-UHFFFAOYSA-N 0 3 334.423 3.554 40 0 EHABHN O[C@@H](CN1CCC2(C=Cc3ccccc3O2)CC1)c1ccc(F)cc1 ZINC000012187989 211313777 /nfs/dbraw/zinc/31/37/77/211313777.db2.gz QYPSZQRUUKFIIA-IBGZPJMESA-N 0 3 339.410 3.800 40 0 EHABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000009876192 211130038 /nfs/dbraw/zinc/13/00/38/211130038.db2.gz GDDCPOIVCGVKDB-JTQLQIEISA-N 0 3 332.300 3.622 40 0 EHABHN CCNCc1cc(Br)cc(Br)c1OCC ZINC000008227200 563623896 /nfs/dbraw/zinc/62/38/96/563623896.db2.gz DYSZQZJQJWZYQK-UHFFFAOYSA-N 0 3 337.055 3.720 40 0 EHABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000006617328 563574702 /nfs/dbraw/zinc/57/47/02/563574702.db2.gz QJAWMQQAZFJDAY-GPQLQYNLSA-N 0 3 343.511 3.637 40 0 EHABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257219655 563967181 /nfs/dbraw/zinc/96/71/81/563967181.db2.gz DHPDZUDBBCOSQP-JFIYKMOQSA-N 0 3 331.504 3.653 40 0 EHABHN COCC[C@@H]1CCOC12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000585104962 563971592 /nfs/dbraw/zinc/97/15/92/563971592.db2.gz MUIKJJFEXXEJKM-GOSISDBHSA-N 0 3 340.467 3.642 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)o1 ZINC000096048740 563978343 /nfs/dbraw/zinc/97/83/43/563978343.db2.gz XNHXNTWOQSQUFA-SFHVURJKSA-N 0 3 330.453 3.669 40 0 EHABHN c1csc(CN2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057059 563978750 /nfs/dbraw/zinc/97/87/50/563978750.db2.gz NAOJBTKWWLSQQV-MJGOQNOKSA-N 0 3 344.480 3.593 40 0 EHABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058442 563978780 /nfs/dbraw/zinc/97/87/80/563978780.db2.gz MCCIKYFKNXEUPM-PMACEKPBSA-N 0 3 340.492 3.513 40 0 EHABHN COc1ccc(C[C@H]2CN(Cc3scnc3C)CC[C@H]2OC)cc1 ZINC000096110265 563979276 /nfs/dbraw/zinc/97/92/76/563979276.db2.gz MXHPXODEVMWDTF-FUHWJXTLSA-N 0 3 346.496 3.540 40 0 EHABHN COc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169336 564032544 /nfs/dbraw/zinc/03/25/44/564032544.db2.gz SGPKYPBONKIIEE-KRWDZBQOSA-N 0 3 335.407 3.735 40 0 biogenic,in-vitro EHABHN C[C@@H](O)c1ccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)cc1 ZINC000022108705 564034253 /nfs/dbraw/zinc/03/42/53/564034253.db2.gz WNXUVCSZBVBDCJ-QRWLVFNGSA-N 0 3 337.419 3.823 40 0 EHABHN CN1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257297212 564054998 /nfs/dbraw/zinc/05/49/98/564054998.db2.gz RGISPCRJFAUMNQ-UHFFFAOYSA-N 0 3 329.444 3.550 40 0 EHABHN COc1cccc(Cc2cnc([C@@H]3CCN(Cc4cccnc4)C3)o2)c1 ZINC000257343010 564055842 /nfs/dbraw/zinc/05/58/42/564055842.db2.gz ZRBHFKNYWXJOEY-GOSISDBHSA-N 0 3 349.434 3.659 40 0 EHABHN OCCCNCc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027986985 564073023 /nfs/dbraw/zinc/07/30/23/564073023.db2.gz UBARBHBDGHKPBF-UHFFFAOYSA-N 0 3 341.842 3.665 40 0 EHABHN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000038858273 213229218 /nfs/dbraw/zinc/22/92/18/213229218.db2.gz PESFOBBSKWJSFO-IBGZPJMESA-N 0 3 336.435 3.740 40 0 EHABHN COCCN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359356 216166269 /nfs/dbraw/zinc/16/62/69/216166269.db2.gz BONNLGYYEYUELX-UHFFFAOYSA-N 0 3 331.847 3.623 40 0 EHABHN COc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cc1 ZINC000072378696 216181950 /nfs/dbraw/zinc/18/19/50/216181950.db2.gz DRNOBJIIXCCZKN-HXUWFJFHSA-N 0 3 348.450 3.921 40 0 EHABHN COc1c(Cl)cc(Cl)cc1CNC[C@H](O)c1ccccc1 ZINC000022074798 212276736 /nfs/dbraw/zinc/27/67/36/212276736.db2.gz SVQJPDQLOBRMGP-HNNXBMFYSA-N 0 3 326.223 3.825 40 0 EHABHN Cc1nc(Nc2cc([C@H]3CCN(C(C)C)C3)nc(C)n2)sc1C ZINC000257221195 244184158 /nfs/dbraw/zinc/18/41/58/244184158.db2.gz DNXQLWPVXCXDPC-AWEZNQCLSA-N 0 3 331.489 3.800 40 0 EHABHN CN1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257232942 244219694 /nfs/dbraw/zinc/21/96/94/244219694.db2.gz GNBHUYHDZMDQJE-KRWDZBQOSA-N 0 3 333.439 3.503 40 0 EHABHN Fc1cccc(C[C@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)c1 ZINC000257237970 244235588 /nfs/dbraw/zinc/23/55/88/244235588.db2.gz HJAZOTILPBYWIL-FQEVSTJZSA-N 0 3 340.442 3.835 40 0 EHABHN Cc1cccc(CN2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)n1 ZINC000257252274 244272472 /nfs/dbraw/zinc/27/24/72/244272472.db2.gz JUEMREGAWUZMTQ-UNMCSNQZSA-N 0 3 349.478 3.546 40 0 EHABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3)n2)c1 ZINC000019294087 212012879 /nfs/dbraw/zinc/01/28/79/212012879.db2.gz ONBNIWZJLWQEHT-INIZCTEOSA-N 0 3 335.386 3.846 40 0 EHABHN CCN(CC)CCO[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000005572794 563540773 /nfs/dbraw/zinc/54/07/73/563540773.db2.gz OFVKGYAZUDNNGS-QHCPKHFHSA-N 0 3 331.481 3.798 40 0 EHABHN O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220785 563901719 /nfs/dbraw/zinc/90/17/19/563901719.db2.gz MDPRGUCLBBDVFL-GOSISDBHSA-N 0 3 342.870 3.868 40 0 EHABHN Cc1ccccc1CN1CC2(C1)CCN(C(=O)Nc1ccccc1)C2 ZINC000096070792 563978963 /nfs/dbraw/zinc/97/89/63/563978963.db2.gz MLCGQTCIJFQMLR-UHFFFAOYSA-N 0 3 335.451 3.735 40 0 EHABHN O=C(CC1CCCC1)N1CCC2(CCCN2Cc2cccnc2)CC1 ZINC000096075377 563979074 /nfs/dbraw/zinc/97/90/74/563979074.db2.gz WPNHEIAWOLHESB-UHFFFAOYSA-N 0 3 341.499 3.619 40 0 EHABHN Cc1ncsc1CN1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096109258 563979228 /nfs/dbraw/zinc/97/92/28/563979228.db2.gz ILURVYMEWLCUNJ-MJGOQNOKSA-N 0 3 343.496 3.665 40 0 EHABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccsc1)C2 ZINC000096100320 563979271 /nfs/dbraw/zinc/97/92/71/563979271.db2.gz WQHPJIHCTQCVBD-FQEVSTJZSA-N 0 3 338.476 3.648 40 0 EHABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096215871 563980264 /nfs/dbraw/zinc/98/02/64/563980264.db2.gz RFZRQIIELBVARG-SFHVURJKSA-N 0 3 331.485 3.533 40 0 EHABHN Cc1ccccc1O[C@@H]1CCC[C@H](N(C)Cc2ccc(F)cc2)[C@H]1O ZINC000585289547 563982044 /nfs/dbraw/zinc/98/20/44/563982044.db2.gz RJAIXGPQWDASGM-CEWLAPEOSA-N 0 3 343.442 3.927 40 0 EHABHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccncc2)CCN1Cc1ccccc1 ZINC000096414583 564002117 /nfs/dbraw/zinc/00/21/17/564002117.db2.gz UBWQYEJYEDQQDU-XHZUGVROSA-N 0 3 349.478 3.606 40 0 EHABHN Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccco4)C3)o2)cc1 ZINC000049169419 564032568 /nfs/dbraw/zinc/03/25/68/564032568.db2.gz YNNYANIRAMLTMV-ZDUSSCGKSA-N 0 3 329.787 3.973 40 0 biogenic,in-vitro EHABHN CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225611257 564048380 /nfs/dbraw/zinc/04/83/80/564048380.db2.gz UJAMDTJTJLCSSO-HXUWFJFHSA-N 0 3 348.487 3.695 40 0 EHABHN CCC(=O)N1CC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257285230 564054711 /nfs/dbraw/zinc/05/47/11/564054711.db2.gz PGEYLXHHUCCOFB-AWEZNQCLSA-N 0 3 327.403 3.999 40 0 EHABHN Cc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039755399 213242418 /nfs/dbraw/zinc/24/24/18/213242418.db2.gz JZNHQCJWLKDEDE-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039767025 213241866 /nfs/dbraw/zinc/24/18/66/213241866.db2.gz NFPVWCUXWUOAHM-UHFFFAOYSA-N 0 3 330.378 3.816 40 0 EHABHN COCCN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358503 216165865 /nfs/dbraw/zinc/16/58/65/216165865.db2.gz YKTYMKDMWOAXBW-HNNXBMFYSA-N 0 3 331.847 3.623 40 0 EHABHN Fc1ccc(CN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1 ZINC000072379081 216181401 /nfs/dbraw/zinc/18/14/01/216181401.db2.gz DBMMXOXHRSJAMX-UHFFFAOYSA-N 0 3 336.414 3.786 40 0 EHABHN O=c1cc(C2CC[NH+](Cc3ccccc3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392742 216190915 /nfs/dbraw/zinc/19/09/15/216190915.db2.gz LFQBOUBBZBUOJI-UHFFFAOYSA-N 0 3 346.434 3.624 40 0 EHABHN N[C@@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000255190452 244048147 /nfs/dbraw/zinc/04/81/47/244048147.db2.gz XIHDYRGWLFXHEB-LJQANCHMSA-N 0 3 342.414 3.874 40 0 EHABHN Cc1ccc(CN2CCC[C@@H]2c2cncc(CN3CCCC3)n2)s1 ZINC000257211724 244154092 /nfs/dbraw/zinc/15/40/92/244154092.db2.gz CADLXPWKYBYRND-LJQANCHMSA-N 0 3 342.512 3.779 40 0 EHABHN Cc1cncc([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257241339 244243994 /nfs/dbraw/zinc/24/39/94/244243994.db2.gz HXRXVMKGHYTYOF-KRWDZBQOSA-N 0 3 333.439 3.555 40 0 EHABHN CN(CCN1CCCCC1)Cc1ccccc1OCc1ccccn1 ZINC000019586094 212047302 /nfs/dbraw/zinc/04/73/02/212047302.db2.gz QZQVGMYZICZCRT-UHFFFAOYSA-N 0 3 339.483 3.578 40 0 EHABHN c1ccc2c(c1)CCN(Cc1c3cccnc3[nH]c1[C@H]1CCCO1)C2 ZINC000019375391 212024733 /nfs/dbraw/zinc/02/47/33/212024733.db2.gz PSCCGCGKSDWTMV-LJQANCHMSA-N 0 3 333.435 3.973 40 0 EHABHN COc1cccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)c1 ZINC000019239395 212008977 /nfs/dbraw/zinc/00/89/77/212008977.db2.gz WSCYENNPPHBIGY-UHFFFAOYSA-N 0 3 336.439 3.655 40 0 EHABHN O=C1OC2=C(CCCC2)[C@@H](N2CCCCC2)C12SCCCS2 ZINC000005432418 563532840 /nfs/dbraw/zinc/53/28/40/563532840.db2.gz OEYWTFIUIXVNHY-OAHLLOKOSA-N 0 3 339.526 3.792 40 0 EHABHN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044912331 563928273 /nfs/dbraw/zinc/92/82/73/563928273.db2.gz NMKNOZZMCXGZKE-IBGZPJMESA-N 0 3 340.442 3.663 40 0 EHABHN FCCN1CCC2(CC1)C[C@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242732 563980581 /nfs/dbraw/zinc/98/05/81/563980581.db2.gz LWSHMZKXASYVGM-SFHVURJKSA-N 0 3 344.430 3.697 40 0 EHABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccc(F)cc3F)[C@H]2O)c1 ZINC000585288469 563982066 /nfs/dbraw/zinc/98/20/66/563982066.db2.gz BENRSYBUSAPGRJ-XUVXKRRUSA-N 0 3 347.405 3.724 40 0 EHABHN Cc1ccc(OCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369845 563990991 /nfs/dbraw/zinc/99/09/91/563990991.db2.gz UKOBQRYXYFTMCW-SFHVURJKSA-N 0 3 349.434 3.913 40 0 EHABHN CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1cccs1 ZINC000008326362 564016095 /nfs/dbraw/zinc/01/60/95/564016095.db2.gz NXXUTEKIASANAB-HNNXBMFYSA-N 0 3 335.469 3.586 40 0 EHABHN Fc1cccc(CN2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390042 216189936 /nfs/dbraw/zinc/18/99/36/216189936.db2.gz DAYQMPUIGDLJPF-HNNXBMFYSA-N 0 3 338.386 3.650 40 0 EHABHN Cc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019210209 212004145 /nfs/dbraw/zinc/00/41/45/212004145.db2.gz ILIFAUKXJWABND-UHFFFAOYSA-N 0 3 334.423 3.820 40 0 EHABHN CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccsc1)CC2 ZINC000096061432 218554420 /nfs/dbraw/zinc/55/44/20/218554420.db2.gz VLCMMUHAQCSUTR-GOSISDBHSA-N 0 3 340.492 3.729 40 0 EHABHN CCOC(=O)O[C@@]1(c2cccc(OC(C)C)c2)CCN(C)C[C@H]1C ZINC000504666000 257708939 /nfs/dbraw/zinc/70/89/39/257708939.db2.gz OJGKBIRRFPYKKZ-BEFAXECRSA-N 0 3 335.444 3.814 40 0 EHABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000006355913 563565658 /nfs/dbraw/zinc/56/56/58/563565658.db2.gz WSEOTWCMPKAJSV-XLIONFOSSA-N 0 3 339.479 3.998 40 0 EHABHN CC[C@H](CO)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000008337067 563627579 /nfs/dbraw/zinc/62/75/79/563627579.db2.gz HFHLFMBEBBHJAW-QGZVFWFLSA-N 0 3 349.858 3.788 40 0 EHABHN Clc1ccccc1CN1CCC(n2cnc3cccnc32)CC1 ZINC000013266970 563693514 /nfs/dbraw/zinc/69/35/14/563693514.db2.gz IOYQBMNJTTXHLX-UHFFFAOYSA-N 0 3 326.831 3.922 40 0 EHABHN COc1ccc2c(c1O)[C@]13CC=N[C@H](C2)[C@@H]1C(C)(C)C(C)(C)C(=O)C3 ZINC000031771644 563912995 /nfs/dbraw/zinc/91/29/95/563912995.db2.gz YZUICYYRVXDGNI-XMLVGPMBSA-N 0 3 341.451 3.679 40 0 EHABHN c1coc(CN2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)c1 ZINC000585105401 563971559 /nfs/dbraw/zinc/97/15/59/563971559.db2.gz WAKRRIRGDBMORA-QGZVFWFLSA-N 0 3 342.439 3.515 40 0 EHABHN c1csc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585104408 563971584 /nfs/dbraw/zinc/97/15/84/563971584.db2.gz IEFUGNSCPWWULJ-KRWDZBQOSA-N 0 3 335.513 3.936 40 0 EHABHN Fc1ccc(-c2ncnc3c2CCN(Cc2cccs2)CC3)cc1 ZINC000096058697 563978824 /nfs/dbraw/zinc/97/88/24/563978824.db2.gz PLABLXSVHKYLQF-UHFFFAOYSA-N 0 3 339.439 3.945 40 0 EHABHN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(Cc2ccncc2)C3)c1 ZINC000096209103 563980181 /nfs/dbraw/zinc/98/01/81/563980181.db2.gz KBCMXZRHHUJTQJ-RTWAWAEBSA-N 0 3 337.467 3.604 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)s1 ZINC000096221687 563980465 /nfs/dbraw/zinc/98/04/65/563980465.db2.gz PVPVBUSMAOBHEO-QGZVFWFLSA-N 0 3 344.480 3.654 40 0 EHABHN c1csc(CN2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)c1 ZINC000096221801 563980480 /nfs/dbraw/zinc/98/04/80/563980480.db2.gz MRYWCPHDLIXJGU-KRWDZBQOSA-N 0 3 329.465 3.951 40 0 EHABHN FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239613 563980523 /nfs/dbraw/zinc/98/05/23/563980523.db2.gz KILZBJZKKXKMGR-QGZVFWFLSA-N 0 3 349.450 3.881 40 0 EHABHN Cc1cc(N2CCOCC2)ncc1[C@H]1CCCN1Cc1ccccc1 ZINC000072219390 563985782 /nfs/dbraw/zinc/98/57/82/563985782.db2.gz FGNMGNPSISHKCR-HXUWFJFHSA-N 0 3 337.467 3.564 40 0 EHABHN CN1C[C@@H]2N(Cc3ccsc3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306143714 564062403 /nfs/dbraw/zinc/06/24/03/564062403.db2.gz YKHGBASRRORODF-ICSRJNTNSA-N 0 3 340.492 3.513 40 0 EHABHN CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1ccccc1OCC(C)C ZINC000019712529 564128085 /nfs/dbraw/zinc/12/80/85/564128085.db2.gz UHXVQFMNDGIPQJ-WOJBJXKFSA-N 0 3 344.499 3.697 40 0 EHABHN COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)c2ccccc2)c1 ZINC000016352405 564177006 /nfs/dbraw/zinc/17/70/06/564177006.db2.gz ZGSJHDUHKWWBFB-RBUKOAKNSA-N 0 3 327.424 3.574 40 0 EHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3F)CC2)c1 ZINC000039762699 213241981 /nfs/dbraw/zinc/24/19/81/213241981.db2.gz LGLJXFXCNGAEDZ-UHFFFAOYSA-N 0 3 326.415 3.985 40 0 EHABHN C=Cn1ncc(CN(CCCn2ccnc2)Cc2ccccc2C)c1C ZINC000036740165 213115180 /nfs/dbraw/zinc/11/51/80/213115180.db2.gz AFKNUTJPAZADNQ-UHFFFAOYSA-N 0 3 349.482 3.889 40 0 EHABHN CCc1nccn1-c1nccnc1C1CCN(Cc2ccccc2)CC1 ZINC000072350485 216162453 /nfs/dbraw/zinc/16/24/53/216162453.db2.gz MDJYAEPWHNNIEJ-UHFFFAOYSA-N 0 3 347.466 3.604 40 0 EHABHN C[C@@H]1Cc2cc(CN(CCN(C)C)Cc3cccs3)ccc2O1 ZINC000023247881 212363980 /nfs/dbraw/zinc/36/39/80/212363980.db2.gz RPBRCTPCPSCORE-OAHLLOKOSA-N 0 3 330.497 3.635 40 0 EHABHN CN(C)CCN(Cc1cccs1)Cc1c[nH]nc1-c1cccs1 ZINC000023247856 212364050 /nfs/dbraw/zinc/36/40/50/212364050.db2.gz YCRAIAUYBMAVGG-UHFFFAOYSA-N 0 3 346.525 3.764 40 0 EHABHN CN(C)c1cccc(CC[C@@H]2CCCCN2Cc2cncs2)n1 ZINC000257241768 244246011 /nfs/dbraw/zinc/24/60/11/244246011.db2.gz HZNIRTSXKUKJIE-INIZCTEOSA-N 0 3 330.501 3.591 40 0 EHABHN Cc1cc(C)n(C2CCN(Cc3ccc(-n4ccnc4C)cc3)CC2)n1 ZINC000019659162 212054292 /nfs/dbraw/zinc/05/42/92/212054292.db2.gz BLSZUQNAJGRAAT-UHFFFAOYSA-N 0 3 349.482 3.831 40 0 EHABHN COc1ccc(CC(=O)N2CCC(c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000019554110 212040374 /nfs/dbraw/zinc/04/03/74/212040374.db2.gz KNPIWWCLTALYOJ-UHFFFAOYSA-N 0 3 349.434 3.520 40 0 EHABHN COc1ccc(CC(=O)N2CCC(c3cc4cnccc4[nH]3)CC2)cc1 ZINC000019554110 212040375 /nfs/dbraw/zinc/04/03/75/212040375.db2.gz KNPIWWCLTALYOJ-UHFFFAOYSA-N 0 3 349.434 3.520 40 0 EHABHN c1ccc(CCN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019371246 212023220 /nfs/dbraw/zinc/02/32/20/212023220.db2.gz GWXITWSOOYZYFD-UHFFFAOYSA-N 0 3 334.423 3.554 40 0 EHABHN CCOc1ncccc1-c1noc(CN(CC)C2CCCCC2)n1 ZINC000012365440 211357345 /nfs/dbraw/zinc/35/73/45/211357345.db2.gz DXHLROWOUUALLJ-UHFFFAOYSA-N 0 3 330.432 3.685 40 0 EHABHN Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219329 257686824 /nfs/dbraw/zinc/68/68/24/257686824.db2.gz AVBPJGLDCZGCRS-FQEVSTJZSA-N 0 3 337.467 3.564 40 0 EHABHN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCN1CCCCCC1 ZINC000013709544 518178612 /nfs/dbraw/zinc/17/86/12/518178612.db2.gz NDLHINBNMZOJCQ-QGZVFWFLSA-N 0 3 340.467 3.599 40 0 EHABHN CCOCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008253204 563624375 /nfs/dbraw/zinc/62/43/75/563624375.db2.gz NBGXCYWQRGVVEB-UHFFFAOYSA-N 0 3 347.430 3.930 40 0 EHABHN O[C@@H](CN(Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000016924862 563826044 /nfs/dbraw/zinc/82/60/44/563826044.db2.gz UCNCUQNDNPWJTI-ZRZAMGCNSA-N 0 3 347.458 3.956 40 0 EHABHN O=C(Cc1cccs1)NCc1ccccc1CN1CCCCC1 ZINC000030551544 563909982 /nfs/dbraw/zinc/90/99/82/563909982.db2.gz BKJHBKOUHVILEM-UHFFFAOYSA-N 0 3 328.481 3.593 40 0 EHABHN Cc1cccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)n1 ZINC000585105453 563971519 /nfs/dbraw/zinc/97/15/19/563971519.db2.gz WVXZPZHIUMJEIB-IBGZPJMESA-N 0 3 344.499 3.578 40 0 EHABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)co1 ZINC000585105539 563971573 /nfs/dbraw/zinc/97/15/73/563971573.db2.gz ZBGWMEZYSKRZBI-SFHVURJKSA-N 0 3 342.439 3.515 40 0 EHABHN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047999 563978317 /nfs/dbraw/zinc/97/83/17/563978317.db2.gz PBDCFWBVNRNREX-INIZCTEOSA-N 0 3 346.496 3.597 40 0 EHABHN c1cc(CN2CCC3(CC2)CN(Cc2ccccc2)CCO3)cs1 ZINC000096048949 563978362 /nfs/dbraw/zinc/97/83/62/563978362.db2.gz BDIIVTHVBIYAPX-UHFFFAOYSA-N 0 3 342.508 3.615 40 0 EHABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)co1 ZINC000096057048 563978725 /nfs/dbraw/zinc/97/87/25/563978725.db2.gz ZPCCGJGMBOWHNR-VQTJNVASSA-N 0 3 333.472 3.858 40 0 EHABHN c1csc(CN2CC[C@@]3(C2)COCCN(Cc2cccs2)C3)c1 ZINC000096062391 563978995 /nfs/dbraw/zinc/97/89/95/563978995.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 0 3 348.537 3.534 40 0 EHABHN OCCO[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000096241573 563980515 /nfs/dbraw/zinc/98/05/15/563980515.db2.gz IRMOVWNOAMDZFH-IBGZPJMESA-N 0 3 343.492 3.736 40 0 EHABHN Cc1cccc(O[C@@H]2CCC[C@H](N3CCc4ccccc4C3)[C@H]2O)c1 ZINC000585289522 563982031 /nfs/dbraw/zinc/98/20/31/563982031.db2.gz QZGMBLRFMNLOJZ-BHDDXSALSA-N 0 3 337.463 3.714 40 0 EHABHN CC(C)C(=O)N1C[C@H]2[C@@H](CN2CC(c2ccccc2)c2ccccc2)C1 ZINC000107249325 563984030 /nfs/dbraw/zinc/98/40/30/563984030.db2.gz ZMBLHFXFTKSPET-UNMCSNQZSA-N 0 3 348.490 3.617 40 0 EHABHN COc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009063564 564016609 /nfs/dbraw/zinc/01/66/09/564016609.db2.gz AZCBMPHOMQVTEB-UHFFFAOYSA-N 0 3 342.414 3.685 40 0 EHABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 ZINC000049170552 564032647 /nfs/dbraw/zinc/03/26/47/564032647.db2.gz GFPNPMMNIAMIAN-ZDUSSCGKSA-N 0 3 327.359 3.767 40 0 biogenic,in-vitro EHABHN Cc1c[nH]c([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257278527 564054617 /nfs/dbraw/zinc/05/46/17/564054617.db2.gz OCPCHXBYUWMGIP-SFHVURJKSA-N 0 3 333.439 3.555 40 0 EHABHN c1cc2nccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2n1 ZINC000257295728 564054931 /nfs/dbraw/zinc/05/49/31/564054931.db2.gz QZPUAKXYZHNMLW-UHFFFAOYSA-N 0 3 343.434 3.657 40 0 EHABHN NC(=O)c1sc2ncccc2c1[C@H]1CCCN(C2CCCC2)C1 ZINC000257299878 564055092 /nfs/dbraw/zinc/05/50/92/564055092.db2.gz RSARXWPMBPRWLO-LBPRGKRZSA-N 0 3 329.469 3.517 40 0 EHABHN Fc1ccc(C[C@@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)cc1 ZINC000257338038 564055723 /nfs/dbraw/zinc/05/57/23/564055723.db2.gz YVNHQSWUMHSCRR-HXUWFJFHSA-N 0 3 340.442 3.835 40 0 EHABHN CC[C@@H](C)Nc1cc(N2CCc3cc(OC)ccc3C2)nc(C)n1 ZINC000328964109 564070989 /nfs/dbraw/zinc/07/09/89/564070989.db2.gz BTCNUEGJIFRFBQ-CYBMUJFWSA-N 0 3 326.444 3.567 40 0 EHABHN Cc1cc(OC[C@@H](O)CN2CCc3ccccc3C2)cc(C)c1Cl ZINC000006500863 564112437 /nfs/dbraw/zinc/11/24/37/564112437.db2.gz JBTIUGTZKQNVSH-SFHVURJKSA-N 0 3 345.870 3.755 40 0 EHABHN CCOC(=O)[C@H]1CCCN[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000167442655 1120215393 /nfs/dbraw/zinc/21/53/93/1120215393.db2.gz LHPXBYPQNSPNGL-HOTGVXAUSA-N 0 3 348.443 3.637 40 0 EHABHN CN1CC[C@H]2[C@H](C1)c1ccccc1N2C(=O)c1cc2ccccc2o1 ZINC000252444382 1128959993 /nfs/dbraw/zinc/95/99/93/1128959993.db2.gz OKNPEAZTEBJDNZ-AEFFLSMTSA-N 0 3 332.403 3.881 40 0 EHABHN O=C1C(c2ccccc2)N(c2ccccc2)C(=O)[C@H]1CN1CCCC1 ZINC000104269453 219368607 /nfs/dbraw/zinc/36/86/07/219368607.db2.gz OFEASNCDEQSCSK-SFHVURJKSA-N 0 3 334.419 3.672 40 0 EHABHN CN(C)CCN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000002015879 209811298 /nfs/dbraw/zinc/81/12/98/209811298.db2.gz QJJXOEFWXSQISU-SFHVURJKSA-N 0 3 326.465 3.818 40 0 in-man EHABHN COc1ccc2cc(CN(CCN(C)C)Cc3cccnc3)ccc2c1 ZINC000022931613 212336659 /nfs/dbraw/zinc/33/66/59/212336659.db2.gz FCKFOIOFFGKXFS-UHFFFAOYSA-N 0 3 349.478 3.807 40 0 EHABHN Cc1cccc2[nH]c(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)cc21 ZINC000257221090 244186070 /nfs/dbraw/zinc/18/60/70/244186070.db2.gz DNKPNMNCWXKHBW-ICSRJNTNSA-N 0 3 325.456 3.565 40 0 EHABHN CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2Cc1cccnc1 ZINC000257239921 244239175 /nfs/dbraw/zinc/23/91/75/244239175.db2.gz HRJLFTSAGQWOSL-FDFHNCONSA-N 0 3 349.478 3.798 40 0 EHABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)nc1 ZINC000257252196 244273261 /nfs/dbraw/zinc/27/32/61/244273261.db2.gz JTWNOURRFCHHKB-SFHVURJKSA-N 0 3 333.439 3.902 40 0 EHABHN Cc1nccc([C@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257267221 244364334 /nfs/dbraw/zinc/36/43/34/244364334.db2.gz MGLCVMFBXGWVGC-AWEZNQCLSA-N 0 3 339.468 3.616 40 0 EHABHN CCOc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533169 212039334 /nfs/dbraw/zinc/03/93/34/212039334.db2.gz ROQQVDAQRUJYPO-VQTJNVASSA-N 0 3 329.415 3.839 40 0 EHABHN c1cc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cs1 ZINC000019405958 212025763 /nfs/dbraw/zinc/02/57/63/212025763.db2.gz CZRZXUXEABVMDE-UHFFFAOYSA-N 0 3 326.425 3.573 40 0 EHABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292447 211335031 /nfs/dbraw/zinc/33/50/31/211335031.db2.gz ZRRPVURWJGIBTN-LJQANCHMSA-N 0 3 345.870 3.665 40 0 EHABHN Cc1cc(-c2cnc(N[C@H](C)CN(C)C)nc2-c2cccs2)on1 ZINC000012155755 211309556 /nfs/dbraw/zinc/30/95/56/211309556.db2.gz WDBYYQLTHGZMFE-GFCCVEGCSA-N 0 3 343.456 3.531 40 0 EHABHN CN(C)C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118934885 221206054 /nfs/dbraw/zinc/20/60/54/221206054.db2.gz JZXWQNLDFVFNTR-CTCCYDHESA-N 0 3 345.527 3.667 40 0 EHABHN CN(C)Cc1ccccc1COC(=O)c1ccc(Br)cc1 ZINC000001716140 563406460 /nfs/dbraw/zinc/40/64/60/563406460.db2.gz GHBSZTNHSXFJOQ-UHFFFAOYSA-N 0 3 348.240 3.868 40 0 EHABHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008327057 563627184 /nfs/dbraw/zinc/62/71/84/563627184.db2.gz JNOIPIRSHBYVQA-QGZVFWFLSA-N 0 3 337.822 3.919 40 0 EHABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1 ZINC000019238584 563855528 /nfs/dbraw/zinc/85/55/28/563855528.db2.gz FTMPDPNYWMEJIE-UHFFFAOYSA-N 0 3 344.524 3.781 40 0 EHABHN Cc1ccccc1CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757919 563901107 /nfs/dbraw/zinc/90/11/07/563901107.db2.gz JSTQYTFOZCTQKV-UHFFFAOYSA-N 0 3 340.442 3.663 40 0 EHABHN Cc1ccsc1CN(CC1=Cc2ccccc2OC1)C[C@H](C)O ZINC000057810257 563935887 /nfs/dbraw/zinc/93/58/87/563935887.db2.gz IFEKMLXIAIBTJG-HNNXBMFYSA-N 0 3 329.465 3.715 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)s1 ZINC000096047778 563978297 /nfs/dbraw/zinc/97/82/97/563978297.db2.gz MMBRXBWGXZKXHO-KRWDZBQOSA-N 0 3 328.481 3.990 40 0 EHABHN CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047998 563978355 /nfs/dbraw/zinc/97/83/55/563978355.db2.gz PBDCFWBVNRNREX-MRXNPFEDSA-N 0 3 346.496 3.597 40 0 EHABHN c1csc(CN2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057060 563978838 /nfs/dbraw/zinc/97/88/38/563978838.db2.gz NAOJBTKWWLSQQV-IEBWSBKVSA-N 0 3 344.480 3.593 40 0 EHABHN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cccs1)CC2 ZINC000096061325 563978922 /nfs/dbraw/zinc/97/89/22/563978922.db2.gz CNBCKRZAHQUQRW-GOSISDBHSA-N 0 3 340.492 3.729 40 0 EHABHN Cc1cccc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096111034 563979308 /nfs/dbraw/zinc/97/93/08/563979308.db2.gz QZJIZPYIBLRTLI-CTNGQTDRSA-N 0 3 337.467 3.604 40 0 EHABHN O=C(CC1CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096158411 563979754 /nfs/dbraw/zinc/97/97/54/563979754.db2.gz GMSYPOXNQSORBG-UHFFFAOYSA-N 0 3 344.474 3.830 40 0 EHABHN CCc1ccc(CN2CCC3(CN(c4ccccc4)C3=O)CC2)cc1 ZINC000096202922 563980148 /nfs/dbraw/zinc/98/01/48/563980148.db2.gz XIEAOEHSWGGHMR-UHFFFAOYSA-N 0 3 334.463 3.878 40 0 EHABHN CN(Cc1ccc(F)cc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288800 563981926 /nfs/dbraw/zinc/98/19/26/563981926.db2.gz JKOMYTUEBLAZAR-XUVXKRRUSA-N 0 3 347.405 3.758 40 0 EHABHN Cc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000007636278 564015744 /nfs/dbraw/zinc/01/57/44/564015744.db2.gz MQVKTXKYDWFPRQ-OAQYLSRUSA-N 0 3 339.479 3.689 40 0 EHABHN Cc1ccc(CN2CCC(C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000009063132 564016637 /nfs/dbraw/zinc/01/66/37/564016637.db2.gz UIUVFBWOTURXPX-UHFFFAOYSA-N 0 3 348.556 3.855 40 0 EHABHN CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2Cc1cccnc1 ZINC000257299245 564055022 /nfs/dbraw/zinc/05/50/22/564055022.db2.gz RPGSDKHSRXNFME-FDFHNCONSA-N 0 3 349.478 3.798 40 0 EHABHN O[C@@H](COc1ccc(F)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000006061043 564074329 /nfs/dbraw/zinc/07/43/29/564074329.db2.gz GMUWNBGBPFJGJI-HXUWFJFHSA-N 0 3 343.442 3.520 40 0 EHABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1 ZINC000035290363 213018159 /nfs/dbraw/zinc/01/81/59/213018159.db2.gz HGMTUYOZXFBEMP-ZNXRZULTSA-N 0 3 329.513 3.829 40 0 EHABHN Cc1nccn1-c1cncc([C@@H]2CCCN2CCCc2ccccc2)n1 ZINC000072378676 216181873 /nfs/dbraw/zinc/18/18/73/216181873.db2.gz AAHQNUFKVVZHHW-FQEVSTJZSA-N 0 3 347.466 3.740 40 0 EHABHN c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335292 216379150 /nfs/dbraw/zinc/37/91/50/216379150.db2.gz RCFGNZPVCJDRMX-KURKYZTESA-N 0 3 339.439 3.757 40 0 EHABHN Cc1cccc(CN2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257219809 244182302 /nfs/dbraw/zinc/18/23/02/244182302.db2.gz DIGITLOTTSMHNS-IBGZPJMESA-N 0 3 347.462 3.629 40 0 EHABHN CCc1cc(C(=O)Nc2ccccc2CN2CCCCCC2)n(C)n1 ZINC000019522173 212037084 /nfs/dbraw/zinc/03/70/84/212037084.db2.gz QAFCPKUEJUYJHW-UHFFFAOYSA-N 0 3 340.471 3.611 40 0 EHABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012292227 211334541 /nfs/dbraw/zinc/33/45/41/211334541.db2.gz INWXRHLFMUADII-OAQYLSRUSA-N 0 3 339.479 3.629 40 0 EHABHN COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012240688 211328498 /nfs/dbraw/zinc/32/84/98/211328498.db2.gz LPTVPXXWCHGQRK-UHFFFAOYSA-N 0 3 329.415 3.626 40 0 EHABHN Cc1ccsc1CN1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012119177 211297093 /nfs/dbraw/zinc/29/70/93/211297093.db2.gz DJFIOMPWARTBOP-AWEZNQCLSA-N 0 3 328.437 3.802 40 0 EHABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCc3ccccc3C1)C2 ZINC000009970721 211138143 /nfs/dbraw/zinc/13/81/43/211138143.db2.gz HFYVOEARROQXFB-GPQLQYNLSA-N 0 3 343.511 3.637 40 0 EHABHN Cc1cccc(CN2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)c1 ZINC000096261190 218730526 /nfs/dbraw/zinc/73/05/26/218730526.db2.gz DMTULVBMHFNWGE-OAQYLSRUSA-N 0 3 348.490 3.976 40 0 EHABHN O=C(CNCC1CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000004896581 210314116 /nfs/dbraw/zinc/31/41/16/210314116.db2.gz OQWJKICWCADCEK-UHFFFAOYSA-N 0 3 329.488 3.785 40 0 EHABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCCC1 ZINC000001593603 563395057 /nfs/dbraw/zinc/39/50/57/563395057.db2.gz XPKGNQQIWJCGHZ-WOJBJXKFSA-N 0 3 347.499 3.596 40 0 EHABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCCC1 ZINC000001593604 563395092 /nfs/dbraw/zinc/39/50/92/563395092.db2.gz XPKGNQQIWJCGHZ-PMACEKPBSA-N 0 3 347.499 3.596 40 0 EHABHN Nc1ccc2[nH]c(CCCCCCc3nc4cc(N)ccc4[nH]3)nc2c1 ZINC000013151400 563691396 /nfs/dbraw/zinc/69/13/96/563691396.db2.gz PTSIRYAGKQFWLI-UHFFFAOYSA-N 0 3 348.454 3.949 40 0 EHABHN Nc1ccc2[nH]c(CCCCCCc3nc4ccc(N)cc4[nH]3)nc2c1 ZINC000013151400 563691398 /nfs/dbraw/zinc/69/13/98/563691398.db2.gz PTSIRYAGKQFWLI-UHFFFAOYSA-N 0 3 348.454 3.949 40 0 EHABHN OC1(c2cccnc2F)CCN(Cc2cccc3ccccc32)CC1 ZINC000013267691 563693428 /nfs/dbraw/zinc/69/34/28/563693428.db2.gz INMZOGOPTCTSAL-UHFFFAOYSA-N 0 3 336.410 3.858 40 0 EHABHN O[C@H](CN(Cc1ccccc1)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000031946873 563913168 /nfs/dbraw/zinc/91/31/68/563913168.db2.gz UCNCUQNDNPWJTI-DHIUTWEWSA-N 0 3 347.458 3.956 40 0 EHABHN c1cc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cs1 ZINC000096046946 563978083 /nfs/dbraw/zinc/97/80/83/563978083.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 0 3 327.497 3.631 40 0 EHABHN O=C(c1cccs1)N1CCC2(C1)CCN(Cc1cccs1)CC2 ZINC000096046554 563978138 /nfs/dbraw/zinc/97/81/38/563978138.db2.gz PGPVDNFPSKZDRV-UHFFFAOYSA-N 0 3 346.521 3.938 40 0 EHABHN Cc1ccc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)o1 ZINC000096047855 563978340 /nfs/dbraw/zinc/97/83/40/563978340.db2.gz IPDHQLFIKCMQCU-HXUWFJFHSA-N 0 3 341.451 3.928 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)s1 ZINC000096050722 563978536 /nfs/dbraw/zinc/97/85/36/563978536.db2.gz VSUPQPCWFZIBMZ-LJQANCHMSA-N 0 3 344.455 3.825 40 0 EHABHN Cc1ncsc1CN1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 ZINC000096111051 563979351 /nfs/dbraw/zinc/97/93/51/563979351.db2.gz BBCDVQIFEHINME-APWZRJJASA-N 0 3 343.496 3.665 40 0 EHABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)o1 ZINC000096215721 563980204 /nfs/dbraw/zinc/98/02/04/563980204.db2.gz BGGZDTMDHVZJEW-SFHVURJKSA-N 0 3 331.485 3.533 40 0 EHABHN CC(C)C(=O)N1C[C@H]2CN(CC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000107249320 563984026 /nfs/dbraw/zinc/98/40/26/563984026.db2.gz ZMBLHFXFTKSPET-IRLDBZIGSA-N 0 3 348.490 3.617 40 0 EHABHN Cc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000107746902 563984150 /nfs/dbraw/zinc/98/41/50/563984150.db2.gz MYTKXKSDQRWZNI-AEFFLSMTSA-N 0 3 346.471 3.533 40 0 EHABHN Cc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C)C3)ccn2)c1 ZINC000257298219 564055059 /nfs/dbraw/zinc/05/50/59/564055059.db2.gz RKRHBTHEBAIVNL-SFHVURJKSA-N 0 3 347.466 3.811 40 0 EHABHN CN1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1ccc2ccccc2n1 ZINC000257304651 564055155 /nfs/dbraw/zinc/05/51/55/564055155.db2.gz SMNVMHRDGXOAQA-FPOVZHCZSA-N 0 3 337.467 3.714 40 0 EHABHN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853580 213227920 /nfs/dbraw/zinc/22/79/20/213227920.db2.gz MNMDSFHBKYRPJC-AWEZNQCLSA-N 0 3 348.368 3.955 40 0 EHABHN COc1ccc2[nH]c([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 ZINC000035446757 213028502 /nfs/dbraw/zinc/02/85/02/213028502.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 0 3 325.387 3.700 40 0 biogenic,in-vitro EHABHN CCc1nccn1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072379066 216181046 /nfs/dbraw/zinc/18/10/46/216181046.db2.gz GQGPIJRMKWJHAL-SFHVURJKSA-N 0 3 347.466 3.604 40 0 EHABHN Cc1ncc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)n1C ZINC000257244214 244253802 /nfs/dbraw/zinc/25/38/02/244253802.db2.gz IKJZQXFMFDVYEH-SFHVURJKSA-N 0 3 347.466 3.565 40 0 EHABHN Cc1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719809 212057606 /nfs/dbraw/zinc/05/76/06/212057606.db2.gz FFODLXNFERIEFX-AWEZNQCLSA-N 0 3 326.469 3.783 40 0 EHABHN O=c1cc([C@@H]2CCCCN2Cc2ccccc2)nc(-c2cccnc2)[nH]1 ZINC000019372024 212023386 /nfs/dbraw/zinc/02/33/86/212023386.db2.gz CEECWEDLPKUQKC-IBGZPJMESA-N 0 3 346.434 3.559 40 0 EHABHN c1ccc([C@H]2CCCN(Cc3ccnc(-c4ccncc4)n3)C2)cc1 ZINC000019369958 212023452 /nfs/dbraw/zinc/02/34/52/212023452.db2.gz FAPXUJBGSISSIZ-IBGZPJMESA-N 0 3 330.435 3.918 40 0 EHABHN O[C@@H](c1ccccc1)[C@H](NCCNCc1ccccc1)c1ccccc1 ZINC000019366032 212023245 /nfs/dbraw/zinc/02/32/45/212023245.db2.gz SGOMBIGJIMEQGI-PKTZIBPZSA-N 0 3 346.474 3.841 40 0 EHABHN Fc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047592 218534979 /nfs/dbraw/zinc/53/49/79/218534979.db2.gz XWDSOENHFAHJIU-WOJBJXKFSA-N 0 3 344.405 3.810 40 0 EHABHN Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)N2C1CC1 ZINC000004857025 210302895 /nfs/dbraw/zinc/30/28/95/210302895.db2.gz GBBIMNGBCCUNIR-ZXFUBFMLSA-N 0 3 329.513 3.829 40 0 EHABHN Cc1ccccc1CN1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585104977 563971595 /nfs/dbraw/zinc/97/15/95/563971595.db2.gz NAAVZNNGUPJADJ-IBGZPJMESA-N 0 3 340.492 3.667 40 0 EHABHN Cc1ccccc1CN1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585104979 563971597 /nfs/dbraw/zinc/97/15/97/563971597.db2.gz NAAVZNNGUPJADJ-LJQANCHMSA-N 0 3 340.492 3.667 40 0 EHABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047010 563978153 /nfs/dbraw/zinc/97/81/53/563978153.db2.gz GBMJCGVQJYYSIH-SFHVURJKSA-N 0 3 346.521 3.938 40 0 EHABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccsc3)C[C@@H]12 ZINC000096058451 563978818 /nfs/dbraw/zinc/97/88/18/563978818.db2.gz PFZHTKMXLGYDMR-WOJBJXKFSA-N 0 3 340.492 3.513 40 0 EHABHN O=C1C[C@@]2(CCN(Cc3ccc(F)cc3)C2)CN1c1cccc(F)c1 ZINC000096077946 563979042 /nfs/dbraw/zinc/97/90/42/563979042.db2.gz XGTRKMPODUOQGY-HXUWFJFHSA-N 0 3 342.389 3.594 40 0 EHABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)s1 ZINC000096216979 563980351 /nfs/dbraw/zinc/98/03/51/563980351.db2.gz XHPBHEZKMZQDTG-IBGZPJMESA-N 0 3 342.512 3.647 40 0 EHABHN CCO[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096241838 563980570 /nfs/dbraw/zinc/98/05/70/563980570.db2.gz MSHGQDJNNMWQBM-FQEVSTJZSA-N 0 3 339.483 3.744 40 0 EHABHN CC(C)C(=O)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000096244861 563980576 /nfs/dbraw/zinc/98/05/76/563980576.db2.gz ZMBLHFXFTKSPET-RBBKRZOGSA-N 0 3 348.490 3.617 40 0 EHABHN O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1NCc1ccccc1Cl ZINC000585283510 563981847 /nfs/dbraw/zinc/98/18/47/563981847.db2.gz BHSYTRUDTNPIHD-IPMKNSEASA-N 0 3 349.833 3.930 40 0 EHABHN COc1ccc([C@H]2CC(N)=NN2c2ccc(C(F)(F)F)cc2)cc1 ZINC000222547858 564036923 /nfs/dbraw/zinc/03/69/23/564036923.db2.gz GITZRHCRSCYTKB-OAHLLOKOSA-N 0 3 335.329 3.938 40 0 EHABHN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225698699 564049501 /nfs/dbraw/zinc/04/95/01/564049501.db2.gz VHFKLPOJPNWHAC-LJQANCHMSA-N 0 3 336.476 3.551 40 0 EHABHN Cc1cn(C)c([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257285320 564054762 /nfs/dbraw/zinc/05/47/62/564054762.db2.gz PGPPJZUOMGJJAF-IBGZPJMESA-N 0 3 347.466 3.565 40 0 EHABHN Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257309971 564055254 /nfs/dbraw/zinc/05/52/54/564055254.db2.gz UDDFRLMVRUHYPT-KRWDZBQOSA-N 0 3 333.439 3.555 40 0 EHABHN