smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(CC(C)(C)C)CCO3)C1 ZINC000012149167 845856105 /nfs/dbraw/zinc/85/61/05/845856105.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 1 3 415.622 4.008 50 0 HIAAHO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(CC(C)(C)C)CCO3)C1 ZINC000012149167 845856110 /nfs/dbraw/zinc/85/61/10/845856110.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 1 3 415.622 4.008 50 0 HIAAHO Cc1ccc(F)cc1CNCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014954970 845994899 /nfs/dbraw/zinc/99/48/99/845994899.db2.gz HLLFVAQJJRZLRK-VWLOTQADSA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1ccc(F)cc1CNCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014954970 845994902 /nfs/dbraw/zinc/99/49/02/845994902.db2.gz HLLFVAQJJRZLRK-VWLOTQADSA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000020118409 846381097 /nfs/dbraw/zinc/38/10/97/846381097.db2.gz BXGIZXMCWIZONF-VWLOTQADSA-N 1 3 424.564 4.416 50 0 HIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000020118409 846381103 /nfs/dbraw/zinc/38/11/03/846381103.db2.gz BXGIZXMCWIZONF-VWLOTQADSA-N 1 3 424.564 4.416 50 0 HIAAHO CC(C)Oc1ccc(CN2CCC3(C[N@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174385 854233147 /nfs/dbraw/zinc/23/31/47/854233147.db2.gz GGJADLQDKGEJAP-OAQYLSRUSA-N 1 3 412.578 4.292 50 0 HIAAHO CC(C)Oc1ccc(CN2CCC3(C[N@@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174385 854233154 /nfs/dbraw/zinc/23/31/54/854233154.db2.gz GGJADLQDKGEJAP-OAQYLSRUSA-N 1 3 412.578 4.292 50 0 HIAAHO OC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594429 558437217 /nfs/dbraw/zinc/43/72/17/558437217.db2.gz SVFKDWLFORJZLO-QHCPKHFHSA-N 1 3 402.579 4.300 50 0 HIAAHO CCOc1cc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871868 /nfs/dbraw/zinc/87/18/68/558871868.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 1 3 412.574 4.186 50 0 HIAAHO CCOc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871871 /nfs/dbraw/zinc/87/18/71/558871871.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 1 3 412.574 4.186 50 0 HIAAHO O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012315772 845866816 /nfs/dbraw/zinc/86/68/16/845866816.db2.gz MCBCCLBUWGFXCE-QHCPKHFHSA-N 1 3 411.615 4.131 50 0 HIAAHO COc1ccccc1-n1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cn1 ZINC000015074981 846006824 /nfs/dbraw/zinc/00/68/24/846006824.db2.gz BUKSXJMXKIMALG-UHFFFAOYSA-N 1 3 408.546 4.126 50 0 HIAAHO COc1ccccc1-n1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cn1 ZINC000015074981 846006827 /nfs/dbraw/zinc/00/68/27/846006827.db2.gz BUKSXJMXKIMALG-UHFFFAOYSA-N 1 3 408.546 4.126 50 0 HIAAHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252672158 854204769 /nfs/dbraw/zinc/20/47/69/854204769.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 1 3 405.586 4.024 50 0 HIAAHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252672158 854204779 /nfs/dbraw/zinc/20/47/79/854204779.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 1 3 405.586 4.024 50 0 HIAAHO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CCCN(C)C)cc1 ZINC000040720181 525070760 /nfs/dbraw/zinc/07/07/60/525070760.db2.gz YQNTXUFOUQMJFV-UHFFFAOYSA-N 1 3 405.542 4.207 50 0 HIAAHO OC[C@]1(Cc2ccc(F)cc2)CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049383 558313587 /nfs/dbraw/zinc/31/35/87/558313587.db2.gz CESVNUOWKPJCMA-SANMLTNESA-N 1 3 410.577 4.150 50 0 HIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873862 558418292 /nfs/dbraw/zinc/41/82/92/558418292.db2.gz COSBGQFVJCNMEB-UHFFFAOYSA-N 1 3 421.379 4.386 50 0 HIAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875014 /nfs/dbraw/zinc/87/50/14/558875014.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 1 3 423.601 4.430 50 0 HIAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875015 /nfs/dbraw/zinc/87/50/15/558875015.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 1 3 423.601 4.430 50 0 HIAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCc1cccc(F)c1)C1CCCCC1 ZINC000012052394 558314623 /nfs/dbraw/zinc/31/46/23/558314623.db2.gz DOBKVKURJCPNQV-XMMPIXPASA-N 1 3 414.565 4.162 50 0 HIAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCc1cccc(F)c1)C1CCCCC1 ZINC000012052394 558314624 /nfs/dbraw/zinc/31/46/24/558314624.db2.gz DOBKVKURJCPNQV-XMMPIXPASA-N 1 3 414.565 4.162 50 0 HIAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112286 558326582 /nfs/dbraw/zinc/32/65/82/558326582.db2.gz RRYVGVCQXXSDGG-IZJILKLZSA-N 1 3 401.639 4.048 50 0 HIAAHO C[N@@H+](Cc1cccn1-c1nccs1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012373718 558391032 /nfs/dbraw/zinc/39/10/32/558391032.db2.gz FSRDUIZSVZTHIB-UHFFFAOYSA-N 1 3 412.578 4.459 50 0 HIAAHO C[N@H+](Cc1cccn1-c1nccs1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012373718 558391035 /nfs/dbraw/zinc/39/10/35/558391035.db2.gz FSRDUIZSVZTHIB-UHFFFAOYSA-N 1 3 412.578 4.459 50 0 HIAAHO O=C(CCC(F)(F)F)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014951127 558681035 /nfs/dbraw/zinc/68/10/35/558681035.db2.gz KCLVBRUYZNKTBT-IBGZPJMESA-N 1 3 417.560 4.298 50 0 HIAAHO O=C(CCC(F)(F)F)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014951127 558681038 /nfs/dbraw/zinc/68/10/38/558681038.db2.gz KCLVBRUYZNKTBT-IBGZPJMESA-N 1 3 417.560 4.298 50 0 HIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(SC)c2)CC1 ZINC000015061747 558704808 /nfs/dbraw/zinc/70/48/08/558704808.db2.gz QVTIXPVCBGHYAY-OAQYLSRUSA-N 1 3 403.636 4.001 50 0 HIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(SC)c2)CC1 ZINC000015061747 558704809 /nfs/dbraw/zinc/70/48/09/558704809.db2.gz QVTIXPVCBGHYAY-OAQYLSRUSA-N 1 3 403.636 4.001 50 0 HIAAHO CN1CCC(Oc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000067603668 558988178 /nfs/dbraw/zinc/98/81/78/558988178.db2.gz CGUWASDWLSJOMF-UHFFFAOYSA-N 1 3 407.558 4.010 50 0 HIAAHO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000079192064 569429345 /nfs/dbraw/zinc/42/93/45/569429345.db2.gz ZFWMBYGLLMRXMA-UKILVPOCSA-N 1 3 417.597 4.089 50 0 HIAAHO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000079192064 569429346 /nfs/dbraw/zinc/42/93/46/569429346.db2.gz ZFWMBYGLLMRXMA-UKILVPOCSA-N 1 3 417.597 4.089 50 0 HIAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000055271517 571315294 /nfs/dbraw/zinc/31/52/94/571315294.db2.gz FXUDEACXROXIBT-UHFFFAOYSA-N 1 3 421.507 4.461 50 0 HIAAHO CCn1nc(C)c(C[N@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)c1C ZINC000011998330 845846553 /nfs/dbraw/zinc/84/65/53/845846553.db2.gz SLXVFGDPIWOHEV-UHFFFAOYSA-N 1 3 416.585 4.020 50 0 HIAAHO CCn1nc(C)c(C[N@@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)c1C ZINC000011998330 845846557 /nfs/dbraw/zinc/84/65/57/845846557.db2.gz SLXVFGDPIWOHEV-UHFFFAOYSA-N 1 3 416.585 4.020 50 0 HIAAHO CSc1cccc(CNCc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000012204237 558352329 /nfs/dbraw/zinc/35/23/29/558352329.db2.gz IZSBKTKVNNWQGM-JOCHJYFZSA-N 1 3 414.615 4.314 50 0 HIAAHO Cc1ccccc1-c1cccc(C[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)c1 ZINC000012586103 558434198 /nfs/dbraw/zinc/43/41/98/558434198.db2.gz RYLLNULOIKVPPX-UHFFFAOYSA-N 1 3 407.602 4.332 50 0 HIAAHO CCN(Cc1ccccc1OCCO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012590710 558435553 /nfs/dbraw/zinc/43/55/53/558435553.db2.gz PJTMOBXVVIAEPY-UHFFFAOYSA-N 1 3 410.602 4.143 50 0 HIAAHO Cc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000022925774 558523205 /nfs/dbraw/zinc/52/32/05/558523205.db2.gz ISMVFGRJHQUPSD-OAQYLSRUSA-N 1 3 404.668 4.394 50 0 HIAAHO Cc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000022925774 558523208 /nfs/dbraw/zinc/52/32/08/558523208.db2.gz ISMVFGRJHQUPSD-OAQYLSRUSA-N 1 3 404.668 4.394 50 0 HIAAHO Cc1c(C[NH2+]CCCNCCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013733283 558587589 /nfs/dbraw/zinc/58/75/89/558587589.db2.gz XNFSWJHFMZQHHZ-UHFFFAOYSA-N 1 3 420.384 4.366 50 0 HIAAHO O=C(CCC(F)(F)F)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014951121 558680945 /nfs/dbraw/zinc/68/09/45/558680945.db2.gz KCLVBRUYZNKTBT-LJQANCHMSA-N 1 3 417.560 4.298 50 0 HIAAHO O=C(CCC(F)(F)F)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014951121 558680946 /nfs/dbraw/zinc/68/09/46/558680946.db2.gz KCLVBRUYZNKTBT-LJQANCHMSA-N 1 3 417.560 4.298 50 0 HIAAHO COc1ccc(CCN(Cc2nc3c(s2)CCCC3)CC2CC[NH+](C)CC2)cc1 ZINC000012589941 845878577 /nfs/dbraw/zinc/87/85/77/845878577.db2.gz ABRXWOYGLGZIOP-UHFFFAOYSA-N 1 3 413.631 4.417 50 0 HIAAHO C[N@H+](Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359937 /nfs/dbraw/zinc/35/99/37/846359937.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 1 3 420.597 4.105 50 0 HIAAHO C[N@@H+](Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359948 /nfs/dbraw/zinc/35/99/48/846359948.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 1 3 420.597 4.105 50 0 HIAAHO CCN(Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011662904 558266461 /nfs/dbraw/zinc/26/64/61/558266461.db2.gz SXLGFFKWAAGNHY-UHFFFAOYSA-N 1 3 412.647 4.438 50 0 HIAAHO O[C@H](COc1ccc(CNCc2ccccc2C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000011763534 558273590 /nfs/dbraw/zinc/27/35/90/558273590.db2.gz AAQZDHPINGIJAT-FQEVSTJZSA-N 1 3 422.491 4.221 50 0 HIAAHO OC[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594425 558436922 /nfs/dbraw/zinc/43/69/22/558436922.db2.gz SVFKDWLFORJZLO-HSZRJFAPSA-N 1 3 402.579 4.300 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCn1ccnc1C ZINC000095995928 568678852 /nfs/dbraw/zinc/67/88/52/568678852.db2.gz GEIAJPVZECPGIM-PSWAGMNNSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000095995928 568678854 /nfs/dbraw/zinc/67/88/54/568678854.db2.gz GEIAJPVZECPGIM-PSWAGMNNSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCCCn1ccnc1C ZINC000095995928 568678856 /nfs/dbraw/zinc/67/88/56/568678856.db2.gz GEIAJPVZECPGIM-PSWAGMNNSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000095995928 568678858 /nfs/dbraw/zinc/67/88/58/568678858.db2.gz GEIAJPVZECPGIM-PSWAGMNNSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000020118411 846381470 /nfs/dbraw/zinc/38/14/70/846381470.db2.gz BXGIZXMCWIZONF-RUZDIDTESA-N 1 3 424.564 4.416 50 0 HIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1 ZINC000020118411 846381475 /nfs/dbraw/zinc/38/14/75/846381475.db2.gz BXGIZXMCWIZONF-RUZDIDTESA-N 1 3 424.564 4.416 50 0 HIAAHO CC(C)Oc1c(Br)cc(C[NH2+]CCCN(C)C)cc1Br ZINC000040719675 519777486 /nfs/dbraw/zinc/77/74/86/519777486.db2.gz HGZMEEIWLDXMHE-UHFFFAOYSA-N 1 3 408.178 4.040 50 0 HIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040719971 522447623 /nfs/dbraw/zinc/44/76/23/522447623.db2.gz NOPVEGVBVCCYAO-UHFFFAOYSA-N 1 3 421.379 4.386 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280609 /nfs/dbraw/zinc/28/06/09/558280609.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 1 3 409.574 4.040 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280612 /nfs/dbraw/zinc/28/06/12/558280612.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 1 3 409.574 4.040 50 0 HIAAHO CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc21 ZINC000011937197 558301108 /nfs/dbraw/zinc/30/11/08/558301108.db2.gz JLXNDINUQOSVFY-NRFANRHFSA-N 1 3 424.633 4.206 50 0 HIAAHO CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc21 ZINC000011937197 558301109 /nfs/dbraw/zinc/30/11/09/558301109.db2.gz JLXNDINUQOSVFY-NRFANRHFSA-N 1 3 424.633 4.206 50 0 HIAAHO COc1ccccc1CCN1CCC(C[N@H+](C)Cc2cccn2-c2nccs2)CC1 ZINC000012716540 558455495 /nfs/dbraw/zinc/45/54/95/558455495.db2.gz CUTJVAJYDCJOMR-UHFFFAOYSA-N 1 3 424.614 4.329 50 0 HIAAHO COc1ccccc1CCN1CCC(C[N@@H+](C)Cc2cccn2-c2nccs2)CC1 ZINC000012716540 558455497 /nfs/dbraw/zinc/45/54/97/558455497.db2.gz CUTJVAJYDCJOMR-UHFFFAOYSA-N 1 3 424.614 4.329 50 0 HIAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cccn2-c2nccs2)CC1 ZINC000012716540 558455501 /nfs/dbraw/zinc/45/55/01/558455501.db2.gz CUTJVAJYDCJOMR-UHFFFAOYSA-N 1 3 424.614 4.329 50 0 HIAAHO COc1cc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989122 /nfs/dbraw/zinc/98/91/22/849989122.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 1 3 402.966 4.441 50 0 HIAAHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989127 /nfs/dbraw/zinc/98/91/27/849989127.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 1 3 402.966 4.441 50 0 HIAAHO O[C@@H](COc1ccc(CNCc2ccccc2C(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000011763525 558273568 /nfs/dbraw/zinc/27/35/68/558273568.db2.gz AAQZDHPINGIJAT-HXUWFJFHSA-N 1 3 422.491 4.221 50 0 HIAAHO CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CCN(C)CC1 ZINC000011842907 558287917 /nfs/dbraw/zinc/28/79/17/558287917.db2.gz OORXKGNSWLECSR-OAQYLSRUSA-N 1 3 423.601 4.491 50 0 HIAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CCN(C)CC1 ZINC000011842907 558287919 /nfs/dbraw/zinc/28/79/19/558287919.db2.gz OORXKGNSWLECSR-OAQYLSRUSA-N 1 3 423.601 4.491 50 0 HIAAHO c1cc2c(c(CN(C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439454 558410904 /nfs/dbraw/zinc/41/09/04/558410904.db2.gz MYAHPKWXQVCGBS-QFIPXVFZSA-N 1 3 400.563 4.051 50 0 HIAAHO CCN(Cc1cnc(N(C)C)s1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014948244 558680322 /nfs/dbraw/zinc/68/03/22/558680322.db2.gz LCSHVDKTUUEFMT-UHFFFAOYSA-N 1 3 400.636 4.294 50 0 HIAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014955112 558682172 /nfs/dbraw/zinc/68/21/72/558682172.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 1 3 422.544 4.329 50 0 HIAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014955112 558682174 /nfs/dbraw/zinc/68/21/74/558682174.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 1 3 422.544 4.329 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687456 /nfs/dbraw/zinc/68/74/56/558687456.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 1 3 412.574 4.099 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687459 /nfs/dbraw/zinc/68/74/59/558687459.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 1 3 412.574 4.099 50 0 HIAAHO CCC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)CC1 ZINC000015063816 558706474 /nfs/dbraw/zinc/70/64/74/558706474.db2.gz QHGIHAVFPZSKMN-UHFFFAOYSA-N 1 3 412.603 4.335 50 0 HIAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000015071703 558713290 /nfs/dbraw/zinc/71/32/90/558713290.db2.gz MPQDPJKNTVWMTL-UHFFFAOYSA-N 1 3 407.558 4.256 50 0 HIAAHO CCc1noc(C2CCC([NH2+]CC3CCN(Cc4ccccc4F)CC3)CC2)n1 ZINC000095996317 568678831 /nfs/dbraw/zinc/67/88/31/568678831.db2.gz SNSBVMCNDFWZKT-UHFFFAOYSA-N 1 3 400.542 4.299 50 0 HIAAHO C[N@@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866113 /nfs/dbraw/zinc/86/61/13/845866113.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 1 3 416.993 4.098 50 0 HIAAHO C[N@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866114 /nfs/dbraw/zinc/86/61/14/845866114.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 1 3 416.993 4.098 50 0 HIAAHO COc1cc(CNCc2cccs2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012477263 845874577 /nfs/dbraw/zinc/87/45/77/845874577.db2.gz OKVGOJWXQHVDQA-HXUWFJFHSA-N 1 3 418.603 4.052 50 0 HIAAHO O=C(NCCN1CCCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000034682407 557383963 /nfs/dbraw/zinc/38/39/63/557383963.db2.gz ZMZOARGLKOLBCS-UHFFFAOYSA-N 1 3 419.613 4.357 50 0 HIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cc(OC)ccc3F)CC2)cc1 ZINC000011661423 558265331 /nfs/dbraw/zinc/26/53/31/558265331.db2.gz XWRPSPNLIBUGSQ-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576745 558431100 /nfs/dbraw/zinc/43/11/00/558431100.db2.gz SRTLGOIHMRKSDN-HSZRJFAPSA-N 1 3 416.606 4.339 50 0 HIAAHO Cc1ccc(F)cc1CNCc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012595395 568869020 /nfs/dbraw/zinc/86/90/20/568869020.db2.gz FPQLIEARAXURTK-HSZRJFAPSA-N 1 3 400.538 4.040 50 0 HIAAHO O[C@H](COc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012314809 558378326 /nfs/dbraw/zinc/37/83/26/558378326.db2.gz DGEMQADHUMTSLA-NRFANRHFSA-N 1 3 422.491 4.221 50 0 HIAAHO COc1cc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc(OC)c1 ZINC000012432887 558407002 /nfs/dbraw/zinc/40/70/02/558407002.db2.gz AOYDAMABWOPKHX-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1cc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc(OC)c1 ZINC000012432887 558407006 /nfs/dbraw/zinc/40/70/06/558407006.db2.gz AOYDAMABWOPKHX-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1ccc(CCN(Cc2ccc(OC)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000012705843 558449764 /nfs/dbraw/zinc/44/97/64/558449764.db2.gz VNSPDEFOLOQGHC-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1ccc(CC[N@@H+](Cc2ccc(OC)cc2F)CC2CCN(C)CC2)cc1 ZINC000012705843 558449769 /nfs/dbraw/zinc/44/97/69/558449769.db2.gz VNSPDEFOLOQGHC-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1ccc(CC[N@H+](Cc2ccc(OC)cc2F)CC2CCN(C)CC2)cc1 ZINC000012705843 558449771 /nfs/dbraw/zinc/44/97/71/558449771.db2.gz VNSPDEFOLOQGHC-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO O=c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076508 558716505 /nfs/dbraw/zinc/71/65/05/558716505.db2.gz HRRFAXKTAFEXRP-QHCPKHFHSA-N 1 3 423.601 4.164 50 0 HIAAHO O=c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076510 558716633 /nfs/dbraw/zinc/71/66/33/558716633.db2.gz HRRFAXKTAFEXRP-HSZRJFAPSA-N 1 3 423.601 4.164 50 0 HIAAHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000106920751 560894448 /nfs/dbraw/zinc/89/44/48/560894448.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 1 3 405.586 4.024 50 0 HIAAHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000106920751 560894450 /nfs/dbraw/zinc/89/44/50/560894450.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 1 3 405.586 4.024 50 0 HIAAHO CCn1cc(CN2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000035457875 569037963 /nfs/dbraw/zinc/03/79/63/569037963.db2.gz QRAZROIKKFGALG-OAQYLSRUSA-N 1 3 424.633 4.111 50 0 HIAAHO CCn1cc(CN2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000035457875 569037964 /nfs/dbraw/zinc/03/79/64/569037964.db2.gz QRAZROIKKFGALG-OAQYLSRUSA-N 1 3 424.633 4.111 50 0 HIAAHO Cc1c(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc2n1C ZINC000011934341 558298593 /nfs/dbraw/zinc/29/85/93/558298593.db2.gz TVHACCXRIFSJOA-OAQYLSRUSA-N 1 3 424.633 4.032 50 0 HIAAHO Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc2n1C ZINC000011934341 558298596 /nfs/dbraw/zinc/29/85/96/558298596.db2.gz TVHACCXRIFSJOA-OAQYLSRUSA-N 1 3 424.633 4.032 50 0 HIAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074017 558318942 /nfs/dbraw/zinc/31/89/42/558318942.db2.gz OUJICUPNIZKXJC-QFIPXVFZSA-N 1 3 424.633 4.377 50 0 HIAAHO COCc1ccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000020877899 558419727 /nfs/dbraw/zinc/41/97/27/558419727.db2.gz VRAFUDIFISRQAZ-QFIPXVFZSA-N 1 3 417.638 4.369 50 0 HIAAHO COCc1ccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000020877899 558419729 /nfs/dbraw/zinc/41/97/29/558419729.db2.gz VRAFUDIFISRQAZ-QFIPXVFZSA-N 1 3 417.638 4.369 50 0 HIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000014972059 558687837 /nfs/dbraw/zinc/68/78/37/558687837.db2.gz YFIYTHQHGPNAMJ-OAQYLSRUSA-N 1 3 403.636 4.001 50 0 HIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000014972059 558687840 /nfs/dbraw/zinc/68/78/40/558687840.db2.gz YFIYTHQHGPNAMJ-OAQYLSRUSA-N 1 3 403.636 4.001 50 0 HIAAHO CCn1cc(CN2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000035457871 569037925 /nfs/dbraw/zinc/03/79/25/569037925.db2.gz QRAZROIKKFGALG-NRFANRHFSA-N 1 3 424.633 4.111 50 0 HIAAHO CCn1cc(CN2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000035457871 569037926 /nfs/dbraw/zinc/03/79/26/569037926.db2.gz QRAZROIKKFGALG-NRFANRHFSA-N 1 3 424.633 4.111 50 0 HIAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112285 558326613 /nfs/dbraw/zinc/32/66/13/558326613.db2.gz RRYVGVCQXXSDGG-XOTIMPRHSA-N 1 3 401.639 4.048 50 0 HIAAHO COc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412141 /nfs/dbraw/zinc/41/21/41/558412141.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412144 /nfs/dbraw/zinc/41/21/44/558412144.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 1 3 400.538 4.229 50 0 HIAAHO Oc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1 ZINC000012468897 558421260 /nfs/dbraw/zinc/42/12/60/558421260.db2.gz TZBHUTCVEKGOIN-XMMPIXPASA-N 1 3 412.549 4.425 50 0 HIAAHO Oc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1 ZINC000012468897 558421262 /nfs/dbraw/zinc/42/12/62/558421262.db2.gz TZBHUTCVEKGOIN-XMMPIXPASA-N 1 3 412.549 4.425 50 0 HIAAHO COCC[N@@H+](Cc1ccccc1OC)CC1CCN(Cc2ccccc2F)CC1 ZINC000012748539 558458593 /nfs/dbraw/zinc/45/85/93/558458593.db2.gz DGLNSQKUSKHRLD-UHFFFAOYSA-N 1 3 400.538 4.195 50 0 HIAAHO COCC[N@H+](Cc1ccccc1OC)CC1CCN(Cc2ccccc2F)CC1 ZINC000012748539 558458594 /nfs/dbraw/zinc/45/85/94/558458594.db2.gz DGLNSQKUSKHRLD-UHFFFAOYSA-N 1 3 400.538 4.195 50 0 HIAAHO CCCOc1cccc(C(=O)NCCCN(C)CCC[N@H+](C)Cc2ccccc2)c1 ZINC000004664887 558876735 /nfs/dbraw/zinc/87/67/35/558876735.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 1 3 411.590 4.049 50 0 HIAAHO CCCOc1cccc(C(=O)NCCCN(C)CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000004664887 558876738 /nfs/dbraw/zinc/87/67/38/558876738.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 1 3 411.590 4.049 50 0 HIAAHO COCC[N@@H+](Cc1cc(C)c(C)o1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011840354 559261493 /nfs/dbraw/zinc/26/14/93/559261493.db2.gz RIWULYQCLSHBDQ-UHFFFAOYSA-N 1 3 400.563 4.266 50 0 HIAAHO COCC[N@H+](Cc1cc(C)c(C)o1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011840354 559261495 /nfs/dbraw/zinc/26/14/95/559261495.db2.gz RIWULYQCLSHBDQ-UHFFFAOYSA-N 1 3 400.563 4.266 50 0 HIAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2ccc(CO)o2)CC(C)C)CC1 ZINC000014980328 845995677 /nfs/dbraw/zinc/99/56/77/845995677.db2.gz HECRMAALBZFWDS-UHFFFAOYSA-N 1 3 400.563 4.151 50 0 HIAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2ccc(CO)o2)CC(C)C)CC1 ZINC000014980328 845995681 /nfs/dbraw/zinc/99/56/81/845995681.db2.gz HECRMAALBZFWDS-UHFFFAOYSA-N 1 3 400.563 4.151 50 0 HIAAHO c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023361301 846690458 /nfs/dbraw/zinc/69/04/58/846690458.db2.gz OWDYJYBJYKQFRW-QHCPKHFHSA-N 1 3 424.658 4.131 50 0 HIAAHO CC(C)Oc1ccc(CN2CCC3(C[N@H+](C)C[C@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174384 854232626 /nfs/dbraw/zinc/23/26/26/854232626.db2.gz GGJADLQDKGEJAP-NRFANRHFSA-N 1 3 412.578 4.292 50 0 HIAAHO CC(C)Oc1ccc(CN2CCC3(C[N@@H+](C)C[C@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174384 854232632 /nfs/dbraw/zinc/23/26/32/854232632.db2.gz GGJADLQDKGEJAP-NRFANRHFSA-N 1 3 412.578 4.292 50 0 HIAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4C[C@@H]3CCC4)CC2)CC1 ZINC000020540616 525138337 /nfs/dbraw/zinc/13/83/37/525138337.db2.gz BOYNBWVZRBJUDI-BWKNWUBXSA-N 1 3 409.618 4.072 50 0 HIAAHO CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2 ZINC000000538461 557018381 /nfs/dbraw/zinc/01/83/81/557018381.db2.gz MPMFCABZENCRHV-UHFFFAOYSA-N 1 3 410.558 4.339 50 0 in-man HIAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074012 558318845 /nfs/dbraw/zinc/31/88/45/558318845.db2.gz OUJICUPNIZKXJC-JOCHJYFZSA-N 1 3 424.633 4.377 50 0 HIAAHO CSc1cccc(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000012204227 558352315 /nfs/dbraw/zinc/35/23/15/558352315.db2.gz IZSBKTKVNNWQGM-QFIPXVFZSA-N 1 3 414.615 4.314 50 0 HIAAHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412055 /nfs/dbraw/zinc/41/20/55/558412055.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412058 /nfs/dbraw/zinc/41/20/58/558412058.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 1 3 400.538 4.229 50 0 HIAAHO CCc1ccc(C[N@H+](CCOC)CC2CCN(Cc3ccccc3OC)CC2)o1 ZINC000012456833 558417528 /nfs/dbraw/zinc/41/75/28/558417528.db2.gz PJEGWOSLOMFUSE-UHFFFAOYSA-N 1 3 400.563 4.211 50 0 HIAAHO CCc1ccc(C[N@@H+](CCOC)CC2CCN(Cc3ccccc3OC)CC2)o1 ZINC000012456833 558417531 /nfs/dbraw/zinc/41/75/31/558417531.db2.gz PJEGWOSLOMFUSE-UHFFFAOYSA-N 1 3 400.563 4.211 50 0 HIAAHO CCCOc1c(Br)cc(Br)cc1CNCC1CC[NH2+]CC1 ZINC000020967879 558425176 /nfs/dbraw/zinc/42/51/76/558425176.db2.gz LMSKYYONTHCSNP-UHFFFAOYSA-N 1 3 420.189 4.090 50 0 HIAAHO CCCn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711397 558452720 /nfs/dbraw/zinc/45/27/20/558452720.db2.gz WYYJHSSROOWZPR-DEOSSOPVSA-N 1 3 402.627 4.237 50 0 HIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000014972064 558687877 /nfs/dbraw/zinc/68/78/77/558687877.db2.gz YFIYTHQHGPNAMJ-NRFANRHFSA-N 1 3 403.636 4.001 50 0 HIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000014972064 558687881 /nfs/dbraw/zinc/68/78/81/558687881.db2.gz YFIYTHQHGPNAMJ-NRFANRHFSA-N 1 3 403.636 4.001 50 0 HIAAHO Cc1cc(N2CCC3(CCCN3Cc3cnc(N(C)C)nc3)CC2)c2ccccc2[nH+]1 ZINC000072447417 558982629 /nfs/dbraw/zinc/98/26/29/558982629.db2.gz LQPXYTJOGALHBH-UHFFFAOYSA-N 1 3 416.573 4.034 50 0 HIAAHO COCc1ncc(CN2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072454027 558982806 /nfs/dbraw/zinc/98/28/06/558982806.db2.gz MGRSGYIJOWZKDS-UHFFFAOYSA-N 1 3 417.557 4.115 50 0 HIAAHO COCC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011951549 559269111 /nfs/dbraw/zinc/26/91/11/559269111.db2.gz ZIEOGNGXSBAJBQ-UHFFFAOYSA-N 1 3 412.549 4.389 50 0 HIAAHO COCC[N@H+](Cc1cccc(C(C)=O)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011951549 559269113 /nfs/dbraw/zinc/26/91/13/559269113.db2.gz ZIEOGNGXSBAJBQ-UHFFFAOYSA-N 1 3 412.549 4.389 50 0 HIAAHO COc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000012315144 845867395 /nfs/dbraw/zinc/86/73/95/845867395.db2.gz AXGKBJCJMIPPCY-UHFFFAOYSA-N 1 3 408.546 4.331 50 0 HIAAHO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000012315144 845867398 /nfs/dbraw/zinc/86/73/98/845867398.db2.gz AXGKBJCJMIPPCY-UHFFFAOYSA-N 1 3 408.546 4.331 50 0 HIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccccc1C ZINC000040719987 522447749 /nfs/dbraw/zinc/44/77/49/522447749.db2.gz DRVBQUDVHNNZLT-UHFFFAOYSA-N 1 3 421.379 4.386 50 0 HIAAHO COc1cc(Br)cc(CNCC2CC[NH2+]CC2)c1OCc1ccccc1 ZINC000010435480 557862120 /nfs/dbraw/zinc/86/21/20/557862120.db2.gz JZCMTQNCLMZXBF-UHFFFAOYSA-N 1 3 419.363 4.126 50 0 HIAAHO COc1cc(/C=C/C[N@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)ccc1O ZINC000011814895 558278974 /nfs/dbraw/zinc/27/89/74/558278974.db2.gz RUABRPAONACXAU-ONEGZZNKSA-N 1 3 412.549 4.440 50 0 HIAAHO COc1cc(/C=C/C[N@@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)ccc1O ZINC000011814895 558278976 /nfs/dbraw/zinc/27/89/76/558278976.db2.gz RUABRPAONACXAU-ONEGZZNKSA-N 1 3 412.549 4.440 50 0 HIAAHO Cc1ccc(CNCc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)s1 ZINC000012192345 558348122 /nfs/dbraw/zinc/34/81/22/558348122.db2.gz WDEYYECDJJRNGE-NRFANRHFSA-N 1 3 402.604 4.351 50 0 HIAAHO Cc1ccc(CNCc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)s1 ZINC000012192345 558348124 /nfs/dbraw/zinc/34/81/24/558348124.db2.gz WDEYYECDJJRNGE-NRFANRHFSA-N 1 3 402.604 4.351 50 0 HIAAHO CC1=C(CCN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000023145522 558538334 /nfs/dbraw/zinc/53/83/34/558538334.db2.gz QWEWZMIMMQAGFB-QHCPKHFHSA-N 1 3 405.671 4.145 50 0 HIAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000012438782 558410287 /nfs/dbraw/zinc/41/02/87/558410287.db2.gz YBYLUGRKLXCKQV-UHFFFAOYSA-N 1 3 422.013 4.055 50 0 HIAAHO Cn1c(SCCN2CCCCC2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000014991680 558694555 /nfs/dbraw/zinc/69/45/55/558694555.db2.gz LVIWOKOIJJGBHR-UHFFFAOYSA-N 1 3 405.656 4.153 50 0 HIAAHO Cc1nnc([C@H]2CC3(CN2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187859 854233932 /nfs/dbraw/zinc/23/39/32/854233932.db2.gz COABDNARIUPWSG-HSZRJFAPSA-N 1 3 417.557 4.045 50 0 HIAAHO CCCCc1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819884 558282981 /nfs/dbraw/zinc/28/29/81/558282981.db2.gz FDEFMMWCKBGRJT-QHCPKHFHSA-N 1 3 402.627 4.388 50 0 HIAAHO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292401 /nfs/dbraw/zinc/29/24/01/558292401.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 1 3 418.585 4.267 50 0 HIAAHO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292404 /nfs/dbraw/zinc/29/24/04/558292404.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 1 3 418.585 4.267 50 0 HIAAHO COc1ccc(OC)c(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000012210566 558354072 /nfs/dbraw/zinc/35/40/72/558354072.db2.gz BPONTIGBGLCLCD-UHFFFAOYSA-N 1 3 400.538 4.229 50 0 HIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000012597082 568869165 /nfs/dbraw/zinc/86/91/65/568869165.db2.gz ZQEMWEJHHDKESY-QFIPXVFZSA-N 1 3 418.622 4.061 50 0 HIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000012597082 568869166 /nfs/dbraw/zinc/86/91/66/568869166.db2.gz ZQEMWEJHHDKESY-QFIPXVFZSA-N 1 3 418.622 4.061 50 0 HIAAHO Cc1ccsc1C[NH+]1CCC(c2nnc(SCCN3CCCCC3)n2C)CC1 ZINC000299771464 568874277 /nfs/dbraw/zinc/87/42/77/568874277.db2.gz YACBNVCIYBZDIJ-UHFFFAOYSA-N 1 3 419.664 4.143 50 0 HIAAHO Cc1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937891 845841848 /nfs/dbraw/zinc/84/18/48/845841848.db2.gz RYAAUYNJUPVZPJ-HHHXNRCGSA-N 1 3 419.613 4.250 50 0 HIAAHO COc1cc(CNCc2cccs2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012477255 845874609 /nfs/dbraw/zinc/87/46/09/845874609.db2.gz OKVGOJWXQHVDQA-FQEVSTJZSA-N 1 3 418.603 4.052 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292615 /nfs/dbraw/zinc/29/26/15/558292615.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 1 3 412.574 4.099 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292617 /nfs/dbraw/zinc/29/26/17/558292617.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 1 3 412.574 4.099 50 0 HIAAHO CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCN3CC)CC2)c2ccccc21 ZINC000012318809 558381785 /nfs/dbraw/zinc/38/17/85/558381785.db2.gz MLCWGYDIRHLNNU-QHCPKHFHSA-N 1 3 424.633 4.254 50 0 HIAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCCCCC3)CC2)c(Cl)c1 ZINC000015062441 558705362 /nfs/dbraw/zinc/70/53/62/558705362.db2.gz YQIKGERTZAPCOX-UHFFFAOYSA-N 1 3 422.013 4.197 50 0 HIAAHO C[N@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CCCCC1 ZINC000015376743 558736298 /nfs/dbraw/zinc/73/62/98/558736298.db2.gz MYDAFEAKPLCCJM-UHFFFAOYSA-N 1 3 420.601 4.212 50 0 HIAAHO C[N@@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CCCCC1 ZINC000015376743 558736301 /nfs/dbraw/zinc/73/63/01/558736301.db2.gz MYDAFEAKPLCCJM-UHFFFAOYSA-N 1 3 420.601 4.212 50 0 HIAAHO Cc1ccc(CN2CCC(CN(C)C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)o1 ZINC000095516795 559084632 /nfs/dbraw/zinc/08/46/32/559084632.db2.gz PIBLNWKDYAXPPE-LJQANCHMSA-N 1 3 401.576 4.058 50 0 HIAAHO COCCN(Cc1cccc(C(C)=O)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012193820 845858741 /nfs/dbraw/zinc/85/87/41/845858741.db2.gz IXNMXRNWIWESFD-UHFFFAOYSA-N 1 3 424.585 4.258 50 0 HIAAHO C[N@H+](Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889355 /nfs/dbraw/zinc/88/93/55/845889355.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 1 3 420.597 4.105 50 0 HIAAHO C[N@@H+](Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889360 /nfs/dbraw/zinc/88/93/60/845889360.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 1 3 420.597 4.105 50 0 HIAAHO CC(C)[NH+](CC[C@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000005442039 557653817 /nfs/dbraw/zinc/65/38/17/557653817.db2.gz YKFWMDHZMQLWBO-QHCPKHFHSA-N 1 3 408.030 4.448 50 0 in-man HIAAHO CN(Cc1cccn1-c1nccs1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012094242 558325084 /nfs/dbraw/zinc/32/50/84/558325084.db2.gz UYSOJSIBFWFIQT-UHFFFAOYSA-N 1 3 412.578 4.459 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347230 /nfs/dbraw/zinc/34/72/30/558347230.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 1 3 418.585 4.472 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347232 /nfs/dbraw/zinc/34/72/32/558347232.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 1 3 418.585 4.472 50 0 HIAAHO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(CC3CCCCC3)CC2)CC1 ZINC000012589109 558435146 /nfs/dbraw/zinc/43/51/46/558435146.db2.gz UGYVEGYSKFBNRR-UHFFFAOYSA-N 1 3 411.634 4.102 50 0 HIAAHO Cc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000022925769 558523263 /nfs/dbraw/zinc/52/32/63/558523263.db2.gz ISMVFGRJHQUPSD-NRFANRHFSA-N 1 3 404.668 4.394 50 0 HIAAHO Cc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000022925769 558523264 /nfs/dbraw/zinc/52/32/64/558523264.db2.gz ISMVFGRJHQUPSD-NRFANRHFSA-N 1 3 404.668 4.394 50 0 HIAAHO O=C(/C=C/c1ccco1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014969127 558686922 /nfs/dbraw/zinc/68/69/22/558686922.db2.gz RISNANCGNDEBDH-GNNUASRNSA-N 1 3 413.606 4.262 50 0 HIAAHO O=C(/C=C/c1ccco1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014969127 558686925 /nfs/dbraw/zinc/68/69/25/558686925.db2.gz RISNANCGNDEBDH-GNNUASRNSA-N 1 3 413.606 4.262 50 0 HIAAHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000058296854 558917089 /nfs/dbraw/zinc/91/70/89/558917089.db2.gz VYWOVHAJQHFSEJ-UHFFFAOYSA-N 1 3 407.558 4.062 50 0 HIAAHO CC(=O)c1ccc(NC(=O)CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000058296854 558917091 /nfs/dbraw/zinc/91/70/91/558917091.db2.gz VYWOVHAJQHFSEJ-UHFFFAOYSA-N 1 3 407.558 4.062 50 0 HIAAHO Cc1occc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014971749 558687496 /nfs/dbraw/zinc/68/74/96/558687496.db2.gz ZWEYGQJTVUWFLA-OAQYLSRUSA-N 1 3 401.595 4.171 50 0 HIAAHO Cc1occc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014971749 558687499 /nfs/dbraw/zinc/68/74/99/558687499.db2.gz ZWEYGQJTVUWFLA-OAQYLSRUSA-N 1 3 401.595 4.171 50 0 HIAAHO CCC(CC)[C@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000058193382 558910754 /nfs/dbraw/zinc/91/07/54/558910754.db2.gz UKLXUKMVKANWEP-QFIPXVFZSA-N 1 3 420.667 4.160 50 0 HIAAHO CN1CCN(CCc2ccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677883 /nfs/dbraw/zinc/67/78/83/568677883.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 1 3 420.645 4.332 50 0 HIAAHO CN1CCN(CCc2ccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677885 /nfs/dbraw/zinc/67/78/85/568677885.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 1 3 420.645 4.332 50 0 HIAAHO Cc1cn2c(C[NH2+]CCCCN3CCN(c4cccc(C)c4)CC3)c(C)nc2s1 ZINC000237855614 569281907 /nfs/dbraw/zinc/28/19/07/569281907.db2.gz KWCDKBOLBWGUNW-UHFFFAOYSA-N 1 3 411.619 4.013 50 0 HIAAHO C[N@H+](Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360363 /nfs/dbraw/zinc/36/03/63/846360363.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 1 3 420.597 4.105 50 0 HIAAHO C[N@@H+](Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360374 /nfs/dbraw/zinc/36/03/74/846360374.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 1 3 420.597 4.105 50 0 HIAAHO CC(C)Cc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819473 558282610 /nfs/dbraw/zinc/28/26/10/558282610.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 1 3 402.627 4.244 50 0 HIAAHO O[C@@H](COc1cccc(CNCc2cccc(Cl)c2)c1)C[NH+]1CCCCCC1 ZINC000012715808 568918057 /nfs/dbraw/zinc/91/80/57/568918057.db2.gz GPUSANHPLAYCOC-JOCHJYFZSA-N 1 3 402.966 4.246 50 0 HIAAHO Cc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937890 845842120 /nfs/dbraw/zinc/84/21/20/845842120.db2.gz RYAAUYNJUPVZPJ-MHZLTWQESA-N 1 3 419.613 4.250 50 0 HIAAHO CCn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466063 845873552 /nfs/dbraw/zinc/87/35/52/845873552.db2.gz HAFDOKYGNYAMSX-VWLOTQADSA-N 1 3 410.606 4.105 50 0 HIAAHO CCn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466067 845873639 /nfs/dbraw/zinc/87/36/39/845873639.db2.gz HAFDOKYGNYAMSX-RUZDIDTESA-N 1 3 410.606 4.105 50 0 HIAAHO c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023361299 846688698 /nfs/dbraw/zinc/68/86/98/846688698.db2.gz OWDYJYBJYKQFRW-HSZRJFAPSA-N 1 3 424.658 4.131 50 0 HIAAHO c1cncc(CN(Cc2ccc3nonc3c2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011821684 558284739 /nfs/dbraw/zinc/28/47/39/558284739.db2.gz LZCKPEBRUNHOFG-UHFFFAOYSA-N 1 3 405.546 4.275 50 0 HIAAHO CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCN3CC)CC2)c2ccccc21 ZINC000012318805 558381498 /nfs/dbraw/zinc/38/14/98/558381498.db2.gz MLCWGYDIRHLNNU-HSZRJFAPSA-N 1 3 424.633 4.254 50 0 HIAAHO COCc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000020877902 558419714 /nfs/dbraw/zinc/41/97/14/558419714.db2.gz VRAFUDIFISRQAZ-JOCHJYFZSA-N 1 3 417.638 4.369 50 0 HIAAHO COCc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000020877902 558419716 /nfs/dbraw/zinc/41/97/16/558419716.db2.gz VRAFUDIFISRQAZ-JOCHJYFZSA-N 1 3 417.638 4.369 50 0 HIAAHO Cc1occc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014971753 558687541 /nfs/dbraw/zinc/68/75/41/558687541.db2.gz ZWEYGQJTVUWFLA-NRFANRHFSA-N 1 3 401.595 4.171 50 0 HIAAHO Cc1occc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014971753 558687545 /nfs/dbraw/zinc/68/75/45/558687545.db2.gz ZWEYGQJTVUWFLA-NRFANRHFSA-N 1 3 401.595 4.171 50 0 HIAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000011878647 558293080 /nfs/dbraw/zinc/29/30/80/558293080.db2.gz NOQFUIPYDONQAF-UHFFFAOYSA-N 1 3 417.981 4.270 50 0 HIAAHO C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012318249 558381346 /nfs/dbraw/zinc/38/13/46/558381346.db2.gz VMCRVRYVBUVJAI-UHFFFAOYSA-N 1 3 407.533 4.466 50 0 HIAAHO C[N@H+](Cc1cc(=O)c2ccccc2[nH]1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012318249 558381349 /nfs/dbraw/zinc/38/13/49/558381349.db2.gz VMCRVRYVBUVJAI-UHFFFAOYSA-N 1 3 407.533 4.466 50 0 HIAAHO CC1=C(CCN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)C(C)(C)CCC1 ZINC000022853372 558517348 /nfs/dbraw/zinc/51/73/48/558517348.db2.gz QWEWZMIMMQAGFB-HSZRJFAPSA-N 1 3 405.671 4.145 50 0 HIAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014955117 558682233 /nfs/dbraw/zinc/68/22/33/558682233.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 1 3 422.544 4.329 50 0 HIAAHO CN(Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014955117 558682236 /nfs/dbraw/zinc/68/22/36/558682236.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 1 3 422.544 4.329 50 0 HIAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875108 /nfs/dbraw/zinc/87/51/08/558875108.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 1 3 423.601 4.430 50 0 HIAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875112 /nfs/dbraw/zinc/87/51/12/558875112.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 1 3 423.601 4.430 50 0 HIAAHO CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)o1 ZINC000012373772 845868343 /nfs/dbraw/zinc/86/83/43/845868343.db2.gz IJGLEDYHLNBEJG-QHCPKHFHSA-N 1 3 423.601 4.225 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280690 /nfs/dbraw/zinc/28/06/90/558280690.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 1 3 409.574 4.040 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280694 /nfs/dbraw/zinc/28/06/94/558280694.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 1 3 409.574 4.040 50 0 HIAAHO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292542 /nfs/dbraw/zinc/29/25/42/558292542.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 1 3 418.585 4.267 50 0 HIAAHO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292546 /nfs/dbraw/zinc/29/25/46/558292546.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 1 3 418.585 4.267 50 0 HIAAHO COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905743 558420813 /nfs/dbraw/zinc/42/08/13/558420813.db2.gz MMCFHQLVJPMDDL-XMMPIXPASA-N 1 3 414.615 4.170 50 0 HIAAHO Oc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1 ZINC000012468889 558421251 /nfs/dbraw/zinc/42/12/51/558421251.db2.gz TZBHUTCVEKGOIN-DEOSSOPVSA-N 1 3 412.549 4.425 50 0 HIAAHO Oc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1 ZINC000012468889 558421253 /nfs/dbraw/zinc/42/12/53/558421253.db2.gz TZBHUTCVEKGOIN-DEOSSOPVSA-N 1 3 412.549 4.425 50 0 HIAAHO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CCC1CCN(c2ccncc2)CC1 ZINC000095458243 568619037 /nfs/dbraw/zinc/61/90/37/568619037.db2.gz IHNXMQFUQWYWOA-UHFFFAOYSA-N 1 3 400.954 4.302 50 0 HIAAHO C[N@H+](CCC(=O)Nc1ccccc1Cl)CCC1CCN(c2ccncc2)CC1 ZINC000095458243 568619038 /nfs/dbraw/zinc/61/90/38/568619038.db2.gz IHNXMQFUQWYWOA-UHFFFAOYSA-N 1 3 400.954 4.302 50 0 HIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000012597078 568869112 /nfs/dbraw/zinc/86/91/12/568869112.db2.gz ZQEMWEJHHDKESY-JOCHJYFZSA-N 1 3 418.622 4.061 50 0 HIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000012597078 568869113 /nfs/dbraw/zinc/86/91/13/568869113.db2.gz ZQEMWEJHHDKESY-JOCHJYFZSA-N 1 3 418.622 4.061 50 0 HIAAHO CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)o1 ZINC000012373771 845868503 /nfs/dbraw/zinc/86/85/03/845868503.db2.gz IJGLEDYHLNBEJG-HSZRJFAPSA-N 1 3 423.601 4.225 50 0 HIAAHO CCCCc1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819885 558282958 /nfs/dbraw/zinc/28/29/58/558282958.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 1 3 402.627 4.388 50 0 HIAAHO Cc1c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc2n1C ZINC000011934340 558298619 /nfs/dbraw/zinc/29/86/19/558298619.db2.gz TVHACCXRIFSJOA-NRFANRHFSA-N 1 3 424.633 4.032 50 0 HIAAHO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc2n1C ZINC000011934340 558298623 /nfs/dbraw/zinc/29/86/23/558298623.db2.gz TVHACCXRIFSJOA-NRFANRHFSA-N 1 3 424.633 4.032 50 0 HIAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073513 558318419 /nfs/dbraw/zinc/31/84/19/558318419.db2.gz CDGPDOSBQGQUKQ-VWLOTQADSA-N 1 3 422.544 4.030 50 0 HIAAHO COc1ccc(CC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)CC2CCN(C)CC2)cc1 ZINC000012315671 558379155 /nfs/dbraw/zinc/37/91/55/558379155.db2.gz BFQRAVNRMZEZLG-UHFFFAOYSA-N 1 3 419.569 4.336 50 0 HIAAHO COc1ccc(CC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)CC2CCN(C)CC2)cc1 ZINC000012315671 558379156 /nfs/dbraw/zinc/37/91/56/558379156.db2.gz BFQRAVNRMZEZLG-UHFFFAOYSA-N 1 3 419.569 4.336 50 0 HIAAHO COc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576741 558430919 /nfs/dbraw/zinc/43/09/19/558430919.db2.gz SRTLGOIHMRKSDN-QHCPKHFHSA-N 1 3 416.606 4.339 50 0 HIAAHO CN(Cc1cccn1-c1cccnc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449545 558663543 /nfs/dbraw/zinc/66/35/43/558663543.db2.gz ZNNSTFZYCBMIHJ-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO C[N@@H+](Cc1cccn1-c1cccnc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012449545 558663546 /nfs/dbraw/zinc/66/35/46/558663546.db2.gz ZNNSTFZYCBMIHJ-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO C[N@H+](Cc1cccn1-c1cccnc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012449545 558663549 /nfs/dbraw/zinc/66/35/49/558663549.db2.gz ZNNSTFZYCBMIHJ-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000015065586 558708637 /nfs/dbraw/zinc/70/86/37/558708637.db2.gz WNOYQYHWPHCECZ-UHFFFAOYSA-N 1 3 412.574 4.099 50 0 HIAAHO CCc1ccc(C[NH+]2CCC(C(=O)N(CCN(C)C)Cc3ccccc3)CC2)cc1 ZINC000004679099 558890278 /nfs/dbraw/zinc/89/02/78/558890278.db2.gz MGQRYDIBBXATSN-UHFFFAOYSA-N 1 3 407.602 4.051 50 0 HIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)CC2)o1 ZINC000012456422 845872596 /nfs/dbraw/zinc/87/25/96/845872596.db2.gz XTYLQYZNCSIPTJ-UHFFFAOYSA-N 1 3 400.563 4.212 50 0 HIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)CC2)o1 ZINC000012456422 845872605 /nfs/dbraw/zinc/87/26/05/845872605.db2.gz XTYLQYZNCSIPTJ-UHFFFAOYSA-N 1 3 400.563 4.212 50 0 HIAAHO CCN(Cc1cnc(-c2ccccc2C)nc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011817190 558280348 /nfs/dbraw/zinc/28/03/48/558280348.db2.gz IXEOVVADVVUBJY-UHFFFAOYSA-N 1 3 421.633 4.080 50 0 HIAAHO Cc1ncc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000011818723 558281930 /nfs/dbraw/zinc/28/19/30/558281930.db2.gz OFXWSXNJSRKGSH-UHFFFAOYSA-N 1 3 403.574 4.336 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292504 /nfs/dbraw/zinc/29/25/04/558292504.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 1 3 412.574 4.099 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292507 /nfs/dbraw/zinc/29/25/07/558292507.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 1 3 412.574 4.099 50 0 HIAAHO C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012030819 558311211 /nfs/dbraw/zinc/31/12/11/558311211.db2.gz KCVFSUQTPWWCOE-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO C[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012030819 558311214 /nfs/dbraw/zinc/31/12/14/558311214.db2.gz KCVFSUQTPWWCOE-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO Cc1ccccc1CN(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000020201892 558345986 /nfs/dbraw/zinc/34/59/86/558345986.db2.gz XSPYSOUQHSMSOW-UHFFFAOYSA-N 1 3 406.618 4.198 50 0 HIAAHO CCCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1Br ZINC000020967563 558424867 /nfs/dbraw/zinc/42/48/67/558424867.db2.gz PHWUIZYSPVFQMN-UHFFFAOYSA-N 1 3 408.178 4.042 50 0 HIAAHO OCCNCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013733280 558587672 /nfs/dbraw/zinc/58/76/72/558587672.db2.gz KCEOYZBRFOFWMB-UHFFFAOYSA-N 1 3 406.357 4.058 50 0 HIAAHO OCCNCCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247755209 568745679 /nfs/dbraw/zinc/74/56/79/568745679.db2.gz YUVJUANRLIWXGY-UHFFFAOYSA-N 1 3 406.357 4.058 50 0 HIAAHO COc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc(Br)c1O ZINC000008039073 568970034 /nfs/dbraw/zinc/97/00/34/568970034.db2.gz OXYHROXTXRSMLJ-UHFFFAOYSA-N 1 3 405.336 4.049 50 0 HIAAHO CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938224 845842164 /nfs/dbraw/zinc/84/21/64/845842164.db2.gz KWDIRFMKOFAEPJ-HSZRJFAPSA-N 1 3 412.622 4.083 50 0 HIAAHO C[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865665 /nfs/dbraw/zinc/86/56/65/845865665.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 1 3 416.993 4.098 50 0 HIAAHO C[N@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865667 /nfs/dbraw/zinc/86/56/67/845865667.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 1 3 416.993 4.098 50 0 HIAAHO CN(Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439650 845871590 /nfs/dbraw/zinc/87/15/90/845871590.db2.gz LITGYBPBLBFSHO-XMMPIXPASA-N 1 3 419.569 4.092 50 0 HIAAHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006684 /nfs/dbraw/zinc/00/66/84/846006684.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006689 /nfs/dbraw/zinc/00/66/89/846006689.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1cc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006906 /nfs/dbraw/zinc/00/69/06/846006906.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 1 3 400.538 4.229 50 0 HIAAHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006918 /nfs/dbraw/zinc/00/69/18/846006918.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 1 3 400.538 4.229 50 0 HIAAHO CC(C)Cc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819472 558282696 /nfs/dbraw/zinc/28/26/96/558282696.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 1 3 402.627 4.244 50 0 HIAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CCN(C)CC1 ZINC000011842906 558287887 /nfs/dbraw/zinc/28/78/87/558287887.db2.gz OORXKGNSWLECSR-NRFANRHFSA-N 1 3 423.601 4.491 50 0 HIAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CCN(C)CC1 ZINC000011842906 558287891 /nfs/dbraw/zinc/28/78/91/558287891.db2.gz OORXKGNSWLECSR-NRFANRHFSA-N 1 3 423.601 4.491 50 0 HIAAHO CN(C1CCN(Cc2cccnc2)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019837739 558293189 /nfs/dbraw/zinc/29/31/89/558293189.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 1 3 406.618 4.075 50 0 HIAAHO CN(C1CCN(Cc2cccnc2)CC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019837739 558293191 /nfs/dbraw/zinc/29/31/91/558293191.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 1 3 406.618 4.075 50 0 HIAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCc1cccc(F)c1)C1CCCCC1 ZINC000012052398 558314603 /nfs/dbraw/zinc/31/46/03/558314603.db2.gz DOBKVKURJCPNQV-DEOSSOPVSA-N 1 3 414.565 4.162 50 0 HIAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCc1cccc(F)c1)C1CCCCC1 ZINC000012052398 558314604 /nfs/dbraw/zinc/31/46/04/558314604.db2.gz DOBKVKURJCPNQV-DEOSSOPVSA-N 1 3 414.565 4.162 50 0 HIAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073511 558318483 /nfs/dbraw/zinc/31/84/83/558318483.db2.gz CDGPDOSBQGQUKQ-RUZDIDTESA-N 1 3 422.544 4.030 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347110 /nfs/dbraw/zinc/34/71/10/558347110.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 1 3 418.585 4.472 50 0 HIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347112 /nfs/dbraw/zinc/34/71/12/558347112.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 1 3 418.585 4.472 50 0 HIAAHO Cc1ccc(CNCc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585849 558433849 /nfs/dbraw/zinc/43/38/49/558433849.db2.gz XSXLCZBLRZOHIX-XMMPIXPASA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1ccc(CNCc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585849 558433851 /nfs/dbraw/zinc/43/38/51/558433851.db2.gz XSXLCZBLRZOHIX-XMMPIXPASA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1ccc(CNCc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585854 558433954 /nfs/dbraw/zinc/43/39/54/558433954.db2.gz XSXLCZBLRZOHIX-DEOSSOPVSA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1ccc(CNCc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585854 558433956 /nfs/dbraw/zinc/43/39/56/558433956.db2.gz XSXLCZBLRZOHIX-DEOSSOPVSA-N 1 3 422.544 4.296 50 0 HIAAHO CCCn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711402 558452689 /nfs/dbraw/zinc/45/26/89/558452689.db2.gz WYYJHSSROOWZPR-XMMPIXPASA-N 1 3 402.627 4.237 50 0 HIAAHO O=C1CC[C@@H](CCNCc2ccccc2F)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000014998249 558696863 /nfs/dbraw/zinc/69/68/63/558696863.db2.gz GEDZGYUAGOTQDZ-NRFANRHFSA-N 1 3 401.570 4.095 50 0 HIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(SC)c2)CC1 ZINC000015061750 558704708 /nfs/dbraw/zinc/70/47/08/558704708.db2.gz QVTIXPVCBGHYAY-NRFANRHFSA-N 1 3 403.636 4.001 50 0 HIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(SC)c2)CC1 ZINC000015061750 558704709 /nfs/dbraw/zinc/70/47/09/558704709.db2.gz QVTIXPVCBGHYAY-NRFANRHFSA-N 1 3 403.636 4.001 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCCCn1ccnc1C ZINC000095995929 568678848 /nfs/dbraw/zinc/67/88/48/568678848.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000095995929 568678850 /nfs/dbraw/zinc/67/88/50/568678850.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 1 3 414.642 4.132 50 0 HIAAHO CCc1nc(C)c(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306676 845866874 /nfs/dbraw/zinc/86/68/74/845866874.db2.gz JEMPTBOLEKVFQF-XMMPIXPASA-N 1 3 424.633 4.482 50 0 HIAAHO CN(Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439649 845871635 /nfs/dbraw/zinc/87/16/35/845871635.db2.gz LITGYBPBLBFSHO-DEOSSOPVSA-N 1 3 419.569 4.092 50 0 HIAAHO C[N@H+](Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889286 /nfs/dbraw/zinc/88/92/86/845889286.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 1 3 420.597 4.105 50 0 HIAAHO C[N@@H+](Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889288 /nfs/dbraw/zinc/88/92/88/845889288.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 1 3 420.597 4.105 50 0 HIAAHO Cc1ccc(C[NH+]2CCC(c3nnc(SCCN4CCCCC4)n3C)CC2)s1 ZINC000011973894 558305245 /nfs/dbraw/zinc/30/52/45/558305245.db2.gz VSVTUBMJSBABBW-UHFFFAOYSA-N 1 3 419.664 4.143 50 0 HIAAHO COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905741 558420829 /nfs/dbraw/zinc/42/08/29/558420829.db2.gz MMCFHQLVJPMDDL-DEOSSOPVSA-N 1 3 414.615 4.170 50 0 HIAAHO COCc1cc(C[N@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)ccc1OC ZINC000012595983 558437716 /nfs/dbraw/zinc/43/77/16/558437716.db2.gz XCIZBBAEALPMSP-UHFFFAOYSA-N 1 3 414.565 4.367 50 0 HIAAHO COCc1cc(C[N@@H+](C)CC2CCN(CCc3ccc(F)cc3)CC2)ccc1OC ZINC000012595983 558437717 /nfs/dbraw/zinc/43/77/17/558437717.db2.gz XCIZBBAEALPMSP-UHFFFAOYSA-N 1 3 414.565 4.367 50 0 HIAAHO O=C(/C=C/c1ccco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014969122 558686825 /nfs/dbraw/zinc/68/68/25/558686825.db2.gz RISNANCGNDEBDH-CHHLAKQQSA-N 1 3 413.606 4.262 50 0 HIAAHO O=C(/C=C/c1ccco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014969122 558686828 /nfs/dbraw/zinc/68/68/28/558686828.db2.gz RISNANCGNDEBDH-CHHLAKQQSA-N 1 3 413.606 4.262 50 0 HIAAHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305009 558757051 /nfs/dbraw/zinc/75/70/51/558757051.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 1 3 405.586 4.024 50 0 HIAAHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305009 558757053 /nfs/dbraw/zinc/75/70/53/558757053.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 1 3 405.586 4.024 50 0 HIAAHO Cc1ccc(F)cc1CNCc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012595390 568869075 /nfs/dbraw/zinc/86/90/75/568869075.db2.gz FPQLIEARAXURTK-QHCPKHFHSA-N 1 3 400.538 4.040 50 0 HIAAHO C[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000012876342 569013666 /nfs/dbraw/zinc/01/36/66/569013666.db2.gz DEVUPQDYTUPFTL-HXUWFJFHSA-N 1 3 401.554 4.271 50 0 HIAAHO COCC[N@@H+](Cc1cccc(F)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012431817 845870489 /nfs/dbraw/zinc/87/04/89/845870489.db2.gz JPEKANOVPLJZBL-UHFFFAOYSA-N 1 3 400.538 4.195 50 0 HIAAHO COCC[N@H+](Cc1cccc(F)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012431817 845870492 /nfs/dbraw/zinc/87/04/92/845870492.db2.gz JPEKANOVPLJZBL-UHFFFAOYSA-N 1 3 400.538 4.195 50 0 HIAAHO COc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708766 558451053 /nfs/dbraw/zinc/45/10/53/558451053.db2.gz QQWPOQYVSDYXLX-DEOSSOPVSA-N 1 3 416.606 4.339 50 0 HIAAHO CCN(Cc1cccc2nonc21)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874467 /nfs/dbraw/zinc/87/44/67/558874467.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 1 3 408.546 4.008 50 0 HIAAHO CCN(Cc1cccc2nonc21)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874469 /nfs/dbraw/zinc/87/44/69/558874469.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 1 3 408.546 4.008 50 0 HIAAHO CCC(CC)[C@@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)[NH+]1CCCC1 ZINC000058193381 558910744 /nfs/dbraw/zinc/91/07/44/558910744.db2.gz UKLXUKMVKANWEP-JOCHJYFZSA-N 1 3 420.667 4.160 50 0 HIAAHO OCCNCCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247750784 568745721 /nfs/dbraw/zinc/74/57/21/568745721.db2.gz VLRFTXKROWKXNP-UHFFFAOYSA-N 1 3 406.357 4.058 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCCCn1ccnc1C ZINC000252511382 569291797 /nfs/dbraw/zinc/29/17/97/569291797.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 1 3 414.642 4.132 50 0 HIAAHO Cc1nccn1CCCCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCn1ccnc1C ZINC000252511382 569291799 /nfs/dbraw/zinc/29/17/99/569291799.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 1 3 414.642 4.132 50 0 HIAAHO c1ccc(COC2CC[NH+](Cc3ccc4c(c3)CN(CC3CC3)CCO4)CC2)cc1 ZINC000014986836 845996673 /nfs/dbraw/zinc/99/66/73/845996673.db2.gz NZNVOYSPJPXEEQ-UHFFFAOYSA-N 1 3 406.570 4.472 50 0 HIAAHO COc1ccc(CCN(Cc2csc(C(C)=O)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012297541 558367632 /nfs/dbraw/zinc/36/76/32/558367632.db2.gz VBKIKTJIVYSDDU-UHFFFAOYSA-N 1 3 400.588 4.346 50 0 HIAAHO O[C@H](COc1cccc(CNCc2cccc(Cl)c2)c1)C[NH+]1CCCCCC1 ZINC000012715813 568917957 /nfs/dbraw/zinc/91/79/57/568917957.db2.gz GPUSANHPLAYCOC-QFIPXVFZSA-N 1 3 402.966 4.246 50 0 HIAAHO CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938225 845841839 /nfs/dbraw/zinc/84/18/39/845841839.db2.gz KWDIRFMKOFAEPJ-QHCPKHFHSA-N 1 3 412.622 4.083 50 0 HIAAHO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(CC(C)(C)C)CCO3)C1 ZINC000012149168 845855897 /nfs/dbraw/zinc/85/58/97/845855897.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 1 3 415.622 4.008 50 0 HIAAHO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(CC(C)(C)C)CCO3)C1 ZINC000012149168 845855902 /nfs/dbraw/zinc/85/59/02/845855902.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 1 3 415.622 4.008 50 0 HIAAHO O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012315771 845867061 /nfs/dbraw/zinc/86/70/61/845867061.db2.gz MCBCCLBUWGFXCE-HSZRJFAPSA-N 1 3 411.615 4.131 50 0 HIAAHO CCc1ccc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000011821978 558285155 /nfs/dbraw/zinc/28/51/55/558285155.db2.gz NIPWLPPSJSNAHO-UHFFFAOYSA-N 1 3 420.645 4.452 50 0 HIAAHO CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc21 ZINC000011937198 558301137 /nfs/dbraw/zinc/30/11/37/558301137.db2.gz JLXNDINUQOSVFY-OAQYLSRUSA-N 1 3 424.633 4.206 50 0 HIAAHO CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc21 ZINC000011937198 558301139 /nfs/dbraw/zinc/30/11/39/558301139.db2.gz JLXNDINUQOSVFY-OAQYLSRUSA-N 1 3 424.633 4.206 50 0 HIAAHO Cc1ccc(CNCc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)s1 ZINC000012192336 558347810 /nfs/dbraw/zinc/34/78/10/558347810.db2.gz WDEYYECDJJRNGE-OAQYLSRUSA-N 1 3 402.604 4.351 50 0 HIAAHO Cc1ccc(CNCc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)s1 ZINC000012192336 558347814 /nfs/dbraw/zinc/34/78/14/558347814.db2.gz WDEYYECDJJRNGE-OAQYLSRUSA-N 1 3 402.604 4.351 50 0 HIAAHO CCOCc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1OC ZINC000012459811 558418875 /nfs/dbraw/zinc/41/88/75/558418875.db2.gz AJWHBABHGADVOB-UHFFFAOYSA-N 1 3 400.563 4.477 50 0 HIAAHO CCOCc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1OC ZINC000012459811 558418878 /nfs/dbraw/zinc/41/88/78/558418878.db2.gz AJWHBABHGADVOB-UHFFFAOYSA-N 1 3 400.563 4.477 50 0 HIAAHO C[N@@H+](Cc1cccn1-c1ccccn1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012448768 558642321 /nfs/dbraw/zinc/64/23/21/558642321.db2.gz RHOICYIVXHTWFT-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO C[N@H+](Cc1cccn1-c1ccccn1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012448768 558642324 /nfs/dbraw/zinc/64/23/24/558642324.db2.gz RHOICYIVXHTWFT-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687480 /nfs/dbraw/zinc/68/74/80/558687480.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 1 3 412.574 4.099 50 0 HIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687482 /nfs/dbraw/zinc/68/74/82/558687482.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 1 3 412.574 4.099 50 0 HIAAHO CCN(Cc1cccc2nonc21)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874518 /nfs/dbraw/zinc/87/45/18/558874518.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 1 3 408.546 4.008 50 0 HIAAHO CCN(Cc1cccc2nonc21)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874520 /nfs/dbraw/zinc/87/45/20/558874520.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 1 3 408.546 4.008 50 0 HIAAHO COC(=O)Cn1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000012320258 845868228 /nfs/dbraw/zinc/86/82/28/845868228.db2.gz DAWYQCMPRUXMJH-UHFFFAOYSA-N 1 3 423.557 4.060 50 0 HIAAHO COC(=O)Cn1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000012320258 845868231 /nfs/dbraw/zinc/86/82/31/845868231.db2.gz DAWYQCMPRUXMJH-UHFFFAOYSA-N 1 3 423.557 4.060 50 0 HIAAHO Cc1ccc(F)cc1CNCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000014954966 845994272 /nfs/dbraw/zinc/99/42/72/845994272.db2.gz HLLFVAQJJRZLRK-RUZDIDTESA-N 1 3 422.544 4.296 50 0 HIAAHO Cc1ccc(F)cc1CNCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014954966 845994280 /nfs/dbraw/zinc/99/42/80/845994280.db2.gz HLLFVAQJJRZLRK-RUZDIDTESA-N 1 3 422.544 4.296 50 0 HIAAHO CN(C1CCN(Cc2cccnc2)CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019837737 558293072 /nfs/dbraw/zinc/29/30/72/558293072.db2.gz ZLVLLOCBZQHYAD-AREMUKBSSA-N 1 3 406.618 4.075 50 0 HIAAHO CN(C1CCN(Cc2cccnc2)CC1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019837737 558293074 /nfs/dbraw/zinc/29/30/74/558293074.db2.gz ZLVLLOCBZQHYAD-AREMUKBSSA-N 1 3 406.618 4.075 50 0 HIAAHO CN(Cc1cccn1-c1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012308791 558377004 /nfs/dbraw/zinc/37/70/04/558377004.db2.gz GSGBTKOMMRLJQL-UHFFFAOYSA-N 1 3 406.549 4.398 50 0 HIAAHO COCC[N@@H+](Cc1ccc(OC)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014973909 558688590 /nfs/dbraw/zinc/68/85/90/558688590.db2.gz MYQZWMWTHNEZET-UHFFFAOYSA-N 1 3 412.574 4.064 50 0 HIAAHO COCC[N@H+](Cc1ccc(OC)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014973909 558688594 /nfs/dbraw/zinc/68/85/94/558688594.db2.gz MYQZWMWTHNEZET-UHFFFAOYSA-N 1 3 412.574 4.064 50 0 HIAAHO CCOc1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1CO ZINC000014980860 558691260 /nfs/dbraw/zinc/69/12/60/558691260.db2.gz UWZWGYWGIRHIPS-UHFFFAOYSA-N 1 3 414.565 4.103 50 0 HIAAHO CCOc1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)cc1CO ZINC000014980860 558691264 /nfs/dbraw/zinc/69/12/64/558691264.db2.gz UWZWGYWGIRHIPS-UHFFFAOYSA-N 1 3 414.565 4.103 50 0 HIAAHO CCOc1cc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871824 /nfs/dbraw/zinc/87/18/24/558871824.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 1 3 412.574 4.186 50 0 HIAAHO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871828 /nfs/dbraw/zinc/87/18/28/558871828.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 1 3 412.574 4.186 50 0 HIAAHO C[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000012876349 569013697 /nfs/dbraw/zinc/01/36/97/569013697.db2.gz DEVUPQDYTUPFTL-FQEVSTJZSA-N 1 3 401.554 4.271 50 0 HIAAHO CCc1nc(C)c(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306671 845866834 /nfs/dbraw/zinc/86/68/34/845866834.db2.gz JEMPTBOLEKVFQF-DEOSSOPVSA-N 1 3 424.633 4.482 50 0 HIAAHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849989003 /nfs/dbraw/zinc/98/90/03/849989003.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 1 3 402.966 4.441 50 0 HIAAHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849989009 /nfs/dbraw/zinc/98/90/09/849989009.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 1 3 402.966 4.441 50 0 HIAAHO CC(C)Oc1c(Br)cc(Br)cc1CNCC1CC[NH2+]CC1 ZINC000040719645 519777561 /nfs/dbraw/zinc/77/75/61/519777561.db2.gz OZJSNELWSCWIPK-UHFFFAOYSA-N 1 3 420.189 4.088 50 0 HIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cccn3-c3cccnc3)CC2)cc1 ZINC000011821503 558284749 /nfs/dbraw/zinc/28/47/49/558284749.db2.gz OLIUOQWALBKTGP-UHFFFAOYSA-N 1 3 418.585 4.267 50 0 HIAAHO OC[C@@]1(Cc2ccc(F)cc2)CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049379 558313656 /nfs/dbraw/zinc/31/36/56/558313656.db2.gz CESVNUOWKPJCMA-AREMUKBSSA-N 1 3 410.577 4.150 50 0 HIAAHO O[C@@H](COc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012314808 558378263 /nfs/dbraw/zinc/37/82/63/558378263.db2.gz DGEMQADHUMTSLA-OAQYLSRUSA-N 1 3 422.491 4.221 50 0 HIAAHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305010 558757020 /nfs/dbraw/zinc/75/70/20/558757020.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 1 3 405.586 4.024 50 0 HIAAHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305010 558757022 /nfs/dbraw/zinc/75/70/22/558757022.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 1 3 405.586 4.024 50 0 HIAAHO Cc1ccc(CN2CCC(CN(C)C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)o1 ZINC000095516794 559084590 /nfs/dbraw/zinc/08/45/90/559084590.db2.gz PIBLNWKDYAXPPE-IBGZPJMESA-N 1 3 401.576 4.058 50 0 HIAAHO COc1ccc(C(=O)Nc2cccc(CNCc3ccc(C[NH+](C)C)cc3)c2)cc1 ZINC000017319409 560708800 /nfs/dbraw/zinc/70/88/00/560708800.db2.gz WKMBXQBHOOCVFG-UHFFFAOYSA-N 1 3 403.526 4.299 50 0 HIAAHO Cc1nnc([C@@H]2CC3(CN2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187860 854233679 /nfs/dbraw/zinc/23/36/79/854233679.db2.gz COABDNARIUPWSG-QHCPKHFHSA-N 1 3 417.557 4.045 50 0 HIAAHO CC(C)[NH+](CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C ZINC000004213023 557529138 /nfs/dbraw/zinc/52/91/38/557529138.db2.gz YKFWMDHZMQLWBO-HSZRJFAPSA-N 1 3 408.030 4.448 50 0 in-man HIAAHO c1cc2c(c(CN(C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439455 558410785 /nfs/dbraw/zinc/41/07/85/558410785.db2.gz MYAHPKWXQVCGBS-JOCHJYFZSA-N 1 3 400.563 4.051 50 0 HIAAHO COc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708767 558451042 /nfs/dbraw/zinc/45/10/42/558451042.db2.gz QQWPOQYVSDYXLX-XMMPIXPASA-N 1 3 416.606 4.339 50 0 HIAAHO O=C1CC[C@H](CCNCc2ccccc2F)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000014998252 558696828 /nfs/dbraw/zinc/69/68/28/558696828.db2.gz GEDZGYUAGOTQDZ-OAQYLSRUSA-N 1 3 401.570 4.095 50 0 HIAAHO CN1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000067604951 558988680 /nfs/dbraw/zinc/98/86/80/558988680.db2.gz MEIFBNWDJAGNNE-UHFFFAOYSA-N 1 3 407.558 4.398 50 0 HIAAHO CN1CCN(CCc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677797 /nfs/dbraw/zinc/67/77/97/568677797.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 1 3 420.645 4.332 50 0 HIAAHO CN1CCN(CCc2ccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677799 /nfs/dbraw/zinc/67/77/99/568677799.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 1 3 420.645 4.332 50 0 HIAAHO