smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CC1(CN2CCCCCC2)CCOCC1 ZINC000052180821 519909832 /nfs/dbraw/zinc/90/98/32/519909832.db2.gz OUMNCUXLSFVNHQ-UHFFFAOYSA-N 1 3 268.445 2.659 10 0 CFAEHO CCCNCC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180821 519909836 /nfs/dbraw/zinc/90/98/36/519909836.db2.gz OUMNCUXLSFVNHQ-UHFFFAOYSA-N 1 3 268.445 2.659 10 0 CFAEHO CCC[NH2+]C[C@@](C)(CC)CN(CCC)CCN(C)C ZINC000051254384 519930490 /nfs/dbraw/zinc/93/04/90/519930490.db2.gz FRIZYASDUPEYCW-MRXNPFEDSA-N 1 3 271.493 2.676 10 0 CFAEHO CCCCOCC[NH2+]CCCN1CCCC[C@H]1C ZINC000049261898 520780316 /nfs/dbraw/zinc/78/03/16/520780316.db2.gz ARAUUOWFEAMAOG-OAHLLOKOSA-N 1 3 256.434 2.657 10 0 CFAEHO CCC(C)(C)N(C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429393 521308032 /nfs/dbraw/zinc/30/80/32/521308032.db2.gz NLPHNDLERPUERQ-GFCCVEGCSA-N 1 3 277.412 2.593 10 0 CFAEHO CCC(CC)[N@H+](CCOC)[C@@H](C)CCNC1CC1 ZINC000052573416 521562109 /nfs/dbraw/zinc/56/21/09/521562109.db2.gz LQSHCLJDCQGMBD-ZDUSSCGKSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC(CC)[N@@H+](CCOC)[C@@H](C)CCNC1CC1 ZINC000052573416 521562115 /nfs/dbraw/zinc/56/21/15/521562115.db2.gz LQSHCLJDCQGMBD-ZDUSSCGKSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC[N@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181209 521605401 /nfs/dbraw/zinc/60/54/01/521605401.db2.gz OVEIWQHYZFVWGU-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[N@@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181209 521605407 /nfs/dbraw/zinc/60/54/07/521605407.db2.gz OVEIWQHYZFVWGU-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCN1CCCCC1 ZINC000049575024 519697452 /nfs/dbraw/zinc/69/74/52/519697452.db2.gz AUHPPYMMPURGTE-JWTNVVGKSA-N 1 3 293.499 2.571 10 0 CFAEHO CC(C)C[N@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052182778 519714733 /nfs/dbraw/zinc/71/47/33/519714733.db2.gz FJHMMXSSLSKURF-UHFFFAOYSA-N 1 3 280.456 2.656 10 0 CFAEHO CC(C)C[N@@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052182778 519714735 /nfs/dbraw/zinc/71/47/35/519714735.db2.gz FJHMMXSSLSKURF-UHFFFAOYSA-N 1 3 280.456 2.656 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346232 519723640 /nfs/dbraw/zinc/72/36/40/519723640.db2.gz MPZOFTJHGLWXIX-IRXDYDNUSA-N 1 3 294.414 2.803 10 0 CFAEHO CC(C)C[NH2+]CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702278 519744112 /nfs/dbraw/zinc/74/41/12/519744112.db2.gz HLFVGXDYLVAGDG-QGZVFWFLSA-N 1 3 276.424 2.523 10 0 CFAEHO CC(C)[C@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181747 519811872 /nfs/dbraw/zinc/81/18/72/519811872.db2.gz LRXWPFIUDGOMIJ-AWEZNQCLSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)[C@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181747 519811873 /nfs/dbraw/zinc/81/18/73/519811873.db2.gz LRXWPFIUDGOMIJ-AWEZNQCLSA-N 1 3 268.445 2.512 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424745 519936817 /nfs/dbraw/zinc/93/68/17/519936817.db2.gz RERCNGHSVROZJR-MSOLQXFVSA-N 1 3 290.451 2.974 10 0 CFAEHO CCC[NH2+]C[C@](C)(CC)CN1CCN(C2CCCC2)CC1 ZINC000052063842 519940050 /nfs/dbraw/zinc/94/00/50/519940050.db2.gz LHPYHGLKNHVPJJ-SFHVURJKSA-N 1 3 295.515 2.963 10 0 CFAEHO CCN(CC1CC1)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000069239987 520957861 /nfs/dbraw/zinc/95/78/61/520957861.db2.gz ZFARBRIUVAPGKV-UHFFFAOYSA-N 1 3 282.472 2.761 10 0 CFAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239991 520957996 /nfs/dbraw/zinc/95/79/96/520957996.db2.gz KWWPFRWLWPAESL-KRWDZBQOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@@]1(CNC(C)(C)C)CCCOC1 ZINC000069239991 520958003 /nfs/dbraw/zinc/95/80/03/520958003.db2.gz KWWPFRWLWPAESL-KRWDZBQOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@@]1(CNC(C)(C)C)CCCOC1 ZINC000069239991 520958010 /nfs/dbraw/zinc/95/80/10/520958010.db2.gz KWWPFRWLWPAESL-KRWDZBQOSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC(C)(C)[N@H+](C)CCCC(=O)Nc1ccccc1CN ZINC000069429256 521301380 /nfs/dbraw/zinc/30/13/80/521301380.db2.gz ARHJSLLTFZDVAF-UHFFFAOYSA-N 1 3 291.439 2.984 10 0 CFAEHO CCC(C)(C)[N@@H+](C)CCCC(=O)Nc1ccccc1CN ZINC000069429256 521301389 /nfs/dbraw/zinc/30/13/89/521301389.db2.gz ARHJSLLTFZDVAF-UHFFFAOYSA-N 1 3 291.439 2.984 10 0 CFAEHO CCCN(CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181209 521605400 /nfs/dbraw/zinc/60/54/00/521605400.db2.gz OVEIWQHYZFVWGU-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCN(CCN(C)C)C[C@H]([NH2+]CC)c1ccccc1C ZINC000045688806 521656460 /nfs/dbraw/zinc/65/64/60/521656460.db2.gz LRYVYWVSZIVNNP-SFHVURJKSA-N 1 3 291.483 2.919 10 0 CFAEHO CC[C@H](C[NH2+]CC(C)C)N(CCN(C)C)CC(C)C ZINC000052503288 522194546 /nfs/dbraw/zinc/19/45/46/522194546.db2.gz SDAGOJXEPJFOBB-MRXNPFEDSA-N 1 3 271.493 2.530 10 0 CFAEHO CN[C@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331909 522451985 /nfs/dbraw/zinc/45/19/85/522451985.db2.gz HLMWRERAEPMXDD-CQSZACIVSA-N 1 3 262.397 2.832 10 0 CFAEHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553200 522909012 /nfs/dbraw/zinc/90/90/12/522909012.db2.gz XHLDYRQEHASZMF-SWLSCSKDSA-N 1 3 250.386 2.773 10 0 CFAEHO Cc1ccc(C)c(OCCN2CCCC[C@H]2CC[NH3+])c1 ZINC000070149890 524178065 /nfs/dbraw/zinc/17/80/65/524178065.db2.gz LBXAKHAVRIRQOG-INIZCTEOSA-N 1 3 276.424 2.886 10 0 CFAEHO C[C@H]([NH3+])c1ccc(F)cc1OCCN1CCCCC1 ZINC000062745360 524865470 /nfs/dbraw/zinc/86/54/70/524865470.db2.gz DEGQPYRWVAIGJC-LBPRGKRZSA-N 1 3 266.360 2.710 10 0 CFAEHO Cc1nc([C@@H](C)N[C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442004 574355159 /nfs/dbraw/zinc/35/51/59/574355159.db2.gz AAGFDMJTAFJNGQ-GHMZBOCLSA-N 1 3 267.442 2.832 10 0 CFAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CSC4)[C@H]3C2)cc1 ZINC000396468777 574355794 /nfs/dbraw/zinc/35/57/94/574355794.db2.gz VTFNHYIZJQWSKT-XIRDDKMYSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CSC4)[C@H]3C2)cc1 ZINC000396468777 574355797 /nfs/dbraw/zinc/35/57/97/574355797.db2.gz VTFNHYIZJQWSKT-XIRDDKMYSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468777 574355799 /nfs/dbraw/zinc/35/57/99/574355799.db2.gz VTFNHYIZJQWSKT-XIRDDKMYSA-N 1 3 288.460 2.602 10 0 CFAEHO CCC[C@@H]1CC[NH2+]C2(CCN(CC(C)C)CC2)O1 ZINC000757140354 617796091 /nfs/dbraw/zinc/79/60/91/617796091.db2.gz BAQAOSSWSCQNJL-CQSZACIVSA-N 1 3 254.418 2.613 10 0 CFAEHO c1ccc(SCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000129154621 645091496 /nfs/dbraw/zinc/09/14/96/645091496.db2.gz FLKMRAWXCNZCPR-ZDUSSCGKSA-N 1 3 250.411 2.510 10 0 CFAEHO CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(C)cc21 ZINC000082509311 178075328 /nfs/dbraw/zinc/07/53/28/178075328.db2.gz GJRUCBXQAKZOTC-HNNXBMFYSA-N 1 3 274.408 2.893 10 0 CFAEHO C[NH+](C)C[C@@H]1CCC[C@@H]2CN(Cc3ccncc3F)C[C@@H]21 ZINC000096081868 185090535 /nfs/dbraw/zinc/09/05/35/185090535.db2.gz HBFUXDFARQABOB-SQWLQELKSA-N 1 3 291.414 2.630 10 0 CFAEHO CN(C)Cc1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818564 179347492 /nfs/dbraw/zinc/34/74/92/179347492.db2.gz CMTNIZPPUXMPFD-OAHLLOKOSA-N 1 3 261.413 2.644 10 0 CFAEHO CN(C)Cc1ccccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818564 179347495 /nfs/dbraw/zinc/34/74/95/179347495.db2.gz CMTNIZPPUXMPFD-OAHLLOKOSA-N 1 3 261.413 2.644 10 0 CFAEHO C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000171050884 348067916 /nfs/dbraw/zinc/06/79/16/348067916.db2.gz HKYHFRUGRQFQJA-XOQYZJNISA-N 1 3 288.435 2.526 10 0 CFAEHO C[N@@H+]1CCC[C@@H](NCc2cc3c(s2)CCC3)CC1 ZINC000086818866 179348764 /nfs/dbraw/zinc/34/87/64/179348764.db2.gz ZFTZNZKDJUYNJV-CYBMUJFWSA-N 1 3 264.438 2.811 10 0 CFAEHO C[N@H+]1CCC[C@@H](NCc2cc3c(s2)CCC3)CC1 ZINC000086818866 179348765 /nfs/dbraw/zinc/34/87/65/179348765.db2.gz ZFTZNZKDJUYNJV-CYBMUJFWSA-N 1 3 264.438 2.811 10 0 CFAEHO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818246 179346785 /nfs/dbraw/zinc/34/67/85/179346785.db2.gz ZFBVLAAVUQDTLV-TZMCWYRMSA-N 1 3 280.387 2.969 10 0 CFAEHO CC(C)N1CCC[C@@](CN)([N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356203 /nfs/dbraw/zinc/35/62/03/179356203.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 1 3 281.488 2.700 10 0 CFAEHO CC(C)N1CCC[C@@](CN)([N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000086848717 179356206 /nfs/dbraw/zinc/35/62/06/179356206.db2.gz FCUGKLYLHPJYOF-IAGOWNOFSA-N 1 3 281.488 2.700 10 0 CFAEHO CCCCOCCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842324 179352497 /nfs/dbraw/zinc/35/24/97/179352497.db2.gz YJLASZHVDFMVNK-HNNXBMFYSA-N 1 3 256.434 2.656 10 0 CFAEHO CCCCOCCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842324 179352498 /nfs/dbraw/zinc/35/24/98/179352498.db2.gz YJLASZHVDFMVNK-HNNXBMFYSA-N 1 3 256.434 2.656 10 0 CFAEHO CCCCOCC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086842324 179352499 /nfs/dbraw/zinc/35/24/99/179352499.db2.gz YJLASZHVDFMVNK-HNNXBMFYSA-N 1 3 256.434 2.656 10 0 CFAEHO C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000255113777 348303063 /nfs/dbraw/zinc/30/30/63/348303063.db2.gz HKYHFRUGRQFQJA-QIPRVMPFSA-N 1 3 288.435 2.526 10 0 CFAEHO CCCCN1CCC([NH2+]Cc2cccn2CC)CC1 ZINC000091025212 180089456 /nfs/dbraw/zinc/08/94/56/180089456.db2.gz QMGRGVVMZIDPAK-UHFFFAOYSA-N 1 3 263.429 2.862 10 0 CFAEHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841576 355604196 /nfs/dbraw/zinc/60/41/96/355604196.db2.gz MMTCCONIDRGJGX-PWSUYJOCSA-N 1 3 272.314 2.732 10 0 CFAEHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000222951231 541326704 /nfs/dbraw/zinc/32/67/04/541326704.db2.gz QJQWEGGFHSKKKG-NOOOWODRSA-N 1 3 264.335 2.967 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000120452058 376617198 /nfs/dbraw/zinc/61/71/98/376617198.db2.gz QIZCVWWEWRRGDX-DVOMOZLQSA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)CC(C)(C)C1 ZINC000174354926 379870915 /nfs/dbraw/zinc/87/09/15/379870915.db2.gz KAGWAQNCAWGEIR-IAGOWNOFSA-N 1 3 295.515 2.818 10 0 CFAEHO C[C@H](CCOCc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400335738 380857268 /nfs/dbraw/zinc/85/72/68/380857268.db2.gz FWNSEYWEKAMICZ-INMHGKMJSA-N 1 3 276.424 2.569 10 0 CFAEHO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000382471440 382530307 /nfs/dbraw/zinc/53/03/07/382530307.db2.gz PYUXOBWIDXLZPK-QWHCGFSZSA-N 1 3 255.365 2.504 10 0 CFAEHO N[C@H](CCCC[NH3+])c1c(F)ccc(Br)c1F ZINC000575440288 382771701 /nfs/dbraw/zinc/77/17/01/382771701.db2.gz ZMZUEHZZKLZZTN-SECBINFHSA-N 1 3 293.155 2.856 10 0 CFAEHO CN(Cc1ccnc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000231459805 382864845 /nfs/dbraw/zinc/86/48/45/382864845.db2.gz LOYGTXHHTMSVAL-HNNXBMFYSA-N 1 3 269.392 2.809 10 0 CFAEHO CCC[C@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000233395593 382871119 /nfs/dbraw/zinc/87/11/19/382871119.db2.gz YNWRJFLQSHEONA-XJKSGUPXSA-N 1 3 259.397 2.829 10 0 CFAEHO c1ccc(COCCC2(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000423048462 383030240 /nfs/dbraw/zinc/03/02/40/383030240.db2.gz IEEBPQXNUZZVLJ-UHFFFAOYSA-N 1 3 288.435 2.715 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261780847 383559661 /nfs/dbraw/zinc/55/96/61/383559661.db2.gz PLGKNVGOAVMOOB-USXIJHARSA-N 1 3 274.408 2.643 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261807164 383564430 /nfs/dbraw/zinc/56/44/30/383564430.db2.gz RXAKZAGJXXICSM-APHBMKBZSA-N 1 3 270.376 2.910 10 0 CFAEHO Cn1c2ccccc2c(C[NH+]2CCCCC2)c1CN ZINC000009239731 170368151 /nfs/dbraw/zinc/36/81/51/170368151.db2.gz SGCJAICNELXXOD-UHFFFAOYSA-N 1 3 257.381 2.623 10 0 CFAEHO CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000022156395 171362297 /nfs/dbraw/zinc/36/22/97/171362297.db2.gz PQOHIMQJTHBYAS-CYBMUJFWSA-N 1 3 277.412 2.594 10 0 CFAEHO CCC[NH+]1CCC([C@@H](C)NCc2ccco2)CC1 ZINC000037208428 173030702 /nfs/dbraw/zinc/03/07/02/173030702.db2.gz FCSPOEWIVWBYMA-CYBMUJFWSA-N 1 3 250.386 2.880 10 0 CFAEHO CN(C)CCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037213760 173033907 /nfs/dbraw/zinc/03/39/07/173033907.db2.gz RBAVIXSFRCVGMJ-AWEZNQCLSA-N 1 3 250.411 2.516 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221152 173040165 /nfs/dbraw/zinc/04/01/65/173040165.db2.gz CFTDONRFUZADAJ-CHWSQXEVSA-N 1 3 252.427 2.958 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221362 173040871 /nfs/dbraw/zinc/04/08/71/173040871.db2.gz JNUFNXJWNAGZOZ-HZPDHXFCSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[N@H+](Cc1cccc(Cl)c1)C1CCNCC1 ZINC000037538707 173258768 /nfs/dbraw/zinc/25/87/68/173258768.db2.gz GEZLSZNLQOCEJI-UHFFFAOYSA-N 1 3 252.789 2.914 10 0 CFAEHO CC[N@@H+](Cc1cccc(Cl)c1)C1CCNCC1 ZINC000037538707 173258769 /nfs/dbraw/zinc/25/87/69/173258769.db2.gz GEZLSZNLQOCEJI-UHFFFAOYSA-N 1 3 252.789 2.914 10 0 CFAEHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283246 414246600 /nfs/dbraw/zinc/24/66/00/414246600.db2.gz JWQIKJWWBFZOBY-NUEKZKHPSA-N 1 3 268.445 2.559 10 0 CFAEHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCCCC1 ZINC000665283246 414246609 /nfs/dbraw/zinc/24/66/09/414246609.db2.gz JWQIKJWWBFZOBY-NUEKZKHPSA-N 1 3 268.445 2.559 10 0 CFAEHO CCN[C@H](C)c1ccccc1OCCC[NH+](C)C ZINC000040240408 174212518 /nfs/dbraw/zinc/21/25/18/174212518.db2.gz AZXMRCJOSQJLME-CYBMUJFWSA-N 1 3 250.386 2.688 10 0 CFAEHO C[C@@H](N)c1c(F)cccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240643 174213793 /nfs/dbraw/zinc/21/37/93/174213793.db2.gz UJYRQFVQOUPGEW-NEPJUHHUSA-N 1 3 266.360 2.709 10 0 CFAEHO C[C@@H](N)c1c(F)cccc1OCC[C@@H]1CCC[N@H+]1C ZINC000040240643 174213796 /nfs/dbraw/zinc/21/37/96/174213796.db2.gz UJYRQFVQOUPGEW-NEPJUHHUSA-N 1 3 266.360 2.709 10 0 CFAEHO Cn1cc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000040749439 174393866 /nfs/dbraw/zinc/39/38/66/174393866.db2.gz VKDKDVPVINYDJI-GOOCMWNKSA-N 1 3 269.392 2.632 10 0 CFAEHO Cc1cccc(OCCCN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750028 174394782 /nfs/dbraw/zinc/39/47/82/174394782.db2.gz UTWPAJLFKSEZGZ-MQVJKMGUSA-N 1 3 274.408 2.718 10 0 CFAEHO CC[C@H]([NH3+])Cc1ccc(OCCN(C)C)c(Cl)c1 ZINC000043492829 175057818 /nfs/dbraw/zinc/05/78/18/175057818.db2.gz HMYMZIBOXQSZRH-LBPRGKRZSA-N 1 3 270.804 2.560 10 0 CFAEHO CC(C)N1CCN([C@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000043534818 175063034 /nfs/dbraw/zinc/06/30/34/175063034.db2.gz BLDSKRYGWFILER-WMZOPIPTSA-N 1 3 289.467 2.534 10 0 CFAEHO C[NH2+]Cc1ccccc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000043559853 175065776 /nfs/dbraw/zinc/06/57/76/175065776.db2.gz QQNAFMNXCYTNNM-MJBXVCDLSA-N 1 3 289.423 2.606 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCN(CCC)CC1 ZINC000043805618 175107391 /nfs/dbraw/zinc/10/73/91/175107391.db2.gz HPVDIMYXRWTQRE-DLBZAZTESA-N 1 3 281.488 2.715 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805639 175107419 /nfs/dbraw/zinc/10/74/19/175107419.db2.gz GCOOCAHZPYUIFW-KURKYZTESA-N 1 3 295.515 2.961 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CCC)CC1 ZINC000043805612 175107502 /nfs/dbraw/zinc/10/75/02/175107502.db2.gz HPVDIMYXRWTQRE-SJORKVTESA-N 1 3 281.488 2.715 10 0 CFAEHO CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000043807528 175108575 /nfs/dbraw/zinc/10/85/75/175108575.db2.gz MYTMNSPZPQFXPA-ZDUSSCGKSA-N 1 3 262.397 2.962 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815414 175112245 /nfs/dbraw/zinc/11/22/45/175112245.db2.gz QOXMTMQDNDIFKM-IAGOWNOFSA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818370 175113018 /nfs/dbraw/zinc/11/30/18/175113018.db2.gz XCMIHVCKHICYED-ZACQAIPSSA-N 1 3 295.515 2.817 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818580 175113900 /nfs/dbraw/zinc/11/39/00/175113900.db2.gz MGFXLEOCCPOJIF-JKSUJKDBSA-N 1 3 269.477 2.571 10 0 CFAEHO CC[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000043965560 175127170 /nfs/dbraw/zinc/12/71/70/175127170.db2.gz SVCGAVNVXHNSSM-KRWDZBQOSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965702 175127327 /nfs/dbraw/zinc/12/73/27/175127327.db2.gz FBIBQPDUXPYLAB-LSDHHAIUSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965579 175127340 /nfs/dbraw/zinc/12/73/40/175127340.db2.gz WHBVBYXMFWVCMT-CVEARBPZSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965667 175127462 /nfs/dbraw/zinc/12/74/62/175127462.db2.gz WWTXCSTWIVOAJY-ULQDDVLXSA-N 1 3 295.515 2.959 10 0 CFAEHO CC[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044133029 175145285 /nfs/dbraw/zinc/14/52/85/175145285.db2.gz PYVHIOUBRDROGJ-SJORKVTESA-N 1 3 276.424 2.525 10 0 CFAEHO [NH3+]CC1CCN([C@H](c2ccccc2)c2ccccn2)CC1 ZINC000044512013 175188419 /nfs/dbraw/zinc/18/84/19/175188419.db2.gz VESIONZZPWDHMC-GOSISDBHSA-N 1 3 281.403 2.842 10 0 CFAEHO CCn1cc(CN2CCC[C@H](C[NH3+])C2)c2ccccc21 ZINC000044528022 175192601 /nfs/dbraw/zinc/19/26/01/175192601.db2.gz VUSIHJGEACDCPX-CQSZACIVSA-N 1 3 271.408 2.832 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000044746869 175242498 /nfs/dbraw/zinc/24/24/98/175242498.db2.gz QUKJMSKPXBBWRB-QGZVFWFLSA-N 1 3 274.408 2.845 10 0 CFAEHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747450 175243313 /nfs/dbraw/zinc/24/33/13/175243313.db2.gz XNHVFZXHELYPPT-QGZVFWFLSA-N 1 3 274.408 2.844 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)N(CCN(C)C)CC(C)C ZINC000044808127 175257118 /nfs/dbraw/zinc/25/71/18/175257118.db2.gz CXBIBFRJXAFJOY-UHFFFAOYSA-N 1 3 299.503 2.578 10 0 CFAEHO CC1(C)CN(C[C@@H]2CCCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000261569207 278334679 /nfs/dbraw/zinc/33/46/79/278334679.db2.gz JPUZFWSHDVLHNY-VXGBXAGGSA-N 1 3 260.372 2.871 10 0 CFAEHO C[C@@H]1CN(c2ccnc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000311821109 288270525 /nfs/dbraw/zinc/27/05/25/288270525.db2.gz QIVKLKIEDHBXSK-MLGOLLRUSA-N 1 3 255.365 2.656 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460669 281072762 /nfs/dbraw/zinc/07/27/62/281072762.db2.gz YVZMIHPVCSDYSD-BRWVUGGUSA-N 1 3 283.504 2.863 10 0 CFAEHO C[C@@H](NCCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089555 290347009 /nfs/dbraw/zinc/34/70/09/290347009.db2.gz OIPCLWDMJPSJDQ-ZIAGYGMSSA-N 1 3 264.438 2.756 10 0 CFAEHO C[C@@H]([NH2+]CCSc1ccccc1)[C@@H]1CCCNC1 ZINC000566089555 290347012 /nfs/dbraw/zinc/34/70/12/290347012.db2.gz OIPCLWDMJPSJDQ-ZIAGYGMSSA-N 1 3 264.438 2.756 10 0 CFAEHO CCC[NH2+]CC1(CN(C)C[C@H](C)CC)CCOCC1 ZINC000052181442 519909478 /nfs/dbraw/zinc/90/94/78/519909478.db2.gz WZIYQWWLEBUQDA-OAHLLOKOSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181442 519909480 /nfs/dbraw/zinc/90/94/80/519909480.db2.gz WZIYQWWLEBUQDA-OAHLLOKOSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181442 519909484 /nfs/dbraw/zinc/90/94/84/519909484.db2.gz WZIYQWWLEBUQDA-OAHLLOKOSA-N 1 3 270.461 2.761 10 0 CFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CSC ZINC000069444465 519911300 /nfs/dbraw/zinc/91/13/00/519911300.db2.gz WKZCKLRRLKEKNW-RLAWYHOSSA-N 1 3 256.459 2.590 10 0 CFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CSC ZINC000069444465 519911307 /nfs/dbraw/zinc/91/13/07/519911307.db2.gz WKZCKLRRLKEKNW-RLAWYHOSSA-N 1 3 256.459 2.590 10 0 CFAEHO CCNCC1(C[N@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181376 519912852 /nfs/dbraw/zinc/91/28/52/519912852.db2.gz CCKCIRVQYNCCOM-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO CCNCC1(C[N@@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181376 519912854 /nfs/dbraw/zinc/91/28/54/519912854.db2.gz CCKCIRVQYNCCOM-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO C[NH2+]C[C@H]1CC[C@H](CN(C)Cc2cccc(Cl)c2)O1 ZINC000052508243 522095681 /nfs/dbraw/zinc/09/56/81/522095681.db2.gz UKCDSKRBHKCXTL-HUUCEWRRSA-N 1 3 282.815 2.539 10 0 CFAEHO CC[C@H](N)[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513966 522337986 /nfs/dbraw/zinc/33/79/86/522337986.db2.gz PZARZGKRFSBPRR-JKSUJKDBSA-N 1 3 278.440 2.633 10 0 CFAEHO CC[C@H](N)[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513966 522337994 /nfs/dbraw/zinc/33/79/94/522337994.db2.gz PZARZGKRFSBPRR-JKSUJKDBSA-N 1 3 278.440 2.633 10 0 CFAEHO CC(C)(C)[NH2+]CC(C)(C)CN1CCC[C@H]1CCCO ZINC000052763384 518754241 /nfs/dbraw/zinc/75/42/41/518754241.db2.gz WMJOBRUDBIFSFN-AWEZNQCLSA-N 1 3 270.461 2.638 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419172 519724024 /nfs/dbraw/zinc/72/40/24/519724024.db2.gz YXWBVOHVKNDUMR-ZWKOTPCHSA-N 1 3 288.435 2.590 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCCC[C@H]2C)CCOCC1 ZINC000052180706 519742723 /nfs/dbraw/zinc/74/27/23/519742723.db2.gz BNUZIFOJRJISNM-MRXNPFEDSA-N 1 3 282.472 2.903 10 0 CFAEHO CC(C)C[NH2+]CC1(CN(C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181794 519742774 /nfs/dbraw/zinc/74/27/74/519742774.db2.gz ROERVGUFLZMPPW-HNNXBMFYSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)OCCN1CCCCC1 ZINC000052670634 519794875 /nfs/dbraw/zinc/79/48/75/519794875.db2.gz MVVJFRBJBRGGQX-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CCCSC)C1 ZINC000069434245 519852244 /nfs/dbraw/zinc/85/22/44/519852244.db2.gz XVOKBMPJASPGPT-ZIAGYGMSSA-N 1 3 258.475 2.840 10 0 CFAEHO CCCN1CCN([C@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052422108 519859668 /nfs/dbraw/zinc/85/96/68/519859668.db2.gz GPLRFSCNUYFSCX-GOSISDBHSA-N 1 3 287.451 2.507 10 0 CFAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)CSC ZINC000069444465 519911296 /nfs/dbraw/zinc/91/12/96/519911296.db2.gz WKZCKLRRLKEKNW-RLAWYHOSSA-N 1 3 256.459 2.590 10 0 CFAEHO CCC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000052417261 519912215 /nfs/dbraw/zinc/91/22/15/519912215.db2.gz SQFUHOLMEYKNIG-UHFFFAOYSA-N 1 3 275.440 2.588 10 0 CFAEHO CCC[N@H+](CC)Cc1cc(CNCC(C)C)no1 ZINC000052448337 521613032 /nfs/dbraw/zinc/61/30/32/521613032.db2.gz VMLFALXJZXVZGC-UHFFFAOYSA-N 1 3 253.390 2.652 10 0 CFAEHO CCC[N@@H+](CC)Cc1cc(CNCC(C)C)no1 ZINC000052448337 521613035 /nfs/dbraw/zinc/61/30/35/521613035.db2.gz VMLFALXJZXVZGC-UHFFFAOYSA-N 1 3 253.390 2.652 10 0 CFAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCc1ccccc1 ZINC000054601414 521952296 /nfs/dbraw/zinc/95/22/96/521952296.db2.gz SBXPXJSRAKEUFA-ALOPSCKCSA-N 1 3 258.409 2.834 10 0 CFAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCc1cccs1 ZINC000054626807 521956465 /nfs/dbraw/zinc/95/64/65/521956465.db2.gz COVKVBSYOYHBRE-YHWZYXNKSA-N 1 3 250.411 2.505 10 0 CFAEHO C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccc(Cl)c2)O1 ZINC000052508240 522058021 /nfs/dbraw/zinc/05/80/21/522058021.db2.gz UKCDSKRBHKCXTL-LSDHHAIUSA-N 1 3 282.815 2.539 10 0 CFAEHO CNCc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000052381355 522140634 /nfs/dbraw/zinc/14/06/34/522140634.db2.gz ATRJGXNQHZVTPC-AWEZNQCLSA-N 1 3 262.397 2.517 10 0 CFAEHO CNCc1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000052381355 522140645 /nfs/dbraw/zinc/14/06/45/522140645.db2.gz ATRJGXNQHZVTPC-AWEZNQCLSA-N 1 3 262.397 2.517 10 0 CFAEHO CNCc1ccccc1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420693 522140935 /nfs/dbraw/zinc/14/09/35/522140935.db2.gz CGLSRBSTYWJDKF-HUUCEWRRSA-N 1 3 276.424 2.763 10 0 CFAEHO CNCc1coc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373107 522149675 /nfs/dbraw/zinc/14/96/75/522149675.db2.gz WEBFEJFHXWOCEA-MRXNPFEDSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1coc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373107 522149682 /nfs/dbraw/zinc/14/96/82/522149682.db2.gz WEBFEJFHXWOCEA-MRXNPFEDSA-N 1 3 270.376 2.989 10 0 CFAEHO CC[C@H](C[NH2+]C(C)(C)C)N(CCN(C)C)CC(C)C ZINC000052503285 522190114 /nfs/dbraw/zinc/19/01/14/522190114.db2.gz OCYDWHAPVXEQPF-OAHLLOKOSA-N 1 3 271.493 2.673 10 0 CFAEHO CC[C@@H](N)[C@@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513969 522647630 /nfs/dbraw/zinc/64/76/30/522647630.db2.gz PZARZGKRFSBPRR-HZPDHXFCSA-N 1 3 278.440 2.633 10 0 CFAEHO CC[C@@H](N)[C@@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513969 522647640 /nfs/dbraw/zinc/64/76/40/522647640.db2.gz PZARZGKRFSBPRR-HZPDHXFCSA-N 1 3 278.440 2.633 10 0 CFAEHO CC[C@H]1CCCN(CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181828 523088900 /nfs/dbraw/zinc/08/89/00/523088900.db2.gz QLYSNSQSGWNQRG-INIZCTEOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@H]1CCC[N@H+](CC2(CNC(C)C)CCOCC2)C1 ZINC000052181828 523088910 /nfs/dbraw/zinc/08/89/10/523088910.db2.gz QLYSNSQSGWNQRG-INIZCTEOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@H]1CCC[N@@H+](CC2(CNC(C)C)CCOCC2)C1 ZINC000052181828 523088920 /nfs/dbraw/zinc/08/89/20/523088920.db2.gz QLYSNSQSGWNQRG-INIZCTEOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@@H]1CCCN(CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052181826 523249908 /nfs/dbraw/zinc/24/99/08/523249908.db2.gz QLYSNSQSGWNQRG-MRXNPFEDSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@@H]1CCC[N@H+](CC2(CNC(C)C)CCOCC2)C1 ZINC000052181826 523249919 /nfs/dbraw/zinc/24/99/19/523249919.db2.gz QLYSNSQSGWNQRG-MRXNPFEDSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@@H]1CCC[N@@H+](CC2(CNC(C)C)CCOCC2)C1 ZINC000052181826 523249928 /nfs/dbraw/zinc/24/99/28/523249928.db2.gz QLYSNSQSGWNQRG-MRXNPFEDSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[C@@H]1CCC[N@H+](Cc2cc(CNC)c(C)o2)C1 ZINC000052479689 523253591 /nfs/dbraw/zinc/25/35/91/523253591.db2.gz QXSQNWZMASPSCL-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@@H]1CCC[N@@H+](Cc2cc(CNC)c(C)o2)C1 ZINC000052479689 523253597 /nfs/dbraw/zinc/25/35/97/523253597.db2.gz QXSQNWZMASPSCL-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000361886467 523781089 /nfs/dbraw/zinc/78/10/89/523781089.db2.gz LCJGPBNSOUBXAL-GJZGRUSLSA-N 1 3 282.472 2.638 10 0 CFAEHO C[C@H](CCC[NH2+]C(C)(C)C)OC1CCN(C)CC1 ZINC000052596811 524142458 /nfs/dbraw/zinc/14/24/58/524142458.db2.gz IZKPYDXHQHKJQB-CYBMUJFWSA-N 1 3 256.434 2.654 10 0 CFAEHO C[C@@H]1CCC[N@H+](CC2(CNC3CC3)CCOCC2)[C@@H]1C ZINC000052182074 524221418 /nfs/dbraw/zinc/22/14/18/524221418.db2.gz KJBAZBKRDQYRJA-HUUCEWRRSA-N 1 3 280.456 2.656 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CC2(CNC3CC3)CCOCC2)[C@@H]1C ZINC000052182074 524221424 /nfs/dbraw/zinc/22/14/24/524221424.db2.gz KJBAZBKRDQYRJA-HUUCEWRRSA-N 1 3 280.456 2.656 10 0 CFAEHO Cc1ccc(C[N@@H+](C)[C@]2(CN)CCCSC2)cc1 ZINC000061589969 524402008 /nfs/dbraw/zinc/40/20/08/524402008.db2.gz CDDPKJJEMYRWFQ-HNNXBMFYSA-N 1 3 264.438 2.651 10 0 CFAEHO Cc1ccc(C[N@H+](C)[C@]2(CN)CCCSC2)cc1 ZINC000061589969 524402015 /nfs/dbraw/zinc/40/20/15/524402015.db2.gz CDDPKJJEMYRWFQ-HNNXBMFYSA-N 1 3 264.438 2.651 10 0 CFAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000061815911 524589129 /nfs/dbraw/zinc/58/91/29/524589129.db2.gz VLGAAEKUGDKYML-CABCVRRESA-N 1 3 262.397 2.515 10 0 CFAEHO C[C@@H]1C[C@H](C)C[N@@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180560 525380589 /nfs/dbraw/zinc/38/05/89/525380589.db2.gz QKRFYLZIPWMPMY-GASCZTMLSA-N 1 3 280.456 2.513 10 0 CFAEHO C[C@@H]1C[C@H](C)C[N@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180560 525380595 /nfs/dbraw/zinc/38/05/95/525380595.db2.gz QKRFYLZIPWMPMY-GASCZTMLSA-N 1 3 280.456 2.513 10 0 CFAEHO Cc1oc(CN2CC[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484389 526771234 /nfs/dbraw/zinc/77/12/34/526771234.db2.gz AGVCZHJYEPREMV-GFCCVEGCSA-N 1 3 250.386 2.928 10 0 CFAEHO [NH3+]Cc1sc2ccccc2c1CN1CCSCC1 ZINC000052425630 527268189 /nfs/dbraw/zinc/26/81/89/527268189.db2.gz NZCBHTYNWSZCTG-UHFFFAOYSA-N 1 3 278.446 2.909 10 0 CFAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CSC4)[C@H]3C2)cc1 ZINC000396468771 574355507 /nfs/dbraw/zinc/35/55/07/574355507.db2.gz VTFNHYIZJQWSKT-BHYGNILZSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CSC4)[C@H]3C2)cc1 ZINC000396468771 574355508 /nfs/dbraw/zinc/35/55/08/574355508.db2.gz VTFNHYIZJQWSKT-BHYGNILZSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000396468771 574355509 /nfs/dbraw/zinc/35/55/09/574355509.db2.gz VTFNHYIZJQWSKT-BHYGNILZSA-N 1 3 288.460 2.602 10 0 CFAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1C(C)C ZINC000082434483 178011536 /nfs/dbraw/zinc/01/15/36/178011536.db2.gz YSCQPOPAFXOPCD-UHFFFAOYSA-N 1 3 269.458 2.870 10 0 CFAEHO Cc1nc(C)c([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000250961306 293244998 /nfs/dbraw/zinc/24/49/98/293244998.db2.gz QEJIMBITDKNPGT-DLOVCJGASA-N 1 3 253.415 2.538 10 0 CFAEHO [NH3+]Cc1csc2c1CCN(Cc1ccccc1)C2 ZINC000157141436 347998922 /nfs/dbraw/zinc/99/89/22/347998922.db2.gz MFYCFQAUARWEQV-UHFFFAOYSA-N 1 3 258.390 2.765 10 0 CFAEHO CN(C)CCOc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818677 179347446 /nfs/dbraw/zinc/34/74/46/179347446.db2.gz CMSLEMFGTPXODN-HNNXBMFYSA-N 1 3 291.439 2.523 10 0 CFAEHO CN(C)CCOc1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818677 179347448 /nfs/dbraw/zinc/34/74/48/179347448.db2.gz CMSLEMFGTPXODN-HNNXBMFYSA-N 1 3 291.439 2.523 10 0 CFAEHO CCC(CC)C[N@H+](CC)[C@]1(CN)CCCN(CC)CC1 ZINC000086847809 179357190 /nfs/dbraw/zinc/35/71/90/179357190.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 1 3 283.504 2.948 10 0 CFAEHO CCC(CC)C[N@@H+](CC)[C@]1(CN)CCCN(CC)CC1 ZINC000086847809 179357192 /nfs/dbraw/zinc/35/71/92/179357192.db2.gz MROGXOFPGKABQO-QGZVFWFLSA-N 1 3 283.504 2.948 10 0 CFAEHO CC(C)CCOCCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086843650 179353515 /nfs/dbraw/zinc/35/35/15/179353515.db2.gz VCAIRQXIQJQOPY-INIZCTEOSA-N 1 3 270.461 2.902 10 0 CFAEHO CC(C)CCOCCN[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086843650 179353516 /nfs/dbraw/zinc/35/35/16/179353516.db2.gz VCAIRQXIQJQOPY-INIZCTEOSA-N 1 3 270.461 2.902 10 0 CFAEHO CC(C)CCOCC[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086843650 179353518 /nfs/dbraw/zinc/35/35/18/179353518.db2.gz VCAIRQXIQJQOPY-INIZCTEOSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C ZINC000104201950 185929399 /nfs/dbraw/zinc/92/93/99/185929399.db2.gz OTWUSNMHQUNPOX-HUUCEWRRSA-N 1 3 283.847 2.612 10 0 CFAEHO NC1(Cc2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000090587463 180009266 /nfs/dbraw/zinc/00/92/66/180009266.db2.gz XXVZBTFYWMJJCH-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO [NH3+]C1(Cc2cc(Cl)ccc2Cl)CCNCC1 ZINC000090587463 180009269 /nfs/dbraw/zinc/00/92/69/180009269.db2.gz XXVZBTFYWMJJCH-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO C[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841350 355604052 /nfs/dbraw/zinc/60/40/52/355604052.db2.gz JOGNZWSXWXNJOI-PWSUYJOCSA-N 1 3 288.313 2.612 10 0 CFAEHO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCCC1 ZINC000085636260 295974708 /nfs/dbraw/zinc/97/47/08/295974708.db2.gz XKKFLGRQKSGXDM-VGWMRTNUSA-N 1 3 280.456 2.512 10 0 CFAEHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390914345 540985800 /nfs/dbraw/zinc/98/58/00/540985800.db2.gz SDOBNXXDEYJYOG-NEPJUHHUSA-N 1 3 260.372 2.790 10 0 CFAEHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCCCC1(F)F ZINC000390914345 540985805 /nfs/dbraw/zinc/98/58/05/540985805.db2.gz SDOBNXXDEYJYOG-NEPJUHHUSA-N 1 3 260.372 2.790 10 0 CFAEHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1OC ZINC000180892152 189282242 /nfs/dbraw/zinc/28/22/42/189282242.db2.gz PJRAOTUMQZWAHZ-ZFWWWQNUSA-N 1 3 292.423 2.839 10 0 CFAEHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C12CC3CC(CC(C3)C1)C2 ZINC000422981132 296145191 /nfs/dbraw/zinc/14/51/91/296145191.db2.gz NIQYCANPEGDONU-JCWGXCKPSA-N 1 3 262.441 2.789 10 0 CFAEHO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000120410608 376610009 /nfs/dbraw/zinc/61/00/09/376610009.db2.gz STRCWBIWRQMABT-WWGRRREGSA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400326256 380854637 /nfs/dbraw/zinc/85/46/37/380854637.db2.gz CKFWNQSTCZYAAY-VHSXEESVSA-N 1 3 258.818 2.532 10 0 CFAEHO CC[C@H](C[NH2+][C@H]1CCCNCC1)CC(F)(F)F ZINC000402633029 380888577 /nfs/dbraw/zinc/88/85/77/380888577.db2.gz YTBMPCMCVMBUCX-QWRGUYRKSA-N 1 3 252.324 2.697 10 0 CFAEHO CC[C@H](C[NH2+][C@@H]1CCCNCC1)CC(F)(F)F ZINC000402633031 380889744 /nfs/dbraw/zinc/88/97/44/380889744.db2.gz YTBMPCMCVMBUCX-WDEREUQCSA-N 1 3 252.324 2.697 10 0 CFAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CO)C1CCCCC1 ZINC000386079406 382582259 /nfs/dbraw/zinc/58/22/59/382582259.db2.gz BOCUVUBUSYYCFE-OIISXLGYSA-N 1 3 282.472 2.828 10 0 CFAEHO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4ccccc43)C[C@@H]21 ZINC000230134421 382855882 /nfs/dbraw/zinc/85/58/82/382855882.db2.gz RTVNQMDDFIHPIN-AEGPPILISA-N 1 3 267.376 2.798 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235457964 382882604 /nfs/dbraw/zinc/88/26/04/382882604.db2.gz KBKTVBFHYCIDNB-UKRRQHHQSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000235457964 382882609 /nfs/dbraw/zinc/88/26/09/382882609.db2.gz KBKTVBFHYCIDNB-UKRRQHHQSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000235457964 382882611 /nfs/dbraw/zinc/88/26/11/382882611.db2.gz KBKTVBFHYCIDNB-UKRRQHHQSA-N 1 3 264.388 2.688 10 0 CFAEHO Cc1ccncc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261940714 383583012 /nfs/dbraw/zinc/58/30/12/383583012.db2.gz MQPMWVYRNQXWNT-AEFFLSMTSA-N 1 3 281.403 2.564 10 0 CFAEHO CN(CCSCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262014831 383594671 /nfs/dbraw/zinc/59/46/71/383594671.db2.gz VMPLVQQNFBNADS-INIZCTEOSA-N 1 3 278.465 2.994 10 0 CFAEHO CCO[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034512 383597588 /nfs/dbraw/zinc/59/75/88/383597588.db2.gz OKNWPXKSTDQONM-OAGGEKHMSA-N 1 3 280.456 2.656 10 0 CFAEHO CCN(Cc1ccc(C)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000261762756 383555332 /nfs/dbraw/zinc/55/53/32/383555332.db2.gz DDZQWQSCJLQGAT-INIZCTEOSA-N 1 3 276.424 2.968 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776377 383558705 /nfs/dbraw/zinc/55/87/05/383558705.db2.gz PEZIXARNVRFDPK-USXIJHARSA-N 1 3 274.408 2.643 10 0 CFAEHO CCC[C@](C)(N)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668163 383633843 /nfs/dbraw/zinc/63/38/43/383633843.db2.gz LQOJZJRERYHFAX-RDJZCZTQSA-N 1 3 297.487 2.521 10 0 CFAEHO COc1ccc(C)cc1[C@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312435226 393522349 /nfs/dbraw/zinc/52/23/49/393522349.db2.gz ILQLYJNEXPBNQM-JKIFEVAISA-N 1 3 276.424 2.981 10 0 CFAEHO COc1ccc(C)cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312435226 393522356 /nfs/dbraw/zinc/52/23/56/393522356.db2.gz ILQLYJNEXPBNQM-JKIFEVAISA-N 1 3 276.424 2.981 10 0 CFAEHO COc1ccc(C)cc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312435226 393522361 /nfs/dbraw/zinc/52/23/61/393522361.db2.gz ILQLYJNEXPBNQM-JKIFEVAISA-N 1 3 276.424 2.981 10 0 CFAEHO C[NH2+]C[C@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381668272 393565864 /nfs/dbraw/zinc/56/58/64/393565864.db2.gz KSQHKVXLXOIRKJ-CHWSQXEVSA-N 1 3 260.372 2.743 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400326255 393600905 /nfs/dbraw/zinc/60/09/05/393600905.db2.gz CKFWNQSTCZYAAY-UWVGGRQHSA-N 1 3 258.818 2.532 10 0 CFAEHO CCCN(CCC)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022153885 171360871 /nfs/dbraw/zinc/36/08/71/171360871.db2.gz VGOOTXNWYAPONH-ZDUSSCGKSA-N 1 3 277.412 2.594 10 0 CFAEHO C[C@@H]1CCC[N@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000022156191 171362571 /nfs/dbraw/zinc/36/25/71/171362571.db2.gz GGONSDHSHMDWNR-CQSZACIVSA-N 1 3 289.423 2.596 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000022156191 171362572 /nfs/dbraw/zinc/36/25/72/171362572.db2.gz GGONSDHSHMDWNR-CQSZACIVSA-N 1 3 289.423 2.596 10 0 CFAEHO C[C@H]([NH3+])c1ccc2ccccc2c1OCCN(C)C ZINC000035427347 172194709 /nfs/dbraw/zinc/19/47/09/172194709.db2.gz SRVOIHHCXVTBSC-LBPRGKRZSA-N 1 3 258.365 2.800 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221784 173042100 /nfs/dbraw/zinc/04/21/00/173042100.db2.gz CMEMMUUDRMHXAN-QXSJWSMHSA-N 1 3 268.445 2.654 10 0 CFAEHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221784 173042102 /nfs/dbraw/zinc/04/21/02/173042102.db2.gz CMEMMUUDRMHXAN-QXSJWSMHSA-N 1 3 268.445 2.654 10 0 CFAEHO CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221784 173042104 /nfs/dbraw/zinc/04/21/04/173042104.db2.gz CMEMMUUDRMHXAN-QXSJWSMHSA-N 1 3 268.445 2.654 10 0 CFAEHO [NH3+]CCCN(Cc1cccc2cccnc21)C1CC1 ZINC000037299628 173103758 /nfs/dbraw/zinc/10/37/58/173103758.db2.gz KDLDDNWPZAGKIV-UHFFFAOYSA-N 1 3 255.365 2.548 10 0 CFAEHO C[C@H](Cc1ccccc1Cl)[NH2+]C1CCNCC1 ZINC000038040935 174041429 /nfs/dbraw/zinc/04/14/29/174041429.db2.gz QFUGRCDZDRLSNK-LLVKDONJSA-N 1 3 252.789 2.613 10 0 CFAEHO C[C@H](Cc1ccccc1Cl)NC1CC[NH2+]CC1 ZINC000038040935 174041432 /nfs/dbraw/zinc/04/14/32/174041432.db2.gz QFUGRCDZDRLSNK-LLVKDONJSA-N 1 3 252.789 2.613 10 0 CFAEHO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622477 174355069 /nfs/dbraw/zinc/35/50/69/174355069.db2.gz BWUHNPYTBQLFAP-KBPBESRZSA-N 1 3 256.434 2.510 10 0 CFAEHO CCCN(CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748699 174394078 /nfs/dbraw/zinc/39/40/78/174394078.db2.gz IILUJTDIRHOPRI-SJPCQFCGSA-N 1 3 273.424 2.619 10 0 CFAEHO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(C(C)(C)C)CC1 ZINC000043123325 174976156 /nfs/dbraw/zinc/97/61/56/174976156.db2.gz LOOQFYQCPSVFPO-GXTWGEPZSA-N 1 3 281.469 2.553 10 0 CFAEHO CN([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCN(C)CC1 ZINC000043390142 175033506 /nfs/dbraw/zinc/03/35/06/175033506.db2.gz AIVDGXDFCXFFSZ-HNNXBMFYSA-N 1 3 299.821 2.505 10 0 CFAEHO CC(C)N1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390351 175033887 /nfs/dbraw/zinc/03/38/87/175033887.db2.gz ZPHCUOUCMACACS-OAHLLOKOSA-N 1 3 299.821 2.505 10 0 CFAEHO CCCC[C@@H](CC)CN1CCN(CCCCC[NH3+])CC1 ZINC000043454541 175050203 /nfs/dbraw/zinc/05/02/03/175050203.db2.gz ZXVJOMTZGBFUHP-QGZVFWFLSA-N 1 3 283.504 2.949 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805641 175107879 /nfs/dbraw/zinc/10/78/79/175107879.db2.gz GCOOCAHZPYUIFW-SQNIBIBYSA-N 1 3 295.515 2.961 10 0 CFAEHO CCCN1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805306 175107912 /nfs/dbraw/zinc/10/79/12/175107912.db2.gz RVKSIFYZYIZAQD-YESZJQIVSA-N 1 3 295.515 2.817 10 0 CFAEHO CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000043807530 175108685 /nfs/dbraw/zinc/10/86/85/175108685.db2.gz MYTMNSPZPQFXPA-CYBMUJFWSA-N 1 3 262.397 2.962 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CCCN(C)CC1 ZINC000043818453 175112780 /nfs/dbraw/zinc/11/27/80/175112780.db2.gz UHRXGCZORFLPFL-ZWKOTPCHSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897151 175120202 /nfs/dbraw/zinc/12/02/02/175120202.db2.gz RMGRGMVKVUJHJF-BBWFWOEESA-N 1 3 281.488 2.569 10 0 CFAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965565 175126975 /nfs/dbraw/zinc/12/69/75/175126975.db2.gz OQNUOIBDTQHFFQ-JYJNAYRXSA-N 1 3 281.488 2.569 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967998 175128954 /nfs/dbraw/zinc/12/89/54/175128954.db2.gz YLIPMSVPPWMKJB-ZWKOTPCHSA-N 1 3 293.499 2.715 10 0 CFAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982385 175134226 /nfs/dbraw/zinc/13/42/26/175134226.db2.gz BTFSFFSRDPSLTC-IRXDYDNUSA-N 1 3 283.504 2.817 10 0 CFAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N(CCN(C)C)CC(C)C ZINC000043982082 175134290 /nfs/dbraw/zinc/13/42/90/175134290.db2.gz RIKQQQGEPPUMAK-HZPDHXFCSA-N 1 3 271.493 2.673 10 0 CFAEHO CCC[C@H](O)[C@H](CC)[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162331 175147346 /nfs/dbraw/zinc/14/73/46/175147346.db2.gz CSSGIBPDVUSMMW-IRXDYDNUSA-N 1 3 282.472 2.876 10 0 CFAEHO C[NH+]1CCC(CNC2=NC[C@H](c3ccccc3)S2)CC1 ZINC000044526495 175191566 /nfs/dbraw/zinc/19/15/66/175191566.db2.gz SIPOIJAMRBMNLB-OAHLLOKOSA-N 1 3 289.448 2.762 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656967 175225638 /nfs/dbraw/zinc/22/56/38/175225638.db2.gz QDTCCZDEAGVAAE-CABCVRRESA-N 1 3 256.434 2.513 10 0 CFAEHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747607 175243027 /nfs/dbraw/zinc/24/30/27/175243027.db2.gz SNIRXOMNRPHZLK-SUMWQHHRSA-N 1 3 274.408 2.701 10 0 CFAEHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747607 175243028 /nfs/dbraw/zinc/24/30/28/175243028.db2.gz SNIRXOMNRPHZLK-SUMWQHHRSA-N 1 3 274.408 2.701 10 0 CFAEHO C[NH2+]C[C@H]1CCN(Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142458 176040230 /nfs/dbraw/zinc/04/02/30/176040230.db2.gz VOBLQGVWORZWRK-CYBMUJFWSA-N 1 3 257.381 2.518 10 0 CFAEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(Br)cc2)C1 ZINC000071190403 176067247 /nfs/dbraw/zinc/06/72/47/176067247.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 1 3 297.240 2.833 10 0 CFAEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(Br)cc2)C1 ZINC000071190403 176067248 /nfs/dbraw/zinc/06/72/48/176067248.db2.gz HBOAKXYBWPAQLU-ZDUSSCGKSA-N 1 3 297.240 2.833 10 0 CFAEHO N[C@@H](c1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000071616041 176235009 /nfs/dbraw/zinc/23/50/09/176235009.db2.gz DMNQOFWYONZGDP-SNVBAGLBSA-N 1 3 275.215 2.510 10 0 CFAEHO C[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013111 274359814 /nfs/dbraw/zinc/35/98/14/274359814.db2.gz SJLOAQXVUMPXBH-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@@]1(C)CN ZINC000312013111 274359816 /nfs/dbraw/zinc/35/98/16/274359816.db2.gz SJLOAQXVUMPXBH-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@@]1(C)CN ZINC000312013111 274359817 /nfs/dbraw/zinc/35/98/17/274359817.db2.gz SJLOAQXVUMPXBH-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000174684793 274718843 /nfs/dbraw/zinc/71/88/43/274718843.db2.gz WCOGYUQZUSEIIV-OAHLLOKOSA-N 1 3 299.418 2.802 10 0 CFAEHO Cc1ccc2nccc(N3CCC(C[NH3+])CC3)c2c1 ZINC000073738638 281169124 /nfs/dbraw/zinc/16/91/24/281169124.db2.gz LYSPBEWLTNVBRA-UHFFFAOYSA-N 1 3 255.365 2.718 10 0 CFAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@@H]1CCCCO1 ZINC000262003833 298877606 /nfs/dbraw/zinc/87/76/06/298877606.db2.gz QRPLXKAECWTDDN-WCVJEAGWSA-N 1 3 268.445 2.844 10 0 CFAEHO CCCNCC1(C[N@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181382 519910276 /nfs/dbraw/zinc/91/02/76/519910276.db2.gz YDIDBLXKGZIHLY-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](CC)[C@H](C)CC)CCOCC1 ZINC000052181382 519910279 /nfs/dbraw/zinc/91/02/79/519910279.db2.gz YDIDBLXKGZIHLY-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)[C@H](C)CC)CCOCC1 ZINC000052181382 519910280 /nfs/dbraw/zinc/91/02/80/519910280.db2.gz YDIDBLXKGZIHLY-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCNCC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182769 519912664 /nfs/dbraw/zinc/91/26/64/519912664.db2.gz OGEZMBMAPXBTMC-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182769 519912666 /nfs/dbraw/zinc/91/26/66/519912666.db2.gz OGEZMBMAPXBTMC-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[NH2+]CC1(CN(CC(C)C)C2CC2)CCOCC1 ZINC000052182769 519912667 /nfs/dbraw/zinc/91/26/67/519912667.db2.gz OGEZMBMAPXBTMC-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[NH2+]CC1(CN(CC)[C@H](C)COC)CCCCC1 ZINC000051250803 519913080 /nfs/dbraw/zinc/91/30/80/519913080.db2.gz FTNUDPMYYMFLDV-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC(CC)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181724 521542295 /nfs/dbraw/zinc/54/22/95/521542295.db2.gz LROPEMWYYMYBDG-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC(CC)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181724 521542302 /nfs/dbraw/zinc/54/23/02/521542302.db2.gz LROPEMWYYMYBDG-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@H](N)[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513963 522341086 /nfs/dbraw/zinc/34/10/86/522341086.db2.gz PZARZGKRFSBPRR-HOTGVXAUSA-N 1 3 278.440 2.633 10 0 CFAEHO CC[C@H](N)[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513963 522341094 /nfs/dbraw/zinc/34/10/94/522341094.db2.gz PZARZGKRFSBPRR-HOTGVXAUSA-N 1 3 278.440 2.633 10 0 CFAEHO CC(C)(C)[NH2+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180896 518752341 /nfs/dbraw/zinc/75/23/41/518752341.db2.gz ZDJSNJQPLKZKTF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC(C)[NH2+]C[C@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419949 519724791 /nfs/dbraw/zinc/72/47/91/519724791.db2.gz YNDBIELOLOCLAP-GOSISDBHSA-N 1 3 289.467 2.752 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419173 519725612 /nfs/dbraw/zinc/72/56/12/519725612.db2.gz YXWBVOHVKNDUMR-QZTJIDSGSA-N 1 3 288.435 2.590 10 0 CFAEHO CC(C)CN1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055076810 519728330 /nfs/dbraw/zinc/72/83/30/519728330.db2.gz QCPMFKAZYRFJHX-UHFFFAOYSA-N 1 3 281.831 2.577 10 0 CFAEHO CC[NH2+]CCCCCN1CCN(c2ccccc2)CC1 ZINC000052417339 519918983 /nfs/dbraw/zinc/91/89/83/519918983.db2.gz BQVWCUARAACWTO-UHFFFAOYSA-N 1 3 275.440 2.588 10 0 CFAEHO CCC[NH2+]C[C@@](C)(CC)CN1CCC(OC)CC1 ZINC000051216291 519930411 /nfs/dbraw/zinc/93/04/11/519930411.db2.gz BBNMOMFZXWQDJD-OAHLLOKOSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[NH2+]Cc1cccc(CN2CCN(CCC)CC2)c1 ZINC000052421826 519953757 /nfs/dbraw/zinc/95/37/57/519953757.db2.gz WNBRJDJRQDSARK-UHFFFAOYSA-N 1 3 289.467 2.714 10 0 CFAEHO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCCN(C)C ZINC000062747448 519989043 /nfs/dbraw/zinc/98/90/43/519989043.db2.gz TVOAQCNFUCNMBS-LBPRGKRZSA-N 1 3 268.376 2.827 10 0 CFAEHO CCCCCN(C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181467 520148747 /nfs/dbraw/zinc/14/87/47/520148747.db2.gz KWUSBLNFVXASCT-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CC1(C)CC[NH+](CCOc2ccccc2CN)CC1 ZINC000061818708 520377333 /nfs/dbraw/zinc/37/73/33/520377333.db2.gz LJLOJFMTOHCDGF-UHFFFAOYSA-N 1 3 262.397 2.646 10 0 CFAEHO CC[N@H+](CC(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052181226 520412886 /nfs/dbraw/zinc/41/28/86/520412886.db2.gz RDBUEWDDMSGHTI-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@@H+](CC(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052181226 520412892 /nfs/dbraw/zinc/41/28/92/520412892.db2.gz RDBUEWDDMSGHTI-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCN(CC)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085364159 520757754 /nfs/dbraw/zinc/75/77/54/520757754.db2.gz MSOVLUMHLJNJEN-HOTGVXAUSA-N 1 3 289.423 2.594 10 0 CFAEHO CCN(CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000069262862 520958593 /nfs/dbraw/zinc/95/85/93/520958593.db2.gz BXXBPYQUKZJIOG-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@H+](CC1CC1)CC1(CNC(C)(C)C)CCOCC1 ZINC000069262862 520958600 /nfs/dbraw/zinc/95/86/00/520958600.db2.gz BXXBPYQUKZJIOG-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@@H+](CC1CC1)CC1(CNC(C)(C)C)CCOCC1 ZINC000069262862 520958604 /nfs/dbraw/zinc/95/86/04/520958604.db2.gz BXXBPYQUKZJIOG-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[N@H+](C)CCOc1ccccc1CNCC ZINC000052444494 521484123 /nfs/dbraw/zinc/48/41/23/521484123.db2.gz PERICJSDCPAVMH-UHFFFAOYSA-N 1 3 250.386 2.517 10 0 CFAEHO CCC[N@@H+](C)CCOc1ccccc1CNCC ZINC000052444494 521484135 /nfs/dbraw/zinc/48/41/35/521484135.db2.gz PERICJSDCPAVMH-UHFFFAOYSA-N 1 3 250.386 2.517 10 0 CFAEHO CC[C@@H](C)C[N@H+](C)CCOc1ccccc1CNC ZINC000052454107 521970978 /nfs/dbraw/zinc/97/09/78/521970978.db2.gz WDIIPOGDVWDPQN-CQSZACIVSA-N 1 3 264.413 2.763 10 0 CFAEHO CC[C@@H](C)C[N@@H+](C)CCOc1ccccc1CNC ZINC000052454107 521970983 /nfs/dbraw/zinc/97/09/83/521970983.db2.gz WDIIPOGDVWDPQN-CQSZACIVSA-N 1 3 264.413 2.763 10 0 CFAEHO C[NH2+]CCC[C@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443476 522000401 /nfs/dbraw/zinc/00/04/01/522000401.db2.gz DHIALLYVQZEVMV-AWEZNQCLSA-N 1 3 295.858 2.850 10 0 CFAEHO CNCc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420869 522107880 /nfs/dbraw/zinc/10/78/80/522107880.db2.gz XDCKUFAJXSTZOJ-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CNCc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420869 522107891 /nfs/dbraw/zinc/10/78/91/522107891.db2.gz XDCKUFAJXSTZOJ-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CC[C@@H](N)[C@H]([N@@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513965 522651359 /nfs/dbraw/zinc/65/13/59/522651359.db2.gz PZARZGKRFSBPRR-CVEARBPZSA-N 1 3 278.440 2.633 10 0 CFAEHO CC[C@@H](N)[C@H]([N@H+](CCO)Cc1ccccc1)C(C)(C)C ZINC000050513965 522651354 /nfs/dbraw/zinc/65/13/54/522651354.db2.gz PZARZGKRFSBPRR-CVEARBPZSA-N 1 3 278.440 2.633 10 0 CFAEHO COCc1cccc(C[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000052205684 523053199 /nfs/dbraw/zinc/05/31/99/523053199.db2.gz QIDGEOMOOZKDQR-QGZVFWFLSA-N 1 3 276.424 2.797 10 0 CFAEHO CCn1cc(CN(CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539177 523365418 /nfs/dbraw/zinc/36/54/18/523365418.db2.gz GMRGFTXLWVLITR-UHFFFAOYSA-N 1 3 278.444 2.777 10 0 CFAEHO CN([C@H](C[NH2+]C1CC1)c1ccccc1)C1CCN(C)CC1 ZINC000052419951 523626531 /nfs/dbraw/zinc/62/65/31/523626531.db2.gz WZMAIRNUMBQJHD-GOSISDBHSA-N 1 3 287.451 2.506 10 0 CFAEHO C[N@@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1CN ZINC000052858526 523824625 /nfs/dbraw/zinc/82/46/25/523824625.db2.gz NPSIVPUSNQSQLI-CYBMUJFWSA-N 1 3 268.788 2.662 10 0 CFAEHO C[N@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1CN ZINC000052858526 523824632 /nfs/dbraw/zinc/82/46/32/523824632.db2.gz NPSIVPUSNQSQLI-CYBMUJFWSA-N 1 3 268.788 2.662 10 0 CFAEHO CC[C@H](C)[N@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052444125 523922187 /nfs/dbraw/zinc/92/21/87/523922187.db2.gz SHLPYDULHYFBGR-LBPRGKRZSA-N 1 3 253.390 2.651 10 0 CFAEHO CC[C@H](C)[N@@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052444125 523922192 /nfs/dbraw/zinc/92/21/92/523922192.db2.gz SHLPYDULHYFBGR-LBPRGKRZSA-N 1 3 253.390 2.651 10 0 CFAEHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2CN)[C@@H]1C ZINC000050563666 524220441 /nfs/dbraw/zinc/22/04/41/524220441.db2.gz COPDTEAFGUSDSU-ZIAGYGMSSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2CN)[C@@H]1C ZINC000050563666 524220444 /nfs/dbraw/zinc/22/04/44/524220444.db2.gz COPDTEAFGUSDSU-ZIAGYGMSSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@H](CN1CCCCC1)N1Cc2ccccc2C1=[NH2+] ZINC000049501998 524328814 /nfs/dbraw/zinc/32/88/14/524328814.db2.gz QVKNGNOXMWBHOL-CYBMUJFWSA-N 1 3 257.381 2.702 10 0 CFAEHO Cc1cc(F)ccc1[C@@H](C[NH3+])N(CCN(C)C)CC(C)C ZINC000050579166 525003684 /nfs/dbraw/zinc/00/36/84/525003684.db2.gz LYQQEJZOOHYKKU-QGZVFWFLSA-N 1 3 295.446 2.654 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593668 545500356 /nfs/dbraw/zinc/50/03/56/545500356.db2.gz NAQQZLDJXYDLHP-MELADBBJSA-N 1 3 266.335 2.793 10 0 CFAEHO C[C@H]1CCN(c2ccnc3ccccc32)C[C@H]1C[NH3+] ZINC000253194435 619018253 /nfs/dbraw/zinc/01/82/53/619018253.db2.gz PZATYLQAHPERHS-QWHCGFSZSA-N 1 3 255.365 2.656 10 0 CFAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1C1CC1 ZINC000082437260 178015156 /nfs/dbraw/zinc/01/51/56/178015156.db2.gz XUDHCPRADXWUPG-UHFFFAOYSA-N 1 3 267.442 2.624 10 0 CFAEHO CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(OC)cc21 ZINC000082509421 178076235 /nfs/dbraw/zinc/07/62/35/178076235.db2.gz QKJSCSWWEJPLLU-HNNXBMFYSA-N 1 3 290.407 2.593 10 0 CFAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017276 346326055 /nfs/dbraw/zinc/32/60/55/346326055.db2.gz YKSNSQNHZKYWKV-CZUORRHYSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@H](CC[NH+](C)C)NCc1ccnc2ccccc12 ZINC000111728677 347756209 /nfs/dbraw/zinc/75/62/09/347756209.db2.gz WAIMKGMIFPFIMJ-CYBMUJFWSA-N 1 3 257.381 2.665 10 0 CFAEHO Cc1ccc(OC[C@@H](C)N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818853 179348392 /nfs/dbraw/zinc/34/83/92/179348392.db2.gz PVHSENGPMZWTFL-HZPDHXFCSA-N 1 3 276.424 2.836 10 0 CFAEHO Cc1ccc(OC[C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818853 179348393 /nfs/dbraw/zinc/34/83/93/179348393.db2.gz PVHSENGPMZWTFL-HZPDHXFCSA-N 1 3 276.424 2.836 10 0 CFAEHO [NH3+][C@@H](CCN1CCCCC1)Cc1cc(F)c(F)cc1F ZINC000167886189 348047011 /nfs/dbraw/zinc/04/70/11/348047011.db2.gz SNKUZAJUJYNYOT-LBPRGKRZSA-N 1 3 286.341 2.850 10 0 CFAEHO N[C@@H](CC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1F ZINC000167886189 348047013 /nfs/dbraw/zinc/04/70/13/348047013.db2.gz SNKUZAJUJYNYOT-LBPRGKRZSA-N 1 3 286.341 2.850 10 0 CFAEHO C[N@@H+]1CCC[C@@H](NCCSc2ccccc2)CC1 ZINC000086818808 179346424 /nfs/dbraw/zinc/34/64/24/179346424.db2.gz APAXSGWDALWIOL-CQSZACIVSA-N 1 3 264.438 2.853 10 0 CFAEHO C[N@H+]1CCC[C@@H](NCCSc2ccccc2)CC1 ZINC000086818808 179346427 /nfs/dbraw/zinc/34/64/27/179346427.db2.gz APAXSGWDALWIOL-CQSZACIVSA-N 1 3 264.438 2.853 10 0 CFAEHO N[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303773 180130649 /nfs/dbraw/zinc/13/06/49/180130649.db2.gz QFCLGAXSDGIWMG-KZNAEPCWSA-N 1 3 264.372 2.916 10 0 CFAEHO N[C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303773 180130650 /nfs/dbraw/zinc/13/06/50/180130650.db2.gz QFCLGAXSDGIWMG-KZNAEPCWSA-N 1 3 264.372 2.916 10 0 CFAEHO CC[C@@H]1CN(c2ccnc3ccccc32)CC[C@H]1[NH3+] ZINC000251899218 540554195 /nfs/dbraw/zinc/55/41/95/540554195.db2.gz WQLZUOZHIARYMF-TZMCWYRMSA-N 1 3 255.365 2.798 10 0 CFAEHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1OC ZINC000180892167 189282405 /nfs/dbraw/zinc/28/24/05/189282405.db2.gz PJRAOTUMQZWAHZ-HIFRSBDPSA-N 1 3 292.423 2.839 10 0 CFAEHO Oc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000036852357 372602229 /nfs/dbraw/zinc/60/22/29/372602229.db2.gz DLIACFHXZUOYSG-INIZCTEOSA-N 1 3 274.408 2.845 10 0 CFAEHO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCCNCC2)s1 ZINC000129273901 377407505 /nfs/dbraw/zinc/40/75/05/377407505.db2.gz NARAXWQQVZXVLY-YPMHNXCESA-N 1 3 252.427 2.719 10 0 CFAEHO Cc1ccc(C[C@@H](C)N[C@H]2CCC[NH2+]CC2)s1 ZINC000129273901 377407518 /nfs/dbraw/zinc/40/75/18/377407518.db2.gz NARAXWQQVZXVLY-YPMHNXCESA-N 1 3 252.427 2.719 10 0 CFAEHO c1cn(CCC[NH2+][C@H]2CCCNCC2)c2ccccc12 ZINC000133594231 377941976 /nfs/dbraw/zinc/94/19/76/377941976.db2.gz UKWWMSJZHOTYDI-INIZCTEOSA-N 1 3 271.408 2.763 10 0 CFAEHO CC1(C)CO[C@H](c2ccccc2)CN1CC1CC[NH2+]CC1 ZINC000178971711 380496397 /nfs/dbraw/zinc/49/63/97/380496397.db2.gz TXQWTOICSJMXOY-KRWDZBQOSA-N 1 3 288.435 2.838 10 0 CFAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CO)C1CCCCC1 ZINC000386079407 382582254 /nfs/dbraw/zinc/58/22/54/382582254.db2.gz BOCUVUBUSYYCFE-PVAVHDDUSA-N 1 3 282.472 2.828 10 0 CFAEHO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4ccccc43)C[C@@H]21 ZINC000230134413 382856021 /nfs/dbraw/zinc/85/60/21/382856021.db2.gz RTVNQMDDFIHPIN-VHDGCEQUSA-N 1 3 267.376 2.798 10 0 CFAEHO C[C@@H]1CCCN(c2ccnc3ccccc32)[C@@H]1C[NH3+] ZINC000070178435 412969120 /nfs/dbraw/zinc/96/91/20/412969120.db2.gz JOOFFJOPLVZLIW-MLGOLLRUSA-N 1 3 255.365 2.798 10 0 CFAEHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558885 383511032 /nfs/dbraw/zinc/51/10/32/383511032.db2.gz SVUXSUCBVSGIQW-YUTCNCBUSA-N 1 3 250.411 2.534 10 0 CFAEHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558882 383511089 /nfs/dbraw/zinc/51/10/89/383511089.db2.gz SVUXSUCBVSGIQW-FPMFFAJLSA-N 1 3 250.411 2.534 10 0 CFAEHO Cc1ccc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596575 383525124 /nfs/dbraw/zinc/52/51/24/383525124.db2.gz AHXZXNSLRMDYCD-YESZJQIVSA-N 1 3 281.403 2.712 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261780851 383560322 /nfs/dbraw/zinc/56/03/22/383560322.db2.gz PLGKNVGOAVMOOB-XIRDDKMYSA-N 1 3 274.408 2.643 10 0 CFAEHO COc1ccc([C@H](C)CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638502 393819955 /nfs/dbraw/zinc/81/99/55/393819955.db2.gz CTANBIMKIQBPBV-CABCVRRESA-N 1 3 276.424 2.682 10 0 CFAEHO CCO[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034515 286333201 /nfs/dbraw/zinc/33/32/01/286333201.db2.gz OKNWPXKSTDQONM-XHSDSOJGSA-N 1 3 280.456 2.656 10 0 CFAEHO [NH3+]CC[C@H](COc1ccc(Cl)cc1)N1CCCC1 ZINC000020401993 171182605 /nfs/dbraw/zinc/18/26/05/171182605.db2.gz WPLDAAZZGJLHKG-CYBMUJFWSA-N 1 3 268.788 2.532 10 0 CFAEHO NCc1ccccc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022154663 171361628 /nfs/dbraw/zinc/36/16/28/171361628.db2.gz UHECJLNBHBWJSH-UHFFFAOYSA-N 1 3 289.423 2.740 10 0 CFAEHO CCN(CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022221380 171378291 /nfs/dbraw/zinc/37/82/91/171378291.db2.gz YXJVWBRKQMSWGV-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO CC(C)CC[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000032113729 171707364 /nfs/dbraw/zinc/70/73/64/171707364.db2.gz JQTVCLRKLVINOL-UHFFFAOYSA-N 1 3 264.413 2.763 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210315 173032591 /nfs/dbraw/zinc/03/25/91/173032591.db2.gz UVIYACTZOYWZIG-HUUCEWRRSA-N 1 3 256.434 2.513 10 0 CFAEHO CC[NH+]1CCC([C@H](C)NCc2nc(C)cs2)CC1 ZINC000038090938 174104760 /nfs/dbraw/zinc/10/47/60/174104760.db2.gz VWAJHNCZXDJODD-LBPRGKRZSA-N 1 3 267.442 2.662 10 0 CFAEHO CC[NH+](CC)CCOc1cccc(F)c1[C@H](C)N ZINC000040240018 174212652 /nfs/dbraw/zinc/21/26/52/174212652.db2.gz IRJRDLGBEZZENC-NSHDSACASA-N 1 3 254.349 2.566 10 0 CFAEHO CCCCOCC[NH2+][C@H](C)[C@H]1CCCN(CC)C1 ZINC000040506732 174302346 /nfs/dbraw/zinc/30/23/46/174302346.db2.gz UZJCJUWZDWTZHA-CABCVRRESA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000040506732 174302348 /nfs/dbraw/zinc/30/23/48/174302348.db2.gz UZJCJUWZDWTZHA-CABCVRRESA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000040506732 174302350 /nfs/dbraw/zinc/30/23/50/174302350.db2.gz UZJCJUWZDWTZHA-CABCVRRESA-N 1 3 256.434 2.513 10 0 CFAEHO C[NH2+]C[C@H]1CCCN([C@@H](C)CCc2ccccc2)C1 ZINC000040592575 174347604 /nfs/dbraw/zinc/34/76/04/174347604.db2.gz RVPFSZQUTSDLHN-DOTOQJQBSA-N 1 3 260.425 2.939 10 0 CFAEHO CCN(C1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747416 174392725 /nfs/dbraw/zinc/39/27/25/174392725.db2.gz DIOINHRBUHCEEC-BYICEURKSA-N 1 3 270.420 2.759 10 0 CFAEHO CC[NH2+][C@@H](C)c1ccc(OC2CCN(C)CC2)cc1 ZINC000041019346 174451406 /nfs/dbraw/zinc/45/14/06/174451406.db2.gz CUJZBJJSKITZJA-ZDUSSCGKSA-N 1 3 262.397 2.830 10 0 CFAEHO CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(C(C)(C)C)CC1 ZINC000043123329 174975940 /nfs/dbraw/zinc/97/59/40/174975940.db2.gz LMWMWTNEIJDJCB-LSDHHAIUSA-N 1 3 295.496 2.943 10 0 CFAEHO C[C@@H](N)[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335504 175011256 /nfs/dbraw/zinc/01/12/56/175011256.db2.gz FVBRCOWVKDNKIC-RHSMWYFYSA-N 1 3 291.439 2.618 10 0 CFAEHO CN([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCN(C)CC1 ZINC000043390144 175033562 /nfs/dbraw/zinc/03/35/62/175033562.db2.gz AIVDGXDFCXFFSZ-OAHLLOKOSA-N 1 3 299.821 2.505 10 0 CFAEHO CCCC[C@H](CC)CN1CCN(CCCC[NH3+])CC1 ZINC000043454525 175049914 /nfs/dbraw/zinc/04/99/14/175049914.db2.gz FFEGKQKARHNAHY-INIZCTEOSA-N 1 3 269.477 2.559 10 0 CFAEHO CC[NH2+][C@H]1CC(C)(C)Oc2cc(OCCN(C)C)ccc21 ZINC000043460377 175050834 /nfs/dbraw/zinc/05/08/34/175050834.db2.gz MGLPCHNWTOHPGC-HNNXBMFYSA-N 1 3 292.423 2.839 10 0 CFAEHO CC(C)[NH2+]Cc1ccc(OCCN(C)C)c(Cl)c1 ZINC000043479519 175055410 /nfs/dbraw/zinc/05/54/10/175055410.db2.gz BLXXKWPSDRXQDD-UHFFFAOYSA-N 1 3 270.804 2.778 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]C)c2ccc(CC)cc2)CC1 ZINC000043805384 175107519 /nfs/dbraw/zinc/10/75/19/175107519.db2.gz FMPSPTJGSVZEFL-GOSISDBHSA-N 1 3 289.467 2.537 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043897052 175119844 /nfs/dbraw/zinc/11/98/44/175119844.db2.gz ALIFXOLZGLSVMQ-WMZOPIPTSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043897111 175119949 /nfs/dbraw/zinc/11/99/49/175119949.db2.gz MCBCPKOYNKXNPN-CVEARBPZSA-N 1 3 269.477 2.569 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965634 175126870 /nfs/dbraw/zinc/12/68/70/175126870.db2.gz ZFQUVIIQEDVJOB-CVEARBPZSA-N 1 3 283.504 2.959 10 0 CFAEHO Cc1[nH]c2ccccc2c1CN1CCC[C@H](C[NH3+])C1 ZINC000044528020 175192795 /nfs/dbraw/zinc/19/27/95/175192795.db2.gz HUEYOSOGMYOIEE-CYBMUJFWSA-N 1 3 257.381 2.647 10 0 CFAEHO Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000044558598 175203333 /nfs/dbraw/zinc/20/33/33/175203333.db2.gz USQXMETYHPYBJU-OAHLLOKOSA-N 1 3 262.397 2.577 10 0 CFAEHO Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2CN)c1 ZINC000044558598 175203334 /nfs/dbraw/zinc/20/33/34/175203334.db2.gz USQXMETYHPYBJU-OAHLLOKOSA-N 1 3 262.397 2.577 10 0 CFAEHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747606 175243061 /nfs/dbraw/zinc/24/30/61/175243061.db2.gz SNIRXOMNRPHZLK-CXAGYDPISA-N 1 3 274.408 2.701 10 0 CFAEHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747606 175243062 /nfs/dbraw/zinc/24/30/62/175243062.db2.gz SNIRXOMNRPHZLK-CXAGYDPISA-N 1 3 274.408 2.701 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044806128 175256346 /nfs/dbraw/zinc/25/63/46/175256346.db2.gz NEXLMHFGRKCHDO-HNNXBMFYSA-N 1 3 297.487 2.522 10 0 CFAEHO C[N@H+](CCCOc1ccccc1CN)CC(C)(C)C ZINC000045068713 175300910 /nfs/dbraw/zinc/30/09/10/175300910.db2.gz HXYYAMOTCSVFBL-UHFFFAOYSA-N 1 3 264.413 2.892 10 0 CFAEHO C[N@@H+](CCCOc1ccccc1CN)CC(C)(C)C ZINC000045068713 175300912 /nfs/dbraw/zinc/30/09/12/175300912.db2.gz HXYYAMOTCSVFBL-UHFFFAOYSA-N 1 3 264.413 2.892 10 0 CFAEHO CN(Cc1ccc(C(N)=[NH2+])cc1F)CC(C)(C)C ZINC000045074242 175302345 /nfs/dbraw/zinc/30/23/45/175302345.db2.gz OPDWOUBIMZYWPG-UHFFFAOYSA-N 1 3 251.349 2.588 10 0 CFAEHO CN(C)CCOCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000226206401 270256309 /nfs/dbraw/zinc/25/63/09/270256309.db2.gz KPYZPAMZTWRZOS-CABCVRRESA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)(CC[NH3+])NCc1cc(Br)cs1 ZINC000258725056 270274913 /nfs/dbraw/zinc/27/49/13/270274913.db2.gz DRHSOXRWJUZZJV-UHFFFAOYSA-N 1 3 277.231 2.728 10 0 CFAEHO CC(C)[NH+]1CCC(N2CCN([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000334357922 275626203 /nfs/dbraw/zinc/62/62/03/275626203.db2.gz RFMSVCAHNMIKMN-SJLPKXTDSA-N 1 3 293.499 2.665 10 0 CFAEHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000336528008 275949641 /nfs/dbraw/zinc/94/96/41/275949641.db2.gz ZIAWBGZPNOFHNJ-SJLPKXTDSA-N 1 3 293.499 2.665 10 0 CFAEHO CC1(C)SC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000335063207 276157892 /nfs/dbraw/zinc/15/78/92/276157892.db2.gz QHPJHKXCIJIFHQ-AWEZNQCLSA-N 1 3 268.470 2.877 10 0 CFAEHO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCNC1 ZINC000565821670 290327487 /nfs/dbraw/zinc/32/74/87/290327487.db2.gz ZATJZVUXBKJWSG-OCCSQVGLSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@@H](NCCc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000565821670 290327490 /nfs/dbraw/zinc/32/74/90/290327490.db2.gz ZATJZVUXBKJWSG-OCCSQVGLSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCCNC1 ZINC000567375363 290459403 /nfs/dbraw/zinc/45/94/03/290459403.db2.gz XBTRKCAAHRWFOM-YJNKXOJESA-N 1 3 268.445 2.558 10 0 CFAEHO CCC[NH2+]CCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573189 519911738 /nfs/dbraw/zinc/91/17/38/519911738.db2.gz MLSXWYXNMNYWCV-JKSUJKDBSA-N 1 3 268.445 2.800 10 0 CFAEHO CC[NH2+]CCC[C@@H](C)N1CCc2sccc2C1 ZINC000052416562 519920037 /nfs/dbraw/zinc/92/00/37/519920037.db2.gz CMCCRQKACGELSJ-GFCCVEGCSA-N 1 3 252.427 2.884 10 0 CFAEHO CCNC[C@]1(C[N@H+](C)C(C)(C)CC)CCCOC1 ZINC000069443737 519983697 /nfs/dbraw/zinc/98/36/97/519983697.db2.gz OSAGRMPRTZVMAF-HNNXBMFYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCNC[C@]1(C[N@@H+](C)C(C)(C)CC)CCCOC1 ZINC000069443737 519983703 /nfs/dbraw/zinc/98/37/03/519983703.db2.gz OSAGRMPRTZVMAF-HNNXBMFYSA-N 1 3 256.434 2.513 10 0 CFAEHO CC[NH2+]C[C@]1(CN(C)C(C)(C)CC)CCCOC1 ZINC000069443737 519983708 /nfs/dbraw/zinc/98/37/08/519983708.db2.gz OSAGRMPRTZVMAF-HNNXBMFYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCO[C@@H](C[NH3+])CCN(C)Cc1cccc(Cl)c1 ZINC000062740997 520306729 /nfs/dbraw/zinc/30/67/29/520306729.db2.gz AOWIJLNXERDABD-CQSZACIVSA-N 1 3 270.804 2.526 10 0 CFAEHO CCC[C@@H](C)N(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181887 520645601 /nfs/dbraw/zinc/64/56/01/520645601.db2.gz DKIILBSTWKNBSK-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000045666094 521657460 /nfs/dbraw/zinc/65/74/60/521657460.db2.gz BCDIXRNONCULQO-MRXNPFEDSA-N 1 3 295.496 2.682 10 0 CFAEHO CC(C)[NH2+]CCC[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543562 519721265 /nfs/dbraw/zinc/72/12/65/519721265.db2.gz LGINZAADZAYGHI-KBPBESRZSA-N 1 3 256.434 2.652 10 0 CFAEHO CC(C)[NH2+]CCC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417335 519721485 /nfs/dbraw/zinc/72/14/85/519721485.db2.gz MIHGWFRNOYJADA-KRWDZBQOSA-N 1 3 289.467 2.975 10 0 CFAEHO CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424445 519744794 /nfs/dbraw/zinc/74/47/94/519744794.db2.gz KDCZWQVYDSZYLZ-SFHVURJKSA-N 1 3 289.467 2.611 10 0 CFAEHO CC(C)C[NH2+]C[C@@]1(CN2CCC(C)(C)CC2)CCOC1 ZINC000061822369 519745543 /nfs/dbraw/zinc/74/55/43/519745543.db2.gz NLWHKZKKKLUSCD-QGZVFWFLSA-N 1 3 282.472 2.761 10 0 CFAEHO CCC[NH+]1CCC(NC2=N[C@@H](CC(C)C)CS2)CC1 ZINC000049559150 519846342 /nfs/dbraw/zinc/84/63/42/519846342.db2.gz GXWNATCNYCJZJJ-AWEZNQCLSA-N 1 3 283.485 2.968 10 0 CFAEHO CCNCC1(C[N@@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181817 519912709 /nfs/dbraw/zinc/91/27/09/519912709.db2.gz MQSUVZUUEPVPBD-OAHLLOKOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCNCC1(C[N@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181817 519912713 /nfs/dbraw/zinc/91/27/13/519912713.db2.gz MQSUVZUUEPVPBD-OAHLLOKOSA-N 1 3 268.445 2.515 10 0 CFAEHO CC[NH2+]CC1(CN2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181817 519912715 /nfs/dbraw/zinc/91/27/15/519912715.db2.gz MQSUVZUUEPVPBD-OAHLLOKOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCNCC1(C[N@@H+]2CCCC[C@H]2CC)CCOCC1 ZINC000052181282 519913030 /nfs/dbraw/zinc/91/30/30/519913030.db2.gz QLQWJTQTGGKXOA-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CCNCC1(C[N@H+]2CCCC[C@H]2CC)CCOCC1 ZINC000052181282 519913033 /nfs/dbraw/zinc/91/30/33/519913033.db2.gz QLQWJTQTGGKXOA-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+]CC1(CN2CCCC[C@H]2CC)CCOCC1 ZINC000052181282 519913036 /nfs/dbraw/zinc/91/30/36/519913036.db2.gz QLQWJTQTGGKXOA-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccc(C)c2)O1 ZINC000052346046 519953204 /nfs/dbraw/zinc/95/32/04/519953204.db2.gz NMRCSFPKEQTSAN-DLBZAZTESA-N 1 3 276.424 2.584 10 0 CFAEHO CCC[NH2+]Cc1occc1CN(C)[C@H]1CCSC1 ZINC000052453279 519972745 /nfs/dbraw/zinc/97/27/45/519972745.db2.gz LZEWIPSCFZXFFT-ZDUSSCGKSA-N 1 3 268.426 2.717 10 0 CFAEHO CC[NH2+][C@@H](C)CCCCN1CCN([C@@H](C)CC)CC1 ZINC000055065117 520071820 /nfs/dbraw/zinc/07/18/20/520071820.db2.gz XGYIKMDZDIQRGT-HOTGVXAUSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCCC[NH2+]C[C@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055075270 520224355 /nfs/dbraw/zinc/22/43/55/520224355.db2.gz XPAIYLXMVOXIHI-CVEARBPZSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[C@@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181887 520645589 /nfs/dbraw/zinc/64/55/89/520645589.db2.gz DKIILBSTWKNBSK-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC[C@@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181887 520645596 /nfs/dbraw/zinc/64/55/96/520645596.db2.gz DKIILBSTWKNBSK-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC(CC)[N@H+](CCOC)[C@H](C)CCNC1CC1 ZINC000052573417 521562678 /nfs/dbraw/zinc/56/26/78/521562678.db2.gz LQSHCLJDCQGMBD-CYBMUJFWSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC(CC)[N@@H+](CCOC)[C@H](C)CCNC1CC1 ZINC000052573417 521562683 /nfs/dbraw/zinc/56/26/83/521562683.db2.gz LQSHCLJDCQGMBD-CYBMUJFWSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC[NH+](CCC)CC1(CNC(C)C)CCOCC1 ZINC000052180906 521643180 /nfs/dbraw/zinc/64/31/80/521643180.db2.gz ZDUOECGQKSQJAF-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCc1ccccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052202785 521840559 /nfs/dbraw/zinc/84/05/59/521840559.db2.gz HHBLDPWBTCGOQN-AWEZNQCLSA-N 1 3 258.409 2.823 10 0 CFAEHO CCc1ccccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052202785 521840569 /nfs/dbraw/zinc/84/05/69/521840569.db2.gz HHBLDPWBTCGOQN-AWEZNQCLSA-N 1 3 258.409 2.823 10 0 CFAEHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000052202785 521840578 /nfs/dbraw/zinc/84/05/78/521840578.db2.gz HHBLDPWBTCGOQN-AWEZNQCLSA-N 1 3 258.409 2.823 10 0 CFAEHO CNCC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181997 521971183 /nfs/dbraw/zinc/97/11/83/521971183.db2.gz HRTNYQROAJHXID-JKSUJKDBSA-N 1 3 280.456 2.515 10 0 CFAEHO CNCC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181997 521971192 /nfs/dbraw/zinc/97/11/92/521971192.db2.gz HRTNYQROAJHXID-JKSUJKDBSA-N 1 3 280.456 2.515 10 0 CFAEHO C[NH2+]C[C@H](C)CN1CCC(Cc2ccccc2)CC1 ZINC000052443885 522070900 /nfs/dbraw/zinc/07/09/00/522070900.db2.gz UBRMKNIQZDKCLT-HNNXBMFYSA-N 1 3 260.425 2.797 10 0 CFAEHO CC[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089148760 522754507 /nfs/dbraw/zinc/75/45/07/522754507.db2.gz VBDHAILBGFYLPI-SNPRPXQTSA-N 1 3 262.397 2.863 10 0 CFAEHO CN1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000361886469 523781289 /nfs/dbraw/zinc/78/12/89/523781289.db2.gz LCJGPBNSOUBXAL-LSDHHAIUSA-N 1 3 282.472 2.638 10 0 CFAEHO CC[C@H](C)N(CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547242 523939082 /nfs/dbraw/zinc/93/90/82/523939082.db2.gz LLODAOBNCVDMFU-KBPBESRZSA-N 1 3 258.450 2.758 10 0 CFAEHO C[NH+](C)CC1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050443118 524049839 /nfs/dbraw/zinc/04/98/39/524049839.db2.gz APBHDBUYPITVAM-UHFFFAOYSA-N 1 3 281.831 2.696 10 0 CFAEHO C[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000050563678 524233110 /nfs/dbraw/zinc/23/31/10/524233110.db2.gz ACXZESFTOMDWPK-VXGBXAGGSA-N 1 3 250.361 2.905 10 0 CFAEHO Cc1cccc(N2CCN([C@@H](C)CCC[NH3+])CC2)c1C ZINC000052376271 524560881 /nfs/dbraw/zinc/56/08/81/524560881.db2.gz KZGOOHBWVXPFHQ-HNNXBMFYSA-N 1 3 275.440 2.553 10 0 CFAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CCCc2sccc21 ZINC000061363757 525418615 /nfs/dbraw/zinc/41/86/15/525418615.db2.gz DNBQVSOZIQPMKP-NQBHXWOUSA-N 1 3 250.411 2.937 10 0 CFAEHO Cc1cn[nH]c1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032217 /nfs/dbraw/zinc/03/22/17/526032217.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 1 3 298.434 2.891 10 0 CFAEHO Cc1cn[nH]c1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032227 /nfs/dbraw/zinc/03/22/27/526032227.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 1 3 298.434 2.891 10 0 CFAEHO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CCN(C(C)(C)C)CC2)C1 ZINC000048927174 526224160 /nfs/dbraw/zinc/22/41/60/526224160.db2.gz VYJRSEDEJLCXNB-MAUKXSAKSA-N 1 3 295.515 2.946 10 0 CFAEHO Cc1oc(CN2CC[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052484388 526773733 /nfs/dbraw/zinc/77/37/33/526773733.db2.gz AGVCZHJYEPREMV-LBPRGKRZSA-N 1 3 250.386 2.928 10 0 CFAEHO [NH3+][C@H]1CCCCC[C@@H]1CN1CCc2ccccc2C1 ZINC000053863402 527394289 /nfs/dbraw/zinc/39/42/89/527394289.db2.gz BTEAMHWYUBWUBO-SJORKVTESA-N 1 3 258.409 2.952 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593669 545500507 /nfs/dbraw/zinc/50/05/07/545500507.db2.gz NAQQZLDJXYDLHP-MGPQQGTHSA-N 1 3 266.335 2.793 10 0 CFAEHO Cc1nc([C@@H](C)N[C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442011 574355136 /nfs/dbraw/zinc/35/51/36/574355136.db2.gz AAGFDMJTAFJNGQ-WDEREUQCSA-N 1 3 267.442 2.832 10 0 CFAEHO CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261578439 619172697 /nfs/dbraw/zinc/17/26/97/619172697.db2.gz OZDCXKTYZXGMPI-MNOVXSKESA-N 1 3 264.335 2.649 10 0 CFAEHO C[C@@H]([NH3+])C1CCN(c2ccnc3ccccc32)CC1 ZINC000111612495 635115896 /nfs/dbraw/zinc/11/58/96/635115896.db2.gz FSLFZVFYURABFR-GFCCVEGCSA-N 1 3 255.365 2.798 10 0 CFAEHO CCC[NH2+]Cc1sc(CCN(CC)CC)nc1COC ZINC000082446911 178025012 /nfs/dbraw/zinc/02/50/12/178025012.db2.gz KIICYHIEZPOZBH-UHFFFAOYSA-N 1 3 299.484 2.673 10 0 CFAEHO CCC[NH+](CCC)[C@H]1CNc2c(CN)cccc2C1 ZINC000034741373 346319369 /nfs/dbraw/zinc/31/93/69/346319369.db2.gz JWIFZHGWAAXFMM-OAHLLOKOSA-N 1 3 261.413 2.604 10 0 CFAEHO CC(C)[N@@H+]1CCC[C@H](Nc2cnccc2N(C)C)CC1 ZINC000086837870 179352185 /nfs/dbraw/zinc/35/21/85/179352185.db2.gz GOUQBXZHTXLWPZ-AWEZNQCLSA-N 1 3 276.428 2.822 10 0 CFAEHO CC(C)[N@H+]1CCC[C@H](Nc2cnccc2N(C)C)CC1 ZINC000086837870 179352187 /nfs/dbraw/zinc/35/21/87/179352187.db2.gz GOUQBXZHTXLWPZ-AWEZNQCLSA-N 1 3 276.428 2.822 10 0 CFAEHO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000630565883 355113794 /nfs/dbraw/zinc/11/37/94/355113794.db2.gz BENSMXCJXUZDQN-DGCLKSJQSA-N 1 3 255.365 2.574 10 0 CFAEHO COc1ccc([C@@H](C)CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230371 189245330 /nfs/dbraw/zinc/24/53/30/189245330.db2.gz CTANBIMKIQBPBV-LSDHHAIUSA-N 1 3 276.424 2.682 10 0 CFAEHO C[C@@H](NCc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400480306 380861485 /nfs/dbraw/zinc/86/14/85/380861485.db2.gz FIYLYKWINOPHEC-HIFRSBDPSA-N 1 3 254.377 2.927 10 0 CFAEHO COc1ccccc1[C@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388342236 382606434 /nfs/dbraw/zinc/60/64/34/382606434.db2.gz XOVHXVAVJCWELE-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388342236 382606443 /nfs/dbraw/zinc/60/64/43/382606443.db2.gz XOVHXVAVJCWELE-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388342236 382606446 /nfs/dbraw/zinc/60/64/46/382606446.db2.gz XOVHXVAVJCWELE-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO C[C@H](Cc1ccsc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000575106076 382727188 /nfs/dbraw/zinc/72/71/88/382727188.db2.gz QEOLFMRVGUUYQC-YRGRVCCFSA-N 1 3 252.427 2.596 10 0 CFAEHO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCNC1 ZINC000575859734 382801816 /nfs/dbraw/zinc/80/18/16/382801816.db2.gz DLSATJIWAZYTOQ-WCQYABFASA-N 1 3 260.372 2.790 10 0 CFAEHO CN(Cc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000231455851 382865131 /nfs/dbraw/zinc/86/51/31/382865131.db2.gz ZIZJCFWLVDIQMN-INIZCTEOSA-N 1 3 269.392 2.809 10 0 CFAEHO CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261539828 383508787 /nfs/dbraw/zinc/50/87/87/383508787.db2.gz BPWDLODGXCRAHU-ZDUSSCGKSA-N 1 3 250.411 2.712 10 0 CFAEHO CCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261876414 383573945 /nfs/dbraw/zinc/57/39/45/383573945.db2.gz ZTQMTLAULHEPTP-USXIJHARSA-N 1 3 274.408 2.645 10 0 CFAEHO Cc1cccc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038271 383598731 /nfs/dbraw/zinc/59/87/31/383598731.db2.gz XYUKRGVUQBYGQQ-WBVHZDCISA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000262038271 383598733 /nfs/dbraw/zinc/59/87/33/383598733.db2.gz XYUKRGVUQBYGQQ-WBVHZDCISA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000262038271 383598736 /nfs/dbraw/zinc/59/87/36/383598736.db2.gz XYUKRGVUQBYGQQ-WBVHZDCISA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1csc([C@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000262227401 383612353 /nfs/dbraw/zinc/61/23/53/383612353.db2.gz NLTVKYUJODIIRG-CQSZACIVSA-N 1 3 279.453 2.978 10 0 CFAEHO CC[C@@H]1CN(c2ccnc3ccccc32)CC[C@@H]1[NH3+] ZINC000122973721 413008398 /nfs/dbraw/zinc/00/83/98/413008398.db2.gz WQLZUOZHIARYMF-OCCSQVGLSA-N 1 3 255.365 2.798 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222815 397539482 /nfs/dbraw/zinc/53/94/82/397539482.db2.gz WYBLVYSWJKIGBF-HYVNUMGLSA-N 1 3 256.393 2.733 10 0 CFAEHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(O)cc1 ZINC000020128755 171016696 /nfs/dbraw/zinc/01/66/96/171016696.db2.gz KSUDZZFNXQAXGM-AWEZNQCLSA-N 1 3 262.397 2.919 10 0 CFAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179638 171044352 /nfs/dbraw/zinc/04/43/52/171044352.db2.gz KZJPCHTZAKMVEU-INIZCTEOSA-N 1 3 295.858 2.613 10 0 CFAEHO CCCN(CCC)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022152596 171359584 /nfs/dbraw/zinc/35/95/84/171359584.db2.gz HQTRGGBBZJHKBS-ZDUSSCGKSA-N 1 3 277.412 2.594 10 0 CFAEHO [NH3+]C[C@H](CN1CCc2ccccc2C1)c1ccccc1 ZINC000035731339 172381661 /nfs/dbraw/zinc/38/16/61/172381661.db2.gz TZORIVMQWQYMKU-GOSISDBHSA-N 1 3 266.388 2.787 10 0 CFAEHO NC[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731339 172381664 /nfs/dbraw/zinc/38/16/64/172381664.db2.gz TZORIVMQWQYMKU-GOSISDBHSA-N 1 3 266.388 2.787 10 0 CFAEHO NC[C@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731339 172381665 /nfs/dbraw/zinc/38/16/65/172381665.db2.gz TZORIVMQWQYMKU-GOSISDBHSA-N 1 3 266.388 2.787 10 0 CFAEHO [NH3+]CCCCN[C@H]1CCOc2ccc(Br)cc21 ZINC000037715535 173634287 /nfs/dbraw/zinc/63/42/87/173634287.db2.gz CHVCTYWECKNUAB-LBPRGKRZSA-N 1 3 299.212 2.601 10 0 CFAEHO C[C@@H](N)c1cc(F)ccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240637 174213477 /nfs/dbraw/zinc/21/34/77/174213477.db2.gz WIJIGWCFQGCJIY-DGCLKSJQSA-N 1 3 266.360 2.709 10 0 CFAEHO C[C@@H](N)c1cc(F)ccc1OCC[C@H]1CCC[N@H+]1C ZINC000040240637 174213478 /nfs/dbraw/zinc/21/34/78/174213478.db2.gz WIJIGWCFQGCJIY-DGCLKSJQSA-N 1 3 266.360 2.709 10 0 CFAEHO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCCN(C)C1 ZINC000040668681 174367439 /nfs/dbraw/zinc/36/74/39/174367439.db2.gz FWTZZAXRDBVBSW-XMTFNYHQSA-N 1 3 295.515 2.817 10 0 CFAEHO NC[C@H](c1ccsc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693847 174377857 /nfs/dbraw/zinc/37/78/57/174377857.db2.gz WSRCCYFMPPFNGO-MRXNPFEDSA-N 1 3 293.480 2.698 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735911 174388999 /nfs/dbraw/zinc/38/89/99/174388999.db2.gz QHNUSNYQGXYVTC-ZBFHGGJFSA-N 1 3 276.424 2.645 10 0 CFAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 ZINC000040749432 174394062 /nfs/dbraw/zinc/39/40/62/174394062.db2.gz BHFMOMFEMVJYRE-AGUYFDCRSA-N 1 3 255.365 2.622 10 0 CFAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ncccc2c1 ZINC000040750375 174395083 /nfs/dbraw/zinc/39/50/83/174395083.db2.gz OJIFTCZTCPZXPR-MQVJKMGUSA-N 1 3 267.376 2.689 10 0 CFAEHO C[NH+](C)C1CCN([C@H](CN)c2ccc(Cl)c(F)c2)CC1 ZINC000043390355 175033501 /nfs/dbraw/zinc/03/35/01/175033501.db2.gz LNLNDPWVFGXLLQ-OAHLLOKOSA-N 1 3 299.821 2.505 10 0 CFAEHO COCC[N@H+]([C@H](CN)C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535029 175063547 /nfs/dbraw/zinc/06/35/47/175063547.db2.gz SWSMOBHWMWZSST-PBHICJAKSA-N 1 3 276.424 2.618 10 0 CFAEHO COCC[N@@H+]([C@H](CN)C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535029 175063548 /nfs/dbraw/zinc/06/35/48/175063548.db2.gz SWSMOBHWMWZSST-PBHICJAKSA-N 1 3 276.424 2.618 10 0 CFAEHO Cc1occc1CN(C)CCC[C@@H]1CCC[NH2+]C1 ZINC000043591996 175074299 /nfs/dbraw/zinc/07/42/99/175074299.db2.gz RINXPWXYSFZARD-AWEZNQCLSA-N 1 3 250.386 2.800 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815455 175112275 /nfs/dbraw/zinc/11/22/75/175112275.db2.gz BHGFCVARJCNXIW-SJORKVTESA-N 1 3 283.504 2.959 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815450 175112410 /nfs/dbraw/zinc/11/24/10/175112410.db2.gz BHGFCVARJCNXIW-DLBZAZTESA-N 1 3 283.504 2.959 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815361 175112430 /nfs/dbraw/zinc/11/24/30/175112430.db2.gz NHMICOKJDSUMMS-HOTGVXAUSA-N 1 3 269.477 2.569 10 0 CFAEHO CCc1ccc([C@H]([NH2+]C)[C@@H](C)N2CCCN(C)CC2)cc1 ZINC000043818259 175112949 /nfs/dbraw/zinc/11/29/49/175112949.db2.gz NCKUOYTWEXJKFW-CRAIPNDOSA-N 1 3 289.467 2.536 10 0 CFAEHO C[NH2+][C@@H](CN1CCCN(C)CC1)c1c(C)cc(C)cc1C ZINC000043818156 175113156 /nfs/dbraw/zinc/11/31/56/175113156.db2.gz NVCAGDJKZNYFCW-KRWDZBQOSA-N 1 3 289.467 2.510 10 0 CFAEHO CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CCCN(C)CC2)cc1 ZINC000043818265 175113442 /nfs/dbraw/zinc/11/34/42/175113442.db2.gz NCKUOYTWEXJKFW-YJBOKZPZSA-N 1 3 289.467 2.536 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897079 175120069 /nfs/dbraw/zinc/12/00/69/175120069.db2.gz OSPIMYQUWUURBX-IAGOWNOFSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965665 175127323 /nfs/dbraw/zinc/12/73/23/175127323.db2.gz WWTXCSTWIVOAJY-BBWFWOEESA-N 1 3 295.515 2.959 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967939 175129105 /nfs/dbraw/zinc/12/91/05/175129105.db2.gz LCVLSDJNXQTRIN-QZTJIDSGSA-N 1 3 293.499 2.715 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967987 175129269 /nfs/dbraw/zinc/12/92/69/175129269.db2.gz QSNFJKFPLFVQQA-NXHRZFHOSA-N 1 3 293.499 2.571 10 0 CFAEHO C[NH2+][C@H](CN(CCN(C)C)CC(C)C)c1ccc(C)cc1 ZINC000043981958 175133884 /nfs/dbraw/zinc/13/38/84/175133884.db2.gz LSVUUFSRXWLBHP-GOSISDBHSA-N 1 3 291.483 2.775 10 0 CFAEHO CCC[NH2+][C@H](CC)[C@H](C)N(CCN(C)C)CC(C)C ZINC000043982369 175134403 /nfs/dbraw/zinc/13/44/03/175134403.db2.gz QTUUFYWNYRGZAO-JKSUJKDBSA-N 1 3 271.493 2.673 10 0 CFAEHO CCC[C@@H](O)[C@@H](CC)[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162328 175147185 /nfs/dbraw/zinc/14/71/85/175147185.db2.gz CSSGIBPDVUSMMW-IAGOWNOFSA-N 1 3 282.472 2.876 10 0 CFAEHO CCOc1ccccc1[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044512053 175188432 /nfs/dbraw/zinc/18/84/32/175188432.db2.gz IVDHCHNIDACASY-ZDUSSCGKSA-N 1 3 262.397 2.817 10 0 CFAEHO [NH3+]C[C@H]1CCCN([C@@H]2CCSc3ccccc32)C1 ZINC000044527882 175192761 /nfs/dbraw/zinc/19/27/61/175192761.db2.gz KRBBTTXOFCKEAU-TZMCWYRMSA-N 1 3 262.422 2.894 10 0 CFAEHO [NH3+]C[C@H]1CCCN([C@@H](c2cccs2)C2CC2)C1 ZINC000044528083 175192964 /nfs/dbraw/zinc/19/29/64/175192964.db2.gz DIVCPDQHYCTOMJ-BXUZGUMPSA-N 1 3 250.411 2.870 10 0 CFAEHO NC[C@H]1CCC[N@@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000044528083 175192965 /nfs/dbraw/zinc/19/29/65/175192965.db2.gz DIVCPDQHYCTOMJ-BXUZGUMPSA-N 1 3 250.411 2.870 10 0 CFAEHO NC[C@H]1CCC[N@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000044528083 175192966 /nfs/dbraw/zinc/19/29/66/175192966.db2.gz DIVCPDQHYCTOMJ-BXUZGUMPSA-N 1 3 250.411 2.870 10 0 CFAEHO NC[C@H]1CCC[N@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529784 175193862 /nfs/dbraw/zinc/19/38/62/175193862.db2.gz QLAVGNQVKKVVDS-CWJHNBGESA-N 1 3 262.441 2.874 10 0 CFAEHO NC[C@H]1CCC[N@@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529784 175193863 /nfs/dbraw/zinc/19/38/63/175193863.db2.gz QLAVGNQVKKVVDS-CWJHNBGESA-N 1 3 262.441 2.874 10 0 CFAEHO Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2CN)cc1C ZINC000044557016 175202702 /nfs/dbraw/zinc/20/27/02/175202702.db2.gz CDBYQSKWDZMSEL-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2CN)cc1C ZINC000044557016 175202703 /nfs/dbraw/zinc/20/27/03/175202703.db2.gz CDBYQSKWDZMSEL-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@H](C)CN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660207 175226234 /nfs/dbraw/zinc/22/62/34/175226234.db2.gz ZNPKNFXVQUADKA-YALNPMBYSA-N 1 3 258.409 2.720 10 0 CFAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000044674833 175227002 /nfs/dbraw/zinc/22/70/02/175227002.db2.gz SVZBNHWYHXEAAQ-SLUKUZTOSA-N 1 3 256.393 2.757 10 0 CFAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000044674833 175227003 /nfs/dbraw/zinc/22/70/03/175227003.db2.gz SVZBNHWYHXEAAQ-SLUKUZTOSA-N 1 3 256.393 2.757 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690776 175233379 /nfs/dbraw/zinc/23/33/79/175233379.db2.gz SJKIZFIUYPRHAD-ZNMIVQPWSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)COCC)C1 ZINC000044690776 175233381 /nfs/dbraw/zinc/23/33/81/175233381.db2.gz SJKIZFIUYPRHAD-ZNMIVQPWSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)COCC)C1 ZINC000044690776 175233383 /nfs/dbraw/zinc/23/33/83/175233383.db2.gz SJKIZFIUYPRHAD-ZNMIVQPWSA-N 1 3 256.434 2.512 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@H](C)[NH+]1CCCCC1 ZINC000045005562 175288492 /nfs/dbraw/zinc/28/84/92/175288492.db2.gz SRKUNFJBROOBKY-ZDUSSCGKSA-N 1 3 272.396 2.801 10 0 CFAEHO C[N@H+](CCCC(=O)Nc1ccccc1CN)CC(C)(C)C ZINC000045068493 175300033 /nfs/dbraw/zinc/30/00/33/175300033.db2.gz LRNMRJLJKUYOTP-UHFFFAOYSA-N 1 3 291.439 2.842 10 0 CFAEHO C[N@@H+](CCCC(=O)Nc1ccccc1CN)CC(C)(C)C ZINC000045068493 175300034 /nfs/dbraw/zinc/30/00/34/175300034.db2.gz LRNMRJLJKUYOTP-UHFFFAOYSA-N 1 3 291.439 2.842 10 0 CFAEHO CN1CC[C@H](C[N@H+](C)Cc2cccc(Br)c2)C1 ZINC000071190411 176066320 /nfs/dbraw/zinc/06/63/20/176066320.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 1 3 297.240 2.833 10 0 CFAEHO CN1CC[C@H](C[N@@H+](C)Cc2cccc(Br)c2)C1 ZINC000071190411 176066321 /nfs/dbraw/zinc/06/63/21/176066321.db2.gz XTPSXYZSKMSWFL-ZDUSSCGKSA-N 1 3 297.240 2.833 10 0 CFAEHO CCC[C@@H](C)N(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267691 176101315 /nfs/dbraw/zinc/10/13/15/176101315.db2.gz DSNHVYLGBACFNI-SNVBAGLBSA-N 1 3 251.349 2.730 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000400649291 290009012 /nfs/dbraw/zinc/00/90/12/290009012.db2.gz PPDBWGQPEPPETD-QCNOEVLYSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000400649291 290009015 /nfs/dbraw/zinc/00/90/15/290009015.db2.gz PPDBWGQPEPPETD-QCNOEVLYSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCC(F)(F)CC1 ZINC000423265394 290012671 /nfs/dbraw/zinc/01/26/71/290012671.db2.gz CXABCFRXCLGBNZ-WCFLWFBJSA-N 1 3 260.372 2.917 10 0 CFAEHO CCCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646868 290016400 /nfs/dbraw/zinc/01/64/00/290016400.db2.gz FAQYRDIHJYOESZ-UAGQMJEPSA-N 1 3 274.408 2.645 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000389910718 324521219 /nfs/dbraw/zinc/52/12/19/324521219.db2.gz JNMNITVUOLLLHG-NVXWUHKLSA-N 1 3 276.424 2.714 10 0 CFAEHO CC(C)CCOCC[N@H+](CCCN)C1CCCC1 ZINC000049265187 519665603 /nfs/dbraw/zinc/66/56/03/519665603.db2.gz QLCXRSZKQQKOAA-UHFFFAOYSA-N 1 3 256.434 2.643 10 0 CFAEHO CC(C)CCOCC[N@@H+](CCCN)C1CCCC1 ZINC000049265187 519665606 /nfs/dbraw/zinc/66/56/06/519665606.db2.gz QLCXRSZKQQKOAA-UHFFFAOYSA-N 1 3 256.434 2.643 10 0 CFAEHO CC(C)CCOCCN(CCC[NH3+])C1CCCC1 ZINC000049265187 519665607 /nfs/dbraw/zinc/66/56/07/519665607.db2.gz QLCXRSZKQQKOAA-UHFFFAOYSA-N 1 3 256.434 2.643 10 0 CFAEHO CC(C)NCC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181348 519719995 /nfs/dbraw/zinc/71/99/95/519719995.db2.gz UCYGFRYMZIAQLG-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)NCC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181348 519719997 /nfs/dbraw/zinc/71/99/97/519719997.db2.gz UCYGFRYMZIAQLG-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)[NH2+]CC1(CN(C)C2CCCC2)CCOCC1 ZINC000052181348 519719998 /nfs/dbraw/zinc/71/99/98/519719998.db2.gz UCYGFRYMZIAQLG-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCCC1CC[NH+](CCCC[C@](C)(NCC)C(N)=O)CC1 ZINC000050905938 519900805 /nfs/dbraw/zinc/90/08/05/519900805.db2.gz AHDTUXWBQANSOO-KRWDZBQOSA-N 1 3 297.487 2.522 10 0 CFAEHO CCC[NH2+]CC1(CN(C)CCC(C)C)CCOCC1 ZINC000052197844 519909514 /nfs/dbraw/zinc/90/95/14/519909514.db2.gz GOBMDODUJUROPQ-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181739 519910147 /nfs/dbraw/zinc/91/01/47/519910147.db2.gz YZEOVXKIVNPTQY-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181739 519910148 /nfs/dbraw/zinc/91/01/48/519910148.db2.gz YZEOVXKIVNPTQY-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@H](C)C(C)C)CCOCC1 ZINC000052181739 519910153 /nfs/dbraw/zinc/91/01/53/519910153.db2.gz YZEOVXKIVNPTQY-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]Cc1occc1CN(CC)[C@H](C)COC ZINC000052504830 519973904 /nfs/dbraw/zinc/97/39/04/519973904.db2.gz HSWPPOSGNANXFT-CYBMUJFWSA-N 1 3 268.401 2.636 10 0 CFAEHO CNCc1oc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000052420954 522162246 /nfs/dbraw/zinc/16/22/46/522162246.db2.gz CXXQXVFNVORKDN-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CNCc1oc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000052420954 522162258 /nfs/dbraw/zinc/16/22/58/522162258.db2.gz CXXQXVFNVORKDN-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CC(C)[NH2+]CC1(CN2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180556 519720342 /nfs/dbraw/zinc/72/03/42/519720342.db2.gz PBLPBAUKZRFJPW-HOTGVXAUSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)NCC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180556 519720343 /nfs/dbraw/zinc/72/03/43/519720343.db2.gz PBLPBAUKZRFJPW-HOTGVXAUSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443267 519726937 /nfs/dbraw/zinc/72/69/37/519726937.db2.gz ASKXIQWBVAECRK-UHFFFAOYSA-N 1 3 264.438 2.733 10 0 CFAEHO CC(C)C[NH2+]CCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000052380754 519743187 /nfs/dbraw/zinc/74/31/87/519743187.db2.gz ZMSPNYITAFDJTA-GJZGRUSLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417547 519746075 /nfs/dbraw/zinc/74/60/75/519746075.db2.gz MDTLGPDFWUFLCE-MSOLQXFVSA-N 1 3 290.451 2.912 10 0 CFAEHO CC(C)C[NH2+]Cc1ccccc1OCCN1CCCC1 ZINC000052377428 519747686 /nfs/dbraw/zinc/74/76/86/519747686.db2.gz HMHVEWNXWVPGCA-UHFFFAOYSA-N 1 3 276.424 2.907 10 0 CFAEHO CCCC1CCN(CC2(C[NH2+]CC)CCOCC2)CC1 ZINC000052182111 519900799 /nfs/dbraw/zinc/90/07/99/519900799.db2.gz DZCYUOOYBYCPJY-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCC1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000050893885 519902296 /nfs/dbraw/zinc/90/22/96/519902296.db2.gz QLTGOGVYQPUGJI-UHFFFAOYSA-N 1 3 259.397 2.983 10 0 CFAEHO CCC[NH2+]CC1(CN2CCCC[C@H]2C)CCOCC1 ZINC000052180693 519909967 /nfs/dbraw/zinc/90/99/67/519909967.db2.gz BTUXZYDPHXMBNF-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CCNCC1(C[N@H+](C)C(CC)CC)CCOCC1 ZINC000052181718 519911553 /nfs/dbraw/zinc/91/15/53/519911553.db2.gz JAXSJHODKWEIFN-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCNCC1(C[N@@H+](C)C(CC)CC)CCOCC1 ZINC000052181718 519911556 /nfs/dbraw/zinc/91/15/56/519911556.db2.gz JAXSJHODKWEIFN-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[NH2+]CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000052418169 519912328 /nfs/dbraw/zinc/91/23/28/519912328.db2.gz JLMBWTKSMCLGDO-UHFFFAOYSA-N 1 3 293.430 2.728 10 0 CFAEHO CCC[NH2+]CCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416922 519912463 /nfs/dbraw/zinc/91/24/63/519912463.db2.gz NMGKWYUIZLEVTP-GOSISDBHSA-N 1 3 289.467 2.755 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424733 519954011 /nfs/dbraw/zinc/95/40/11/519954011.db2.gz HHTCJTQKZLVVEI-DLBZAZTESA-N 1 3 276.424 2.584 10 0 CFAEHO CCC[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443309 519956781 /nfs/dbraw/zinc/95/67/81/519956781.db2.gz JCGLXOPEBKZEDC-UHFFFAOYSA-N 1 3 264.438 2.735 10 0 CFAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@@H]1CCSC1 ZINC000052453163 519958441 /nfs/dbraw/zinc/95/84/41/519958441.db2.gz VRQXBZHQLOSNFT-CYBMUJFWSA-N 1 3 268.426 2.717 10 0 CFAEHO CCC[NH2+]Cc1occc1CN(CC)[C@@H](C)COC ZINC000052504828 519972160 /nfs/dbraw/zinc/97/21/60/519972160.db2.gz HSWPPOSGNANXFT-ZDUSSCGKSA-N 1 3 268.401 2.636 10 0 CFAEHO CCC[NH2+][C@@H](CCC)CN1CCN([C@@H](C)CC)CC1 ZINC000055065016 519993373 /nfs/dbraw/zinc/99/33/73/519993373.db2.gz CHVOLQAESPCSFC-HOTGVXAUSA-N 1 3 269.477 2.571 10 0 CFAEHO CCN(CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181262 520937228 /nfs/dbraw/zinc/93/72/28/520937228.db2.gz LSDCLBTUKYKSQC-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000069380868 521119913 /nfs/dbraw/zinc/11/99/13/521119913.db2.gz WFUICEMQGPZNQG-CVEARBPZSA-N 1 3 269.477 2.700 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCN([C@H](C)CC)CC1 ZINC000069380873 521256239 /nfs/dbraw/zinc/25/62/39/521256239.db2.gz WFUICEMQGPZNQG-HZPDHXFCSA-N 1 3 269.477 2.700 10 0 CFAEHO CCC[N@H+](CC1CC1)CC1(CNC(C)C)CCOCC1 ZINC000052182661 521624950 /nfs/dbraw/zinc/62/49/50/521624950.db2.gz UGAPIIMZJBDHSS-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[N@@H+](CC1CC1)CC1(CNC(C)C)CCOCC1 ZINC000052182661 521624955 /nfs/dbraw/zinc/62/49/55/521624955.db2.gz UGAPIIMZJBDHSS-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO C[NH2+]CC[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000052443897 522019110 /nfs/dbraw/zinc/01/91/10/522019110.db2.gz MQPWORFZJYTTIO-HNNXBMFYSA-N 1 3 260.425 2.939 10 0 CFAEHO CNCC[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443897 522019114 /nfs/dbraw/zinc/01/91/14/522019114.db2.gz MQPWORFZJYTTIO-HNNXBMFYSA-N 1 3 260.425 2.939 10 0 CFAEHO C[NH2+]C[C@@H](O[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000061702386 522038545 /nfs/dbraw/zinc/03/85/45/522038545.db2.gz BGHBRXWFFQSDBK-DLBZAZTESA-N 1 3 276.424 2.522 10 0 CFAEHO CNCc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)oc1C ZINC000052420591 522109279 /nfs/dbraw/zinc/10/92/79/522109279.db2.gz FMXDCHJQVUMENX-VXGBXAGGSA-N 1 3 250.386 2.785 10 0 CFAEHO C[NH2+]Cc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000052419158 522116541 /nfs/dbraw/zinc/11/65/41/522116541.db2.gz ZBZXGHCIMQPRSM-UHFFFAOYSA-N 1 3 266.388 2.964 10 0 CFAEHO C[NH2+]Cc1oc2ccccc2c1CN1CCSCC1 ZINC000052425552 522159575 /nfs/dbraw/zinc/15/95/75/522159575.db2.gz LGIINMMGPOUTCU-UHFFFAOYSA-N 1 3 276.405 2.701 10 0 CFAEHO CNCc1oc2ccccc2c1C[NH+]1CCC(OC)CC1 ZINC000052455225 522160865 /nfs/dbraw/zinc/16/08/65/522160865.db2.gz SEDRPUUDFAAAFW-UHFFFAOYSA-N 1 3 288.391 2.763 10 0 CFAEHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553201 522732852 /nfs/dbraw/zinc/73/28/52/522732852.db2.gz XHLDYRQEHASZMF-DOMZBBRYSA-N 1 3 250.386 2.773 10 0 CFAEHO COc1ccc(CN(CCC[NH3+])CC(C)C)cc1 ZINC000068817377 524012542 /nfs/dbraw/zinc/01/25/42/524012542.db2.gz YIAKMIUPPITFCK-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO COc1ccc(C[N@H+](CCCN)CC(C)C)cc1 ZINC000068817377 524012546 /nfs/dbraw/zinc/01/25/46/524012546.db2.gz YIAKMIUPPITFCK-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO COc1ccc(C[N@@H+](CCCN)CC(C)C)cc1 ZINC000068817377 524012548 /nfs/dbraw/zinc/01/25/48/524012548.db2.gz YIAKMIUPPITFCK-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO C[C@H](CCC[NH2+]C(C)(C)C)N1CCOC(C)(C)C1 ZINC000052481862 524142661 /nfs/dbraw/zinc/14/26/61/524142661.db2.gz JHWDAUJHQCMZFB-CYBMUJFWSA-N 1 3 256.434 2.654 10 0 CFAEHO Cc1cccc(N2CCN(CCCC[C@H](C)[NH3+])CC2)c1 ZINC000045599105 524555731 /nfs/dbraw/zinc/55/57/31/524555731.db2.gz BVPQBUKCDMWLTO-INIZCTEOSA-N 1 3 275.440 2.635 10 0 CFAEHO C[C@@H]1[C@@H](C)CCCN1Cc1cc(C[NH3+])ccc1F ZINC000050563681 525639306 /nfs/dbraw/zinc/63/93/06/525639306.db2.gz HYZQUDIMKCGOGP-NWDGAFQWSA-N 1 3 250.361 2.905 10 0 CFAEHO Cc1occc1CN(C)CCC[C@H]1CCCC[NH2+]1 ZINC000050953186 526822587 /nfs/dbraw/zinc/82/25/87/526822587.db2.gz OCGHGUNQVHWXJB-OAHLLOKOSA-N 1 3 250.386 2.942 10 0 CFAEHO Cc1occc1CN(C)CCC[C@@H]1CCCC[NH2+]1 ZINC000050953184 526823505 /nfs/dbraw/zinc/82/35/05/526823505.db2.gz OCGHGUNQVHWXJB-HNNXBMFYSA-N 1 3 250.386 2.942 10 0 CFAEHO [NH3+]CC1(N2CCN(C3CCCC3)CC2)CCCCCCC1 ZINC000052060793 527163283 /nfs/dbraw/zinc/16/32/83/527163283.db2.gz DFMIORTUPJRRRG-UHFFFAOYSA-N 1 3 293.499 2.988 10 0 CFAEHO CCC[C@H]1CC[NH2+]C2(CCN(CC(C)C)CC2)O1 ZINC000757140347 617795134 /nfs/dbraw/zinc/79/51/34/617795134.db2.gz BAQAOSSWSCQNJL-AWEZNQCLSA-N 1 3 254.418 2.613 10 0 CFAEHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250639537 625136061 /nfs/dbraw/zinc/13/60/61/625136061.db2.gz VSNRIHKVDALSQM-DUVNUKRYSA-N 1 3 262.397 2.863 10 0 CFAEHO CC[N@@H+]1CCC[C@H]1CNCc1ccnc2ccccc12 ZINC000111763330 347756273 /nfs/dbraw/zinc/75/62/73/347756273.db2.gz DFROGAGODYYXRJ-HNNXBMFYSA-N 1 3 269.392 2.809 10 0 CFAEHO CC[N@H+]1CCC[C@H]1CNCc1ccnc2ccccc12 ZINC000111763330 347756274 /nfs/dbraw/zinc/75/62/74/347756274.db2.gz DFROGAGODYYXRJ-HNNXBMFYSA-N 1 3 269.392 2.809 10 0 CFAEHO CC[N@@H+]1CCC[C@@H](NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000086836022 179349530 /nfs/dbraw/zinc/34/95/30/179349530.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 1 3 289.467 2.753 10 0 CFAEHO CC[N@H+]1CCC[C@@H](NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000086836022 179349532 /nfs/dbraw/zinc/34/95/32/179349532.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 1 3 289.467 2.753 10 0 CFAEHO CCN1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000086836022 179349535 /nfs/dbraw/zinc/34/95/35/179349535.db2.gz UTNPQZNZRIABQB-MSOLQXFVSA-N 1 3 289.467 2.753 10 0 CFAEHO C[N@@H+]1CCC[C@H](NCCSc2ccccc2)CC1 ZINC000086818807 179347201 /nfs/dbraw/zinc/34/72/01/179347201.db2.gz APAXSGWDALWIOL-AWEZNQCLSA-N 1 3 264.438 2.853 10 0 CFAEHO C[N@H+]1CCC[C@H](NCCSc2ccccc2)CC1 ZINC000086818807 179347204 /nfs/dbraw/zinc/34/72/04/179347204.db2.gz APAXSGWDALWIOL-AWEZNQCLSA-N 1 3 264.438 2.853 10 0 CFAEHO CC(C)C[N@H+](C1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848075 179357098 /nfs/dbraw/zinc/35/70/98/179357098.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 1 3 281.488 2.699 10 0 CFAEHO CC(C)C[N@@H+](C1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848075 179357101 /nfs/dbraw/zinc/35/71/01/179357101.db2.gz YHLRUJLOFDEXNT-KRWDZBQOSA-N 1 3 281.488 2.699 10 0 CFAEHO COC[C@H]([NH2+][C@@H]1CCCN(C(C)C)CC1)C(C)C ZINC000086845955 179355622 /nfs/dbraw/zinc/35/56/22/179355622.db2.gz UQWGCLFTGCPKLJ-CABCVRRESA-N 1 3 256.434 2.510 10 0 CFAEHO COC[C@H](N[C@@H]1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000086845955 179355623 /nfs/dbraw/zinc/35/56/23/179355623.db2.gz UQWGCLFTGCPKLJ-CABCVRRESA-N 1 3 256.434 2.510 10 0 CFAEHO COC[C@H](N[C@@H]1CCC[N@H+](C(C)C)CC1)C(C)C ZINC000086845955 179355624 /nfs/dbraw/zinc/35/56/24/179355624.db2.gz UQWGCLFTGCPKLJ-CABCVRRESA-N 1 3 256.434 2.510 10 0 CFAEHO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089144283 179722620 /nfs/dbraw/zinc/72/26/20/179722620.db2.gz DMHRCZZNKGDVKO-UNEWFSDZSA-N 1 3 276.424 2.820 10 0 CFAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCCN(C)C ZINC000219318794 540731301 /nfs/dbraw/zinc/73/13/01/540731301.db2.gz YMWHKTQHYHBHSB-PMPSAXMXSA-N 1 3 270.461 2.615 10 0 CFAEHO C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)C1CNC1 ZINC000422981131 296158441 /nfs/dbraw/zinc/15/84/41/296158441.db2.gz NIQYCANPEGDONU-INOYMQOOSA-N 1 3 262.441 2.789 10 0 CFAEHO C[C@H]([NH3+])[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000104417444 375782992 /nfs/dbraw/zinc/78/29/92/375782992.db2.gz XTYNSFHEMGWCHD-QWHCGFSZSA-N 1 3 255.365 2.798 10 0 CFAEHO COc1ccc(Br)cc1[C@@H](N)CCCC[NH3+] ZINC000575440502 382771739 /nfs/dbraw/zinc/77/17/39/382771739.db2.gz ZVSZCIGBUHZLRH-NSHDSACASA-N 1 3 287.201 2.587 10 0 CFAEHO CC[C@@](C)(O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305467 383338819 /nfs/dbraw/zinc/33/88/19/383338819.db2.gz CWIDHPROISBXHH-DLBZAZTESA-N 1 3 282.472 2.591 10 0 CFAEHO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000249305467 383338824 /nfs/dbraw/zinc/33/88/24/383338824.db2.gz CWIDHPROISBXHH-DLBZAZTESA-N 1 3 282.472 2.591 10 0 CFAEHO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000249305467 383338825 /nfs/dbraw/zinc/33/88/25/383338825.db2.gz CWIDHPROISBXHH-DLBZAZTESA-N 1 3 282.472 2.591 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000261726109 383548692 /nfs/dbraw/zinc/54/86/92/383548692.db2.gz KURILYZDTFCRBI-KWCYVHTRSA-N 1 3 284.325 2.875 10 0 CFAEHO Brc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000261543343 383509096 /nfs/dbraw/zinc/50/90/96/383509096.db2.gz CXEPKUWINAHHQU-AWEZNQCLSA-N 1 3 297.240 2.723 10 0 CFAEHO Brc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000261543343 383509102 /nfs/dbraw/zinc/50/91/02/383509102.db2.gz CXEPKUWINAHHQU-AWEZNQCLSA-N 1 3 297.240 2.723 10 0 CFAEHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000261558884 383511212 /nfs/dbraw/zinc/51/12/12/383511212.db2.gz SVUXSUCBVSGIQW-UBHSHLNASA-N 1 3 250.411 2.534 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262031024 383597616 /nfs/dbraw/zinc/59/76/16/383597616.db2.gz XEYHEJZCSATHQB-RYQLBKOJSA-N 1 3 286.419 2.645 10 0 CFAEHO CCC[C@@](C)(N)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668161 383634312 /nfs/dbraw/zinc/63/43/12/383634312.db2.gz LQOJZJRERYHFAX-NVXWUHKLSA-N 1 3 297.487 2.521 10 0 CFAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)CC(F)(F)F ZINC000643495101 384660712 /nfs/dbraw/zinc/66/07/12/384660712.db2.gz JGMJHVNYULQNAL-DCAQKATOSA-N 1 3 252.324 2.553 10 0 CFAEHO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCN1 ZINC000400685307 393601204 /nfs/dbraw/zinc/60/12/04/393601204.db2.gz XXCSKWSWZYQURK-WNYYMSAVSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000400685310 287011331 /nfs/dbraw/zinc/01/13/31/287011331.db2.gz XXCSKWSWZYQURK-YYJSSNLHSA-N 1 3 264.335 2.838 10 0 CFAEHO CCCCCC[C@@](C)(C[NH3+])N1CCN(CCC)CC1 ZINC000020362601 171161941 /nfs/dbraw/zinc/16/19/41/171161941.db2.gz MIYJLSITQVBKRH-INIZCTEOSA-N 1 3 269.477 2.702 10 0 CFAEHO Cc1ncsc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000037229389 173048987 /nfs/dbraw/zinc/04/89/87/173048987.db2.gz LQWBRGYFGUOUKL-GFCCVEGCSA-N 1 3 267.442 2.978 10 0 CFAEHO CC[NH+]1CCC([C@@H](C)NCc2nc(C)cs2)CC1 ZINC000038090937 174105014 /nfs/dbraw/zinc/10/50/14/174105014.db2.gz VWAJHNCZXDJODD-GFCCVEGCSA-N 1 3 267.442 2.662 10 0 CFAEHO CC[NH+](CC)CCn1c(CNC)nc2ccc(Cl)cc21 ZINC000040405721 174254172 /nfs/dbraw/zinc/25/41/72/174254172.db2.gz WQZVNWXVJPMBDP-UHFFFAOYSA-N 1 3 294.830 2.751 10 0 CFAEHO CC[C@H](c1ccc(O)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749320 174394196 /nfs/dbraw/zinc/39/41/96/174394196.db2.gz WLJBAZCBWJFVRC-NQKGRLOXSA-N 1 3 260.381 2.797 10 0 CFAEHO COc1ccc(CC[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC(N)C3)cc1 ZINC000040749448 174394576 /nfs/dbraw/zinc/39/45/76/174394576.db2.gz AHPDSBXYXXXSLG-HZTRTUMWSA-N 1 3 288.435 2.970 10 0 CFAEHO COc1ccc(CC[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)cc1 ZINC000040749448 174394577 /nfs/dbraw/zinc/39/45/77/174394577.db2.gz AHPDSBXYXXXSLG-HZTRTUMWSA-N 1 3 288.435 2.970 10 0 CFAEHO COc1ccccc1CN(CCC[NH3+])C1CCCC1 ZINC000043457202 175049864 /nfs/dbraw/zinc/04/98/64/175049864.db2.gz MHGSZBSYWLXTRR-UHFFFAOYSA-N 1 3 262.397 2.789 10 0 CFAEHO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(OCCN(C)C)ccc21 ZINC000043460376 175050918 /nfs/dbraw/zinc/05/09/18/175050918.db2.gz MGLPCHNWTOHPGC-OAHLLOKOSA-N 1 3 292.423 2.839 10 0 CFAEHO CC(C)N1CCN([C@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000043534815 175062933 /nfs/dbraw/zinc/06/29/33/175062933.db2.gz BLDSKRYGWFILER-AEFFLSMTSA-N 1 3 289.467 2.534 10 0 CFAEHO CC(C)N1CCN([C@@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000043534816 175063054 /nfs/dbraw/zinc/06/30/54/175063054.db2.gz BLDSKRYGWFILER-SJLPKXTDSA-N 1 3 289.467 2.534 10 0 CFAEHO COCC[N@H+]([C@@H](CN)C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535032 175063477 /nfs/dbraw/zinc/06/34/77/175063477.db2.gz SWSMOBHWMWZSST-RHSMWYFYSA-N 1 3 276.424 2.618 10 0 CFAEHO COCC[N@@H+]([C@@H](CN)C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535032 175063479 /nfs/dbraw/zinc/06/34/79/175063479.db2.gz SWSMOBHWMWZSST-RHSMWYFYSA-N 1 3 276.424 2.618 10 0 CFAEHO c1cc2c(s1)CCN(CCC[C@@H]1CCC[NH2+]C1)C2 ZINC000043591719 175074096 /nfs/dbraw/zinc/07/40/96/175074096.db2.gz YVTDDOOBJBAPEC-ZDUSSCGKSA-N 1 3 264.438 2.886 10 0 CFAEHO CCCN1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805499 175107826 /nfs/dbraw/zinc/10/78/26/175107826.db2.gz SBNUOHQXOZFCEN-DLBZAZTESA-N 1 3 281.488 2.715 10 0 CFAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043896961 175119779 /nfs/dbraw/zinc/11/97/79/175119779.db2.gz FYHGPHMLAJVNJG-FUHWJXTLSA-N 1 3 289.467 2.670 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897075 175120014 /nfs/dbraw/zinc/12/00/14/175120014.db2.gz OSPIMYQUWUURBX-SJORKVTESA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043897205 175120128 /nfs/dbraw/zinc/12/01/28/175120128.db2.gz RHKJGWKVVLKWEZ-SJORKVTESA-N 1 3 283.504 2.959 10 0 CFAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN(C)C2CCOCC2)c1 ZINC000043898313 175120976 /nfs/dbraw/zinc/12/09/76/175120976.db2.gz NAAPRDAITWSOCV-ZDUSSCGKSA-N 1 3 292.423 2.586 10 0 CFAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965714 175127055 /nfs/dbraw/zinc/12/70/55/175127055.db2.gz ZXOIDKOYNOQZJX-HOTGVXAUSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967988 175128826 /nfs/dbraw/zinc/12/88/26/175128826.db2.gz QSNFJKFPLFVQQA-NJAFHUGGSA-N 1 3 293.499 2.571 10 0 CFAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982018 175134019 /nfs/dbraw/zinc/13/40/19/175134019.db2.gz YKWNURKEYMRDIN-IRXDYDNUSA-N 1 3 283.504 2.817 10 0 CFAEHO CC[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044133023 175145632 /nfs/dbraw/zinc/14/56/32/175145632.db2.gz PYVHIOUBRDROGJ-DLBZAZTESA-N 1 3 276.424 2.525 10 0 CFAEHO CCCN1CCN([C@@H](C)[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471600 175177999 /nfs/dbraw/zinc/17/79/99/175177999.db2.gz YPBRVYLXTQZGNS-WMZOPIPTSA-N 1 3 289.467 2.672 10 0 CFAEHO CCCN1CCN([C@H](C)[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471610 175178033 /nfs/dbraw/zinc/17/80/33/175178033.db2.gz YPBRVYLXTQZGNS-SJLPKXTDSA-N 1 3 289.467 2.672 10 0 CFAEHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747568 175243122 /nfs/dbraw/zinc/24/31/22/175243122.db2.gz ZCUYKNZDTHHESG-BLLLJJGKSA-N 1 3 262.397 2.699 10 0 CFAEHO CN(CC(C)(C)C)[C@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000045070745 175301304 /nfs/dbraw/zinc/30/13/04/175301304.db2.gz IJYFIJLTGZKCAE-SFHVURJKSA-N 1 3 289.467 2.568 10 0 CFAEHO CC1(C)CCN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000076697698 177060982 /nfs/dbraw/zinc/06/09/82/177060982.db2.gz WEOUOCZEZPJAKT-JKSUJKDBSA-N 1 3 258.409 2.897 10 0 CFAEHO CC1(C)CC[N@H+](Cc2ccccc2)[C@@H]2CCNC[C@@H]21 ZINC000076697698 177060984 /nfs/dbraw/zinc/06/09/84/177060984.db2.gz WEOUOCZEZPJAKT-JKSUJKDBSA-N 1 3 258.409 2.897 10 0 CFAEHO CC1(C)CC[N@@H+](Cc2ccccc2)[C@@H]2CCNC[C@@H]21 ZINC000076697698 177060985 /nfs/dbraw/zinc/06/09/85/177060985.db2.gz WEOUOCZEZPJAKT-JKSUJKDBSA-N 1 3 258.409 2.897 10 0 CFAEHO Cc1cc(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261612404 280385651 /nfs/dbraw/zinc/38/56/51/280385651.db2.gz SPNHRUBWWPWLQC-BHYGNILZSA-N 1 3 258.409 2.781 10 0 CFAEHO CCCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000312646865 290016473 /nfs/dbraw/zinc/01/64/73/290016473.db2.gz FAQYRDIHJYOESZ-BHYGNILZSA-N 1 3 274.408 2.645 10 0 CFAEHO C[C@H](NCCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089554 290346984 /nfs/dbraw/zinc/34/69/84/290346984.db2.gz OIPCLWDMJPSJDQ-UONOGXRCSA-N 1 3 264.438 2.756 10 0 CFAEHO C[C@H]([NH2+]CCSc1ccccc1)[C@@H]1CCCNC1 ZINC000566089554 290346985 /nfs/dbraw/zinc/34/69/85/290346985.db2.gz OIPCLWDMJPSJDQ-UONOGXRCSA-N 1 3 264.438 2.756 10 0 CFAEHO F[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000334494377 294731500 /nfs/dbraw/zinc/73/15/00/294731500.db2.gz DMAFSIROIZWPCT-GXTWGEPZSA-N 1 3 254.393 2.874 10 0 CFAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000227084412 303407129 /nfs/dbraw/zinc/40/71/29/303407129.db2.gz QQCVSWTZPDQKKY-QCNOEVLYSA-N 1 3 264.335 2.825 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)s1 ZINC000582295401 325193182 /nfs/dbraw/zinc/19/31/82/325193182.db2.gz HFXXHTGOXWWLMF-FPMFFAJLSA-N 1 3 266.454 2.965 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCC[C@H](C)C2)CCOCC1 ZINC000052180809 519742693 /nfs/dbraw/zinc/74/26/93/519742693.db2.gz VAGZCRPPCHKPMO-INIZCTEOSA-N 1 3 282.472 2.761 10 0 CFAEHO CCC[NH2+]CCCCCN1C[C@@H](C)OC[C@@H]1CC ZINC000052571144 519912039 /nfs/dbraw/zinc/91/20/39/519912039.db2.gz PWMIJQQSDOKZGU-CABCVRRESA-N 1 3 256.434 2.656 10 0 CFAEHO CCNCC1(C[N@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197780 519913208 /nfs/dbraw/zinc/91/32/08/519913208.db2.gz BRCBCMIIFGVTRO-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197780 519913211 /nfs/dbraw/zinc/91/32/11/519913211.db2.gz BRCBCMIIFGVTRO-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[NH2+]CCCCCN1CCc2sccc2C1 ZINC000052416575 519919406 /nfs/dbraw/zinc/91/94/06/519919406.db2.gz FCRTZZPAUBHMHV-UHFFFAOYSA-N 1 3 252.427 2.886 10 0 CFAEHO CC[NH2+]Cc1cc(CN(C)[C@@H]2CCSC2)c(C)o1 ZINC000052453619 519988903 /nfs/dbraw/zinc/98/89/03/519988903.db2.gz IFZVYPIVJNUJND-CYBMUJFWSA-N 1 3 268.426 2.635 10 0 CFAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239835 520958677 /nfs/dbraw/zinc/95/86/77/520958677.db2.gz JFHDILRDHUIRBP-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@@]1(CNC(C)(C)C)CCOC1 ZINC000069239835 520958684 /nfs/dbraw/zinc/95/86/84/520958684.db2.gz JFHDILRDHUIRBP-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@@]1(CNC(C)(C)C)CCOC1 ZINC000069239835 520958691 /nfs/dbraw/zinc/95/86/91/520958691.db2.gz JFHDILRDHUIRBP-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183514 521969058 /nfs/dbraw/zinc/96/90/58/521969058.db2.gz TUXPRPCFXKXYEG-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183514 521969062 /nfs/dbraw/zinc/96/90/62/521969062.db2.gz TUXPRPCFXKXYEG-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)oc1C ZINC000052373280 522108243 /nfs/dbraw/zinc/10/82/43/522108243.db2.gz HVGOEJACVNSMMS-RYUDHWBXSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)oc1C ZINC000052373280 522108251 /nfs/dbraw/zinc/10/82/51/522108251.db2.gz HVGOEJACVNSMMS-RYUDHWBXSA-N 1 3 250.386 2.928 10 0 CFAEHO CC(C)[NH2+]CCCCCN1CCN(c2ccccc2)CC1 ZINC000052417341 519720475 /nfs/dbraw/zinc/72/04/75/519720475.db2.gz ADGFJAFEKCZXMC-UHFFFAOYSA-N 1 3 289.467 2.977 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424735 519951609 /nfs/dbraw/zinc/95/16/09/519951609.db2.gz HHTCJTQKZLVVEI-IRXDYDNUSA-N 1 3 276.424 2.584 10 0 CFAEHO CCCC[NH+](CCCC)C[C@]1(CNC)CCOC1 ZINC000051214612 520495892 /nfs/dbraw/zinc/49/58/92/520495892.db2.gz CKLQHAXOPPSOFD-OAHLLOKOSA-N 1 3 256.434 2.515 10 0 CFAEHO CN(C)Cc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050944094 521927210 /nfs/dbraw/zinc/92/72/10/521927210.db2.gz TYBWYWFDJNMGDT-OAHLLOKOSA-N 1 3 289.423 2.609 10 0 CFAEHO CNCC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182767 521970268 /nfs/dbraw/zinc/97/02/68/521970268.db2.gz FJFNFTDWDKTOQS-INIZCTEOSA-N 1 3 280.456 2.657 10 0 CFAEHO CNCC1(C[N@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182767 521970278 /nfs/dbraw/zinc/97/02/78/521970278.db2.gz FJFNFTDWDKTOQS-INIZCTEOSA-N 1 3 280.456 2.657 10 0 CFAEHO CNCc1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373061 522141582 /nfs/dbraw/zinc/14/15/82/522141582.db2.gz NUZQLBVBFNJRKB-MRXNPFEDSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1ccoc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373061 522141589 /nfs/dbraw/zinc/14/15/89/522141589.db2.gz NUZQLBVBFNJRKB-MRXNPFEDSA-N 1 3 270.376 2.989 10 0 CFAEHO CN(CC1CC1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182156 522626958 /nfs/dbraw/zinc/62/69/58/522626958.db2.gz PIIVIHVMBOWEGF-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO C[N@@H+]1CCC[C@H]1CCOc1cccc(Cl)c1CN ZINC000052904937 523850820 /nfs/dbraw/zinc/85/08/20/523850820.db2.gz YOMQGVWXRNGJSQ-NSHDSACASA-N 1 3 268.788 2.662 10 0 CFAEHO C[N@H+]1CCC[C@H]1CCOc1cccc(Cl)c1CN ZINC000052904937 523850822 /nfs/dbraw/zinc/85/08/22/523850822.db2.gz YOMQGVWXRNGJSQ-NSHDSACASA-N 1 3 268.788 2.662 10 0 CFAEHO C[C@@H]1CCCN1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180449 524261843 /nfs/dbraw/zinc/26/18/43/524261843.db2.gz GRNACYBJYVQEPP-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO C[C@@H](CC[NH+](C)C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000049559254 524473643 /nfs/dbraw/zinc/47/36/43/524473643.db2.gz QGPFEUFEPSERRJ-JSGCOSHPSA-N 1 3 277.437 2.760 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@@H]([NH3+])c1ccccc1 ZINC000049147239 524747517 /nfs/dbraw/zinc/74/75/17/524747517.db2.gz KGHNWBNNPPRBQC-CZUORRHYSA-N 1 3 258.365 2.890 10 0 CFAEHO C[C@@H](Cc1ccco1)NCC[C@H]([NH3+])c1ccccc1 ZINC000049147236 524928784 /nfs/dbraw/zinc/92/87/84/524928784.db2.gz KGHNWBNNPPRBQC-BBRMVZONSA-N 1 3 258.365 2.890 10 0 CFAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CCCc2ccccc2)C1 ZINC000049666796 525095858 /nfs/dbraw/zinc/09/58/58/525095858.db2.gz AASFVYXCNYZCKE-HZPDHXFCSA-N 1 3 260.425 2.797 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCCc2ccccc2)C1 ZINC000049666796 525095861 /nfs/dbraw/zinc/09/58/61/525095861.db2.gz AASFVYXCNYZCKE-HZPDHXFCSA-N 1 3 260.425 2.797 10 0 CFAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCCc2sccc21 ZINC000061363761 525246559 /nfs/dbraw/zinc/24/65/59/525246559.db2.gz DNBQVSOZIQPMKP-NTZNESFSSA-N 1 3 250.411 2.937 10 0 CFAEHO Cc1cc([C@H](C[NH3+])N(CCN(C)C)CC(C)C)ccc1F ZINC000050558557 525537087 /nfs/dbraw/zinc/53/70/87/525537087.db2.gz DRAPCELEOGGPDL-KRWDZBQOSA-N 1 3 295.446 2.654 10 0 CFAEHO C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C[NH3+])cc1F ZINC000050563679 525641605 /nfs/dbraw/zinc/64/16/05/525641605.db2.gz ACXZESFTOMDWPK-NWDGAFQWSA-N 1 3 250.361 2.905 10 0 CFAEHO NCc1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061656634 527264932 /nfs/dbraw/zinc/26/49/32/527264932.db2.gz BXVBHYJLHHWNHO-UONOGXRCSA-N 1 3 259.397 2.552 10 0 CFAEHO NCc1ncccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061656634 527264941 /nfs/dbraw/zinc/26/49/41/527264941.db2.gz BXVBHYJLHHWNHO-UONOGXRCSA-N 1 3 259.397 2.552 10 0 CFAEHO Cc1ncc(C[NH2+]CC[C@@H](N)c2ccccc2)s1 ZINC000049538891 527270181 /nfs/dbraw/zinc/27/01/81/527270181.db2.gz RLJXPSYRISKFBN-CQSZACIVSA-N 1 3 261.394 2.631 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3coc4ccccc34)C[C@H]12 ZINC000261576900 619172539 /nfs/dbraw/zinc/17/25/39/619172539.db2.gz CJZDMZRBWMBEBS-TUKIKUTGSA-N 1 3 256.349 2.602 10 0 CFAEHO CC[NH+](CC)CCc1nc(C(C)C)c(CN)s1 ZINC000082434514 178011368 /nfs/dbraw/zinc/01/13/68/178011368.db2.gz DOILAXABFYTOTF-UHFFFAOYSA-N 1 3 255.431 2.610 10 0 CFAEHO C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(Cl)cc21 ZINC000082509372 178076366 /nfs/dbraw/zinc/07/63/66/178076366.db2.gz ZHZXFZBHFKCNST-ZDUSSCGKSA-N 1 3 280.799 2.847 10 0 CFAEHO Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000229099928 136392164 /nfs/dbraw/zinc/39/21/64/136392164.db2.gz CURLJGXSNOBPSX-JSGCOSHPSA-N 1 3 269.392 2.964 10 0 CFAEHO C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCCN(C)CC2)(N(C)C)C1 ZINC000086818871 179347942 /nfs/dbraw/zinc/34/79/42/179347942.db2.gz MTSNUDVBJHNNRO-BRWVUGGUSA-N 1 3 281.488 2.571 10 0 CFAEHO CN(C)CCOc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818678 179346458 /nfs/dbraw/zinc/34/64/58/179346458.db2.gz CMSLEMFGTPXODN-OAHLLOKOSA-N 1 3 291.439 2.523 10 0 CFAEHO CN(C)CCOc1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818678 179346461 /nfs/dbraw/zinc/34/64/61/179346461.db2.gz CMSLEMFGTPXODN-OAHLLOKOSA-N 1 3 291.439 2.523 10 0 CFAEHO CCC[C@H](COC)[NH2+][C@H]1CCCN(CCC)CC1 ZINC000086845544 179355649 /nfs/dbraw/zinc/35/56/49/179355649.db2.gz KIICBSLYZTXXMY-LSDHHAIUSA-N 1 3 256.434 2.656 10 0 CFAEHO CCC[C@H](COC)N[C@H]1CCC[N@H+](CCC)CC1 ZINC000086845544 179355650 /nfs/dbraw/zinc/35/56/50/179355650.db2.gz KIICBSLYZTXXMY-LSDHHAIUSA-N 1 3 256.434 2.656 10 0 CFAEHO CCC[C@H](COC)N[C@H]1CCC[N@@H+](CCC)CC1 ZINC000086845544 179355651 /nfs/dbraw/zinc/35/56/51/179355651.db2.gz KIICBSLYZTXXMY-LSDHHAIUSA-N 1 3 256.434 2.656 10 0 CFAEHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCc3ccccc32)C1 ZINC000250496504 348288075 /nfs/dbraw/zinc/28/80/75/348288075.db2.gz JLJGPEYPFDWSCN-YOEHRIQHSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCc3ccccc32)C1 ZINC000250496504 348288079 /nfs/dbraw/zinc/28/80/79/348288079.db2.gz JLJGPEYPFDWSCN-YOEHRIQHSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496504 348288085 /nfs/dbraw/zinc/28/80/85/348288085.db2.gz JLJGPEYPFDWSCN-YOEHRIQHSA-N 1 3 258.409 2.994 10 0 CFAEHO CCCC1CCC(CN)([NH2+]CCN(CC)CC)CC1 ZINC000087912637 179521063 /nfs/dbraw/zinc/52/10/63/179521063.db2.gz PLFFTCSEGIMSEL-UHFFFAOYSA-N 1 3 269.477 2.606 10 0 CFAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NCCOC1CCCCC1)C2 ZINC000104441426 186003471 /nfs/dbraw/zinc/00/34/71/186003471.db2.gz KRBIFICAIITCKV-GOOCMWNKSA-N 1 3 266.429 2.551 10 0 CFAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCOC1CCCCC1)C2 ZINC000104441426 186003472 /nfs/dbraw/zinc/00/34/72/186003472.db2.gz KRBIFICAIITCKV-GOOCMWNKSA-N 1 3 266.429 2.551 10 0 CFAEHO [NH3+]C1(Cc2ccc(-c3ccccc3)cc2)CCNCC1 ZINC000090587470 180009696 /nfs/dbraw/zinc/00/96/96/180009696.db2.gz CJYUWWNTMWRTLB-UHFFFAOYSA-N 1 3 266.388 2.977 10 0 CFAEHO NC1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000090587470 180009698 /nfs/dbraw/zinc/00/96/98/180009698.db2.gz CJYUWWNTMWRTLB-UHFFFAOYSA-N 1 3 266.388 2.977 10 0 CFAEHO C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837095 355600683 /nfs/dbraw/zinc/60/06/83/355600683.db2.gz MUBWVVQDILZCTJ-PWSUYJOCSA-N 1 3 288.313 2.612 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839531 355602330 /nfs/dbraw/zinc/60/23/30/355602330.db2.gz HIKIXPAIEJAFCC-HIFRSBDPSA-N 1 3 262.397 2.500 10 0 CFAEHO CN(C)CCNc1cc(N2CCCC2)[nH+]c2ccccc12 ZINC000253495232 189993573 /nfs/dbraw/zinc/99/35/73/189993573.db2.gz NQIPPTHQQHTAEW-UHFFFAOYSA-N 1 3 284.407 2.809 10 0 CFAEHO CCN(CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531372 377938467 /nfs/dbraw/zinc/93/84/67/377938467.db2.gz OIYVRLCHUMXZBZ-ROUUACIJSA-N 1 3 289.467 2.801 10 0 CFAEHO COc1ccccc1C[C@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380423519 382514662 /nfs/dbraw/zinc/51/46/62/382514662.db2.gz XXOXPACEDHTSIU-JKIFEVAISA-N 1 3 276.424 2.543 10 0 CFAEHO N[C@H](CCC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575438541 382771008 /nfs/dbraw/zinc/77/10/08/382771008.db2.gz LVNRBOKIENEFOE-MRVPVSSYSA-N 1 3 251.132 2.871 10 0 CFAEHO Clc1ccc(CCNC[C@@H]2CCC[NH2+]C2)s1 ZINC000226349304 382827405 /nfs/dbraw/zinc/82/74/05/382827405.db2.gz ANKDPHSDNMFCRX-SNVBAGLBSA-N 1 3 258.818 2.533 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067049 383138853 /nfs/dbraw/zinc/13/88/53/383138853.db2.gz IJLGXYBFSXVCNN-BPQIPLTHSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067049 383138855 /nfs/dbraw/zinc/13/88/55/383138855.db2.gz IJLGXYBFSXVCNN-BPQIPLTHSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000520564852 383263080 /nfs/dbraw/zinc/26/30/80/383263080.db2.gz DPYYZIFDWKBJOB-LSDHHAIUSA-N 1 3 268.445 2.704 10 0 CFAEHO CCCOc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998179 383453556 /nfs/dbraw/zinc/45/35/56/383453556.db2.gz BUSMMPHWWXGIJS-HIFRSBDPSA-N 1 3 262.397 2.502 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587131 383520742 /nfs/dbraw/zinc/52/07/42/383520742.db2.gz JGQBVUVZNKZMQW-AEGPPILISA-N 1 3 256.349 2.602 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588738 383522658 /nfs/dbraw/zinc/52/26/58/383522658.db2.gz KIKOSWKDRVPLMF-GVDBMIGSSA-N 1 3 256.393 2.733 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]12 ZINC000261593667 383523679 /nfs/dbraw/zinc/52/36/79/383523679.db2.gz NAQQZLDJXYDLHP-HZSPNIEDSA-N 1 3 266.335 2.793 10 0 CFAEHO CCC[C@@](C)(N)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668159 383633957 /nfs/dbraw/zinc/63/39/57/383633957.db2.gz LQOJZJRERYHFAX-DOTOQJQBSA-N 1 3 297.487 2.521 10 0 CFAEHO C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CCCNC1 ZINC000643460670 384642966 /nfs/dbraw/zinc/64/29/66/384642966.db2.gz AXEXCSTWAPAPPC-GJZGRUSLSA-N 1 3 260.425 2.942 10 0 CFAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000381735747 393567251 /nfs/dbraw/zinc/56/72/51/393567251.db2.gz TWZVPQVCNUQJJC-JHJVBQTASA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000381735747 393567253 /nfs/dbraw/zinc/56/72/53/393567253.db2.gz TWZVPQVCNUQJJC-JHJVBQTASA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735747 393567256 /nfs/dbraw/zinc/56/72/56/393567256.db2.gz TWZVPQVCNUQJJC-JHJVBQTASA-N 1 3 260.372 2.729 10 0 CFAEHO COc1ccc([C@@H](C)CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000245638509 393820124 /nfs/dbraw/zinc/82/01/24/393820124.db2.gz CTANBIMKIQBPBV-GJZGRUSLSA-N 1 3 276.424 2.682 10 0 CFAEHO CCc1ccc([C@@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1 ZINC000020179538 171044557 /nfs/dbraw/zinc/04/45/57/171044557.db2.gz MLSGPPBGDZWRHD-GOSISDBHSA-N 1 3 289.467 2.522 10 0 CFAEHO COC(C)(C)C[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000020524682 171237601 /nfs/dbraw/zinc/23/76/01/171237601.db2.gz SAOTXXQGNICKFK-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCN(CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022217752 171376304 /nfs/dbraw/zinc/37/63/04/171376304.db2.gz JULBGHXQTQKJBW-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO CCCc1ccc([C@H]([NH3+])CN2CCN(CCC)CC2)cc1 ZINC000022562749 171391034 /nfs/dbraw/zinc/39/10/34/171391034.db2.gz NIQCIYRYPKCJQP-GOSISDBHSA-N 1 3 289.467 2.667 10 0 CFAEHO CCCC1CCC(C[NH3+])(N2CCN(CCC)CC2)CC1 ZINC000037489513 173231379 /nfs/dbraw/zinc/23/13/79/173231379.db2.gz KSKWHDOOIOVDTR-UHFFFAOYSA-N 1 3 281.488 2.702 10 0 CFAEHO CCCCOCC[NH2+][C@H](C)[C@@H]1CCCN(CC)C1 ZINC000040506730 174301991 /nfs/dbraw/zinc/30/19/91/174301991.db2.gz UZJCJUWZDWTZHA-HUUCEWRRSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000040506730 174301993 /nfs/dbraw/zinc/30/19/93/174301993.db2.gz UZJCJUWZDWTZHA-HUUCEWRRSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000040506730 174301995 /nfs/dbraw/zinc/30/19/95/174301995.db2.gz UZJCJUWZDWTZHA-HUUCEWRRSA-N 1 3 256.434 2.513 10 0 CFAEHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000040621500 174354527 /nfs/dbraw/zinc/35/45/27/174354527.db2.gz JLJGPEYPFDWSCN-WMLDXEAASA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000040621500 174354530 /nfs/dbraw/zinc/35/45/30/174354530.db2.gz JLJGPEYPFDWSCN-WMLDXEAASA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621500 174354531 /nfs/dbraw/zinc/35/45/31/174354531.db2.gz JLJGPEYPFDWSCN-WMLDXEAASA-N 1 3 258.409 2.994 10 0 CFAEHO CCN(CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747491 174392714 /nfs/dbraw/zinc/39/27/14/174392714.db2.gz XSOSYFZQLITZQL-SJPCQFCGSA-N 1 3 258.409 2.834 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCN(C)C)CC(C)C ZINC000043336305 175012045 /nfs/dbraw/zinc/01/20/45/175012045.db2.gz GHEHEEOLPFDNTI-GOEBONIOSA-N 1 3 281.444 2.578 10 0 CFAEHO C[NH2+]Cc1ccccc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000043559854 175065855 /nfs/dbraw/zinc/06/58/55/175065855.db2.gz QQNAFMNXCYTNNM-IHRRRGAJSA-N 1 3 289.423 2.606 10 0 CFAEHO CCCN1CCN([C@H]2C[C@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805509 175107548 /nfs/dbraw/zinc/10/75/48/175107548.db2.gz QHLGYRNPSIUEIY-IKGGRYGDSA-N 1 3 281.488 2.571 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]CC)c2ccccc2C)CC1 ZINC000043805540 175107707 /nfs/dbraw/zinc/10/77/07/175107707.db2.gz UEYWQPMUSOISLQ-GOSISDBHSA-N 1 3 289.467 2.673 10 0 CFAEHO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CCCN(C)CC2)cc1 ZINC000043818261 175112940 /nfs/dbraw/zinc/11/29/40/175112940.db2.gz NCKUOYTWEXJKFW-QAPCUYQASA-N 1 3 289.467 2.536 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CCCN(C)CC1 ZINC000043818135 175113046 /nfs/dbraw/zinc/11/30/46/175113046.db2.gz IUQCLWATYRSMIW-QZTJIDSGSA-N 1 3 289.467 2.609 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818541 175113851 /nfs/dbraw/zinc/11/38/51/175113851.db2.gz WEGZFIPYUREHOL-SJORKVTESA-N 1 3 281.488 2.715 10 0 CFAEHO CCC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccccc1C ZINC000043818576 175113926 /nfs/dbraw/zinc/11/39/26/175113926.db2.gz NVJSSFPQILFGBF-SFHVURJKSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1 ZINC000043897047 175119988 /nfs/dbraw/zinc/11/99/88/175119988.db2.gz UFOKHAYDBBIHJL-GOSISDBHSA-N 1 3 289.467 2.672 10 0 CFAEHO C[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000043965438 175126377 /nfs/dbraw/zinc/12/63/77/175126377.db2.gz ALHXKBJORXGBJZ-QGZVFWFLSA-N 1 3 289.467 2.672 10 0 CFAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965571 175127084 /nfs/dbraw/zinc/12/70/84/175127084.db2.gz OQNUOIBDTQHFFQ-PMPSAXMXSA-N 1 3 281.488 2.569 10 0 CFAEHO CCC[NH2+][C@@H](C)CCN(CCOC)C(CC)CC ZINC000043977264 175133565 /nfs/dbraw/zinc/13/35/65/175133565.db2.gz SNOMZWFOTOQLOU-AWEZNQCLSA-N 1 3 258.450 2.902 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982158 175133880 /nfs/dbraw/zinc/13/38/80/175133880.db2.gz NYCSOVDHGCXMGG-BBWFWOEESA-N 1 3 283.504 2.673 10 0 CFAEHO CCC[C@@H]([NH2+]C)[C@H](CC)N(CCN(C)C)CC(C)C ZINC000043982089 175133971 /nfs/dbraw/zinc/13/39/71/175133971.db2.gz RIKQQQGEPPUMAK-CVEARBPZSA-N 1 3 271.493 2.673 10 0 CFAEHO CCC[NH2+][C@H](CN(CCN(C)C)CC(C)C)C(C)(C)C ZINC000043982337 175134145 /nfs/dbraw/zinc/13/41/45/175134145.db2.gz YWYONOIZKNGMKR-MRXNPFEDSA-N 1 3 285.520 2.920 10 0 CFAEHO C[NH+](C)C1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044133057 175145157 /nfs/dbraw/zinc/14/51/57/175145157.db2.gz ZFDBYRYVKMPLII-IMJJTQAJSA-N 1 3 282.472 2.588 10 0 CFAEHO CCCN1CCN([C@H](c2cccc(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418427 175173140 /nfs/dbraw/zinc/17/31/40/175173140.db2.gz RAXDCFINSCKIIH-ZWKOTPCHSA-N 1 3 289.467 2.801 10 0 CFAEHO CCCN1CCN([C@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000044427757 175175477 /nfs/dbraw/zinc/17/54/77/175175477.db2.gz NBHUCHRSIJOVLX-AEFFLSMTSA-N 1 3 289.467 2.535 10 0 CFAEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(Br)cc2)C1 ZINC000071190404 176066768 /nfs/dbraw/zinc/06/67/68/176066768.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 1 3 297.240 2.833 10 0 CFAEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2)C1 ZINC000071190404 176066769 /nfs/dbraw/zinc/06/67/69/176066769.db2.gz HBOAKXYBWPAQLU-CYBMUJFWSA-N 1 3 297.240 2.833 10 0 CFAEHO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1 ZINC000261872011 280579340 /nfs/dbraw/zinc/57/93/40/280579340.db2.gz ZCOCQNWUEBGXCQ-KRWDZBQOSA-N 1 3 267.376 2.733 10 0 CFAEHO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)CC(F)(F)F ZINC000575795009 322729557 /nfs/dbraw/zinc/72/95/57/322729557.db2.gz ASAWGCCRWSXBAD-SDDRHHMPSA-N 1 3 266.351 2.943 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1CC2CCC1CC2 ZINC000382070307 324425169 /nfs/dbraw/zinc/42/51/69/324425169.db2.gz GZVHYEDOEUCFIQ-LWQJKRBBSA-N 1 3 250.430 2.790 10 0 CFAEHO CC(C)CC[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197849 519650486 /nfs/dbraw/zinc/65/04/86/519650486.db2.gz DXYQJXTUUAZLIP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)CC[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197849 519650490 /nfs/dbraw/zinc/65/04/90/519650490.db2.gz DXYQJXTUUAZLIP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)CCN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197849 519650494 /nfs/dbraw/zinc/65/04/94/519650494.db2.gz DXYQJXTUUAZLIP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)NCC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181785 519719800 /nfs/dbraw/zinc/71/98/00/519719800.db2.gz KTFNFSWKIFDVRP-CQSZACIVSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)NCC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181785 519719802 /nfs/dbraw/zinc/71/98/02/519719802.db2.gz KTFNFSWKIFDVRP-CQSZACIVSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)[NH2+]CC1(CN(C)[C@H](C)C2CC2)CCOCC1 ZINC000052181785 519719804 /nfs/dbraw/zinc/71/98/04/519719804.db2.gz KTFNFSWKIFDVRP-CQSZACIVSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 ZINC000052380709 519743603 /nfs/dbraw/zinc/74/36/03/519743603.db2.gz ILPOSYZZNNPLLG-KKUMJFAQSA-N 1 3 256.434 2.510 10 0 CFAEHO CCCC(C[NH3+])(CCC)N1CCN(C2CCCC2)CC1 ZINC000052060776 519885033 /nfs/dbraw/zinc/88/50/33/519885033.db2.gz NUJDKVNRQNFTNR-UHFFFAOYSA-N 1 3 281.488 2.844 10 0 CFAEHO CC[NH2+]CC1(CN2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198217 519913828 /nfs/dbraw/zinc/91/38/28/519913828.db2.gz FDHNNWCYDCCWAW-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198217 519913832 /nfs/dbraw/zinc/91/38/32/519913832.db2.gz FDHNNWCYDCCWAW-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@H+]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198217 519913833 /nfs/dbraw/zinc/91/38/33/519913833.db2.gz FDHNNWCYDCCWAW-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CCC(C)(C)[N@H+](C)C[C@]1(CNC(C)C)CCCOC1 ZINC000069443759 521305424 /nfs/dbraw/zinc/30/54/24/521305424.db2.gz GPRPMTDTNNFKOO-MRXNPFEDSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC(C)(C)[N@@H+](C)C[C@]1(CNC(C)C)CCCOC1 ZINC000069443759 521305430 /nfs/dbraw/zinc/30/54/30/521305430.db2.gz GPRPMTDTNNFKOO-MRXNPFEDSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@@H](C)N(C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181194 522050246 /nfs/dbraw/zinc/05/02/46/522050246.db2.gz KKARTDWPUGKZGX-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052503250 519716693 /nfs/dbraw/zinc/71/66/93/519716693.db2.gz BAWNPUBRUVLQDC-INIZCTEOSA-N 1 3 285.520 2.919 10 0 CFAEHO CC(C)[NH2+]CC1(CN(C)CC(C)(C)C)CCOCC1 ZINC000052197542 519719651 /nfs/dbraw/zinc/71/96/51/519719651.db2.gz WZUBNVYROLHRTE-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccccc2)O1 ZINC000052417534 519724079 /nfs/dbraw/zinc/72/40/79/519724079.db2.gz JOZHCYANTIQTLO-DLBZAZTESA-N 1 3 276.424 2.664 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417537 519725155 /nfs/dbraw/zinc/72/51/55/519725155.db2.gz JOZHCYANTIQTLO-SJORKVTESA-N 1 3 276.424 2.664 10 0 CFAEHO CC(C)C[NH2+]Cc1ccoc1CN(C)[C@@H]1CCSC1 ZINC000052453179 519747994 /nfs/dbraw/zinc/74/79/94/519747994.db2.gz LZFIISCDIWEHEU-CQSZACIVSA-N 1 3 282.453 2.963 10 0 CFAEHO CCC1CCC(N(C)Cc2cc[nH+]c(NN)c2)CC1 ZINC000052722164 519853230 /nfs/dbraw/zinc/85/32/30/519853230.db2.gz IDALZFVKQAYPCI-UHFFFAOYSA-N 1 3 262.401 2.768 10 0 CFAEHO CCCN1CCN([C@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422105 519859844 /nfs/dbraw/zinc/85/98/44/519859844.db2.gz IVLKKXWQLDWTGM-GOSISDBHSA-N 1 3 289.467 2.753 10 0 CFAEHO CCCC1CCN(CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000050893898 519901284 /nfs/dbraw/zinc/90/12/84/519901284.db2.gz FUAJJVFFJUWHLA-UHFFFAOYSA-N 1 3 289.423 2.862 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@H](CC)C2)CCOCC1 ZINC000052181821 519911037 /nfs/dbraw/zinc/91/10/37/519911037.db2.gz VOKWVSYZGVECBM-INIZCTEOSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181821 519911040 /nfs/dbraw/zinc/91/10/40/519911040.db2.gz VOKWVSYZGVECBM-INIZCTEOSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181821 519911042 /nfs/dbraw/zinc/91/10/42/519911042.db2.gz VOKWVSYZGVECBM-INIZCTEOSA-N 1 3 282.472 2.905 10 0 CFAEHO CCNCC1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181992 519913487 /nfs/dbraw/zinc/91/34/87/519913487.db2.gz GORRTLYEMVMMCM-IAGOWNOFSA-N 1 3 294.483 2.905 10 0 CFAEHO CCNCC1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181992 519913490 /nfs/dbraw/zinc/91/34/90/519913490.db2.gz GORRTLYEMVMMCM-IAGOWNOFSA-N 1 3 294.483 2.905 10 0 CFAEHO CCC[NH2+]C[C@@H](c1ccccc1)N1CCN(CCC)CC1 ZINC000052422099 519922427 /nfs/dbraw/zinc/92/24/27/519922427.db2.gz BYIOGHKXVDHYNF-SFHVURJKSA-N 1 3 289.467 2.755 10 0 CFAEHO CCC[NH2+][C@@H](CCC)CN1CCN([C@H](C)CC)CC1 ZINC000055065020 519992872 /nfs/dbraw/zinc/99/28/72/519992872.db2.gz CHVOLQAESPCSFC-CVEARBPZSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCC[N@H+](CC1(CNC)CCOCC1)[C@H](C)CC ZINC000052198192 520483046 /nfs/dbraw/zinc/48/30/46/520483046.db2.gz LNJUKQDPFHOFPG-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[N@@H+](CC1(CNC)CCOCC1)[C@H](C)CC ZINC000052198192 520483051 /nfs/dbraw/zinc/48/30/51/520483051.db2.gz LNJUKQDPFHOFPG-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[C@@](CC)(CN)[N@H+](CCC)CCN(C)C ZINC000069380637 521120374 /nfs/dbraw/zinc/12/03/74/521120374.db2.gz KQGCEQSPALXOCP-HNNXBMFYSA-N 1 3 257.466 2.558 10 0 CFAEHO CCCC[C@@](CC)(CN)[N@@H+](CCC)CCN(C)C ZINC000069380637 521120380 /nfs/dbraw/zinc/12/03/80/521120380.db2.gz KQGCEQSPALXOCP-HNNXBMFYSA-N 1 3 257.466 2.558 10 0 CFAEHO CCCN(CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181215 521605518 /nfs/dbraw/zinc/60/55/18/521605518.db2.gz BDBLPVUAQNVBRZ-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC[N@H+](CC1(CNC(C)C)CCOCC1)C(C)C ZINC000052181409 521618332 /nfs/dbraw/zinc/61/83/32/521618332.db2.gz OORQKNJIMUGEGU-UHFFFAOYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC[N@@H+](CC1(CNC(C)C)CCOCC1)C(C)C ZINC000052181409 521618338 /nfs/dbraw/zinc/61/83/38/521618338.db2.gz OORQKNJIMUGEGU-UHFFFAOYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCc1cccc2c(CN3CC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000050245473 521793954 /nfs/dbraw/zinc/79/39/54/521793954.db2.gz MUYIUHNENBKVKY-LBPRGKRZSA-N 1 3 257.381 2.511 10 0 CFAEHO CNCC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182765 521970340 /nfs/dbraw/zinc/97/03/40/521970340.db2.gz FJFNFTDWDKTOQS-MRXNPFEDSA-N 1 3 280.456 2.657 10 0 CFAEHO CNCC1(C[N@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182765 521970348 /nfs/dbraw/zinc/97/03/48/521970348.db2.gz FJFNFTDWDKTOQS-MRXNPFEDSA-N 1 3 280.456 2.657 10 0 CFAEHO C[NH2+]C[C@@H](O[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000061702384 522037727 /nfs/dbraw/zinc/03/77/27/522037727.db2.gz BGHBRXWFFQSDBK-IAGOWNOFSA-N 1 3 276.424 2.522 10 0 CFAEHO CC[C@@H]1CO[C@H](C)CN1CCCCC[NH2+]CC(C)C ZINC000052571157 523514555 /nfs/dbraw/zinc/51/45/55/523514555.db2.gz YRRWJCYLAONMKR-HZPDHXFCSA-N 1 3 270.461 2.902 10 0 CFAEHO CN1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000361886466 523781624 /nfs/dbraw/zinc/78/16/24/523781624.db2.gz LCJGPBNSOUBXAL-CABCVRRESA-N 1 3 282.472 2.638 10 0 CFAEHO CC[C@H](C)N(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181184 523914564 /nfs/dbraw/zinc/91/45/64/523914564.db2.gz DUBTZHUVHWLVQO-AWEZNQCLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@H](C)[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181184 523914567 /nfs/dbraw/zinc/91/45/67/523914567.db2.gz DUBTZHUVHWLVQO-AWEZNQCLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@H](C)[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181184 523914572 /nfs/dbraw/zinc/91/45/72/523914572.db2.gz DUBTZHUVHWLVQO-AWEZNQCLSA-N 1 3 256.434 2.512 10 0 CFAEHO C[C@H](CCC[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443474 524141123 /nfs/dbraw/zinc/14/11/23/524141123.db2.gz MLYYDFXVVHCGEI-CYBMUJFWSA-N 1 3 281.831 2.589 10 0 CFAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000061815912 524351599 /nfs/dbraw/zinc/35/15/99/524351599.db2.gz VLGAAEKUGDKYML-GJZGRUSLSA-N 1 3 262.397 2.515 10 0 CFAEHO C[C@@H](CN1CCCCC1)N1Cc2ccccc2C1=[NH2+] ZINC000049501996 524603379 /nfs/dbraw/zinc/60/33/79/524603379.db2.gz QVKNGNOXMWBHOL-ZDUSSCGKSA-N 1 3 257.381 2.702 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@H]1CCCC[N@@H+]1C ZINC000052205748 524747337 /nfs/dbraw/zinc/74/73/37/524747337.db2.gz GMAMQFCKSDJHQZ-ZIAGYGMSSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@H]1CCCC[N@H+]1C ZINC000052205748 524747348 /nfs/dbraw/zinc/74/73/48/524747348.db2.gz GMAMQFCKSDJHQZ-ZIAGYGMSSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@@H](Cc1ccco1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205743 524927153 /nfs/dbraw/zinc/92/71/53/524927153.db2.gz GMAMQFCKSDJHQZ-KBPBESRZSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@@H](Cc1ccco1)NCC[C@@H]1CCCC[N@H+]1C ZINC000052205743 524927167 /nfs/dbraw/zinc/92/71/67/524927167.db2.gz GMAMQFCKSDJHQZ-KBPBESRZSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@@H]([NH3+])c1ccc(F)cc1OCCN1CCCCC1 ZINC000062745361 525026283 /nfs/dbraw/zinc/02/62/83/525026283.db2.gz DEGQPYRWVAIGJC-GFCCVEGCSA-N 1 3 266.360 2.710 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1ccccc1CN ZINC000050563667 525639803 /nfs/dbraw/zinc/63/98/03/525639803.db2.gz COPDTEAFGUSDSU-UONOGXRCSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1CN ZINC000050563667 525639810 /nfs/dbraw/zinc/63/98/10/525639810.db2.gz COPDTEAFGUSDSU-UONOGXRCSA-N 1 3 289.423 2.594 10 0 CFAEHO [NH3+]Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000061702143 527257742 /nfs/dbraw/zinc/25/77/42/527257742.db2.gz POOUNTKKFBBTNS-GOSISDBHSA-N 1 3 282.387 2.799 10 0 CFAEHO Cc1nc([C@H](C)N[C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442007 574355268 /nfs/dbraw/zinc/35/52/68/574355268.db2.gz AAGFDMJTAFJNGQ-MNOVXSKESA-N 1 3 267.442 2.832 10 0 CFAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1CCC ZINC000082428819 178005151 /nfs/dbraw/zinc/00/51/51/178005151.db2.gz IKGNCVDDJVFUHF-UHFFFAOYSA-N 1 3 269.458 2.699 10 0 CFAEHO CCCc1nc(CCN(C)C)sc1C[NH2+]C(C)C ZINC000082428818 178005495 /nfs/dbraw/zinc/00/54/95/178005495.db2.gz YMRIQOVMFXSJTR-UHFFFAOYSA-N 1 3 269.458 2.698 10 0 CFAEHO CC(C)NCc1ccccc1OCCC[NH+](C)C ZINC000083383757 178387257 /nfs/dbraw/zinc/38/72/57/178387257.db2.gz PGOTYJVXJINTQO-UHFFFAOYSA-N 1 3 250.386 2.515 10 0 CFAEHO CCN[C@@](C)(CO)C[C@@H](C)[NH+]1CCC(C)(CC)CC1 ZINC000085212835 178976718 /nfs/dbraw/zinc/97/67/18/178976718.db2.gz JWBIAYJPOTXSQB-GDBMZVCRSA-N 1 3 270.461 2.638 10 0 CFAEHO CC[NH2+][C@@](C)(CO)C[C@@H](C)N1CCC(C)(CC)CC1 ZINC000085212835 178976721 /nfs/dbraw/zinc/97/67/21/178976721.db2.gz JWBIAYJPOTXSQB-GDBMZVCRSA-N 1 3 270.461 2.638 10 0 CFAEHO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086818245 179346983 /nfs/dbraw/zinc/34/69/83/179346983.db2.gz ZFBVLAAVUQDTLV-GXTWGEPZSA-N 1 3 280.387 2.969 10 0 CFAEHO CCN1CCC[C@H]([NH2+]CCc2cccc(F)c2)CC1 ZINC000086837485 179351125 /nfs/dbraw/zinc/35/11/25/179351125.db2.gz VFYLOSYJTHRZJA-INIZCTEOSA-N 1 3 264.388 2.832 10 0 CFAEHO CC[N@@H+]1CCC[C@H](NCCc2cccc(F)c2)CC1 ZINC000086837485 179351127 /nfs/dbraw/zinc/35/11/27/179351127.db2.gz VFYLOSYJTHRZJA-INIZCTEOSA-N 1 3 264.388 2.832 10 0 CFAEHO CC[N@H+]1CCC[C@H](NCCc2cccc(F)c2)CC1 ZINC000086837485 179351130 /nfs/dbraw/zinc/35/11/30/179351130.db2.gz VFYLOSYJTHRZJA-INIZCTEOSA-N 1 3 264.388 2.832 10 0 CFAEHO CC(C)[NH2+]C[C@H](CN)Cc1cccc2ccccc21 ZINC000725269341 539626532 /nfs/dbraw/zinc/62/65/32/539626532.db2.gz RWZWITADZHKMKB-AWEZNQCLSA-N 1 3 256.393 2.955 10 0 CFAEHO [NH3+]CCNc1c2ccccc2nc2c1CCCCCC2 ZINC000584904559 348733538 /nfs/dbraw/zinc/73/35/38/348733538.db2.gz VOTINOKVHAZSRC-UHFFFAOYSA-N 1 3 269.392 2.686 10 0 CFAEHO c1cnc2c(c1)cccc2CCN[C@@H]1CCC[NH2+]CC1 ZINC000133895432 187713627 /nfs/dbraw/zinc/71/36/27/187713627.db2.gz FDEHTDAMWMGFIY-MRXNPFEDSA-N 1 3 269.392 2.509 10 0 CFAEHO c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCCNCC1 ZINC000133895432 187713629 /nfs/dbraw/zinc/71/36/29/187713629.db2.gz FDEHTDAMWMGFIY-MRXNPFEDSA-N 1 3 269.392 2.509 10 0 CFAEHO [NH3+][C@H]1CCCCCN(c2ccnc3ccccc32)C1 ZINC000630548825 355108834 /nfs/dbraw/zinc/10/88/34/355108834.db2.gz GOKVBHYBSSRBOM-ZDUSSCGKSA-N 1 3 255.365 2.943 10 0 CFAEHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837835 355601504 /nfs/dbraw/zinc/60/15/04/355601504.db2.gz GAPXNTPPUIIBIW-MFKMUULPSA-N 1 3 254.324 2.651 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631839533 355602375 /nfs/dbraw/zinc/60/23/75/355602375.db2.gz HIKIXPAIEJAFCC-ZFWWWQNUSA-N 1 3 262.397 2.500 10 0 CFAEHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1OC ZINC000180892204 189282031 /nfs/dbraw/zinc/28/20/31/189282031.db2.gz PJRAOTUMQZWAHZ-UKRRQHHQSA-N 1 3 292.423 2.839 10 0 CFAEHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000336528009 380417454 /nfs/dbraw/zinc/41/74/54/380417454.db2.gz ZIAWBGZPNOFHNJ-WMZOPIPTSA-N 1 3 293.499 2.665 10 0 CFAEHO C[C@H](NCCCn1ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400432517 380858530 /nfs/dbraw/zinc/85/85/30/380858530.db2.gz LMQRWRGWYXBPNL-HOCLYGCPSA-N 1 3 271.408 2.619 10 0 CFAEHO N[C@@H](CCCC[NH3+])c1c(F)cc(Br)cc1F ZINC000575438574 382771123 /nfs/dbraw/zinc/77/11/23/382771123.db2.gz KWLJDJZLSTWLSO-JTQLQIEISA-N 1 3 293.155 2.856 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249414484 383344494 /nfs/dbraw/zinc/34/44/94/383344494.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 1 3 282.472 2.734 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249414484 383344499 /nfs/dbraw/zinc/34/44/99/383344499.db2.gz VUMNEGCRAFZASS-ZACQAIPSSA-N 1 3 282.472 2.734 10 0 CFAEHO CCCOc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998181 383452969 /nfs/dbraw/zinc/45/29/69/383452969.db2.gz BUSMMPHWWXGIJS-ZFWWWQNUSA-N 1 3 262.397 2.502 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624314 383531592 /nfs/dbraw/zinc/53/15/92/383531592.db2.gz VCLIHZFMZQPKPM-XLNGHYISSA-N 1 3 256.393 2.733 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624314 383531596 /nfs/dbraw/zinc/53/15/96/383531596.db2.gz VCLIHZFMZQPKPM-XLNGHYISSA-N 1 3 256.393 2.733 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643458017 384639698 /nfs/dbraw/zinc/63/96/98/384639698.db2.gz NFCPROKXTBFZQA-BFYDXBDKSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643458017 384639711 /nfs/dbraw/zinc/63/97/11/384639711.db2.gz NFCPROKXTBFZQA-BFYDXBDKSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@H]1CCCNC1 ZINC000643460669 384642816 /nfs/dbraw/zinc/64/28/16/384642816.db2.gz AXEXCSTWAPAPPC-CABCVRRESA-N 1 3 260.425 2.942 10 0 CFAEHO Brc1cccc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000313718805 393523241 /nfs/dbraw/zinc/52/32/41/393523241.db2.gz OXJNCJAXMFJXPW-AWEZNQCLSA-N 1 3 297.240 2.723 10 0 CFAEHO Brc1cccc(CC[NH2+][C@H]2CCCNCC2)c1 ZINC000313718805 393523244 /nfs/dbraw/zinc/52/32/44/393523244.db2.gz OXJNCJAXMFJXPW-AWEZNQCLSA-N 1 3 297.240 2.723 10 0 CFAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381576503 393564726 /nfs/dbraw/zinc/56/47/26/393564726.db2.gz IQVUQDPNRRFWRO-XQQFMLRXSA-N 1 3 260.372 2.871 10 0 CFAEHO NCc1cc(F)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694279 134868257 /nfs/dbraw/zinc/86/82/57/134868257.db2.gz LBIGROLJCVJQEE-UHFFFAOYSA-N 1 3 291.414 2.739 10 0 CFAEHO C[C@H]1C[NH2+]C[C@@H](NC2CCC(C(F)(F)F)CC2)C1 ZINC000401785854 413171047 /nfs/dbraw/zinc/17/10/47/413171047.db2.gz ZQEOMCPQBMCPLS-YYJSSNLHSA-N 1 3 264.335 2.695 10 0 CFAEHO CN1CCN(c2ccccc2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000020075839 170984370 /nfs/dbraw/zinc/98/43/70/170984370.db2.gz WWTDIVUKTYUATR-GOSISDBHSA-N 1 3 281.403 2.638 10 0 CFAEHO CC[NH2+]Cc1ccccc1OCCN1CCCCC1 ZINC000032026484 171687505 /nfs/dbraw/zinc/68/75/05/171687505.db2.gz LAAJUWPPDVHMJF-UHFFFAOYSA-N 1 3 262.397 2.661 10 0 CFAEHO C[N@@H+](Cc1cccs1)C[C@@H](CN)c1ccccc1 ZINC000035731491 172381536 /nfs/dbraw/zinc/38/15/36/172381536.db2.gz QGGFWPYNELESHM-CQSZACIVSA-N 1 3 260.406 2.922 10 0 CFAEHO C[N@H+](Cc1cccs1)C[C@@H](CN)c1ccccc1 ZINC000035731491 172381538 /nfs/dbraw/zinc/38/15/38/172381538.db2.gz QGGFWPYNELESHM-CQSZACIVSA-N 1 3 260.406 2.922 10 0 CFAEHO C[N@@H+](Cc1cccs1)C[C@H](CN)c1ccccc1 ZINC000035731492 172381814 /nfs/dbraw/zinc/38/18/14/172381814.db2.gz QGGFWPYNELESHM-AWEZNQCLSA-N 1 3 260.406 2.922 10 0 CFAEHO C[N@H+](Cc1cccs1)C[C@H](CN)c1ccccc1 ZINC000035731492 172381815 /nfs/dbraw/zinc/38/18/15/172381815.db2.gz QGGFWPYNELESHM-AWEZNQCLSA-N 1 3 260.406 2.922 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]Cc2cccs2)C1 ZINC000037221151 173040442 /nfs/dbraw/zinc/04/04/42/173040442.db2.gz CFTDONRFUZADAJ-OLZOCXBDSA-N 1 3 252.427 2.958 10 0 CFAEHO C[NH2+]C[C@@H]1CCCN(Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593395 174347667 /nfs/dbraw/zinc/34/76/67/174347667.db2.gz RVZOWRGSBZGWTD-AWEZNQCLSA-N 1 3 271.408 2.908 10 0 CFAEHO CCN(CCc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748138 174393090 /nfs/dbraw/zinc/39/30/90/174393090.db2.gz ZSNZKTKTXKCITC-SJPCQFCGSA-N 1 3 288.435 2.843 10 0 CFAEHO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCN(C)C)CC(C)C ZINC000043365383 175026156 /nfs/dbraw/zinc/02/61/56/175026156.db2.gz AWBACATXOPGWDC-WBVHZDCISA-N 1 3 295.471 2.886 10 0 CFAEHO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCN(C)C)CC(C)C ZINC000043365382 175026549 /nfs/dbraw/zinc/02/65/49/175026549.db2.gz AWBACATXOPGWDC-RDJZCZTQSA-N 1 3 295.471 2.886 10 0 CFAEHO CC(C)CN(CCCc1ccccc1)CCC(N)=[NH2+] ZINC000043422996 175039306 /nfs/dbraw/zinc/03/93/06/175039306.db2.gz WMFNSLQPFZGNST-UHFFFAOYSA-N 1 3 261.413 2.903 10 0 CFAEHO C[C@@H](C[C@@H](CN)[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534556 175062673 /nfs/dbraw/zinc/06/26/73/175062673.db2.gz RALPOHMFIZQUJD-YJBOKZPZSA-N 1 3 289.467 2.534 10 0 CFAEHO C[C@@H](C[C@@H](CN)[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534556 175062675 /nfs/dbraw/zinc/06/26/75/175062675.db2.gz RALPOHMFIZQUJD-YJBOKZPZSA-N 1 3 289.467 2.534 10 0 CFAEHO CN(CCC[C@@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591878 175073757 /nfs/dbraw/zinc/07/37/57/175073757.db2.gz PVZFYSCXOQYMTK-ZDUSSCGKSA-N 1 3 252.427 2.960 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCN(CCC)CC1 ZINC000043805657 175107900 /nfs/dbraw/zinc/10/79/00/175107900.db2.gz FGQISNUTRYRHEB-IAGOWNOFSA-N 1 3 283.504 2.961 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815410 175112256 /nfs/dbraw/zinc/11/22/56/175112256.db2.gz QOXMTMQDNDIFKM-SJORKVTESA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1cc(C)ccc1C ZINC000043818401 175112748 /nfs/dbraw/zinc/11/27/48/175112748.db2.gz BKVVARVTBTXTFQ-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)cc1C ZINC000043818399 175112838 /nfs/dbraw/zinc/11/28/38/175112838.db2.gz XDMKZEGDLGSJAJ-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCCN(C)CC2)cc1 ZINC000043818263 175112964 /nfs/dbraw/zinc/11/29/64/175112964.db2.gz NCKUOYTWEXJKFW-MAUKXSAKSA-N 1 3 289.467 2.536 10 0 CFAEHO CCN(Cc1cc([C@@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821576 175114370 /nfs/dbraw/zinc/11/43/70/175114370.db2.gz RVOMFDSKKNZSGW-GFCCVEGCSA-N 1 3 262.397 2.960 10 0 CFAEHO CCC[C@H]([NH2+]C)[C@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965515 175127304 /nfs/dbraw/zinc/12/73/04/175127304.db2.gz TZUPEEUXIWZWCI-GJZGRUSLSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@H]1CCCCC[C@H]1N(CCN(C)C)CC(C)C ZINC000043982194 175134128 /nfs/dbraw/zinc/13/41/28/175134128.db2.gz NZZXZFPQGILEQN-DLBZAZTESA-N 1 3 283.504 2.817 10 0 CFAEHO O[C@@H]1CCCCC[C@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162299 175147297 /nfs/dbraw/zinc/14/72/97/175147297.db2.gz SLEIYQBAVQAUOF-IAGOWNOFSA-N 1 3 280.456 2.630 10 0 CFAEHO [NH3+]C[C@H]1CCCN([C@H](c2cccs2)C2CC2)C1 ZINC000044528084 175192517 /nfs/dbraw/zinc/19/25/17/175192517.db2.gz DIVCPDQHYCTOMJ-RISCZKNCSA-N 1 3 250.411 2.870 10 0 CFAEHO NC[C@H]1CCC[N@@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000044528084 175192518 /nfs/dbraw/zinc/19/25/18/175192518.db2.gz DIVCPDQHYCTOMJ-RISCZKNCSA-N 1 3 250.411 2.870 10 0 CFAEHO NC[C@H]1CCC[N@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000044528084 175192519 /nfs/dbraw/zinc/19/25/19/175192519.db2.gz DIVCPDQHYCTOMJ-RISCZKNCSA-N 1 3 250.411 2.870 10 0 CFAEHO CC(C)c1ccc([C@H](O)CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044536503 175199117 /nfs/dbraw/zinc/19/91/17/175199117.db2.gz QSNQYEUHNKJOPL-MAUKXSAKSA-N 1 3 290.451 2.775 10 0 CFAEHO CC(C)c1ccc([C@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044536503 175199119 /nfs/dbraw/zinc/19/91/19/175199119.db2.gz QSNQYEUHNKJOPL-MAUKXSAKSA-N 1 3 290.451 2.775 10 0 CFAEHO C[C@@H]1C[NH2+][C@H](C)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660203 175226203 /nfs/dbraw/zinc/22/62/03/175226203.db2.gz TXNXWEURABEIBW-MUIFIZLQSA-N 1 3 258.409 2.862 10 0 CFAEHO N[C@H](c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000071616035 176234847 /nfs/dbraw/zinc/23/48/47/176234847.db2.gz VCJMLDZVJKVBSH-JTQLQIEISA-N 1 3 275.215 2.510 10 0 CFAEHO N[C@@H](c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000071616034 176235133 /nfs/dbraw/zinc/23/51/33/176235133.db2.gz VCJMLDZVJKVBSH-SNVBAGLBSA-N 1 3 275.215 2.510 10 0 CFAEHO CC1(C)CCN(Cc2ccccc2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000076697693 177060763 /nfs/dbraw/zinc/06/07/63/177060763.db2.gz WEOUOCZEZPJAKT-HOTGVXAUSA-N 1 3 258.409 2.897 10 0 CFAEHO CC1(C)CC[N@H+](Cc2ccccc2)[C@H]2CCNC[C@@H]21 ZINC000076697693 177060764 /nfs/dbraw/zinc/06/07/64/177060764.db2.gz WEOUOCZEZPJAKT-HOTGVXAUSA-N 1 3 258.409 2.897 10 0 CFAEHO CC1(C)CC[N@@H+](Cc2ccccc2)[C@H]2CCNC[C@@H]21 ZINC000076697693 177060765 /nfs/dbraw/zinc/06/07/65/177060765.db2.gz WEOUOCZEZPJAKT-HOTGVXAUSA-N 1 3 258.409 2.897 10 0 CFAEHO CC(C)(CC[NH3+])NCc1ccc(Br)cc1 ZINC000258876164 270274990 /nfs/dbraw/zinc/27/49/90/270274990.db2.gz POTGLSNIWVBWDC-UHFFFAOYSA-N 1 3 271.202 2.666 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311154 281291137 /nfs/dbraw/zinc/29/11/37/281291137.db2.gz DUHMTXYTFCHRNE-IRXDYDNUSA-N 1 3 282.472 2.735 10 0 CFAEHO Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000560966645 282044718 /nfs/dbraw/zinc/04/47/18/282044718.db2.gz CLWMFGYZAIJRLQ-UKRRQHHQSA-N 1 3 264.388 2.654 10 0 CFAEHO Cc1cc(F)ccc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560966645 282044719 /nfs/dbraw/zinc/04/47/19/282044719.db2.gz CLWMFGYZAIJRLQ-UKRRQHHQSA-N 1 3 264.388 2.654 10 0 CFAEHO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCNC1 ZINC000575859732 322732042 /nfs/dbraw/zinc/73/20/42/322732042.db2.gz DLSATJIWAZYTOQ-AAEUAGOBSA-N 1 3 260.372 2.790 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000580999306 325081377 /nfs/dbraw/zinc/08/13/77/325081377.db2.gz NRMRPMVGIPGNKQ-QWRGUYRKSA-N 1 3 272.845 2.922 10 0 CFAEHO CCCNCC1(C[NH+](CCC)CCC)CCOCC1 ZINC000052180904 519909310 /nfs/dbraw/zinc/90/93/10/519909310.db2.gz NFFUSORDWSSRAF-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCC[NH2+]CC1(CN(CCC)CCC)CCOCC1 ZINC000052180904 519909315 /nfs/dbraw/zinc/90/93/15/519909315.db2.gz NFFUSORDWSSRAF-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@@H](C)CC)CCOCC1 ZINC000052181178 519910135 /nfs/dbraw/zinc/91/01/35/519910135.db2.gz JGXJSEDMMZSDHD-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182066 519910936 /nfs/dbraw/zinc/91/09/36/519910936.db2.gz FKYYBVOETUKJRK-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182066 519910942 /nfs/dbraw/zinc/91/09/42/519910942.db2.gz FKYYBVOETUKJRK-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182066 519910945 /nfs/dbraw/zinc/91/09/45/519910945.db2.gz FKYYBVOETUKJRK-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197812 519912511 /nfs/dbraw/zinc/91/25/11/519912511.db2.gz SSLDLDXLXRXLCB-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197812 519912515 /nfs/dbraw/zinc/91/25/15/519912515.db2.gz SSLDLDXLXRXLCB-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)C[C@H]1CSC(N[C@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502363 519417107 /nfs/dbraw/zinc/41/71/07/519417107.db2.gz FQIBQBRLBSLWKF-KGLIPLIRSA-N 1 3 283.485 2.968 10 0 CFAEHO CC(C)C[C@@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197677 519772653 /nfs/dbraw/zinc/77/26/53/519772653.db2.gz WDSHZUOAYCYPMP-OAHLLOKOSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[C@@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197677 519772654 /nfs/dbraw/zinc/77/26/54/519772654.db2.gz WDSHZUOAYCYPMP-OAHLLOKOSA-N 1 3 282.472 2.902 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181737 519910002 /nfs/dbraw/zinc/91/00/02/519910002.db2.gz YZEOVXKIVNPTQY-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181737 519910007 /nfs/dbraw/zinc/91/00/07/519910007.db2.gz YZEOVXKIVNPTQY-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181737 519910009 /nfs/dbraw/zinc/91/00/09/519910009.db2.gz YZEOVXKIVNPTQY-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197663 519912811 /nfs/dbraw/zinc/91/28/11/519912811.db2.gz ZIMZSKJPUDOISM-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197663 519912812 /nfs/dbraw/zinc/91/28/12/519912812.db2.gz ZIMZSKJPUDOISM-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[NH2+]CC1(CN(C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197663 519912815 /nfs/dbraw/zinc/91/28/15/519912815.db2.gz ZIMZSKJPUDOISM-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]C[C@@](C)(CCC)CN1CCC(OC)CC1 ZINC000051216220 519929974 /nfs/dbraw/zinc/92/99/74/519929974.db2.gz LQOMNGKUAOFDEZ-MRXNPFEDSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]Cc1cccc(CN(C)[C@H](C)COC)c1 ZINC000052511409 519954922 /nfs/dbraw/zinc/95/49/22/519954922.db2.gz MSUHZDNMPBAFAO-CQSZACIVSA-N 1 3 264.413 2.653 10 0 CFAEHO CCC[NH2+]Cc1ccccc1CN1CCN(CCC)CC1 ZINC000052422079 519956093 /nfs/dbraw/zinc/95/60/93/519956093.db2.gz MUOOCPSXELINJL-UHFFFAOYSA-N 1 3 289.467 2.714 10 0 CFAEHO CCC[NH2+]Cc1ccoc1CN1CCCSCC1 ZINC000052371029 519959447 /nfs/dbraw/zinc/95/94/47/519959447.db2.gz MQUHROJEJBXXIC-UHFFFAOYSA-N 1 3 268.426 2.718 10 0 CFAEHO CC[NH2+]Cc1ccccc1CN(C)[C@@H]1CCSC1 ZINC000052453644 520006472 /nfs/dbraw/zinc/00/64/72/520006472.db2.gz JIAFABPNPMJMNE-OAHLLOKOSA-N 1 3 264.438 2.733 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000052381357 520009374 /nfs/dbraw/zinc/00/93/74/520009374.db2.gz RCRBFWTVDVPXDL-HNNXBMFYSA-N 1 3 276.424 2.907 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+]1CCC[C@H](C)C1 ZINC000052381357 520009381 /nfs/dbraw/zinc/00/93/81/520009381.db2.gz RCRBFWTVDVPXDL-HNNXBMFYSA-N 1 3 276.424 2.907 10 0 CFAEHO CCC[C@@](C)(C[NH2+]C(C)C)CN(C)CCCOC ZINC000062035277 520908433 /nfs/dbraw/zinc/90/84/33/520908433.db2.gz FQCNKWAQAPVJMT-HNNXBMFYSA-N 1 3 258.450 2.759 10 0 CFAEHO CCN(CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000069239990 520957175 /nfs/dbraw/zinc/95/71/75/520957175.db2.gz KWWPFRWLWPAESL-QGZVFWFLSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@]1(CNC(C)(C)C)CCCOC1 ZINC000069239990 520957181 /nfs/dbraw/zinc/95/71/81/520957181.db2.gz KWWPFRWLWPAESL-QGZVFWFLSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@]1(CNC(C)(C)C)CCCOC1 ZINC000069239990 520957186 /nfs/dbraw/zinc/95/71/86/520957186.db2.gz KWWPFRWLWPAESL-QGZVFWFLSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@@](C)(CNC)c1ccccc1 ZINC000069239876 520957796 /nfs/dbraw/zinc/95/77/96/520957796.db2.gz YWSCKIAKUYAFIC-QGZVFWFLSA-N 1 3 260.425 2.896 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@@](C)(CNC)c1ccccc1 ZINC000069239876 520957800 /nfs/dbraw/zinc/95/78/00/520957800.db2.gz YWSCKIAKUYAFIC-QGZVFWFLSA-N 1 3 260.425 2.896 10 0 CFAEHO CCN(CC1CC1)C[C@@](C)(C[NH2+]C)c1ccccc1 ZINC000069239876 520957803 /nfs/dbraw/zinc/95/78/03/520957803.db2.gz YWSCKIAKUYAFIC-QGZVFWFLSA-N 1 3 260.425 2.896 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCC[C@H](OCC)C1 ZINC000069380391 521252851 /nfs/dbraw/zinc/25/28/51/521252851.db2.gz WVXNTRNZFSXJHR-LSDHHAIUSA-N 1 3 256.434 2.785 10 0 CFAEHO CCN1CCN(Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052422294 521688911 /nfs/dbraw/zinc/68/89/11/521688911.db2.gz NQZRNDZGYMUPFW-UHFFFAOYSA-N 1 3 289.467 2.712 10 0 CFAEHO CNCC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182011 521968885 /nfs/dbraw/zinc/96/88/85/521968885.db2.gz YGVZVJHNCRRQJQ-CVEARBPZSA-N 1 3 280.456 2.657 10 0 CFAEHO CNCC1(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182011 521968887 /nfs/dbraw/zinc/96/88/87/521968887.db2.gz YGVZVJHNCRRQJQ-CVEARBPZSA-N 1 3 280.456 2.657 10 0 CFAEHO C[NH2+]CC1(CN(Cc2ccccc2)C(C)C)CCOCC1 ZINC000052180947 521969847 /nfs/dbraw/zinc/96/98/47/521969847.db2.gz YOBMUZZRDKZIJB-UHFFFAOYSA-N 1 3 290.451 2.913 10 0 CFAEHO CC[C@@H](C)[N@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181384 522083087 /nfs/dbraw/zinc/08/30/87/522083087.db2.gz BCDGJZVWMATTNH-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@@H](C)[N@@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181384 522083098 /nfs/dbraw/zinc/08/30/98/522083098.db2.gz BCDGJZVWMATTNH-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@H](CC[NH3+])N1CCN(Cc2cc(C)ccc2C)CC1 ZINC000049256679 522127522 /nfs/dbraw/zinc/12/75/22/522127522.db2.gz DRZJZCYXAFQYIG-GOSISDBHSA-N 1 3 289.467 2.548 10 0 CFAEHO CC[C@@H](C[NH2+]C(C)(C)C)N(CCN(C)C)CC(C)C ZINC000052503284 522543587 /nfs/dbraw/zinc/54/35/87/522543587.db2.gz OCYDWHAPVXEQPF-HNNXBMFYSA-N 1 3 271.493 2.673 10 0 CFAEHO C[N@H+](CC(C)(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052197545 522547690 /nfs/dbraw/zinc/54/76/90/522547690.db2.gz UNJFCRNDSDWHGP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO C[N@@H+](CC(C)(C)C)CC1(CNC2CC2)CCOCC1 ZINC000052197545 522547698 /nfs/dbraw/zinc/54/76/98/522547698.db2.gz UNJFCRNDSDWHGP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CN(CC(C)(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197545 522547708 /nfs/dbraw/zinc/54/77/08/522547708.db2.gz UNJFCRNDSDWHGP-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@H]1CCC[N@H+](Cc2cc(CNC)c(C)o2)C1 ZINC000052479690 523091343 /nfs/dbraw/zinc/09/13/43/523091343.db2.gz QXSQNWZMASPSCL-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@H]1CCC[N@@H+](Cc2cc(CNC)c(C)o2)C1 ZINC000052479690 523091346 /nfs/dbraw/zinc/09/13/46/523091346.db2.gz QXSQNWZMASPSCL-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@H](C)[N@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181389 523933827 /nfs/dbraw/zinc/93/38/27/523933827.db2.gz YGOBMUMDNJDKKG-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@H](C)[N@@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181389 523933829 /nfs/dbraw/zinc/93/38/29/523933829.db2.gz YGOBMUMDNJDKKG-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO C[C@H]1CCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182197 524288032 /nfs/dbraw/zinc/28/80/32/524288032.db2.gz VSILNEAGAMXRTG-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCN(C)C)c(C)n1 ZINC000049554291 524331171 /nfs/dbraw/zinc/33/11/71/524331171.db2.gz IEJHUIULAXJYMA-TZMCWYRMSA-N 1 3 263.429 2.998 10 0 CFAEHO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c(C)n1 ZINC000049554289 524331381 /nfs/dbraw/zinc/33/13/81/524331381.db2.gz IEJHUIULAXJYMA-GXTWGEPZSA-N 1 3 263.429 2.998 10 0 CFAEHO Cc1ccc(CN(C)CCC[C@@H]2CCCC[NH2+]2)o1 ZINC000050952630 524392160 /nfs/dbraw/zinc/39/21/60/524392160.db2.gz JHLIAGRZPANCEB-AWEZNQCLSA-N 1 3 250.386 2.942 10 0 CFAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000052380703 524457318 /nfs/dbraw/zinc/45/73/18/524457318.db2.gz KHHAAOZEWNMNMM-IHRRRGAJSA-N 1 3 256.434 2.652 10 0 CFAEHO C[C@H]1CN(CCCCC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380749 524590268 /nfs/dbraw/zinc/59/02/68/524590268.db2.gz XRYWXYKXQFCXKX-KBPBESRZSA-N 1 3 256.434 2.654 10 0 CFAEHO C[C@H]([NH3+])[C@H]1CCCCN1c1ccnc2ccccc21 ZINC000063196526 524857403 /nfs/dbraw/zinc/85/74/03/524857403.db2.gz PWFVGKRXTOPLLV-SWLSCSKDSA-N 1 3 255.365 2.941 10 0 CFAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000050578882 525007699 /nfs/dbraw/zinc/00/76/99/525007699.db2.gz OEZKIBNLFACWNI-INIZCTEOSA-N 1 3 293.430 2.550 10 0 CFAEHO C[C@@H]([NH3+])c1ccc(OC2CCN(C)CC2)c(Cl)c1 ZINC000061699686 525027987 /nfs/dbraw/zinc/02/79/87/525027987.db2.gz ZSYAVPLGGRULDS-SNVBAGLBSA-N 1 3 268.788 2.833 10 0 CFAEHO C[C@@H]1C[C@@H](C)C[NH+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180563 525208848 /nfs/dbraw/zinc/20/88/48/525208848.db2.gz QKRFYLZIPWMPMY-HUUCEWRRSA-N 1 3 280.456 2.513 10 0 CFAEHO Cc1n[nH]cc1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491346 525498926 /nfs/dbraw/zinc/49/89/26/525498926.db2.gz MFJSYDQAUJHXBF-YESZJQIVSA-N 1 3 290.455 2.551 10 0 CFAEHO NCCC[N@H+](CCCOCC(F)(F)F)C1CCCCC1 ZINC000049312081 527178555 /nfs/dbraw/zinc/17/85/55/527178555.db2.gz JEVAYPUMMFQVRC-UHFFFAOYSA-N 1 3 296.377 2.939 10 0 CFAEHO NCCC[N@@H+](CCCOCC(F)(F)F)C1CCCCC1 ZINC000049312081 527178557 /nfs/dbraw/zinc/17/85/57/527178557.db2.gz JEVAYPUMMFQVRC-UHFFFAOYSA-N 1 3 296.377 2.939 10 0 CFAEHO C[C@H]([NH3+])C1CCN(c2ccnc3ccccc32)CC1 ZINC000111612492 635116080 /nfs/dbraw/zinc/11/60/80/635116080.db2.gz FSLFZVFYURABFR-LBPRGKRZSA-N 1 3 255.365 2.798 10 0 CFAEHO C[N@H+](CCCN[C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000226226519 539446598 /nfs/dbraw/zinc/44/65/98/539446598.db2.gz BHTJLPDSXZFBLP-HZPDHXFCSA-N 1 3 268.445 2.534 10 0 CFAEHO C[N@@H+](CCCN[C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000226226519 539446604 /nfs/dbraw/zinc/44/66/04/539446604.db2.gz BHTJLPDSXZFBLP-HZPDHXFCSA-N 1 3 268.445 2.534 10 0 CFAEHO CN(CCC[NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000226226519 539446610 /nfs/dbraw/zinc/44/66/10/539446610.db2.gz BHTJLPDSXZFBLP-HZPDHXFCSA-N 1 3 268.445 2.534 10 0 CFAEHO [NH3+]CCCCN1CCN(c2cccc3ccccc32)CC1 ZINC000038242223 346337627 /nfs/dbraw/zinc/33/76/27/346337627.db2.gz IZXGUTPRNKITPR-UHFFFAOYSA-N 1 3 283.419 2.701 10 0 CFAEHO CCN1CCC[C@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086847300 179356098 /nfs/dbraw/zinc/35/60/98/179356098.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086847300 179356100 /nfs/dbraw/zinc/35/61/00/179356100.db2.gz QLAVZUQGYMKLJP-KRWDZBQOSA-N 1 3 281.488 2.844 10 0 CFAEHO CC(C)N1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848920 179357603 /nfs/dbraw/zinc/35/76/03/179357603.db2.gz VQVXICHZWWCNGF-SFHVURJKSA-N 1 3 293.499 2.700 10 0 CFAEHO CCN1CCC[C@@H]([NH2+]CCc2ccccc2F)CC1 ZINC000086835276 179350478 /nfs/dbraw/zinc/35/04/78/179350478.db2.gz ZVKYQCUETYMYJM-OAHLLOKOSA-N 1 3 264.388 2.832 10 0 CFAEHO CC[N@@H+]1CCC[C@@H](NCCc2ccccc2F)CC1 ZINC000086835276 179350481 /nfs/dbraw/zinc/35/04/81/179350481.db2.gz ZVKYQCUETYMYJM-OAHLLOKOSA-N 1 3 264.388 2.832 10 0 CFAEHO CC[N@H+]1CCC[C@@H](NCCc2ccccc2F)CC1 ZINC000086835276 179350483 /nfs/dbraw/zinc/35/04/83/179350483.db2.gz ZVKYQCUETYMYJM-OAHLLOKOSA-N 1 3 264.388 2.832 10 0 CFAEHO CCN1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000086840736 179353951 /nfs/dbraw/zinc/35/39/51/179353951.db2.gz XYJANFCYVQXRPE-HOTGVXAUSA-N 1 3 258.409 2.790 10 0 CFAEHO CCCN1CCC[C@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086868218 179360882 /nfs/dbraw/zinc/36/08/82/179360882.db2.gz RKDBSHABZPILHC-KRWDZBQOSA-N 1 3 282.472 2.926 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573523 539673103 /nfs/dbraw/zinc/67/31/03/539673103.db2.gz ASRAULRCPRCDBD-YESZJQIVSA-N 1 3 256.393 2.733 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840522 355602523 /nfs/dbraw/zinc/60/25/23/355602523.db2.gz SYTUZBMIRYQPOU-CORIIIEPSA-N 1 3 250.361 2.803 10 0 CFAEHO C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842348 355603560 /nfs/dbraw/zinc/60/35/60/355603560.db2.gz ZCCNNTRUXVKFJE-DYVFJYSZSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CN ZINC000631842348 355603565 /nfs/dbraw/zinc/60/35/65/355603565.db2.gz ZCCNNTRUXVKFJE-DYVFJYSZSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CN ZINC000631842348 355603570 /nfs/dbraw/zinc/60/35/70/355603570.db2.gz ZCCNNTRUXVKFJE-DYVFJYSZSA-N 1 3 254.377 2.866 10 0 CFAEHO CN(Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000067847229 374008353 /nfs/dbraw/zinc/00/83/53/374008353.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 1 3 298.434 2.646 10 0 CFAEHO CN(Cc1ccc(-n2ccnc2)cc1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000067847229 374008359 /nfs/dbraw/zinc/00/83/59/374008359.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 1 3 298.434 2.646 10 0 CFAEHO CN1CC[C@@](C)(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067847229 374008364 /nfs/dbraw/zinc/00/83/64/374008364.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 1 3 298.434 2.646 10 0 CFAEHO CN1CC[C@@](C)(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067847229 374008369 /nfs/dbraw/zinc/00/83/69/374008369.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 1 3 298.434 2.646 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCCNCC2)s1 ZINC000129274140 377407247 /nfs/dbraw/zinc/40/72/47/377407247.db2.gz NARAXWQQVZXVLY-AAEUAGOBSA-N 1 3 252.427 2.719 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@H]2CCC[NH2+]CC2)s1 ZINC000129274140 377407257 /nfs/dbraw/zinc/40/72/57/377407257.db2.gz NARAXWQQVZXVLY-AAEUAGOBSA-N 1 3 252.427 2.719 10 0 CFAEHO CC1(F)CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335373816 379182982 /nfs/dbraw/zinc/18/29/82/379182982.db2.gz NHUKONLULYEZHR-UHFFFAOYSA-N 1 3 254.393 2.874 10 0 CFAEHO CC1(F)CC(NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000335373816 379182990 /nfs/dbraw/zinc/18/29/90/379182990.db2.gz NHUKONLULYEZHR-UHFFFAOYSA-N 1 3 254.393 2.874 10 0 CFAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)COCc1ccccc1 ZINC000567641538 383297162 /nfs/dbraw/zinc/29/71/62/383297162.db2.gz MNWGHSJSARLPKI-RYRKJORJSA-N 1 3 290.451 2.817 10 0 CFAEHO Cc1ccc2cc(CN3C[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999073 383455487 /nfs/dbraw/zinc/45/54/87/383455487.db2.gz PQAZIMRLKYRUFE-WBMJQRKESA-N 1 3 269.392 2.570 10 0 CFAEHO Cc1ccc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000261596573 383525521 /nfs/dbraw/zinc/52/55/21/383525521.db2.gz AHXZXNSLRMDYCD-ULQDDVLXSA-N 1 3 281.403 2.712 10 0 CFAEHO CCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261876417 383574248 /nfs/dbraw/zinc/57/42/48/383574248.db2.gz ZTQMTLAULHEPTP-XIRDDKMYSA-N 1 3 274.408 2.645 10 0 CFAEHO Cc1ncccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261903480 383577773 /nfs/dbraw/zinc/57/77/73/383577773.db2.gz WYIKVDIJRJVYNW-MSOLQXFVSA-N 1 3 281.403 2.564 10 0 CFAEHO Cc1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000261957437 383586220 /nfs/dbraw/zinc/58/62/20/383586220.db2.gz OUVNHXFKGPIGRV-OAHLLOKOSA-N 1 3 273.424 2.569 10 0 CFAEHO [NH3+]C[C@@H]1CN(CCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000261761904 383555756 /nfs/dbraw/zinc/55/57/56/383555756.db2.gz OCAQBOJBPQWWPS-MJGOQNOKSA-N 1 3 296.414 2.740 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582933 383628604 /nfs/dbraw/zinc/62/86/04/383628604.db2.gz ZFMFMUVDFYYLIO-YTQUADARSA-N 1 3 296.414 2.888 10 0 CFAEHO CC(C)OC1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000643475837 384655234 /nfs/dbraw/zinc/65/52/34/384655234.db2.gz PUQLKDXXXMECMY-QRNKSROTSA-N 1 3 268.445 2.700 10 0 CFAEHO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000246169135 393851357 /nfs/dbraw/zinc/85/13/57/393851357.db2.gz NYRGVYGVMDASQD-AWEZNQCLSA-N 1 3 267.376 2.828 10 0 CFAEHO Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000246169135 393851363 /nfs/dbraw/zinc/85/13/63/393851363.db2.gz NYRGVYGVMDASQD-AWEZNQCLSA-N 1 3 267.376 2.828 10 0 CFAEHO N[C@@H](CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020273981 171131097 /nfs/dbraw/zinc/13/10/97/171131097.db2.gz MYHGOUUREJMJEN-ZDUSSCGKSA-N 1 3 283.213 2.935 10 0 CFAEHO [NH3+][C@@H](CCN1CCCC1)c1ccc(Br)cc1 ZINC000020273981 171131098 /nfs/dbraw/zinc/13/10/98/171131098.db2.gz MYHGOUUREJMJEN-ZDUSSCGKSA-N 1 3 283.213 2.935 10 0 CFAEHO CCCC[NH+](CCCC)C1(CN)CCN(CC)CC1 ZINC000020484878 171224585 /nfs/dbraw/zinc/22/45/85/171224585.db2.gz SLHUQYCGCNFTFH-UHFFFAOYSA-N 1 3 269.477 2.702 10 0 CFAEHO CC1CC[NH+](CCCC(=O)Nc2cccc(CN)c2)CC1 ZINC000022152650 171359514 /nfs/dbraw/zinc/35/95/14/171359514.db2.gz LXAUIDMYXGIPFX-UHFFFAOYSA-N 1 3 289.423 2.596 10 0 CFAEHO CC(C)[NH+](CCNC1=NC(C)(C)CS1)C(C)C ZINC000035294335 172105687 /nfs/dbraw/zinc/10/56/87/172105687.db2.gz YJJRRQGNSIQWFY-UHFFFAOYSA-N 1 3 257.447 2.576 10 0 CFAEHO CC[NH+]1CCC([C@H](C)N[C@H](C)c2ccccn2)CC1 ZINC000037220374 173039701 /nfs/dbraw/zinc/03/97/01/173039701.db2.gz HLJCREXVFMZDQX-UONOGXRCSA-N 1 3 261.413 2.853 10 0 CFAEHO CCCN(CCC[NH3+])Cc1cccc2cccnc21 ZINC000037299555 173104204 /nfs/dbraw/zinc/10/42/04/173104204.db2.gz IRXYVDGOXHLWNF-UHFFFAOYSA-N 1 3 257.381 2.796 10 0 CFAEHO CCC[N@H+](CCCN)Cc1cccc2cccnc21 ZINC000037299555 173104206 /nfs/dbraw/zinc/10/42/06/173104206.db2.gz IRXYVDGOXHLWNF-UHFFFAOYSA-N 1 3 257.381 2.796 10 0 CFAEHO CCC[N@@H+](CCCN)Cc1cccc2cccnc21 ZINC000037299555 173104207 /nfs/dbraw/zinc/10/42/07/173104207.db2.gz IRXYVDGOXHLWNF-UHFFFAOYSA-N 1 3 257.381 2.796 10 0 CFAEHO CO[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283244 414249354 /nfs/dbraw/zinc/24/93/54/414249354.db2.gz JWQIKJWWBFZOBY-CWRNSKLLSA-N 1 3 268.445 2.559 10 0 CFAEHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)C1CCCCC1 ZINC000665283244 414249359 /nfs/dbraw/zinc/24/93/59/414249359.db2.gz JWQIKJWWBFZOBY-CWRNSKLLSA-N 1 3 268.445 2.559 10 0 CFAEHO CC[NH+](CC)CCn1c(CNC)nc2cc(Cl)ccc21 ZINC000040405719 174254036 /nfs/dbraw/zinc/25/40/36/174254036.db2.gz LQBMGBCAMFHJLL-UHFFFAOYSA-N 1 3 294.830 2.751 10 0 CFAEHO C[NH2+]C[C@H]1CCCN([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040593007 174347672 /nfs/dbraw/zinc/34/76/72/174347672.db2.gz KAWAWQYXWMUTDP-GOEBONIOSA-N 1 3 276.424 2.645 10 0 CFAEHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000040621497 174354994 /nfs/dbraw/zinc/35/49/94/174354994.db2.gz JLJGPEYPFDWSCN-RHSMWYFYSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCc3ccccc32)C1 ZINC000040621497 174354995 /nfs/dbraw/zinc/35/49/95/174354995.db2.gz JLJGPEYPFDWSCN-RHSMWYFYSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040621497 174354996 /nfs/dbraw/zinc/35/49/96/174354996.db2.gz JLJGPEYPFDWSCN-RHSMWYFYSA-N 1 3 258.409 2.994 10 0 CFAEHO N[C@@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040693970 174377791 /nfs/dbraw/zinc/37/77/91/174377791.db2.gz WFNCTZTUXXMJRZ-SFHVURJKSA-N 1 3 287.451 2.637 10 0 CFAEHO COc1cccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749106 174393627 /nfs/dbraw/zinc/39/36/27/174393627.db2.gz VFTMONQTVUMKHB-PRTUASRFSA-N 1 3 260.381 2.710 10 0 CFAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(C(C)(C)C)CC2)c1C ZINC000043314839 175004620 /nfs/dbraw/zinc/00/46/20/175004620.db2.gz LVPXIRRWXYVJMF-QGZVFWFLSA-N 1 3 289.467 2.719 10 0 CFAEHO NCC1([N@@H+]2CCO[C@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424619 175040289 /nfs/dbraw/zinc/04/02/89/175040289.db2.gz BBLFBQHQUWYWGA-GJZGRUSLSA-N 1 3 266.429 2.682 10 0 CFAEHO NCC1([N@H+]2CCO[C@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424619 175040290 /nfs/dbraw/zinc/04/02/90/175040290.db2.gz BBLFBQHQUWYWGA-GJZGRUSLSA-N 1 3 266.429 2.682 10 0 CFAEHO [NH3+]CCCCCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000043428140 175041179 /nfs/dbraw/zinc/04/11/79/175041179.db2.gz RUZMEYBMIPJBAK-HUUCEWRRSA-N 1 3 254.418 2.539 10 0 CFAEHO CC[C@@H]([NH3+])Cc1ccc(OCCN(C)C)c(Cl)c1 ZINC000043492832 175057732 /nfs/dbraw/zinc/05/77/32/175057732.db2.gz HMYMZIBOXQSZRH-GFCCVEGCSA-N 1 3 270.804 2.560 10 0 CFAEHO CCCN1CCN([C@H](C)[C@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805460 175107664 /nfs/dbraw/zinc/10/76/64/175107664.db2.gz DWRNPFLOEOMFSP-AEFFLSMTSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCN(CCC)CC1 ZINC000043805542 175107672 /nfs/dbraw/zinc/10/76/72/175107672.db2.gz LVIZNGFVRLICTC-JKSUJKDBSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805603 175107814 /nfs/dbraw/zinc/10/78/14/175107814.db2.gz KSRZSDYBCAFCET-ULQDDVLXSA-N 1 3 281.488 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815438 175112301 /nfs/dbraw/zinc/11/23/01/175112301.db2.gz XEKWJFKYVLRXFU-NJAFHUGGSA-N 1 3 295.515 2.959 10 0 CFAEHO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818409 175112897 /nfs/dbraw/zinc/11/28/97/175112897.db2.gz AJNVEHSOZKPVDA-FUHWJXTLSA-N 1 3 289.467 2.672 10 0 CFAEHO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818510 175113057 /nfs/dbraw/zinc/11/30/57/175113057.db2.gz DXIQPJLKPXEMRN-AEFFLSMTSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCCN(C)CC1 ZINC000043818550 175114116 /nfs/dbraw/zinc/11/41/16/175114116.db2.gz ZMTABGDZBUIEDV-ULQDDVLXSA-N 1 3 281.488 2.571 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCC(OC)CC2)c1 ZINC000043890115 175117867 /nfs/dbraw/zinc/11/78/67/175117867.db2.gz VYZAQRPKHRHLBM-CYBMUJFWSA-N 1 3 292.423 2.586 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897157 175120194 /nfs/dbraw/zinc/12/01/94/175120194.db2.gz RMGRGMVKVUJHJF-IKGGRYGDSA-N 1 3 281.488 2.569 10 0 CFAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965448 175126622 /nfs/dbraw/zinc/12/66/22/175126622.db2.gz OTYDREYFEKYNPB-NVXWUHKLSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965514 175127074 /nfs/dbraw/zinc/12/70/74/175127074.db2.gz TZUPEEUXIWZWCI-HUUCEWRRSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967941 175128790 /nfs/dbraw/zinc/12/87/90/175128790.db2.gz LCVLSDJNXQTRIN-ZWKOTPCHSA-N 1 3 293.499 2.715 10 0 CFAEHO CCC[NH2+][C@H](C)CCN(CCOC)C(CC)CC ZINC000043977269 175133400 /nfs/dbraw/zinc/13/34/00/175133400.db2.gz SNOMZWFOTOQLOU-CQSZACIVSA-N 1 3 258.450 2.902 10 0 CFAEHO [NH3+]CC1CCN(CCSc2ccccc2F)CC1 ZINC000044513807 175189337 /nfs/dbraw/zinc/18/93/37/175189337.db2.gz MOQNRDSLDPDLBW-UHFFFAOYSA-N 1 3 268.401 2.589 10 0 CFAEHO [NH3+][C@H]1CCCc2cc(OCCN3CCCCC3)ccc21 ZINC000044732441 175241269 /nfs/dbraw/zinc/24/12/69/175241269.db2.gz ODJCEYFOZJFQPL-KRWDZBQOSA-N 1 3 274.408 2.887 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000044995384 175287215 /nfs/dbraw/zinc/28/72/15/175287215.db2.gz RTMMYMAYYXVOPY-OAHLLOKOSA-N 1 3 297.487 2.522 10 0 CFAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071347 175301527 /nfs/dbraw/zinc/30/15/27/175301527.db2.gz AKQBATSWIPFPIC-QGZVFWFLSA-N 1 3 293.499 2.844 10 0 CFAEHO CCCN1CCC(CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071347 175301529 /nfs/dbraw/zinc/30/15/29/175301529.db2.gz AKQBATSWIPFPIC-QGZVFWFLSA-N 1 3 293.499 2.844 10 0 CFAEHO C[C@@H]1C[C@H](C)CN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267580 176100996 /nfs/dbraw/zinc/10/09/96/176100996.db2.gz QRJKRZGWEGZXNW-PHIMTYICSA-N 1 3 263.360 2.588 10 0 CFAEHO CC(C)CN(Cc1ccc(F)cc1C(N)=[NH2+])C1CC1 ZINC000071267886 176101720 /nfs/dbraw/zinc/10/17/20/176101720.db2.gz UKKITBFCQNTVJE-UHFFFAOYSA-N 1 3 263.360 2.730 10 0 CFAEHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCNCC1 ZINC000076656979 177045933 /nfs/dbraw/zinc/04/59/33/177045933.db2.gz ASVUQPPIGPNFMH-GFCCVEGCSA-N 1 3 252.789 2.566 10 0 CFAEHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCNCC1 ZINC000076656979 177045934 /nfs/dbraw/zinc/04/59/34/177045934.db2.gz ASVUQPPIGPNFMH-GFCCVEGCSA-N 1 3 252.789 2.566 10 0 CFAEHO C[C@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCCNC1 ZINC000521423701 262325966 /nfs/dbraw/zinc/32/59/66/262325966.db2.gz HNAVNVZLKWUCDX-WMZOPIPTSA-N 1 3 290.451 2.961 10 0 CFAEHO CN(C)CCOCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000226206381 270256340 /nfs/dbraw/zinc/25/63/40/270256340.db2.gz KPYZPAMZTWRZOS-GJZGRUSLSA-N 1 3 270.461 2.759 10 0 CFAEHO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCCNC1 ZINC000562958664 290085845 /nfs/dbraw/zinc/08/58/45/290085845.db2.gz JYKQZSIASLYDDR-GXTWGEPZSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562958664 290085848 /nfs/dbraw/zinc/08/58/48/290085848.db2.gz JYKQZSIASLYDDR-GXTWGEPZSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)COCc1ccccc1 ZINC000567641539 290480030 /nfs/dbraw/zinc/48/00/30/290480030.db2.gz MNWGHSJSARLPKI-SOLBZPMBSA-N 1 3 290.451 2.817 10 0 CFAEHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)COCc1ccccc1 ZINC000389946885 324522845 /nfs/dbraw/zinc/52/28/45/324522845.db2.gz QOBCRBNGYJIVEX-DOTOQJQBSA-N 1 3 276.424 2.571 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N(C)Cc1ccccn1 ZINC000052478862 519743748 /nfs/dbraw/zinc/74/37/48/519743748.db2.gz IITFECKWHDKYNY-HNNXBMFYSA-N 1 3 263.429 2.928 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@H](C)C2CC2)CCOCC1 ZINC000052181781 519909297 /nfs/dbraw/zinc/90/92/97/519909297.db2.gz ODDXJOCXBWKQGD-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181781 519909298 /nfs/dbraw/zinc/90/92/98/519909298.db2.gz ODDXJOCXBWKQGD-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181781 519909302 /nfs/dbraw/zinc/90/93/02/519909302.db2.gz ODDXJOCXBWKQGD-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@@H](C)CCC)CCOCC1 ZINC000052181881 519910164 /nfs/dbraw/zinc/91/01/64/519910164.db2.gz VSLBCFQJURWCDG-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@@H](C)CCC)CCOCC1 ZINC000052181881 519910169 /nfs/dbraw/zinc/91/01/69/519910169.db2.gz VSLBCFQJURWCDG-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@@H](C)CCC)CCOCC1 ZINC000052181881 519910170 /nfs/dbraw/zinc/91/01/70/519910170.db2.gz VSLBCFQJURWCDG-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183468 519912142 /nfs/dbraw/zinc/91/21/42/519912142.db2.gz YCIXYULKRPMSMI-JKSUJKDBSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183468 519912146 /nfs/dbraw/zinc/91/21/46/519912146.db2.gz YCIXYULKRPMSMI-JKSUJKDBSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[NH2+]CCCCN(C)Cc1ccccc1OC ZINC000052542200 519919073 /nfs/dbraw/zinc/91/90/73/519919073.db2.gz LQTNRKMRSCIWCG-UHFFFAOYSA-N 1 3 250.386 2.517 10 0 CFAEHO CCCC[C@@](CC)(CN)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000069381085 521121232 /nfs/dbraw/zinc/12/12/32/521121232.db2.gz SDEHQTZPIDYUQO-IRXDYDNUSA-N 1 3 281.488 2.844 10 0 CFAEHO CCC(C)(C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000069443577 521301668 /nfs/dbraw/zinc/30/16/68/521301668.db2.gz IPUSOLGOLKHXBN-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC(C)(C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000069443577 521301679 /nfs/dbraw/zinc/30/16/79/521301679.db2.gz IPUSOLGOLKHXBN-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)C[N@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052197789 519715016 /nfs/dbraw/zinc/71/50/16/519715016.db2.gz YUHIVNZXIPNIOE-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[N@@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052197789 519715017 /nfs/dbraw/zinc/71/50/17/519715017.db2.gz YUHIVNZXIPNIOE-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)[NH2+]Cc1ccoc1CN(C)[C@@H]1CCSC1 ZINC000052453167 519727692 /nfs/dbraw/zinc/72/76/92/519727692.db2.gz UWICYKZTMMCBCC-CYBMUJFWSA-N 1 3 268.426 2.715 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183025 519742754 /nfs/dbraw/zinc/74/27/54/519742754.db2.gz IWNQOLKCBRXQFM-JKSUJKDBSA-N 1 3 280.456 2.513 10 0 CFAEHO CC(C)C[NH2+]CC1(CN(C)CC(C)C)CCOCC1 ZINC000052181370 519742908 /nfs/dbraw/zinc/74/29/08/519742908.db2.gz BJIZIWMKLYPWTQ-UHFFFAOYSA-N 1 3 270.461 2.617 10 0 CFAEHO CC[NH2+]CC1(CN2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198215 519913791 /nfs/dbraw/zinc/91/37/91/519913791.db2.gz FDHNNWCYDCCWAW-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198215 519913793 /nfs/dbraw/zinc/91/37/93/519913793.db2.gz FDHNNWCYDCCWAW-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@H+]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198215 519913795 /nfs/dbraw/zinc/91/37/95/519913795.db2.gz FDHNNWCYDCCWAW-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCC[NH2+]C[C@@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419170 519925062 /nfs/dbraw/zinc/92/50/62/519925062.db2.gz KIHUDLWGDSMGJP-ROUUACIJSA-N 1 3 288.435 2.592 10 0 CFAEHO CCC[NH2+]Cc1ccccc1OCCN(C)C1CC1 ZINC000052445366 519956727 /nfs/dbraw/zinc/95/67/27/519956727.db2.gz RGPWXCMBIVATKR-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(C)c2)O1 ZINC000052346049 519977180 /nfs/dbraw/zinc/97/71/80/519977180.db2.gz NMRCSFPKEQTSAN-SJORKVTESA-N 1 3 276.424 2.584 10 0 CFAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(CC)Cc2ccccc2)O1 ZINC000052443813 519977789 /nfs/dbraw/zinc/97/77/89/519977789.db2.gz ZCOUURLJQUYKJP-SJORKVTESA-N 1 3 276.424 2.666 10 0 CFAEHO CCCC[N@H+](C)CCOc1ccccc1CNCC ZINC000052417968 520411816 /nfs/dbraw/zinc/41/18/16/520411816.db2.gz PKYUWYJVMRSNBF-UHFFFAOYSA-N 1 3 264.413 2.907 10 0 CFAEHO CCCC[N@@H+](C)CCOc1ccccc1CNCC ZINC000052417968 520411822 /nfs/dbraw/zinc/41/18/22/520411822.db2.gz PKYUWYJVMRSNBF-UHFFFAOYSA-N 1 3 264.413 2.907 10 0 CFAEHO CCCC[C@@](CC)(CN)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000069381085 521121228 /nfs/dbraw/zinc/12/12/28/521121228.db2.gz SDEHQTZPIDYUQO-IRXDYDNUSA-N 1 3 281.488 2.844 10 0 CFAEHO CCc1ccccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052202787 521839927 /nfs/dbraw/zinc/83/99/27/521839927.db2.gz HHBLDPWBTCGOQN-CQSZACIVSA-N 1 3 258.409 2.823 10 0 CFAEHO CCc1ccccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052202787 521839934 /nfs/dbraw/zinc/83/99/34/521839934.db2.gz HHBLDPWBTCGOQN-CQSZACIVSA-N 1 3 258.409 2.823 10 0 CFAEHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000052202787 521839942 /nfs/dbraw/zinc/83/99/42/521839942.db2.gz HHBLDPWBTCGOQN-CQSZACIVSA-N 1 3 258.409 2.823 10 0 CFAEHO CN(C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943254 521935804 /nfs/dbraw/zinc/93/58/04/521935804.db2.gz WYDDKJXRKYQUFV-HNNXBMFYSA-N 1 3 289.423 2.609 10 0 CFAEHO CNCC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182013 521967705 /nfs/dbraw/zinc/96/77/05/521967705.db2.gz YGVZVJHNCRRQJQ-HOTGVXAUSA-N 1 3 280.456 2.657 10 0 CFAEHO CNCC1(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182013 521967715 /nfs/dbraw/zinc/96/77/15/521967715.db2.gz YGVZVJHNCRRQJQ-HOTGVXAUSA-N 1 3 280.456 2.657 10 0 CFAEHO CC[C@@H](C)N1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055063340 522134337 /nfs/dbraw/zinc/13/43/37/522134337.db2.gz WPSZWJOGSTUIFJ-GFCCVEGCSA-N 1 3 281.831 2.719 10 0 CFAEHO CNCc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000052381353 522140694 /nfs/dbraw/zinc/14/06/94/522140694.db2.gz ATRJGXNQHZVTPC-CQSZACIVSA-N 1 3 262.397 2.517 10 0 CFAEHO CNCc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000052381353 522140697 /nfs/dbraw/zinc/14/06/97/522140697.db2.gz ATRJGXNQHZVTPC-CQSZACIVSA-N 1 3 262.397 2.517 10 0 CFAEHO CNCc1ccccc1OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420691 522140867 /nfs/dbraw/zinc/14/08/67/522140867.db2.gz CGLSRBSTYWJDKF-GASCZTMLSA-N 1 3 276.424 2.763 10 0 CFAEHO CNCc1ccccc1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420691 522140877 /nfs/dbraw/zinc/14/08/77/522140877.db2.gz CGLSRBSTYWJDKF-GASCZTMLSA-N 1 3 276.424 2.763 10 0 CFAEHO CN(CCCN1CCCCC1=[NH2+])Cc1ccccc1 ZINC000049583945 522748751 /nfs/dbraw/zinc/74/87/51/522748751.db2.gz FKOWSFKIOUZIBU-UHFFFAOYSA-N 1 3 259.397 2.972 10 0 CFAEHO CC[C@H]1CCC[N@H+](Cc2cc(C)c(CNC)o2)C1 ZINC000052479932 523091305 /nfs/dbraw/zinc/09/13/05/523091305.db2.gz BOEKPUJKYXGNGB-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@H]1CCC[N@@H+](Cc2cc(C)c(CNC)o2)C1 ZINC000052479932 523091311 /nfs/dbraw/zinc/09/13/11/523091311.db2.gz BOEKPUJKYXGNGB-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@@H]1CCCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052181294 523166402 /nfs/dbraw/zinc/16/64/02/523166402.db2.gz VEXWTMLIMGGLMH-MRXNPFEDSA-N 1 3 280.456 2.800 10 0 CFAEHO CC[C@@H]1CCCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052181294 523166406 /nfs/dbraw/zinc/16/64/06/523166406.db2.gz VEXWTMLIMGGLMH-MRXNPFEDSA-N 1 3 280.456 2.800 10 0 CFAEHO CC[C@@H]1CCC[N@@H+]1CCOc1ccccc1CNC ZINC000052375101 523267589 /nfs/dbraw/zinc/26/75/89/523267589.db2.gz VDTVFLFRBDSZDI-OAHLLOKOSA-N 1 3 262.397 2.659 10 0 CFAEHO CC[C@@H]1CCC[N@H+]1CCOc1ccccc1CNC ZINC000052375101 523267597 /nfs/dbraw/zinc/26/75/97/523267597.db2.gz VDTVFLFRBDSZDI-OAHLLOKOSA-N 1 3 262.397 2.659 10 0 CFAEHO CC[C@H]1CO[C@H](C)CN1CCCC[NH2+]CC(C)C ZINC000052570768 523352305 /nfs/dbraw/zinc/35/23/05/523352305.db2.gz CLXZZSVIXMYVTR-CABCVRRESA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@](C)(C[NH2+]C(C)C)CN1CCN(C2CCCC2)CC1 ZINC000052063845 523464761 /nfs/dbraw/zinc/46/47/61/523464761.db2.gz XJDDURGSPQJAME-GOSISDBHSA-N 1 3 295.515 2.961 10 0 CFAEHO CN(Cc1oc2ccccc2c1C[NH3+])[C@@H]1CCSC1 ZINC000052453436 523618200 /nfs/dbraw/zinc/61/82/00/523618200.db2.gz NFRYWGZNDDGLJW-LLVKDONJSA-N 1 3 276.405 2.829 10 0 CFAEHO COCCN(C)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052572961 523624485 /nfs/dbraw/zinc/62/44/85/523624485.db2.gz LYUHXKCKVDLUJI-UHFFFAOYSA-N 1 3 264.413 2.653 10 0 CFAEHO C[N@@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1CN ZINC000052904935 523821912 /nfs/dbraw/zinc/82/19/12/523821912.db2.gz YOMQGVWXRNGJSQ-LLVKDONJSA-N 1 3 268.788 2.662 10 0 CFAEHO C[N@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1CN ZINC000052904935 523821915 /nfs/dbraw/zinc/82/19/15/523821915.db2.gz YOMQGVWXRNGJSQ-LLVKDONJSA-N 1 3 268.788 2.662 10 0 CFAEHO CCc1ccc([C@@H](C[NH3+])N2CCN(C(C)(C)C)CC2)cc1 ZINC000048927013 524028546 /nfs/dbraw/zinc/02/85/46/524028546.db2.gz INGQZIMDUKGRCE-QGZVFWFLSA-N 1 3 289.467 2.665 10 0 CFAEHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(CN)c2)[C@@H]1C ZINC000050563670 524220469 /nfs/dbraw/zinc/22/04/69/524220469.db2.gz UWDRSOYPCZCFEZ-ZIAGYGMSSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(CN)c2)[C@@H]1C ZINC000050563670 524220477 /nfs/dbraw/zinc/22/04/77/524220477.db2.gz UWDRSOYPCZCFEZ-ZIAGYGMSSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235160423 524908104 /nfs/dbraw/zinc/90/81/04/524908104.db2.gz KBKTVBFHYCIDNB-DZGCQCFKSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000235160423 524908112 /nfs/dbraw/zinc/90/81/12/524908112.db2.gz KBKTVBFHYCIDNB-DZGCQCFKSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000235160423 524908119 /nfs/dbraw/zinc/90/81/19/524908119.db2.gz KBKTVBFHYCIDNB-DZGCQCFKSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@@H]1CO[C@@H](C)CN1CCCCC[NH2+]C(C)(C)C ZINC000052476649 525152261 /nfs/dbraw/zinc/15/22/61/525152261.db2.gz AKFWEJCAOUDLBF-KGLIPLIRSA-N 1 3 256.434 2.654 10 0 CFAEHO [NH3+]Cc1ccccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702145 527260225 /nfs/dbraw/zinc/26/02/25/527260225.db2.gz IYCFPXBXEIKJTR-QGZVFWFLSA-N 1 3 282.387 2.799 10 0 CFAEHO NCc1coc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373104 527263324 /nfs/dbraw/zinc/26/33/24/527263324.db2.gz OBLSOGAMSUVOPR-OAHLLOKOSA-N 1 3 256.349 2.728 10 0 CFAEHO NCc1coc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000052373104 527263329 /nfs/dbraw/zinc/26/33/29/527263329.db2.gz OBLSOGAMSUVOPR-OAHLLOKOSA-N 1 3 256.349 2.728 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309684598 618908256 /nfs/dbraw/zinc/90/82/56/618908256.db2.gz AMSWGZPKQMMUPN-IXDOHACOSA-N 1 3 258.409 2.897 10 0 CFAEHO C[C@@H](NC1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000399099156 619085993 /nfs/dbraw/zinc/08/59/93/619085993.db2.gz ZPGVIYIJEASLHV-SNVBAGLBSA-N 1 3 288.844 2.509 10 0 CFAEHO CC1(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCC1 ZINC000262007860 619367739 /nfs/dbraw/zinc/36/77/39/619367739.db2.gz UUEYIBTYOOWCIR-CVEARBPZSA-N 1 3 258.409 2.851 10 0 CFAEHO CC1(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)CCC1 ZINC000262007860 619367741 /nfs/dbraw/zinc/36/77/41/619367741.db2.gz UUEYIBTYOOWCIR-CVEARBPZSA-N 1 3 258.409 2.851 10 0 CFAEHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149290 623588713 /nfs/dbraw/zinc/58/87/13/623588713.db2.gz LKZRJHMUQJMRHK-YYJSSNLHSA-N 1 3 264.335 2.825 10 0 CFAEHO Cc1nc(C)c([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089150278 650829140 /nfs/dbraw/zinc/82/91/40/650829140.db2.gz QEJIMBITDKNPGT-WCQGTBRESA-N 1 3 253.415 2.538 10 0 CFAEHO COc1cccc([C@H](C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818649 179346510 /nfs/dbraw/zinc/34/65/10/179346510.db2.gz RMUKWALHHZYZHG-DZGCQCFKSA-N 1 3 262.397 2.830 10 0 CFAEHO COc1cccc([C@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818649 179346512 /nfs/dbraw/zinc/34/65/12/179346512.db2.gz RMUKWALHHZYZHG-DZGCQCFKSA-N 1 3 262.397 2.830 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+](CCC)C(C)C)CC1 ZINC000086846779 179355635 /nfs/dbraw/zinc/35/56/35/179355635.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+](CCC)C(C)C)CC1 ZINC000086846779 179355636 /nfs/dbraw/zinc/35/56/36/179355636.db2.gz OHFBLEBRCCVUQL-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO CCC(C)(C)[N@H+](C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848842 179358553 /nfs/dbraw/zinc/35/85/53/179358553.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 1 3 269.477 2.699 10 0 CFAEHO CCC(C)(C)[N@@H+](C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848842 179358554 /nfs/dbraw/zinc/35/85/54/179358554.db2.gz OFXYXUXIOLIDLX-MRXNPFEDSA-N 1 3 269.477 2.699 10 0 CFAEHO [NH3+][C@@H]1CCCCCN(c2ccnc3ccccc32)C1 ZINC000630548824 355108932 /nfs/dbraw/zinc/10/89/32/355108932.db2.gz GOKVBHYBSSRBOM-CYBMUJFWSA-N 1 3 255.365 2.943 10 0 CFAEHO C[C@@H]1CN(Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840189 355602588 /nfs/dbraw/zinc/60/25/88/355602588.db2.gz ADXUYCXNXCKIQY-NEPJUHHUSA-N 1 3 260.406 2.928 10 0 CFAEHO CN(C[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231456541 540233942 /nfs/dbraw/zinc/23/39/42/540233942.db2.gz DTCDPRYAIVEBNE-HUUCEWRRSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@H+](C[C@H]1CCOc2ccccc21)[C@@H]1CCCNCC1 ZINC000231456541 540233944 /nfs/dbraw/zinc/23/39/44/540233944.db2.gz DTCDPRYAIVEBNE-HUUCEWRRSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@@H+](C[C@H]1CCOc2ccccc21)[C@@H]1CCCNCC1 ZINC000231456541 540233948 /nfs/dbraw/zinc/23/39/48/540233948.db2.gz DTCDPRYAIVEBNE-HUUCEWRRSA-N 1 3 274.408 2.627 10 0 CFAEHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017274 372633875 /nfs/dbraw/zinc/63/38/75/372633875.db2.gz YKSNSQNHZKYWKV-CJNGLKHVSA-N 1 3 289.423 2.594 10 0 CFAEHO C[NH2+]C[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000041721439 372860191 /nfs/dbraw/zinc/86/01/91/372860191.db2.gz DWAMUHINDBHWSE-CYBMUJFWSA-N 1 3 255.365 2.671 10 0 CFAEHO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000120451720 376617906 /nfs/dbraw/zinc/61/79/06/376617906.db2.gz QIZCVWWEWRRGDX-WWGRRREGSA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@H](CCOCc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335737 380856370 /nfs/dbraw/zinc/85/63/70/380856370.db2.gz FWNSEYWEKAMICZ-HLLBOEOZSA-N 1 3 276.424 2.569 10 0 CFAEHO Cc1nc(C)c([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000386065944 382582358 /nfs/dbraw/zinc/58/23/58/382582358.db2.gz FHUAFIHXIJHCNW-OLUVUFQESA-N 1 3 267.442 2.738 10 0 CFAEHO Cc1nc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000386065944 382582360 /nfs/dbraw/zinc/58/23/60/382582360.db2.gz FHUAFIHXIJHCNW-OLUVUFQESA-N 1 3 267.442 2.738 10 0 CFAEHO Cc1nc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000386065944 382582363 /nfs/dbraw/zinc/58/23/63/382582363.db2.gz FHUAFIHXIJHCNW-OLUVUFQESA-N 1 3 267.442 2.738 10 0 CFAEHO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)CC(F)(F)F ZINC000575795008 382799038 /nfs/dbraw/zinc/79/90/38/382799038.db2.gz ASAWGCCRWSXBAD-GRYCIOLGSA-N 1 3 266.351 2.943 10 0 CFAEHO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000233401955 382871376 /nfs/dbraw/zinc/87/13/76/382871376.db2.gz YNWRJFLQSHEONA-BBRMVZONSA-N 1 3 259.397 2.829 10 0 CFAEHO CCOCC[N@@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000246699285 383095128 /nfs/dbraw/zinc/09/51/28/383095128.db2.gz ZIIWXRVOXSWDTI-OAHLLOKOSA-N 1 3 299.418 2.782 10 0 CFAEHO CCOCC[N@H+]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000246699285 383095130 /nfs/dbraw/zinc/09/51/30/383095130.db2.gz ZIIWXRVOXSWDTI-OAHLLOKOSA-N 1 3 299.418 2.782 10 0 CFAEHO C[C@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCCNC1 ZINC000520564850 383263132 /nfs/dbraw/zinc/26/31/32/383263132.db2.gz DPYYZIFDWKBJOB-GJZGRUSLSA-N 1 3 268.445 2.704 10 0 CFAEHO Cc1csc([C@@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000262227399 383612919 /nfs/dbraw/zinc/61/29/19/383612919.db2.gz NLTVKYUJODIIRG-AWEZNQCLSA-N 1 3 279.453 2.978 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCC4CC4)cc3)C[C@H]12 ZINC000262030995 383597609 /nfs/dbraw/zinc/59/76/09/383597609.db2.gz XEYHEJZCSATHQB-BPQIPLTHSA-N 1 3 286.419 2.645 10 0 CFAEHO C[N@@H+]1CCC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763705 393888113 /nfs/dbraw/zinc/88/81/13/393888113.db2.gz SSGKBJSMEJFLRG-AWEZNQCLSA-N 1 3 269.392 2.666 10 0 CFAEHO C[N@H+]1CCC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763705 393888115 /nfs/dbraw/zinc/88/81/15/393888115.db2.gz SSGKBJSMEJFLRG-AWEZNQCLSA-N 1 3 269.392 2.666 10 0 CFAEHO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c2ccccc2n1 ZINC000235972905 397626760 /nfs/dbraw/zinc/62/67/60/397626760.db2.gz WHMQJQCNHVUGSY-MRXNPFEDSA-N 1 3 255.365 2.718 10 0 CFAEHO N[C@H](CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020273982 171130780 /nfs/dbraw/zinc/13/07/80/171130780.db2.gz MYHGOUUREJMJEN-CYBMUJFWSA-N 1 3 283.213 2.935 10 0 CFAEHO [NH3+][C@H](CCN1CCCC1)c1ccc(Br)cc1 ZINC000020273982 171130781 /nfs/dbraw/zinc/13/07/81/171130781.db2.gz MYHGOUUREJMJEN-CYBMUJFWSA-N 1 3 283.213 2.935 10 0 CFAEHO Cc1ccccc1OC[C@H](CC[NH3+])N1CCCCC1 ZINC000020402218 171182293 /nfs/dbraw/zinc/18/22/93/171182293.db2.gz DIEZSKIEBHVWCM-HNNXBMFYSA-N 1 3 262.397 2.577 10 0 CFAEHO CC[C@H](C)CN(C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173359 173007884 /nfs/dbraw/zinc/00/78/84/173007884.db2.gz YQTDDAIXZXTXPG-JTQLQIEISA-N 1 3 251.349 2.588 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220144 173038124 /nfs/dbraw/zinc/03/81/24/173038124.db2.gz PNOGSYXPZQLUPS-LZWOXQAQSA-N 1 3 261.413 2.853 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221635 173042458 /nfs/dbraw/zinc/04/24/58/173042458.db2.gz PYKZCHZMVXLJJS-CABCVRRESA-N 1 3 256.434 2.512 10 0 CFAEHO CCN[C@@H](C)c1ccccc1OCCC[NH+](C)C ZINC000040240407 174212890 /nfs/dbraw/zinc/21/28/90/174212890.db2.gz AZXMRCJOSQJLME-ZDUSSCGKSA-N 1 3 250.386 2.688 10 0 CFAEHO c1cc2c(c(OCCC[NH+]3CCCCC3)c1)CCNC2 ZINC000040565569 174337313 /nfs/dbraw/zinc/33/73/13/174337313.db2.gz CPIIRFSGNQWTCI-UHFFFAOYSA-N 1 3 274.408 2.587 10 0 CFAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCSc1ccccc1 ZINC000040750477 174395925 /nfs/dbraw/zinc/39/59/25/174395925.db2.gz TZHNMIOUOFUMSI-AGUYFDCRSA-N 1 3 262.422 2.733 10 0 CFAEHO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCN(C)C)CC(C)C ZINC000043336304 175011709 /nfs/dbraw/zinc/01/17/09/175011709.db2.gz GHEHEEOLPFDNTI-ZBFHGGJFSA-N 1 3 281.444 2.578 10 0 CFAEHO CN1CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389752 175033618 /nfs/dbraw/zinc/03/36/18/175033618.db2.gz ONATWUIBIKEKPV-LLVKDONJSA-N 1 3 256.752 2.520 10 0 CFAEHO CCN(CCC[C@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC000043592015 175074316 /nfs/dbraw/zinc/07/43/16/175074316.db2.gz NWWQPXXHQMFEKL-OAHLLOKOSA-N 1 3 261.413 2.683 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805605 175107584 /nfs/dbraw/zinc/10/75/84/175107584.db2.gz KSRZSDYBCAFCET-ZACQAIPSSA-N 1 3 281.488 2.571 10 0 CFAEHO CCCN1CCN([C@@H](C)[C@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805458 175107645 /nfs/dbraw/zinc/10/76/45/175107645.db2.gz DWRNPFLOEOMFSP-WMZOPIPTSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCN(CCC)CC1 ZINC000043805655 175107753 /nfs/dbraw/zinc/10/77/53/175107753.db2.gz FGQISNUTRYRHEB-DLBZAZTESA-N 1 3 283.504 2.961 10 0 CFAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815230 175111947 /nfs/dbraw/zinc/11/19/47/175111947.db2.gz JCBWBCVVVFQIRG-YJBOKZPZSA-N 1 3 289.467 2.670 10 0 CFAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(CC)cc1 ZINC000043818441 175112980 /nfs/dbraw/zinc/11/29/80/175112980.db2.gz FHWNQQTXIXTTQY-GOSISDBHSA-N 1 3 289.467 2.537 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCCN(C)CC1 ZINC000043818552 175113703 /nfs/dbraw/zinc/11/37/03/175113703.db2.gz ZMTABGDZBUIEDV-ZACQAIPSSA-N 1 3 281.488 2.571 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897081 175120049 /nfs/dbraw/zinc/12/00/49/175120049.db2.gz OSPIMYQUWUURBX-DLBZAZTESA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccccc1C ZINC000043897103 175120162 /nfs/dbraw/zinc/12/01/62/175120162.db2.gz HAFCXJUKNDTVFN-SFHVURJKSA-N 1 3 289.467 2.672 10 0 CFAEHO CCC[C@@H]([NH2+]C)[C@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965517 175126879 /nfs/dbraw/zinc/12/68/79/175126879.db2.gz TZUPEEUXIWZWCI-CABCVRRESA-N 1 3 269.477 2.569 10 0 CFAEHO C[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1C ZINC000043965510 175126894 /nfs/dbraw/zinc/12/68/94/175126894.db2.gz WXGWBGNVHMGIKW-KRWDZBQOSA-N 1 3 289.467 2.672 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965630 175127111 /nfs/dbraw/zinc/12/71/11/175127111.db2.gz ZFQUVIIQEDVJOB-HZPDHXFCSA-N 1 3 283.504 2.959 10 0 CFAEHO CC(C)[C@H]([C@@H](O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000044132977 175145293 /nfs/dbraw/zinc/14/52/93/175145293.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 1 3 290.451 2.771 10 0 CFAEHO CC(C)[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044132977 175145295 /nfs/dbraw/zinc/14/52/95/175145295.db2.gz MJMNRBZGQLJEHH-MSOLQXFVSA-N 1 3 290.451 2.771 10 0 CFAEHO C[C@@H](CCc1ccccc1)[N@@H+]1CCCNC[C@@H](C)C1 ZINC000044482964 175179897 /nfs/dbraw/zinc/17/98/97/175179897.db2.gz WVGLPBIDWQGBSE-CVEARBPZSA-N 1 3 260.425 2.939 10 0 CFAEHO C[C@@H](CCc1ccccc1)[N@H+]1CCCNC[C@@H](C)C1 ZINC000044482964 175179899 /nfs/dbraw/zinc/17/98/99/175179899.db2.gz WVGLPBIDWQGBSE-CVEARBPZSA-N 1 3 260.425 2.939 10 0 CFAEHO C[C@@H](CCc1ccccc1)N1CCC[NH2+]C[C@@H](C)C1 ZINC000044482964 175179901 /nfs/dbraw/zinc/17/99/01/175179901.db2.gz WVGLPBIDWQGBSE-CVEARBPZSA-N 1 3 260.425 2.939 10 0 CFAEHO C[C@H]1C[NH2+]C[C@H](C)CN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660209 175226127 /nfs/dbraw/zinc/22/61/27/175226127.db2.gz ZNPKNFXVQUADKA-XJNFMUPTSA-N 1 3 258.409 2.720 10 0 CFAEHO [NH3+][C@@H]1CCCc2cc(OCCN3CCCCC3)ccc21 ZINC000044732442 175241390 /nfs/dbraw/zinc/24/13/90/175241390.db2.gz ODJCEYFOZJFQPL-QGZVFWFLSA-N 1 3 274.408 2.887 10 0 CFAEHO CC(C)N1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071281 175301146 /nfs/dbraw/zinc/30/11/46/175301146.db2.gz SEBNBBKGKGNIET-QGZVFWFLSA-N 1 3 293.499 2.843 10 0 CFAEHO CC(C)N1CCC(CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071281 175301148 /nfs/dbraw/zinc/30/11/48/175301148.db2.gz SEBNBBKGKGNIET-QGZVFWFLSA-N 1 3 293.499 2.843 10 0 CFAEHO C[NH2+]C[C@H]1CCN([C@@H](c2cccs2)C2CC2)C1 ZINC000071142598 176040294 /nfs/dbraw/zinc/04/02/94/176040294.db2.gz UFFXLMDXHQSURS-BXUZGUMPSA-N 1 3 250.411 2.741 10 0 CFAEHO CCCN(Cc1ccc(F)cc1C(N)=[NH2+])CC1CC1 ZINC000071267814 176101333 /nfs/dbraw/zinc/10/13/33/176101333.db2.gz KZPDGHIENLRLRG-UHFFFAOYSA-N 1 3 263.360 2.732 10 0 CFAEHO CC(C)N1CCN(C2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000336528006 277609301 /nfs/dbraw/zinc/60/93/01/277609301.db2.gz ZIAWBGZPNOFHNJ-AEFFLSMTSA-N 1 3 293.499 2.665 10 0 CFAEHO CC[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(OC)cc1 ZINC000251136280 288069235 /nfs/dbraw/zinc/06/92/35/288069235.db2.gz ZJKHMHCYJXGWTD-CWRNSKLLSA-N 1 3 262.397 2.863 10 0 CFAEHO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000228164204 278714977 /nfs/dbraw/zinc/71/49/77/278714977.db2.gz OIVZADUVSWJLAU-QWHCGFSZSA-N 1 3 255.365 2.717 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249414482 281291069 /nfs/dbraw/zinc/29/10/69/281291069.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 1 3 282.472 2.734 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249414482 281291071 /nfs/dbraw/zinc/29/10/71/281291071.db2.gz VUMNEGCRAFZASS-IKGGRYGDSA-N 1 3 282.472 2.734 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@H]1CCCNC1 ZINC000565539767 290307900 /nfs/dbraw/zinc/30/79/00/290307900.db2.gz NZVJDHAWVOLZRD-NXSPZCGBSA-N 1 3 250.430 2.790 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052503251 519717010 /nfs/dbraw/zinc/71/70/10/519717010.db2.gz BAWNPUBRUVLQDC-MRXNPFEDSA-N 1 3 285.520 2.919 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181824 519909274 /nfs/dbraw/zinc/90/92/74/519909274.db2.gz VOKWVSYZGVECBM-MRXNPFEDSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181824 519909279 /nfs/dbraw/zinc/90/92/79/519909279.db2.gz VOKWVSYZGVECBM-MRXNPFEDSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@@H](CC)C2)CCOCC1 ZINC000052181824 519909281 /nfs/dbraw/zinc/90/92/81/519909281.db2.gz VOKWVSYZGVECBM-MRXNPFEDSA-N 1 3 282.472 2.905 10 0 CFAEHO CCC[NH2+]CC1(CN(CC(C)C)C2CC2)CCOCC1 ZINC000052182772 519909333 /nfs/dbraw/zinc/90/93/33/519909333.db2.gz LHZKQDXPQBDEAD-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182772 519909335 /nfs/dbraw/zinc/90/93/35/519909335.db2.gz LHZKQDXPQBDEAD-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182772 519909340 /nfs/dbraw/zinc/90/93/40/519909340.db2.gz LHZKQDXPQBDEAD-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181380 519909359 /nfs/dbraw/zinc/90/93/59/519909359.db2.gz YDIDBLXKGZIHLY-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181380 519909360 /nfs/dbraw/zinc/90/93/60/519909360.db2.gz YDIDBLXKGZIHLY-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)[C@@H](C)CC)CCOCC1 ZINC000052181380 519909362 /nfs/dbraw/zinc/90/93/62/519909362.db2.gz YDIDBLXKGZIHLY-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)C(C)C)CCOCC1 ZINC000052181316 519909410 /nfs/dbraw/zinc/90/94/10/519909410.db2.gz UDMVGUYZVBSTDP-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](CC)C(C)C ZINC000052446794 520009312 /nfs/dbraw/zinc/00/93/12/520009312.db2.gz BMZMJSQLSJHFRJ-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](CC)C(C)C ZINC000052446794 520009316 /nfs/dbraw/zinc/00/93/16/520009316.db2.gz BMZMJSQLSJHFRJ-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CCNCc1coc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420763 520019076 /nfs/dbraw/zinc/01/90/76/520019076.db2.gz LAVQSGUERXLXOI-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCc1coc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000052420763 520019084 /nfs/dbraw/zinc/01/90/84/520019084.db2.gz LAVQSGUERXLXOI-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCC[N@H+](C)CCOc1ccccc1CNC ZINC000052417967 520410431 /nfs/dbraw/zinc/41/04/31/520410431.db2.gz MQYOLPRHPSWNGR-UHFFFAOYSA-N 1 3 250.386 2.517 10 0 CFAEHO CCCC[N@@H+](C)CCOc1ccccc1CNC ZINC000052417967 520410441 /nfs/dbraw/zinc/41/04/41/520410441.db2.gz MQYOLPRHPSWNGR-UHFFFAOYSA-N 1 3 250.386 2.517 10 0 CFAEHO C(NC1CC1)C1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181101 518395855 /nfs/dbraw/zinc/39/58/55/518395855.db2.gz VERANDMICNNZQP-UHFFFAOYSA-N 1 3 280.456 2.801 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccs2)O1 ZINC000052456369 519725061 /nfs/dbraw/zinc/72/50/61/519725061.db2.gz QHCUJABKXFTQGB-KGLIPLIRSA-N 1 3 282.453 2.726 10 0 CFAEHO CC(C)C[NH2+]Cc1ccoc1CN1CCCSCC1 ZINC000052371033 519748049 /nfs/dbraw/zinc/74/80/49/519748049.db2.gz MBXXWGSPCOXEII-UHFFFAOYSA-N 1 3 282.453 2.964 10 0 CFAEHO CC[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417330 519920161 /nfs/dbraw/zinc/92/01/61/519920161.db2.gz RFVMSYJDKAXCIQ-MRXNPFEDSA-N 1 3 275.440 2.587 10 0 CFAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(C)cc2)O1 ZINC000052424737 519977640 /nfs/dbraw/zinc/97/76/40/519977640.db2.gz HHTCJTQKZLVVEI-SJORKVTESA-N 1 3 276.424 2.584 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)[C@@H](C)CC ZINC000052444129 520008275 /nfs/dbraw/zinc/00/82/75/520008275.db2.gz CXXGESLDXCTQRK-AWEZNQCLSA-N 1 3 264.413 2.905 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)[C@@H](C)CC ZINC000052444129 520008284 /nfs/dbraw/zinc/00/82/84/520008284.db2.gz CXXGESLDXCTQRK-AWEZNQCLSA-N 1 3 264.413 2.905 10 0 CFAEHO CCC[NH2+][C@H](CCC)CN1CCN([C@H](C)CC)CC1 ZINC000055065022 520069404 /nfs/dbraw/zinc/06/94/04/520069404.db2.gz CHVOLQAESPCSFC-HZPDHXFCSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(C2CCCC2)CC1 ZINC000052061390 520092464 /nfs/dbraw/zinc/09/24/64/520092464.db2.gz XUNPFAUGUCRVOQ-ROUUACIJSA-N 1 3 293.499 2.857 10 0 CFAEHO CCN(CC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180681 520583839 /nfs/dbraw/zinc/58/38/39/520583839.db2.gz CNWUMMJZWLWGKV-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCN(CC1(C[NH2+]C(C)C)CCOCC1)C(C)C ZINC000052181318 520938175 /nfs/dbraw/zinc/93/81/75/520938175.db2.gz MDHGWGSKHJBPCC-UHFFFAOYSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[N@H+](CC1(CNC(C)C)CCOCC1)C(C)C ZINC000052181318 520938183 /nfs/dbraw/zinc/93/81/83/520938183.db2.gz MDHGWGSKHJBPCC-UHFFFAOYSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[N@@H+](CC1(CNC(C)C)CCOCC1)C(C)C ZINC000052181318 520938190 /nfs/dbraw/zinc/93/81/90/520938190.db2.gz MDHGWGSKHJBPCC-UHFFFAOYSA-N 1 3 256.434 2.512 10 0 CFAEHO CCN(CCC[C@@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953412 521040527 /nfs/dbraw/zinc/04/05/27/521040527.db2.gz HZGYKZIJEJARGF-INIZCTEOSA-N 1 3 261.413 2.826 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCN(CC(C)C)CC1 ZINC000069380882 521256402 /nfs/dbraw/zinc/25/64/02/521256402.db2.gz HBRHDMUIEGVKGA-MRXNPFEDSA-N 1 3 269.477 2.558 10 0 CFAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346395 522093910 /nfs/dbraw/zinc/09/39/10/522093910.db2.gz ADVQEQXWYCVPGH-CABCVRRESA-N 1 3 282.815 2.539 10 0 CFAEHO COC1CCN(Cc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC000052455387 522705104 /nfs/dbraw/zinc/70/51/04/522705104.db2.gz FROUAOGVUUPJPK-UHFFFAOYSA-N 1 3 276.424 2.795 10 0 CFAEHO CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCN(C(C)(C)C)CC1 ZINC000048927605 523089851 /nfs/dbraw/zinc/08/98/51/523089851.db2.gz LAVZDRQBFAIELC-IRXDYDNUSA-N 1 3 289.467 2.881 10 0 CFAEHO CN1CCC([N@@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)CC1 ZINC000062704303 523767671 /nfs/dbraw/zinc/76/76/71/523767671.db2.gz KCNIPIDVZYYRED-QGZVFWFLSA-N 1 3 287.451 2.506 10 0 CFAEHO CN1CCC([N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)CC1 ZINC000062704303 523767681 /nfs/dbraw/zinc/76/76/81/523767681.db2.gz KCNIPIDVZYYRED-QGZVFWFLSA-N 1 3 287.451 2.506 10 0 CFAEHO COc1ccc(C)cc1CN(CCC[NH3+])CC(C)C ZINC000050702821 523811016 /nfs/dbraw/zinc/81/10/16/523811016.db2.gz UIQRPDMSZNLDAV-UHFFFAOYSA-N 1 3 264.413 2.810 10 0 CFAEHO C[C@H]1CCCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180806 524085998 /nfs/dbraw/zinc/08/59/98/524085998.db2.gz JPPKNDIZRGINTG-HNNXBMFYSA-N 1 3 282.472 2.903 10 0 CFAEHO Cc1ccc(C)c(OCCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149889 524176250 /nfs/dbraw/zinc/17/62/50/524176250.db2.gz LBXAKHAVRIRQOG-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](CNC3CC3)C2)[C@@H]1C ZINC000053012679 524391851 /nfs/dbraw/zinc/39/18/51/524391851.db2.gz LERHHLCVNXCAKI-KQTLUZQSSA-N 1 3 250.430 2.885 10 0 CFAEHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](CNC3CC3)C2)[C@@H]1C ZINC000053012679 524391864 /nfs/dbraw/zinc/39/18/64/524391864.db2.gz LERHHLCVNXCAKI-KQTLUZQSSA-N 1 3 250.430 2.885 10 0 CFAEHO C[C@@H](CCC[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419016 524456721 /nfs/dbraw/zinc/45/67/21/524456721.db2.gz LZNVRKPZOFVKMF-ZDUSSCGKSA-N 1 3 281.831 2.589 10 0 CFAEHO Cc1cc(CN2CCCC2)oc1C[NH2+]CC(C)C ZINC000052377638 524677471 /nfs/dbraw/zinc/67/74/71/524677471.db2.gz TZRHQEIDWKKIEH-UHFFFAOYSA-N 1 3 250.386 2.929 10 0 CFAEHO Cc1cc(CN2CCCN(C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052424485 524681946 /nfs/dbraw/zinc/68/19/46/524681946.db2.gz BFNLTZZOUUBUSJ-UHFFFAOYSA-N 1 3 293.455 2.614 10 0 CFAEHO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(C2CCCC2)CC1 ZINC000052060232 524838302 /nfs/dbraw/zinc/83/83/02/524838302.db2.gz IGMQYNINIPSPOD-BBRMVZONSA-N 1 3 293.480 2.697 10 0 CFAEHO c1cc2c(s1)CCN(CCCC[NH2+]C1CC1)C2 ZINC000052382857 526446821 /nfs/dbraw/zinc/44/68/21/526446821.db2.gz XQXKFDFGZVPTGZ-UHFFFAOYSA-N 1 3 250.411 2.638 10 0 CFAEHO CC1(C)[C@H](NC[C@@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423350338 527870417 /nfs/dbraw/zinc/87/04/17/527870417.db2.gz XJHNPCQBQLBWLJ-ZACQAIPSSA-N 1 3 288.435 2.569 10 0 CFAEHO CN(C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466980 545499678 /nfs/dbraw/zinc/49/96/78/545499678.db2.gz YOKDBQMJUITVJA-CABCVRRESA-N 1 3 266.429 2.552 10 0 CFAEHO C[N@@H+]1CCC[C@]2(CC1)NC1(CCCCC1)CCO2 ZINC000757150391 617829989 /nfs/dbraw/zinc/82/99/89/617829989.db2.gz PRASRLJKDMDUGT-HNNXBMFYSA-N 1 3 252.402 2.511 10 0 CFAEHO C[N@H+]1CCC[C@]2(CC1)NC1(CCCCC1)CCO2 ZINC000757150391 617829994 /nfs/dbraw/zinc/82/99/94/617829994.db2.gz PRASRLJKDMDUGT-HNNXBMFYSA-N 1 3 252.402 2.511 10 0 CFAEHO CN1CCC[C@]2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757150391 617830005 /nfs/dbraw/zinc/83/00/05/617830005.db2.gz PRASRLJKDMDUGT-HNNXBMFYSA-N 1 3 252.402 2.511 10 0 CFAEHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000212592898 645424709 /nfs/dbraw/zinc/42/47/09/645424709.db2.gz OODWXUFYLRCNAY-IXDOHACOSA-N 1 3 258.409 2.895 10 0 CFAEHO C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(C)cc21 ZINC000082509309 178075029 /nfs/dbraw/zinc/07/50/29/178075029.db2.gz YVTRIYOZXQXIJQ-AWEZNQCLSA-N 1 3 260.381 2.502 10 0 CFAEHO c1ccc2c(C[NH2+]CCCN3CCCC3)ccnc2c1 ZINC000113650244 347768027 /nfs/dbraw/zinc/76/80/27/347768027.db2.gz VUCBGKVLOLASCC-UHFFFAOYSA-N 1 3 269.392 2.810 10 0 CFAEHO CN1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817314 179344368 /nfs/dbraw/zinc/34/43/68/179344368.db2.gz IRLAVUZOTWZVER-CYBMUJFWSA-N 1 3 284.350 2.862 10 0 CFAEHO C[C@H]1CN(Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000631840191 355603004 /nfs/dbraw/zinc/60/30/04/355603004.db2.gz ADXUYCXNXCKIQY-RYUDHWBXSA-N 1 3 260.406 2.928 10 0 CFAEHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390914351 540985520 /nfs/dbraw/zinc/98/55/20/540985520.db2.gz SDOBNXXDEYJYOG-NWDGAFQWSA-N 1 3 260.372 2.790 10 0 CFAEHO CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CCCCC1(F)F ZINC000390914351 540985522 /nfs/dbraw/zinc/98/55/22/540985522.db2.gz SDOBNXXDEYJYOG-NWDGAFQWSA-N 1 3 260.372 2.790 10 0 CFAEHO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000104417446 375783380 /nfs/dbraw/zinc/78/33/80/375783380.db2.gz XTYNSFHEMGWCHD-CHWSQXEVSA-N 1 3 255.365 2.798 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000120410835 376610462 /nfs/dbraw/zinc/61/04/62/376610462.db2.gz STRCWBIWRQMABT-DVOMOZLQSA-N 1 3 262.397 2.686 10 0 CFAEHO N[C@H](CCCC[NH3+])c1c(F)cc(Br)cc1F ZINC000575438566 382771042 /nfs/dbraw/zinc/77/10/42/382771042.db2.gz KWLJDJZLSTWLSO-SNVBAGLBSA-N 1 3 293.155 2.856 10 0 CFAEHO CN(Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000231455823 382864998 /nfs/dbraw/zinc/86/49/98/382864998.db2.gz ZIZJCFWLVDIQMN-MRXNPFEDSA-N 1 3 269.392 2.809 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000569093366 383467013 /nfs/dbraw/zinc/46/70/13/383467013.db2.gz LXOFYPZOXCLIGC-NUJGCVRESA-N 1 3 290.451 2.960 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624305 383531061 /nfs/dbraw/zinc/53/10/61/383531061.db2.gz VCLIHZFMZQPKPM-DZUCGIPZSA-N 1 3 256.393 2.733 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624305 383531064 /nfs/dbraw/zinc/53/10/64/383531064.db2.gz VCLIHZFMZQPKPM-DZUCGIPZSA-N 1 3 256.393 2.733 10 0 CFAEHO Cc1cc(N2CCC(C)([NH3+])CC2)c2ccccc2n1 ZINC000643028911 384478399 /nfs/dbraw/zinc/47/83/99/384478399.db2.gz BHLVTJKTSCPJOM-UHFFFAOYSA-N 1 3 255.365 2.861 10 0 CFAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)CC(F)(F)F ZINC000643495102 384661887 /nfs/dbraw/zinc/66/18/87/384661887.db2.gz JGMJHVNYULQNAL-GARJFASQSA-N 1 3 252.324 2.553 10 0 CFAEHO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCN1 ZINC000400685309 393600857 /nfs/dbraw/zinc/60/08/57/393600857.db2.gz XXCSKWSWZYQURK-XKGSQUFQSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@@H](CCNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263406 393686444 /nfs/dbraw/zinc/68/64/44/393686444.db2.gz ZEUFEDKGNARNQM-FUHWJXTLSA-N 1 3 290.451 2.617 10 0 CFAEHO Cc1cc(N2CC[NH2+]C(C)(C)C2)c2ccccc2n1 ZINC000212795486 397618462 /nfs/dbraw/zinc/61/84/62/397618462.db2.gz RDJXVCNGSKGMJN-UHFFFAOYSA-N 1 3 255.365 2.731 10 0 CFAEHO C[NH2+][C@H](C)Cc1ccc(OCCN2CCCCC2)cc1 ZINC000006852888 170249244 /nfs/dbraw/zinc/24/92/44/170249244.db2.gz OOXCCSGQAGHINY-OAHLLOKOSA-N 1 3 276.424 2.702 10 0 CFAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179658 171044017 /nfs/dbraw/zinc/04/40/17/171044017.db2.gz HLLVJDUVLBBDQM-INIZCTEOSA-N 1 3 295.858 2.613 10 0 CFAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179618 171044177 /nfs/dbraw/zinc/04/41/77/171044177.db2.gz CMGREOPSMIWNDP-INIZCTEOSA-N 1 3 295.858 2.613 10 0 CFAEHO NC[C@@H](c1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225353 171087691 /nfs/dbraw/zinc/08/76/91/171087691.db2.gz ITQRRJWQLLUFIZ-HNNXBMFYSA-N 1 3 293.480 2.556 10 0 CFAEHO [NH2+]=C1CCCN1C1CCN(Cc2ccccc2)CC1 ZINC000020443981 171205901 /nfs/dbraw/zinc/20/59/01/171205901.db2.gz RXMCPTVEFJBAAQ-UHFFFAOYSA-N 1 3 257.381 2.724 10 0 CFAEHO Cc1ccc(CN(C)[C@@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699117 172366585 /nfs/dbraw/zinc/36/65/85/172366585.db2.gz DTNZYGZWXXJESD-UKRRQHHQSA-N 1 3 250.386 2.927 10 0 CFAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032880 174029763 /nfs/dbraw/zinc/02/97/63/174029763.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 1 3 273.424 2.501 10 0 CFAEHO CN1CCCC[C@@H]1CC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032880 174029766 /nfs/dbraw/zinc/02/97/66/174029766.db2.gz HDDLXWWKRJAGFT-OAHLLOKOSA-N 1 3 273.424 2.501 10 0 CFAEHO NC[C@@H](c1ccsc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693849 174377776 /nfs/dbraw/zinc/37/77/76/174377776.db2.gz WSRCCYFMPPFNGO-INIZCTEOSA-N 1 3 293.480 2.698 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccc(O)cc2)C1 ZINC000040735915 174389145 /nfs/dbraw/zinc/38/91/45/174389145.db2.gz QHNUSNYQGXYVTC-GDBMZVCRSA-N 1 3 276.424 2.645 10 0 CFAEHO CCCN(CCCSC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747575 174392674 /nfs/dbraw/zinc/39/26/74/174392674.db2.gz ALUODILXRYBMSY-PBWFPOADSA-N 1 3 256.459 2.735 10 0 CFAEHO COc1ccccc1C[C@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749444 174393538 /nfs/dbraw/zinc/39/35/38/174393538.db2.gz UHMTVZAMTPDOBS-WWTUQBGBSA-N 1 3 274.408 2.580 10 0 CFAEHO CC[C@@H](c1ccc(O)cc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749319 174393741 /nfs/dbraw/zinc/39/37/41/174393741.db2.gz WLJBAZCBWJFVRC-HUORLRHWSA-N 1 3 260.381 2.797 10 0 CFAEHO CCC1CCC(CN)([N@H+](C)C2CCN(CC)CC2)CC1 ZINC000042615745 174828802 /nfs/dbraw/zinc/82/88/02/174828802.db2.gz MYJAGBOTXZIKBQ-UHFFFAOYSA-N 1 3 281.488 2.700 10 0 CFAEHO CCC1CCC(CN)([N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000042615745 174828804 /nfs/dbraw/zinc/82/88/04/174828804.db2.gz MYJAGBOTXZIKBQ-UHFFFAOYSA-N 1 3 281.488 2.700 10 0 CFAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390169 175033867 /nfs/dbraw/zinc/03/38/67/175033867.db2.gz MLRXOCGXZXFDBJ-OAHLLOKOSA-N 1 3 299.821 2.507 10 0 CFAEHO CC(C)N1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390349 175033938 /nfs/dbraw/zinc/03/39/38/175033938.db2.gz ZPHCUOUCMACACS-HNNXBMFYSA-N 1 3 299.821 2.505 10 0 CFAEHO c1cc2c(s1)CCN(CCC[C@H]1CCC[NH2+]C1)C2 ZINC000043591721 175073822 /nfs/dbraw/zinc/07/38/22/175073822.db2.gz YVTDDOOBJBAPEC-CYBMUJFWSA-N 1 3 264.438 2.886 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]C)c2ccc(C)cc2C)CC1 ZINC000043805344 175107396 /nfs/dbraw/zinc/10/73/96/175107396.db2.gz LMIPSRGEADRWOX-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CCC[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)cc1 ZINC000043818506 175112816 /nfs/dbraw/zinc/11/28/16/175112816.db2.gz AXSKLZUKWDKXBF-GOSISDBHSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)cc1C ZINC000043818397 175112992 /nfs/dbraw/zinc/11/29/92/175112992.db2.gz XDMKZEGDLGSJAJ-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818405 175113070 /nfs/dbraw/zinc/11/30/70/175113070.db2.gz AJNVEHSOZKPVDA-SJLPKXTDSA-N 1 3 289.467 2.672 10 0 CFAEHO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818411 175113185 /nfs/dbraw/zinc/11/31/85/175113185.db2.gz AJNVEHSOZKPVDA-WMZOPIPTSA-N 1 3 289.467 2.672 10 0 CFAEHO C[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C(C)C)cc1 ZINC000043818223 175113219 /nfs/dbraw/zinc/11/32/19/175113219.db2.gz JWROMHQSFLWJSE-GOSISDBHSA-N 1 3 289.467 2.708 10 0 CFAEHO CCOc1ccc([C@H](C)[NH2+]C)cc1CN(C)CC ZINC000043820226 175113689 /nfs/dbraw/zinc/11/36/89/175113689.db2.gz FAYATGTYWCLTEX-LBPRGKRZSA-N 1 3 250.386 2.817 10 0 CFAEHO CCN(Cc1cc([C@H](C)[NH2+]C)ccc1OC)C1CC1 ZINC000043821579 175114556 /nfs/dbraw/zinc/11/45/56/175114556.db2.gz RVOMFDSKKNZSGW-LBPRGKRZSA-N 1 3 262.397 2.960 10 0 CFAEHO CCCN(C)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043886004 175117042 /nfs/dbraw/zinc/11/70/42/175117042.db2.gz MVCPBNPBKOLUMO-GFCCVEGCSA-N 1 3 250.386 2.817 10 0 CFAEHO CCC[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000043897150 175120142 /nfs/dbraw/zinc/12/01/42/175120142.db2.gz TZGKDTPKNVJRQE-GOSISDBHSA-N 1 3 289.467 2.753 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN2CC[C@@H](C)C2)c1 ZINC000043908448 175123487 /nfs/dbraw/zinc/12/34/87/175123487.db2.gz JGLMPPKRFQKUEG-CHWSQXEVSA-N 1 3 262.397 2.817 10 0 CFAEHO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965580 175126913 /nfs/dbraw/zinc/12/69/13/175126913.db2.gz WHBVBYXMFWVCMT-HOTGVXAUSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965718 175127062 /nfs/dbraw/zinc/12/70/62/175127062.db2.gz ZXOIDKOYNOQZJX-JKSUJKDBSA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965479 175127117 /nfs/dbraw/zinc/12/71/17/175127117.db2.gz BIHSFGNXEQOOLX-HOTGVXAUSA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965481 175127207 /nfs/dbraw/zinc/12/72/07/175127207.db2.gz BIHSFGNXEQOOLX-HZPDHXFCSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC(CC)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1NC ZINC000043977018 175133730 /nfs/dbraw/zinc/13/37/30/175133730.db2.gz YMCLIGFRARCTDS-LSDHHAIUSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC(CC)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1NC ZINC000043977018 175133731 /nfs/dbraw/zinc/13/37/31/175133731.db2.gz YMCLIGFRARCTDS-LSDHHAIUSA-N 1 3 256.434 2.654 10 0 CFAEHO CC[NH2+][C@@H](CN(CCN(C)C)CC(C)C)c1ccccc1 ZINC000043982150 175133990 /nfs/dbraw/zinc/13/39/90/175133990.db2.gz ZZLXPYHMUIUCJD-SFHVURJKSA-N 1 3 291.483 2.857 10 0 CFAEHO C[NH2+][C@@H](CN(CCN(C)C)CC(C)C)c1ccc(C)cc1 ZINC000043981962 175134350 /nfs/dbraw/zinc/13/43/50/175134350.db2.gz LSVUUFSRXWLBHP-SFHVURJKSA-N 1 3 291.483 2.775 10 0 CFAEHO C[C@H](Cc1cccs1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071271965 176104865 /nfs/dbraw/zinc/10/48/65/176104865.db2.gz DEGGCTBWVLNLRG-ODWCKFRGSA-N 1 3 250.411 2.633 10 0 CFAEHO C[C@H](Cc1cccs1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071271965 176104866 /nfs/dbraw/zinc/10/48/66/176104866.db2.gz DEGGCTBWVLNLRG-ODWCKFRGSA-N 1 3 250.411 2.633 10 0 CFAEHO C[C@H](Cc1cccs1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271965 176104867 /nfs/dbraw/zinc/10/48/67/176104867.db2.gz DEGGCTBWVLNLRG-ODWCKFRGSA-N 1 3 250.411 2.633 10 0 CFAEHO C[N@H+](CCNC1=NC2(CCCC2)CS1)C1CCCC1 ZINC000071377744 176142797 /nfs/dbraw/zinc/14/27/97/176142797.db2.gz GXMWOQSRQKPFKK-UHFFFAOYSA-N 1 3 281.469 2.866 10 0 CFAEHO C[N@@H+](CCNC1=NC2(CCCC2)CS1)C1CCCC1 ZINC000071377744 176142798 /nfs/dbraw/zinc/14/27/98/176142798.db2.gz GXMWOQSRQKPFKK-UHFFFAOYSA-N 1 3 281.469 2.866 10 0 CFAEHO Cc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(CN)C1)CC2 ZINC000311974465 270289233 /nfs/dbraw/zinc/28/92/33/270289233.db2.gz LMSMJIVNCRLIQU-KBRIMQKVSA-N 1 3 258.409 2.899 10 0 CFAEHO Cc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(CN)C1)CC2 ZINC000311974465 270289234 /nfs/dbraw/zinc/28/92/34/270289234.db2.gz LMSMJIVNCRLIQU-KBRIMQKVSA-N 1 3 258.409 2.899 10 0 CFAEHO CCN(CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531160 279165404 /nfs/dbraw/zinc/16/54/04/279165404.db2.gz OIYVRLCHUMXZBZ-QZTJIDSGSA-N 1 3 289.467 2.801 10 0 CFAEHO CC(C)CCN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197846 519651047 /nfs/dbraw/zinc/65/10/47/519651047.db2.gz AKPDGGXZTZQQOU-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCC[C@@H](C)C2)CCOCC1 ZINC000052180797 519719988 /nfs/dbraw/zinc/71/99/88/519719988.db2.gz UXQOJTGCKMKEKD-OAHLLOKOSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CCCSC)C1 ZINC000069434243 519853571 /nfs/dbraw/zinc/85/35/71/519853571.db2.gz XVOKBMPJASPGPT-KGLIPLIRSA-N 1 3 258.475 2.840 10 0 CFAEHO CC[NH2+]CC1(CN2CCC(CC)CC2)CCOCC1 ZINC000052197889 519912501 /nfs/dbraw/zinc/91/25/01/519912501.db2.gz YKPUTRCYMQXKAE-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCN(CC[NH+](C)C)c1ccc(Cl)cc1CN ZINC000052857646 521658622 /nfs/dbraw/zinc/65/86/22/521658622.db2.gz IGGYOEOIQPZERE-UHFFFAOYSA-N 1 3 269.820 2.577 10 0 CFAEHO CC[C@@H](C)[N@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052444124 522064016 /nfs/dbraw/zinc/06/40/16/522064016.db2.gz SHLPYDULHYFBGR-GFCCVEGCSA-N 1 3 253.390 2.651 10 0 CFAEHO CC[C@@H](C)[N@@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052444124 522064026 /nfs/dbraw/zinc/06/40/26/522064026.db2.gz SHLPYDULHYFBGR-GFCCVEGCSA-N 1 3 253.390 2.651 10 0 CFAEHO CC(C)N(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180883 519615240 /nfs/dbraw/zinc/61/52/40/519615240.db2.gz BWTRBCPIYJXZAW-UHFFFAOYSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)CCN(C)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000051259746 519650595 /nfs/dbraw/zinc/65/05/95/519650595.db2.gz IVZNZECFRMPNMM-MRXNPFEDSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)NCC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181783 519719492 /nfs/dbraw/zinc/71/94/92/519719492.db2.gz KTFNFSWKIFDVRP-AWEZNQCLSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)NCC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181783 519719494 /nfs/dbraw/zinc/71/94/94/519719494.db2.gz KTFNFSWKIFDVRP-AWEZNQCLSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)[NH2+]CC1(CN(C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181783 519719496 /nfs/dbraw/zinc/71/94/96/519719496.db2.gz KTFNFSWKIFDVRP-AWEZNQCLSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCCCC2)CCOCC1 ZINC000052180897 519743021 /nfs/dbraw/zinc/74/30/21/519743021.db2.gz QESORLRFRZIQPL-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CC(C)C[NH2+]CCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000052380756 519743345 /nfs/dbraw/zinc/74/33/45/519743345.db2.gz ZMSPNYITAFDJTA-HUUCEWRRSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)C[NH2+]Cc1occc1CN1CC[C@H](C)C1 ZINC000052484701 519749337 /nfs/dbraw/zinc/74/93/37/519749337.db2.gz VVBMWLMSIYDILH-ZDUSSCGKSA-N 1 3 250.386 2.867 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC(C)CC2)CCOCC1 ZINC000052180630 519910228 /nfs/dbraw/zinc/91/02/28/519910228.db2.gz BNVQGAJLXFUQQR-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CC[NH2+]CCC[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418221 519919730 /nfs/dbraw/zinc/91/97/30/519919730.db2.gz FBIRSAGXWARTIP-OAHLLOKOSA-N 1 3 293.430 2.726 10 0 CFAEHO CCNC[C@@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010410 519950798 /nfs/dbraw/zinc/95/07/98/519950798.db2.gz CNVILRANSLOECY-SIGVMEELSA-N 1 3 262.441 2.887 10 0 CFAEHO CCNC[C@@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010410 519950805 /nfs/dbraw/zinc/95/08/05/519950805.db2.gz CNVILRANSLOECY-SIGVMEELSA-N 1 3 262.441 2.887 10 0 CFAEHO CCNC[C@H]1CC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010412 519975743 /nfs/dbraw/zinc/97/57/43/519975743.db2.gz CNVILRANSLOECY-CWJHNBGESA-N 1 3 262.441 2.887 10 0 CFAEHO CCNC[C@H]1CC[N@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000053010412 519975750 /nfs/dbraw/zinc/97/57/50/519975750.db2.gz CNVILRANSLOECY-CWJHNBGESA-N 1 3 262.441 2.887 10 0 CFAEHO CCNCc1ccoc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420571 520013925 /nfs/dbraw/zinc/01/39/25/520013925.db2.gz LOGYCMYXFRRXOU-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCc1ccoc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420571 520013930 /nfs/dbraw/zinc/01/39/30/520013930.db2.gz LOGYCMYXFRRXOU-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCC[NH2+][C@H](CCC)CN1CCN([C@@H](C)CC)CC1 ZINC000055065018 520070207 /nfs/dbraw/zinc/07/02/07/520070207.db2.gz CHVOLQAESPCSFC-JKSUJKDBSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC(C)(C)N(C)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429391 521309466 /nfs/dbraw/zinc/30/94/66/521309466.db2.gz NLPHNDLERPUERQ-LBPRGKRZSA-N 1 3 277.412 2.593 10 0 CFAEHO CCC[N@H+](C)CCOc1ccccc1CNC(C)C ZINC000052444496 521484258 /nfs/dbraw/zinc/48/42/58/521484258.db2.gz XFONLPUEDFTQHS-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CCC[N@@H+](C)CCOc1ccccc1CNC(C)C ZINC000052444496 521484268 /nfs/dbraw/zinc/48/42/68/521484268.db2.gz XFONLPUEDFTQHS-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CCc1ccccc1[C@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000052203703 521952896 /nfs/dbraw/zinc/95/28/96/521952896.db2.gz MJRCCTIOFCHKBG-KRWDZBQOSA-N 1 3 289.467 2.665 10 0 CFAEHO C[NH2+]CCC[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418948 521999753 /nfs/dbraw/zinc/99/97/53/521999753.db2.gz YDZVPNCMAKSGJF-INIZCTEOSA-N 1 3 275.440 2.505 10 0 CFAEHO CNCc1oc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000052373525 522160659 /nfs/dbraw/zinc/16/06/59/522160659.db2.gz YENPHMFHLWGXIP-YPMHNXCESA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1oc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000052373525 522160671 /nfs/dbraw/zinc/16/06/71/522160671.db2.gz YENPHMFHLWGXIP-YPMHNXCESA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1oc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000052420956 522162356 /nfs/dbraw/zinc/16/23/56/522162356.db2.gz CXXQXVFNVORKDN-VXGBXAGGSA-N 1 3 250.386 2.785 10 0 CFAEHO CC[C@H](C[NH2+]CC(C)C)OCCN1CCCCC1 ZINC000052670709 522194804 /nfs/dbraw/zinc/19/48/04/522194804.db2.gz FMFDJPKAGUQOPB-OAHLLOKOSA-N 1 3 256.434 2.513 10 0 CFAEHO CN[C@@H](C)c1ccccc1OCCC[NH+]1CCCC1 ZINC000049331907 522338428 /nfs/dbraw/zinc/33/84/28/522338428.db2.gz HLMWRERAEPMXDD-AWEZNQCLSA-N 1 3 262.397 2.832 10 0 CFAEHO CN(CCC[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000049332246 522772021 /nfs/dbraw/zinc/77/20/21/522772021.db2.gz PBEGUZRVGAHXNG-UHFFFAOYSA-N 1 3 275.440 2.588 10 0 CFAEHO CN(CCCNCCC[NH+]1CCCC1)c1ccccc1 ZINC000049332246 522772026 /nfs/dbraw/zinc/77/20/26/522772026.db2.gz PBEGUZRVGAHXNG-UHFFFAOYSA-N 1 3 275.440 2.588 10 0 CFAEHO CC[C@@H]1CCC[N@H+](Cc2cc(C)c(CNC)o2)C1 ZINC000052479931 523248551 /nfs/dbraw/zinc/24/85/51/523248551.db2.gz BOEKPUJKYXGNGB-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@@H]1CCC[N@@H+](Cc2cc(C)c(CNC)o2)C1 ZINC000052479931 523248557 /nfs/dbraw/zinc/24/85/57/523248557.db2.gz BOEKPUJKYXGNGB-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO CN1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000361886468 523780571 /nfs/dbraw/zinc/78/05/71/523780571.db2.gz LCJGPBNSOUBXAL-HUUCEWRRSA-N 1 3 282.472 2.638 10 0 CFAEHO C[C@@H](CC[NH+](C)C)NC1=NC[C@H](c2ccccc2)S1 ZINC000049559252 524474632 /nfs/dbraw/zinc/47/46/32/524474632.db2.gz QGPFEUFEPSERRJ-GXTWGEPZSA-N 1 3 277.437 2.760 10 0 CFAEHO c1ccc2c(c1)nccc2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334997352 526515306 /nfs/dbraw/zinc/51/53/06/526515306.db2.gz YSMAZOLVIJWEAN-KRWDZBQOSA-N 1 3 267.376 2.815 10 0 CFAEHO Cc1oc(COCCC[NH+](C)C)cc1CNC(C)C ZINC000052672350 526774264 /nfs/dbraw/zinc/77/42/64/526774264.db2.gz KBDSGIRVYZOMBW-UHFFFAOYSA-N 1 3 268.401 2.554 10 0 CFAEHO NCCC[N@H+](CCCN1CCCC1)C1CCCCCC1 ZINC000049332095 527178848 /nfs/dbraw/zinc/17/88/48/527178848.db2.gz HUFRBZGRGCXPQN-UHFFFAOYSA-N 1 3 281.488 2.846 10 0 CFAEHO NCCC[N@@H+](CCCN1CCCC1)C1CCCCCC1 ZINC000049332095 527178853 /nfs/dbraw/zinc/17/88/53/527178853.db2.gz HUFRBZGRGCXPQN-UHFFFAOYSA-N 1 3 281.488 2.846 10 0 CFAEHO [NH3+]Cc1ccoc1CO[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702302 527262274 /nfs/dbraw/zinc/26/22/74/527262274.db2.gz POGIJRZOZBUKOQ-INIZCTEOSA-N 1 3 286.375 2.529 10 0 CFAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000396468775 574355516 /nfs/dbraw/zinc/35/55/16/574355516.db2.gz VTFNHYIZJQWSKT-USXIJHARSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000396468775 574355517 /nfs/dbraw/zinc/35/55/17/574355517.db2.gz VTFNHYIZJQWSKT-USXIJHARSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468775 574355519 /nfs/dbraw/zinc/35/55/19/574355519.db2.gz VTFNHYIZJQWSKT-USXIJHARSA-N 1 3 288.460 2.602 10 0 CFAEHO CC[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](CC)O1 ZINC000398567458 574368698 /nfs/dbraw/zinc/36/86/98/574368698.db2.gz OLSTZQLIXDVTPW-OQVBHOJDSA-N 1 3 280.456 2.797 10 0 CFAEHO CC[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](CC)O1 ZINC000398567462 574368700 /nfs/dbraw/zinc/36/87/00/574368700.db2.gz OLSTZQLIXDVTPW-SLUKUZTOSA-N 1 3 280.456 2.797 10 0 CFAEHO CN1CCC2(CC1)C[C@@H]([NH3+])c1cc(Cl)ccc1O2 ZINC000082509376 178076155 /nfs/dbraw/zinc/07/61/55/178076155.db2.gz RZXUHGJGRZAIJR-GFCCVEGCSA-N 1 3 266.772 2.587 10 0 CFAEHO C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000171050887 348067980 /nfs/dbraw/zinc/06/79/80/348067980.db2.gz HKYHFRUGRQFQJA-XSVZSIDJSA-N 1 3 288.435 2.526 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846862 179356051 /nfs/dbraw/zinc/35/60/51/179356051.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 1 3 269.477 2.558 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846862 179356053 /nfs/dbraw/zinc/35/60/53/179356053.db2.gz FKOLIZJPKDUMEW-MRXNPFEDSA-N 1 3 269.477 2.558 10 0 CFAEHO CC(C)C[N@H+](C(C)C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848105 179356442 /nfs/dbraw/zinc/35/64/42/179356442.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 1 3 283.504 2.945 10 0 CFAEHO CC(C)C[N@@H+](C(C)C)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086848105 179356443 /nfs/dbraw/zinc/35/64/43/179356443.db2.gz IQNFWVDAHFYRIF-QGZVFWFLSA-N 1 3 283.504 2.945 10 0 CFAEHO CCCN1CCC[C@](CN)([N@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357055 /nfs/dbraw/zinc/35/70/55/179357055.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 1 3 283.504 2.946 10 0 CFAEHO CCCN1CCC[C@](CN)([N@@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848091 179357057 /nfs/dbraw/zinc/35/70/57/179357057.db2.gz PIJNRERQUOWKOP-IRXDYDNUSA-N 1 3 283.504 2.946 10 0 CFAEHO CC(C)NCc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263409 539619648 /nfs/dbraw/zinc/61/96/48/539619648.db2.gz ARJUSCYYURMIAC-UHFFFAOYSA-N 1 3 261.394 2.767 10 0 CFAEHO CC(C)C[NH2+]C[C@]1(CN2CCCCC2)CCCOC1 ZINC000104324919 185968696 /nfs/dbraw/zinc/96/86/96/185968696.db2.gz XHIDODBTLIBQKZ-INIZCTEOSA-N 1 3 268.445 2.515 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842269 355604018 /nfs/dbraw/zinc/60/40/18/355604018.db2.gz XWNNZTTVLCJZFI-ZFWWWQNUSA-N 1 3 262.397 2.500 10 0 CFAEHO Cc1cc(NCC[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000110798666 375831962 /nfs/dbraw/zinc/83/19/62/375831962.db2.gz NSICKDOFAHKYGW-CYBMUJFWSA-N 1 3 255.365 2.955 10 0 CFAEHO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133927650 377968394 /nfs/dbraw/zinc/96/83/94/377968394.db2.gz OFMLEPYMCWMSOG-PBHICJAKSA-N 1 3 287.451 2.715 10 0 CFAEHO CC[C@@H](C[NH2+][C@@H]1CCCNCC1)CC(F)(F)F ZINC000402633024 380889351 /nfs/dbraw/zinc/88/93/51/380889351.db2.gz YTBMPCMCVMBUCX-GHMZBOCLSA-N 1 3 252.324 2.697 10 0 CFAEHO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCNC1 ZINC000575859735 382801663 /nfs/dbraw/zinc/80/16/63/382801663.db2.gz DLSATJIWAZYTOQ-YPMHNXCESA-N 1 3 260.372 2.790 10 0 CFAEHO Cc1ccc2cc(CN3C[C@H](C)[C@@H](C[NH3+])C3)ccc2n1 ZINC000634999071 383455689 /nfs/dbraw/zinc/45/56/89/383455689.db2.gz PQAZIMRLKYRUFE-LRDDRELGSA-N 1 3 269.392 2.570 10 0 CFAEHO NC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261650332 383537593 /nfs/dbraw/zinc/53/75/93/383537593.db2.gz GHFDKBJVEWDORM-MOPGFXCFSA-N 1 3 280.415 2.903 10 0 CFAEHO NC[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261650332 383537598 /nfs/dbraw/zinc/53/75/98/383537598.db2.gz GHFDKBJVEWDORM-MOPGFXCFSA-N 1 3 280.415 2.903 10 0 CFAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381576500 393564269 /nfs/dbraw/zinc/56/42/69/393564269.db2.gz IQVUQDPNRRFWRO-RWMBFGLXSA-N 1 3 260.372 2.871 10 0 CFAEHO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1C ZINC000045171439 393569117 /nfs/dbraw/zinc/56/91/17/393569117.db2.gz IBMUHBJZCRLPCM-SWLSCSKDSA-N 1 3 290.455 2.655 10 0 CFAEHO Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000229099919 393776619 /nfs/dbraw/zinc/77/66/19/393776619.db2.gz CURLJGXSNOBPSX-OCCSQVGLSA-N 1 3 269.392 2.964 10 0 CFAEHO Cc1cc(N2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000044559428 134910080 /nfs/dbraw/zinc/91/00/80/134910080.db2.gz UERDRWLBKRHRNO-CYBMUJFWSA-N 1 3 255.365 2.861 10 0 CFAEHO CCO[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034507 286333422 /nfs/dbraw/zinc/33/34/22/286333422.db2.gz OKNWPXKSTDQONM-ARFHVFGLSA-N 1 3 280.456 2.656 10 0 CFAEHO C[C@@H](c1ccccn1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261780831 287153727 /nfs/dbraw/zinc/15/37/27/287153727.db2.gz PKNOWOPAXOGEND-UAGQMJEPSA-N 1 3 281.403 2.817 10 0 CFAEHO C[N@H+](CCC(=O)Nc1ccccc1CN)C1CCCCC1 ZINC000022216988 171375654 /nfs/dbraw/zinc/37/56/54/171375654.db2.gz KMDMDHZHUNWWIW-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO C[N@@H+](CCC(=O)Nc1ccccc1CN)C1CCCCC1 ZINC000022216988 171375656 /nfs/dbraw/zinc/37/56/56/171375656.db2.gz KMDMDHZHUNWWIW-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO CCCN1CCN([C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022563298 171391182 /nfs/dbraw/zinc/39/11/82/171391182.db2.gz VDRJNYKIIWLHBB-MSOLQXFVSA-N 1 3 289.467 2.739 10 0 CFAEHO [NH3+]C[C@@H](CN1CCc2ccccc2C1)c1ccccc1 ZINC000035731337 172381282 /nfs/dbraw/zinc/38/12/82/172381282.db2.gz TZORIVMQWQYMKU-SFHVURJKSA-N 1 3 266.388 2.787 10 0 CFAEHO NC[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731337 172381283 /nfs/dbraw/zinc/38/12/83/172381283.db2.gz TZORIVMQWQYMKU-SFHVURJKSA-N 1 3 266.388 2.787 10 0 CFAEHO NC[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035731337 172381285 /nfs/dbraw/zinc/38/12/85/172381285.db2.gz TZORIVMQWQYMKU-SFHVURJKSA-N 1 3 266.388 2.787 10 0 CFAEHO COc1cccc(CN(CCC[NH3+])C2CCCC2)c1 ZINC000037299648 173104556 /nfs/dbraw/zinc/10/45/56/173104556.db2.gz AWUUDTIZVZNRDT-UHFFFAOYSA-N 1 3 262.397 2.789 10 0 CFAEHO COc1cccc(C[N@H+](CCCN)C2CCCC2)c1 ZINC000037299648 173104559 /nfs/dbraw/zinc/10/45/59/173104559.db2.gz AWUUDTIZVZNRDT-UHFFFAOYSA-N 1 3 262.397 2.789 10 0 CFAEHO COc1cccc(C[N@@H+](CCCN)C2CCCC2)c1 ZINC000037299648 173104564 /nfs/dbraw/zinc/10/45/64/173104564.db2.gz AWUUDTIZVZNRDT-UHFFFAOYSA-N 1 3 262.397 2.789 10 0 CFAEHO CC[N@H+](Cc1ccccc1)[C@@H](CN)CCSC ZINC000037562380 173272863 /nfs/dbraw/zinc/27/28/63/173272863.db2.gz OKBJTXCGOIHFDW-CQSZACIVSA-N 1 3 252.427 2.589 10 0 CFAEHO CC[N@@H+](Cc1ccccc1)[C@@H](CN)CCSC ZINC000037562380 173272865 /nfs/dbraw/zinc/27/28/65/173272865.db2.gz OKBJTXCGOIHFDW-CQSZACIVSA-N 1 3 252.427 2.589 10 0 CFAEHO CC(C)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622204 174354952 /nfs/dbraw/zinc/35/49/52/174354952.db2.gz IJGDNXORJXBUFT-QGZVFWFLSA-N 1 3 260.425 2.939 10 0 CFAEHO CC[NH+]1CCC([C@@H](C)NCc2cccc3c2OCO3)CC1 ZINC000040667131 174366483 /nfs/dbraw/zinc/36/64/83/174366483.db2.gz JVIWIASVWYCHGA-CYBMUJFWSA-N 1 3 290.407 2.625 10 0 CFAEHO CCOC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)CC1 ZINC000040678513 174374686 /nfs/dbraw/zinc/37/46/86/174374686.db2.gz UUSFCOUZMJXTGH-SQWLQELKSA-N 1 3 268.445 2.641 10 0 CFAEHO COc1ccccc1CN(CCC[NH3+])CC(C)C ZINC000043457238 175049942 /nfs/dbraw/zinc/04/99/42/175049942.db2.gz IVCHNLRJICCOCC-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO CCCC[C@H](CC)CN1CCN([C@H](CC)CC[NH3+])CC1 ZINC000043454554 175050114 /nfs/dbraw/zinc/05/01/14/175050114.db2.gz DJIBFAZJDHSEGB-DLBZAZTESA-N 1 3 283.504 2.948 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]C)c2cc(C)ccc2C)CC1 ZINC000043805346 175107571 /nfs/dbraw/zinc/10/75/71/175107571.db2.gz JMLYQWMKCRXSAW-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO CCCN1CCN([C@@H](C)[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805463 175107686 /nfs/dbraw/zinc/10/76/86/175107686.db2.gz DWRNPFLOEOMFSP-FUHWJXTLSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCN(CCC)CC1 ZINC000043805548 175107695 /nfs/dbraw/zinc/10/76/95/175107695.db2.gz LVIZNGFVRLICTC-HOTGVXAUSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCN1CCN([C@H](C)[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805466 175107835 /nfs/dbraw/zinc/10/78/35/175107835.db2.gz DWRNPFLOEOMFSP-SJLPKXTDSA-N 1 3 289.467 2.753 10 0 CFAEHO CCCN1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805300 175107920 /nfs/dbraw/zinc/10/79/20/175107920.db2.gz RVKSIFYZYIZAQD-IXDOHACOSA-N 1 3 295.515 2.817 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815416 175112295 /nfs/dbraw/zinc/11/22/95/175112295.db2.gz QOXMTMQDNDIFKM-DLBZAZTESA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043897048 175119932 /nfs/dbraw/zinc/11/99/32/175119932.db2.gz ALIFXOLZGLSVMQ-SJLPKXTDSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043896926 175120074 /nfs/dbraw/zinc/12/00/74/175120074.db2.gz OFEONJXLVBSKNZ-IKGGRYGDSA-N 1 3 295.515 2.815 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965568 175126916 /nfs/dbraw/zinc/12/69/16/175126916.db2.gz OQNUOIBDTQHFFQ-OAGGEKHMSA-N 1 3 281.488 2.569 10 0 CFAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965696 175127225 /nfs/dbraw/zinc/12/72/25/175127225.db2.gz FBIBQPDUXPYLAB-CABCVRRESA-N 1 3 269.477 2.569 10 0 CFAEHO CCC[NH2+][C@H](CC)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965698 175127470 /nfs/dbraw/zinc/12/74/70/175127470.db2.gz FBIBQPDUXPYLAB-HUUCEWRRSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967937 175129006 /nfs/dbraw/zinc/12/90/06/175129006.db2.gz LCVLSDJNXQTRIN-MSOLQXFVSA-N 1 3 293.499 2.715 10 0 CFAEHO CC[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044133025 175145446 /nfs/dbraw/zinc/14/54/46/175145446.db2.gz PYVHIOUBRDROGJ-IAGOWNOFSA-N 1 3 276.424 2.525 10 0 CFAEHO O[C@H]1CCCCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162302 175147307 /nfs/dbraw/zinc/14/73/07/175147307.db2.gz SLEIYQBAVQAUOF-IRXDYDNUSA-N 1 3 280.456 2.630 10 0 CFAEHO CCOc1ccccc1[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044512051 175188126 /nfs/dbraw/zinc/18/81/26/175188126.db2.gz IVDHCHNIDACASY-CYBMUJFWSA-N 1 3 262.397 2.817 10 0 CFAEHO CC[NH+]1CCC(CN[C@H]2CCOc3ccccc32)CC1 ZINC000044517575 175190494 /nfs/dbraw/zinc/19/04/94/175190494.db2.gz OCXGFYZMUIYFAG-INIZCTEOSA-N 1 3 274.408 2.832 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747330 175243293 /nfs/dbraw/zinc/24/32/93/175243293.db2.gz FBPSHUPMWPDWEY-UGSOOPFHSA-N 1 3 286.419 2.844 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747330 175243294 /nfs/dbraw/zinc/24/32/94/175243294.db2.gz FBPSHUPMWPDWEY-UGSOOPFHSA-N 1 3 286.419 2.844 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000044806130 175256558 /nfs/dbraw/zinc/25/65/58/175256558.db2.gz NEXLMHFGRKCHDO-OAHLLOKOSA-N 1 3 297.487 2.522 10 0 CFAEHO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c1C ZINC000045167177 175319563 /nfs/dbraw/zinc/31/95/63/175319563.db2.gz RNDPVFKNGHMQJZ-GFCCVEGCSA-N 1 3 280.460 2.758 10 0 CFAEHO Cc1noc(C)c1CNCCCC[N@@H+](C)C(C)C ZINC000070141802 175873692 /nfs/dbraw/zinc/87/36/92/175873692.db2.gz LUCXTHUKJVHPHA-UHFFFAOYSA-N 1 3 253.390 2.501 10 0 CFAEHO Cc1noc(C)c1CNCCCC[N@H+](C)C(C)C ZINC000070141802 175873694 /nfs/dbraw/zinc/87/36/94/175873694.db2.gz LUCXTHUKJVHPHA-UHFFFAOYSA-N 1 3 253.390 2.501 10 0 CFAEHO CC(C)[NH+](CCNC1=NC[C@H](C2CC2)S1)C(C)C ZINC000071306671 176115895 /nfs/dbraw/zinc/11/58/95/176115895.db2.gz TYKFXVRBGGCGIV-CYBMUJFWSA-N 1 3 269.458 2.576 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H]1CCCCO1 ZINC000262023950 278278312 /nfs/dbraw/zinc/27/83/12/278278312.db2.gz YWTFGHZLDFZACL-KSYCFECVSA-N 1 3 260.381 2.678 10 0 CFAEHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]([NH+](C)C)C1 ZINC000185295141 281308398 /nfs/dbraw/zinc/30/83/98/281308398.db2.gz OJJJXIQQJYMEEU-CQSZACIVSA-N 1 3 269.392 2.992 10 0 CFAEHO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCCNC1 ZINC000562958665 290085993 /nfs/dbraw/zinc/08/59/93/290085993.db2.gz JYKQZSIASLYDDR-JSGCOSHPSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000562958665 290085995 /nfs/dbraw/zinc/08/59/95/290085995.db2.gz JYKQZSIASLYDDR-JSGCOSHPSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](NCCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089552 290346926 /nfs/dbraw/zinc/34/69/26/290346926.db2.gz OIPCLWDMJPSJDQ-KBPBESRZSA-N 1 3 264.438 2.756 10 0 CFAEHO C[C@H]([NH2+]CCSc1ccccc1)[C@H]1CCCNC1 ZINC000566089552 290346927 /nfs/dbraw/zinc/34/69/27/290346927.db2.gz OIPCLWDMJPSJDQ-KBPBESRZSA-N 1 3 264.438 2.756 10 0 CFAEHO CC(C)CN(CCN(C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503301 519716185 /nfs/dbraw/zinc/71/61/85/519716185.db2.gz LIXBWTGBBXJACU-HNNXBMFYSA-N 1 3 271.493 2.530 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052503246 519716775 /nfs/dbraw/zinc/71/67/75/519716775.db2.gz MRIKFLORLLUXNG-INIZCTEOSA-N 1 3 271.493 2.529 10 0 CFAEHO CC(C)NCC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181741 519719550 /nfs/dbraw/zinc/71/95/50/519719550.db2.gz NGGHOUSCNCRBCT-OAHLLOKOSA-N 1 3 270.461 2.758 10 0 CFAEHO CC(C)NCC1(C[N@@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181741 519719552 /nfs/dbraw/zinc/71/95/52/519719552.db2.gz NGGHOUSCNCRBCT-OAHLLOKOSA-N 1 3 270.461 2.758 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N1C[C@H](C)OC[C@H]1C ZINC000052476624 519743702 /nfs/dbraw/zinc/74/37/02/519743702.db2.gz BDLJDQYTGMMHSG-ZNMIVQPWSA-N 1 3 256.434 2.510 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+]1CCC[C@H]1C ZINC000052375842 520008617 /nfs/dbraw/zinc/00/86/17/520008617.db2.gz AHCBCYSOSNSMGC-CQSZACIVSA-N 1 3 262.397 2.659 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+]1CCC[C@H]1C ZINC000052375842 520008626 /nfs/dbraw/zinc/00/86/26/520008626.db2.gz AHCBCYSOSNSMGC-CQSZACIVSA-N 1 3 262.397 2.659 10 0 CFAEHO CCNCc1ccoc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420572 520012498 /nfs/dbraw/zinc/01/24/98/520012498.db2.gz LOGYCMYXFRRXOU-STQMWFEESA-N 1 3 250.386 2.867 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383500 519342094 /nfs/dbraw/zinc/34/20/94/519342094.db2.gz PZGSJUCOYVKGPE-XOKHGSTOSA-N 1 3 275.440 2.697 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419174 519723877 /nfs/dbraw/zinc/72/38/77/519723877.db2.gz YXWBVOHVKNDUMR-ROUUACIJSA-N 1 3 288.435 2.590 10 0 CFAEHO CC(C)C[NH2+]CCCCCN1CCOC(C)(C)C1 ZINC000052481872 519743433 /nfs/dbraw/zinc/74/34/33/519743433.db2.gz HKRNADNOVTYBIG-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CC(C)C[NH2+]Cc1ccc(CN2CC[C@@H](C)C2)o1 ZINC000052484408 519747038 /nfs/dbraw/zinc/74/70/38/519747038.db2.gz BZHRPYAAVOHRQM-CYBMUJFWSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCN1CCC(N2Cc3ccccc3C2=[NH2+])CC1 ZINC000049557994 519844835 /nfs/dbraw/zinc/84/48/35/519844835.db2.gz NWAFGMTUHUMQGO-UHFFFAOYSA-N 1 3 257.381 2.702 10 0 CFAEHO CCC[NH+]1CCC(NC2=N[C@H](CC(C)C)CS2)CC1 ZINC000049559149 519846454 /nfs/dbraw/zinc/84/64/54/519846454.db2.gz GXWNATCNYCJZJJ-CQSZACIVSA-N 1 3 283.485 2.968 10 0 CFAEHO CCC1CC[NH+](CCOc2ccccc2CNC)CC1 ZINC000052346994 519859041 /nfs/dbraw/zinc/85/90/41/519859041.db2.gz GYTHBDPPUXBKID-UHFFFAOYSA-N 1 3 276.424 2.907 10 0 CFAEHO CCCNCC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197815 519910070 /nfs/dbraw/zinc/91/00/70/519910070.db2.gz WCFSZPKEYNFSNZ-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197815 519910076 /nfs/dbraw/zinc/91/00/76/519910076.db2.gz WCFSZPKEYNFSNZ-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[NH2+]CCCCCN1CCN([C@@H](C)CC)CC1 ZINC000055074422 519911644 /nfs/dbraw/zinc/91/16/44/519911644.db2.gz NMPFIFCHRNPNLF-INIZCTEOSA-N 1 3 269.477 2.572 10 0 CFAEHO CCNCC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181990 519914055 /nfs/dbraw/zinc/91/40/55/519914055.db2.gz GORRTLYEMVMMCM-DLBZAZTESA-N 1 3 294.483 2.905 10 0 CFAEHO CCNCC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181990 519914056 /nfs/dbraw/zinc/91/40/56/519914056.db2.gz GORRTLYEMVMMCM-DLBZAZTESA-N 1 3 294.483 2.905 10 0 CFAEHO CC[NH2+]Cc1coc(CN(CCOC)[C@H](C)CC)c1 ZINC000052547371 520018283 /nfs/dbraw/zinc/01/82/83/520018283.db2.gz IKZRRSPBIYPGFR-CYBMUJFWSA-N 1 3 268.401 2.636 10 0 CFAEHO CCN(CC1(C[NH2+]CC(C)C)CCOCC1)C(C)C ZINC000052181324 520938314 /nfs/dbraw/zinc/93/83/14/520938314.db2.gz FNWYWARJCGAYJP-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@](C)(CNC)c1ccccc1 ZINC000069239877 520957703 /nfs/dbraw/zinc/95/77/03/520957703.db2.gz YWSCKIAKUYAFIC-KRWDZBQOSA-N 1 3 260.425 2.896 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@](C)(CNC)c1ccccc1 ZINC000069239877 520957710 /nfs/dbraw/zinc/95/77/10/520957710.db2.gz YWSCKIAKUYAFIC-KRWDZBQOSA-N 1 3 260.425 2.896 10 0 CFAEHO CCN(CC1CC1)C[C@](C)(C[NH2+]C)c1ccccc1 ZINC000069239877 520957714 /nfs/dbraw/zinc/95/77/14/520957714.db2.gz YWSCKIAKUYAFIC-KRWDZBQOSA-N 1 3 260.425 2.896 10 0 CFAEHO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000053497550 521061046 /nfs/dbraw/zinc/06/10/46/521061046.db2.gz NWXFBLTYMNXBHO-LSDHHAIUSA-N 1 3 269.477 2.569 10 0 CFAEHO CCc1ccccc1[C@@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000052203702 521932531 /nfs/dbraw/zinc/93/25/31/521932531.db2.gz MJRCCTIOFCHKBG-QGZVFWFLSA-N 1 3 289.467 2.665 10 0 CFAEHO CNCC1(C[N@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197923 521966858 /nfs/dbraw/zinc/96/68/58/521966858.db2.gz BSZNRLMCGDGNLX-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CNCC1(C[N@@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197923 521966862 /nfs/dbraw/zinc/96/68/62/521966862.db2.gz BSZNRLMCGDGNLX-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000052376277 521998924 /nfs/dbraw/zinc/99/89/24/521998924.db2.gz OBMGIJXKEHCKAN-MRXNPFEDSA-N 1 3 289.467 2.814 10 0 CFAEHO C[NH2+]CCC[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419019 522000268 /nfs/dbraw/zinc/00/02/68/522000268.db2.gz NAAZOFBAQDEXIJ-AWEZNQCLSA-N 1 3 295.858 2.850 10 0 CFAEHO CNCc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000049331821 522111650 /nfs/dbraw/zinc/11/16/50/522111650.db2.gz IKCLBENTFNCHOD-UHFFFAOYSA-N 1 3 282.815 2.924 10 0 CFAEHO CNCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373067 522116664 /nfs/dbraw/zinc/11/66/64/522116664.db2.gz ZBSSYLSTOWWEFD-OAHLLOKOSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000052373067 522116674 /nfs/dbraw/zinc/11/66/74/522116674.db2.gz ZBSSYLSTOWWEFD-OAHLLOKOSA-N 1 3 270.376 2.989 10 0 CFAEHO CN(CCC[C@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764583 522786905 /nfs/dbraw/zinc/78/69/05/522786905.db2.gz KDJXFMFCFLURQC-OAHLLOKOSA-N 1 3 250.361 2.790 10 0 CFAEHO CC[C@H]1CCC[N@@H+]1CC1(CNC(C)C)CCOCC1 ZINC000052180412 523107903 /nfs/dbraw/zinc/10/79/03/523107903.db2.gz IWNFPRDPJBLLNN-HNNXBMFYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@H]1CCC[N@H+]1CC1(CNC(C)C)CCOCC1 ZINC000052180412 523107912 /nfs/dbraw/zinc/10/79/12/523107912.db2.gz IWNFPRDPJBLLNN-HNNXBMFYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@H]1CCCN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180412 523107922 /nfs/dbraw/zinc/10/79/22/523107922.db2.gz IWNFPRDPJBLLNN-HNNXBMFYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@H]1CO[C@@H](C)CN1CCCCC[NH2+]CC(C)C ZINC000052571160 523344315 /nfs/dbraw/zinc/34/43/15/523344315.db2.gz YRRWJCYLAONMKR-HOTGVXAUSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@H](C)C[N@H+](C)CCOc1ccccc1CNC ZINC000052454109 523866953 /nfs/dbraw/zinc/86/69/53/523866953.db2.gz WDIIPOGDVWDPQN-AWEZNQCLSA-N 1 3 264.413 2.763 10 0 CFAEHO CC[C@H](C)C[N@@H+](C)CCOc1ccccc1CNC ZINC000052454109 523866957 /nfs/dbraw/zinc/86/69/57/523866957.db2.gz WDIIPOGDVWDPQN-AWEZNQCLSA-N 1 3 264.413 2.763 10 0 CFAEHO C[C@@H]1CCCN(Cc2cc(C[NH3+])ccc2F)[C@@H]1C ZINC000050563680 524232412 /nfs/dbraw/zinc/23/24/12/524232412.db2.gz HYZQUDIMKCGOGP-VXGBXAGGSA-N 1 3 250.361 2.905 10 0 CFAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052380701 524456498 /nfs/dbraw/zinc/45/64/98/524456498.db2.gz KHHAAOZEWNMNMM-MELADBBJSA-N 1 3 256.434 2.652 10 0 CFAEHO C[C@@H](CCC[NH2+]C1CC1)N1CCN(c2ccccc2)CC1 ZINC000052417336 524458100 /nfs/dbraw/zinc/45/81/00/524458100.db2.gz IYOJLUNKTSTJGO-INIZCTEOSA-N 1 3 287.451 2.729 10 0 CFAEHO Cc1ccc(Cl)cc1NC(=O)CNCCCC[NH+](C)C ZINC000045697874 524741527 /nfs/dbraw/zinc/74/15/27/524741527.db2.gz ZOTLKLNLOCSSLO-UHFFFAOYSA-N 1 3 297.830 2.518 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@H]([NH3+])c1ccccc1 ZINC000049147237 524747163 /nfs/dbraw/zinc/74/71/63/524747163.db2.gz KGHNWBNNPPRBQC-CJNGLKHVSA-N 1 3 258.365 2.890 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205745 524747871 /nfs/dbraw/zinc/74/78/71/524747871.db2.gz GMAMQFCKSDJHQZ-KGLIPLIRSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@H](Cc1ccco1)NCC[C@@H]1CCCC[N@H+]1C ZINC000052205745 524747876 /nfs/dbraw/zinc/74/78/76/524747876.db2.gz GMAMQFCKSDJHQZ-KGLIPLIRSA-N 1 3 250.386 2.675 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000050563671 525639769 /nfs/dbraw/zinc/63/97/69/525639769.db2.gz UWDRSOYPCZCFEZ-UONOGXRCSA-N 1 3 289.423 2.594 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(CN)c1 ZINC000050563671 525639779 /nfs/dbraw/zinc/63/97/79/525639779.db2.gz UWDRSOYPCZCFEZ-UONOGXRCSA-N 1 3 289.423 2.594 10 0 CFAEHO Fc1cccc(CN2CCC(C[NH2+]C3CC3)CC2)c1 ZINC000053660084 526384226 /nfs/dbraw/zinc/38/42/26/526384226.db2.gz YKHLMAPMMSMYHC-UHFFFAOYSA-N 1 3 262.372 2.790 10 0 CFAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccc(Cl)cc1 ZINC000054629176 527147764 /nfs/dbraw/zinc/14/77/64/527147764.db2.gz VPVKNVUYNYPISJ-GOOCMWNKSA-N 1 3 264.800 2.837 10 0 CFAEHO NCc1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373077 527262003 /nfs/dbraw/zinc/26/20/03/527262003.db2.gz IWVWCWJWEMTFPF-HNNXBMFYSA-N 1 3 256.349 2.728 10 0 CFAEHO NCc1ccoc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373077 527262008 /nfs/dbraw/zinc/26/20/08/527262008.db2.gz IWVWCWJWEMTFPF-HNNXBMFYSA-N 1 3 256.349 2.728 10 0 CFAEHO c1csc([C@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000178979809 618280413 /nfs/dbraw/zinc/28/04/13/618280413.db2.gz NAQAITWTXZWUAF-CYBMUJFWSA-N 1 3 265.426 2.670 10 0 CFAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCOc2ccccc21 ZINC000227118649 623098191 /nfs/dbraw/zinc/09/81/91/623098191.db2.gz OOCKYVGIIUAGEP-AEGPPILISA-N 1 3 260.381 2.617 10 0 CFAEHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089148450 650829219 /nfs/dbraw/zinc/82/92/19/650829219.db2.gz LUMZPMLCUIDXBF-PXWWUCIGSA-N 1 3 254.324 2.743 10 0 CFAEHO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000251227453 650985614 /nfs/dbraw/zinc/98/56/14/650985614.db2.gz ABTWUJGSLRCXAH-VHRBIJSZSA-N 1 3 266.360 2.612 10 0 CFAEHO CC[N@@H+]1CC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763517 347756147 /nfs/dbraw/zinc/75/61/47/347756147.db2.gz WAURJWDRSZJOPE-AWEZNQCLSA-N 1 3 269.392 2.666 10 0 CFAEHO CC[N@H+]1CC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763517 347756149 /nfs/dbraw/zinc/75/61/49/347756149.db2.gz WAURJWDRSZJOPE-AWEZNQCLSA-N 1 3 269.392 2.666 10 0 CFAEHO CCN1CC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763517 347756150 /nfs/dbraw/zinc/75/61/50/347756150.db2.gz WAURJWDRSZJOPE-AWEZNQCLSA-N 1 3 269.392 2.666 10 0 CFAEHO Cc1ccc(OC[C@@H](C)N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818855 179348232 /nfs/dbraw/zinc/34/82/32/179348232.db2.gz PVHSENGPMZWTFL-CVEARBPZSA-N 1 3 276.424 2.836 10 0 CFAEHO Cc1ccc(OC[C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818855 179348234 /nfs/dbraw/zinc/34/82/34/179348234.db2.gz PVHSENGPMZWTFL-CVEARBPZSA-N 1 3 276.424 2.836 10 0 CFAEHO C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817212 179344326 /nfs/dbraw/zinc/34/43/26/179344326.db2.gz HPEJKIZAKWGUNP-IUODEOHRSA-N 1 3 250.361 2.961 10 0 CFAEHO C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817212 179344328 /nfs/dbraw/zinc/34/43/28/179344328.db2.gz HPEJKIZAKWGUNP-IUODEOHRSA-N 1 3 250.361 2.961 10 0 CFAEHO CCC[C@H](COC)[NH2+][C@@H]1CCCN(CCC)CC1 ZINC000086845537 179354364 /nfs/dbraw/zinc/35/43/64/179354364.db2.gz KIICBSLYZTXXMY-HUUCEWRRSA-N 1 3 256.434 2.656 10 0 CFAEHO CCC[C@H](COC)N[C@@H]1CCC[N@H+](CCC)CC1 ZINC000086845537 179354365 /nfs/dbraw/zinc/35/43/65/179354365.db2.gz KIICBSLYZTXXMY-HUUCEWRRSA-N 1 3 256.434 2.656 10 0 CFAEHO CCC[C@H](COC)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC000086845537 179354366 /nfs/dbraw/zinc/35/43/66/179354366.db2.gz KIICBSLYZTXXMY-HUUCEWRRSA-N 1 3 256.434 2.656 10 0 CFAEHO CCCN1CCC[C@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868527 179360484 /nfs/dbraw/zinc/36/04/84/179360484.db2.gz OUAXFIXISFKESY-KRWDZBQOSA-N 1 3 296.455 2.670 10 0 CFAEHO CCC[N@@H+]1CCC[C@](CC(=O)OCC)(N2CCCC2)CC1 ZINC000086868527 179360485 /nfs/dbraw/zinc/36/04/85/179360485.db2.gz OUAXFIXISFKESY-KRWDZBQOSA-N 1 3 296.455 2.670 10 0 CFAEHO CCC[N@H+]1CCC[C@](CC(=O)OCC)(N2CCCC2)CC1 ZINC000086868527 179360487 /nfs/dbraw/zinc/36/04/87/179360487.db2.gz OUAXFIXISFKESY-KRWDZBQOSA-N 1 3 296.455 2.670 10 0 CFAEHO CC(C)[NH2+]C[C@@H](CN)Cc1cccc2ccccc21 ZINC000725269342 539626806 /nfs/dbraw/zinc/62/68/06/539626806.db2.gz RWZWITADZHKMKB-CQSZACIVSA-N 1 3 256.393 2.955 10 0 CFAEHO [NH3+][C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1 ZINC000584600601 348684935 /nfs/dbraw/zinc/68/49/35/348684935.db2.gz PTJVENXUBXYLGL-QAQDUYKDSA-N 1 3 287.451 2.716 10 0 CFAEHO N[C@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303770 180130725 /nfs/dbraw/zinc/13/07/25/180130725.db2.gz QFCLGAXSDGIWMG-KURKYZTESA-N 1 3 264.372 2.916 10 0 CFAEHO N[C@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000091303770 180130727 /nfs/dbraw/zinc/13/07/27/180130727.db2.gz QFCLGAXSDGIWMG-KURKYZTESA-N 1 3 264.372 2.916 10 0 CFAEHO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000120451898 186900645 /nfs/dbraw/zinc/90/06/45/186900645.db2.gz QIZCVWWEWRRGDX-XEZPLFJOSA-N 1 3 262.397 2.686 10 0 CFAEHO CC1(C)CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)O1 ZINC000226429283 540726064 /nfs/dbraw/zinc/72/60/64/540726064.db2.gz PFWAIHMTYRGWBX-GOOCMWNKSA-N 1 3 280.456 2.797 10 0 CFAEHO CC(C)[NH+]1CCC(Oc2ccc(CN(C)C)cc2)CC1 ZINC000013613424 372035758 /nfs/dbraw/zinc/03/57/58/372035758.db2.gz GXDDZXKMWVFNHP-UHFFFAOYSA-N 1 3 276.424 3.000 10 0 CFAEHO C[C@H](CCOCc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335735 380855714 /nfs/dbraw/zinc/85/57/14/380855714.db2.gz FWNSEYWEKAMICZ-BFYDXBDKSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](NCC(C)(C)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400428156 380858590 /nfs/dbraw/zinc/85/85/90/380858590.db2.gz ZHBANLJEOHZUDX-NWDGAFQWSA-N 1 3 252.427 2.613 10 0 CFAEHO Clc1ccc(CCNC[C@H]2CCC[NH2+]C2)s1 ZINC000226349309 382827098 /nfs/dbraw/zinc/82/70/98/382827098.db2.gz ANKDPHSDNMFCRX-JTQLQIEISA-N 1 3 258.818 2.533 10 0 CFAEHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)COCc1ccccc1 ZINC000567641537 383296729 /nfs/dbraw/zinc/29/67/29/383296729.db2.gz MNWGHSJSARLPKI-NUJGCVRESA-N 1 3 290.451 2.817 10 0 CFAEHO Cc1cc(NCCC[NH2+]C(C)C)c2ccccc2n1 ZINC000521987743 383319159 /nfs/dbraw/zinc/31/91/59/383319159.db2.gz MCFUQNDQMCBEPD-UHFFFAOYSA-N 1 3 257.381 2.765 10 0 CFAEHO CCCOc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634998178 383453264 /nfs/dbraw/zinc/45/32/64/383453264.db2.gz BUSMMPHWWXGIJS-DZGCQCFKSA-N 1 3 262.397 2.502 10 0 CFAEHO CCCOc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000364 383457490 /nfs/dbraw/zinc/45/74/90/383457490.db2.gz MUXVZYBJVOOUOZ-ZFWWWQNUSA-N 1 3 262.397 2.502 10 0 CFAEHO Cc1cccnc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261658800 383538594 /nfs/dbraw/zinc/53/85/94/383538594.db2.gz IBRYXIXSYOGHPF-SJORKVTESA-N 1 3 281.403 2.564 10 0 CFAEHO COC[C@@]1(CNc2cc(C)nc3ccccc32)CCC[NH2+]1 ZINC000261690862 383543021 /nfs/dbraw/zinc/54/30/21/383543021.db2.gz NJQPAVSUFXLIAI-KRWDZBQOSA-N 1 3 285.391 2.724 10 0 CFAEHO CN(C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588738 393564301 /nfs/dbraw/zinc/56/43/01/393564301.db2.gz DBOJSESHJYLWEM-CHWSQXEVSA-N 1 3 260.372 2.886 10 0 CFAEHO Cc1cc(NC[C@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000044503182 393564693 /nfs/dbraw/zinc/56/46/93/393564693.db2.gz WHHJZJDRWSNYLE-ZDUSSCGKSA-N 1 3 255.365 2.955 10 0 CFAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000381735739 393566972 /nfs/dbraw/zinc/56/69/72/393566972.db2.gz TWZVPQVCNUQJJC-AGIUHOORSA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000381735739 393566978 /nfs/dbraw/zinc/56/69/78/393566978.db2.gz TWZVPQVCNUQJJC-AGIUHOORSA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735739 393566979 /nfs/dbraw/zinc/56/69/79/393566979.db2.gz TWZVPQVCNUQJJC-AGIUHOORSA-N 1 3 260.372 2.729 10 0 CFAEHO CN(C[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241412 397636922 /nfs/dbraw/zinc/63/69/22/397636922.db2.gz DTCDPRYAIVEBNE-CABCVRRESA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@H+](C[C@H]1CCOc2ccccc21)[C@H]1CCCNCC1 ZINC000300241412 397636925 /nfs/dbraw/zinc/63/69/25/397636925.db2.gz DTCDPRYAIVEBNE-CABCVRRESA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@@H+](C[C@H]1CCOc2ccccc21)[C@H]1CCCNCC1 ZINC000300241412 397636928 /nfs/dbraw/zinc/63/69/28/397636928.db2.gz DTCDPRYAIVEBNE-CABCVRRESA-N 1 3 274.408 2.627 10 0 CFAEHO CC[NH+](CC)CCn1c(N)nc2cc(C)c(C)cc21 ZINC000006869551 170251394 /nfs/dbraw/zinc/25/13/94/170251394.db2.gz CABDYGSLBYFYKQ-UHFFFAOYSA-N 1 3 260.385 2.577 10 0 CFAEHO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1cccc(CN)c1 ZINC000022152264 171359761 /nfs/dbraw/zinc/35/97/61/171359761.db2.gz WTFBONZDUCITTC-CQSZACIVSA-N 1 3 289.423 2.738 10 0 CFAEHO C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1cccc(CN)c1 ZINC000022152264 171359762 /nfs/dbraw/zinc/35/97/62/171359762.db2.gz WTFBONZDUCITTC-CQSZACIVSA-N 1 3 289.423 2.738 10 0 CFAEHO C[C@@H](N)c1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404405 174253722 /nfs/dbraw/zinc/25/37/22/174253722.db2.gz BNJVTSHBPIJJHJ-SNVBAGLBSA-N 1 3 280.803 2.661 10 0 CFAEHO C[C@H](N)c1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404402 174253825 /nfs/dbraw/zinc/25/38/25/174253825.db2.gz BNJVTSHBPIJJHJ-JTQLQIEISA-N 1 3 280.803 2.661 10 0 CFAEHO C[NH2+]C[C@H]1CCCN([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040593488 174347471 /nfs/dbraw/zinc/34/74/71/174347471.db2.gz ONWIYMPTTRBXLE-DOTOQJQBSA-N 1 3 290.451 2.948 10 0 CFAEHO C[C@@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749030 174393554 /nfs/dbraw/zinc/39/35/54/174393554.db2.gz SSYOYMBBUCDKDE-LNRIEFBSSA-N 1 3 258.409 2.962 10 0 CFAEHO C[C@@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749030 174393556 /nfs/dbraw/zinc/39/35/56/174393556.db2.gz SSYOYMBBUCDKDE-LNRIEFBSSA-N 1 3 258.409 2.962 10 0 CFAEHO CC[C@H](N)[C@H]([N@H+](C)C1CCN(CC)CC1)C(C)(C)C ZINC000043294569 174998908 /nfs/dbraw/zinc/99/89/08/174998908.db2.gz AWENABXDSNBIFO-GJZGRUSLSA-N 1 3 269.477 2.555 10 0 CFAEHO CC[C@H](N)[C@H]([N@@H+](C)C1CCN(CC)CC1)C(C)(C)C ZINC000043294569 174998909 /nfs/dbraw/zinc/99/89/09/174998909.db2.gz AWENABXDSNBIFO-GJZGRUSLSA-N 1 3 269.477 2.555 10 0 CFAEHO Cc1cc(C)cc([C@@H](C[NH3+])N2CCN(C(C)(C)C)CC2)c1 ZINC000043394358 175034917 /nfs/dbraw/zinc/03/49/17/175034917.db2.gz OTVLNIKHGSTXPZ-QGZVFWFLSA-N 1 3 289.467 2.719 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805635 175107721 /nfs/dbraw/zinc/10/77/21/175107721.db2.gz GCOOCAHZPYUIFW-KSZLIROESA-N 1 3 295.515 2.961 10 0 CFAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN(C)C(C)C)c1 ZINC000043813269 175111186 /nfs/dbraw/zinc/11/11/86/175111186.db2.gz BKSVXOPVGXZUNE-LBPRGKRZSA-N 1 3 250.386 2.816 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043897200 175119956 /nfs/dbraw/zinc/11/99/56/175119956.db2.gz RHKJGWKVVLKWEZ-DLBZAZTESA-N 1 3 283.504 2.959 10 0 CFAEHO C[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1C ZINC000043896951 175120083 /nfs/dbraw/zinc/12/00/83/175120083.db2.gz QPXFNWDKNZUKNH-GOSISDBHSA-N 1 3 289.467 2.590 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897077 175120140 /nfs/dbraw/zinc/12/01/40/175120140.db2.gz OSPIMYQUWUURBX-IRXDYDNUSA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@H]1CCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965584 175127220 /nfs/dbraw/zinc/12/72/20/175127220.db2.gz WHBVBYXMFWVCMT-JKSUJKDBSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965632 175127398 /nfs/dbraw/zinc/12/73/98/175127398.db2.gz ZFQUVIIQEDVJOB-HOTGVXAUSA-N 1 3 283.504 2.959 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982166 175134142 /nfs/dbraw/zinc/13/41/42/175134142.db2.gz NYCSOVDHGCXMGG-ZACQAIPSSA-N 1 3 283.504 2.673 10 0 CFAEHO CC[NH2+][C@@H]1CCCCC[C@H]1N(CCN(C)C)CC(C)C ZINC000043982190 175134245 /nfs/dbraw/zinc/13/42/45/175134245.db2.gz NZZXZFPQGILEQN-IAGOWNOFSA-N 1 3 283.504 2.817 10 0 CFAEHO Cc1cc(NCC2CC[NH2+]CC2)c2ccccc2n1 ZINC000044509267 175186983 /nfs/dbraw/zinc/18/69/83/175186983.db2.gz UIWRTBRGZPVFJQ-UHFFFAOYSA-N 1 3 255.365 2.955 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000044746868 175242614 /nfs/dbraw/zinc/24/26/14/175242614.db2.gz QUKJMSKPXBBWRB-KRWDZBQOSA-N 1 3 274.408 2.845 10 0 CFAEHO CC(C)N1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071283 175301496 /nfs/dbraw/zinc/30/14/96/175301496.db2.gz SEBNBBKGKGNIET-KRWDZBQOSA-N 1 3 293.499 2.843 10 0 CFAEHO CC(C)N1CCC(CN)([N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071283 175301498 /nfs/dbraw/zinc/30/14/98/175301498.db2.gz SEBNBBKGKGNIET-KRWDZBQOSA-N 1 3 293.499 2.843 10 0 CFAEHO CCCCN1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045171176 175320967 /nfs/dbraw/zinc/32/09/67/175320967.db2.gz IIXXVNWEZPOEEG-ZDUSSCGKSA-N 1 3 292.471 2.952 10 0 CFAEHO c1cc(CN2CCCCC2)sc1C[NH2+]C1CC1 ZINC000045206499 175328398 /nfs/dbraw/zinc/32/83/98/175328398.db2.gz UQBUKPMRTYORNI-UHFFFAOYSA-N 1 3 250.411 2.986 10 0 CFAEHO C[C@@H]1CCN(Cc2ccc(F)cc2C[NH3+])[C@H](C)C1 ZINC000071263616 176097059 /nfs/dbraw/zinc/09/70/59/176097059.db2.gz HWVOPZYSQJFMQJ-VXGBXAGGSA-N 1 3 250.361 2.905 10 0 CFAEHO C[C@@H]1CCCN(c2ccnc3ccccc32)[C@H]1C[NH3+] ZINC000252122611 287360938 /nfs/dbraw/zinc/36/09/38/287360938.db2.gz JOOFFJOPLVZLIW-WBMJQRKESA-N 1 3 255.365 2.798 10 0 CFAEHO C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCCNC1 ZINC000521423698 262326321 /nfs/dbraw/zinc/32/63/21/262326321.db2.gz HNAVNVZLKWUCDX-AEFFLSMTSA-N 1 3 290.451 2.961 10 0 CFAEHO CC1CCN(CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630775 276196860 /nfs/dbraw/zinc/19/68/60/276196860.db2.gz IBDIRGVEXRJIFN-XHSDSOJGSA-N 1 3 280.456 2.512 10 0 CFAEHO Cc1cccc2c1ncc(C)c2N1CC[C@H]([NH+](C)C)C1 ZINC000185295119 281309242 /nfs/dbraw/zinc/30/92/42/281309242.db2.gz OJJJXIQQJYMEEU-AWEZNQCLSA-N 1 3 269.392 2.992 10 0 CFAEHO CCCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000312646871 290016413 /nfs/dbraw/zinc/01/64/13/290016413.db2.gz FAQYRDIHJYOESZ-USXIJHARSA-N 1 3 274.408 2.645 10 0 CFAEHO CC(C)[NH2+]Cc1ccoc1CN1CCCSCC1 ZINC000052371030 519728079 /nfs/dbraw/zinc/72/80/79/519728079.db2.gz ILNBLUGALUBIHP-UHFFFAOYSA-N 1 3 268.426 2.717 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCCCCC2)CCOCC1 ZINC000052180829 519742699 /nfs/dbraw/zinc/74/26/99/519742699.db2.gz UNVYBCMYUSPKGD-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CCNCc1cc(C[N@@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000052381596 519987699 /nfs/dbraw/zinc/98/76/99/519987699.db2.gz DINQQJOAXDMRBU-GFCCVEGCSA-N 1 3 250.386 2.929 10 0 CFAEHO CCNCc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000052381596 519987709 /nfs/dbraw/zinc/98/77/09/519987709.db2.gz DINQQJOAXDMRBU-GFCCVEGCSA-N 1 3 250.386 2.929 10 0 CFAEHO CCN(CC1CC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000069239834 520958552 /nfs/dbraw/zinc/95/85/52/520958552.db2.gz JFHDILRDHUIRBP-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@]1(CNC(C)(C)C)CCOC1 ZINC000069239834 520958560 /nfs/dbraw/zinc/95/85/60/520958560.db2.gz JFHDILRDHUIRBP-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@]1(CNC(C)(C)C)CCOC1 ZINC000069239834 520958565 /nfs/dbraw/zinc/95/85/65/520958565.db2.gz JFHDILRDHUIRBP-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)oc1C ZINC000052420589 522106651 /nfs/dbraw/zinc/10/66/51/522106651.db2.gz FMXDCHJQVUMENX-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CNCc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)oc1C ZINC000052420589 522106662 /nfs/dbraw/zinc/10/66/62/522106662.db2.gz FMXDCHJQVUMENX-TXEJJXNPSA-N 1 3 250.386 2.785 10 0 CFAEHO CC(C)(C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000052417263 518755785 /nfs/dbraw/zinc/75/57/85/518755785.db2.gz SXRGSZQDMOFEPN-UHFFFAOYSA-N 1 3 289.467 2.977 10 0 CFAEHO CC(C)(C)[NH2+]CCO[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702277 518758714 /nfs/dbraw/zinc/75/87/14/518758714.db2.gz OFHNQLYGRFIUBW-INIZCTEOSA-N 1 3 276.424 2.666 10 0 CFAEHO CC(C)CN(CCN(C)C)c1cc(C[NH2+]C(C)C)ccn1 ZINC000051479614 519716863 /nfs/dbraw/zinc/71/68/63/519716863.db2.gz LSNDVJKGWDSBDG-UHFFFAOYSA-N 1 3 292.471 2.604 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346230 519723769 /nfs/dbraw/zinc/72/37/69/519723769.db2.gz MPZOFTJHGLWXIX-DLBZAZTESA-N 1 3 294.414 2.803 10 0 CFAEHO CC(C)C[NH2+]CC1(CN(C)C2CCCC2)CCOCC1 ZINC000052181355 519742854 /nfs/dbraw/zinc/74/28/54/519742854.db2.gz JBVDWWYPPANEQZ-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN2CCCC[C@@H]2C)CCOCC1 ZINC000052180692 519909643 /nfs/dbraw/zinc/90/96/43/519909643.db2.gz BTUXZYDPHXMBNF-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCC[NH2+]CC1(CN(C)CC(C)(C)C)CCOCC1 ZINC000052197539 519910372 /nfs/dbraw/zinc/91/03/72/519910372.db2.gz HISMCYLXTJUTKO-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC[NH2+]CC1(CN2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000052198220 519911055 /nfs/dbraw/zinc/91/10/55/519911055.db2.gz ZRCPGGMXISFTSS-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180553 519911308 /nfs/dbraw/zinc/91/13/08/519911308.db2.gz MDLFJQOOJTYAFW-HZPDHXFCSA-N 1 3 282.472 2.761 10 0 CFAEHO CCCNCC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180553 519911313 /nfs/dbraw/zinc/91/13/13/519911313.db2.gz MDLFJQOOJTYAFW-HZPDHXFCSA-N 1 3 282.472 2.761 10 0 CFAEHO CCNCC1(C[N@H+](C)C2CCCCC2)CCOCC1 ZINC000052181022 519912227 /nfs/dbraw/zinc/91/22/27/519912227.db2.gz BIVIDFJNDXHRFL-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCNCC1(C[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000052181022 519912229 /nfs/dbraw/zinc/91/22/29/519912229.db2.gz BIVIDFJNDXHRFL-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCOCC[N@@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174736292 519923010 /nfs/dbraw/zinc/92/30/10/519923010.db2.gz ZIIWXRVOXSWDTI-HNNXBMFYSA-N 1 3 299.418 2.782 10 0 CFAEHO CCOCC[N@H+]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174736292 519923015 /nfs/dbraw/zinc/92/30/15/519923015.db2.gz ZIIWXRVOXSWDTI-HNNXBMFYSA-N 1 3 299.418 2.782 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417533 519936448 /nfs/dbraw/zinc/93/64/48/519936448.db2.gz KMMPDUCSDFDEEN-SJORKVTESA-N 1 3 276.424 2.666 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)C(C)C ZINC000052419586 520007692 /nfs/dbraw/zinc/00/76/92/520007692.db2.gz OCBMUKROUVYTKZ-UHFFFAOYSA-N 1 3 250.386 2.515 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)C(C)C ZINC000052419586 520007698 /nfs/dbraw/zinc/00/76/98/520007698.db2.gz OCBMUKROUVYTKZ-UHFFFAOYSA-N 1 3 250.386 2.515 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000052381359 520009153 /nfs/dbraw/zinc/00/91/53/520009153.db2.gz RCRBFWTVDVPXDL-OAHLLOKOSA-N 1 3 276.424 2.907 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000052381359 520009157 /nfs/dbraw/zinc/00/91/57/520009157.db2.gz RCRBFWTVDVPXDL-OAHLLOKOSA-N 1 3 276.424 2.907 10 0 CFAEHO CCNCc1coc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000052420765 520017505 /nfs/dbraw/zinc/01/75/05/520017505.db2.gz LAVQSGUERXLXOI-CHWSQXEVSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCO[C@@H]1CCCN(Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401383 520274312 /nfs/dbraw/zinc/27/43/12/520274312.db2.gz HBQFIPVPSGVYSW-MRXNPFEDSA-N 1 3 280.387 2.675 10 0 CFAEHO CCN(CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052181260 520938789 /nfs/dbraw/zinc/93/87/89/520938789.db2.gz PWQOWPRVRARZKA-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCCC[C@](CC)(CN)[N@H+](CCC)CCN(C)C ZINC000069380644 521253227 /nfs/dbraw/zinc/25/32/27/521253227.db2.gz KQGCEQSPALXOCP-OAHLLOKOSA-N 1 3 257.466 2.558 10 0 CFAEHO CCCC[C@](CC)(CN)[N@@H+](CCC)CCN(C)C ZINC000069380644 521253233 /nfs/dbraw/zinc/25/32/33/521253233.db2.gz KQGCEQSPALXOCP-OAHLLOKOSA-N 1 3 257.466 2.558 10 0 CFAEHO CN(C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050944938 521905529 /nfs/dbraw/zinc/90/55/29/521905529.db2.gz LEXVCBZKGJQIHQ-HNNXBMFYSA-N 1 3 289.423 2.609 10 0 CFAEHO CC[C@@H](C)N(CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052547241 522093620 /nfs/dbraw/zinc/09/36/20/522093620.db2.gz LLODAOBNCVDMFU-UONOGXRCSA-N 1 3 258.450 2.758 10 0 CFAEHO CNCc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000052420870 522108951 /nfs/dbraw/zinc/10/89/51/522108951.db2.gz XDCKUFAJXSTZOJ-RYUDHWBXSA-N 1 3 250.386 2.785 10 0 CFAEHO CNCc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)oc1C ZINC000052373281 522109250 /nfs/dbraw/zinc/10/92/50/522109250.db2.gz HVGOEJACVNSMMS-NEPJUHHUSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)oc1C ZINC000052373281 522109257 /nfs/dbraw/zinc/10/92/57/522109257.db2.gz HVGOEJACVNSMMS-NEPJUHHUSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1occc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373078 522165564 /nfs/dbraw/zinc/16/55/64/522165564.db2.gz WJARODYRFMNMQU-HNNXBMFYSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1occc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373078 522165573 /nfs/dbraw/zinc/16/55/73/522165573.db2.gz WJARODYRFMNMQU-HNNXBMFYSA-N 1 3 270.376 2.989 10 0 CFAEHO CN(Cc1oc2ccccc2c1C[NH3+])[C@H]1CCSC1 ZINC000052453437 523617884 /nfs/dbraw/zinc/61/78/84/523617884.db2.gz NFRYWGZNDDGLJW-NSHDSACASA-N 1 3 276.405 2.829 10 0 CFAEHO CN1CCCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052424441 523810910 /nfs/dbraw/zinc/81/09/10/523810910.db2.gz OIWBQEJXNVZKGN-KRWDZBQOSA-N 1 3 289.467 2.753 10 0 CFAEHO C[C@@H]1CCCCN1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312201 524104656 /nfs/dbraw/zinc/10/46/56/524104656.db2.gz UPQVTGOPKYACBP-CYBMUJFWSA-N 1 3 296.377 2.810 10 0 CFAEHO C[C@@H]1CN([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363730 525058410 /nfs/dbraw/zinc/05/84/10/525058410.db2.gz XARAKQYCZGBIIH-KGYLQXTDSA-N 1 3 250.411 2.795 10 0 CFAEHO c1ccc(N2CCN(CCC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000050952334 526480897 /nfs/dbraw/zinc/48/08/97/526480897.db2.gz KIYCILFYGYPOES-KRWDZBQOSA-N 1 3 287.451 2.731 10 0 CFAEHO Cc1oc(CNC2CC2)cc1C[N@@H+](C)CC(C)C ZINC000052452850 526774743 /nfs/dbraw/zinc/77/47/43/526774743.db2.gz AUIHKMNDJTVBER-UHFFFAOYSA-N 1 3 250.386 2.928 10 0 CFAEHO Cc1oc(CNC2CC2)cc1C[N@H+](C)CC(C)C ZINC000052452850 526774746 /nfs/dbraw/zinc/77/47/46/526774746.db2.gz AUIHKMNDJTVBER-UHFFFAOYSA-N 1 3 250.386 2.928 10 0 CFAEHO CC[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](CC)O1 ZINC000398567460 574368692 /nfs/dbraw/zinc/36/86/92/574368692.db2.gz OLSTZQLIXDVTPW-QHEDDYRISA-N 1 3 280.456 2.797 10 0 CFAEHO CCc1nc(CCN(C)C)sc1C[NH2+]CC(C)C ZINC000082425750 178000875 /nfs/dbraw/zinc/00/08/75/178000875.db2.gz WQFPSSYJOWCIJC-UHFFFAOYSA-N 1 3 269.458 2.555 10 0 CFAEHO CCc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000124596589 187145062 /nfs/dbraw/zinc/14/50/62/187145062.db2.gz HWTUWWGGVCHVGA-CQSZACIVSA-N 1 3 269.392 2.938 10 0 CFAEHO C[C@H]([NH3+])c1ccc(CN2CCN(C(C)(C)C)CC2)cc1 ZINC000142158867 347933272 /nfs/dbraw/zinc/93/32/72/347933272.db2.gz NQADLLPMDOTIIS-AWEZNQCLSA-N 1 3 275.440 2.622 10 0 CFAEHO COc1cccc([C@@H](C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818650 179347720 /nfs/dbraw/zinc/34/77/20/179347720.db2.gz RMUKWALHHZYZHG-UKRRQHHQSA-N 1 3 262.397 2.830 10 0 CFAEHO COc1cccc([C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818650 179347724 /nfs/dbraw/zinc/34/77/24/179347724.db2.gz RMUKWALHHZYZHG-UKRRQHHQSA-N 1 3 262.397 2.830 10 0 CFAEHO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086817219 179344311 /nfs/dbraw/zinc/34/43/11/179344311.db2.gz KBLLZMCCJXEKGR-UONOGXRCSA-N 1 3 262.397 2.830 10 0 CFAEHO CN1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000086817313 179344434 /nfs/dbraw/zinc/34/44/34/179344434.db2.gz IRLAVUZOTWZVER-ZDUSSCGKSA-N 1 3 284.350 2.862 10 0 CFAEHO C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817213 179344767 /nfs/dbraw/zinc/34/47/67/179344767.db2.gz HPEJKIZAKWGUNP-WFASDCNBSA-N 1 3 250.361 2.961 10 0 CFAEHO C[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817213 179344770 /nfs/dbraw/zinc/34/47/70/179344770.db2.gz HPEJKIZAKWGUNP-WFASDCNBSA-N 1 3 250.361 2.961 10 0 CFAEHO CCCN1CCC[C@](CN)([N@H+](CC)CC(C)C)CC1 ZINC000086846865 179356968 /nfs/dbraw/zinc/35/69/68/179356968.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 1 3 269.477 2.558 10 0 CFAEHO CCCN1CCC[C@](CN)([N@@H+](CC)CC(C)C)CC1 ZINC000086846865 179356970 /nfs/dbraw/zinc/35/69/70/179356970.db2.gz FKOLIZJPKDUMEW-INIZCTEOSA-N 1 3 269.477 2.558 10 0 CFAEHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCc3ccccc32)C1 ZINC000250496501 348287936 /nfs/dbraw/zinc/28/79/36/348287936.db2.gz JLJGPEYPFDWSCN-PBHICJAKSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCc3ccccc32)C1 ZINC000250496501 348287945 /nfs/dbraw/zinc/28/79/45/348287945.db2.gz JLJGPEYPFDWSCN-PBHICJAKSA-N 1 3 258.409 2.994 10 0 CFAEHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000250496501 348287948 /nfs/dbraw/zinc/28/79/48/348287948.db2.gz JLJGPEYPFDWSCN-PBHICJAKSA-N 1 3 258.409 2.994 10 0 CFAEHO C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841575 355603739 /nfs/dbraw/zinc/60/37/39/355603739.db2.gz MMTCCONIDRGJGX-JQWIXIFHSA-N 1 3 272.314 2.732 10 0 CFAEHO CCN(CC)Cc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136357464 541297524 /nfs/dbraw/zinc/29/75/24/541297524.db2.gz HLXLZOUWXCOUGX-MRXNPFEDSA-N 1 3 291.439 2.840 10 0 CFAEHO CCN(CC)Cc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136357426 541297607 /nfs/dbraw/zinc/29/76/07/541297607.db2.gz HLXLZOUWXCOUGX-INIZCTEOSA-N 1 3 291.439 2.840 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251693930 299382010 /nfs/dbraw/zinc/38/20/10/299382010.db2.gz LUMZPMLCUIDXBF-NURSFMCSSA-N 1 3 254.324 2.743 10 0 CFAEHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250639539 189966919 /nfs/dbraw/zinc/96/69/19/189966919.db2.gz VSNRIHKVDALSQM-NOLJZWGESA-N 1 3 262.397 2.863 10 0 CFAEHO Cc1cc(N(C)CC(C)(C)C[NH3+])c2ccccc2n1 ZINC000093874769 375327749 /nfs/dbraw/zinc/32/77/49/375327749.db2.gz PHVWHXWCJJYNSS-UHFFFAOYSA-N 1 3 257.381 2.964 10 0 CFAEHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)CC(C)(C)C1 ZINC000174354894 379870664 /nfs/dbraw/zinc/87/06/64/379870664.db2.gz KAGWAQNCAWGEIR-SJORKVTESA-N 1 3 295.515 2.818 10 0 CFAEHO CC1(C)CO[C@@H](c2ccccc2)CN1CC1CC[NH2+]CC1 ZINC000178971719 380496766 /nfs/dbraw/zinc/49/67/66/380496766.db2.gz TXQWTOICSJMXOY-QGZVFWFLSA-N 1 3 288.435 2.838 10 0 CFAEHO C[C@H](NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400737983 380864249 /nfs/dbraw/zinc/86/42/49/380864249.db2.gz KKNLESWHFUGHEG-WCQYABFASA-N 1 3 297.240 2.579 10 0 CFAEHO C[C@H](NCc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400480304 380862107 /nfs/dbraw/zinc/86/21/07/380862107.db2.gz FIYLYKWINOPHEC-DZGCQCFKSA-N 1 3 254.377 2.927 10 0 CFAEHO CN(Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]CC1 ZINC000231454934 382864935 /nfs/dbraw/zinc/86/49/35/382864935.db2.gz OMGZAMXANAMNAB-KRWDZBQOSA-N 1 3 258.409 2.749 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698513 383545325 /nfs/dbraw/zinc/54/53/25/383545325.db2.gz NXNDCWJPJZLIFQ-SGIREYDYSA-N 1 3 285.366 2.543 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000261726105 383548068 /nfs/dbraw/zinc/54/80/68/383548068.db2.gz KURILYZDTFCRBI-FPMFFAJLSA-N 1 3 284.325 2.875 10 0 CFAEHO C[C@H](c1cccnc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625602 383530490 /nfs/dbraw/zinc/53/04/90/383530490.db2.gz DICXHHFSYABDPJ-OLMNPRSZSA-N 1 3 281.403 2.817 10 0 CFAEHO CC[C@H]1CN(c2ccnc3ccccc32)CC[C@@H]1[NH3+] ZINC000122973913 413007513 /nfs/dbraw/zinc/00/75/13/413007513.db2.gz WQLZUOZHIARYMF-JSGCOSHPSA-N 1 3 255.365 2.798 10 0 CFAEHO COCCN1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1C ZINC000248732649 393914256 /nfs/dbraw/zinc/91/42/56/393914256.db2.gz NFVQMWRNPRSEFO-HNNXBMFYSA-N 1 3 299.418 2.700 10 0 CFAEHO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1 ZINC000261825600 393950377 /nfs/dbraw/zinc/95/03/77/393950377.db2.gz UJCCHRKOVIRPDU-UKRRQHHQSA-N 1 3 267.376 2.731 10 0 CFAEHO Cc1ccc([C@@H](C)N[C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959977 543025127 /nfs/dbraw/zinc/02/51/27/543025127.db2.gz GIPYWHMEJOLKRM-QWHCGFSZSA-N 1 3 250.386 2.969 10 0 CFAEHO Cc1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)ccnc12 ZINC000301663696 397638772 /nfs/dbraw/zinc/63/87/72/397638772.db2.gz KPBSIXWFMFGXDC-HNNXBMFYSA-N 1 3 279.387 2.994 10 0 CFAEHO CN(Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1 ZINC000020266393 171123056 /nfs/dbraw/zinc/12/30/56/171123056.db2.gz MAEFCGCEUFPEPP-UHFFFAOYSA-N 1 3 258.340 2.916 10 0 CFAEHO [NH3+]CC[C@@H](COc1cccc(Cl)c1)N1CCCC1 ZINC000020401987 171182634 /nfs/dbraw/zinc/18/26/34/171182634.db2.gz HMIRNOUNOMVEDX-ZDUSSCGKSA-N 1 3 268.788 2.532 10 0 CFAEHO CCCc1ccc([C@@H]([NH3+])CN2CCN(CCC)CC2)cc1 ZINC000022562752 171391138 /nfs/dbraw/zinc/39/11/38/171391138.db2.gz NIQCIYRYPKCJQP-SFHVURJKSA-N 1 3 289.467 2.667 10 0 CFAEHO C=COCCC[NH2+][C@H](C)[C@H]1CCCN(CCC)C1 ZINC000037221605 173042327 /nfs/dbraw/zinc/04/23/27/173042327.db2.gz OBOMHMALPHXXTK-CABCVRRESA-N 1 3 254.418 2.637 10 0 CFAEHO CCCN(CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299553 173103862 /nfs/dbraw/zinc/10/38/62/173103862.db2.gz WPAYTCGPIMUZJC-UHFFFAOYSA-N 1 3 257.381 2.796 10 0 CFAEHO CN(C)CC(C)(C)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037301007 173106516 /nfs/dbraw/zinc/10/65/16/173106516.db2.gz IWMFSBUMVJUBLU-UHFFFAOYSA-N 1 3 298.814 2.746 10 0 CFAEHO CN1CCCC[C@H]1CC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032881 174029525 /nfs/dbraw/zinc/02/95/25/174029525.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 1 3 273.424 2.501 10 0 CFAEHO CN1CCCC[C@H]1CC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032881 174029528 /nfs/dbraw/zinc/02/95/28/174029528.db2.gz HDDLXWWKRJAGFT-HNNXBMFYSA-N 1 3 273.424 2.501 10 0 CFAEHO C[NH2+]C[C@H]1CCCN(Cc2c(C)[nH]c3ccccc32)C1 ZINC000040593392 174347814 /nfs/dbraw/zinc/34/78/14/174347814.db2.gz RVZOWRGSBZGWTD-CQSZACIVSA-N 1 3 271.408 2.908 10 0 CFAEHO Cc1ccc([C@H](CN)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000040693845 174378024 /nfs/dbraw/zinc/37/80/24/174378024.db2.gz SQROOIVYJYTRAH-INIZCTEOSA-N 1 3 291.439 2.538 10 0 CFAEHO Cc1cc(C)cc(OCCN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750120 174394802 /nfs/dbraw/zinc/39/48/02/174394802.db2.gz CWUWAACQROOCNF-MQVJKMGUSA-N 1 3 274.408 2.636 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815330 175112239 /nfs/dbraw/zinc/11/22/39/175112239.db2.gz LPIXRZFDVABVIK-SJORKVTESA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815362 175112278 /nfs/dbraw/zinc/11/22/78/175112278.db2.gz NHMICOKJDSUMMS-CVEARBPZSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@@H]1CCCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815332 175112398 /nfs/dbraw/zinc/11/23/98/175112398.db2.gz LPIXRZFDVABVIK-IAGOWNOFSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815435 175112420 /nfs/dbraw/zinc/11/24/20/175112420.db2.gz XEKWJFKYVLRXFU-SZMVWBNQSA-N 1 3 295.515 2.959 10 0 CFAEHO CCC[NH2+][C@H](CN(C)C1CCN(C)CC1)c1ccccc1 ZINC000043815398 175112657 /nfs/dbraw/zinc/11/26/57/175112657.db2.gz HXFCTHYTHGBBER-GOSISDBHSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818508 175113080 /nfs/dbraw/zinc/11/30/80/175113080.db2.gz DXIQPJLKPXEMRN-SJLPKXTDSA-N 1 3 289.467 2.753 10 0 CFAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CCCN(C)CC1 ZINC000043818137 175113111 /nfs/dbraw/zinc/11/31/11/175113111.db2.gz IUQCLWATYRSMIW-ROUUACIJSA-N 1 3 289.467 2.609 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818545 175113813 /nfs/dbraw/zinc/11/38/13/175113813.db2.gz WEGZFIPYUREHOL-IAGOWNOFSA-N 1 3 281.488 2.715 10 0 CFAEHO C[NH2+][C@H](C)CCN1CCC(Cc2ccccc2)CC1 ZINC000043819722 175114155 /nfs/dbraw/zinc/11/41/55/175114155.db2.gz AWDXNNFSUBRMHF-OAHLLOKOSA-N 1 3 260.425 2.939 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043897203 175119802 /nfs/dbraw/zinc/11/98/02/175119802.db2.gz RHKJGWKVVLKWEZ-IRXDYDNUSA-N 1 3 283.504 2.959 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897167 175119971 /nfs/dbraw/zinc/11/99/71/175119971.db2.gz OEHNOINPAJJAAM-DLBZAZTESA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(C(C)C)CC1 ZINC000043897165 175120042 /nfs/dbraw/zinc/12/00/42/175120042.db2.gz OEHNOINPAJJAAM-IAGOWNOFSA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1 ZINC000043897045 175120086 /nfs/dbraw/zinc/12/00/86/175120086.db2.gz UFOKHAYDBBIHJL-SFHVURJKSA-N 1 3 289.467 2.672 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N(CCN(C)C)CC(C)C ZINC000043981966 175133897 /nfs/dbraw/zinc/13/38/97/175133897.db2.gz PXSLMMDCDSKXKA-WMZOPIPTSA-N 1 3 291.483 2.855 10 0 CFAEHO CCCN1CCN([C@H](c2ccc(C)cc2)[C@H]([NH3+])CC)CC1 ZINC000044418386 175173200 /nfs/dbraw/zinc/17/32/00/175173200.db2.gz PQKMBBKJIXXVBP-QZTJIDSGSA-N 1 3 289.467 2.801 10 0 CFAEHO C[NH+]1CCC(CNCc2nc3ccccc3s2)CC1 ZINC000044518039 175190768 /nfs/dbraw/zinc/19/07/68/175190768.db2.gz GLWJTVKAGAEASD-UHFFFAOYSA-N 1 3 275.421 2.728 10 0 CFAEHO CCn1cc(CN2CCC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000044528023 175192436 /nfs/dbraw/zinc/19/24/36/175192436.db2.gz VUSIHJGEACDCPX-AWEZNQCLSA-N 1 3 271.408 2.832 10 0 CFAEHO CCOc1cccc(C[NH2+]C[C@@H]2CCCN(C)C2)c1OC ZINC000044533187 175197972 /nfs/dbraw/zinc/19/79/72/175197972.db2.gz ZWWLOLCCNQTHBH-AWEZNQCLSA-N 1 3 292.423 2.525 10 0 CFAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000045171400 175321220 /nfs/dbraw/zinc/32/12/20/175321220.db2.gz ZOXGKNXTKBCFBQ-WFASDCNBSA-N 1 3 278.444 2.512 10 0 CFAEHO C[C@@H]1CCN(c2ccnc3ccccc32)C[C@@H]1C[NH3+] ZINC000163939478 287604744 /nfs/dbraw/zinc/60/47/44/287604744.db2.gz PZATYLQAHPERHS-OLZOCXBDSA-N 1 3 255.365 2.656 10 0 CFAEHO CC(C)(CC[NH3+])NCc1cccc(Br)c1 ZINC000258731745 270274389 /nfs/dbraw/zinc/27/43/89/270274389.db2.gz FDCCZZKFJDCNOC-UHFFFAOYSA-N 1 3 271.202 2.666 10 0 CFAEHO Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000164012962 278714174 /nfs/dbraw/zinc/71/41/74/278714174.db2.gz CURLJGXSNOBPSX-TZMCWYRMSA-N 1 3 269.392 2.964 10 0 CFAEHO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400505819 288079754 /nfs/dbraw/zinc/07/97/54/288079754.db2.gz DGPULFCDHXBZSZ-INWMFGNUSA-N 1 3 262.397 2.734 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261624178 288153632 /nfs/dbraw/zinc/15/36/32/288153632.db2.gz VAJWXVLSZRMPEZ-QCEMKRCNSA-N 1 3 262.372 2.946 10 0 CFAEHO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228081844 280587861 /nfs/dbraw/zinc/58/78/61/280587861.db2.gz IVNRXCJFBPVMKH-OLZOCXBDSA-N 1 3 255.365 2.717 10 0 CFAEHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000515828748 281298097 /nfs/dbraw/zinc/29/80/97/281298097.db2.gz HXFFFWNQLLHEES-RFQIPJPRSA-N 1 3 256.459 2.638 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000400649293 290011264 /nfs/dbraw/zinc/01/12/64/290011264.db2.gz PPDBWGQPEPPETD-YFKTTZPYSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000400649293 290011267 /nfs/dbraw/zinc/01/12/67/290011267.db2.gz PPDBWGQPEPPETD-YFKTTZPYSA-N 1 3 264.335 2.838 10 0 CFAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149291 303406464 /nfs/dbraw/zinc/40/64/64/303406464.db2.gz LKZRJHMUQJMRHK-XKGSQUFQSA-N 1 3 264.335 2.825 10 0 CFAEHO CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)CC(F)(F)F ZINC000575795011 322729421 /nfs/dbraw/zinc/72/94/21/322729421.db2.gz ASAWGCCRWSXBAD-SRVKXCTJSA-N 1 3 266.351 2.943 10 0 CFAEHO C[C@H](NCCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000580999308 325081341 /nfs/dbraw/zinc/08/13/41/325081341.db2.gz NRMRPMVGIPGNKQ-WDEREUQCSA-N 1 3 272.845 2.922 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC(CC)CC2)CCOCC1 ZINC000052197892 519909431 /nfs/dbraw/zinc/90/94/31/519909431.db2.gz HYYRLTNKGKYTTD-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1ccccc1CC ZINC000052203908 521657551 /nfs/dbraw/zinc/65/75/51/521657551.db2.gz QGXVJQABMOZWDC-KRWDZBQOSA-N 1 3 277.456 2.522 10 0 CFAEHO CNCc1oc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000052373524 522161625 /nfs/dbraw/zinc/16/16/25/522161625.db2.gz YENPHMFHLWGXIP-AAEUAGOBSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1oc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1C ZINC000052373524 522161636 /nfs/dbraw/zinc/16/16/36/522161636.db2.gz YENPHMFHLWGXIP-AAEUAGOBSA-N 1 3 250.386 2.928 10 0 CFAEHO CC(C)N1CCN([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480098 519682897 /nfs/dbraw/zinc/68/28/97/519682897.db2.gz YYAWDAVECQIPEG-OAHLLOKOSA-N 1 3 269.477 2.569 10 0 CFAEHO CC(C)CN(CC[NH+](C)C)Cc1ccc(CNC2CC2)o1 ZINC000052503320 519716812 /nfs/dbraw/zinc/71/68/12/519716812.db2.gz XUCHVKBRXILPKZ-UHFFFAOYSA-N 1 3 293.455 2.551 10 0 CFAEHO CC(C)NCC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181743 519719781 /nfs/dbraw/zinc/71/97/81/519719781.db2.gz NGGHOUSCNCRBCT-HNNXBMFYSA-N 1 3 270.461 2.758 10 0 CFAEHO CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccs2)O1 ZINC000052456390 519746450 /nfs/dbraw/zinc/74/64/50/519746450.db2.gz RDIYPSSFKQKOMS-CABCVRRESA-N 1 3 296.480 2.973 10 0 CFAEHO CCC[NH2+]CCCCCN1C[C@H](C)OC[C@@H]1CC ZINC000052571143 519912510 /nfs/dbraw/zinc/91/25/10/519912510.db2.gz PWMIJQQSDOKZGU-GJZGRUSLSA-N 1 3 256.434 2.656 10 0 CFAEHO CCCNCc1occc1COCC[NH+](CC)CC ZINC000052671796 519972139 /nfs/dbraw/zinc/97/21/39/519972139.db2.gz PWUAMSLODDGZLC-UHFFFAOYSA-N 1 3 268.401 2.638 10 0 CFAEHO CC[NH2+]Cc1coc(CN(CCOC)[C@@H](C)CC)c1 ZINC000052547372 520017427 /nfs/dbraw/zinc/01/74/27/520017427.db2.gz IKZRRSPBIYPGFR-ZDUSSCGKSA-N 1 3 268.401 2.636 10 0 CFAEHO CCNCc1coc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000052420764 520019000 /nfs/dbraw/zinc/01/90/00/520019000.db2.gz LAVQSGUERXLXOI-STQMWFEESA-N 1 3 250.386 2.867 10 0 CFAEHO CCC[C@@H](C)N(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181883 520646048 /nfs/dbraw/zinc/64/60/48/520646048.db2.gz DJSJLJZHLIIRFY-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC[C@@H](C)[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181883 520646056 /nfs/dbraw/zinc/64/60/56/520646056.db2.gz DJSJLJZHLIIRFY-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC[C@@H](C)[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181883 520646068 /nfs/dbraw/zinc/64/60/68/520646068.db2.gz DJSJLJZHLIIRFY-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO CCN(CC)CCc1ncc(C[NH2+]C(C)(C)C)s1 ZINC000052331399 520714220 /nfs/dbraw/zinc/71/42/20/520714220.db2.gz ANBPSCZNNJBMBR-UHFFFAOYSA-N 1 3 269.458 2.916 10 0 CFAEHO CC[N@H+](CCCN1CCCC1)C1(CN)CCC(C)CC1 ZINC000050088573 521014118 /nfs/dbraw/zinc/01/41/18/521014118.db2.gz QBISMYPXMCYXDH-UHFFFAOYSA-N 1 3 281.488 2.702 10 0 CFAEHO CC[N@@H+](CCCN1CCCC1)C1(CN)CCC(C)CC1 ZINC000050088573 521014122 /nfs/dbraw/zinc/01/41/22/521014122.db2.gz QBISMYPXMCYXDH-UHFFFAOYSA-N 1 3 281.488 2.702 10 0 CFAEHO CCN(Cc1cc(C[NH2+]C(C)C)co1)[C@H](C)COC ZINC000052504910 521290346 /nfs/dbraw/zinc/29/03/46/521290346.db2.gz XTVSVFCAUTYWIH-CYBMUJFWSA-N 1 3 268.401 2.634 10 0 CFAEHO CCC(C)(C)N(C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000069435451 521304655 /nfs/dbraw/zinc/30/46/55/521304655.db2.gz OZOFUNWMPPRCDW-UHFFFAOYSA-N 1 3 251.349 2.730 10 0 CFAEHO CCC[N@H+](CCOc1ccccc1CNC)C(C)C ZINC000052450359 521668875 /nfs/dbraw/zinc/66/88/75/521668875.db2.gz UNKDDAWGKFQSNX-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CCC[N@@H+](CCOc1ccccc1CNC)C(C)C ZINC000052450359 521668878 /nfs/dbraw/zinc/66/88/78/521668878.db2.gz UNKDDAWGKFQSNX-UHFFFAOYSA-N 1 3 264.413 2.905 10 0 CFAEHO CNCC1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181999 521972807 /nfs/dbraw/zinc/97/28/07/521972807.db2.gz HRTNYQROAJHXID-HZPDHXFCSA-N 1 3 280.456 2.515 10 0 CFAEHO CNCC1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181999 521972812 /nfs/dbraw/zinc/97/28/12/521972812.db2.gz HRTNYQROAJHXID-HZPDHXFCSA-N 1 3 280.456 2.515 10 0 CFAEHO C[NH2+]CCCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443480 521992022 /nfs/dbraw/zinc/99/20/22/521992022.db2.gz LAJXPRGFYOMZNN-UHFFFAOYSA-N 1 3 295.858 2.852 10 0 CFAEHO C[NH2+]Cc1ccccc1CN1CCc2ccccc2C1 ZINC000052419180 522137000 /nfs/dbraw/zinc/13/70/00/522137000.db2.gz WJMWUIOLBIXXDD-UHFFFAOYSA-N 1 3 266.388 2.964 10 0 CFAEHO CC[C@H]1CO[C@@H](C)CN1CCCC[NH2+]CC(C)C ZINC000052570770 523344559 /nfs/dbraw/zinc/34/45/59/523344559.db2.gz CLXZZSVIXMYVTR-GJZGRUSLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@H](C)N(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181193 523914672 /nfs/dbraw/zinc/91/46/72/523914672.db2.gz JGUGXHJKHIHXOG-AWEZNQCLSA-N 1 3 270.461 2.902 10 0 CFAEHO C[C@H]1CCCN1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180451 524120261 /nfs/dbraw/zinc/12/02/61/524120261.db2.gz GRNACYBJYVQEPP-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO Cc1ccc(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602223 524485136 /nfs/dbraw/zinc/48/51/36/524485136.db2.gz QQDXHUWAIXOHIA-YHWZYXNKSA-N 1 3 250.411 2.901 10 0 CFAEHO Cc1ccccc1C[N@@H+](C)[C@]1(CN)CCCSC1 ZINC000061590113 525131213 /nfs/dbraw/zinc/13/12/13/525131213.db2.gz DWWWMGNQUCEVDG-HNNXBMFYSA-N 1 3 264.438 2.651 10 0 CFAEHO Cc1ccccc1C[N@H+](C)[C@]1(CN)CCCSC1 ZINC000061590113 525131216 /nfs/dbraw/zinc/13/12/16/525131216.db2.gz DWWWMGNQUCEVDG-HNNXBMFYSA-N 1 3 264.438 2.651 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2[C@H](C[NH+](C)C)C(C)C ZINC000049221180 526220416 /nfs/dbraw/zinc/22/04/16/526220416.db2.gz XMKSHKRQZRWCAX-CQSZACIVSA-N 1 3 260.385 2.686 10 0 CFAEHO c1cc(C[NH2+]C2CC2)cc(CN2CCCSCC2)c1 ZINC000052371023 526426928 /nfs/dbraw/zinc/42/69/28/526426928.db2.gz CNFYDHUTPCGSQZ-UHFFFAOYSA-N 1 3 276.449 2.878 10 0 CFAEHO c1ccc2c(c1)nccc2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334997353 526515120 /nfs/dbraw/zinc/51/51/20/526515120.db2.gz YSMAZOLVIJWEAN-QGZVFWFLSA-N 1 3 267.376 2.815 10 0 CFAEHO Cc1oc(CN2CCCC2)cc1C[NH2+]CC(C)C ZINC000052377380 526770799 /nfs/dbraw/zinc/77/07/99/526770799.db2.gz YWVWLCIIHLETLF-UHFFFAOYSA-N 1 3 250.386 2.929 10 0 CFAEHO Cc1oc(CNC(C)C)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484665 526775308 /nfs/dbraw/zinc/77/53/08/526775308.db2.gz HVKYIMHLLGAGPF-LBPRGKRZSA-N 1 3 250.386 2.928 10 0 CFAEHO Cc1oc(CNC(C)C)cc1C[N@H+]1CC[C@H](C)C1 ZINC000052484665 526775312 /nfs/dbraw/zinc/77/53/12/526775312.db2.gz HVKYIMHLLGAGPF-LBPRGKRZSA-N 1 3 250.386 2.928 10 0 CFAEHO CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261578438 618107264 /nfs/dbraw/zinc/10/72/64/618107264.db2.gz OZDCXKTYZXGMPI-GHMZBOCLSA-N 1 3 264.335 2.649 10 0 CFAEHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149399 623588813 /nfs/dbraw/zinc/58/88/13/623588813.db2.gz VSNRIHKVDALSQM-BJJXKVORSA-N 1 3 262.397 2.863 10 0 CFAEHO C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(Cl)cc21 ZINC000082509371 178075984 /nfs/dbraw/zinc/07/59/84/178075984.db2.gz ZHZXFZBHFKCNST-CYBMUJFWSA-N 1 3 280.799 2.847 10 0 CFAEHO Cc1cccc2c(N[C@H](C)CN3CCN(C)CC3)cc[nH+]c12 ZINC000125083172 187168680 /nfs/dbraw/zinc/16/86/80/187168680.db2.gz JZLHHLKNYWBFNK-OAHLLOKOSA-N 1 3 298.434 2.591 10 0 CFAEHO CN(C)[C@H]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185245 282268852 /nfs/dbraw/zinc/26/88/52/282268852.db2.gz DWAJOFSBZPKAOW-CVEARBPZSA-N 1 3 280.456 2.798 10 0 CFAEHO CC[N@@H+]1CC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763515 347756385 /nfs/dbraw/zinc/75/63/85/347756385.db2.gz WAURJWDRSZJOPE-CQSZACIVSA-N 1 3 269.392 2.666 10 0 CFAEHO CC[N@H+]1CC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763515 347756387 /nfs/dbraw/zinc/75/63/87/347756387.db2.gz WAURJWDRSZJOPE-CQSZACIVSA-N 1 3 269.392 2.666 10 0 CFAEHO CCN1CC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763515 347756389 /nfs/dbraw/zinc/75/63/89/347756389.db2.gz WAURJWDRSZJOPE-CQSZACIVSA-N 1 3 269.392 2.666 10 0 CFAEHO Cc1ccc(OC[C@H](C)N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818856 179348729 /nfs/dbraw/zinc/34/87/29/179348729.db2.gz PVHSENGPMZWTFL-HOTGVXAUSA-N 1 3 276.424 2.836 10 0 CFAEHO Cc1ccc(OC[C@H](C)N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818856 179348731 /nfs/dbraw/zinc/34/87/31/179348731.db2.gz PVHSENGPMZWTFL-HOTGVXAUSA-N 1 3 276.424 2.836 10 0 CFAEHO CC(C)C[N@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848107 179356531 /nfs/dbraw/zinc/35/65/31/179356531.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 1 3 283.504 2.945 10 0 CFAEHO CC(C)C[N@@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086848107 179356532 /nfs/dbraw/zinc/35/65/32/179356532.db2.gz IQNFWVDAHFYRIF-KRWDZBQOSA-N 1 3 283.504 2.945 10 0 CFAEHO CCC[N@@H+]1CCC[C@H](NCCc2cscn2)CC1 ZINC000086845135 179355280 /nfs/dbraw/zinc/35/52/80/179355280.db2.gz JMCJSKNFJKYAFO-ZDUSSCGKSA-N 1 3 267.442 2.540 10 0 CFAEHO CCC[N@H+]1CCC[C@H](NCCc2cscn2)CC1 ZINC000086845135 179355282 /nfs/dbraw/zinc/35/52/82/179355282.db2.gz JMCJSKNFJKYAFO-ZDUSSCGKSA-N 1 3 267.442 2.540 10 0 CFAEHO CCCN1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845135 179355285 /nfs/dbraw/zinc/35/52/85/179355285.db2.gz JMCJSKNFJKYAFO-ZDUSSCGKSA-N 1 3 267.442 2.540 10 0 CFAEHO CC[C@@H](C[NH3+])CCNCc1sccc1Br ZINC000087999925 179534529 /nfs/dbraw/zinc/53/45/29/179534529.db2.gz GTJFLBITMLDAIR-SECBINFHSA-N 1 3 291.258 2.975 10 0 CFAEHO Cc1nccn1CCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000122629517 187042373 /nfs/dbraw/zinc/04/23/73/187042373.db2.gz SRNWGIXIEKERKA-UHFFFAOYSA-N 1 3 287.411 2.574 10 0 CFAEHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839432 355601496 /nfs/dbraw/zinc/60/14/96/355601496.db2.gz GGTBHWBVUCSIOJ-SWLSCSKDSA-N 1 3 269.392 2.570 10 0 CFAEHO CC[C@H]1CN(c2ccnc3ccccc32)CC[C@H]1[NH3+] ZINC000251898842 540554211 /nfs/dbraw/zinc/55/42/11/540554211.db2.gz WQLZUOZHIARYMF-GXTWGEPZSA-N 1 3 255.365 2.798 10 0 CFAEHO NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234264 372506467 /nfs/dbraw/zinc/50/64/67/372506467.db2.gz KAXQIIGCHQPXCF-MSOLQXFVSA-N 1 3 266.388 2.861 10 0 CFAEHO NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234264 372506475 /nfs/dbraw/zinc/50/64/75/372506475.db2.gz KAXQIIGCHQPXCF-MSOLQXFVSA-N 1 3 266.388 2.861 10 0 CFAEHO C[C@@H]([NH3+])[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000104417452 375783141 /nfs/dbraw/zinc/78/31/41/375783141.db2.gz XTYNSFHEMGWCHD-OLZOCXBDSA-N 1 3 255.365 2.798 10 0 CFAEHO [NH3+]C1CCC(NCc2ccsc2Br)CC1 ZINC000335655437 379671014 /nfs/dbraw/zinc/67/10/14/379671014.db2.gz CRBCPVXDJXLIFP-UHFFFAOYSA-N 1 3 289.242 2.870 10 0 CFAEHO C[C@@H](NCC(C)(C)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000400428155 380860278 /nfs/dbraw/zinc/86/02/78/380860278.db2.gz ZHBANLJEOHZUDX-NEPJUHHUSA-N 1 3 252.427 2.613 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CC2CCC1CC2 ZINC000382070313 382527929 /nfs/dbraw/zinc/52/79/29/382527929.db2.gz GZVHYEDOEUCFIQ-PVNJOJHASA-N 1 3 250.430 2.790 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768428 382516316 /nfs/dbraw/zinc/51/63/16/382516316.db2.gz RDSDYFNRWQGTFM-VBNZEHGJSA-N 1 3 294.826 2.778 10 0 CFAEHO C[C@@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000520564851 383262795 /nfs/dbraw/zinc/26/27/95/383262795.db2.gz DPYYZIFDWKBJOB-HUUCEWRRSA-N 1 3 268.445 2.704 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000261726110 383548474 /nfs/dbraw/zinc/54/84/74/383548474.db2.gz KURILYZDTFCRBI-MRVWCRGKSA-N 1 3 284.325 2.875 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587133 383521334 /nfs/dbraw/zinc/52/13/34/383521334.db2.gz JGQBVUVZNKZMQW-BPLDGKMQSA-N 1 3 256.349 2.602 10 0 CFAEHO CCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261876407 383574624 /nfs/dbraw/zinc/57/46/24/383574624.db2.gz ZTQMTLAULHEPTP-BHYGNILZSA-N 1 3 274.408 2.645 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780844 383560002 /nfs/dbraw/zinc/56/00/02/383560002.db2.gz PLGKNVGOAVMOOB-UAGQMJEPSA-N 1 3 274.408 2.643 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261807166 383565049 /nfs/dbraw/zinc/56/50/49/383565049.db2.gz RXAKZAGJXXICSM-MAZHCROVSA-N 1 3 270.376 2.910 10 0 CFAEHO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCCNC1 ZINC000643454433 384635510 /nfs/dbraw/zinc/63/55/10/384635510.db2.gz RMSGXNGKHOJTBW-KGLIPLIRSA-N 1 3 271.408 2.688 10 0 CFAEHO CC[C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645269 393565718 /nfs/dbraw/zinc/56/57/18/393565718.db2.gz XQVDCAQKSKXTHS-JHJVBQTASA-N 1 3 260.372 2.871 10 0 CFAEHO C[C@H](CCNC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263421 393686363 /nfs/dbraw/zinc/68/63/63/393686363.db2.gz ZEUFEDKGNARNQM-SJLPKXTDSA-N 1 3 290.451 2.617 10 0 CFAEHO C[N@@H+]1CCC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763703 393887983 /nfs/dbraw/zinc/88/79/83/393887983.db2.gz SSGKBJSMEJFLRG-CQSZACIVSA-N 1 3 269.392 2.666 10 0 CFAEHO C[N@H+]1CCC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763703 393887988 /nfs/dbraw/zinc/88/79/88/393887988.db2.gz SSGKBJSMEJFLRG-CQSZACIVSA-N 1 3 269.392 2.666 10 0 CFAEHO C[C@@H]1CN(CCCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351747 /nfs/dbraw/zinc/35/17/47/394351747.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 1 3 288.526 2.641 10 0 CFAEHO C[C@@H]1CN(CCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351749 /nfs/dbraw/zinc/35/17/49/394351749.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 1 3 288.526 2.641 10 0 CFAEHO C[C@@H]1C[N@H+](CCCCN2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351751 /nfs/dbraw/zinc/35/17/51/394351751.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 1 3 288.526 2.641 10 0 CFAEHO C[C@@H]1C[N@@H+](CCCCN2CCS[C@@H](C)C2)CCS1 ZINC000157903110 394351753 /nfs/dbraw/zinc/35/17/53/394351753.db2.gz PTRQKFXQHJGDJE-OKILXGFUSA-N 1 3 288.526 2.641 10 0 CFAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179620 171044073 /nfs/dbraw/zinc/04/40/73/171044073.db2.gz CMGREOPSMIWNDP-MRXNPFEDSA-N 1 3 295.858 2.613 10 0 CFAEHO CN(Cc1cccc(F)c1)Cc1ccccc1C[NH3+] ZINC000020266390 171122431 /nfs/dbraw/zinc/12/24/31/171122431.db2.gz DSJIWFIFQVFUSR-UHFFFAOYSA-N 1 3 258.340 2.916 10 0 CFAEHO CC1CCN(CC[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273972 171131021 /nfs/dbraw/zinc/13/10/21/171131021.db2.gz SPTAJXWWPGYCBW-HNNXBMFYSA-N 1 3 250.361 2.948 10 0 CFAEHO Nc1c[nH+]ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000020383071 171173439 /nfs/dbraw/zinc/17/34/39/171173439.db2.gz OVCCYIQIKOEOSX-UHFFFAOYSA-N 1 3 282.391 2.740 10 0 CFAEHO CC[N@H+](Cc1ccc(SC)cc1)C1CCNCC1 ZINC000037538339 173258374 /nfs/dbraw/zinc/25/83/74/173258374.db2.gz ZWNDPELOMLVQID-UHFFFAOYSA-N 1 3 264.438 2.982 10 0 CFAEHO CC[N@@H+](Cc1ccc(SC)cc1)C1CCNCC1 ZINC000037538339 173258375 /nfs/dbraw/zinc/25/83/75/173258375.db2.gz ZWNDPELOMLVQID-UHFFFAOYSA-N 1 3 264.438 2.982 10 0 CFAEHO CC(C)[C@H]([NH2+]C1CCNCC1)c1ccc(F)cc1 ZINC000038041007 174041252 /nfs/dbraw/zinc/04/12/52/174041252.db2.gz MQEOTPIVQCPDFU-HNNXBMFYSA-N 1 3 250.361 2.864 10 0 CFAEHO C[C@H](N)[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335499 175011294 /nfs/dbraw/zinc/01/12/94/175011294.db2.gz FVBRCOWVKDNKIC-YOEHRIQHSA-N 1 3 291.439 2.618 10 0 CFAEHO CC(C)N1CCN([C@@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000043534820 175062636 /nfs/dbraw/zinc/06/26/36/175062636.db2.gz BLDSKRYGWFILER-FUHWJXTLSA-N 1 3 289.467 2.534 10 0 CFAEHO CCCN1CCN([C@@H]2CCCCCC[C@H]2[NH2+]CC)CC1 ZINC000043805503 175107381 /nfs/dbraw/zinc/10/73/81/175107381.db2.gz SBNUOHQXOZFCEN-IAGOWNOFSA-N 1 3 281.488 2.715 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCN(CCC)CC1 ZINC000043805659 175107626 /nfs/dbraw/zinc/10/76/26/175107626.db2.gz FGQISNUTRYRHEB-IRXDYDNUSA-N 1 3 283.504 2.961 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]C)c2cc(C)ccc2C)CC1 ZINC000043805348 175107734 /nfs/dbraw/zinc/10/77/34/175107734.db2.gz JMLYQWMKCRXSAW-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CCCN1CCN([C@H]2C[C@@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805515 175107856 /nfs/dbraw/zinc/10/78/56/175107856.db2.gz QHLGYRNPSIUEIY-ULQDDVLXSA-N 1 3 281.488 2.571 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]CC)c2ccccc2C)CC1 ZINC000043805537 175107895 /nfs/dbraw/zinc/10/78/95/175107895.db2.gz UEYWQPMUSOISLQ-SFHVURJKSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818459 175113266 /nfs/dbraw/zinc/11/32/66/175113266.db2.gz UHRXGCZORFLPFL-MSOLQXFVSA-N 1 3 289.467 2.753 10 0 CFAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043896959 175119820 /nfs/dbraw/zinc/11/98/20/175119820.db2.gz FYHGPHMLAJVNJG-AEFFLSMTSA-N 1 3 289.467 2.670 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@H](CC)N1CCN(C(C)C)CC1 ZINC000043897109 175119846 /nfs/dbraw/zinc/11/98/46/175119846.db2.gz MCBCPKOYNKXNPN-HOTGVXAUSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965582 175126959 /nfs/dbraw/zinc/12/69/59/175126959.db2.gz WHBVBYXMFWVCMT-HZPDHXFCSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967985 175128998 /nfs/dbraw/zinc/12/89/98/175128998.db2.gz QSNFJKFPLFVQQA-SZMVWBNQSA-N 1 3 293.499 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967995 175129286 /nfs/dbraw/zinc/12/92/86/175129286.db2.gz YLIPMSVPPWMKJB-ROUUACIJSA-N 1 3 293.499 2.715 10 0 CFAEHO CCC[C@H]([NH2+]C)[C@H](CC)N(CCN(C)C)CC(C)C ZINC000043982085 175134005 /nfs/dbraw/zinc/13/40/05/175134005.db2.gz RIKQQQGEPPUMAK-HOTGVXAUSA-N 1 3 271.493 2.673 10 0 CFAEHO CC[NH2+][C@H]1CCCCC[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982186 175134031 /nfs/dbraw/zinc/13/40/31/175134031.db2.gz NZZXZFPQGILEQN-IRXDYDNUSA-N 1 3 283.504 2.817 10 0 CFAEHO CCCN1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471606 175178174 /nfs/dbraw/zinc/17/81/74/175178174.db2.gz YPBRVYLXTQZGNS-FUHWJXTLSA-N 1 3 289.467 2.672 10 0 CFAEHO CCc1cccc2c(CN3CCC[C@@H](C[NH3+])C3)c[nH]c21 ZINC000044528019 175192429 /nfs/dbraw/zinc/19/24/29/175192429.db2.gz GQWOIMMXXXBJRS-ZDUSSCGKSA-N 1 3 271.408 2.901 10 0 CFAEHO Cc1[nH]c2ccccc2c1CN1CCC[C@@H](C[NH3+])C1 ZINC000044528021 175192843 /nfs/dbraw/zinc/19/28/43/175192843.db2.gz HUEYOSOGMYOIEE-ZDUSSCGKSA-N 1 3 257.381 2.647 10 0 CFAEHO C[C@@H]1C[C@@H](C)CCN1Cc1ccc(F)cc1C[NH3+] ZINC000071263618 176096473 /nfs/dbraw/zinc/09/64/73/176096473.db2.gz HWVOPZYSQJFMQJ-NWDGAFQWSA-N 1 3 250.361 2.905 10 0 CFAEHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCNCC1 ZINC000076656976 177045816 /nfs/dbraw/zinc/04/58/16/177045816.db2.gz ASVUQPPIGPNFMH-LBPRGKRZSA-N 1 3 252.789 2.566 10 0 CFAEHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCNCC1 ZINC000076656976 177045817 /nfs/dbraw/zinc/04/58/17/177045817.db2.gz ASVUQPPIGPNFMH-LBPRGKRZSA-N 1 3 252.789 2.566 10 0 CFAEHO C[C@H](CC[NH3+])CCCN1CCc2sccc2C1 ZINC000079193034 177442300 /nfs/dbraw/zinc/44/23/00/177442300.db2.gz GGAUANRFJWIKOO-LBPRGKRZSA-N 1 3 252.427 2.871 10 0 CFAEHO C[C@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCCNC1 ZINC000521423699 262326109 /nfs/dbraw/zinc/32/61/09/262326109.db2.gz HNAVNVZLKWUCDX-FUHWJXTLSA-N 1 3 290.451 2.961 10 0 CFAEHO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1 ZINC000261825601 274710581 /nfs/dbraw/zinc/71/05/81/274710581.db2.gz UJCCHRKOVIRPDU-ZFWWWQNUSA-N 1 3 267.376 2.731 10 0 CFAEHO CC1(C)CN(c2ccnc3ccccc32)CC[C@@H]1[NH3+] ZINC000261570902 278344255 /nfs/dbraw/zinc/34/42/55/278344255.db2.gz PTHJSWKIAHOYTJ-HNNXBMFYSA-N 1 3 255.365 2.798 10 0 CFAEHO CC1CCN(CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630778 278540476 /nfs/dbraw/zinc/54/04/76/278540476.db2.gz IBDIRGVEXRJIFN-JYJNAYRXSA-N 1 3 280.456 2.512 10 0 CFAEHO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCCC1 ZINC000085636262 289700438 /nfs/dbraw/zinc/70/04/38/289700438.db2.gz XKKFLGRQKSGXDM-UGUYLWEFSA-N 1 3 280.456 2.512 10 0 CFAEHO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCNC1 ZINC000565821671 290327319 /nfs/dbraw/zinc/32/73/19/290327319.db2.gz ZATJZVUXBKJWSG-TZMCWYRMSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@@H](NCCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000565821671 290327320 /nfs/dbraw/zinc/32/73/20/290327320.db2.gz ZATJZVUXBKJWSG-TZMCWYRMSA-N 1 3 266.816 2.860 10 0 CFAEHO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000382471438 324429035 /nfs/dbraw/zinc/42/90/35/324429035.db2.gz PYUXOBWIDXLZPK-OLZOCXBDSA-N 1 3 255.365 2.504 10 0 CFAEHO CC(C)NCC1(C[N@@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181743 519719782 /nfs/dbraw/zinc/71/97/82/519719782.db2.gz NGGHOUSCNCRBCT-HNNXBMFYSA-N 1 3 270.461 2.758 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCC(C)CC2)CCOCC1 ZINC000052180631 519719974 /nfs/dbraw/zinc/71/99/74/519719974.db2.gz MBBPDJPCXLDSDY-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCC[NH2+]Cc1ccoc1CN(CC)[C@@H](C)COC ZINC000052504762 519957931 /nfs/dbraw/zinc/95/79/31/519957931.db2.gz DCLRMOSFGQIAKI-ZDUSSCGKSA-N 1 3 268.401 2.636 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)[C@H](C)CC ZINC000052444128 520009263 /nfs/dbraw/zinc/00/92/63/520009263.db2.gz CXXGESLDXCTQRK-CQSZACIVSA-N 1 3 264.413 2.905 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)[C@H](C)CC ZINC000052444128 520009268 /nfs/dbraw/zinc/00/92/68/520009268.db2.gz CXXGESLDXCTQRK-CQSZACIVSA-N 1 3 264.413 2.905 10 0 CFAEHO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075309 520665969 /nfs/dbraw/zinc/66/59/69/520665969.db2.gz ISWAMIYRAOJQBO-OWCLPIDISA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH+](CC)CCOc1cc(F)ccc1[C@@H](C)N ZINC000062745916 520697018 /nfs/dbraw/zinc/69/70/18/520697018.db2.gz VJYOGBKUDCYITG-LLVKDONJSA-N 1 3 254.349 2.566 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000069380068 521121514 /nfs/dbraw/zinc/12/15/14/521121514.db2.gz BIYRSMMINIJXGI-INIZCTEOSA-N 1 3 269.477 2.700 10 0 CFAEHO CNCC1(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182643 521970473 /nfs/dbraw/zinc/97/04/73/521970473.db2.gz OJSJRZPRWRIOLD-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182643 521970480 /nfs/dbraw/zinc/97/04/80/521970480.db2.gz OJSJRZPRWRIOLD-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@@H](C)N(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181191 522048527 /nfs/dbraw/zinc/04/85/27/522048527.db2.gz JGUGXHJKHIHXOG-CQSZACIVSA-N 1 3 270.461 2.902 10 0 CFAEHO CC(C)[N@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052419589 519626404 /nfs/dbraw/zinc/62/64/04/519626404.db2.gz IMAHVUOMSWQVTM-UHFFFAOYSA-N 1 3 262.397 2.658 10 0 CFAEHO CC(C)[N@@H+](C)CCOc1ccccc1CNC1CC1 ZINC000052419589 519626408 /nfs/dbraw/zinc/62/64/08/519626408.db2.gz IMAHVUOMSWQVTM-UHFFFAOYSA-N 1 3 262.397 2.658 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425395 519725352 /nfs/dbraw/zinc/72/53/52/519725352.db2.gz AWDBFYPZWCQUCP-SJORKVTESA-N 1 3 294.414 2.803 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCCC[C@@H]2C)CCOCC1 ZINC000052180708 519742850 /nfs/dbraw/zinc/74/28/50/519742850.db2.gz BNUZIFOJRJISNM-INIZCTEOSA-N 1 3 282.472 2.903 10 0 CFAEHO CC(C)[C@@H](C[NH2+]C(C)(C)C)OC1CCN(C)CC1 ZINC000052596460 519794768 /nfs/dbraw/zinc/79/47/68/519794768.db2.gz HXUQFKAZQRVPCP-CQSZACIVSA-N 1 3 256.434 2.510 10 0 CFAEHO CCCN1CCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052422107 519859758 /nfs/dbraw/zinc/85/97/58/519859758.db2.gz GPLRFSCNUYFSCX-SFHVURJKSA-N 1 3 287.451 2.507 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@H](C)CC)CCOCC1 ZINC000052181180 519909822 /nfs/dbraw/zinc/90/98/22/519909822.db2.gz JGXJSEDMMZSDHD-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180408 519911117 /nfs/dbraw/zinc/91/11/17/519911117.db2.gz KAXCJOPWAWVULN-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180408 519911122 /nfs/dbraw/zinc/91/11/22/519911122.db2.gz KAXCJOPWAWVULN-OAHLLOKOSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+]CCC[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374736 519919723 /nfs/dbraw/zinc/91/97/23/519919723.db2.gz ZBUIBOFWJIMQIH-HNNXBMFYSA-N 1 3 293.430 2.726 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346398 519951337 /nfs/dbraw/zinc/95/13/37/519951337.db2.gz OYPKWQPALMRYFS-HOTGVXAUSA-N 1 3 296.842 2.929 10 0 CFAEHO CC[NH2+]C[C@H](c1ccccc1)N(CCN(C)C)CC(C)C ZINC000052503413 519975626 /nfs/dbraw/zinc/97/56/26/519975626.db2.gz NWSLWSTXMKMVKR-GOSISDBHSA-N 1 3 291.483 2.857 10 0 CFAEHO CCN(CC)CCc1ncc(C[NH2+]CC(C)C)s1 ZINC000052331596 520713601 /nfs/dbraw/zinc/71/36/01/520713601.db2.gz UAZUOIHCGVSVIP-UHFFFAOYSA-N 1 3 269.458 2.773 10 0 CFAEHO CCN(CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239939 520957341 /nfs/dbraw/zinc/95/73/41/520957341.db2.gz CTMIWYJLVHVLQJ-QGZVFWFLSA-N 1 3 282.472 2.761 10 0 CFAEHO CCC[C@H](C)[N@H+](C)CC1(CNCC)CCOCC1 ZINC000052181877 521032809 /nfs/dbraw/zinc/03/28/09/521032809.db2.gz SOSBMMPUYNHZQR-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[C@H](C)[N@@H+](C)CC1(CNCC)CCOCC1 ZINC000052181877 521032817 /nfs/dbraw/zinc/03/28/17/521032817.db2.gz SOSBMMPUYNHZQR-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[C@H](C)N(C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181877 521032824 /nfs/dbraw/zinc/03/28/24/521032824.db2.gz SOSBMMPUYNHZQR-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC(C)(C)N(C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429334 521310240 /nfs/dbraw/zinc/31/02/40/521310240.db2.gz XJYUNXMFKMZHQG-LBPRGKRZSA-N 1 3 277.412 2.593 10 0 CFAEHO CCCN(CCN(C)C)C[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000045687205 521656791 /nfs/dbraw/zinc/65/67/91/521656791.db2.gz KZKDUFFQVCYXQJ-SFHVURJKSA-N 1 3 291.483 2.838 10 0 CFAEHO CNCC1(C[N@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197777 521964612 /nfs/dbraw/zinc/96/46/12/521964612.db2.gz USCSBMLWDWSYSO-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197777 521964625 /nfs/dbraw/zinc/96/46/25/521964625.db2.gz USCSBMLWDWSYSO-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCc1ccoc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373060 522141682 /nfs/dbraw/zinc/14/16/82/522141682.db2.gz NUZQLBVBFNJRKB-INIZCTEOSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1ccoc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000052373060 522141688 /nfs/dbraw/zinc/14/16/88/522141688.db2.gz NUZQLBVBFNJRKB-INIZCTEOSA-N 1 3 270.376 2.989 10 0 CFAEHO C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1CN(C)CC1CC1 ZINC000054560069 522395860 /nfs/dbraw/zinc/39/58/60/522395860.db2.gz BPHAFNXYRJPVIN-OWCLPIDISA-N 1 3 252.446 2.989 10 0 CFAEHO COC1CCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052455194 522706805 /nfs/dbraw/zinc/70/68/05/522706805.db2.gz YNYYUOUHVATUFI-UHFFFAOYSA-N 1 3 280.412 2.779 10 0 CFAEHO COC1CCN(Cc2ccoc2C[NH2+]CC(C)C)CC1 ZINC000052455476 522708181 /nfs/dbraw/zinc/70/81/81/522708181.db2.gz BORPDAFHGCMYAL-UHFFFAOYSA-N 1 3 280.412 2.636 10 0 CFAEHO CC[C@@H]1CO[C@H](C)CN1CCCC[NH2+]CC(C)C ZINC000052570767 523514385 /nfs/dbraw/zinc/51/43/85/523514385.db2.gz CLXZZSVIXMYVTR-HUUCEWRRSA-N 1 3 256.434 2.512 10 0 CFAEHO C[N@@H+]1CCC[C@H]1CCOc1ccc(Cl)cc1CN ZINC000052858527 523850717 /nfs/dbraw/zinc/85/07/17/523850717.db2.gz NPSIVPUSNQSQLI-ZDUSSCGKSA-N 1 3 268.788 2.662 10 0 CFAEHO C[N@H+]1CCC[C@H]1CCOc1ccc(Cl)cc1CN ZINC000052858527 523850721 /nfs/dbraw/zinc/85/07/21/523850721.db2.gz NPSIVPUSNQSQLI-ZDUSSCGKSA-N 1 3 268.788 2.662 10 0 CFAEHO CC[C@H](C)C[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181450 523867152 /nfs/dbraw/zinc/86/71/52/523867152.db2.gz PSBIHUYZMQIGQV-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@H](C)C[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181450 523867161 /nfs/dbraw/zinc/86/71/61/523867161.db2.gz PSBIHUYZMQIGQV-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@H](C)CN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181450 523867165 /nfs/dbraw/zinc/86/71/65/523867165.db2.gz PSBIHUYZMQIGQV-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000061815910 524405158 /nfs/dbraw/zinc/40/51/58/524405158.db2.gz VLGAAEKUGDKYML-LSDHHAIUSA-N 1 3 262.397 2.515 10 0 CFAEHO Cc1cccc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262038266 524855618 /nfs/dbraw/zinc/85/56/18/524855618.db2.gz XYUKRGVUQBYGQQ-NVXWUHKLSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000262038266 524855628 /nfs/dbraw/zinc/85/56/28/524855628.db2.gz XYUKRGVUQBYGQQ-NVXWUHKLSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000262038266 524855639 /nfs/dbraw/zinc/85/56/39/524855639.db2.gz XYUKRGVUQBYGQQ-NVXWUHKLSA-N 1 3 258.409 2.784 10 0 CFAEHO CSC[C@@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000069439247 525622423 /nfs/dbraw/zinc/62/24/23/525622423.db2.gz HREOAOCFJBIWBN-ZDUSSCGKSA-N 1 3 279.453 2.639 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052182075 525640387 /nfs/dbraw/zinc/64/03/87/525640387.db2.gz KJBAZBKRDQYRJA-LSDHHAIUSA-N 1 3 280.456 2.656 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052182075 525640392 /nfs/dbraw/zinc/64/03/92/525640392.db2.gz KJBAZBKRDQYRJA-LSDHHAIUSA-N 1 3 280.456 2.656 10 0 CFAEHO Cc1oc(CN2CCCN(C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052424188 526771371 /nfs/dbraw/zinc/77/13/71/526771371.db2.gz ITQJGZKROYUYES-UHFFFAOYSA-N 1 3 293.455 2.614 10 0 CFAEHO Cc1oc(C[NH2+]CC(C)C)cc1CN1CCCC1 ZINC000052377592 526774625 /nfs/dbraw/zinc/77/46/25/526774625.db2.gz SSEWMIISEVJQDF-UHFFFAOYSA-N 1 3 250.386 2.929 10 0 CFAEHO NCCC[N@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000049312080 527179325 /nfs/dbraw/zinc/17/93/25/527179325.db2.gz LQFRUJURQINIPE-UHFFFAOYSA-N 1 3 282.350 2.549 10 0 CFAEHO NCCC[N@@H+](CCCOCC(F)(F)F)C1CCCC1 ZINC000049312080 527179333 /nfs/dbraw/zinc/17/93/33/527179333.db2.gz LQFRUJURQINIPE-UHFFFAOYSA-N 1 3 282.350 2.549 10 0 CFAEHO CCCc1nc(CC[NH+](CC)CC)sc1CNC ZINC000082428840 178005203 /nfs/dbraw/zinc/00/52/03/178005203.db2.gz YFZAXUXALPBYIK-UHFFFAOYSA-N 1 3 269.458 2.699 10 0 CFAEHO C[C@@H](CC[NH+](C)C)NCc1ccnc2ccccc12 ZINC000111728675 347756043 /nfs/dbraw/zinc/75/60/43/347756043.db2.gz WAIMKGMIFPFIMJ-ZDUSSCGKSA-N 1 3 257.381 2.665 10 0 CFAEHO [NH3+]CCCCN1CCN(c2cccc3sccc32)CC1 ZINC000142354391 347934331 /nfs/dbraw/zinc/93/43/31/347934331.db2.gz QOVXKOQNCJXWOT-UHFFFAOYSA-N 1 3 289.448 2.762 10 0 CFAEHO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)CC2)c(OC)c1 ZINC000086817574 179346124 /nfs/dbraw/zinc/34/61/24/179346124.db2.gz DXGVOERDBDRIPF-KGLIPLIRSA-N 1 3 292.423 2.839 10 0 CFAEHO COc1cccc([C@@H](C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818652 179347172 /nfs/dbraw/zinc/34/71/72/179347172.db2.gz RMUKWALHHZYZHG-HIFRSBDPSA-N 1 3 262.397 2.830 10 0 CFAEHO COc1cccc([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818652 179347174 /nfs/dbraw/zinc/34/71/74/179347174.db2.gz RMUKWALHHZYZHG-HIFRSBDPSA-N 1 3 262.397 2.830 10 0 CFAEHO CCN1CCC[C@@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844171 179355744 /nfs/dbraw/zinc/35/57/44/179355744.db2.gz OBPSVCBTCADAHM-MRXNPFEDSA-N 1 3 276.424 2.920 10 0 CFAEHO C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839398 355601015 /nfs/dbraw/zinc/60/10/15/355601015.db2.gz FYZGVJOFWDHPDY-MDZLAQPJSA-N 1 3 284.350 2.876 10 0 CFAEHO CN(Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000067847228 374008971 /nfs/dbraw/zinc/00/89/71/374008971.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 1 3 298.434 2.646 10 0 CFAEHO CN(Cc1ccc(-n2ccnc2)cc1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000067847228 374008979 /nfs/dbraw/zinc/00/89/79/374008979.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 1 3 298.434 2.646 10 0 CFAEHO CN1CC[C@](C)(C[N@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067847228 374008986 /nfs/dbraw/zinc/00/89/86/374008986.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 1 3 298.434 2.646 10 0 CFAEHO CN1CC[C@](C)(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067847228 374008994 /nfs/dbraw/zinc/00/89/94/374008994.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 1 3 298.434 2.646 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCCNCC2)s1 ZINC000129273689 377407847 /nfs/dbraw/zinc/40/78/47/377407847.db2.gz NARAXWQQVZXVLY-WCQYABFASA-N 1 3 252.427 2.719 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000129273689 377407854 /nfs/dbraw/zinc/40/78/54/377407854.db2.gz NARAXWQQVZXVLY-WCQYABFASA-N 1 3 252.427 2.719 10 0 CFAEHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000336528007 380417314 /nfs/dbraw/zinc/41/73/14/380417314.db2.gz ZIAWBGZPNOFHNJ-FUHWJXTLSA-N 1 3 293.499 2.665 10 0 CFAEHO Cc1ccc2nccc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000185502514 381651270 /nfs/dbraw/zinc/65/12/70/381651270.db2.gz IAOBJKXTCOSCIK-OAHLLOKOSA-N 1 3 299.418 2.802 10 0 CFAEHO CCN(CCO)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302229469 382223496 /nfs/dbraw/zinc/22/34/96/382223496.db2.gz WHHRFQICCZNXBF-UHFFFAOYSA-N 1 3 287.407 2.578 10 0 CFAEHO C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000389910720 382617416 /nfs/dbraw/zinc/61/74/16/382617416.db2.gz JNMNITVUOLLLHG-RDJZCZTQSA-N 1 3 276.424 2.714 10 0 CFAEHO CN(Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000231457161 382865194 /nfs/dbraw/zinc/86/51/94/382865194.db2.gz QNSGAQQEDCXOCE-INIZCTEOSA-N 1 3 269.392 2.809 10 0 CFAEHO Brc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000261543344 383508825 /nfs/dbraw/zinc/50/88/25/383508825.db2.gz CXEPKUWINAHHQU-CQSZACIVSA-N 1 3 297.240 2.723 10 0 CFAEHO Brc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000261543344 383508830 /nfs/dbraw/zinc/50/88/30/383508830.db2.gz CXEPKUWINAHHQU-CQSZACIVSA-N 1 3 297.240 2.723 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588740 383522381 /nfs/dbraw/zinc/52/23/81/383522381.db2.gz KIKOSWKDRVPLMF-YESZJQIVSA-N 1 3 256.393 2.733 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc4ccccc4c3)C[C@H]12 ZINC000262582927 383628824 /nfs/dbraw/zinc/62/88/24/383628824.db2.gz ZFMFMUVDFYYLIO-NZSAHSFTSA-N 1 3 296.414 2.888 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582924 383628846 /nfs/dbraw/zinc/62/88/46/383628846.db2.gz ZFMFMUVDFYYLIO-BHIYHBOVSA-N 1 3 296.414 2.888 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc4ccccc4c3)C[C@@H]12 ZINC000262582930 383628963 /nfs/dbraw/zinc/62/89/63/383628963.db2.gz ZFMFMUVDFYYLIO-QXAKKESOSA-N 1 3 296.414 2.888 10 0 CFAEHO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000572850219 383828101 /nfs/dbraw/zinc/82/81/01/383828101.db2.gz DQAXXJHONRNZRP-DFULUXCASA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@H](NC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572850219 383828108 /nfs/dbraw/zinc/82/81/08/383828108.db2.gz DQAXXJHONRNZRP-DFULUXCASA-N 1 3 258.409 2.910 10 0 CFAEHO CN(C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588742 393564444 /nfs/dbraw/zinc/56/44/44/393564444.db2.gz DBOJSESHJYLWEM-STQMWFEESA-N 1 3 260.372 2.886 10 0 CFAEHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381668275 393565978 /nfs/dbraw/zinc/56/59/78/393565978.db2.gz KSQHKVXLXOIRKJ-QWHCGFSZSA-N 1 3 260.372 2.743 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@@H](NC2CCC(C(F)(F)F)CC2)C1 ZINC000401785852 413169551 /nfs/dbraw/zinc/16/95/51/413169551.db2.gz ZQEOMCPQBMCPLS-XKGSQUFQSA-N 1 3 264.335 2.695 10 0 CFAEHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(O)cc1 ZINC000020128754 171016612 /nfs/dbraw/zinc/01/66/12/171016612.db2.gz KSUDZZFNXQAXGM-CQSZACIVSA-N 1 3 262.397 2.919 10 0 CFAEHO CN(Cc1cccc(F)c1)Cc1cccc(C[NH3+])c1 ZINC000020266387 171122899 /nfs/dbraw/zinc/12/28/99/171122899.db2.gz CUGVLJUTGWYBHZ-UHFFFAOYSA-N 1 3 258.340 2.916 10 0 CFAEHO CC1CCN(CC[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273971 171130546 /nfs/dbraw/zinc/13/05/46/171130546.db2.gz SPTAJXWWPGYCBW-OAHLLOKOSA-N 1 3 250.361 2.948 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CCCOCC)C1 ZINC000037210314 173032786 /nfs/dbraw/zinc/03/27/86/173032786.db2.gz UVIYACTZOYWZIG-CABCVRRESA-N 1 3 256.434 2.513 10 0 CFAEHO C[C@H](N[C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000037220961 173039179 /nfs/dbraw/zinc/03/91/79/173039179.db2.gz AHVRXJYOBKLSMB-YSVLISHTSA-N 1 3 258.409 2.994 10 0 CFAEHO C[C@H](N[C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220961 173039181 /nfs/dbraw/zinc/03/91/81/173039181.db2.gz AHVRXJYOBKLSMB-YSVLISHTSA-N 1 3 258.409 2.994 10 0 CFAEHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C)C1 ZINC000037221929 173041369 /nfs/dbraw/zinc/04/13/69/173041369.db2.gz NVFKUCIVSKYEOY-GXTWGEPZSA-N 1 3 250.361 2.646 10 0 CFAEHO CC[NH+](CC)CCC[C@H](C)NCc1nccn1C(F)F ZINC000037302463 173107847 /nfs/dbraw/zinc/10/78/47/173107847.db2.gz OXXLGVILXINAPK-LBPRGKRZSA-N 1 3 288.386 2.878 10 0 CFAEHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000038097921 174112391 /nfs/dbraw/zinc/11/23/91/174112391.db2.gz DZSZGCJYTXQKDF-MRXNPFEDSA-N 1 3 262.397 2.917 10 0 CFAEHO CCCN(Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747599 174392719 /nfs/dbraw/zinc/39/27/19/174392719.db2.gz AFUSMEFQZRGWMD-XYPWUTKMSA-N 1 3 274.408 2.887 10 0 CFAEHO COc1ccc(CC[C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC(N)C3)cc1 ZINC000040749447 174394416 /nfs/dbraw/zinc/39/44/16/174394416.db2.gz AHPDSBXYXXXSLG-LNRIEFBSSA-N 1 3 288.435 2.970 10 0 CFAEHO COc1ccc(CC[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)cc1 ZINC000040749447 174394419 /nfs/dbraw/zinc/39/44/19/174394419.db2.gz AHPDSBXYXXXSLG-LNRIEFBSSA-N 1 3 288.435 2.970 10 0 CFAEHO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCN(C)C)CC(C)C ZINC000043365385 175026375 /nfs/dbraw/zinc/02/63/75/175026375.db2.gz AWBACATXOPGWDC-NVXWUHKLSA-N 1 3 295.471 2.886 10 0 CFAEHO COc1ccc(CN(CCC[NH3+])CC(C)C)cc1F ZINC000043417423 175038193 /nfs/dbraw/zinc/03/81/93/175038193.db2.gz PYXWPAUUPPEUPB-UHFFFAOYSA-N 1 3 268.376 2.641 10 0 CFAEHO CCCC[C@H](CC)CN1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000043454550 175049843 /nfs/dbraw/zinc/04/98/43/175049843.db2.gz DJIBFAZJDHSEGB-IRXDYDNUSA-N 1 3 283.504 2.948 10 0 CFAEHO CCC[NH2+]Cc1ccc(OCCN(C)C)c(Cl)c1 ZINC000043479059 175055456 /nfs/dbraw/zinc/05/54/56/175055456.db2.gz MYNOBNQWHGFYHB-UHFFFAOYSA-N 1 3 270.804 2.780 10 0 CFAEHO Nc1cc[nH+]c(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000043568358 175067273 /nfs/dbraw/zinc/06/72/73/175067273.db2.gz MHBACYGEVBOALO-UHFFFAOYSA-N 1 3 282.391 2.740 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]C)c2ccc(C)c(C)c2)CC1 ZINC000043805376 175107342 /nfs/dbraw/zinc/10/73/42/175107342.db2.gz YCKCANKQFFKZIW-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO CCCN1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805512 175107917 /nfs/dbraw/zinc/10/79/17/175107917.db2.gz QHLGYRNPSIUEIY-YESZJQIVSA-N 1 3 281.488 2.571 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815400 175112606 /nfs/dbraw/zinc/11/26/06/175112606.db2.gz GOZYTPVFHXFWMU-UAGQMJEPSA-N 1 3 281.488 2.569 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818455 175113457 /nfs/dbraw/zinc/11/34/57/175113457.db2.gz UHRXGCZORFLPFL-QZTJIDSGSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCCN(C)CC1 ZINC000043818548 175113694 /nfs/dbraw/zinc/11/36/94/175113694.db2.gz ZMTABGDZBUIEDV-BBWFWOEESA-N 1 3 281.488 2.571 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCCN(C)CC1 ZINC000043818582 175114110 /nfs/dbraw/zinc/11/41/10/175114110.db2.gz MGFXLEOCCPOJIF-HZPDHXFCSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCN(C)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043886006 175116726 /nfs/dbraw/zinc/11/67/26/175116726.db2.gz MVCPBNPBKOLUMO-LBPRGKRZSA-N 1 3 250.386 2.817 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897162 175119924 /nfs/dbraw/zinc/11/99/24/175119924.db2.gz OEHNOINPAJJAAM-SJORKVTESA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965444 175126687 /nfs/dbraw/zinc/12/66/87/175126687.db2.gz OTYDREYFEKYNPB-WBVHZDCISA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965677 175127106 /nfs/dbraw/zinc/12/71/06/175127106.db2.gz SZAOMWSOGBNEMB-OAHLLOKOSA-N 1 3 283.504 2.817 10 0 CFAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965712 175127365 /nfs/dbraw/zinc/12/73/65/175127365.db2.gz ZXOIDKOYNOQZJX-CVEARBPZSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@@H](CC)[C@@H](C)N(CCN(C)C)CC(C)C ZINC000043982357 175133974 /nfs/dbraw/zinc/13/39/74/175133974.db2.gz QTUUFYWNYRGZAO-CVEARBPZSA-N 1 3 271.493 2.673 10 0 CFAEHO CCN(Cc1cc([C@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981225 175134138 /nfs/dbraw/zinc/13/41/38/175134138.db2.gz WLMQCYWYYIEWMB-KBPBESRZSA-N 1 3 294.439 2.832 10 0 CFAEHO CCCN1CCN([C@H](c2cccc(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418421 175173259 /nfs/dbraw/zinc/17/32/59/175173259.db2.gz RAXDCFINSCKIIH-QZTJIDSGSA-N 1 3 289.467 2.801 10 0 CFAEHO C[C@@H](c1ccc2c(c1)OCCCO2)N1CCC(C[NH3+])CC1 ZINC000044512057 175188164 /nfs/dbraw/zinc/18/81/64/175188164.db2.gz NQGAGIZDBCEFET-ZDUSSCGKSA-N 1 3 290.407 2.580 10 0 CFAEHO Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2CN)c1 ZINC000044558600 175203582 /nfs/dbraw/zinc/20/35/82/175203582.db2.gz USQXMETYHPYBJU-HNNXBMFYSA-N 1 3 262.397 2.577 10 0 CFAEHO Cc1cccc(OCCC[N@H+]2CCCC[C@H]2CN)c1 ZINC000044558600 175203584 /nfs/dbraw/zinc/20/35/84/175203584.db2.gz USQXMETYHPYBJU-HNNXBMFYSA-N 1 3 262.397 2.577 10 0 CFAEHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747569 175243049 /nfs/dbraw/zinc/24/30/49/175243049.db2.gz ZCUYKNZDTHHESG-MLGOLLRUSA-N 1 3 262.397 2.699 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000044806449 175256445 /nfs/dbraw/zinc/25/64/45/175256445.db2.gz WHOJWMKTVDLSGH-HNNXBMFYSA-N 1 3 299.503 2.624 10 0 CFAEHO C[N@H+](CCOc1ccccc1CN)CC(C)(C)C ZINC000045068188 175300223 /nfs/dbraw/zinc/30/02/23/175300223.db2.gz FKYBVBOUHGEHOK-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO C[N@@H+](CCOc1ccccc1CN)CC(C)(C)C ZINC000045068188 175300225 /nfs/dbraw/zinc/30/02/25/175300225.db2.gz FKYBVBOUHGEHOK-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO c1cc(CN2CCCCC2)c(C[NH2+]C2CC2)s1 ZINC000045205680 175327598 /nfs/dbraw/zinc/32/75/98/175327598.db2.gz TWYPVUVIDVTPEJ-UHFFFAOYSA-N 1 3 250.411 2.986 10 0 CFAEHO N[C@H](c1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000071616042 176235137 /nfs/dbraw/zinc/23/51/37/176235137.db2.gz DMNQOFWYONZGDP-JTQLQIEISA-N 1 3 275.215 2.510 10 0 CFAEHO CC1(C)CN(C[C@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569206 278335752 /nfs/dbraw/zinc/33/57/52/278335752.db2.gz JPUZFWSHDVLHNY-RYUDHWBXSA-N 1 3 260.372 2.871 10 0 CFAEHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCCNC1 ZINC000562958667 290085716 /nfs/dbraw/zinc/08/57/16/290085716.db2.gz JYKQZSIASLYDDR-TZMCWYRMSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000562958667 290085719 /nfs/dbraw/zinc/08/57/19/290085719.db2.gz JYKQZSIASLYDDR-TZMCWYRMSA-N 1 3 266.816 2.860 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)CCC)CCOCC1 ZINC000052181207 519910333 /nfs/dbraw/zinc/91/03/33/519910333.db2.gz ZRXRERUIHBHNGQ-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCO[C@H](C[NH3+])CCN(C)Cc1cccc(Cl)c1 ZINC000062740996 520516556 /nfs/dbraw/zinc/51/65/56/520516556.db2.gz AOWIJLNXERDABD-AWEZNQCLSA-N 1 3 270.804 2.526 10 0 CFAEHO CC(C)(C)[NH2+]CCCCCN1CCOC(C)(C)C1 ZINC000052481871 518756021 /nfs/dbraw/zinc/75/60/21/518756021.db2.gz BCKZKEFDVBAACW-UHFFFAOYSA-N 1 3 256.434 2.656 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCCC[C@H]2C)CCOCC1 ZINC000052180695 519719711 /nfs/dbraw/zinc/71/97/11/519719711.db2.gz OOUVUWJREXHRCQ-OAHLLOKOSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)[NH2+]Cc1occc1CN(C)[C@@H]1CCSC1 ZINC000052453281 519730134 /nfs/dbraw/zinc/73/01/34/519730134.db2.gz PTWDGTJWFUWACT-CYBMUJFWSA-N 1 3 268.426 2.715 10 0 CFAEHO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccs2)O1 ZINC000052456384 519745391 /nfs/dbraw/zinc/74/53/91/519745391.db2.gz RDIYPSSFKQKOMS-LSDHHAIUSA-N 1 3 296.480 2.973 10 0 CFAEHO CC[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374734 519920240 /nfs/dbraw/zinc/92/02/40/519920240.db2.gz ZBUIBOFWJIMQIH-OAHLLOKOSA-N 1 3 293.430 2.726 10 0 CFAEHO CC[NH2+]Cc1cc(CN2CCC[C@H](C)C2)oc1C ZINC000052381241 519988415 /nfs/dbraw/zinc/98/84/15/519988415.db2.gz ZPPWJJKYCTYBGI-LBPRGKRZSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[NH2+]Cc1cccc(CN(C)[C@H]2CCSC2)c1 ZINC000052453128 520004713 /nfs/dbraw/zinc/00/47/13/520004713.db2.gz XOIYTSKPGRAMRD-HNNXBMFYSA-N 1 3 264.438 2.733 10 0 CFAEHO CC[NH2+][C@@H](C)CCCCN1CCN([C@H](C)CC)CC1 ZINC000055065115 520072661 /nfs/dbraw/zinc/07/26/61/520072661.db2.gz XGYIKMDZDIQRGT-JKSUJKDBSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CCc2c1cccc2OCCN(C)C ZINC000062800053 520097430 /nfs/dbraw/zinc/09/74/30/520097430.db2.gz YPMHJBOALKFWNX-HNNXBMFYSA-N 1 3 262.397 2.614 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000069380865 521254820 /nfs/dbraw/zinc/25/48/20/521254820.db2.gz WFUICEMQGPZNQG-JKSUJKDBSA-N 1 3 269.477 2.700 10 0 CFAEHO CCC[C@](C)(C[NH2+]C)CN1CCC(OCC)CC1 ZINC000051249824 521266419 /nfs/dbraw/zinc/26/64/19/521266419.db2.gz GWWCFXHAALSEJQ-OAHLLOKOSA-N 1 3 256.434 2.513 10 0 CFAEHO CCN1CCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052422473 521688009 /nfs/dbraw/zinc/68/80/09/521688009.db2.gz VSCWZMUWJSWGAU-UHFFFAOYSA-N 1 3 289.467 2.712 10 0 CFAEHO CCN1CCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052422542 521689166 /nfs/dbraw/zinc/68/91/66/521689166.db2.gz AIKVIRWVBWOYQF-UHFFFAOYSA-N 1 3 289.467 2.712 10 0 CFAEHO CNCc1oc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000052420955 522159748 /nfs/dbraw/zinc/15/97/48/522159748.db2.gz CXXQXVFNVORKDN-RYUDHWBXSA-N 1 3 250.386 2.785 10 0 CFAEHO CC[C@H]1CCCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052181296 523019540 /nfs/dbraw/zinc/01/95/40/523019540.db2.gz VEXWTMLIMGGLMH-INIZCTEOSA-N 1 3 280.456 2.800 10 0 CFAEHO CC[C@H]1CCCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052181296 523019551 /nfs/dbraw/zinc/01/95/51/523019551.db2.gz VEXWTMLIMGGLMH-INIZCTEOSA-N 1 3 280.456 2.800 10 0 CFAEHO CC[C@@H]1CO[C@@H](C)CN1CCCCC[NH2+]CC(C)C ZINC000052571159 523506132 /nfs/dbraw/zinc/50/61/32/523506132.db2.gz YRRWJCYLAONMKR-JKSUJKDBSA-N 1 3 270.461 2.902 10 0 CFAEHO COc1ccc(C[NH3+])cc1CN1CCC(C)(C)CC1 ZINC000061819453 524017105 /nfs/dbraw/zinc/01/71/05/524017105.db2.gz VOCRDMZQDMWUNV-UHFFFAOYSA-N 1 3 262.397 2.776 10 0 CFAEHO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCN(C)C)c(C)n1 ZINC000049554290 524333891 /nfs/dbraw/zinc/33/38/91/524333891.db2.gz IEJHUIULAXJYMA-JSGCOSHPSA-N 1 3 263.429 2.998 10 0 CFAEHO C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000049009695 524389536 /nfs/dbraw/zinc/38/95/36/524389536.db2.gz CBFXQGRZUDBVCE-HIFRSBDPSA-N 1 3 289.423 2.594 10 0 CFAEHO Cc1nccn1CC[N@H+](CCCN)C1CCCCCC1 ZINC000049329591 527424494 /nfs/dbraw/zinc/42/44/94/527424494.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 1 3 278.444 2.565 10 0 CFAEHO Cc1nccn1CC[N@@H+](CCCN)C1CCCCCC1 ZINC000049329591 527424499 /nfs/dbraw/zinc/42/44/99/527424499.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 1 3 278.444 2.565 10 0 CFAEHO Cc1cccc2c(N[C@@H](C)CN3CCN(C)CC3)cc[nH+]c12 ZINC000125082975 187168883 /nfs/dbraw/zinc/16/88/83/187168883.db2.gz JZLHHLKNYWBFNK-HNNXBMFYSA-N 1 3 298.434 2.591 10 0 CFAEHO C[NH+](C)[C@H]1CCO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096110900 185101008 /nfs/dbraw/zinc/10/10/08/185101008.db2.gz UPTTTXSREJYWAB-DLBZAZTESA-N 1 3 292.398 2.511 10 0 CFAEHO NC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000150029401 347954576 /nfs/dbraw/zinc/95/45/76/347954576.db2.gz ZGHAWIXJFKZUPF-SFHVURJKSA-N 1 3 266.388 2.789 10 0 CFAEHO NC[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000150029401 347954577 /nfs/dbraw/zinc/95/45/77/347954577.db2.gz ZGHAWIXJFKZUPF-SFHVURJKSA-N 1 3 266.388 2.789 10 0 CFAEHO [NH3+]C[C@@]1(c2ccccc2)CCN(Cc2ccccc2)C1 ZINC000150029401 347954579 /nfs/dbraw/zinc/95/45/79/347954579.db2.gz ZGHAWIXJFKZUPF-SFHVURJKSA-N 1 3 266.388 2.789 10 0 CFAEHO CCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862886 186081246 /nfs/dbraw/zinc/08/12/46/186081246.db2.gz YUHMUWZNRNHXTI-GOSISDBHSA-N 1 3 290.451 2.774 10 0 CFAEHO CCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862886 186081248 /nfs/dbraw/zinc/08/12/48/186081248.db2.gz YUHMUWZNRNHXTI-GOSISDBHSA-N 1 3 290.451 2.774 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842267 355604111 /nfs/dbraw/zinc/60/41/11/355604111.db2.gz XWNNZTTVLCJZFI-HIFRSBDPSA-N 1 3 262.397 2.500 10 0 CFAEHO Cc1ccc2nccc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000073738643 374376763 /nfs/dbraw/zinc/37/67/63/374376763.db2.gz LYBHTWNQSOIAPS-ZDUSSCGKSA-N 1 3 255.365 2.955 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000120410950 376610645 /nfs/dbraw/zinc/61/06/45/376610645.db2.gz STRCWBIWRQMABT-HEHGZKQESA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000120452183 376616750 /nfs/dbraw/zinc/61/67/50/376616750.db2.gz QIZCVWWEWRRGDX-HEHGZKQESA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@H](NCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400398926 380858454 /nfs/dbraw/zinc/85/84/54/380858454.db2.gz PWJJXBRXCZWDSE-AAEUAGOBSA-N 1 3 297.240 2.579 10 0 CFAEHO C[C@@H](NCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400398928 380859317 /nfs/dbraw/zinc/85/93/17/380859317.db2.gz PWJJXBRXCZWDSE-DGCLKSJQSA-N 1 3 297.240 2.579 10 0 CFAEHO CC[C@@H](C[NH2+][C@H]1CCCNCC1)CC(F)(F)F ZINC000402633027 380889047 /nfs/dbraw/zinc/88/90/47/380889047.db2.gz YTBMPCMCVMBUCX-MNOVXSKESA-N 1 3 252.324 2.697 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCCOc3ccc(Cl)cc3)C[C@H]12 ZINC000380768427 382516472 /nfs/dbraw/zinc/51/64/72/382516472.db2.gz RDSDYFNRWQGTFM-UHOFOFEASA-N 1 3 294.826 2.778 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768425 382516546 /nfs/dbraw/zinc/51/65/46/382516546.db2.gz RDSDYFNRWQGTFM-APHBMKBZSA-N 1 3 294.826 2.778 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000389910722 382617349 /nfs/dbraw/zinc/61/73/49/382617349.db2.gz JNMNITVUOLLLHG-WBVHZDCISA-N 1 3 276.424 2.714 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998833 383454489 /nfs/dbraw/zinc/45/44/89/383454489.db2.gz LOXUEKNRVGXXEP-WCQYABFASA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634998833 383454496 /nfs/dbraw/zinc/45/44/96/383454496.db2.gz LOXUEKNRVGXXEP-WCQYABFASA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634998833 383454504 /nfs/dbraw/zinc/45/45/04/383454504.db2.gz LOXUEKNRVGXXEP-WCQYABFASA-N 1 3 258.365 2.768 10 0 CFAEHO CC(C)OC1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000643475836 384654349 /nfs/dbraw/zinc/65/43/49/384654349.db2.gz PUQLKDXXXMECMY-FXQLRMTLSA-N 1 3 268.445 2.700 10 0 CFAEHO Cc1cc(N2CCC(C[NH3+])CC2)c2ccccc2n1 ZINC000044514686 393564896 /nfs/dbraw/zinc/56/48/96/393564896.db2.gz DDNJIIBFWHZAMK-UHFFFAOYSA-N 1 3 255.365 2.718 10 0 CFAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000045171404 393570186 /nfs/dbraw/zinc/57/01/86/393570186.db2.gz ZOXGKNXTKBCFBQ-SWLSCSKDSA-N 1 3 278.444 2.512 10 0 CFAEHO C[NH+](C)Cc1ccccc1CNCc1ccc(O)cc1 ZINC000020128547 171015239 /nfs/dbraw/zinc/01/52/39/171015239.db2.gz JPADTNOHAPOWIC-UHFFFAOYSA-N 1 3 270.376 2.744 10 0 CFAEHO CCC[NH+](CCC)CCC(=O)Nc1cccc(CN)c1 ZINC000022153248 171360322 /nfs/dbraw/zinc/36/03/22/171360322.db2.gz XEVDPTAAPLWWLG-UHFFFAOYSA-N 1 3 277.412 2.596 10 0 CFAEHO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccccc1CN ZINC000022155364 171361883 /nfs/dbraw/zinc/36/18/83/171361883.db2.gz AANVMEJQNPZUFS-CQSZACIVSA-N 1 3 289.423 2.738 10 0 CFAEHO C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1CN ZINC000022155364 171361885 /nfs/dbraw/zinc/36/18/85/171361885.db2.gz AANVMEJQNPZUFS-CQSZACIVSA-N 1 3 289.423 2.738 10 0 CFAEHO Cc1ccc(C[N@@H+](C)[C@@]2(CN)CCCC[C@@H]2C)o1 ZINC000035699544 172367642 /nfs/dbraw/zinc/36/76/42/172367642.db2.gz ADCJRPSEWGUMFA-SWLSCSKDSA-N 1 3 250.386 2.927 10 0 CFAEHO Cc1ccc(C[N@H+](C)[C@@]2(CN)CCCC[C@@H]2C)o1 ZINC000035699544 172367644 /nfs/dbraw/zinc/36/76/44/172367644.db2.gz ADCJRPSEWGUMFA-SWLSCSKDSA-N 1 3 250.386 2.927 10 0 CFAEHO CCC[NH+]1CCC([C@H](C)NCc2ccco2)CC1 ZINC000037208429 173030323 /nfs/dbraw/zinc/03/03/23/173030323.db2.gz FCSPOEWIVWBYMA-ZDUSSCGKSA-N 1 3 250.386 2.880 10 0 CFAEHO NC[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000662271428 414486495 /nfs/dbraw/zinc/48/64/95/414486495.db2.gz GAFFZQDLVFUJGH-DEORAPPZSA-N 1 3 270.420 2.707 10 0 CFAEHO NC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000662271428 414486500 /nfs/dbraw/zinc/48/65/00/414486500.db2.gz GAFFZQDLVFUJGH-DEORAPPZSA-N 1 3 270.420 2.707 10 0 CFAEHO NC[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1c1ccccc1 ZINC000662272168 414489051 /nfs/dbraw/zinc/48/90/51/414489051.db2.gz LSJVYKDWWDQAGA-SJORKVTESA-N 1 3 256.393 2.627 10 0 CFAEHO NC[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1c1ccccc1 ZINC000662272168 414489054 /nfs/dbraw/zinc/48/90/54/414489054.db2.gz LSJVYKDWWDQAGA-SJORKVTESA-N 1 3 256.393 2.627 10 0 CFAEHO C[C@@H](Cc1ccccc1Cl)[NH2+]C1CCNCC1 ZINC000038040934 174041307 /nfs/dbraw/zinc/04/13/07/174041307.db2.gz QFUGRCDZDRLSNK-NSHDSACASA-N 1 3 252.789 2.613 10 0 CFAEHO C[C@@H](Cc1ccccc1Cl)NC1CC[NH2+]CC1 ZINC000038040934 174041309 /nfs/dbraw/zinc/04/13/09/174041309.db2.gz QFUGRCDZDRLSNK-NSHDSACASA-N 1 3 252.789 2.613 10 0 CFAEHO CN1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389754 175033951 /nfs/dbraw/zinc/03/39/51/175033951.db2.gz ONATWUIBIKEKPV-NSHDSACASA-N 1 3 256.752 2.520 10 0 CFAEHO CCCC[C@@H](CC)CN1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000043454549 175050197 /nfs/dbraw/zinc/05/01/97/175050197.db2.gz DJIBFAZJDHSEGB-SJORKVTESA-N 1 3 283.504 2.948 10 0 CFAEHO CCCN1CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805309 175107863 /nfs/dbraw/zinc/10/78/63/175107863.db2.gz RVKSIFYZYIZAQD-ULQDDVLXSA-N 1 3 295.515 2.817 10 0 CFAEHO CCC[NH2+][C@@H](CN(C)C1CCN(C)CC1)c1ccccc1 ZINC000043815397 175112206 /nfs/dbraw/zinc/11/22/06/175112206.db2.gz HXFCTHYTHGBBER-SFHVURJKSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCCN(C)CC1 ZINC000043818585 175113723 /nfs/dbraw/zinc/11/37/23/175113723.db2.gz MGFXLEOCCPOJIF-CVEARBPZSA-N 1 3 269.477 2.571 10 0 CFAEHO C[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043896930 175119791 /nfs/dbraw/zinc/11/97/91/175119791.db2.gz OFEONJXLVBSKNZ-ULQDDVLXSA-N 1 3 295.515 2.815 10 0 CFAEHO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCN(C(C)C)CC1 ZINC000043896999 175120198 /nfs/dbraw/zinc/12/01/98/175120198.db2.gz KQJBPDDCSCIXEZ-ZWKOTPCHSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965669 175127373 /nfs/dbraw/zinc/12/73/73/175127373.db2.gz WWTXCSTWIVOAJY-ZACQAIPSSA-N 1 3 295.515 2.959 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965563 175127427 /nfs/dbraw/zinc/12/74/27/175127427.db2.gz OQNUOIBDTQHFFQ-XHSDSOJGSA-N 1 3 281.488 2.569 10 0 CFAEHO CCCN1CCN([C@@H](c2cccc(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418424 175173197 /nfs/dbraw/zinc/17/31/97/175173197.db2.gz RAXDCFINSCKIIH-ROUUACIJSA-N 1 3 289.467 2.801 10 0 CFAEHO CCCN1CCN([C@@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000044427763 175175256 /nfs/dbraw/zinc/17/52/56/175175256.db2.gz NBHUCHRSIJOVLX-FUHWJXTLSA-N 1 3 289.467 2.535 10 0 CFAEHO C[NH+]1CCC(CNC2=NC[C@@H](c3ccccc3)S2)CC1 ZINC000044526496 175191465 /nfs/dbraw/zinc/19/14/65/175191465.db2.gz SIPOIJAMRBMNLB-HNNXBMFYSA-N 1 3 289.448 2.762 10 0 CFAEHO C[C@@H](CN1Cc2ccccc2C1=[NH2+])N1CCCCC1 ZINC000044995264 175287295 /nfs/dbraw/zinc/28/72/95/175287295.db2.gz FHQYHJWGRVULLJ-ZDUSSCGKSA-N 1 3 257.381 2.702 10 0 CFAEHO C[C@@H](Cc1cccs1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071271963 176104878 /nfs/dbraw/zinc/10/48/78/176104878.db2.gz DEGGCTBWVLNLRG-WODVXLOZSA-N 1 3 250.411 2.633 10 0 CFAEHO C[C@@H](Cc1cccs1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000071271963 176104879 /nfs/dbraw/zinc/10/48/79/176104879.db2.gz DEGGCTBWVLNLRG-WODVXLOZSA-N 1 3 250.411 2.633 10 0 CFAEHO C[C@@H](Cc1cccs1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071271963 176104880 /nfs/dbraw/zinc/10/48/80/176104880.db2.gz DEGGCTBWVLNLRG-WODVXLOZSA-N 1 3 250.411 2.633 10 0 CFAEHO Cc1ccc(OCCN(C)C)c(C[NH2+]C(C)(C)C)c1 ZINC000071407196 176156094 /nfs/dbraw/zinc/15/60/94/176156094.db2.gz HTDWMCNLMMXOFY-UHFFFAOYSA-N 1 3 264.413 2.824 10 0 CFAEHO CCCCc1ccc(CC[N@@H+]2CCCNCC2)cc1 ZINC000071587054 176214531 /nfs/dbraw/zinc/21/45/31/176214531.db2.gz RTDMVTMHUYHFEQ-UHFFFAOYSA-N 1 3 260.425 2.867 10 0 CFAEHO CCCCc1ccc(CC[N@H+]2CCCNCC2)cc1 ZINC000071587054 176214532 /nfs/dbraw/zinc/21/45/32/176214532.db2.gz RTDMVTMHUYHFEQ-UHFFFAOYSA-N 1 3 260.425 2.867 10 0 CFAEHO C[C@H]1CCCN(c2ccnc3ccccc32)[C@H]1C[NH3+] ZINC000252122610 299853417 /nfs/dbraw/zinc/85/34/17/299853417.db2.gz JOOFFJOPLVZLIW-LRDDRELGSA-N 1 3 255.365 2.798 10 0 CFAEHO CC1(C)CN(c2ccnc3ccccc32)CC[C@H]1[NH3+] ZINC000261570904 276136020 /nfs/dbraw/zinc/13/60/20/276136020.db2.gz PTHJSWKIAHOYTJ-OAHLLOKOSA-N 1 3 255.365 2.798 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251460675 281072524 /nfs/dbraw/zinc/07/25/24/281072524.db2.gz YVZMIHPVCSDYSD-GVDBMIGSSA-N 1 3 283.504 2.863 10 0 CFAEHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCCNC1 ZINC000562958666 290085887 /nfs/dbraw/zinc/08/58/87/290085887.db2.gz JYKQZSIASLYDDR-OCCSQVGLSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000562958666 290085889 /nfs/dbraw/zinc/08/58/89/290085889.db2.gz JYKQZSIASLYDDR-OCCSQVGLSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CCCNC1 ZINC000566004159 290340377 /nfs/dbraw/zinc/34/03/77/290340377.db2.gz YKNQHEZOSQSTFJ-YNEHKIRRSA-N 1 3 260.372 2.790 10 0 CFAEHO C[C@H](NC[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566004159 290340380 /nfs/dbraw/zinc/34/03/80/290340380.db2.gz YKNQHEZOSQSTFJ-YNEHKIRRSA-N 1 3 260.372 2.790 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCC[C@H](C)C2)CCOCC1 ZINC000052180799 519719728 /nfs/dbraw/zinc/71/97/28/519719728.db2.gz UXQOJTGCKMKEKD-HNNXBMFYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052380707 519743781 /nfs/dbraw/zinc/74/37/81/519743781.db2.gz ILPOSYZZNNPLLG-SOUVJXGZSA-N 1 3 256.434 2.510 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@H](C)CCC)CCOCC1 ZINC000052181879 519909571 /nfs/dbraw/zinc/90/95/71/519909571.db2.gz VSLBCFQJURWCDG-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@H](C)CCC)CCOCC1 ZINC000052181879 519909575 /nfs/dbraw/zinc/90/95/75/519909575.db2.gz VSLBCFQJURWCDG-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@H](C)CCC)CCOCC1 ZINC000052181879 519909578 /nfs/dbraw/zinc/90/95/78/519909578.db2.gz VSLBCFQJURWCDG-OAHLLOKOSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(CCC)C2CC2)CCOCC1 ZINC000052181422 519910312 /nfs/dbraw/zinc/91/03/12/519910312.db2.gz UABIQYNWJQSSPO-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC1(C)CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000061818783 520381707 /nfs/dbraw/zinc/38/17/07/520381707.db2.gz FEKRVPUDXDLWDJ-UHFFFAOYSA-N 1 3 250.361 2.906 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCN([C@@H](C)CC)CC1 ZINC000069380859 521120657 /nfs/dbraw/zinc/12/06/57/521120657.db2.gz WFUICEMQGPZNQG-HOTGVXAUSA-N 1 3 269.477 2.700 10 0 CFAEHO CC(C)CN(CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052182775 519714756 /nfs/dbraw/zinc/71/47/56/519714756.db2.gz LXRIBBRXMOSIAV-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[N@H+](CC1(CNC(C)C)CCOCC1)C1CC1 ZINC000052182775 519714758 /nfs/dbraw/zinc/71/47/58/519714758.db2.gz LXRIBBRXMOSIAV-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[N@@H+](CC1(CNC(C)C)CCOCC1)C1CC1 ZINC000052182775 519714759 /nfs/dbraw/zinc/71/47/59/519714759.db2.gz LXRIBBRXMOSIAV-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417334 519721097 /nfs/dbraw/zinc/72/10/97/519721097.db2.gz MIHGWFRNOYJADA-QGZVFWFLSA-N 1 3 289.467 2.975 10 0 CFAEHO CCC1CCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052197897 519859046 /nfs/dbraw/zinc/85/90/46/519859046.db2.gz UXJHNIPCYXHWRV-UHFFFAOYSA-N 1 3 280.456 2.657 10 0 CFAEHO CCC1CC[NH+](CC2(CNC3CC3)CCOCC2)CC1 ZINC000052197897 519859048 /nfs/dbraw/zinc/85/90/48/519859048.db2.gz UXJHNIPCYXHWRV-UHFFFAOYSA-N 1 3 280.456 2.657 10 0 CFAEHO CCC1CCN(CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052197895 519859227 /nfs/dbraw/zinc/85/92/27/519859227.db2.gz YGBNFTNMHPAGCB-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@H](C)C2)CCOCC1 ZINC000052180794 519911059 /nfs/dbraw/zinc/91/10/59/519911059.db2.gz UDSMTIOBVKMSDG-HNNXBMFYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCC[NH2+]CC1(CN2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180551 519911166 /nfs/dbraw/zinc/91/11/66/519911166.db2.gz MDLFJQOOJTYAFW-HOTGVXAUSA-N 1 3 282.472 2.761 10 0 CFAEHO CCCNCC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180551 519911169 /nfs/dbraw/zinc/91/11/69/519911169.db2.gz MDLFJQOOJTYAFW-HOTGVXAUSA-N 1 3 282.472 2.761 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197660 519911913 /nfs/dbraw/zinc/91/19/13/519911913.db2.gz ZIMZSKJPUDOISM-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197660 519911917 /nfs/dbraw/zinc/91/19/17/519911917.db2.gz ZIMZSKJPUDOISM-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[NH2+]CC1(CN(C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197660 519911919 /nfs/dbraw/zinc/91/19/19/519911919.db2.gz ZIMZSKJPUDOISM-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]C[C@@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419168 519926807 /nfs/dbraw/zinc/92/68/07/519926807.db2.gz KIHUDLWGDSMGJP-ZWKOTPCHSA-N 1 3 288.435 2.592 10 0 CFAEHO CCC[NH2+]C[C@]1(CN(CC)CC2CC2)CCCOC1 ZINC000069239937 519940685 /nfs/dbraw/zinc/94/06/85/519940685.db2.gz KLPBPRRFPIMEEP-INIZCTEOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNC[C@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069239937 519940695 /nfs/dbraw/zinc/94/06/95/519940695.db2.gz KLPBPRRFPIMEEP-INIZCTEOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNC[C@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069239937 519940700 /nfs/dbraw/zinc/94/07/00/519940700.db2.gz KLPBPRRFPIMEEP-INIZCTEOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCCN(C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180926 520397978 /nfs/dbraw/zinc/39/79/78/520397978.db2.gz IRAGFLFKXCDFDK-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC(C)(C)[N@H+](C)CCC(=O)Nc1cccc(CN)c1 ZINC000069429289 521301924 /nfs/dbraw/zinc/30/19/24/521301924.db2.gz OSMZSKNDGBZGOJ-UHFFFAOYSA-N 1 3 277.412 2.594 10 0 CFAEHO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc(CN)c1 ZINC000069429289 521301933 /nfs/dbraw/zinc/30/19/33/521301933.db2.gz OSMZSKNDGBZGOJ-UHFFFAOYSA-N 1 3 277.412 2.594 10 0 CFAEHO CCN(Cc1occc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052504765 521471076 /nfs/dbraw/zinc/47/10/76/521471076.db2.gz LISQELUWSZXILS-CYBMUJFWSA-N 1 3 268.401 2.634 10 0 CFAEHO CCC[N@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000052182663 521624749 /nfs/dbraw/zinc/62/47/49/521624749.db2.gz MMIZBRPREYQWTB-UHFFFAOYSA-N 1 3 280.456 2.657 10 0 CFAEHO CCC[N@@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000052182663 521624753 /nfs/dbraw/zinc/62/47/53/521624753.db2.gz MMIZBRPREYQWTB-UHFFFAOYSA-N 1 3 280.456 2.657 10 0 CFAEHO COCc1cccc(C[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000052205685 523052382 /nfs/dbraw/zinc/05/23/82/523052382.db2.gz QIDGEOMOOZKDQR-KRWDZBQOSA-N 1 3 276.424 2.797 10 0 CFAEHO C[C@@H]1CCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052182196 524503546 /nfs/dbraw/zinc/50/35/46/524503546.db2.gz VSILNEAGAMXRTG-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO Cc1cccc(N2CCN(CCCC[C@H](C)[NH3+])CC2)c1C ZINC000045599269 524556182 /nfs/dbraw/zinc/55/61/82/524556182.db2.gz QEWLCCJFGKVLLD-INIZCTEOSA-N 1 3 289.467 2.943 10 0 CFAEHO C[C@H]([N@H+](C)CC1(CNC2CC2)CCOCC1)C(C)(C)C ZINC000052182309 524813965 /nfs/dbraw/zinc/81/39/65/524813965.db2.gz WKFURBIMMDSIMK-AWEZNQCLSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@H]([N@@H+](C)CC1(CNC2CC2)CCOCC1)C(C)(C)C ZINC000052182309 524813978 /nfs/dbraw/zinc/81/39/78/524813978.db2.gz WKFURBIMMDSIMK-AWEZNQCLSA-N 1 3 282.472 2.902 10 0 CFAEHO Cc1cc(F)ccc1[C@H](C[NH3+])N(CCN(C)C)CC(C)C ZINC000050579168 525007805 /nfs/dbraw/zinc/00/78/05/525007805.db2.gz LYQQEJZOOHYKKU-KRWDZBQOSA-N 1 3 295.446 2.654 10 0 CFAEHO c1ccc2c(c1)OCC[C@H]2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197619 526511161 /nfs/dbraw/zinc/51/11/61/526511161.db2.gz OTLMNTSYYGVONV-DLBZAZTESA-N 1 3 286.419 2.974 10 0 CFAEHO Cc1ncc(C[NH2+]CC[C@H](N)c2ccccc2)s1 ZINC000049538890 527270863 /nfs/dbraw/zinc/27/08/63/527270863.db2.gz RLJXPSYRISKFBN-AWEZNQCLSA-N 1 3 261.394 2.631 10 0 CFAEHO C[C@H](NC1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000399099154 619086040 /nfs/dbraw/zinc/08/60/40/619086040.db2.gz ZPGVIYIJEASLHV-JTQLQIEISA-N 1 3 288.844 2.509 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3coc4ccccc34)C[C@@H]12 ZINC000261576898 619172262 /nfs/dbraw/zinc/17/22/62/619172262.db2.gz CJZDMZRBWMBEBS-NILFDRSVSA-N 1 3 256.349 2.602 10 0 CFAEHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251693926 650992770 /nfs/dbraw/zinc/99/27/70/650992770.db2.gz LUMZPMLCUIDXBF-CHIMOYNISA-N 1 3 254.324 2.743 10 0 CFAEHO CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(F)cc21 ZINC000082509365 178076023 /nfs/dbraw/zinc/07/60/23/178076023.db2.gz ANJJBJNXPSRSJD-CQSZACIVSA-N 1 3 278.371 2.723 10 0 CFAEHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCC(F)(F)CC1 ZINC000423265391 290049954 /nfs/dbraw/zinc/04/99/54/290049954.db2.gz CXABCFRXCLGBNZ-DRZSPHRISA-N 1 3 260.372 2.917 10 0 CFAEHO CCN(CCCCC[NH3+])Cc1ccccc1OC ZINC000034478258 346317689 /nfs/dbraw/zinc/31/76/89/346317689.db2.gz LKDABYLCDZPPSP-UHFFFAOYSA-N 1 3 250.386 2.646 10 0 CFAEHO NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000118850016 347798629 /nfs/dbraw/zinc/79/86/29/347798629.db2.gz KAXQIIGCHQPXCF-QZTJIDSGSA-N 1 3 266.388 2.861 10 0 CFAEHO NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000118850016 347798633 /nfs/dbraw/zinc/79/86/33/347798633.db2.gz KAXQIIGCHQPXCF-QZTJIDSGSA-N 1 3 266.388 2.861 10 0 CFAEHO CC(C)N(C)CC[C@@H]([NH3+])CSc1ccccc1 ZINC000116469889 347787197 /nfs/dbraw/zinc/78/71/97/347787197.db2.gz VYAWLYBKURKNEV-CYBMUJFWSA-N 1 3 252.427 2.836 10 0 CFAEHO Cc1ccc(OC[C@H](C)N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818854 179347915 /nfs/dbraw/zinc/34/79/15/179347915.db2.gz PVHSENGPMZWTFL-JKSUJKDBSA-N 1 3 276.424 2.836 10 0 CFAEHO Cc1ccc(OC[C@H](C)N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818854 179347917 /nfs/dbraw/zinc/34/79/17/179347917.db2.gz PVHSENGPMZWTFL-JKSUJKDBSA-N 1 3 276.424 2.836 10 0 CFAEHO C[N@@H+]1CCC[C@H](NCc2cc3c(s2)CCC3)CC1 ZINC000086818865 179348341 /nfs/dbraw/zinc/34/83/41/179348341.db2.gz ZFTZNZKDJUYNJV-ZDUSSCGKSA-N 1 3 264.438 2.811 10 0 CFAEHO C[N@H+]1CCC[C@H](NCc2cc3c(s2)CCC3)CC1 ZINC000086818865 179348343 /nfs/dbraw/zinc/34/83/43/179348343.db2.gz ZFTZNZKDJUYNJV-ZDUSSCGKSA-N 1 3 264.438 2.811 10 0 CFAEHO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817222 179344936 /nfs/dbraw/zinc/34/49/36/179344936.db2.gz KBLLZMCCJXEKGR-KGLIPLIRSA-N 1 3 262.397 2.830 10 0 CFAEHO CCC(CC)[N@H+](C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086847159 179356148 /nfs/dbraw/zinc/35/61/48/179356148.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 1 3 269.477 2.699 10 0 CFAEHO CCC(CC)[N@@H+](C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086847159 179356150 /nfs/dbraw/zinc/35/61/50/179356150.db2.gz NSOUVLCNKPRHMY-INIZCTEOSA-N 1 3 269.477 2.699 10 0 CFAEHO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840430 179352553 /nfs/dbraw/zinc/35/25/53/179352553.db2.gz BAJDKKYVMWSVLA-DZGCQCFKSA-N 1 3 262.397 2.917 10 0 CFAEHO c1ccc(C2(OCCN3CCCCC3)CC[NH2+]CC2)cc1 ZINC000584650012 348702031 /nfs/dbraw/zinc/70/20/31/348702031.db2.gz ROXQSPDAWNTFGM-UHFFFAOYSA-N 1 3 288.435 2.768 10 0 CFAEHO CC(C)CC[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000107801503 186191803 /nfs/dbraw/zinc/19/18/03/186191803.db2.gz BUDYTFVXLYPYJQ-UHFFFAOYSA-N 1 3 289.467 2.570 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738187 541029410 /nfs/dbraw/zinc/02/94/10/541029410.db2.gz ZXCQKXJVYPNAMJ-NILFDRSVSA-N 1 3 280.412 2.587 10 0 CFAEHO c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(CC4CC4)C3)C2)cc1 ZINC000026572855 372325559 /nfs/dbraw/zinc/32/55/59/372325559.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 1 3 270.420 2.850 10 0 CFAEHO c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(CC4CC4)C3)C2)cc1 ZINC000026572855 372325567 /nfs/dbraw/zinc/32/55/67/372325567.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 1 3 270.420 2.850 10 0 CFAEHO c1ccc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](CC2CC2)C3)cc1 ZINC000026572855 372325574 /nfs/dbraw/zinc/32/55/74/372325574.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 1 3 270.420 2.850 10 0 CFAEHO c1ccc(CN2C[C@H]3C[C@@H](C2)C[N@H+](CC2CC2)C3)cc1 ZINC000026572855 372325581 /nfs/dbraw/zinc/32/55/81/372325581.db2.gz GMCXFOAXHJZUDC-HDICACEKSA-N 1 3 270.420 2.850 10 0 CFAEHO C[C@H]([NH3+])[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000104417448 375783219 /nfs/dbraw/zinc/78/32/19/375783219.db2.gz XTYNSFHEMGWCHD-STQMWFEESA-N 1 3 255.365 2.798 10 0 CFAEHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000129319342 377411551 /nfs/dbraw/zinc/41/15/51/377411551.db2.gz IQJKKBADSZDIFM-GFCCVEGCSA-N 1 3 252.427 2.757 10 0 CFAEHO CC(C)(C[NH2+][C@@H]1CCCNCC1)c1cccs1 ZINC000129319342 377411554 /nfs/dbraw/zinc/41/15/54/377411554.db2.gz IQJKKBADSZDIFM-GFCCVEGCSA-N 1 3 252.427 2.757 10 0 CFAEHO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400505817 380862437 /nfs/dbraw/zinc/86/24/37/380862437.db2.gz DGPULFCDHXBZSZ-BJJXKVORSA-N 1 3 262.397 2.734 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000400326257 380854527 /nfs/dbraw/zinc/85/45/27/380854527.db2.gz CKFWNQSTCZYAAY-ZJUUUORDSA-N 1 3 258.818 2.532 10 0 CFAEHO C[C@@H](NCC(C)(C)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400428159 380859389 /nfs/dbraw/zinc/85/93/89/380859389.db2.gz ZHBANLJEOHZUDX-VXGBXAGGSA-N 1 3 252.427 2.613 10 0 CFAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC1CC(OC(C)C)C1 ZINC000189550946 382623083 /nfs/dbraw/zinc/62/30/83/382623083.db2.gz MOVTYKSXSNVRPN-HWOWSKLDSA-N 1 3 268.445 2.652 10 0 CFAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC1CC(OC(C)C)C1 ZINC000189550946 382623084 /nfs/dbraw/zinc/62/30/84/382623084.db2.gz MOVTYKSXSNVRPN-HWOWSKLDSA-N 1 3 268.445 2.652 10 0 CFAEHO COCC1(CNc2ccnc3ccccc32)CC[NH2+]CC1 ZINC000261648218 383537621 /nfs/dbraw/zinc/53/76/21/383537621.db2.gz JJAFUQPPPJFFTO-UHFFFAOYSA-N 1 3 285.391 2.663 10 0 CFAEHO CN(CCSCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262014833 383594437 /nfs/dbraw/zinc/59/44/37/383594437.db2.gz VMPLVQQNFBNADS-MRXNPFEDSA-N 1 3 278.465 2.994 10 0 CFAEHO [NH3+]C[C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000261792141 383561219 /nfs/dbraw/zinc/56/12/19/383561219.db2.gz LDGIZRPSKUMBCH-CVEARBPZSA-N 1 3 272.417 2.922 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643458020 384640345 /nfs/dbraw/zinc/64/03/45/384640345.db2.gz NFCPROKXTBFZQA-VYDXJSESSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643458020 384640357 /nfs/dbraw/zinc/64/03/57/384640357.db2.gz NFCPROKXTBFZQA-VYDXJSESSA-N 1 3 276.424 2.569 10 0 CFAEHO CC(C)OC1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000643475838 384654705 /nfs/dbraw/zinc/65/47/05/384654705.db2.gz PUQLKDXXXMECMY-QVOMUQBLSA-N 1 3 268.445 2.700 10 0 CFAEHO Brc1cccc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000313718811 393523149 /nfs/dbraw/zinc/52/31/49/393523149.db2.gz OXJNCJAXMFJXPW-CQSZACIVSA-N 1 3 297.240 2.723 10 0 CFAEHO Brc1cccc(CC[NH2+][C@@H]2CCCNCC2)c1 ZINC000313718811 393523154 /nfs/dbraw/zinc/52/31/54/393523154.db2.gz OXJNCJAXMFJXPW-CQSZACIVSA-N 1 3 297.240 2.723 10 0 CFAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000381735749 393566996 /nfs/dbraw/zinc/56/69/96/393566996.db2.gz TWZVPQVCNUQJJC-UPJWGTAASA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000381735749 393567001 /nfs/dbraw/zinc/56/70/01/393567001.db2.gz TWZVPQVCNUQJJC-UPJWGTAASA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000381735749 393567005 /nfs/dbraw/zinc/56/70/05/393567005.db2.gz TWZVPQVCNUQJJC-UPJWGTAASA-N 1 3 260.372 2.729 10 0 CFAEHO c1ccc2c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)ccnc2c1 ZINC000111763488 393886280 /nfs/dbraw/zinc/88/62/80/393886280.db2.gz FQDMEOVFFGFMCV-AWEZNQCLSA-N 1 3 281.403 2.809 10 0 CFAEHO c1ccc2c(CNC[C@@H]3CC[N@@H+](C4CC4)C3)ccnc2c1 ZINC000111763488 393886284 /nfs/dbraw/zinc/88/62/84/393886284.db2.gz FQDMEOVFFGFMCV-AWEZNQCLSA-N 1 3 281.403 2.809 10 0 CFAEHO c1ccc2c(CNC[C@@H]3CC[N@H+](C4CC4)C3)ccnc2c1 ZINC000111763488 393886288 /nfs/dbraw/zinc/88/62/88/393886288.db2.gz FQDMEOVFFGFMCV-AWEZNQCLSA-N 1 3 281.403 2.809 10 0 CFAEHO CN(C[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000300241414 397636893 /nfs/dbraw/zinc/63/68/93/397636893.db2.gz DTCDPRYAIVEBNE-GJZGRUSLSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@H+](C[C@@H]1CCOc2ccccc21)[C@H]1CCCNCC1 ZINC000300241414 397636897 /nfs/dbraw/zinc/63/68/97/397636897.db2.gz DTCDPRYAIVEBNE-GJZGRUSLSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@@H+](C[C@@H]1CCOc2ccccc21)[C@H]1CCCNCC1 ZINC000300241414 397636899 /nfs/dbraw/zinc/63/68/99/397636899.db2.gz DTCDPRYAIVEBNE-GJZGRUSLSA-N 1 3 274.408 2.627 10 0 CFAEHO COc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1O ZINC000019905844 170917428 /nfs/dbraw/zinc/91/74/28/170917428.db2.gz LKYRBFWHBWIHAQ-GFCCVEGCSA-N 1 3 280.412 2.639 10 0 CFAEHO CC[NH+]1CCC([C@H](C)N[C@@H](C)c2ccccn2)CC1 ZINC000037220370 173039422 /nfs/dbraw/zinc/03/94/22/173039422.db2.gz HLJCREXVFMZDQX-KBPBESRZSA-N 1 3 261.413 2.853 10 0 CFAEHO CC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC000037538102 173257965 /nfs/dbraw/zinc/25/79/65/173257965.db2.gz VISGFNLJLMQKDW-UHFFFAOYSA-N 1 3 252.789 2.914 10 0 CFAEHO CC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC000037538102 173257968 /nfs/dbraw/zinc/25/79/68/173257968.db2.gz VISGFNLJLMQKDW-UHFFFAOYSA-N 1 3 252.789 2.914 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096063 174110570 /nfs/dbraw/zinc/11/05/70/174110570.db2.gz SUMRFZLHMVMBGG-PMPSAXMXSA-N 1 3 268.445 2.656 10 0 CFAEHO Cc1cc(NCC[C@@H]([NH3+])C(C)C)c2ccccc2n1 ZINC000663276299 414666727 /nfs/dbraw/zinc/66/67/27/414666727.db2.gz QHSAXVRJQAIBDV-CQSZACIVSA-N 1 3 257.381 2.750 10 0 CFAEHO NC[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693785 174377671 /nfs/dbraw/zinc/37/76/71/174377671.db2.gz VXPMJKRGMUQPBU-GOSISDBHSA-N 1 3 287.451 2.637 10 0 CFAEHO NCC1([N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424620 175040220 /nfs/dbraw/zinc/04/02/20/175040220.db2.gz BBLFBQHQUWYWGA-LSDHHAIUSA-N 1 3 266.429 2.682 10 0 CFAEHO NCC1([N@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424620 175040221 /nfs/dbraw/zinc/04/02/21/175040221.db2.gz BBLFBQHQUWYWGA-LSDHHAIUSA-N 1 3 266.429 2.682 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCN(CCC)CC1 ZINC000043805661 175107402 /nfs/dbraw/zinc/10/74/02/175107402.db2.gz FGQISNUTRYRHEB-SJORKVTESA-N 1 3 283.504 2.961 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815405 175112148 /nfs/dbraw/zinc/11/21/48/175112148.db2.gz GOZYTPVFHXFWMU-PVAVHDDUSA-N 1 3 281.488 2.569 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@H](CC)N(C)C1CCN(C)CC1 ZINC000043815453 175112283 /nfs/dbraw/zinc/11/22/83/175112283.db2.gz BHGFCVARJCNXIW-IRXDYDNUSA-N 1 3 283.504 2.959 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815300 175112289 /nfs/dbraw/zinc/11/22/89/175112289.db2.gz FCILCAZJHYYHHT-QAPCUYQASA-N 1 3 289.467 2.752 10 0 CFAEHO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCN(C(C)C)CC1 ZINC000043897000 175119919 /nfs/dbraw/zinc/11/99/19/175119919.db2.gz KQJBPDDCSCIXEZ-QZTJIDSGSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965483 175127160 /nfs/dbraw/zinc/12/71/60/175127160.db2.gz BIHSFGNXEQOOLX-CVEARBPZSA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1C ZINC000043965508 175127192 /nfs/dbraw/zinc/12/71/92/175127192.db2.gz WXGWBGNVHMGIKW-QGZVFWFLSA-N 1 3 289.467 2.672 10 0 CFAEHO C[NH2+][C@@H](CN(CCN(C)C)CC(C)C)c1ccccc1C ZINC000043982074 175133926 /nfs/dbraw/zinc/13/39/26/175133926.db2.gz PVSKFPFXDDJJBX-SFHVURJKSA-N 1 3 291.483 2.775 10 0 CFAEHO CCN(Cc1cc([C@@H](C)[NH2+]C)ccc1OC)[C@@H](C)COC ZINC000043981221 175134095 /nfs/dbraw/zinc/13/40/95/175134095.db2.gz WLMQCYWYYIEWMB-UONOGXRCSA-N 1 3 294.439 2.832 10 0 CFAEHO C[NH+](C)C1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044133055 175145586 /nfs/dbraw/zinc/14/55/86/175145586.db2.gz ZFDBYRYVKMPLII-BMFZPTHFSA-N 1 3 282.472 2.588 10 0 CFAEHO CC[NH+]1CCC(Cn2c(N)nc3cc(C)ccc32)CC1 ZINC000044526475 175191393 /nfs/dbraw/zinc/19/13/93/175191393.db2.gz DOILHTFBFRMFQU-UHFFFAOYSA-N 1 3 272.396 2.659 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747331 175243039 /nfs/dbraw/zinc/24/30/39/175243039.db2.gz FBPSHUPMWPDWEY-SCLBCKFNSA-N 1 3 286.419 2.844 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747331 175243040 /nfs/dbraw/zinc/24/30/40/175243040.db2.gz FBPSHUPMWPDWEY-SCLBCKFNSA-N 1 3 286.419 2.844 10 0 CFAEHO C[NH2+]C[C@H]1CCCN(c2cc(C)nc3ccccc32)C1 ZINC000040601836 277283443 /nfs/dbraw/zinc/28/34/43/277283443.db2.gz VMSVJDITAPXWIV-CQSZACIVSA-N 1 3 269.392 2.979 10 0 CFAEHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000515828749 281298090 /nfs/dbraw/zinc/29/80/90/281298090.db2.gz HXFFFWNQLLHEES-XDQVBPFNSA-N 1 3 256.459 2.638 10 0 CFAEHO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261870643 301343831 /nfs/dbraw/zinc/34/38/31/301343831.db2.gz ZATBPKNTTRTHHH-NWANDNLSSA-N 1 3 267.376 2.717 10 0 CFAEHO Cc1nc(C)c([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089150276 302579429 /nfs/dbraw/zinc/57/94/29/302579429.db2.gz QEJIMBITDKNPGT-MVWJERBFSA-N 1 3 253.415 2.538 10 0 CFAEHO Cc1ccc2nccc(N3CC[C@@H]([NH+](C)C)C3)c2c1 ZINC000185626025 323968278 /nfs/dbraw/zinc/96/82/78/323968278.db2.gz ZHAAHCQESWBBID-CYBMUJFWSA-N 1 3 255.365 2.684 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)s1 ZINC000582295402 325193220 /nfs/dbraw/zinc/19/32/20/325193220.db2.gz HFXXHTGOXWWLMF-IACUBPJLSA-N 1 3 266.454 2.965 10 0 CFAEHO CCC1CC[NH+](Cc2cc(CNC)oc2C)CC1 ZINC000052347084 519859393 /nfs/dbraw/zinc/85/93/93/519859393.db2.gz PLRHDLOFFFEIDE-UHFFFAOYSA-N 1 3 250.386 2.929 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182298 519912126 /nfs/dbraw/zinc/91/21/26/519912126.db2.gz KDKMANXEMHCJND-AWEZNQCLSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182298 519912127 /nfs/dbraw/zinc/91/21/27/519912127.db2.gz KDKMANXEMHCJND-AWEZNQCLSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[NH2+]CC1(CN(C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182298 519912132 /nfs/dbraw/zinc/91/21/32/519912132.db2.gz KDKMANXEMHCJND-AWEZNQCLSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182063 519913121 /nfs/dbraw/zinc/91/31/21/519913121.db2.gz FEGLKFPGPDFSTB-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@H+]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182063 519913123 /nfs/dbraw/zinc/91/31/23/519913123.db2.gz FEGLKFPGPDFSTB-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[NH2+]CC1(CN2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000052182063 519913124 /nfs/dbraw/zinc/91/31/24/519913124.db2.gz FEGLKFPGPDFSTB-GJZGRUSLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@H]1CCSC1 ZINC000052453165 519959370 /nfs/dbraw/zinc/95/93/70/519959370.db2.gz VRQXBZHQLOSNFT-ZDUSSCGKSA-N 1 3 268.426 2.717 10 0 CFAEHO CCC(CC)[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181722 521543558 /nfs/dbraw/zinc/54/35/58/521543558.db2.gz PBGGFGYKXYQCIF-UHFFFAOYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC(CC)[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181722 521543566 /nfs/dbraw/zinc/54/35/66/521543566.db2.gz PBGGFGYKXYQCIF-UHFFFAOYSA-N 1 3 270.461 2.902 10 0 CFAEHO CNCc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000052373468 522108187 /nfs/dbraw/zinc/10/81/87/522108187.db2.gz CINYDHBTQAHOHC-RYUDHWBXSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000052373468 522108196 /nfs/dbraw/zinc/10/81/96/522108196.db2.gz CINYDHBTQAHOHC-RYUDHWBXSA-N 1 3 250.386 2.928 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCC[C@H]2C)CCOCC1 ZINC000052180453 519742806 /nfs/dbraw/zinc/74/28/06/519742806.db2.gz VTKZQRCABLDOST-OAHLLOKOSA-N 1 3 268.445 2.513 10 0 CFAEHO CC(C)C[NH2+]CCCCCN1CCOCC1(C)C ZINC000052546173 519743404 /nfs/dbraw/zinc/74/34/04/519743404.db2.gz WVKPSNRYQDUMEQ-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)OC1CCN(C)CC1 ZINC000052596462 519815858 /nfs/dbraw/zinc/81/58/58/519815858.db2.gz HXUQFKAZQRVPCP-AWEZNQCLSA-N 1 3 256.434 2.510 10 0 CFAEHO CCCN1CCN(CC2(C[NH2+]C3CC3)CCCCC2)CC1 ZINC000051207506 519857670 /nfs/dbraw/zinc/85/76/70/519857670.db2.gz DLACBFJTLKDHEE-UHFFFAOYSA-N 1 3 293.499 2.717 10 0 CFAEHO CCCN1CCN(Cc2ccoc2C[NH2+]CC(C)C)CC1 ZINC000052422086 519859207 /nfs/dbraw/zinc/85/92/07/519859207.db2.gz IDTJMSRAFCVYHL-UHFFFAOYSA-N 1 3 293.455 2.553 10 0 CFAEHO CCCC1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000050893886 519902135 /nfs/dbraw/zinc/90/21/35/519902135.db2.gz JYPXNCQTNODVLT-UHFFFAOYSA-N 1 3 259.397 2.983 10 0 CFAEHO CCC[NH2+]C[C@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419947 519934260 /nfs/dbraw/zinc/93/42/60/519934260.db2.gz HQJJODNXHXVIRU-GOSISDBHSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+]C[C@H](c1ccccc1)N1CCN(CCC)CC1 ZINC000052422101 519935033 /nfs/dbraw/zinc/93/50/33/519935033.db2.gz BYIOGHKXVDHYNF-GOSISDBHSA-N 1 3 289.467 2.755 10 0 CFAEHO CCCNCc1cc(COCCC[NH+](C)C)c(C)o1 ZINC000052672676 519944874 /nfs/dbraw/zinc/94/48/74/519944874.db2.gz LLFRHURWCURQML-UHFFFAOYSA-N 1 3 268.401 2.556 10 0 CFAEHO CCC[NH2+][C@H](C)c1ccc(F)cc1OCCN(C)C ZINC000062747449 520065288 /nfs/dbraw/zinc/06/52/88/520065288.db2.gz TVOAQCNFUCNMBS-GFCCVEGCSA-N 1 3 268.376 2.827 10 0 CFAEHO CCC[C@@H](C)[N@H+](C)CC1(CNCC)CCOCC1 ZINC000052181875 520646152 /nfs/dbraw/zinc/64/61/52/520646152.db2.gz SOSBMMPUYNHZQR-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[C@@H](C)[N@@H+](C)CC1(CNCC)CCOCC1 ZINC000052181875 520646156 /nfs/dbraw/zinc/64/61/56/520646156.db2.gz SOSBMMPUYNHZQR-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[C@@H](C)N(C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181875 520646163 /nfs/dbraw/zinc/64/61/63/520646163.db2.gz SOSBMMPUYNHZQR-CQSZACIVSA-N 1 3 256.434 2.513 10 0 CFAEHO CCN(CCC[C@H]1CCCC[NH2+]1)Cc1ccncc1 ZINC000050953415 521042761 /nfs/dbraw/zinc/04/27/61/521042761.db2.gz HZGYKZIJEJARGF-MRXNPFEDSA-N 1 3 261.413 2.826 10 0 CFAEHO CCC(C)(C)[N@@H+](C)C[C@@]1(CNCC(C)C)CCOC1 ZINC000069443749 521304970 /nfs/dbraw/zinc/30/49/70/521304970.db2.gz YTOIAOJGCFKLQV-INIZCTEOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC(C)(C)N(C)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069443749 521304955 /nfs/dbraw/zinc/30/49/55/521304955.db2.gz YTOIAOJGCFKLQV-INIZCTEOSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC(C)(C)[N@H+](C)C[C@@]1(CNCC(C)C)CCOC1 ZINC000069443749 521304960 /nfs/dbraw/zinc/30/49/60/521304960.db2.gz YTOIAOJGCFKLQV-INIZCTEOSA-N 1 3 270.461 2.759 10 0 CFAEHO CNCc1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000052378791 522139940 /nfs/dbraw/zinc/13/99/40/522139940.db2.gz UPLBFDFQTHHQAW-AWEZNQCLSA-N 1 3 262.397 2.659 10 0 CFAEHO CNCc1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000052378791 522139949 /nfs/dbraw/zinc/13/99/49/522139949.db2.gz UPLBFDFQTHHQAW-AWEZNQCLSA-N 1 3 262.397 2.659 10 0 CFAEHO CNCc1coc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373106 522147942 /nfs/dbraw/zinc/14/79/42/522147942.db2.gz WEBFEJFHXWOCEA-INIZCTEOSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1coc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373106 522147949 /nfs/dbraw/zinc/14/79/49/522147949.db2.gz WEBFEJFHXWOCEA-INIZCTEOSA-N 1 3 270.376 2.989 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OCCN(C)C)c(Cl)c1 ZINC000061699548 522449552 /nfs/dbraw/zinc/44/95/52/522449552.db2.gz ZCFQHJFWTDUXHA-SNVBAGLBSA-N 1 3 256.777 2.561 10 0 CFAEHO CC[C@@H](C[NH2+]CC(C)C)OCCN1CCCCC1 ZINC000052670708 522548618 /nfs/dbraw/zinc/54/86/18/522548618.db2.gz FMFDJPKAGUQOPB-HNNXBMFYSA-N 1 3 256.434 2.513 10 0 CFAEHO C[C@H](CCC[NH2+]C1CC1)N1CCN(c2ccccc2)CC1 ZINC000052417337 524143211 /nfs/dbraw/zinc/14/32/11/524143211.db2.gz IYOJLUNKTSTJGO-MRXNPFEDSA-N 1 3 287.451 2.729 10 0 CFAEHO C[C@@H]1CCC[N@H+](CCOc2ccccc2CN)[C@@H]1C ZINC000050563608 524229948 /nfs/dbraw/zinc/22/99/48/524229948.db2.gz DHPCNWFKEBMCDF-ZIAGYGMSSA-N 1 3 262.397 2.645 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CCOc2ccccc2CN)[C@@H]1C ZINC000050563608 524229959 /nfs/dbraw/zinc/22/99/59/524229959.db2.gz DHPCNWFKEBMCDF-ZIAGYGMSSA-N 1 3 262.397 2.645 10 0 CFAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000061815909 524671357 /nfs/dbraw/zinc/67/13/57/524671357.db2.gz VLGAAEKUGDKYML-HUUCEWRRSA-N 1 3 262.397 2.515 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccccc1CN ZINC000050563609 525638888 /nfs/dbraw/zinc/63/88/88/525638888.db2.gz DHPCNWFKEBMCDF-UONOGXRCSA-N 1 3 262.397 2.645 10 0 CFAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccccc1CN ZINC000050563609 525638896 /nfs/dbraw/zinc/63/88/96/525638896.db2.gz DHPCNWFKEBMCDF-UONOGXRCSA-N 1 3 262.397 2.645 10 0 CFAEHO Cc1occc1CN(C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052346581 526826153 /nfs/dbraw/zinc/82/61/53/526826153.db2.gz LXXOQRJIQPCUPB-GFCCVEGCSA-N 1 3 250.386 2.941 10 0 CFAEHO C[N@@H+]1CCC[C@@]2(CC1)NC1(CCCCC1)CCO2 ZINC000757150398 617830368 /nfs/dbraw/zinc/83/03/68/617830368.db2.gz PRASRLJKDMDUGT-OAHLLOKOSA-N 1 3 252.402 2.511 10 0 CFAEHO C[N@H+]1CCC[C@@]2(CC1)NC1(CCCCC1)CCO2 ZINC000757150398 617830377 /nfs/dbraw/zinc/83/03/77/617830377.db2.gz PRASRLJKDMDUGT-OAHLLOKOSA-N 1 3 252.402 2.511 10 0 CFAEHO CN1CCC[C@@]2(CC1)[NH2+]C1(CCCCC1)CCO2 ZINC000757150398 617830383 /nfs/dbraw/zinc/83/03/83/617830383.db2.gz PRASRLJKDMDUGT-OAHLLOKOSA-N 1 3 252.402 2.511 10 0 CFAEHO C/C(=C/c1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000096839389 618200133 /nfs/dbraw/zinc/20/01/33/618200133.db2.gz GYIVENNAGFGWQT-NMVBRADZSA-N 1 3 256.393 2.916 10 0 CFAEHO C/C(=C/c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000096839389 618200136 /nfs/dbraw/zinc/20/01/36/618200136.db2.gz GYIVENNAGFGWQT-NMVBRADZSA-N 1 3 256.393 2.916 10 0 CFAEHO C[C@]1(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697419 618286891 /nfs/dbraw/zinc/28/68/91/618286891.db2.gz CAEUMVPNBPGADH-SQNIBIBYSA-N 1 3 288.435 2.574 10 0 CFAEHO C[C@H](c1ccccn1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261780827 618432651 /nfs/dbraw/zinc/43/26/51/618432651.db2.gz PKNOWOPAXOGEND-OIISXLGYSA-N 1 3 281.403 2.817 10 0 CFAEHO c1ccc(SCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129154417 645091467 /nfs/dbraw/zinc/09/14/67/645091467.db2.gz FLKMRAWXCNZCPR-CYBMUJFWSA-N 1 3 250.411 2.510 10 0 CFAEHO CC[NH+](CC)CCc1nc(C(C)(C)C)c(CN)s1 ZINC000082440852 178020409 /nfs/dbraw/zinc/02/04/09/178020409.db2.gz QPVAERQBTJNIEQ-UHFFFAOYSA-N 1 3 269.458 2.784 10 0 CFAEHO COc1ccc(CN(C)C)cc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817801 179345785 /nfs/dbraw/zinc/34/57/85/179345785.db2.gz SSQOIHSVMALZMJ-HNNXBMFYSA-N 1 3 291.439 2.653 10 0 CFAEHO COc1ccc(CN(C)C)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817801 179345787 /nfs/dbraw/zinc/34/57/87/179345787.db2.gz SSQOIHSVMALZMJ-HNNXBMFYSA-N 1 3 291.439 2.653 10 0 CFAEHO CCC[C@@H](COC)[NH2+][C@H]1CCCN(C(C)C)CC1 ZINC000086845520 179355756 /nfs/dbraw/zinc/35/57/56/179355756.db2.gz YCIHLXDBBBKSDJ-GJZGRUSLSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC[C@@H](COC)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845520 179355757 /nfs/dbraw/zinc/35/57/57/179355757.db2.gz YCIHLXDBBBKSDJ-GJZGRUSLSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC[C@@H](COC)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086845520 179355758 /nfs/dbraw/zinc/35/57/58/179355758.db2.gz YCIHLXDBBBKSDJ-GJZGRUSLSA-N 1 3 256.434 2.654 10 0 CFAEHO CCCN1CCC[C@](CN)([NH+](CC2CC2)CC2CC2)CC1 ZINC000086848928 179357813 /nfs/dbraw/zinc/35/78/13/179357813.db2.gz SKMZUXFTXIAYHJ-SFHVURJKSA-N 1 3 293.499 2.702 10 0 CFAEHO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000086840426 179354059 /nfs/dbraw/zinc/35/40/59/179354059.db2.gz BAJDKKYVMWSVLA-ZFWWWQNUSA-N 1 3 262.397 2.917 10 0 CFAEHO CCN1CCC[C@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086845165 179354370 /nfs/dbraw/zinc/35/43/70/179354370.db2.gz CTUHRCBMEMNYCK-HNNXBMFYSA-N 1 3 268.445 2.800 10 0 CFAEHO CC[N@@H+]1CCC[C@H](NCCOC2CCCCC2)CC1 ZINC000086845165 179354371 /nfs/dbraw/zinc/35/43/71/179354371.db2.gz CTUHRCBMEMNYCK-HNNXBMFYSA-N 1 3 268.445 2.800 10 0 CFAEHO CC[N@H+]1CCC[C@H](NCCOC2CCCCC2)CC1 ZINC000086845165 179354373 /nfs/dbraw/zinc/35/43/73/179354373.db2.gz CTUHRCBMEMNYCK-HNNXBMFYSA-N 1 3 268.445 2.800 10 0 CFAEHO CC(C)N1CCC[C@](CN)([N@H+](C)C2CCCCC2)CC1 ZINC000086846325 179354957 /nfs/dbraw/zinc/35/49/57/179354957.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 1 3 281.488 2.843 10 0 CFAEHO CC(C)N1CCC[C@](CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000086846325 179354959 /nfs/dbraw/zinc/35/49/59/179354959.db2.gz CYEMTMRRCOLLJY-KRWDZBQOSA-N 1 3 281.488 2.843 10 0 CFAEHO CC[N@H+](CC(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846852 179355390 /nfs/dbraw/zinc/35/53/90/179355390.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 1 3 269.477 2.556 10 0 CFAEHO CC[N@@H+](CC(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846852 179355393 /nfs/dbraw/zinc/35/53/93/179355393.db2.gz HXTKWYIDZXXKIL-INIZCTEOSA-N 1 3 269.477 2.556 10 0 CFAEHO CC(C)[N@@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086850928 179357985 /nfs/dbraw/zinc/35/79/85/179357985.db2.gz WLPOQSXAEGFTQT-KRWDZBQOSA-N 1 3 287.451 2.859 10 0 CFAEHO CC(C)[N@H+]1CCC[C@H](N2CCNCc3ccccc32)CC1 ZINC000086850928 179357987 /nfs/dbraw/zinc/35/79/87/179357987.db2.gz WLPOQSXAEGFTQT-KRWDZBQOSA-N 1 3 287.451 2.859 10 0 CFAEHO C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400400985 348572457 /nfs/dbraw/zinc/57/24/57/348572457.db2.gz KRQFIYCROAAPKA-WHOHXGKFSA-N 1 3 264.335 2.695 10 0 CFAEHO C[C@H](C[NH3+])CCN(C)Cc1cc(Br)cs1 ZINC000087999241 179534400 /nfs/dbraw/zinc/53/44/00/179534400.db2.gz SCKPTKUKQIWZPC-VIFPVBQESA-N 1 3 291.258 2.927 10 0 CFAEHO NCC[N@@H+]1CCCC[C@H]1c1cccc2ccncc21 ZINC000616616688 352385707 /nfs/dbraw/zinc/38/57/07/352385707.db2.gz TWHUXCCHKJRUCF-INIZCTEOSA-N 1 3 255.365 2.721 10 0 CFAEHO NCC[N@H+]1CCCC[C@H]1c1cccc2ccncc21 ZINC000616616688 352385709 /nfs/dbraw/zinc/38/57/09/352385709.db2.gz TWHUXCCHKJRUCF-INIZCTEOSA-N 1 3 255.365 2.721 10 0 CFAEHO NCC[N@@H+]1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616626627 352389882 /nfs/dbraw/zinc/38/98/82/352389882.db2.gz TWHUXCCHKJRUCF-MRXNPFEDSA-N 1 3 255.365 2.721 10 0 CFAEHO NCC[N@H+]1CCCC[C@@H]1c1cccc2ccncc21 ZINC000616626627 352389885 /nfs/dbraw/zinc/38/98/85/352389885.db2.gz TWHUXCCHKJRUCF-MRXNPFEDSA-N 1 3 255.365 2.721 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCC(F)(F)CC1 ZINC000423265389 299378799 /nfs/dbraw/zinc/37/87/99/299378799.db2.gz CXABCFRXCLGBNZ-CYZMBNFOSA-N 1 3 260.372 2.917 10 0 CFAEHO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133928035 377968041 /nfs/dbraw/zinc/96/80/41/377968041.db2.gz OFMLEPYMCWMSOG-RHSMWYFYSA-N 1 3 287.451 2.715 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400428542 380858787 /nfs/dbraw/zinc/85/87/87/380858787.db2.gz ZJVBENCXABWMOQ-UHTWSYAYSA-N 1 3 252.427 2.575 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400428544 380860171 /nfs/dbraw/zinc/86/01/71/380860171.db2.gz ZJVBENCXABWMOQ-WCFLWFBJSA-N 1 3 252.427 2.575 10 0 CFAEHO C[C@@H]1CC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423097664 383042461 /nfs/dbraw/zinc/04/24/61/383042461.db2.gz JOVJYQFAHWNSQU-YQPCPPDFSA-N 1 3 274.408 2.924 10 0 CFAEHO CCCOc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000635000362 383457036 /nfs/dbraw/zinc/45/70/36/383457036.db2.gz MUXVZYBJVOOUOZ-HIFRSBDPSA-N 1 3 262.397 2.502 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000569093368 383466529 /nfs/dbraw/zinc/46/65/29/383466529.db2.gz LXOFYPZOXCLIGC-SOLBZPMBSA-N 1 3 290.451 2.960 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000569093365 383466563 /nfs/dbraw/zinc/46/65/63/383466563.db2.gz LXOFYPZOXCLIGC-JFIYKMOQSA-N 1 3 290.451 2.960 10 0 CFAEHO C[C@@H](c1cccnc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261625604 383530515 /nfs/dbraw/zinc/53/05/15/383530515.db2.gz DICXHHFSYABDPJ-QGTPRVQTSA-N 1 3 281.403 2.817 10 0 CFAEHO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000261870640 383573064 /nfs/dbraw/zinc/57/30/64/383573064.db2.gz ZATBPKNTTRTHHH-CFVMTHIKSA-N 1 3 267.376 2.717 10 0 CFAEHO Cc1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000261957435 383586021 /nfs/dbraw/zinc/58/60/21/383586021.db2.gz OUVNHXFKGPIGRV-HNNXBMFYSA-N 1 3 273.424 2.569 10 0 CFAEHO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CCCNC1 ZINC000643460671 384643116 /nfs/dbraw/zinc/64/31/16/384643116.db2.gz AXEXCSTWAPAPPC-HUUCEWRRSA-N 1 3 260.425 2.942 10 0 CFAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000381735745 393567080 /nfs/dbraw/zinc/56/70/80/393567080.db2.gz TWZVPQVCNUQJJC-FRRDWIJNSA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000381735745 393567086 /nfs/dbraw/zinc/56/70/86/393567086.db2.gz TWZVPQVCNUQJJC-FRRDWIJNSA-N 1 3 260.372 2.729 10 0 CFAEHO C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000381735745 393567089 /nfs/dbraw/zinc/56/70/89/393567089.db2.gz TWZVPQVCNUQJJC-FRRDWIJNSA-N 1 3 260.372 2.729 10 0 CFAEHO CC[C@@](C)(O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249311151 393921556 /nfs/dbraw/zinc/92/15/56/393921556.db2.gz DUHMTXYTFCHRNE-DLBZAZTESA-N 1 3 282.472 2.735 10 0 CFAEHO C[C@H]1C[NH2+]C[C@H](NC2CCC(C(F)(F)F)CC2)C1 ZINC000401785846 413169935 /nfs/dbraw/zinc/16/99/35/413169935.db2.gz ZQEOMCPQBMCPLS-HBIQZDMRSA-N 1 3 264.335 2.695 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3C3CC3)C[C@H]12 ZINC000389222808 397539781 /nfs/dbraw/zinc/53/97/81/397539781.db2.gz WYBLVYSWJKIGBF-BHYGNILZSA-N 1 3 256.393 2.733 10 0 CFAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179640 171044308 /nfs/dbraw/zinc/04/43/08/171044308.db2.gz KZJPCHTZAKMVEU-MRXNPFEDSA-N 1 3 295.858 2.613 10 0 CFAEHO NC[C@H](c1cccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225352 171087370 /nfs/dbraw/zinc/08/73/70/171087370.db2.gz ITQRRJWQLLUFIZ-OAHLLOKOSA-N 1 3 293.480 2.556 10 0 CFAEHO CCCCCC[C@](C)(C[NH3+])N1CCN(CCC)CC1 ZINC000020362602 171161521 /nfs/dbraw/zinc/16/15/21/171161521.db2.gz MIYJLSITQVBKRH-MRXNPFEDSA-N 1 3 269.477 2.702 10 0 CFAEHO Cc1ccc(OC[C@H](CC[NH3+])N2CCCCC2)cc1 ZINC000020402226 171182393 /nfs/dbraw/zinc/18/23/93/171182393.db2.gz LSEMHAKUCQDERV-HNNXBMFYSA-N 1 3 262.397 2.577 10 0 CFAEHO CNCc1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000035661965 172340164 /nfs/dbraw/zinc/34/01/64/172340164.db2.gz UENJQPODLWLCGW-UHFFFAOYSA-N 1 3 277.195 2.653 10 0 CFAEHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C)C1 ZINC000037221932 173041826 /nfs/dbraw/zinc/04/18/26/173041826.db2.gz NVFKUCIVSKYEOY-OCCSQVGLSA-N 1 3 250.361 2.646 10 0 CFAEHO CO[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283245 414247530 /nfs/dbraw/zinc/24/75/30/414247530.db2.gz JWQIKJWWBFZOBY-FVQBIDKESA-N 1 3 268.445 2.559 10 0 CFAEHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)C1CCCCC1 ZINC000665283245 414247538 /nfs/dbraw/zinc/24/75/38/414247538.db2.gz JWQIKJWWBFZOBY-FVQBIDKESA-N 1 3 268.445 2.559 10 0 CFAEHO CC[C@H](N)[C@@H]([N@H+](C)C1CCN(CC)CC1)C(C)(C)C ZINC000043294573 174998988 /nfs/dbraw/zinc/99/89/88/174998988.db2.gz AWENABXDSNBIFO-LSDHHAIUSA-N 1 3 269.477 2.555 10 0 CFAEHO CC[C@H](N)[C@@H]([N@@H+](C)C1CCN(CC)CC1)C(C)(C)C ZINC000043294573 174998990 /nfs/dbraw/zinc/99/89/90/174998990.db2.gz AWENABXDSNBIFO-LSDHHAIUSA-N 1 3 269.477 2.555 10 0 CFAEHO C[C@@H](C[C@H](CN)[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534560 175062858 /nfs/dbraw/zinc/06/28/58/175062858.db2.gz RALPOHMFIZQUJD-MAUKXSAKSA-N 1 3 289.467 2.534 10 0 CFAEHO C[C@@H](C[C@H](CN)[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534560 175062860 /nfs/dbraw/zinc/06/28/60/175062860.db2.gz RALPOHMFIZQUJD-MAUKXSAKSA-N 1 3 289.467 2.534 10 0 CFAEHO C[NH2+]Cc1cccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000043559861 175065900 /nfs/dbraw/zinc/06/59/00/175065900.db2.gz GBPPJJXEELRSJO-IHRRRGAJSA-N 1 3 289.423 2.606 10 0 CFAEHO CCCN1CCN([C@@H]2C[C@H](CC)CC[C@@H]2[NH2+]CC)CC1 ZINC000043805507 175107524 /nfs/dbraw/zinc/10/75/24/175107524.db2.gz QHLGYRNPSIUEIY-IXDOHACOSA-N 1 3 281.488 2.571 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]C)c2ccc(CC)cc2)CC1 ZINC000043805381 175107534 /nfs/dbraw/zinc/10/75/34/175107534.db2.gz FMPSPTJGSVZEFL-SFHVURJKSA-N 1 3 289.467 2.537 10 0 CFAEHO CCCN1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805303 175107624 /nfs/dbraw/zinc/10/76/24/175107624.db2.gz RVKSIFYZYIZAQD-IKGGRYGDSA-N 1 3 295.515 2.817 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]CC)c2ccc(C)cc2)CC1 ZINC000043805455 175107660 /nfs/dbraw/zinc/10/76/60/175107660.db2.gz NFNGPHHCWABRQK-GOSISDBHSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N(C)C1CCN(C)CC1 ZINC000043815258 175111623 /nfs/dbraw/zinc/11/16/23/175111623.db2.gz PNORISTVBCPOKO-MSOLQXFVSA-N 1 3 289.467 2.752 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815298 175112644 /nfs/dbraw/zinc/11/26/44/175112644.db2.gz FCILCAZJHYYHHT-CRAIPNDOSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCCN(C)CC1 ZINC000043818584 175113748 /nfs/dbraw/zinc/11/37/48/175113748.db2.gz MGFXLEOCCPOJIF-HOTGVXAUSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+][C@H](CN1CCCN(C)CC1)c1ccccc1C ZINC000043818578 175113782 /nfs/dbraw/zinc/11/37/82/175113782.db2.gz NVJSSFPQILFGBF-GOSISDBHSA-N 1 3 289.467 2.673 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897153 175119879 /nfs/dbraw/zinc/11/98/79/175119879.db2.gz RMGRGMVKVUJHJF-ULQDDVLXSA-N 1 3 281.488 2.569 10 0 CFAEHO CC[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccccc1C ZINC000043897104 175119966 /nfs/dbraw/zinc/11/99/66/175119966.db2.gz HAFCXJUKNDTVFN-GOSISDBHSA-N 1 3 289.467 2.672 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897164 175120177 /nfs/dbraw/zinc/12/01/77/175120177.db2.gz OEHNOINPAJJAAM-IRXDYDNUSA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965446 175126528 /nfs/dbraw/zinc/12/65/28/175126528.db2.gz OTYDREYFEKYNPB-DOTOQJQBSA-N 1 3 289.467 2.752 10 0 CFAEHO O[C@@H]1CCCCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162296 175147627 /nfs/dbraw/zinc/14/76/27/175147627.db2.gz SLEIYQBAVQAUOF-DLBZAZTESA-N 1 3 280.456 2.630 10 0 CFAEHO CCc1cccc2c(CN3CCC[C@H](C[NH3+])C3)c[nH]c21 ZINC000044528018 175192916 /nfs/dbraw/zinc/19/29/16/175192916.db2.gz GQWOIMMXXXBJRS-CYBMUJFWSA-N 1 3 271.408 2.901 10 0 CFAEHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534771 175197359 /nfs/dbraw/zinc/19/73/59/175197359.db2.gz ICRDGHJDJTXDCU-CZUORRHYSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534771 175197360 /nfs/dbraw/zinc/19/73/60/175197360.db2.gz ICRDGHJDJTXDCU-CZUORRHYSA-N 1 3 262.397 2.775 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045136019 175313316 /nfs/dbraw/zinc/31/33/16/175313316.db2.gz MCIJDSMNFMMFED-CYBMUJFWSA-N 1 3 272.396 2.657 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045136019 175313317 /nfs/dbraw/zinc/31/33/17/175313317.db2.gz MCIJDSMNFMMFED-CYBMUJFWSA-N 1 3 272.396 2.657 10 0 CFAEHO Cc1c[nH+]ccc1NC[C@H]1NCCc2ccccc21 ZINC000261619193 279028421 /nfs/dbraw/zinc/02/84/21/279028421.db2.gz ULTYOKXTZGEKFX-MRXNPFEDSA-N 1 3 253.349 2.689 10 0 CFAEHO CC(C)NCC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197818 519719827 /nfs/dbraw/zinc/71/98/27/519719827.db2.gz NWXQBIJPEZTUOK-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)NCC1(C[N@@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197818 519719829 /nfs/dbraw/zinc/71/98/29/519719829.db2.gz NWXQBIJPEZTUOK-UHFFFAOYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCC[C@@H]2C)CCOCC1 ZINC000052180455 519742832 /nfs/dbraw/zinc/74/28/32/519742832.db2.gz VTKZQRCABLDOST-HNNXBMFYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC1(C)CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000061818784 520381167 /nfs/dbraw/zinc/38/11/67/520381167.db2.gz ADNPDRJVMICTCD-UHFFFAOYSA-N 1 3 250.361 2.906 10 0 CFAEHO CCCC[N@H+](CC1(CNC)CCOCC1)[C@@H](C)CC ZINC000052198189 520483435 /nfs/dbraw/zinc/48/34/35/520483435.db2.gz LNJUKQDPFHOFPG-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[N@@H+](CC1(CNC)CCOCC1)[C@@H](C)CC ZINC000052198189 520483444 /nfs/dbraw/zinc/48/34/44/520483444.db2.gz LNJUKQDPFHOFPG-HNNXBMFYSA-N 1 3 270.461 2.903 10 0 CFAEHO CC[N@H+](CCCN1CCCC1)Cc1ccccc1N ZINC000049333176 521013623 /nfs/dbraw/zinc/01/36/23/521013623.db2.gz RQZGNTFLGFKHSE-UHFFFAOYSA-N 1 3 261.413 2.577 10 0 CFAEHO CC[N@@H+](CCCN1CCCC1)Cc1ccccc1N ZINC000049333176 521013630 /nfs/dbraw/zinc/01/36/30/521013630.db2.gz RQZGNTFLGFKHSE-UHFFFAOYSA-N 1 3 261.413 2.577 10 0 CFAEHO CCC[NH+](CCC)CC1(CNCC)CCOCC1 ZINC000052180902 521643303 /nfs/dbraw/zinc/64/33/03/521643303.db2.gz VPUFEIPICQYUQN-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000045663628 521657447 /nfs/dbraw/zinc/65/74/47/521657447.db2.gz FUYKJFUKJWYEPZ-OAHLLOKOSA-N 1 3 283.847 2.613 10 0 CFAEHO CC(C)(C)[NH2+]CC(C)(C)CN1CCC[C@@H]1CCCO ZINC000052763383 518752574 /nfs/dbraw/zinc/75/25/74/518752574.db2.gz WMJOBRUDBIFSFN-CQSZACIVSA-N 1 3 270.461 2.638 10 0 CFAEHO CC(C)C[C@H]1CSC(N[C@@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502361 519416843 /nfs/dbraw/zinc/41/68/43/519416843.db2.gz FQIBQBRLBSLWKF-KBPBESRZSA-N 1 3 283.485 2.968 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCCC[C@@H]2C)CCOCC1 ZINC000052180697 519719634 /nfs/dbraw/zinc/71/96/34/519719634.db2.gz OOUVUWJREXHRCQ-HNNXBMFYSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)C[NH2+]CC1(CN(C)[C@H](C)C2CC2)CCOCC1 ZINC000052181795 519742758 /nfs/dbraw/zinc/74/27/58/519742758.db2.gz ROERVGUFLZMPPW-OAHLLOKOSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)C[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443270 519747190 /nfs/dbraw/zinc/74/71/90/519747190.db2.gz XGCXMWUGBCEKLL-UHFFFAOYSA-N 1 3 278.465 2.981 10 0 CFAEHO CCCN1CCN([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421980 519859425 /nfs/dbraw/zinc/85/94/25/519859425.db2.gz MSQJQRHJEHRBBN-OAHLLOKOSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+]CC1(CN2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180549 519911070 /nfs/dbraw/zinc/91/10/70/519911070.db2.gz MDLFJQOOJTYAFW-IYBDPMFKSA-N 1 3 282.472 2.761 10 0 CFAEHO CCCNCC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180549 519911076 /nfs/dbraw/zinc/91/10/76/519911076.db2.gz MDLFJQOOJTYAFW-IYBDPMFKSA-N 1 3 282.472 2.761 10 0 CFAEHO CCCNCC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180549 519911077 /nfs/dbraw/zinc/91/10/77/519911077.db2.gz MDLFJQOOJTYAFW-IYBDPMFKSA-N 1 3 282.472 2.761 10 0 CFAEHO CC[NH2+]CCC[C@H](C)N1CCc2sccc2C1 ZINC000052416563 519919892 /nfs/dbraw/zinc/91/98/92/519919892.db2.gz CMCCRQKACGELSJ-LBPRGKRZSA-N 1 3 252.427 2.884 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccs2)O1 ZINC000052456361 519936739 /nfs/dbraw/zinc/93/67/39/519936739.db2.gz VMVRHRJXKFPDNX-KGLIPLIRSA-N 1 3 282.453 2.727 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](CC)C1CC1 ZINC000052452001 520009174 /nfs/dbraw/zinc/00/91/74/520009174.db2.gz MCFIFMSTTHFJDH-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](CC)C1CC1 ZINC000052452001 520009180 /nfs/dbraw/zinc/00/91/80/520009180.db2.gz MCFIFMSTTHFJDH-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO CCCNc1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000050815618 520154777 /nfs/dbraw/zinc/15/47/77/520154777.db2.gz CFLHHCDXKUMDCJ-UHFFFAOYSA-N 1 3 290.455 2.677 10 0 CFAEHO CCCCN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180920 520396726 /nfs/dbraw/zinc/39/67/26/520396726.db2.gz GDPXTCWRFRPANO-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCC[C@H](OCC)C1 ZINC000069380385 521121486 /nfs/dbraw/zinc/12/14/86/521121486.db2.gz WVXNTRNZFSXJHR-GJZGRUSLSA-N 1 3 256.434 2.785 10 0 CFAEHO CCC(CC)[N@H+](CCOC)Cc1ccc(CNC)o1 ZINC000052573329 521560116 /nfs/dbraw/zinc/56/01/16/521560116.db2.gz XBXPSQDDYALGIK-UHFFFAOYSA-N 1 3 268.401 2.636 10 0 CFAEHO CCC(CC)[N@@H+](CCOC)Cc1ccc(CNC)o1 ZINC000052573329 521560121 /nfs/dbraw/zinc/56/01/21/521560121.db2.gz XBXPSQDDYALGIK-UHFFFAOYSA-N 1 3 268.401 2.636 10 0 CFAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)s1 ZINC000234740753 522288864 /nfs/dbraw/zinc/28/88/64/522288864.db2.gz OKIDDVAZIPMYDC-VHSXEESVSA-N 1 3 276.833 2.806 10 0 CFAEHO COCCN([C@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545478 523781416 /nfs/dbraw/zinc/78/14/16/523781416.db2.gz RZHVWBZSHIRODO-KGLIPLIRSA-N 1 3 270.461 2.900 10 0 CFAEHO CN1CCCC[C@@H]1CC[NH2+]CCc1ccsc1 ZINC000052205943 523792947 /nfs/dbraw/zinc/79/29/47/523792947.db2.gz HALVWOFUDWRWBM-CQSZACIVSA-N 1 3 252.427 2.755 10 0 CFAEHO C[N@@H+]1CCCC[C@@H]1CCNCCc1ccsc1 ZINC000052205943 523792950 /nfs/dbraw/zinc/79/29/50/523792950.db2.gz HALVWOFUDWRWBM-CQSZACIVSA-N 1 3 252.427 2.755 10 0 CFAEHO C[N@H+]1CCCC[C@@H]1CCNCCc1ccsc1 ZINC000052205943 523792955 /nfs/dbraw/zinc/79/29/55/523792955.db2.gz HALVWOFUDWRWBM-CQSZACIVSA-N 1 3 252.427 2.755 10 0 CFAEHO C[C@H](CC[NH+](C)C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000049559255 524162730 /nfs/dbraw/zinc/16/27/30/524162730.db2.gz QGPFEUFEPSERRJ-OCCSQVGLSA-N 1 3 277.437 2.760 10 0 CFAEHO C[C@H](C[NH2+]CCCc1ccccc1)CN1CCCC1 ZINC000057994288 524484961 /nfs/dbraw/zinc/48/49/61/524484961.db2.gz DAYCCGXXYVVDQZ-MRXNPFEDSA-N 1 3 260.425 2.941 10 0 CFAEHO C[C@H](C[NH2+][C@@H](C)Cc1ccco1)CN1CCCCC1 ZINC000062771899 524495148 /nfs/dbraw/zinc/49/51/48/524495148.db2.gz LUNVXDXYBAVXIL-CABCVRRESA-N 1 3 264.413 2.922 10 0 CFAEHO C[C@H](CN[C@@H](C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000062771899 524495158 /nfs/dbraw/zinc/49/51/58/524495158.db2.gz LUNVXDXYBAVXIL-CABCVRRESA-N 1 3 264.413 2.922 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(CCc2ccc(F)cc2)C1 ZINC000049664081 525096041 /nfs/dbraw/zinc/09/60/41/525096041.db2.gz VBNZYJGCNFXFGX-ZIAGYGMSSA-N 1 3 264.388 2.546 10 0 CFAEHO Cc1cc([C@H](C[NH3+])N2CCN(C(C)(C)C)CC2)ccc1F ZINC000050546294 525535693 /nfs/dbraw/zinc/53/56/93/525535693.db2.gz UEEGFIPGUYFRRU-INIZCTEOSA-N 1 3 293.430 2.550 10 0 CFAEHO C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000052061193 526021444 /nfs/dbraw/zinc/02/14/44/526021444.db2.gz FMFYBKBIESNTGQ-CRAIPNDOSA-N 1 3 287.451 2.635 10 0 CFAEHO C[C@H]1CCCCN1CCC[NH2+]CCCOCC(F)(F)F ZINC000049312202 526249194 /nfs/dbraw/zinc/24/91/94/526249194.db2.gz UPQVTGOPKYACBP-ZDUSSCGKSA-N 1 3 296.377 2.810 10 0 CFAEHO [NH3+][C@@H]1CCC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC000228545374 527360366 /nfs/dbraw/zinc/36/03/66/527360366.db2.gz SATOSPYVFLSBET-SBBZOJNGSA-N 1 3 256.393 2.759 10 0 CFAEHO CCCN1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845972 179354411 /nfs/dbraw/zinc/35/44/11/179354411.db2.gz GMMIMQQRBWVJFP-CABCVRRESA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@@H+]1CCC[C@@H](N[C@@H](COC)C(C)C)CC1 ZINC000086845972 179354412 /nfs/dbraw/zinc/35/44/12/179354412.db2.gz GMMIMQQRBWVJFP-CABCVRRESA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@H+]1CCC[C@@H](N[C@@H](COC)C(C)C)CC1 ZINC000086845972 179354413 /nfs/dbraw/zinc/35/44/13/179354413.db2.gz GMMIMQQRBWVJFP-CABCVRRESA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@@H+]1CCC[C@H](NCCc2nc(C)cs2)CC1 ZINC000086844767 179355031 /nfs/dbraw/zinc/35/50/31/179355031.db2.gz CMSDPJKUXDRURE-AWEZNQCLSA-N 1 3 281.469 2.848 10 0 CFAEHO CCC[N@H+]1CCC[C@H](NCCc2nc(C)cs2)CC1 ZINC000086844767 179355033 /nfs/dbraw/zinc/35/50/33/179355033.db2.gz CMSDPJKUXDRURE-AWEZNQCLSA-N 1 3 281.469 2.848 10 0 CFAEHO CCCN1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844767 179355035 /nfs/dbraw/zinc/35/50/35/179355035.db2.gz CMSDPJKUXDRURE-AWEZNQCLSA-N 1 3 281.469 2.848 10 0 CFAEHO CCN1CCC[C@](CN)([N@H+](CC)C2CCCCC2)CC1 ZINC000086846378 179355121 /nfs/dbraw/zinc/35/51/21/179355121.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@](CN)([N@@H+](CC)C2CCCCC2)CC1 ZINC000086846378 179355123 /nfs/dbraw/zinc/35/51/23/179355123.db2.gz SPNUUOXLQLQPHW-KRWDZBQOSA-N 1 3 281.488 2.844 10 0 CFAEHO CCOC(=O)C[C@]1(N2CCCCC2)CCC[N@H+](CC)CC1 ZINC000086868556 179360376 /nfs/dbraw/zinc/36/03/76/179360376.db2.gz DGAIZCVHKYTSJB-KRWDZBQOSA-N 1 3 296.455 2.670 10 0 CFAEHO CCOC(=O)C[C@]1(N2CCCCC2)CCC[N@@H+](CC)CC1 ZINC000086868556 179360379 /nfs/dbraw/zinc/36/03/79/179360379.db2.gz DGAIZCVHKYTSJB-KRWDZBQOSA-N 1 3 296.455 2.670 10 0 CFAEHO CCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862883 186080358 /nfs/dbraw/zinc/08/03/58/186080358.db2.gz YUHMUWZNRNHXTI-SFHVURJKSA-N 1 3 290.451 2.774 10 0 CFAEHO CCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862883 186080360 /nfs/dbraw/zinc/08/03/60/186080360.db2.gz YUHMUWZNRNHXTI-SFHVURJKSA-N 1 3 290.451 2.774 10 0 CFAEHO [NH3+]C[C@]12CCC[C@H]1CN(c1ccnc3ccccc31)C2 ZINC000380625744 540689431 /nfs/dbraw/zinc/68/94/31/540689431.db2.gz KBWBXPWVIZYSLV-GUYCJALGSA-N 1 3 267.376 2.800 10 0 CFAEHO Oc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000036852359 372602195 /nfs/dbraw/zinc/60/21/95/372602195.db2.gz DLIACFHXZUOYSG-MRXNPFEDSA-N 1 3 274.408 2.845 10 0 CFAEHO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133927841 377968080 /nfs/dbraw/zinc/96/80/80/377968080.db2.gz OFMLEPYMCWMSOG-YOEHRIQHSA-N 1 3 287.451 2.715 10 0 CFAEHO C[C@H](NCC(C)(C)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000400428158 380858663 /nfs/dbraw/zinc/85/86/63/380858663.db2.gz ZHBANLJEOHZUDX-RYUDHWBXSA-N 1 3 252.427 2.613 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CC2CCC1CC2 ZINC000382070310 382527796 /nfs/dbraw/zinc/52/77/96/382527796.db2.gz GZVHYEDOEUCFIQ-PHXIIHMKSA-N 1 3 250.430 2.790 10 0 CFAEHO C[C@H](C[NH2+][C@@H]1CCCNCC1)COCc1ccccc1 ZINC000389946886 382617343 /nfs/dbraw/zinc/61/73/43/382617343.db2.gz QOBCRBNGYJIVEX-NVXWUHKLSA-N 1 3 276.424 2.571 10 0 CFAEHO CCOc1ccc(Br)cc1[C@H](N)CCC[NH3+] ZINC000575439660 382771440 /nfs/dbraw/zinc/77/14/40/382771440.db2.gz UAIUORHZQBAJBD-LLVKDONJSA-N 1 3 287.201 2.587 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4ccccc4o3)C[C@H]12 ZINC000261587138 383520728 /nfs/dbraw/zinc/52/07/28/383520728.db2.gz JGQBVUVZNKZMQW-VHDGCEQUSA-N 1 3 256.349 2.602 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]12 ZINC000261593666 383524323 /nfs/dbraw/zinc/52/43/23/383524323.db2.gz NAQQZLDJXYDLHP-BFHYXJOUSA-N 1 3 266.335 2.793 10 0 CFAEHO Cc1cc(C)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261612410 383528393 /nfs/dbraw/zinc/52/83/93/383528393.db2.gz SPNHRUBWWPWLQC-XIRDDKMYSA-N 1 3 258.409 2.781 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c4cccnc34)C[C@@H]12 ZINC000261698508 383544166 /nfs/dbraw/zinc/54/41/66/383544166.db2.gz NXNDCWJPJZLIFQ-DJSGYFEHSA-N 1 3 285.366 2.543 10 0 CFAEHO Cc1ccccc1C[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261787712 383561255 /nfs/dbraw/zinc/56/12/55/383561255.db2.gz OGADVPBCHLDRCK-HZPDHXFCSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000261787712 383561258 /nfs/dbraw/zinc/56/12/58/383561258.db2.gz OGADVPBCHLDRCK-HZPDHXFCSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000261787712 383561261 /nfs/dbraw/zinc/56/12/61/383561261.db2.gz OGADVPBCHLDRCK-HZPDHXFCSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261787716 383561913 /nfs/dbraw/zinc/56/19/13/383561913.db2.gz OGADVPBCHLDRCK-JKSUJKDBSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000261787716 383561916 /nfs/dbraw/zinc/56/19/16/383561916.db2.gz OGADVPBCHLDRCK-JKSUJKDBSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000261787716 383561921 /nfs/dbraw/zinc/56/19/21/383561921.db2.gz OGADVPBCHLDRCK-JKSUJKDBSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261807171 383564922 /nfs/dbraw/zinc/56/49/22/383564922.db2.gz RXAKZAGJXXICSM-VBNZEHGJSA-N 1 3 270.376 2.910 10 0 CFAEHO CN1CCN(Cc2ccccc2-c2ccc(C[NH3+])cc2)CC1 ZINC000031993448 393511549 /nfs/dbraw/zinc/51/15/49/393511549.db2.gz JCMISCVUFKFDPP-UHFFFAOYSA-N 1 3 295.430 2.560 10 0 CFAEHO CC[C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645274 393565744 /nfs/dbraw/zinc/56/57/44/393565744.db2.gz XQVDCAQKSKXTHS-UPJWGTAASA-N 1 3 260.372 2.871 10 0 CFAEHO CCC1(CC)CN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261997973 393952495 /nfs/dbraw/zinc/95/24/95/393952495.db2.gz SZQRFIUJVHUSIO-ZDUSSCGKSA-N 1 3 256.459 2.594 10 0 CFAEHO CCC1(CC)C[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000261997973 393952500 /nfs/dbraw/zinc/95/25/00/393952500.db2.gz SZQRFIUJVHUSIO-ZDUSSCGKSA-N 1 3 256.459 2.594 10 0 CFAEHO CCC1(CC)C[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000261997973 393952503 /nfs/dbraw/zinc/95/25/03/393952503.db2.gz SZQRFIUJVHUSIO-ZDUSSCGKSA-N 1 3 256.459 2.594 10 0 CFAEHO C[NH2+][C@@H](C)Cc1ccc(OCCN2CCCCC2)cc1 ZINC000006850841 170249122 /nfs/dbraw/zinc/24/91/22/170249122.db2.gz OOXCCSGQAGHINY-HNNXBMFYSA-N 1 3 276.424 2.702 10 0 CFAEHO C[C@@H]1CCC[N@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000022154070 171361220 /nfs/dbraw/zinc/36/12/20/171361220.db2.gz WCZSUGKZDIMBHJ-CQSZACIVSA-N 1 3 289.423 2.596 10 0 CFAEHO C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2cccc(CN)c2)C1 ZINC000022154070 171361222 /nfs/dbraw/zinc/36/12/22/171361222.db2.gz WCZSUGKZDIMBHJ-CQSZACIVSA-N 1 3 289.423 2.596 10 0 CFAEHO CCCN1CCN([C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022563288 171391451 /nfs/dbraw/zinc/39/14/51/171391451.db2.gz VDRJNYKIIWLHBB-ROUUACIJSA-N 1 3 289.467 2.739 10 0 CFAEHO CC[C@@H](C)CN(C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037173358 173007729 /nfs/dbraw/zinc/00/77/29/173007729.db2.gz YQTDDAIXZXTXPG-SNVBAGLBSA-N 1 3 251.349 2.588 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096064 174110356 /nfs/dbraw/zinc/11/03/56/174110356.db2.gz SUMRFZLHMVMBGG-OAGGEKHMSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[NH+](CC)CCOc1ccc(F)cc1[C@@H](C)N ZINC000040240015 174212670 /nfs/dbraw/zinc/21/26/70/174212670.db2.gz PJMVPUVXYAESDU-LLVKDONJSA-N 1 3 254.349 2.566 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000040506733 174302300 /nfs/dbraw/zinc/30/23/00/174302300.db2.gz XFHFYTIWQRAUKB-JKSUJKDBSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000040506733 174302302 /nfs/dbraw/zinc/30/23/02/174302302.db2.gz XFHFYTIWQRAUKB-JKSUJKDBSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCCN(CCC)C1 ZINC000040506733 174302303 /nfs/dbraw/zinc/30/23/03/174302303.db2.gz XFHFYTIWQRAUKB-JKSUJKDBSA-N 1 3 270.461 2.903 10 0 CFAEHO CCOC1CCN(Cc2cc([C@H](C)[NH3+])ccc2OC)CC1 ZINC000040689375 174376319 /nfs/dbraw/zinc/37/63/19/174376319.db2.gz VFUNUWAAIYQHCQ-ZDUSSCGKSA-N 1 3 292.423 2.716 10 0 CFAEHO C[C@@H](N)[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335501 175011348 /nfs/dbraw/zinc/01/13/48/175011348.db2.gz FVBRCOWVKDNKIC-PBHICJAKSA-N 1 3 291.439 2.618 10 0 CFAEHO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CCN(C)C)CC(C)C ZINC000043336306 175012238 /nfs/dbraw/zinc/01/22/38/175012238.db2.gz GHEHEEOLPFDNTI-GDBMZVCRSA-N 1 3 281.444 2.578 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCN(C)C)CC(C)C ZINC000043365384 175026891 /nfs/dbraw/zinc/02/68/91/175026891.db2.gz AWBACATXOPGWDC-DOTOQJQBSA-N 1 3 295.471 2.886 10 0 CFAEHO CCCC[C@@H](CC)CN1CCN([C@H](CC)CC[NH3+])CC1 ZINC000043454552 175050067 /nfs/dbraw/zinc/05/00/67/175050067.db2.gz DJIBFAZJDHSEGB-IAGOWNOFSA-N 1 3 283.504 2.948 10 0 CFAEHO CC[NH+](CC)CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000043460062 175051008 /nfs/dbraw/zinc/05/10/08/175051008.db2.gz AHOHMIXGHUECSC-HNNXBMFYSA-N 1 3 292.423 2.968 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]CC)c2ccc(C)cc2)CC1 ZINC000043805453 175107885 /nfs/dbraw/zinc/10/78/85/175107885.db2.gz NFNGPHHCWABRQK-SFHVURJKSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815331 175112483 /nfs/dbraw/zinc/11/24/83/175112483.db2.gz LPIXRZFDVABVIK-IRXDYDNUSA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818372 175113061 /nfs/dbraw/zinc/11/30/61/175113061.db2.gz XCMIHVCKHICYED-IKGGRYGDSA-N 1 3 295.515 2.817 10 0 CFAEHO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818366 175113180 /nfs/dbraw/zinc/11/31/80/175113180.db2.gz XCMIHVCKHICYED-BBWFWOEESA-N 1 3 295.515 2.817 10 0 CFAEHO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCN(C(C)C)CC1 ZINC000043897003 175119753 /nfs/dbraw/zinc/11/97/53/175119753.db2.gz KQJBPDDCSCIXEZ-MSOLQXFVSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@H](CN1CCN(C(C)C)CC1)c1ccc(C)c(C)c1 ZINC000043896984 175119808 /nfs/dbraw/zinc/11/98/08/175119808.db2.gz QYXJWUTVFMIHJJ-GOSISDBHSA-N 1 3 289.467 2.590 10 0 CFAEHO CCC[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)C(C)(C)C ZINC000043965675 175127093 /nfs/dbraw/zinc/12/70/93/175127093.db2.gz SZAOMWSOGBNEMB-HNNXBMFYSA-N 1 3 283.504 2.817 10 0 CFAEHO CCC[NH2+][C@@H](CN(CCN(C)C)CC(C)C)C(C)(C)C ZINC000043982333 175134376 /nfs/dbraw/zinc/13/43/76/175134376.db2.gz YWYONOIZKNGMKR-INIZCTEOSA-N 1 3 285.520 2.920 10 0 CFAEHO CC[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000044133027 175145309 /nfs/dbraw/zinc/14/53/09/175145309.db2.gz PYVHIOUBRDROGJ-IRXDYDNUSA-N 1 3 276.424 2.525 10 0 CFAEHO CCC[C@H](O)[C@@H](CC)[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162325 175147219 /nfs/dbraw/zinc/14/72/19/175147219.db2.gz CSSGIBPDVUSMMW-SJORKVTESA-N 1 3 282.472 2.876 10 0 CFAEHO Cc1ccc([C@H](O)CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000044169869 175148366 /nfs/dbraw/zinc/14/83/66/175148366.db2.gz XFBZEHKYXCEZGT-GOSISDBHSA-N 1 3 290.451 2.610 10 0 CFAEHO CCCN1CCN([C@@H](c2ccc(C)cc2)[C@@H]([NH3+])CC)CC1 ZINC000044418388 175173363 /nfs/dbraw/zinc/17/33/63/175173363.db2.gz PQKMBBKJIXXVBP-ROUUACIJSA-N 1 3 289.467 2.801 10 0 CFAEHO C[NH2+][C@H]1CCN([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000044482750 175180050 /nfs/dbraw/zinc/18/00/50/175180050.db2.gz NULMDFMWNHPHBQ-ZOBUZTSGSA-N 1 3 260.425 2.938 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660211 175226250 /nfs/dbraw/zinc/22/62/50/175226250.db2.gz ZNPKNFXVQUADKA-MUIFIZLQSA-N 1 3 258.409 2.720 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@@H](C)[NH+]1CCCCC1 ZINC000045005560 175288238 /nfs/dbraw/zinc/28/82/38/175288238.db2.gz SRKUNFJBROOBKY-CYBMUJFWSA-N 1 3 272.396 2.801 10 0 CFAEHO C[NH2+]C[C@@H]1CCN(Cc2c(C)[nH]c3ccccc32)C1 ZINC000071142460 176039817 /nfs/dbraw/zinc/03/98/17/176039817.db2.gz VOBLQGVWORZWRK-ZDUSSCGKSA-N 1 3 257.381 2.518 10 0 CFAEHO CC[C@@H]1CN(CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401699 176154061 /nfs/dbraw/zinc/15/40/61/176154061.db2.gz ZACSHDZRRXZNSX-CVEARBPZSA-N 1 3 262.397 2.577 10 0 CFAEHO c1ccc2c(c1)nccc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313125713 260251610 /nfs/dbraw/zinc/25/16/10/260251610.db2.gz CUFIEEQPVIKUKB-OKILXGFUSA-N 1 3 267.376 2.671 10 0 CFAEHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000226206367 270256476 /nfs/dbraw/zinc/25/64/76/270256476.db2.gz KPYZPAMZTWRZOS-LSDHHAIUSA-N 1 3 270.461 2.759 10 0 CFAEHO CC1(C)SC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000335063208 276158647 /nfs/dbraw/zinc/15/86/47/276158647.db2.gz QHPJHKXCIJIFHQ-CQSZACIVSA-N 1 3 268.470 2.877 10 0 CFAEHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629051 278332293 /nfs/dbraw/zinc/33/22/93/278332293.db2.gz BLUAHGBTPQBFFY-JONQDZQNSA-N 1 3 280.456 2.654 10 0 CFAEHO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000094342599 280567553 /nfs/dbraw/zinc/56/75/53/280567553.db2.gz IFMZULRXTQFBBV-BXUZGUMPSA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H]1CCCCO1 ZINC000262023947 290031569 /nfs/dbraw/zinc/03/15/69/290031569.db2.gz YWTFGHZLDFZACL-DANNLKNASA-N 1 3 260.381 2.678 10 0 CFAEHO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4ccccc43)C[C@H]21 ZINC000228551671 295309757 /nfs/dbraw/zinc/30/97/57/295309757.db2.gz RTVNQMDDFIHPIN-BPLDGKMQSA-N 1 3 267.376 2.798 10 0 CFAEHO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000216179519 301343284 /nfs/dbraw/zinc/34/32/84/301343284.db2.gz IVNRXCJFBPVMKH-QWHCGFSZSA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000580999303 325081545 /nfs/dbraw/zinc/08/15/45/325081545.db2.gz NRMRPMVGIPGNKQ-GHMZBOCLSA-N 1 3 272.845 2.922 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052503425 519716725 /nfs/dbraw/zinc/71/67/25/519716725.db2.gz KFPLYHOWVAHNLZ-HNNXBMFYSA-N 1 3 271.493 2.673 10 0 CFAEHO CC(C)C[NH2+]CCCCN1C[C@H](C)OC(C)(C)C1 ZINC000052543374 519743292 /nfs/dbraw/zinc/74/32/92/519743292.db2.gz URNSRFUCDZWDJH-AWEZNQCLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@@H](C)CN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181444 521970334 /nfs/dbraw/zinc/97/03/34/521970334.db2.gz CCKTWOFRBBSVFF-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[C@@H](C)C[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181444 521970346 /nfs/dbraw/zinc/97/03/46/521970346.db2.gz CCKTWOFRBBSVFF-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[C@@H](C)C[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181444 521970353 /nfs/dbraw/zinc/97/03/53/521970353.db2.gz CCKTWOFRBBSVFF-OAHLLOKOSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)(C)[NH2+]CCCCN1CCN(C(C)(C)C)CC1 ZINC000052571566 518754652 /nfs/dbraw/zinc/75/46/52/518754652.db2.gz FDOWLNLEWFTAMJ-UHFFFAOYSA-N 1 3 269.477 2.571 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538414 519342352 /nfs/dbraw/zinc/34/23/52/519342352.db2.gz PZGSJUCOYVKGPE-XYPHTWIQSA-N 1 3 275.440 2.697 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383819 519342612 /nfs/dbraw/zinc/34/26/12/519342612.db2.gz PZGSJUCOYVKGPE-COXVUDFISA-N 1 3 275.440 2.697 10 0 CFAEHO CC(C)CN(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181368 519708832 /nfs/dbraw/zinc/70/88/32/519708832.db2.gz AZWYHWSTJRHYQJ-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052503426 519716647 /nfs/dbraw/zinc/71/66/47/519716647.db2.gz KFPLYHOWVAHNLZ-OAHLLOKOSA-N 1 3 271.493 2.673 10 0 CFAEHO CC(C)[NH2+]CC1(CN2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180555 519720071 /nfs/dbraw/zinc/72/00/71/519720071.db2.gz PBLPBAUKZRFJPW-IYBDPMFKSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)NCC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180555 519720072 /nfs/dbraw/zinc/72/00/72/519720072.db2.gz PBLPBAUKZRFJPW-IYBDPMFKSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)NCC1(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180555 519720075 /nfs/dbraw/zinc/72/00/75/519720075.db2.gz PBLPBAUKZRFJPW-IYBDPMFKSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)C[NH2+]Cc1ccccc1COCCN(C)C ZINC000052669974 519747640 /nfs/dbraw/zinc/74/76/40/519747640.db2.gz AXHYMHNOOALZAC-UHFFFAOYSA-N 1 3 264.413 2.510 10 0 CFAEHO CCC[NH2+]CC1(CN2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000052198223 519910791 /nfs/dbraw/zinc/91/07/91/519910791.db2.gz ZRCPGGMXISFTSS-CVEARBPZSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183470 519913140 /nfs/dbraw/zinc/91/31/40/519913140.db2.gz YCIXYULKRPMSMI-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183470 519913142 /nfs/dbraw/zinc/91/31/42/519913142.db2.gz YCIXYULKRPMSMI-HOTGVXAUSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[NH2+]CCCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416956 519919157 /nfs/dbraw/zinc/91/91/57/519919157.db2.gz OHYOYNJAFAKCMJ-GOSISDBHSA-N 1 3 289.467 2.755 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346396 519952963 /nfs/dbraw/zinc/95/29/63/519952963.db2.gz OYPKWQPALMRYFS-JKSUJKDBSA-N 1 3 296.842 2.929 10 0 CFAEHO CC[NH2+]Cc1cc(CN2CCC[C@@H](C)C2)oc1C ZINC000052381243 519986674 /nfs/dbraw/zinc/98/66/74/519986674.db2.gz ZPPWJJKYCTYBGI-GFCCVEGCSA-N 1 3 250.386 2.929 10 0 CFAEHO CCCCC[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075264 520224314 /nfs/dbraw/zinc/22/43/14/520224314.db2.gz XPAIYLXMVOXIHI-HOTGVXAUSA-N 1 3 269.477 2.571 10 0 CFAEHO CCN(CC1CC1)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262801 520958365 /nfs/dbraw/zinc/95/83/65/520958365.db2.gz RVGOINWQCGNMKZ-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@]1(CNC(C)C)CCCOC1 ZINC000069262801 520958369 /nfs/dbraw/zinc/95/83/69/520958369.db2.gz RVGOINWQCGNMKZ-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@]1(CNC(C)C)CCCOC1 ZINC000069262801 520958378 /nfs/dbraw/zinc/95/83/78/520958378.db2.gz RVGOINWQCGNMKZ-MRXNPFEDSA-N 1 3 268.445 2.513 10 0 CFAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000069262804 520958632 /nfs/dbraw/zinc/95/86/32/520958632.db2.gz RVGOINWQCGNMKZ-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@H+](CC1CC1)C[C@@]1(CNC(C)C)CCCOC1 ZINC000069262804 520958635 /nfs/dbraw/zinc/95/86/35/520958635.db2.gz RVGOINWQCGNMKZ-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@@H+](CC1CC1)C[C@@]1(CNC(C)C)CCCOC1 ZINC000069262804 520958643 /nfs/dbraw/zinc/95/86/43/520958643.db2.gz RVGOINWQCGNMKZ-INIZCTEOSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCC[C@](CC)(CN)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000069381090 521256417 /nfs/dbraw/zinc/25/64/17/521256417.db2.gz SDEHQTZPIDYUQO-DLBZAZTESA-N 1 3 281.488 2.844 10 0 CFAEHO CCCC[C@](CC)(CN)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000069381090 521256428 /nfs/dbraw/zinc/25/64/28/521256428.db2.gz SDEHQTZPIDYUQO-DLBZAZTESA-N 1 3 281.488 2.844 10 0 CFAEHO CNCc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000052373469 522107813 /nfs/dbraw/zinc/10/78/13/522107813.db2.gz CINYDHBTQAHOHC-NEPJUHHUSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000052373469 522107820 /nfs/dbraw/zinc/10/78/20/522107820.db2.gz CINYDHBTQAHOHC-NEPJUHHUSA-N 1 3 250.386 2.928 10 0 CFAEHO CC[C@H](C)N(C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181196 523914771 /nfs/dbraw/zinc/91/47/71/523914771.db2.gz KKARTDWPUGKZGX-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO Cc1ccc(C[N@@H+](C)[C@@]2(CN)CCCSC2)cc1 ZINC000061589970 524401582 /nfs/dbraw/zinc/40/15/82/524401582.db2.gz CDDPKJJEMYRWFQ-OAHLLOKOSA-N 1 3 264.438 2.651 10 0 CFAEHO Cc1ccc(C[N@H+](C)[C@@]2(CN)CCCSC2)cc1 ZINC000061589970 524401590 /nfs/dbraw/zinc/40/15/90/524401590.db2.gz CDDPKJJEMYRWFQ-OAHLLOKOSA-N 1 3 264.438 2.651 10 0 CFAEHO C[C@H]1C[C@H]([NH3+])CCN1[C@@H]1CCCc2sccc21 ZINC000061363759 524901973 /nfs/dbraw/zinc/90/19/73/524901973.db2.gz DNBQVSOZIQPMKP-DMDPSCGWSA-N 1 3 250.411 2.937 10 0 CFAEHO C[C@@H](N)c1ccc(F)cc1OCCC[NH+]1CCCC1 ZINC000062745105 525025880 /nfs/dbraw/zinc/02/58/80/525025880.db2.gz UZCLSZPVFMKLOR-GFCCVEGCSA-N 1 3 266.360 2.710 10 0 CFAEHO C[C@H](NC1CCC([NH3+])CC1)c1ccc(Br)cn1 ZINC000335023240 525290813 /nfs/dbraw/zinc/29/08/13/525290813.db2.gz PZHBIIMRTXQUPB-GCVQQVDUSA-N 1 3 298.228 2.765 10 0 CFAEHO C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000050565061 525642840 /nfs/dbraw/zinc/64/28/40/525642840.db2.gz OGXPODCQSWTYHK-WDEREUQCSA-N 1 3 263.360 2.730 10 0 CFAEHO NCCC[N@H+](CCOCC(F)(F)F)C1CCCCC1 ZINC000049310709 527178265 /nfs/dbraw/zinc/17/82/65/527178265.db2.gz ZVCJHKOVAUMFJE-UHFFFAOYSA-N 1 3 282.350 2.549 10 0 CFAEHO NCCC[N@@H+](CCOCC(F)(F)F)C1CCCCC1 ZINC000049310709 527178269 /nfs/dbraw/zinc/17/82/69/527178269.db2.gz ZVCJHKOVAUMFJE-UHFFFAOYSA-N 1 3 282.350 2.549 10 0 CFAEHO NCCC[N@H+](CCOCC(F)(F)F)C1CCCCCC1 ZINC000049310710 527179018 /nfs/dbraw/zinc/17/90/18/527179018.db2.gz MLHMVUYIXKLCME-UHFFFAOYSA-N 1 3 296.377 2.939 10 0 CFAEHO NCCC[N@@H+](CCOCC(F)(F)F)C1CCCCCC1 ZINC000049310710 527179020 /nfs/dbraw/zinc/17/90/20/527179020.db2.gz MLHMVUYIXKLCME-UHFFFAOYSA-N 1 3 296.377 2.939 10 0 CFAEHO [NH3+]Cc1ccccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702144 527260720 /nfs/dbraw/zinc/26/07/20/527260720.db2.gz IYCFPXBXEIKJTR-KRWDZBQOSA-N 1 3 282.387 2.799 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963359 647141822 /nfs/dbraw/zinc/14/18/22/647141822.db2.gz YIEUUPZFUBZRPT-USXIJHARSA-N 1 3 256.393 2.649 10 0 CFAEHO CC(C)[NH2+]Cc1sc(CCN(C)C)nc1C(C)C ZINC000082434482 178011561 /nfs/dbraw/zinc/01/15/61/178011561.db2.gz AOUNUJJLEVXFLA-UHFFFAOYSA-N 1 3 269.458 2.869 10 0 CFAEHO CCC(=O)Nc1cccc(C2CCN(CCC[NH3+])CC2)c1 ZINC000139729487 347922457 /nfs/dbraw/zinc/92/24/57/347922457.db2.gz FHXSNCUMVUXYNW-UHFFFAOYSA-N 1 3 289.423 2.563 10 0 CFAEHO CCN1CCC[C@@](CN)([N@H+](CC)C2CCCCC2)CC1 ZINC000086846375 179355792 /nfs/dbraw/zinc/35/57/92/179355792.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@@](CN)([N@@H+](CC)C2CCCCC2)CC1 ZINC000086846375 179355793 /nfs/dbraw/zinc/35/57/93/179355793.db2.gz SPNUUOXLQLQPHW-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@](CN)([N@H+](C)CC2CCCCC2)CC1 ZINC000086847916 179355970 /nfs/dbraw/zinc/35/59/70/179355970.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 1 3 281.488 2.702 10 0 CFAEHO CCN1CCC[C@](CN)([N@@H+](C)CC2CCCCC2)CC1 ZINC000086847916 179355973 /nfs/dbraw/zinc/35/59/73/179355973.db2.gz XZYGXHRMJBUDSS-KRWDZBQOSA-N 1 3 281.488 2.702 10 0 CFAEHO CCC[N@H+](CC1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086847862 179356452 /nfs/dbraw/zinc/35/64/52/179356452.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 1 3 281.488 2.700 10 0 CFAEHO CCC[N@@H+](CC1CC1)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086847862 179356454 /nfs/dbraw/zinc/35/64/54/179356454.db2.gz CTWHMSZTCSGIBB-KRWDZBQOSA-N 1 3 281.488 2.700 10 0 CFAEHO CCN1CCC[C@@](CN)([N@@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357781 /nfs/dbraw/zinc/35/77/81/179357781.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 1 3 295.515 2.948 10 0 CFAEHO CCN1CCC[C@@](CN)([N@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC000086848947 179357783 /nfs/dbraw/zinc/35/77/83/179357783.db2.gz HNFSQRUPFYFVCS-ZWKOTPCHSA-N 1 3 295.515 2.948 10 0 CFAEHO CCOC(=O)C[C@]1(N2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086868519 179360539 /nfs/dbraw/zinc/36/05/39/179360539.db2.gz GSTILGKRIJYYQD-KRWDZBQOSA-N 1 3 296.455 2.669 10 0 CFAEHO CCOC(=O)C[C@]1(N2CCCC2)CCC[N@H+](C(C)C)CC1 ZINC000086868519 179360540 /nfs/dbraw/zinc/36/05/40/179360540.db2.gz GSTILGKRIJYYQD-KRWDZBQOSA-N 1 3 296.455 2.669 10 0 CFAEHO CCNCc1c(Cl)cccc1N(C)CCC[NH+](C)C ZINC000104189964 185922428 /nfs/dbraw/zinc/92/24/28/185922428.db2.gz NXOMKKQYDGABSD-UHFFFAOYSA-N 1 3 283.847 2.837 10 0 CFAEHO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000630565884 355113838 /nfs/dbraw/zinc/11/38/38/355113838.db2.gz BENSMXCJXUZDQN-WCQYABFASA-N 1 3 255.365 2.574 10 0 CFAEHO Cc1ccc2nccc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738640 374376942 /nfs/dbraw/zinc/37/69/42/374376942.db2.gz LYBHTWNQSOIAPS-CYBMUJFWSA-N 1 3 255.365 2.955 10 0 CFAEHO N[C@@H](CCCC[NH3+])c1c(F)ccc(Br)c1F ZINC000575440497 382771713 /nfs/dbraw/zinc/77/17/13/382771713.db2.gz ZMZUEHZZKLZZTN-VIFPVBQESA-N 1 3 293.155 2.856 10 0 CFAEHO C[C@@H]1CC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423097662 383042936 /nfs/dbraw/zinc/04/29/36/383042936.db2.gz JOVJYQFAHWNSQU-YLGOIMDESA-N 1 3 274.408 2.924 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261568333 383515009 /nfs/dbraw/zinc/51/50/09/383515009.db2.gz KBKTVBFHYCIDNB-HIFRSBDPSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261568333 383515017 /nfs/dbraw/zinc/51/50/17/383515017.db2.gz KBKTVBFHYCIDNB-HIFRSBDPSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261568333 383515022 /nfs/dbraw/zinc/51/50/22/383515022.db2.gz KBKTVBFHYCIDNB-HIFRSBDPSA-N 1 3 264.388 2.688 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]12 ZINC000261588739 383522914 /nfs/dbraw/zinc/52/29/14/383522914.db2.gz KIKOSWKDRVPLMF-IXDOHACOSA-N 1 3 256.393 2.733 10 0 CFAEHO Cc1ccc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596571 383525317 /nfs/dbraw/zinc/52/53/17/383525317.db2.gz AHXZXNSLRMDYCD-GVDBMIGSSA-N 1 3 281.403 2.712 10 0 CFAEHO CC(C)OC1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000643475839 384655304 /nfs/dbraw/zinc/65/53/04/384655304.db2.gz PUQLKDXXXMECMY-WXLSXGNJSA-N 1 3 268.445 2.700 10 0 CFAEHO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000044503180 393565368 /nfs/dbraw/zinc/56/53/68/393565368.db2.gz WHHJZJDRWSNYLE-CYBMUJFWSA-N 1 3 255.365 2.955 10 0 CFAEHO C[C@@H](CCNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263375 393686332 /nfs/dbraw/zinc/68/63/32/393686332.db2.gz ZEUFEDKGNARNQM-WMZOPIPTSA-N 1 3 290.451 2.617 10 0 CFAEHO CC[NH+](CC)CC/N=c1\ccn(O)c2cc(Cl)ccc21 ZINC000005846456 170146771 /nfs/dbraw/zinc/14/67/71/170146771.db2.gz FYMJUWKJUJMPRB-SAPNQHFASA-N 1 3 293.798 2.775 10 0 CFAEHO CC1CC[NH+](Cc2c3ccccc3n(C)c2CN)CC1 ZINC000009239732 170368342 /nfs/dbraw/zinc/36/83/42/170368342.db2.gz OFSRTBUBQZDZKN-UHFFFAOYSA-N 1 3 271.408 2.869 10 0 CFAEHO CC1CCN(CCC[NH2+]CCc2ccccc2)CC1 ZINC000020146240 171032815 /nfs/dbraw/zinc/03/28/15/171032815.db2.gz FWGIGOSXBQKYLZ-UHFFFAOYSA-N 1 3 260.425 2.941 10 0 CFAEHO CC1CC[NH+](CCCNCCc2ccccc2)CC1 ZINC000020146240 171032816 /nfs/dbraw/zinc/03/28/16/171032816.db2.gz FWGIGOSXBQKYLZ-UHFFFAOYSA-N 1 3 260.425 2.941 10 0 CFAEHO Cc1cccc(OC[C@H](CC[NH3+])N2CCCCC2)c1 ZINC000020402222 171182309 /nfs/dbraw/zinc/18/23/09/171182309.db2.gz GAPOFSCZVXXSGY-HNNXBMFYSA-N 1 3 262.397 2.577 10 0 CFAEHO C=COCCC[NH2+][C@H](C)[C@@H]1CCCN(CCC)C1 ZINC000037221606 173041556 /nfs/dbraw/zinc/04/15/56/173041556.db2.gz OBOMHMALPHXXTK-HUUCEWRRSA-N 1 3 254.418 2.637 10 0 CFAEHO CC[NH+](CC)CCOc1cccc(F)c1[C@@H](C)N ZINC000040240017 174212850 /nfs/dbraw/zinc/21/28/50/174212850.db2.gz IRJRDLGBEZZENC-LLVKDONJSA-N 1 3 254.349 2.566 10 0 CFAEHO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCN(C)C2)c1 ZINC000040640575 174364523 /nfs/dbraw/zinc/36/45/23/174364523.db2.gz YROYAOQCOKDRGC-HNNXBMFYSA-N 1 3 262.397 2.515 10 0 CFAEHO N[C@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040693968 174377759 /nfs/dbraw/zinc/37/77/59/174377759.db2.gz WFNCTZTUXXMJRZ-GOSISDBHSA-N 1 3 287.451 2.637 10 0 CFAEHO NC[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693787 174377813 /nfs/dbraw/zinc/37/78/13/174377813.db2.gz VXPMJKRGMUQPBU-SFHVURJKSA-N 1 3 287.451 2.637 10 0 CFAEHO C[C@H](CCc1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749148 174394201 /nfs/dbraw/zinc/39/42/01/174394201.db2.gz WIYFDZSSRPRVRS-OHRKKDJYSA-N 1 3 274.408 2.667 10 0 CFAEHO C[C@H](CCc1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749148 174394202 /nfs/dbraw/zinc/39/42/02/174394202.db2.gz WIYFDZSSRPRVRS-OHRKKDJYSA-N 1 3 274.408 2.667 10 0 CFAEHO CC(C)C[C@H](C)N(C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000042562678 174798468 /nfs/dbraw/zinc/79/84/68/174798468.db2.gz ALBYPZGPWDLQNG-KBPBESRZSA-N 1 3 291.439 2.839 10 0 CFAEHO CC[NH+]1CCC(N(C)C[C@H](N)c2cc(C)ccc2C)CC1 ZINC000042616318 174830377 /nfs/dbraw/zinc/83/03/77/174830377.db2.gz WWCJSFWFEPEUFK-SFHVURJKSA-N 1 3 289.467 2.719 10 0 CFAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390167 175033876 /nfs/dbraw/zinc/03/38/76/175033876.db2.gz MLRXOCGXZXFDBJ-HNNXBMFYSA-N 1 3 299.821 2.507 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN(C)C(C)C)c1 ZINC000043813267 175111097 /nfs/dbraw/zinc/11/10/97/175111097.db2.gz BKSVXOPVGXZUNE-GFCCVEGCSA-N 1 3 250.386 2.816 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815412 175112336 /nfs/dbraw/zinc/11/23/36/175112336.db2.gz QOXMTMQDNDIFKM-IRXDYDNUSA-N 1 3 281.488 2.713 10 0 CFAEHO CC[NH2+][C@H](C)c1ccc(OC)c(CN(C)CC)c1 ZINC000043820717 175114209 /nfs/dbraw/zinc/11/42/09/175114209.db2.gz PVQIQXJCDMYSPP-GFCCVEGCSA-N 1 3 250.386 2.817 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897155 175119811 /nfs/dbraw/zinc/11/98/11/175119811.db2.gz RMGRGMVKVUJHJF-ZACQAIPSSA-N 1 3 281.488 2.569 10 0 CFAEHO C[NH2+][C@@H](CN1CCN(C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000043965440 175126536 /nfs/dbraw/zinc/12/65/36/175126536.db2.gz ALHXKBJORXGBJZ-KRWDZBQOSA-N 1 3 289.467 2.672 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967994 175129030 /nfs/dbraw/zinc/12/90/30/175129030.db2.gz YLIPMSVPPWMKJB-MSOLQXFVSA-N 1 3 293.499 2.715 10 0 CFAEHO CCCN1CCN([C@@H](c2cccc(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418418 175173263 /nfs/dbraw/zinc/17/32/63/175173263.db2.gz RAXDCFINSCKIIH-MSOLQXFVSA-N 1 3 289.467 2.801 10 0 CFAEHO CC[NH+]1CCC(CNCc2c(C)nc3sccn23)CC1 ZINC000044517755 175190779 /nfs/dbraw/zinc/19/07/79/175190779.db2.gz ACXNNRRRKOLWLV-UHFFFAOYSA-N 1 3 292.452 2.526 10 0 CFAEHO Cc1nn(C)c(C)c1[C@@H](C)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045171893 175321027 /nfs/dbraw/zinc/32/10/27/175321027.db2.gz AXMWLUSIDFOXQS-GVZPALNKSA-N 1 3 290.455 2.560 10 0 CFAEHO Cc1nn(C)c(C)c1[C@@H](C)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045171893 175321028 /nfs/dbraw/zinc/32/10/28/175321028.db2.gz AXMWLUSIDFOXQS-GVZPALNKSA-N 1 3 290.455 2.560 10 0 CFAEHO CC[C@H](C)CN(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267651 176100948 /nfs/dbraw/zinc/10/09/48/176100948.db2.gz REWMPSCYVRKYRR-JTQLQIEISA-N 1 3 251.349 2.588 10 0 CFAEHO CCCN(CCC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267556 176100983 /nfs/dbraw/zinc/10/09/83/176100983.db2.gz LMCITDPYAJKTLF-UHFFFAOYSA-N 1 3 251.349 2.732 10 0 CFAEHO Cc1ccc(OCCN(C)C)c(C[NH2+]CC(C)C)c1 ZINC000071407367 176156269 /nfs/dbraw/zinc/15/62/69/176156269.db2.gz CBCFTWUXVCTSCV-UHFFFAOYSA-N 1 3 264.413 2.681 10 0 CFAEHO COc1ccc(CC[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000076519264 177032224 /nfs/dbraw/zinc/03/22/24/177032224.db2.gz FBJRIFDIWHCMFN-MRXNPFEDSA-N 1 3 276.424 2.558 10 0 CFAEHO C[C@H]1CCCN(c2ccnc3ccccc32)[C@@H]1C[NH3+] ZINC000070178436 299853366 /nfs/dbraw/zinc/85/33/66/299853366.db2.gz JOOFFJOPLVZLIW-BLLLJJGKSA-N 1 3 255.365 2.798 10 0 CFAEHO C[C@H]1CN(CCCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247039143 281004761 /nfs/dbraw/zinc/00/47/61/281004761.db2.gz PTRQKFXQHJGDJE-KBPBESRZSA-N 1 3 288.526 2.641 10 0 CFAEHO C[C@H]1CN(CCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247039143 281004762 /nfs/dbraw/zinc/00/47/62/281004762.db2.gz PTRQKFXQHJGDJE-KBPBESRZSA-N 1 3 288.526 2.641 10 0 CFAEHO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCNC1 ZINC000565821668 290327379 /nfs/dbraw/zinc/32/73/79/290327379.db2.gz ZATJZVUXBKJWSG-GXTWGEPZSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](NCCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000565821668 290327381 /nfs/dbraw/zinc/32/73/81/290327381.db2.gz ZATJZVUXBKJWSG-GXTWGEPZSA-N 1 3 266.816 2.860 10 0 CFAEHO CC(C)C[NH2+]CC[C@@H](C)N(CCN(C)C)CC(C)C ZINC000052503427 519744250 /nfs/dbraw/zinc/74/42/50/519744250.db2.gz UCQOZYGZKZKAIT-MRXNPFEDSA-N 1 3 271.493 2.530 10 0 CFAEHO CC(C)C[NH2+]Cc1occc1CN1CC[C@@H](C)C1 ZINC000052484699 519749351 /nfs/dbraw/zinc/74/93/51/519749351.db2.gz VVBMWLMSIYDILH-CYBMUJFWSA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182300 519912618 /nfs/dbraw/zinc/91/26/18/519912618.db2.gz KDKMANXEMHCJND-CQSZACIVSA-N 1 3 270.461 2.759 10 0 CFAEHO CCNCC1(C[N@@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182300 519912619 /nfs/dbraw/zinc/91/26/19/519912619.db2.gz KDKMANXEMHCJND-CQSZACIVSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[NH2+]CC1(CN(C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182300 519912622 /nfs/dbraw/zinc/91/26/22/519912622.db2.gz KDKMANXEMHCJND-CQSZACIVSA-N 1 3 270.461 2.759 10 0 CFAEHO CCC[NH2+]CCCCCN1CCN([C@H](C)CC)CC1 ZINC000055074425 519911563 /nfs/dbraw/zinc/91/15/63/519911563.db2.gz NMPFIFCHRNPNLF-MRXNPFEDSA-N 1 3 269.477 2.572 10 0 CFAEHO CCC[NH2+]C[C@@]1(CN(CC)CC2CC2)CCCOC1 ZINC000069239938 519929851 /nfs/dbraw/zinc/92/98/51/519929851.db2.gz KLPBPRRFPIMEEP-MRXNPFEDSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNC[C@@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069239938 519929858 /nfs/dbraw/zinc/92/98/58/519929858.db2.gz KLPBPRRFPIMEEP-MRXNPFEDSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNC[C@@]1(C[N@@H+](CC)CC2CC2)CCCOC1 ZINC000069239938 519929869 /nfs/dbraw/zinc/92/98/69/519929869.db2.gz KLPBPRRFPIMEEP-MRXNPFEDSA-N 1 3 268.445 2.515 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+]1CCC[C@@H]1C ZINC000052375840 520009400 /nfs/dbraw/zinc/00/94/00/520009400.db2.gz AHCBCYSOSNSMGC-AWEZNQCLSA-N 1 3 262.397 2.659 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+]1CCC[C@@H]1C ZINC000052375840 520009405 /nfs/dbraw/zinc/00/94/05/520009405.db2.gz AHCBCYSOSNSMGC-AWEZNQCLSA-N 1 3 262.397 2.659 10 0 CFAEHO CCCN(CCN(C)C)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000045663607 521658037 /nfs/dbraw/zinc/65/80/37/521658037.db2.gz JDVPDVAPVJASTN-UKRRQHHQSA-N 1 3 283.485 2.718 10 0 CFAEHO CC(C)(C)[NH2+]C[C@]1(CN2CCCCCC2)CCOC1 ZINC000051210433 518762212 /nfs/dbraw/zinc/76/22/12/518762212.db2.gz DUDRQEBNPKWJAN-INIZCTEOSA-N 1 3 268.445 2.657 10 0 CFAEHO CC(C)CN(CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815887 519715398 /nfs/dbraw/zinc/71/53/98/519715398.db2.gz YZUZODINFBCMQA-UHFFFAOYSA-N 1 3 277.412 2.740 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCC[C@@H](C)C2)CCOCC1 ZINC000052180807 519742847 /nfs/dbraw/zinc/74/28/47/519742847.db2.gz VAGZCRPPCHKPMO-MRXNPFEDSA-N 1 3 282.472 2.761 10 0 CFAEHO CCCNCC1(C[N@H+](C)C(CC)CC)CCOCC1 ZINC000052181720 519909984 /nfs/dbraw/zinc/90/99/84/519909984.db2.gz NLSSBFMAKIPALM-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](C)C(CC)CC)CCOCC1 ZINC000052181720 519909987 /nfs/dbraw/zinc/90/99/87/519909987.db2.gz NLSSBFMAKIPALM-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(C)C(CC)CC)CCOCC1 ZINC000052181720 519909990 /nfs/dbraw/zinc/90/99/90/519909990.db2.gz NLSSBFMAKIPALM-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180406 519910804 /nfs/dbraw/zinc/91/08/04/519910804.db2.gz KAXCJOPWAWVULN-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180406 519910807 /nfs/dbraw/zinc/91/08/07/519910807.db2.gz KAXCJOPWAWVULN-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000052419169 519938191 /nfs/dbraw/zinc/93/81/91/519938191.db2.gz KIHUDLWGDSMGJP-QZTJIDSGSA-N 1 3 288.435 2.592 10 0 CFAEHO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346399 519976931 /nfs/dbraw/zinc/97/69/31/519976931.db2.gz OYPKWQPALMRYFS-CVEARBPZSA-N 1 3 296.842 2.929 10 0 CFAEHO CC[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346397 519979311 /nfs/dbraw/zinc/97/93/11/519979311.db2.gz OYPKWQPALMRYFS-HZPDHXFCSA-N 1 3 296.842 2.929 10 0 CFAEHO CCNCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000052420614 519994822 /nfs/dbraw/zinc/99/48/22/519994822.db2.gz LGRMGRCOLKTFNO-STQMWFEESA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)[C@@H]1CCSC1 ZINC000052453328 520009021 /nfs/dbraw/zinc/00/90/21/520009021.db2.gz AVYHWVBJTUHOQL-OAHLLOKOSA-N 1 3 294.464 2.612 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)[C@@H]1CCSC1 ZINC000052453328 520009026 /nfs/dbraw/zinc/00/90/26/520009026.db2.gz AVYHWVBJTUHOQL-OAHLLOKOSA-N 1 3 294.464 2.612 10 0 CFAEHO CCNCc1ccoc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420573 520014107 /nfs/dbraw/zinc/01/41/07/520014107.db2.gz LOGYCMYXFRRXOU-CHWSQXEVSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCCN(CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052182573 520484491 /nfs/dbraw/zinc/48/44/91/520484491.db2.gz YYJBQDNKQBOPAE-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCC[N@H+](CC1(CNCC)CCOCC1)C1CC1 ZINC000052182573 520484500 /nfs/dbraw/zinc/48/45/00/520484500.db2.gz YYJBQDNKQBOPAE-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCC[N@@H+](CC1(CNCC)CCOCC1)C1CC1 ZINC000052182573 520484505 /nfs/dbraw/zinc/48/45/05/520484505.db2.gz YYJBQDNKQBOPAE-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCC(CC)(C[NH2+]C(C)(C)C)CN1CCC[C@H]1CO ZINC000051254919 521440377 /nfs/dbraw/zinc/44/03/77/521440377.db2.gz ORATXHBXJREJFI-AWEZNQCLSA-N 1 3 270.461 2.638 10 0 CFAEHO CNCC1(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183519 521968950 /nfs/dbraw/zinc/96/89/50/521968950.db2.gz TUXPRPCFXKXYEG-LSDHHAIUSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CCOCC1 ZINC000052183519 521968954 /nfs/dbraw/zinc/96/89/54/521968954.db2.gz TUXPRPCFXKXYEG-LSDHHAIUSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182649 521969404 /nfs/dbraw/zinc/96/94/04/521969404.db2.gz OJSJRZPRWRIOLD-HUUCEWRRSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCC1(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000052182649 521969411 /nfs/dbraw/zinc/96/94/11/521969411.db2.gz OJSJRZPRWRIOLD-HUUCEWRRSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCc1cc(C[N@H+](CC(C)C)C2CC2)c(C)o1 ZINC000052515922 522102936 /nfs/dbraw/zinc/10/29/36/522102936.db2.gz BHAFIKNVFQEYEE-UHFFFAOYSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1cc(C[N@@H+](CC(C)C)C2CC2)c(C)o1 ZINC000052515922 522102942 /nfs/dbraw/zinc/10/29/42/522102942.db2.gz BHAFIKNVFQEYEE-UHFFFAOYSA-N 1 3 250.386 2.928 10 0 CFAEHO CNCc1ccccc1OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420692 522140503 /nfs/dbraw/zinc/14/05/03/522140503.db2.gz CGLSRBSTYWJDKF-GJZGRUSLSA-N 1 3 276.424 2.763 10 0 CFAEHO COC1CCN(Cc2occc2C[NH2+]CC(C)C)CC1 ZINC000052455196 522707362 /nfs/dbraw/zinc/70/73/62/522707362.db2.gz FJDMGMONKQANKU-UHFFFAOYSA-N 1 3 280.412 2.636 10 0 CFAEHO CC[C@H]1CCC[N@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052181831 523089547 /nfs/dbraw/zinc/08/95/47/523089547.db2.gz RVFXWDWBLGNTKC-HNNXBMFYSA-N 1 3 280.456 2.657 10 0 CFAEHO CC[C@H]1CCC[N@@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052181831 523089561 /nfs/dbraw/zinc/08/95/61/523089561.db2.gz RVFXWDWBLGNTKC-HNNXBMFYSA-N 1 3 280.456 2.657 10 0 CFAEHO C[C@@H]1CCCN(Cc2ccc(C(N)=[NH2+])cc2F)[C@@H]1C ZINC000050565060 524234099 /nfs/dbraw/zinc/23/40/99/524234099.db2.gz OGXPODCQSWTYHK-GHMZBOCLSA-N 1 3 263.360 2.730 10 0 CFAEHO C[C@@H]1CN(CCCCC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380747 524941545 /nfs/dbraw/zinc/94/15/45/524941545.db2.gz XRYWXYKXQFCXKX-OKILXGFUSA-N 1 3 256.434 2.654 10 0 CFAEHO C[C@@H]1CN(CCCCC[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC000052380751 524942400 /nfs/dbraw/zinc/94/24/00/524942400.db2.gz XRYWXYKXQFCXKX-ZIAGYGMSSA-N 1 3 256.434 2.654 10 0 CFAEHO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCCN(C)C1 ZINC000049577409 525443069 /nfs/dbraw/zinc/44/30/69/525443069.db2.gz DRQVBMIZXDLIMW-AAEUAGOBSA-N 1 3 268.351 2.785 10 0 CFAEHO [NH3+]Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000061702142 527257717 /nfs/dbraw/zinc/25/77/17/527257717.db2.gz POOUNTKKFBBTNS-SFHVURJKSA-N 1 3 282.387 2.799 10 0 CFAEHO C[C@]1(CN2CCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697414 618285601 /nfs/dbraw/zinc/28/56/01/618285601.db2.gz CAEUMVPNBPGADH-BZSNNMDCSA-N 1 3 288.435 2.574 10 0 CFAEHO C[C@]1(c2ccc(F)cc2)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261998014 619361890 /nfs/dbraw/zinc/36/18/90/619361890.db2.gz TTYWOMHDXAOVJY-YOEHRIQHSA-N 1 3 276.399 2.789 10 0 CFAEHO COc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089149140 650829046 /nfs/dbraw/zinc/82/90/46/650829046.db2.gz ABTWUJGSLRCXAH-SUHUHFCYSA-N 1 3 266.360 2.612 10 0 CFAEHO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089149138 650829100 /nfs/dbraw/zinc/82/91/00/650829100.db2.gz ABTWUJGSLRCXAH-ZKYQVNSYSA-N 1 3 266.360 2.612 10 0 CFAEHO COc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000251227451 650985610 /nfs/dbraw/zinc/98/56/10/650985610.db2.gz ABTWUJGSLRCXAH-JKOKRWQUSA-N 1 3 266.360 2.612 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000138963623 647141795 /nfs/dbraw/zinc/14/17/95/647141795.db2.gz YIEUUPZFUBZRPT-UAGQMJEPSA-N 1 3 256.393 2.649 10 0 CFAEHO C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(C)cc21 ZINC000082509308 178075632 /nfs/dbraw/zinc/07/56/32/178075632.db2.gz YVTRIYOZXQXIJQ-CQSZACIVSA-N 1 3 260.381 2.502 10 0 CFAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017277 346325882 /nfs/dbraw/zinc/32/58/82/346325882.db2.gz YKSNSQNHZKYWKV-XJKSGUPXSA-N 1 3 289.423 2.594 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355707 /nfs/dbraw/zinc/35/57/07/179355707.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 1 3 281.488 2.558 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846418 179355708 /nfs/dbraw/zinc/35/57/08/179355708.db2.gz RZGHYWVERVWSBW-IXDOHACOSA-N 1 3 281.488 2.558 10 0 CFAEHO CN(C)Cc1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089142119 179720613 /nfs/dbraw/zinc/72/06/13/179720613.db2.gz BMSNUWRVKSMSFI-GOEBONIOSA-N 1 3 261.413 2.678 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@H]1CCCNC1 ZINC000565539879 290308186 /nfs/dbraw/zinc/30/81/86/290308186.db2.gz NZVJDHAWVOLZRD-WVTZPBJPSA-N 1 3 250.430 2.790 10 0 CFAEHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839401 355601384 /nfs/dbraw/zinc/60/13/84/355601384.db2.gz FYZGVJOFWDHPDY-WZRBSPASSA-N 1 3 284.350 2.876 10 0 CFAEHO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCNCC2)s1 ZINC000129273458 377407419 /nfs/dbraw/zinc/40/74/19/377407419.db2.gz NARAXWQQVZXVLY-DGCLKSJQSA-N 1 3 252.427 2.719 10 0 CFAEHO Cc1ccc(C[C@@H](C)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000129273458 377407426 /nfs/dbraw/zinc/40/74/26/377407426.db2.gz NARAXWQQVZXVLY-DGCLKSJQSA-N 1 3 252.427 2.719 10 0 CFAEHO C[C@@H](NCCc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400737984 380865003 /nfs/dbraw/zinc/86/50/03/380865003.db2.gz KKNLESWHFUGHEG-YPMHNXCESA-N 1 3 297.240 2.579 10 0 CFAEHO C[C@@H](NCc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400480309 380861165 /nfs/dbraw/zinc/86/11/65/380861165.db2.gz FIYLYKWINOPHEC-UKRRQHHQSA-N 1 3 254.377 2.927 10 0 CFAEHO COc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000382275779 382529214 /nfs/dbraw/zinc/52/92/14/382529214.db2.gz FYZQZQSNUMFJON-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000382275779 382529218 /nfs/dbraw/zinc/52/92/18/382529218.db2.gz FYZQZQSNUMFJON-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000382275779 382529221 /nfs/dbraw/zinc/52/92/21/382529221.db2.gz FYZQZQSNUMFJON-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000380768426 382516489 /nfs/dbraw/zinc/51/64/89/382516489.db2.gz RDSDYFNRWQGTFM-DAXOMENPSA-N 1 3 294.826 2.778 10 0 CFAEHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000261558883 383511423 /nfs/dbraw/zinc/51/14/23/383511423.db2.gz SVUXSUCBVSGIQW-IACUBPJLSA-N 1 3 250.411 2.534 10 0 CFAEHO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCCNC1 ZINC000643481423 384656387 /nfs/dbraw/zinc/65/63/87/384656387.db2.gz IAIHRNBWKRAPSS-VFPGXZCRSA-N 1 3 288.435 2.712 10 0 CFAEHO C[C@H](NC1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643481423 384656397 /nfs/dbraw/zinc/65/63/97/384656397.db2.gz IAIHRNBWKRAPSS-VFPGXZCRSA-N 1 3 288.435 2.712 10 0 CFAEHO COCCN1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1C ZINC000185641049 393535793 /nfs/dbraw/zinc/53/57/93/393535793.db2.gz NFVQMWRNPRSEFO-OAHLLOKOSA-N 1 3 299.418 2.700 10 0 CFAEHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381668280 393565545 /nfs/dbraw/zinc/56/55/45/393565545.db2.gz KSQHKVXLXOIRKJ-STQMWFEESA-N 1 3 260.372 2.743 10 0 CFAEHO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000171939353 394372753 /nfs/dbraw/zinc/37/27/53/394372753.db2.gz NYRGVYGVMDASQD-CQSZACIVSA-N 1 3 267.376 2.828 10 0 CFAEHO Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000171939353 394372755 /nfs/dbraw/zinc/37/27/55/394372755.db2.gz NYRGVYGVMDASQD-CQSZACIVSA-N 1 3 267.376 2.828 10 0 CFAEHO CCCN1CCC(CN)([N@H+](CC)C2CCCCC2)CC1 ZINC000035176746 172030039 /nfs/dbraw/zinc/03/00/39/172030039.db2.gz WURQZWWCYOCBFN-UHFFFAOYSA-N 1 3 281.488 2.844 10 0 CFAEHO CCCN1CCC(CN)([N@@H+](CC)C2CCCCC2)CC1 ZINC000035176746 172030042 /nfs/dbraw/zinc/03/00/42/172030042.db2.gz WURQZWWCYOCBFN-UHFFFAOYSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661428 172339873 /nfs/dbraw/zinc/33/98/73/172339873.db2.gz IIGYOLHRAVYWSA-ZIAGYGMSSA-N 1 3 250.386 2.532 10 0 CFAEHO CC[N@@H+]1CCC[C@@H]([C@@H](C)NCCc2ccco2)C1 ZINC000035661428 172339876 /nfs/dbraw/zinc/33/98/76/172339876.db2.gz IIGYOLHRAVYWSA-ZIAGYGMSSA-N 1 3 250.386 2.532 10 0 CFAEHO CC[N@H+]1CCC[C@@H]([C@@H](C)NCCc2ccco2)C1 ZINC000035661428 172339877 /nfs/dbraw/zinc/33/98/77/172339877.db2.gz IIGYOLHRAVYWSA-ZIAGYGMSSA-N 1 3 250.386 2.532 10 0 CFAEHO C[C@@H](N[C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000037220962 173039841 /nfs/dbraw/zinc/03/98/41/173039841.db2.gz AHVRXJYOBKLSMB-FRFSOERESA-N 1 3 258.409 2.994 10 0 CFAEHO C[C@@H](N[C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220962 173039843 /nfs/dbraw/zinc/03/98/43/173039843.db2.gz AHVRXJYOBKLSMB-FRFSOERESA-N 1 3 258.409 2.994 10 0 CFAEHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C)C1 ZINC000037221930 173042523 /nfs/dbraw/zinc/04/25/23/173042523.db2.gz NVFKUCIVSKYEOY-TZMCWYRMSA-N 1 3 250.361 2.646 10 0 CFAEHO CCc1ccc(C[N@@H+](CC)C2CCNCC2)s1 ZINC000037538068 173257583 /nfs/dbraw/zinc/25/75/83/173257583.db2.gz JQONGPSQYOXSEG-UHFFFAOYSA-N 1 3 252.427 2.884 10 0 CFAEHO CCc1ccc(C[N@H+](CC)C2CCNCC2)s1 ZINC000037538068 173257584 /nfs/dbraw/zinc/25/75/84/173257584.db2.gz JQONGPSQYOXSEG-UHFFFAOYSA-N 1 3 252.427 2.884 10 0 CFAEHO C[C@@H]([NH3+])c1cc(F)ccc1OCCN1CCCCC1 ZINC000040240254 174212662 /nfs/dbraw/zinc/21/26/62/174212662.db2.gz CJUCKLYRZHMXDM-GFCCVEGCSA-N 1 3 266.360 2.710 10 0 CFAEHO Cc1[nH]c2ccccc2c1CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749434 174393766 /nfs/dbraw/zinc/39/37/66/174393766.db2.gz UKPNOTCSHYPBRS-AGUYFDCRSA-N 1 3 269.392 2.930 10 0 CFAEHO COc1ccccc1C[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749445 174394067 /nfs/dbraw/zinc/39/40/67/174394067.db2.gz UHMTVZAMTPDOBS-OHRKKDJYSA-N 1 3 274.408 2.580 10 0 CFAEHO NC[C@H](c1cccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000042277577 174673882 /nfs/dbraw/zinc/67/38/82/174673882.db2.gz MWQWTROCOKXHDF-OAHLLOKOSA-N 1 3 293.480 2.698 10 0 CFAEHO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCN(C)C)CC(C)C ZINC000043336303 175012305 /nfs/dbraw/zinc/01/23/05/175012305.db2.gz GHEHEEOLPFDNTI-HOCLYGCPSA-N 1 3 281.444 2.578 10 0 CFAEHO C[C@H](C[C@H](CN)[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534562 175063096 /nfs/dbraw/zinc/06/30/96/175063096.db2.gz RALPOHMFIZQUJD-CRAIPNDOSA-N 1 3 289.467 2.534 10 0 CFAEHO C[C@H](C[C@H](CN)[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534562 175063097 /nfs/dbraw/zinc/06/30/97/175063097.db2.gz RALPOHMFIZQUJD-CRAIPNDOSA-N 1 3 289.467 2.534 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCN(CCC)CC1 ZINC000043805545 175107592 /nfs/dbraw/zinc/10/75/92/175107592.db2.gz LVIZNGFVRLICTC-HZPDHXFCSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805607 175107799 /nfs/dbraw/zinc/10/77/99/175107799.db2.gz KSRZSDYBCAFCET-IKGGRYGDSA-N 1 3 281.488 2.571 10 0 CFAEHO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN1CCCC1 ZINC000043807204 175108505 /nfs/dbraw/zinc/10/85/05/175108505.db2.gz UVVLPZFLJQSICG-CYBMUJFWSA-N 1 3 262.397 2.962 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@H]1N(C)C1CCN(C)CC1 ZINC000043815333 175112472 /nfs/dbraw/zinc/11/24/72/175112472.db2.gz LPIXRZFDVABVIK-DLBZAZTESA-N 1 3 281.488 2.713 10 0 CFAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CCCN(C)CC1 ZINC000043818138 175112777 /nfs/dbraw/zinc/11/27/77/175112777.db2.gz IUQCLWATYRSMIW-ZWKOTPCHSA-N 1 3 289.467 2.609 10 0 CFAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043896962 175119748 /nfs/dbraw/zinc/11/97/48/175119748.db2.gz FYHGPHMLAJVNJG-WMZOPIPTSA-N 1 3 289.467 2.670 10 0 CFAEHO CCc1ccc([C@H](CN2CCN(C(C)C)CC2)[NH2+]C)cc1 ZINC000043896990 175120119 /nfs/dbraw/zinc/12/01/19/175120119.db2.gz LLWSXOXFNLOSIS-SFHVURJKSA-N 1 3 289.467 2.536 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000044806451 175256366 /nfs/dbraw/zinc/25/63/66/175256366.db2.gz WHOJWMKTVDLSGH-OAHLLOKOSA-N 1 3 299.503 2.624 10 0 CFAEHO C[C@H](CN1Cc2ccccc2C1=[NH2+])N1CCCCC1 ZINC000044995266 175287339 /nfs/dbraw/zinc/28/73/39/175287339.db2.gz FHQYHJWGRVULLJ-CYBMUJFWSA-N 1 3 257.381 2.702 10 0 CFAEHO C[NH2+]C[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000071148179 176044258 /nfs/dbraw/zinc/04/42/58/176044258.db2.gz WKWIDBBNZPRUMA-CYBMUJFWSA-N 1 3 255.365 2.589 10 0 CFAEHO CC(C)[C@@H](CN(C)C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268922 176102819 /nfs/dbraw/zinc/10/28/19/176102819.db2.gz IPWYHDXSLKFIRW-CQSZACIVSA-N 1 3 263.360 2.553 10 0 CFAEHO Cc1cccc2[nH]c(C3CCN(C[C@@H]4CC[NH2+]C4)CC3)nc21 ZINC000077288160 177249195 /nfs/dbraw/zinc/24/91/95/177249195.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 1 3 298.434 2.660 10 0 CFAEHO Cc1cccc2nc(C3CCN(C[C@@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288160 177249197 /nfs/dbraw/zinc/24/91/97/177249197.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 1 3 298.434 2.660 10 0 CFAEHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000226206391 270256253 /nfs/dbraw/zinc/25/62/53/270256253.db2.gz KPYZPAMZTWRZOS-HUUCEWRRSA-N 1 3 270.461 2.759 10 0 CFAEHO [NH3+]CCCOC1CCN(c2ccnc3ccccc32)CC1 ZINC000094073397 279627349 /nfs/dbraw/zinc/62/73/49/279627349.db2.gz HENGGDOFIBOYES-UHFFFAOYSA-N 1 3 285.391 2.569 10 0 CFAEHO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1 ZINC000261825599 280570760 /nfs/dbraw/zinc/57/07/60/280570760.db2.gz UJCCHRKOVIRPDU-HIFRSBDPSA-N 1 3 267.376 2.731 10 0 CFAEHO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000227077164 280573241 /nfs/dbraw/zinc/57/32/41/280573241.db2.gz IFMZULRXTQFBBV-FZMZJTMJSA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCNC1 ZINC000567375360 290459474 /nfs/dbraw/zinc/45/94/74/290459474.db2.gz XBTRKCAAHRWFOM-BYNSBNAKSA-N 1 3 268.445 2.558 10 0 CFAEHO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000382471442 324429009 /nfs/dbraw/zinc/42/90/09/324429009.db2.gz PYUXOBWIDXLZPK-STQMWFEESA-N 1 3 255.365 2.504 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052503247 519717022 /nfs/dbraw/zinc/71/70/22/519717022.db2.gz MRIKFLORLLUXNG-MRXNPFEDSA-N 1 3 271.493 2.529 10 0 CFAEHO CC[NH2+]Cc1cc(CN2CCCSCC2)oc1C ZINC000052371035 519987784 /nfs/dbraw/zinc/98/77/84/519987784.db2.gz UPJFNMDGTCEUQB-UHFFFAOYSA-N 1 3 268.426 2.636 10 0 CFAEHO CCCCOCCN(CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264141 520761005 /nfs/dbraw/zinc/76/10/05/520761005.db2.gz LARCKMHURVBHDW-XYPWUTKMSA-N 1 3 268.445 2.798 10 0 CFAEHO CC[N@@H+](CC1(CNC2CC2)CCOCC1)C1CCCC1 ZINC000052181634 520938058 /nfs/dbraw/zinc/93/80/58/520938058.db2.gz FFEUXFNFQURPGQ-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO CCCN(CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181424 521618440 /nfs/dbraw/zinc/61/84/40/521618440.db2.gz GMNZADPFWGVGJD-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO C[NH2+]CC[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000052443898 522016565 /nfs/dbraw/zinc/01/65/65/522016565.db2.gz MQPWORFZJYTTIO-OAHLLOKOSA-N 1 3 260.425 2.939 10 0 CFAEHO CNCC[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443898 522016574 /nfs/dbraw/zinc/01/65/74/522016574.db2.gz MQPWORFZJYTTIO-OAHLLOKOSA-N 1 3 260.425 2.939 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccs2)O1 ZINC000052456364 519723790 /nfs/dbraw/zinc/72/37/90/519723790.db2.gz QHCUJABKXFTQGB-UONOGXRCSA-N 1 3 282.453 2.726 10 0 CFAEHO CC(C)[C@H](C[NH2+]C(C)(C)C)OCCN1CCCCC1 ZINC000052670635 519815832 /nfs/dbraw/zinc/81/58/32/519815832.db2.gz MVVJFRBJBRGGQX-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)CC2CC2)CCOCC1 ZINC000069262679 519910092 /nfs/dbraw/zinc/91/00/92/519910092.db2.gz YJBZTAGPIVOOGR-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNCC1(C[N@H+](CC)CC2CC2)CCOCC1 ZINC000069262679 519910094 /nfs/dbraw/zinc/91/00/94/519910094.db2.gz YJBZTAGPIVOOGR-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCNCC1(C[N@@H+](CC)CC2CC2)CCOCC1 ZINC000069262679 519910098 /nfs/dbraw/zinc/91/00/98/519910098.db2.gz YJBZTAGPIVOOGR-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCC[NH2+]CCC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417333 519913464 /nfs/dbraw/zinc/91/34/64/519913464.db2.gz IQUKXRLHBPVORV-KRWDZBQOSA-N 1 3 289.467 2.977 10 0 CFAEHO CCC[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443266 519951010 /nfs/dbraw/zinc/95/10/10/519951010.db2.gz FDKUSMLKDFSTJU-UHFFFAOYSA-N 1 3 264.438 2.735 10 0 CFAEHO CCC[NH2+]Cc1occc1CN(C)[C@@H]1CCSC1 ZINC000052453277 519973607 /nfs/dbraw/zinc/97/36/07/519973607.db2.gz LZEWIPSCFZXFFT-CYBMUJFWSA-N 1 3 268.426 2.717 10 0 CFAEHO CCCCC[N@H+](CC1(CNC)CCOCC1)C(C)C ZINC000052183277 520161364 /nfs/dbraw/zinc/16/13/64/520161364.db2.gz KERSMJZMYYHQAB-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCC[N@@H+](CC1(CNC)CCOCC1)C(C)C ZINC000052183277 520161373 /nfs/dbraw/zinc/16/13/73/520161373.db2.gz KERSMJZMYYHQAB-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CC[N@H+](CC1(CNC2CC2)CCOCC1)C1CCCC1 ZINC000052181634 520938046 /nfs/dbraw/zinc/93/80/46/520938046.db2.gz FFEUXFNFQURPGQ-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO CC[NH+]1CCC(N(C)c2ccc(Cl)cc2CN)CC1 ZINC000052857539 521567244 /nfs/dbraw/zinc/56/72/44/521567244.db2.gz HGYKWIUISPHBNU-UHFFFAOYSA-N 1 3 281.831 2.719 10 0 CFAEHO CCC[N@H+](CC1CC1)CC1(CNCC)CCOCC1 ZINC000052182655 521624298 /nfs/dbraw/zinc/62/42/98/521624298.db2.gz NFHSCZYHHVGEEV-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCC[N@@H+](CC1CC1)CC1(CNCC)CCOCC1 ZINC000052182655 521624301 /nfs/dbraw/zinc/62/43/01/521624301.db2.gz NFHSCZYHHVGEEV-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCS[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000233840678 521726495 /nfs/dbraw/zinc/72/64/95/521726495.db2.gz YSHOAHUACUNIFG-ZIAGYGMSSA-N 1 3 256.459 2.736 10 0 CFAEHO CNCc1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000052378789 522139820 /nfs/dbraw/zinc/13/98/20/522139820.db2.gz UPLBFDFQTHHQAW-CQSZACIVSA-N 1 3 262.397 2.659 10 0 CFAEHO CNCc1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000052378789 522139826 /nfs/dbraw/zinc/13/98/26/522139826.db2.gz UPLBFDFQTHHQAW-CQSZACIVSA-N 1 3 262.397 2.659 10 0 CFAEHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)s1 ZINC000234750461 522288718 /nfs/dbraw/zinc/28/87/18/522288718.db2.gz OKIDDVAZIPMYDC-NXEZZACHSA-N 1 3 276.833 2.806 10 0 CFAEHO C[N@H+](CC1(CNC2CC2)CCOCC1)C1CCCCC1 ZINC000052181027 522591414 /nfs/dbraw/zinc/59/14/14/522591414.db2.gz GDNGVCGURULBRD-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO C[N@@H+](CC1(CNC2CC2)CCOCC1)C1CCCCC1 ZINC000052181027 522591420 /nfs/dbraw/zinc/59/14/20/522591420.db2.gz GDNGVCGURULBRD-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(C)c(F)c1 ZINC000234801934 522668443 /nfs/dbraw/zinc/66/84/43/522668443.db2.gz XSWJPHBFWQUQKP-JSGCOSHPSA-N 1 3 268.376 2.539 10 0 CFAEHO COCCN(C[C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545315 523732996 /nfs/dbraw/zinc/73/29/96/523732996.db2.gz SMKQNHPLCYPHKI-CABCVRRESA-N 1 3 270.461 2.615 10 0 CFAEHO Cc1cccc(N2CCN(CCC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000052764234 524555545 /nfs/dbraw/zinc/55/55/45/524555545.db2.gz JIFXWIGTNMGTIY-KRWDZBQOSA-N 1 3 287.451 2.649 10 0 CFAEHO C[C@@H]([N@H+](C)CC1(CNC2CC2)CCOCC1)C(C)(C)C ZINC000052182310 524981485 /nfs/dbraw/zinc/98/14/85/524981485.db2.gz WKFURBIMMDSIMK-CQSZACIVSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@@H]([N@@H+](C)CC1(CNC2CC2)CCOCC1)C(C)(C)C ZINC000052182310 524981494 /nfs/dbraw/zinc/98/14/94/524981494.db2.gz WKFURBIMMDSIMK-CQSZACIVSA-N 1 3 282.472 2.902 10 0 CFAEHO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000216179479 525099216 /nfs/dbraw/zinc/09/92/16/525099216.db2.gz IVNRXCJFBPVMKH-STQMWFEESA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@@H](NC1CCC([NH3+])CC1)c1ccc(Br)cn1 ZINC000335023242 525398088 /nfs/dbraw/zinc/39/80/88/525398088.db2.gz PZHBIIMRTXQUPB-OIKLOGQESA-N 1 3 298.228 2.765 10 0 CFAEHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCCN(C)C1 ZINC000049577408 525524565 /nfs/dbraw/zinc/52/45/65/525524565.db2.gz DRQVBMIZXDLIMW-DGCLKSJQSA-N 1 3 268.351 2.785 10 0 CFAEHO NCCC[N@H+](C1CCOCC1)C1CCCCCC1 ZINC000069289727 527178172 /nfs/dbraw/zinc/17/81/72/527178172.db2.gz VRYBVHUIPPWYMK-UHFFFAOYSA-N 1 3 254.418 2.539 10 0 CFAEHO NCCC[N@@H+](C1CCOCC1)C1CCCCCC1 ZINC000069289727 527178179 /nfs/dbraw/zinc/17/81/79/527178179.db2.gz VRYBVHUIPPWYMK-UHFFFAOYSA-N 1 3 254.418 2.539 10 0 CFAEHO NNc1cc(CN2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718561 527273702 /nfs/dbraw/zinc/27/37/02/527273702.db2.gz GBNRKLQHHALGOH-KGLIPLIRSA-N 1 3 260.385 2.522 10 0 CFAEHO NNc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052718565 527274078 /nfs/dbraw/zinc/27/40/78/527274078.db2.gz GBNRKLQHHALGOH-KBPBESRZSA-N 1 3 260.385 2.522 10 0 CFAEHO CC[NH+]1CCC2(CC1)NC1(CCCCC1)CCO2 ZINC000757144702 617810614 /nfs/dbraw/zinc/81/06/14/617810614.db2.gz HBPQUIDTCSDYMZ-UHFFFAOYSA-N 1 3 252.402 2.511 10 0 CFAEHO C[C@]1(c2ccc(F)cc2)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998009 619361940 /nfs/dbraw/zinc/36/19/40/619361940.db2.gz TTYWOMHDXAOVJY-PBHICJAKSA-N 1 3 276.399 2.789 10 0 CFAEHO NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038877502 346339631 /nfs/dbraw/zinc/33/96/31/346339631.db2.gz KAXQIIGCHQPXCF-ZWKOTPCHSA-N 1 3 266.388 2.861 10 0 CFAEHO NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038877502 346339635 /nfs/dbraw/zinc/33/96/35/346339635.db2.gz KAXQIIGCHQPXCF-ZWKOTPCHSA-N 1 3 266.388 2.861 10 0 CFAEHO NC[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000150029169 347954403 /nfs/dbraw/zinc/95/44/03/347954403.db2.gz ZGHAWIXJFKZUPF-GOSISDBHSA-N 1 3 266.388 2.789 10 0 CFAEHO NC[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000150029169 347954405 /nfs/dbraw/zinc/95/44/05/347954405.db2.gz ZGHAWIXJFKZUPF-GOSISDBHSA-N 1 3 266.388 2.789 10 0 CFAEHO [NH3+]C[C@]1(c2ccccc2)CCN(Cc2ccccc2)C1 ZINC000150029169 347954407 /nfs/dbraw/zinc/95/44/07/347954407.db2.gz ZGHAWIXJFKZUPF-GOSISDBHSA-N 1 3 266.388 2.789 10 0 CFAEHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)CC2)c(OC)c1 ZINC000086817572 179346062 /nfs/dbraw/zinc/34/60/62/179346062.db2.gz DXGVOERDBDRIPF-ZIAGYGMSSA-N 1 3 292.423 2.839 10 0 CFAEHO COc1ccc(CN(C)C)cc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817802 179346077 /nfs/dbraw/zinc/34/60/77/179346077.db2.gz SSQOIHSVMALZMJ-OAHLLOKOSA-N 1 3 291.439 2.653 10 0 CFAEHO COc1ccc(CN(C)C)cc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817802 179346078 /nfs/dbraw/zinc/34/60/78/179346078.db2.gz SSQOIHSVMALZMJ-OAHLLOKOSA-N 1 3 291.439 2.653 10 0 CFAEHO CCN1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000086839176 179351117 /nfs/dbraw/zinc/35/11/17/179351117.db2.gz MOCZATAJDZXGJZ-GOEBONIOSA-N 1 3 274.408 2.974 10 0 CFAEHO CCCN1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358287 /nfs/dbraw/zinc/35/82/87/179358287.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 1 3 287.451 2.891 10 0 CFAEHO CCCN1CCC[C@H]([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000086850814 179358289 /nfs/dbraw/zinc/35/82/89/179358289.db2.gz RNWLKJLASMBBBR-INIZCTEOSA-N 1 3 287.451 2.891 10 0 CFAEHO CN(C)CCN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000104202089 185929090 /nfs/dbraw/zinc/92/90/90/185929090.db2.gz RYJHJKJYLZEWQD-UHFFFAOYSA-N 1 3 263.429 2.573 10 0 CFAEHO C[C@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631842349 355603924 /nfs/dbraw/zinc/60/39/24/355603924.db2.gz ZCCNNTRUXVKFJE-GUYCJALGSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CN ZINC000631842349 355603926 /nfs/dbraw/zinc/60/39/26/355603926.db2.gz ZCCNNTRUXVKFJE-GUYCJALGSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CN ZINC000631842349 355603928 /nfs/dbraw/zinc/60/39/28/355603928.db2.gz ZCCNNTRUXVKFJE-GUYCJALGSA-N 1 3 254.377 2.866 10 0 CFAEHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390914354 540985694 /nfs/dbraw/zinc/98/56/94/540985694.db2.gz SDOBNXXDEYJYOG-RYUDHWBXSA-N 1 3 260.372 2.790 10 0 CFAEHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCCCC1(F)F ZINC000390914354 540985696 /nfs/dbraw/zinc/98/56/96/540985696.db2.gz SDOBNXXDEYJYOG-RYUDHWBXSA-N 1 3 260.372 2.790 10 0 CFAEHO [NH3+]CCCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000049580678 373312349 /nfs/dbraw/zinc/31/23/49/373312349.db2.gz KTHVLLDHNWSYBB-UHFFFAOYSA-N 1 3 281.831 2.591 10 0 CFAEHO Cc1ccc2nccc(N3CC[C@H]([NH+](C)C)C3)c2c1 ZINC000185626008 381688002 /nfs/dbraw/zinc/68/80/02/381688002.db2.gz ZHAAHCQESWBBID-ZDUSSCGKSA-N 1 3 255.365 2.684 10 0 CFAEHO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000382471435 382530731 /nfs/dbraw/zinc/53/07/31/382530731.db2.gz PYUXOBWIDXLZPK-CHWSQXEVSA-N 1 3 255.365 2.504 10 0 CFAEHO COc1ccc(Br)cc1[C@H](N)CCCC[NH3+] ZINC000575440293 382771743 /nfs/dbraw/zinc/77/17/43/382771743.db2.gz ZVSZCIGBUHZLRH-LLVKDONJSA-N 1 3 287.201 2.587 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698511 383545357 /nfs/dbraw/zinc/54/53/57/383545357.db2.gz NXNDCWJPJZLIFQ-HZUKXOBISA-N 1 3 285.366 2.543 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]12 ZINC000261573522 383516002 /nfs/dbraw/zinc/51/60/02/383516002.db2.gz ASRAULRCPRCDBD-IXDOHACOSA-N 1 3 256.393 2.733 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@@H]12 ZINC000261587135 383520379 /nfs/dbraw/zinc/52/03/79/383520379.db2.gz JGQBVUVZNKZMQW-NWANDNLSSA-N 1 3 256.349 2.602 10 0 CFAEHO Cc1cc(C)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612406 383528054 /nfs/dbraw/zinc/52/80/54/383528054.db2.gz SPNHRUBWWPWLQC-UAGQMJEPSA-N 1 3 258.409 2.781 10 0 CFAEHO COC[C@]1(CNc2cc(C)nc3ccccc32)CCC[NH2+]1 ZINC000261690865 383543158 /nfs/dbraw/zinc/54/31/58/383543158.db2.gz NJQPAVSUFXLIAI-QGZVFWFLSA-N 1 3 285.391 2.724 10 0 CFAEHO Cc1cccc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038268 383598300 /nfs/dbraw/zinc/59/83/00/383598300.db2.gz XYUKRGVUQBYGQQ-RDJZCZTQSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000262038268 383598307 /nfs/dbraw/zinc/59/83/07/383598307.db2.gz XYUKRGVUQBYGQQ-RDJZCZTQSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000262038268 383598312 /nfs/dbraw/zinc/59/83/12/383598312.db2.gz XYUKRGVUQBYGQQ-RDJZCZTQSA-N 1 3 258.409 2.784 10 0 CFAEHO CC(C)Oc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780840 383559743 /nfs/dbraw/zinc/55/97/43/383559743.db2.gz PLGKNVGOAVMOOB-BHYGNILZSA-N 1 3 274.408 2.643 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261807169 383564942 /nfs/dbraw/zinc/56/49/42/383564942.db2.gz RXAKZAGJXXICSM-RCBQFDQVSA-N 1 3 270.376 2.910 10 0 CFAEHO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCCNC1 ZINC000643454435 384635044 /nfs/dbraw/zinc/63/50/44/384635044.db2.gz RMSGXNGKHOJTBW-ZIAGYGMSSA-N 1 3 271.408 2.688 10 0 CFAEHO CC(C)[C@@H]([NH2+]C1CCNCC1)c1ccc(F)cc1 ZINC000038041008 393537505 /nfs/dbraw/zinc/53/75/05/393537505.db2.gz MQEOTPIVQCPDFU-OAHLLOKOSA-N 1 3 250.361 2.864 10 0 CFAEHO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1C ZINC000045171437 393570203 /nfs/dbraw/zinc/57/02/03/393570203.db2.gz IBMUHBJZCRLPCM-IUODEOHRSA-N 1 3 290.455 2.655 10 0 CFAEHO c1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000648070357 395496815 /nfs/dbraw/zinc/49/68/15/395496815.db2.gz UTGOMXKTZJFUAZ-XOKHGSTOSA-N 1 3 271.408 2.829 10 0 CFAEHO CCCN(CCC)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022152600 171359720 /nfs/dbraw/zinc/35/97/20/171359720.db2.gz HQTRGGBBZJHKBS-CYBMUJFWSA-N 1 3 277.412 2.594 10 0 CFAEHO Cc1ccc(CN(C)[C@H]2CCCCC[C@@H]2C[NH3+])o1 ZINC000035699119 172366822 /nfs/dbraw/zinc/36/68/22/172366822.db2.gz DTNZYGZWXXJESD-HIFRSBDPSA-N 1 3 250.386 2.927 10 0 CFAEHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000040506734 174302429 /nfs/dbraw/zinc/30/24/29/174302429.db2.gz XFHFYTIWQRAUKB-HZPDHXFCSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000040506734 174302432 /nfs/dbraw/zinc/30/24/32/174302432.db2.gz XFHFYTIWQRAUKB-HZPDHXFCSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCC[NH2+][C@H](C)[C@@H]1CCCN(CCC)C1 ZINC000040506734 174302434 /nfs/dbraw/zinc/30/24/34/174302434.db2.gz XFHFYTIWQRAUKB-HZPDHXFCSA-N 1 3 270.461 2.903 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)C1CCN(C)CC1 ZINC000043115565 174975307 /nfs/dbraw/zinc/97/53/07/174975307.db2.gz GGXZMAVBCMUGJI-GJZGRUSLSA-N 1 3 281.469 2.553 10 0 CFAEHO C[NH2+]Cc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000043559860 175065861 /nfs/dbraw/zinc/06/58/61/175065861.db2.gz GBPPJJXEELRSJO-MJBXVCDLSA-N 1 3 289.423 2.606 10 0 CFAEHO CCCN1CCN([C@H](CC)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805396 175107443 /nfs/dbraw/zinc/10/74/43/175107443.db2.gz LGNXVLOQEKBUNP-QZTJIDSGSA-N 1 3 289.467 2.753 10 0 CFAEHO CCN(CC)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043809137 175109863 /nfs/dbraw/zinc/10/98/63/175109863.db2.gz YHPFUHVXJUCMHD-LBPRGKRZSA-N 1 3 250.386 2.817 10 0 CFAEHO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N(C)C1CCN(C)CC1 ZINC000043815254 175111647 /nfs/dbraw/zinc/11/16/47/175111647.db2.gz PNORISTVBCPOKO-ZWKOTPCHSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815451 175112530 /nfs/dbraw/zinc/11/25/30/175112530.db2.gz BHGFCVARJCNXIW-IAGOWNOFSA-N 1 3 283.504 2.959 10 0 CFAEHO CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818514 175112925 /nfs/dbraw/zinc/11/29/25/175112925.db2.gz DXIQPJLKPXEMRN-WMZOPIPTSA-N 1 3 289.467 2.753 10 0 CFAEHO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(C)CC ZINC000043820223 175113978 /nfs/dbraw/zinc/11/39/78/175113978.db2.gz FAYATGTYWCLTEX-GFCCVEGCSA-N 1 3 250.386 2.817 10 0 CFAEHO CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CCCN(C)CC1 ZINC000043818543 175114000 /nfs/dbraw/zinc/11/40/00/175114000.db2.gz WEGZFIPYUREHOL-IRXDYDNUSA-N 1 3 281.488 2.715 10 0 CFAEHO CCC[NH2+][C@@H](CC)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965700 175127019 /nfs/dbraw/zinc/12/70/19/175127019.db2.gz FBIBQPDUXPYLAB-GJZGRUSLSA-N 1 3 269.477 2.569 10 0 CFAEHO C[NH2+][C@H](CN(CCN(C)C)CC(C)C)c1ccccc1C ZINC000043982070 175133893 /nfs/dbraw/zinc/13/38/93/175133893.db2.gz PVSKFPFXDDJJBX-GOSISDBHSA-N 1 3 291.483 2.775 10 0 CFAEHO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747571 175242912 /nfs/dbraw/zinc/24/29/12/175242912.db2.gz ZCUYKNZDTHHESG-WBMJQRKESA-N 1 3 262.397 2.699 10 0 CFAEHO CCCCN1CCC([NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045171178 175321033 /nfs/dbraw/zinc/32/10/33/175321033.db2.gz IIXXVNWEZPOEEG-CYBMUJFWSA-N 1 3 292.471 2.952 10 0 CFAEHO C[C@H]1C[C@H](C)CN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267582 176101226 /nfs/dbraw/zinc/10/12/26/176101226.db2.gz QRJKRZGWEGZXNW-QWRGUYRKSA-N 1 3 263.360 2.588 10 0 CFAEHO C[NH2+]Cc1cc(C)ccc1OCCN1CCCCC1 ZINC000071403549 176154971 /nfs/dbraw/zinc/15/49/71/176154971.db2.gz CJHVWAJUSPPWMC-UHFFFAOYSA-N 1 3 262.397 2.579 10 0 CFAEHO Cc1cccc2[nH]c(C3CCN(C[C@H]4CC[NH2+]C4)CC3)nc21 ZINC000077288161 177249165 /nfs/dbraw/zinc/24/91/65/177249165.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 1 3 298.434 2.660 10 0 CFAEHO Cc1cccc2nc(C3CCN(C[C@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288161 177249166 /nfs/dbraw/zinc/24/91/66/177249166.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 1 3 298.434 2.660 10 0 CFAEHO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000094342598 274710999 /nfs/dbraw/zinc/71/09/99/274710999.db2.gz IFMZULRXTQFBBV-RISCZKNCSA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@@H](NCCc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000400737980 278348651 /nfs/dbraw/zinc/34/86/51/278348651.db2.gz KKNLESWHFUGHEG-DGCLKSJQSA-N 1 3 297.240 2.579 10 0 CFAEHO Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000560966644 282044724 /nfs/dbraw/zinc/04/47/24/282044724.db2.gz CLWMFGYZAIJRLQ-HIFRSBDPSA-N 1 3 264.388 2.654 10 0 CFAEHO Cc1cc(F)ccc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000560966644 282044725 /nfs/dbraw/zinc/04/47/25/282044725.db2.gz CLWMFGYZAIJRLQ-HIFRSBDPSA-N 1 3 264.388 2.654 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)s1 ZINC000582295404 325193191 /nfs/dbraw/zinc/19/31/91/325193191.db2.gz HFXXHTGOXWWLMF-YUTCNCBUSA-N 1 3 266.454 2.965 10 0 CFAEHO CC(C)C[NH2+]CC1(CN2CCC(C)CC2)CCOCC1 ZINC000052180636 519742837 /nfs/dbraw/zinc/74/28/37/519742837.db2.gz IZRLZWJQFTXBOE-UHFFFAOYSA-N 1 3 282.472 2.761 10 0 CFAEHO CC(C)[C@@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181745 519791160 /nfs/dbraw/zinc/79/11/60/519791160.db2.gz LRXWPFIUDGOMIJ-CQSZACIVSA-N 1 3 268.445 2.512 10 0 CFAEHO CC(C)[C@@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181745 519791161 /nfs/dbraw/zinc/79/11/61/519791161.db2.gz LRXWPFIUDGOMIJ-CQSZACIVSA-N 1 3 268.445 2.512 10 0 CFAEHO CCC[NH2+]CC1(CN(C)C2CCCC2)CCOCC1 ZINC000052181347 519910287 /nfs/dbraw/zinc/91/02/87/519910287.db2.gz MMMGDUFZECJZNF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCNCC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181347 519910290 /nfs/dbraw/zinc/91/02/90/519910290.db2.gz MMMGDUFZECJZNF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCNCC1(C[N@@H+](C)C2CCCC2)CCOCC1 ZINC000052181347 519910292 /nfs/dbraw/zinc/91/02/92/519910292.db2.gz MMMGDUFZECJZNF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000069380848 521255849 /nfs/dbraw/zinc/25/58/49/521255849.db2.gz ZKTGSFOAHPMCSL-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CC(C)(C)[NH2+]CC1(CN2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183022 518753161 /nfs/dbraw/zinc/75/31/61/518753161.db2.gz DRAAHZMXZBQESA-LSDHHAIUSA-N 1 3 280.456 2.656 10 0 CFAEHO CC(C)N1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815780 519688361 /nfs/dbraw/zinc/68/83/61/519688361.db2.gz JMPVLHHFSKQKQS-MRXNPFEDSA-N 1 3 276.424 2.775 10 0 CFAEHO CC(C)[NH2+]C[C@@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419948 519722969 /nfs/dbraw/zinc/72/29/69/519722969.db2.gz YNDBIELOLOCLAP-SFHVURJKSA-N 1 3 289.467 2.752 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346233 519725392 /nfs/dbraw/zinc/72/53/92/519725392.db2.gz MPZOFTJHGLWXIX-SJORKVTESA-N 1 3 294.414 2.803 10 0 CFAEHO CC(C)[NH2+]Cc1ccccc1OCCN(C)C1CC1 ZINC000052445368 519728097 /nfs/dbraw/zinc/72/80/97/519728097.db2.gz KNMTVGRNMDFULB-UHFFFAOYSA-N 1 3 262.397 2.658 10 0 CFAEHO CC[NH2+][C@H](C)CCCCN1CCN([C@H](C)CC)CC1 ZINC000055065111 520172461 /nfs/dbraw/zinc/17/24/61/520172461.db2.gz XGYIKMDZDIQRGT-HZPDHXFCSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCCC[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075261 520225189 /nfs/dbraw/zinc/22/51/89/520225189.db2.gz XPAIYLXMVOXIHI-JKSUJKDBSA-N 1 3 269.477 2.571 10 0 CFAEHO CC[NH+](CC)CCOc1cc(F)ccc1[C@H](C)N ZINC000062745917 520696579 /nfs/dbraw/zinc/69/65/79/520696579.db2.gz VJYOGBKUDCYITG-NSHDSACASA-N 1 3 254.349 2.566 10 0 CFAEHO CC[N@H+](CCOc1ccccc1CNC)C(C)C ZINC000052446792 521153598 /nfs/dbraw/zinc/15/35/98/521153598.db2.gz GPZYRFQTWJRCNW-UHFFFAOYSA-N 1 3 250.386 2.515 10 0 CFAEHO CC[N@@H+](CCOc1ccccc1CNC)C(C)C ZINC000052446792 521153611 /nfs/dbraw/zinc/15/36/11/521153611.db2.gz GPZYRFQTWJRCNW-UHFFFAOYSA-N 1 3 250.386 2.515 10 0 CFAEHO CCCC[C@](CC)(C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000069380069 521253078 /nfs/dbraw/zinc/25/30/78/521253078.db2.gz BIYRSMMINIJXGI-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO CCN(Cc1occc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052504764 521469768 /nfs/dbraw/zinc/46/97/68/521469768.db2.gz LISQELUWSZXILS-ZDUSSCGKSA-N 1 3 268.401 2.634 10 0 CFAEHO C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346392 522059248 /nfs/dbraw/zinc/05/92/48/522059248.db2.gz ADVQEQXWYCVPGH-LSDHHAIUSA-N 1 3 282.815 2.539 10 0 CFAEHO CC[C@H]1CO[C@H](C)CN1CCCCC[NH2+]CC(C)C ZINC000052571158 523351851 /nfs/dbraw/zinc/35/18/51/523351851.db2.gz YRRWJCYLAONMKR-CVEARBPZSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@H](C)CN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181446 523868079 /nfs/dbraw/zinc/86/80/79/523868079.db2.gz CCKTWOFRBBSVFF-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[C@H](C)C[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181446 523868084 /nfs/dbraw/zinc/86/80/84/523868084.db2.gz CCKTWOFRBBSVFF-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[C@H](C)C[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181446 523868088 /nfs/dbraw/zinc/86/80/88/523868088.db2.gz CCKTWOFRBBSVFF-HNNXBMFYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[C@H](C)N1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000055063342 523960516 /nfs/dbraw/zinc/96/05/16/523960516.db2.gz WPSZWJOGSTUIFJ-LBPRGKRZSA-N 1 3 281.831 2.719 10 0 CFAEHO C[C@@H]1CCC[N@@H+]1CCOc1ccccc1CNC1CC1 ZINC000052375851 524262172 /nfs/dbraw/zinc/26/21/72/524262172.db2.gz NAIKEBCKOHVXHV-CQSZACIVSA-N 1 3 274.408 2.802 10 0 CFAEHO C[C@@H]1CCC[N@H+]1CCOc1ccccc1CNC1CC1 ZINC000052375851 524262178 /nfs/dbraw/zinc/26/21/78/524262178.db2.gz NAIKEBCKOHVXHV-CQSZACIVSA-N 1 3 274.408 2.802 10 0 CFAEHO C[C@@H](CC(N)=[NH2+])N1CCC(Cc2ccccc2)CC1 ZINC000048249982 524341188 /nfs/dbraw/zinc/34/11/88/524341188.db2.gz YIGKEXPWUBJKGK-ZDUSSCGKSA-N 1 3 259.397 2.656 10 0 CFAEHO C[C@H]1CN([C@@H]2CCCc3sccc32)CC[C@@H]1[NH3+] ZINC000061363731 524664190 /nfs/dbraw/zinc/66/41/90/524664190.db2.gz XARAKQYCZGBIIH-WCFLWFBJSA-N 1 3 250.411 2.795 10 0 CFAEHO C[C@@H](Cc1ccco1)NCC[C@@H]([NH3+])c1ccccc1 ZINC000049147238 524928952 /nfs/dbraw/zinc/92/89/52/524928952.db2.gz KGHNWBNNPPRBQC-XJKSGUPXSA-N 1 3 258.365 2.890 10 0 CFAEHO C[NH2+][C@@H](C)c1ccccc1N1CCN(C(C)(C)C)CC1 ZINC000048945755 536350832 /nfs/dbraw/zinc/35/08/32/536350832.db2.gz DSPDMHWMNVZELF-AWEZNQCLSA-N 1 3 275.440 2.888 10 0 CFAEHO c1csc([C@@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000178979802 618280071 /nfs/dbraw/zinc/28/00/71/618280071.db2.gz NAQAITWTXZWUAF-ZDUSSCGKSA-N 1 3 265.426 2.670 10 0 CFAEHO CC[NH2+]Cc1sc(CCN(C)C)nc1C(C)(C)C ZINC000082440816 178019198 /nfs/dbraw/zinc/01/91/98/178019198.db2.gz TWUOFGKWAIJIEQ-UHFFFAOYSA-N 1 3 269.458 2.654 10 0 CFAEHO CCc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000124596376 187144780 /nfs/dbraw/zinc/14/47/80/187144780.db2.gz HWTUWWGGVCHVGA-AWEZNQCLSA-N 1 3 269.392 2.938 10 0 CFAEHO CN1CCC2(CC1)C[C@H]([NH3+])c1cc(Cl)ccc1O2 ZINC000082509375 178076224 /nfs/dbraw/zinc/07/62/24/178076224.db2.gz RZXUHGJGRZAIJR-LBPRGKRZSA-N 1 3 266.772 2.587 10 0 CFAEHO CN1CCC[C@@](CN)([N@@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086819672 179348595 /nfs/dbraw/zinc/34/85/95/179348595.db2.gz QJWPXOXESSRAKD-FUHWJXTLSA-N 1 3 295.515 2.948 10 0 CFAEHO CN1CCC[C@@](CN)([N@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000086819672 179348598 /nfs/dbraw/zinc/34/85/98/179348598.db2.gz QJWPXOXESSRAKD-FUHWJXTLSA-N 1 3 295.515 2.948 10 0 CFAEHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)CC2)c(OC)c1 ZINC000086817571 179346161 /nfs/dbraw/zinc/34/61/61/179346161.db2.gz DXGVOERDBDRIPF-UONOGXRCSA-N 1 3 292.423 2.839 10 0 CFAEHO CCN1CCC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844301 179355682 /nfs/dbraw/zinc/35/56/82/179355682.db2.gz LFRYZYZIPXTCFE-MRXNPFEDSA-N 1 3 282.378 2.971 10 0 CFAEHO CC[N@@H+]1CCC[C@@H](NCCc2cc(F)cc(F)c2)CC1 ZINC000086844301 179355684 /nfs/dbraw/zinc/35/56/84/179355684.db2.gz LFRYZYZIPXTCFE-MRXNPFEDSA-N 1 3 282.378 2.971 10 0 CFAEHO CC[N@H+]1CCC[C@@H](NCCc2cc(F)cc(F)c2)CC1 ZINC000086844301 179355685 /nfs/dbraw/zinc/35/56/85/179355685.db2.gz LFRYZYZIPXTCFE-MRXNPFEDSA-N 1 3 282.378 2.971 10 0 CFAEHO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CCN(C)C ZINC000104204116 185929774 /nfs/dbraw/zinc/92/97/74/185929774.db2.gz UMFXEYUEPCJCDR-GWCFXTLKSA-N 1 3 289.876 2.673 10 0 CFAEHO C[NH+](C)CCCN1c2ccncc2CCc2cnccc21 ZINC000584638674 348699820 /nfs/dbraw/zinc/69/98/20/348699820.db2.gz FADYJBNNXTUBHM-UHFFFAOYSA-N 1 3 282.391 2.665 10 0 CFAEHO NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000381724170 540699559 /nfs/dbraw/zinc/69/95/59/540699559.db2.gz RXOAPRDPXCTEMP-MJBXVCDLSA-N 1 3 272.383 2.873 10 0 CFAEHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000381724170 540699561 /nfs/dbraw/zinc/69/95/61/540699561.db2.gz RXOAPRDPXCTEMP-MJBXVCDLSA-N 1 3 272.383 2.873 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000400649288 299380955 /nfs/dbraw/zinc/38/09/55/299380955.db2.gz PPDBWGQPEPPETD-NNYUYHANSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000400649288 299380957 /nfs/dbraw/zinc/38/09/57/299380957.db2.gz PPDBWGQPEPPETD-NNYUYHANSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H](Cc1ccc(F)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388306506 382605538 /nfs/dbraw/zinc/60/55/38/382605538.db2.gz BMKCYRXUXDIZMY-XJKCOSOUSA-N 1 3 264.388 2.673 10 0 CFAEHO COc1cc(Br)ccc1[C@H](N)CCCC[NH3+] ZINC000575439981 382771833 /nfs/dbraw/zinc/77/18/33/382771833.db2.gz QBDLWWBRBYTYOB-LLVKDONJSA-N 1 3 287.201 2.587 10 0 CFAEHO CN(Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000231459770 382864744 /nfs/dbraw/zinc/86/47/44/382864744.db2.gz LOYGTXHHTMSVAL-OAHLLOKOSA-N 1 3 269.392 2.809 10 0 CFAEHO C[C@@H]1C[C@@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423097659 383042482 /nfs/dbraw/zinc/04/24/82/383042482.db2.gz JOVJYQFAHWNSQU-RAZVHJQOSA-N 1 3 274.408 2.924 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067050 383139094 /nfs/dbraw/zinc/13/90/94/383139094.db2.gz IJLGXYBFSXVCNN-KBAYOESNSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067050 383139099 /nfs/dbraw/zinc/13/90/99/383139099.db2.gz IJLGXYBFSXVCNN-KBAYOESNSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCCNC1 ZINC000643454432 384635717 /nfs/dbraw/zinc/63/57/17/384635717.db2.gz RMSGXNGKHOJTBW-KBPBESRZSA-N 1 3 271.408 2.688 10 0 CFAEHO C[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000312013108 393520989 /nfs/dbraw/zinc/52/09/89/393520989.db2.gz SJLOAQXVUMPXBH-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@@]1(C)CN ZINC000312013108 393520995 /nfs/dbraw/zinc/52/09/95/393520995.db2.gz SJLOAQXVUMPXBH-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@@]1(C)CN ZINC000312013108 393520998 /nfs/dbraw/zinc/52/09/98/393520998.db2.gz SJLOAQXVUMPXBH-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000044531763 393564645 /nfs/dbraw/zinc/56/46/45/393564645.db2.gz ODMIQRPBBWQNBF-ZDUSSCGKSA-N 1 3 255.365 2.718 10 0 CFAEHO Cc1cc(NCCC2(C[NH3+])CC2)c2ccccc2n1 ZINC000395856117 397554169 /nfs/dbraw/zinc/55/41/69/397554169.db2.gz PBLQHRFGIHSHDC-UHFFFAOYSA-N 1 3 255.365 2.506 10 0 CFAEHO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c2ccccc2n1 ZINC000235972671 397626664 /nfs/dbraw/zinc/62/66/64/397626664.db2.gz WHMQJQCNHVUGSY-INIZCTEOSA-N 1 3 255.365 2.718 10 0 CFAEHO Cc1ccc([C@]2(C)CCN(C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000261931480 292281096 /nfs/dbraw/zinc/28/10/96/292281096.db2.gz CVXOPCVCWUPVSI-QZTJIDSGSA-N 1 3 272.436 2.958 10 0 CFAEHO [NH3+]Cc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000022165865 171365865 /nfs/dbraw/zinc/36/58/65/171365865.db2.gz DQMPQFCWCAYOOP-UHFFFAOYSA-N 1 3 252.361 2.704 10 0 CFAEHO CC[NH2+][C@@H](C)c1cc(C)ccc1OCCN(C)C ZINC000035629774 172310661 /nfs/dbraw/zinc/31/06/61/172310661.db2.gz RUZCBFPMZJSELE-ZDUSSCGKSA-N 1 3 250.386 2.606 10 0 CFAEHO Cc1ccc(C[N@@H+](C)[C@]2(CN)CCCC[C@@H]2C)o1 ZINC000035699542 172368475 /nfs/dbraw/zinc/36/84/75/172368475.db2.gz ADCJRPSEWGUMFA-WFASDCNBSA-N 1 3 250.386 2.927 10 0 CFAEHO Cc1ccc(C[N@H+](C)[C@]2(CN)CCCC[C@@H]2C)o1 ZINC000035699542 172368477 /nfs/dbraw/zinc/36/84/77/172368477.db2.gz ADCJRPSEWGUMFA-WFASDCNBSA-N 1 3 250.386 2.927 10 0 CFAEHO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622475 174354499 /nfs/dbraw/zinc/35/44/99/174354499.db2.gz BWUHNPYTBQLFAP-UONOGXRCSA-N 1 3 256.434 2.510 10 0 CFAEHO CCOC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2CN)CC1 ZINC000040678511 174374914 /nfs/dbraw/zinc/37/49/14/174374914.db2.gz UUSFCOUZMJXTGH-IIAWOOMASA-N 1 3 268.445 2.641 10 0 CFAEHO CCOc1ccc([C@@H](C)[NH3+])cc1CN1CC[C@@H](C)C1 ZINC000040718123 174384941 /nfs/dbraw/zinc/38/49/41/174384941.db2.gz WTUUWGRFCMQQBZ-CHWSQXEVSA-N 1 3 262.397 2.947 10 0 CFAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2cccnc21 ZINC000040750374 174394721 /nfs/dbraw/zinc/39/47/21/174394721.db2.gz XTLIJIVDGKUJAG-MQVJKMGUSA-N 1 3 267.376 2.689 10 0 CFAEHO Cc1cc(C)cc([C@H](C[NH3+])N2CCN(C(C)(C)C)CC2)c1 ZINC000043394360 175034737 /nfs/dbraw/zinc/03/47/37/175034737.db2.gz OTVLNIKHGSTXPZ-KRWDZBQOSA-N 1 3 289.467 2.719 10 0 CFAEHO CCCN1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2C)CC1 ZINC000043805341 175107446 /nfs/dbraw/zinc/10/74/46/175107446.db2.gz LMIPSRGEADRWOX-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO CCCN1CCN([C@H]2CCCCCC[C@H]2[NH2+]CC)CC1 ZINC000043805505 175107537 /nfs/dbraw/zinc/10/75/37/175107537.db2.gz SBNUOHQXOZFCEN-SJORKVTESA-N 1 3 281.488 2.715 10 0 CFAEHO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CCC)CC1 ZINC000043805614 175107775 /nfs/dbraw/zinc/10/77/75/175107775.db2.gz HPVDIMYXRWTQRE-IRXDYDNUSA-N 1 3 281.488 2.715 10 0 CFAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815227 175111918 /nfs/dbraw/zinc/11/19/18/175111918.db2.gz JCBWBCVVVFQIRG-CRAIPNDOSA-N 1 3 289.467 2.670 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815358 175112252 /nfs/dbraw/zinc/11/22/52/175112252.db2.gz NHMICOKJDSUMMS-JKSUJKDBSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815303 175112648 /nfs/dbraw/zinc/11/26/48/175112648.db2.gz FCILCAZJHYYHHT-YJBOKZPZSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C(C)C)cc1 ZINC000043818225 175112783 /nfs/dbraw/zinc/11/27/83/175112783.db2.gz JWROMHQSFLWJSE-SFHVURJKSA-N 1 3 289.467 2.708 10 0 CFAEHO CCC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)cc1 ZINC000043818504 175113084 /nfs/dbraw/zinc/11/30/84/175113084.db2.gz AXSKLZUKWDKXBF-SFHVURJKSA-N 1 3 289.467 2.673 10 0 CFAEHO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCCN(C)CC1 ZINC000043818407 175113101 /nfs/dbraw/zinc/11/31/01/175113101.db2.gz AJNVEHSOZKPVDA-AEFFLSMTSA-N 1 3 289.467 2.672 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CCCN(C)CC1 ZINC000043818133 175113274 /nfs/dbraw/zinc/11/32/74/175113274.db2.gz IUQCLWATYRSMIW-MSOLQXFVSA-N 1 3 289.467 2.609 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043897108 175119737 /nfs/dbraw/zinc/11/97/37/175119737.db2.gz MCBCPKOYNKXNPN-HZPDHXFCSA-N 1 3 269.477 2.569 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897188 175120175 /nfs/dbraw/zinc/12/01/75/175120175.db2.gz FZQQCRKVUGTCJA-SQNIBIBYSA-N 1 3 295.515 2.959 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965628 175127132 /nfs/dbraw/zinc/12/71/32/175127132.db2.gz ZFQUVIIQEDVJOB-JKSUJKDBSA-N 1 3 283.504 2.959 10 0 CFAEHO CC[NH2+][C@H](CN(CCN(C)C)CC(C)C)c1ccccc1 ZINC000043982154 175134013 /nfs/dbraw/zinc/13/40/13/175134013.db2.gz ZZLXPYHMUIUCJD-GOSISDBHSA-N 1 3 291.483 2.857 10 0 CFAEHO C[C@H](c1ccc2c(c1)OCCCO2)N1CCC(C[NH3+])CC1 ZINC000044512059 175188346 /nfs/dbraw/zinc/18/83/46/175188346.db2.gz NQGAGIZDBCEFET-CYBMUJFWSA-N 1 3 290.407 2.580 10 0 CFAEHO NC[C@@H]1CCC[N@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529786 175194095 /nfs/dbraw/zinc/19/40/95/175194095.db2.gz QLAVGNQVKKVVDS-SIGVMEELSA-N 1 3 262.441 2.874 10 0 CFAEHO NC[C@@H]1CCC[N@@H+](CC23CC4CC(CC(C4)C2)C3)C1 ZINC000044529786 175194096 /nfs/dbraw/zinc/19/40/96/175194096.db2.gz QLAVGNQVKKVVDS-SIGVMEELSA-N 1 3 262.441 2.874 10 0 CFAEHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534769 175197707 /nfs/dbraw/zinc/19/77/07/175197707.db2.gz ICRDGHJDJTXDCU-CJNGLKHVSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534769 175197709 /nfs/dbraw/zinc/19/77/09/175197709.db2.gz ICRDGHJDJTXDCU-CJNGLKHVSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534767 175197735 /nfs/dbraw/zinc/19/77/35/175197735.db2.gz ICRDGHJDJTXDCU-XJKSGUPXSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534767 175197737 /nfs/dbraw/zinc/19/77/37/175197737.db2.gz ICRDGHJDJTXDCU-XJKSGUPXSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(O)cc1 ZINC000044534765 175197991 /nfs/dbraw/zinc/19/79/91/175197991.db2.gz ICRDGHJDJTXDCU-BBRMVZONSA-N 1 3 262.397 2.775 10 0 CFAEHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(O)cc1 ZINC000044534765 175197993 /nfs/dbraw/zinc/19/79/93/175197993.db2.gz ICRDGHJDJTXDCU-BBRMVZONSA-N 1 3 262.397 2.775 10 0 CFAEHO Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000044558408 175203163 /nfs/dbraw/zinc/20/31/63/175203163.db2.gz ZBICDRKUWRANIQ-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO Cc1cc(C)cc(OCCC[N@H+]2CCCC[C@@H]2CN)c1 ZINC000044558408 175203165 /nfs/dbraw/zinc/20/31/65/175203165.db2.gz ZBICDRKUWRANIQ-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO COc1ccc(OC)c(CNCCCC[N@H+](C)C(C)C)c1 ZINC000044573220 175210182 /nfs/dbraw/zinc/21/01/82/175210182.db2.gz CROAZWKLBXFPBZ-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO COc1ccc(OC)c(CNCCCC[N@@H+](C)C(C)C)c1 ZINC000044573220 175210184 /nfs/dbraw/zinc/21/01/84/175210184.db2.gz CROAZWKLBXFPBZ-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO C[NH2+]C[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000071148181 176044263 /nfs/dbraw/zinc/04/42/63/176044263.db2.gz WKWIDBBNZPRUMA-ZDUSSCGKSA-N 1 3 255.365 2.589 10 0 CFAEHO C[C@@H](N(C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267918 176101506 /nfs/dbraw/zinc/10/15/06/176101506.db2.gz CVNZWKJMONMOIW-SNVBAGLBSA-N 1 3 265.376 2.976 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515582 265183426 /nfs/dbraw/zinc/18/34/26/265183426.db2.gz YVZMIHPVCSDYSD-IXDOHACOSA-N 1 3 283.504 2.863 10 0 CFAEHO CC(C)[NH+]1CCC(N2CCN([C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000334357920 275940640 /nfs/dbraw/zinc/94/06/40/275940640.db2.gz RFMSVCAHNMIKMN-AEFFLSMTSA-N 1 3 293.499 2.665 10 0 CFAEHO C[NH2+]CC1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000053664124 277265078 /nfs/dbraw/zinc/26/50/78/277265078.db2.gz RGFVGBLLEGTIKF-UHFFFAOYSA-N 1 3 269.392 2.979 10 0 CFAEHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000515828750 281298087 /nfs/dbraw/zinc/29/80/87/281298087.db2.gz HXFFFWNQLLHEES-YIYPIFLZSA-N 1 3 256.459 2.638 10 0 CFAEHO Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000560966646 282044632 /nfs/dbraw/zinc/04/46/32/282044632.db2.gz CLWMFGYZAIJRLQ-ZFWWWQNUSA-N 1 3 264.388 2.654 10 0 CFAEHO Cc1cc(F)ccc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000560966646 282044633 /nfs/dbraw/zinc/04/46/33/282044633.db2.gz CLWMFGYZAIJRLQ-ZFWWWQNUSA-N 1 3 264.388 2.654 10 0 CFAEHO CN(C)[C@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185252 289394515 /nfs/dbraw/zinc/39/45/15/289394515.db2.gz DWAJOFSBZPKAOW-HOTGVXAUSA-N 1 3 280.456 2.798 10 0 CFAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)[C@H]1CCCCO1 ZINC000262003830 289728741 /nfs/dbraw/zinc/72/87/41/289728741.db2.gz QRPLXKAECWTDDN-LVQVYYBASA-N 1 3 268.445 2.844 10 0 CFAEHO CCCN1CCN(CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052421995 519857564 /nfs/dbraw/zinc/85/75/64/519857564.db2.gz NDPOGSSZPMGMQW-UHFFFAOYSA-N 1 3 269.477 2.572 10 0 CFAEHO CC(C)N1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815781 519686760 /nfs/dbraw/zinc/68/67/60/519686760.db2.gz JMPVLHHFSKQKQS-INIZCTEOSA-N 1 3 276.424 2.775 10 0 CFAEHO CC(C)C[NH2+]CC[C@H](C)N(CCN(C)C)CC(C)C ZINC000052503428 519744038 /nfs/dbraw/zinc/74/40/38/519744038.db2.gz UCQOZYGZKZKAIT-INIZCTEOSA-N 1 3 271.493 2.530 10 0 CFAEHO CC(C)C[NH2+]Cc1ccccc1OCCN(C)C1CC1 ZINC000052445374 519747781 /nfs/dbraw/zinc/74/77/81/519747781.db2.gz LGXYRMZBEFYSNS-UHFFFAOYSA-N 1 3 276.424 2.905 10 0 CFAEHO CCCN1CCN(Cc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC000052422002 519859297 /nfs/dbraw/zinc/85/92/97/519859297.db2.gz PINIYXDPPUBOIE-UHFFFAOYSA-N 1 3 289.467 2.712 10 0 CFAEHO CCC[NH2+]CC1(CN(CCC)CCN(C)C)CCCC1 ZINC000051254277 519910366 /nfs/dbraw/zinc/91/03/66/519910366.db2.gz ZJNWALCPMHAJGJ-UHFFFAOYSA-N 1 3 283.504 2.820 10 0 CFAEHO CC[NH2+]CCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443423 519919209 /nfs/dbraw/zinc/91/92/09/519919209.db2.gz KSRNXEOCOBFVFW-UHFFFAOYSA-N 1 3 295.858 2.852 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425389 519936415 /nfs/dbraw/zinc/93/64/15/519936415.db2.gz NNDPXDNPKUBUEW-SJORKVTESA-N 1 3 294.414 2.805 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2ccc(F)cc2)O1 ZINC000052346229 519936628 /nfs/dbraw/zinc/93/66/28/519936628.db2.gz COXPNTXOVUCHOV-SJORKVTESA-N 1 3 294.414 2.805 10 0 CFAEHO CC[N@H+](CC1(CNC)CCOCC1)C1CCCCC1 ZINC000052180530 520937053 /nfs/dbraw/zinc/93/70/53/520937053.db2.gz ASQUYNDZVXRZOJ-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[N@@H+](CC1(CNC)CCOCC1)C1CCCCC1 ZINC000052180530 520937057 /nfs/dbraw/zinc/93/70/57/520937057.db2.gz ASQUYNDZVXRZOJ-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCN(CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000069239940 520957766 /nfs/dbraw/zinc/95/77/66/520957766.db2.gz CTMIWYJLVHVLQJ-KRWDZBQOSA-N 1 3 282.472 2.761 10 0 CFAEHO CCC(C)(C)[N@H+](C)CCOc1ccccc1CN ZINC000069429382 521300743 /nfs/dbraw/zinc/30/07/43/521300743.db2.gz JHRLCJCXZVMTRE-UHFFFAOYSA-N 1 3 250.386 2.645 10 0 CFAEHO CCC(C)(C)[N@@H+](C)CCOc1ccccc1CN ZINC000069429382 521300754 /nfs/dbraw/zinc/30/07/54/521300754.db2.gz JHRLCJCXZVMTRE-UHFFFAOYSA-N 1 3 250.386 2.645 10 0 CFAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1ccccc1CC ZINC000052203909 521657920 /nfs/dbraw/zinc/65/79/20/521657920.db2.gz QGXVJQABMOZWDC-QGZVFWFLSA-N 1 3 277.456 2.522 10 0 CFAEHO CN(C)Cc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050944089 521927698 /nfs/dbraw/zinc/92/76/98/521927698.db2.gz TYBWYWFDJNMGDT-HNNXBMFYSA-N 1 3 289.423 2.609 10 0 CFAEHO C[NH2+]Cc1c2ccccc2oc1CN1CCC(OC)CC1 ZINC000052455364 522099523 /nfs/dbraw/zinc/09/95/23/522099523.db2.gz COURDKWTFYXXOF-UHFFFAOYSA-N 1 3 288.391 2.763 10 0 CFAEHO CNCc1occc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373079 522164674 /nfs/dbraw/zinc/16/46/74/522164674.db2.gz WJARODYRFMNMQU-OAHLLOKOSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1occc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373079 522164680 /nfs/dbraw/zinc/16/46/80/522164680.db2.gz WJARODYRFMNMQU-OAHLLOKOSA-N 1 3 270.376 2.989 10 0 CFAEHO C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1CN(C)CC1CC1 ZINC000054560070 522398427 /nfs/dbraw/zinc/39/84/27/522398427.db2.gz BPHAFNXYRJPVIN-HRCADAONSA-N 1 3 252.446 2.989 10 0 CFAEHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553199 522687981 /nfs/dbraw/zinc/68/79/81/522687981.db2.gz XHLDYRQEHASZMF-WFASDCNBSA-N 1 3 250.386 2.773 10 0 CFAEHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(O)cc1 ZINC000049553202 522932656 /nfs/dbraw/zinc/93/26/56/522932656.db2.gz XHLDYRQEHASZMF-IUODEOHRSA-N 1 3 250.386 2.773 10 0 CFAEHO CC[C@@H]1CCC[N@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052181829 523251229 /nfs/dbraw/zinc/25/12/29/523251229.db2.gz RVFXWDWBLGNTKC-OAHLLOKOSA-N 1 3 280.456 2.657 10 0 CFAEHO CC[C@@H]1CCC[N@@H+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052181829 523251234 /nfs/dbraw/zinc/25/12/34/523251234.db2.gz RVFXWDWBLGNTKC-OAHLLOKOSA-N 1 3 280.456 2.657 10 0 CFAEHO CN1CCC([N@@H+]2CC(C)(C)NC[C@H]2c2ccccc2)CC1 ZINC000062704301 523768010 /nfs/dbraw/zinc/76/80/10/523768010.db2.gz KCNIPIDVZYYRED-KRWDZBQOSA-N 1 3 287.451 2.506 10 0 CFAEHO CN1CCC([N@H+]2CC(C)(C)NC[C@H]2c2ccccc2)CC1 ZINC000062704301 523768014 /nfs/dbraw/zinc/76/80/14/523768014.db2.gz KCNIPIDVZYYRED-KRWDZBQOSA-N 1 3 287.451 2.506 10 0 CFAEHO COCCN([C@@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000052545477 523781740 /nfs/dbraw/zinc/78/17/40/523781740.db2.gz RZHVWBZSHIRODO-KBPBESRZSA-N 1 3 270.461 2.900 10 0 CFAEHO C[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328119 523962913 /nfs/dbraw/zinc/96/29/13/523962913.db2.gz ZXEUQNNOTLSSPJ-WCQYABFASA-N 1 3 250.411 2.667 10 0 CFAEHO C[N@H+]1CC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328119 523962920 /nfs/dbraw/zinc/96/29/20/523962920.db2.gz ZXEUQNNOTLSSPJ-WCQYABFASA-N 1 3 250.411 2.667 10 0 CFAEHO C[N@@H+]1CC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328116 523982685 /nfs/dbraw/zinc/98/26/85/523982685.db2.gz ZXEUQNNOTLSSPJ-DGCLKSJQSA-N 1 3 250.411 2.667 10 0 CFAEHO C[N@H+]1CC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328116 523982686 /nfs/dbraw/zinc/98/26/86/523982686.db2.gz ZXEUQNNOTLSSPJ-DGCLKSJQSA-N 1 3 250.411 2.667 10 0 CFAEHO C[NH+](C)CCCOCc1cc(CNC(C)(C)C)co1 ZINC000052672548 524058331 /nfs/dbraw/zinc/05/83/31/524058331.db2.gz XOWALIHSVNWQTK-UHFFFAOYSA-N 1 3 268.401 2.636 10 0 CFAEHO Cc1cc(C)c(CNCC(C)C)c(OCCC[NH+](C)C)n1 ZINC000051549301 524269783 /nfs/dbraw/zinc/26/97/83/524269783.db2.gz HJQVWWQNGZKKPU-UHFFFAOYSA-N 1 3 293.455 2.775 10 0 CFAEHO C[C@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCCc2sccc21 ZINC000061363762 524785271 /nfs/dbraw/zinc/78/52/71/524785271.db2.gz DNBQVSOZIQPMKP-GMXVVIOVSA-N 1 3 250.411 2.937 10 0 CFAEHO Cc1oc(CNC(C)C)cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484667 526774833 /nfs/dbraw/zinc/77/48/33/526774833.db2.gz HVKYIMHLLGAGPF-GFCCVEGCSA-N 1 3 250.386 2.928 10 0 CFAEHO Cc1oc(CNC(C)C)cc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484667 526774840 /nfs/dbraw/zinc/77/48/40/526774840.db2.gz HVKYIMHLLGAGPF-GFCCVEGCSA-N 1 3 250.386 2.928 10 0 CFAEHO NCc1ccoc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373076 527261934 /nfs/dbraw/zinc/26/19/34/527261934.db2.gz IWVWCWJWEMTFPF-OAHLLOKOSA-N 1 3 256.349 2.728 10 0 CFAEHO NCc1ccoc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052373076 527261941 /nfs/dbraw/zinc/26/19/41/527261941.db2.gz IWVWCWJWEMTFPF-OAHLLOKOSA-N 1 3 256.349 2.728 10 0 CFAEHO CN(C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466985 545499741 /nfs/dbraw/zinc/49/97/41/545499741.db2.gz YOKDBQMJUITVJA-HUUCEWRRSA-N 1 3 266.429 2.552 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3coc4ccccc34)C[C@@H]12 ZINC000261576895 618107515 /nfs/dbraw/zinc/10/75/15/618107515.db2.gz CJZDMZRBWMBEBS-KCPJHIHWSA-N 1 3 256.349 2.602 10 0 CFAEHO C[C@@H]1CCN(c2ccnc3ccccc32)C[C@H]1C[NH3+] ZINC000253194434 619018456 /nfs/dbraw/zinc/01/84/56/619018456.db2.gz PZATYLQAHPERHS-CHWSQXEVSA-N 1 3 255.365 2.656 10 0 CFAEHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149289 623588059 /nfs/dbraw/zinc/58/80/59/623588059.db2.gz LKZRJHMUQJMRHK-WNYYMSAVSA-N 1 3 264.335 2.825 10 0 CFAEHO CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(F)cc21 ZINC000082509366 178076292 /nfs/dbraw/zinc/07/62/92/178076292.db2.gz ANJJBJNXPSRSJD-AWEZNQCLSA-N 1 3 278.371 2.723 10 0 CFAEHO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)CC2)c(OC)c1 ZINC000086817573 179345811 /nfs/dbraw/zinc/34/58/11/179345811.db2.gz DXGVOERDBDRIPF-KBPBESRZSA-N 1 3 292.423 2.839 10 0 CFAEHO CCN1CCC[C@@](CN)([N@H+](C)C2CCCCCC2)CC1 ZINC000086847299 179356021 /nfs/dbraw/zinc/35/60/21/179356021.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@@](CN)([N@@H+](C)C2CCCCCC2)CC1 ZINC000086847299 179356025 /nfs/dbraw/zinc/35/60/25/179356025.db2.gz QLAVZUQGYMKLJP-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000086844298 179355574 /nfs/dbraw/zinc/35/55/74/179355574.db2.gz LFRYZYZIPXTCFE-INIZCTEOSA-N 1 3 282.378 2.971 10 0 CFAEHO CC[N@@H+]1CCC[C@H](NCCc2cc(F)cc(F)c2)CC1 ZINC000086844298 179355576 /nfs/dbraw/zinc/35/55/76/179355576.db2.gz LFRYZYZIPXTCFE-INIZCTEOSA-N 1 3 282.378 2.971 10 0 CFAEHO CC[N@H+]1CCC[C@H](NCCc2cc(F)cc(F)c2)CC1 ZINC000086844298 179355578 /nfs/dbraw/zinc/35/55/78/179355578.db2.gz LFRYZYZIPXTCFE-INIZCTEOSA-N 1 3 282.378 2.971 10 0 CFAEHO c1cc2c(s1)Nc1ccccc1C(N1CCNCC1)=[NH+]2 ZINC000584615769 348690799 /nfs/dbraw/zinc/69/07/99/348690799.db2.gz SKNBAYJQGLXLSB-UHFFFAOYSA-N 1 3 284.388 2.789 10 0 CFAEHO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000630565882 355113807 /nfs/dbraw/zinc/11/38/07/355113807.db2.gz BENSMXCJXUZDQN-AAEUAGOBSA-N 1 3 255.365 2.574 10 0 CFAEHO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000630565885 355113846 /nfs/dbraw/zinc/11/38/46/355113846.db2.gz BENSMXCJXUZDQN-YPMHNXCESA-N 1 3 255.365 2.574 10 0 CFAEHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1OC ZINC000180892185 189282176 /nfs/dbraw/zinc/28/21/76/189282176.db2.gz PJRAOTUMQZWAHZ-DZGCQCFKSA-N 1 3 292.423 2.839 10 0 CFAEHO C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C1CNC1 ZINC000422981130 299342737 /nfs/dbraw/zinc/34/27/37/299342737.db2.gz NIQYCANPEGDONU-HOGDBLQHSA-N 1 3 262.441 2.789 10 0 CFAEHO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCCC1 ZINC000085636254 374801759 /nfs/dbraw/zinc/80/17/59/374801759.db2.gz XKKFLGRQKSGXDM-JONQDZQNSA-N 1 3 280.456 2.512 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998831 383455943 /nfs/dbraw/zinc/45/59/43/383455943.db2.gz LOXUEKNRVGXXEP-AAEUAGOBSA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634998831 383455947 /nfs/dbraw/zinc/45/59/47/383455947.db2.gz LOXUEKNRVGXXEP-AAEUAGOBSA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634998831 383455952 /nfs/dbraw/zinc/45/59/52/383455952.db2.gz LOXUEKNRVGXXEP-AAEUAGOBSA-N 1 3 258.365 2.768 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261568334 383514853 /nfs/dbraw/zinc/51/48/53/383514853.db2.gz KBKTVBFHYCIDNB-ZFWWWQNUSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261568334 383514859 /nfs/dbraw/zinc/51/48/59/383514859.db2.gz KBKTVBFHYCIDNB-ZFWWWQNUSA-N 1 3 264.388 2.688 10 0 CFAEHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261568334 383514863 /nfs/dbraw/zinc/51/48/63/383514863.db2.gz KBKTVBFHYCIDNB-ZFWWWQNUSA-N 1 3 264.388 2.688 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624311 383531219 /nfs/dbraw/zinc/53/12/19/383531219.db2.gz VCLIHZFMZQPKPM-XBVQOTNRSA-N 1 3 256.393 2.733 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]12 ZINC000261624311 383531222 /nfs/dbraw/zinc/53/12/22/383531222.db2.gz VCLIHZFMZQPKPM-XBVQOTNRSA-N 1 3 256.393 2.733 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262031021 383597585 /nfs/dbraw/zinc/59/75/85/383597585.db2.gz XEYHEJZCSATHQB-KBAYOESNSA-N 1 3 286.419 2.645 10 0 CFAEHO CCN(Cc1ccc(C)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261764337 383555835 /nfs/dbraw/zinc/55/58/35/383555835.db2.gz DDZQWQSCJLQGAT-MRXNPFEDSA-N 1 3 276.424 2.968 10 0 CFAEHO COCC1(CNc2cc(C)nc3ccccc32)CC[NH2+]CC1 ZINC000262562966 383627789 /nfs/dbraw/zinc/62/77/89/383627789.db2.gz VWAFREAIQQHEQD-UHFFFAOYSA-N 1 3 299.418 2.971 10 0 CFAEHO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000572850222 383827795 /nfs/dbraw/zinc/82/77/95/383827795.db2.gz DQAXXJHONRNZRP-XNGJBWTFSA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@@H](NC1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572850222 383827802 /nfs/dbraw/zinc/82/78/02/383827802.db2.gz DQAXXJHONRNZRP-XNGJBWTFSA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCCNC1 ZINC000643481422 384657214 /nfs/dbraw/zinc/65/72/14/384657214.db2.gz IAIHRNBWKRAPSS-SEEUUAMPSA-N 1 3 288.435 2.712 10 0 CFAEHO C[C@@H](NC1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643481422 384657219 /nfs/dbraw/zinc/65/72/19/384657219.db2.gz IAIHRNBWKRAPSS-SEEUUAMPSA-N 1 3 288.435 2.712 10 0 CFAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2c(C)nn(CC)c2C)C1 ZINC000045171398 393569862 /nfs/dbraw/zinc/56/98/62/393569862.db2.gz ZOXGKNXTKBCFBQ-DOMZBBRYSA-N 1 3 278.444 2.512 10 0 CFAEHO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1C ZINC000045171435 393570087 /nfs/dbraw/zinc/57/00/87/393570087.db2.gz IBMUHBJZCRLPCM-WFASDCNBSA-N 1 3 290.455 2.655 10 0 CFAEHO c1ccc(N2CCN(CCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000043591735 134906159 /nfs/dbraw/zinc/90/61/59/134906159.db2.gz HURVGYBJJYXAEH-QGZVFWFLSA-N 1 3 287.451 2.588 10 0 CFAEHO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCN1 ZINC000400685305 287011090 /nfs/dbraw/zinc/01/10/90/287011090.db2.gz XXCSKWSWZYQURK-HBIQZDMRSA-N 1 3 264.335 2.838 10 0 CFAEHO CSCCC[NH2+]Cc1ccccc1CN(C)C ZINC000020128673 171015178 /nfs/dbraw/zinc/01/51/78/171015178.db2.gz KGMWHEUSLASZLP-UHFFFAOYSA-N 1 3 252.427 2.591 10 0 CFAEHO COC(C)(C)C[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000020524681 171237926 /nfs/dbraw/zinc/23/79/26/171237926.db2.gz SAOTXXQGNICKFK-OAHLLOKOSA-N 1 3 270.461 2.902 10 0 CFAEHO Clc1nc2ccccc2cc1CNCC1CC[NH2+]CC1 ZINC000020968490 171282981 /nfs/dbraw/zinc/28/29/81/171282981.db2.gz SQSURKJITWPDKY-UHFFFAOYSA-N 1 3 289.810 2.977 10 0 CFAEHO CC[N@H+](C1CCCCC1)C1(CN)CCN(C(C)C)CC1 ZINC000035176737 172029787 /nfs/dbraw/zinc/02/97/87/172029787.db2.gz SZTWRGXEECNWSZ-UHFFFAOYSA-N 1 3 281.488 2.843 10 0 CFAEHO CC[N@@H+](C1CCCCC1)C1(CN)CCN(C(C)C)CC1 ZINC000035176737 172029788 /nfs/dbraw/zinc/02/97/88/172029788.db2.gz SZTWRGXEECNWSZ-UHFFFAOYSA-N 1 3 281.488 2.843 10 0 CFAEHO CC[NH+](CC)CCC[C@@H](C)NCc1nccn1C(F)F ZINC000037302461 173108242 /nfs/dbraw/zinc/10/82/42/173108242.db2.gz OXXLGVILXINAPK-GFCCVEGCSA-N 1 3 288.386 2.878 10 0 CFAEHO CC(C)n1ccnc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318121 414506341 /nfs/dbraw/zinc/50/63/41/414506341.db2.gz WJVYECKRQFLCSY-HUUCEWRRSA-N 1 3 278.444 2.803 10 0 CFAEHO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCCN(C)C1 ZINC000040668685 174367747 /nfs/dbraw/zinc/36/77/47/174367747.db2.gz FWTZZAXRDBVBSW-XDNAFOTISA-N 1 3 295.515 2.817 10 0 CFAEHO CCCN(CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748689 174393639 /nfs/dbraw/zinc/39/36/39/174393639.db2.gz NBVXLKFXBLHZLH-SJPCQFCGSA-N 1 3 273.424 2.619 10 0 CFAEHO COc1cccc([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749108 174393709 /nfs/dbraw/zinc/39/37/09/174393709.db2.gz VFTMONQTVUMKHB-JZIBPQBNSA-N 1 3 260.381 2.710 10 0 CFAEHO COc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749081 174394106 /nfs/dbraw/zinc/39/41/06/174394106.db2.gz NCPFEXPSRCJTFL-JZIBPQBNSA-N 1 3 260.381 2.710 10 0 CFAEHO COc1ccc([C@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749080 174394151 /nfs/dbraw/zinc/39/41/51/174394151.db2.gz NCPFEXPSRCJTFL-PRTUASRFSA-N 1 3 260.381 2.710 10 0 CFAEHO Cc1cccc([C@H](C[NH3+])N2CCN(C(C)(C)C)CC2)c1C ZINC000043314842 175004603 /nfs/dbraw/zinc/00/46/03/175004603.db2.gz LVPXIRRWXYVJMF-KRWDZBQOSA-N 1 3 289.467 2.719 10 0 CFAEHO [NH3+]CCCCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428142 175041190 /nfs/dbraw/zinc/04/11/90/175041190.db2.gz RUZMEYBMIPJBAK-LSDHHAIUSA-N 1 3 254.418 2.539 10 0 CFAEHO CCCN1CCN([C@H](CC)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805401 175107866 /nfs/dbraw/zinc/10/78/66/175107866.db2.gz LGNXVLOQEKBUNP-MSOLQXFVSA-N 1 3 289.467 2.753 10 0 CFAEHO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(C)C1CCN(C)CC1 ZINC000043815255 175111855 /nfs/dbraw/zinc/11/18/55/175111855.db2.gz PNORISTVBCPOKO-QZTJIDSGSA-N 1 3 289.467 2.752 10 0 CFAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(CC)cc1 ZINC000043818443 175112862 /nfs/dbraw/zinc/11/28/62/175112862.db2.gz FHWNQQTXIXTTQY-SFHVURJKSA-N 1 3 289.467 2.537 10 0 CFAEHO CCC[NH2+][C@H](CC)[C@@H](C)N(CCN(C)C)CC(C)C ZINC000043982361 175134072 /nfs/dbraw/zinc/13/40/72/175134072.db2.gz QTUUFYWNYRGZAO-HZPDHXFCSA-N 1 3 271.493 2.673 10 0 CFAEHO CC[NH2+][C@H](CN(CCN(C)C)CC(C)C)C(C)(C)C ZINC000043982178 175134310 /nfs/dbraw/zinc/13/43/10/175134310.db2.gz UULZAZLPFQPIHE-OAHLLOKOSA-N 1 3 271.493 2.530 10 0 CFAEHO CC(C)C[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136121 175313335 /nfs/dbraw/zinc/31/33/35/175313335.db2.gz ORRYIGDBZDCKBB-KBPBESRZSA-N 1 3 283.485 2.824 10 0 CFAEHO CC(C)C[C@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136121 175313336 /nfs/dbraw/zinc/31/33/36/175313336.db2.gz ORRYIGDBZDCKBB-KBPBESRZSA-N 1 3 283.485 2.824 10 0 CFAEHO CC(C)C[C@@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=N1 ZINC000045136120 175313507 /nfs/dbraw/zinc/31/35/07/175313507.db2.gz ORRYIGDBZDCKBB-UONOGXRCSA-N 1 3 283.485 2.824 10 0 CFAEHO CC(C)C[C@@H]1CSC(NC[C@@H]2CC[N@H+](C(C)C)C2)=N1 ZINC000045136120 175313508 /nfs/dbraw/zinc/31/35/08/175313508.db2.gz ORRYIGDBZDCKBB-UONOGXRCSA-N 1 3 283.485 2.824 10 0 CFAEHO C[C@@H]1CN(CCC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000071401593 176153804 /nfs/dbraw/zinc/15/38/04/176153804.db2.gz HNTYXJCOFNBEDC-LZWOXQAQSA-N 1 3 262.397 2.576 10 0 CFAEHO COc1ccc(C[N@H+](CCN)C(C)(C)C)cc1Cl ZINC000076710791 177067827 /nfs/dbraw/zinc/06/78/27/177067827.db2.gz SLOAXPPBCSZVLF-UHFFFAOYSA-N 1 3 270.804 2.908 10 0 CFAEHO COc1ccc(C[N@@H+](CCN)C(C)(C)C)cc1Cl ZINC000076710791 177067828 /nfs/dbraw/zinc/06/78/28/177067828.db2.gz SLOAXPPBCSZVLF-UHFFFAOYSA-N 1 3 270.804 2.908 10 0 CFAEHO C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCCNC1 ZINC000521423700 262326207 /nfs/dbraw/zinc/32/62/07/262326207.db2.gz HNAVNVZLKWUCDX-SJLPKXTDSA-N 1 3 290.451 2.961 10 0 CFAEHO C[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@@H]1CCCCO1 ZINC000262023953 278277827 /nfs/dbraw/zinc/27/78/27/278277827.db2.gz YWTFGHZLDFZACL-SRMUXQRQSA-N 1 3 260.381 2.678 10 0 CFAEHO Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000560966643 282044527 /nfs/dbraw/zinc/04/45/27/282044527.db2.gz CLWMFGYZAIJRLQ-DZGCQCFKSA-N 1 3 264.388 2.654 10 0 CFAEHO Cc1cc(F)ccc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560966643 282044529 /nfs/dbraw/zinc/04/45/29/282044529.db2.gz CLWMFGYZAIJRLQ-DZGCQCFKSA-N 1 3 264.388 2.654 10 0 CFAEHO C[C@@H](NCCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089553 290347198 /nfs/dbraw/zinc/34/71/98/290347198.db2.gz OIPCLWDMJPSJDQ-KGLIPLIRSA-N 1 3 264.438 2.756 10 0 CFAEHO C[C@@H]([NH2+]CCSc1ccccc1)[C@H]1CCCNC1 ZINC000566089553 290347200 /nfs/dbraw/zinc/34/72/00/290347200.db2.gz OIPCLWDMJPSJDQ-KGLIPLIRSA-N 1 3 264.438 2.756 10 0 CFAEHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089149288 295273582 /nfs/dbraw/zinc/27/35/82/295273582.db2.gz LKZRJHMUQJMRHK-HBIQZDMRSA-N 1 3 264.335 2.825 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1CC2CCC1CC2 ZINC000382070316 324425129 /nfs/dbraw/zinc/42/51/29/324425129.db2.gz GZVHYEDOEUCFIQ-UHEATSNUSA-N 1 3 250.430 2.790 10 0 CFAEHO CC(C)N1CCN([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052480097 519682710 /nfs/dbraw/zinc/68/27/10/519682710.db2.gz YYAWDAVECQIPEG-HNNXBMFYSA-N 1 3 269.477 2.569 10 0 CFAEHO CC(C)C[NH2+]C[C@@H](C(C)C)N(CCN(C)C)CC(C)C ZINC000052503252 519744444 /nfs/dbraw/zinc/74/44/44/519744444.db2.gz DFSFUCONDBNWES-KRWDZBQOSA-N 1 3 285.520 2.776 10 0 CFAEHO CC(C)C[NH2+]Cc1coc(CN2CC[C@H](C)C2)c1 ZINC000052484547 519748556 /nfs/dbraw/zinc/74/85/56/519748556.db2.gz OBYUIPMHYGWXEL-ZDUSSCGKSA-N 1 3 250.386 2.867 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@@H](C)C2)CCOCC1 ZINC000052180796 519910324 /nfs/dbraw/zinc/91/03/24/519910324.db2.gz UDSMTIOBVKMSDG-OAHLLOKOSA-N 1 3 268.445 2.515 10 0 CFAEHO CCCCN(C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180918 520398123 /nfs/dbraw/zinc/39/81/23/520398123.db2.gz PQKKEHCPTXBDFX-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCS[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000233985442 521725595 /nfs/dbraw/zinc/72/55/95/521725595.db2.gz YSHOAHUACUNIFG-UONOGXRCSA-N 1 3 256.459 2.736 10 0 CFAEHO CCCN1CCN(CC2(C[NH2+]CC(C)C)CCCC2)CC1 ZINC000051207424 517582556 /nfs/dbraw/zinc/58/25/56/517582556.db2.gz UWGMGFFWNAKRRG-UHFFFAOYSA-N 1 3 295.515 2.820 10 0 CFAEHO CC(C)N(Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052180944 519658361 /nfs/dbraw/zinc/65/83/61/519658361.db2.gz OODGGYKGCUBGHH-UHFFFAOYSA-N 1 3 276.424 2.653 10 0 CFAEHO CC(C)N(Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183353 519661911 /nfs/dbraw/zinc/66/19/11/519661911.db2.gz NSKZOKXDHMUFEO-UHFFFAOYSA-N 1 3 282.453 2.714 10 0 CFAEHO CC(C)CCOCC[NH2+]CCCN1CCCC[C@H]1C ZINC000049265498 519668978 /nfs/dbraw/zinc/66/89/78/519668978.db2.gz YSHLRMBZPLJBOM-MRXNPFEDSA-N 1 3 270.461 2.903 10 0 CFAEHO CC(C)[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443310 519727727 /nfs/dbraw/zinc/72/77/27/519727727.db2.gz QQCYVQOIQNCYOQ-UHFFFAOYSA-N 1 3 264.438 2.733 10 0 CFAEHO CCCN1CCN([C@@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422103 519859504 /nfs/dbraw/zinc/85/95/04/519859504.db2.gz IVLKKXWQLDWTGM-SFHVURJKSA-N 1 3 289.467 2.753 10 0 CFAEHO CCCC1CC[NH+](CCCC[C@@](C)(NCC)C(N)=O)CC1 ZINC000050905940 519900794 /nfs/dbraw/zinc/90/07/94/519900794.db2.gz AHDTUXWBQANSOO-QGZVFWFLSA-N 1 3 297.487 2.522 10 0 CFAEHO CCCNCC1(C[N@H+](CC)CC(C)C)CCOCC1 ZINC000052181222 519910027 /nfs/dbraw/zinc/91/00/27/519910027.db2.gz DVFUKQHGKXRZDT-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@@H+](CC)CC(C)C)CCOCC1 ZINC000052181222 519910031 /nfs/dbraw/zinc/91/00/31/519910031.db2.gz DVFUKQHGKXRZDT-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC[NH2+]CC1(CN(CC)CC(C)C)CCOCC1 ZINC000052181222 519910034 /nfs/dbraw/zinc/91/00/34/519910034.db2.gz DVFUKQHGKXRZDT-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCNCC1(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182065 519912552 /nfs/dbraw/zinc/91/25/52/519912552.db2.gz FEGLKFPGPDFSTB-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CCNCC1(C[N@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182065 519912555 /nfs/dbraw/zinc/91/25/55/519912555.db2.gz FEGLKFPGPDFSTB-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CC[NH2+]CC1(CN2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182065 519912556 /nfs/dbraw/zinc/91/25/56/519912556.db2.gz FEGLKFPGPDFSTB-CABCVRRESA-N 1 3 268.445 2.513 10 0 CFAEHO CCC[NH2+]Cc1ccccc1CN1CCC(OC)CC1 ZINC000052455470 519955855 /nfs/dbraw/zinc/95/58/55/519955855.db2.gz UORRQTOCMBJTCL-UHFFFAOYSA-N 1 3 276.424 2.797 10 0 CFAEHO CC[NH2+]Cc1cc(CN2CCC(C)CC2)oc1C ZINC000052376947 519988859 /nfs/dbraw/zinc/98/88/59/519988859.db2.gz WBBCUXLAMVBNKS-UHFFFAOYSA-N 1 3 250.386 2.929 10 0 CFAEHO CCOc1cccc(CNC)c1OCCC[NH+]1CCCC1 ZINC000049331867 521360361 /nfs/dbraw/zinc/36/03/61/521360361.db2.gz PWFBDQQFPWJNBK-UHFFFAOYSA-N 1 3 292.423 2.669 10 0 CFAEHO CCC(CC)C[N@H+](CC)CC1(CNC)CCOCC1 ZINC000052182940 521520446 /nfs/dbraw/zinc/52/04/46/521520446.db2.gz WWKJMMRMQAQWJO-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC(CC)C[N@@H+](CC)CC1(CNC)CCOCC1 ZINC000052182940 521520455 /nfs/dbraw/zinc/52/04/55/521520455.db2.gz WWKJMMRMQAQWJO-UHFFFAOYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCC[N@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052181411 521618925 /nfs/dbraw/zinc/61/89/25/521618925.db2.gz JMSASZOXIHCVPS-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC[N@@H+](CC1(CNC2CC2)CCOCC1)C(C)C ZINC000052181411 521618926 /nfs/dbraw/zinc/61/89/26/521618926.db2.gz JMSASZOXIHCVPS-UHFFFAOYSA-N 1 3 268.445 2.656 10 0 CFAEHO CCCN(CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049311736 521668904 /nfs/dbraw/zinc/66/89/04/521668904.db2.gz AQEZPGSVLUDSQW-FUNVUKJBSA-N 1 3 294.361 2.560 10 0 CFAEHO COC1CCN(Cc2ccccc2C[NH2+]C(C)C)CC1 ZINC000052455471 522704904 /nfs/dbraw/zinc/70/49/04/522704904.db2.gz SQCYGWVYFZFBDM-UHFFFAOYSA-N 1 3 276.424 2.795 10 0 CFAEHO CC[C@H](C)[N@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181385 523934426 /nfs/dbraw/zinc/93/44/26/523934426.db2.gz BCDGJZVWMATTNH-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[C@H](C)[N@@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052181385 523934427 /nfs/dbraw/zinc/93/44/27/523934427.db2.gz BCDGJZVWMATTNH-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO Cc1cccc(N2CCN(CCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000052764235 524556156 /nfs/dbraw/zinc/55/61/56/524556156.db2.gz JIFXWIGTNMGTIY-QGZVFWFLSA-N 1 3 287.451 2.649 10 0 CFAEHO C[C@]1(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697417 618285446 /nfs/dbraw/zinc/28/54/46/618285446.db2.gz CAEUMVPNBPGADH-KURKYZTESA-N 1 3 288.435 2.574 10 0 CFAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCOc2ccccc21 ZINC000250854412 650980867 /nfs/dbraw/zinc/98/08/67/650980867.db2.gz OOCKYVGIIUAGEP-QEJZJMRPSA-N 1 3 260.381 2.617 10 0 CFAEHO NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234263 346315536 /nfs/dbraw/zinc/31/55/36/346315536.db2.gz KAXQIIGCHQPXCF-ROUUACIJSA-N 1 3 266.388 2.861 10 0 CFAEHO NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034234263 346315539 /nfs/dbraw/zinc/31/55/39/346315539.db2.gz KAXQIIGCHQPXCF-ROUUACIJSA-N 1 3 266.388 2.861 10 0 CFAEHO COc1cccc([C@H](C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818651 179347148 /nfs/dbraw/zinc/34/71/48/179347148.db2.gz RMUKWALHHZYZHG-ZFWWWQNUSA-N 1 3 262.397 2.830 10 0 CFAEHO COc1cccc([C@H](C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818651 179347151 /nfs/dbraw/zinc/34/71/51/179347151.db2.gz RMUKWALHHZYZHG-ZFWWWQNUSA-N 1 3 262.397 2.830 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357733 /nfs/dbraw/zinc/35/77/33/179357733.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 1 3 281.488 2.844 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+]2CCCCC[C@@H]2C)CC1 ZINC000086848914 179357735 /nfs/dbraw/zinc/35/77/35/179357735.db2.gz XVGSDEOQKHWEBV-DLBZAZTESA-N 1 3 281.488 2.844 10 0 CFAEHO NC1(Cc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000090587460 180009591 /nfs/dbraw/zinc/00/95/91/180009591.db2.gz HLABTTGWKSTTQC-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO [NH3+]C1(Cc2c(Cl)cccc2Cl)CCNCC1 ZINC000090587460 180009592 /nfs/dbraw/zinc/00/95/92/180009592.db2.gz HLABTTGWKSTTQC-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO NC[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1c1ccccc1 ZINC000398930934 539765881 /nfs/dbraw/zinc/76/58/81/539765881.db2.gz QYKFJHHCFCGKMF-SJORKVTESA-N 1 3 258.409 2.851 10 0 CFAEHO NC[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1c1ccccc1 ZINC000398930934 539765883 /nfs/dbraw/zinc/76/58/83/539765883.db2.gz QYKFJHHCFCGKMF-SJORKVTESA-N 1 3 258.409 2.851 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)[C@@H]1CCCNC1 ZINC000565539757 290307888 /nfs/dbraw/zinc/30/78/88/290307888.db2.gz NZVJDHAWVOLZRD-CHQKBHSXSA-N 1 3 250.430 2.790 10 0 CFAEHO Cc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839430 355601896 /nfs/dbraw/zinc/60/18/96/355601896.db2.gz GGTBHWBVUCSIOJ-DOMZBBRYSA-N 1 3 269.392 2.570 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840525 355603138 /nfs/dbraw/zinc/60/31/38/355603138.db2.gz SYTUZBMIRYQPOU-OSAQELSMSA-N 1 3 250.361 2.803 10 0 CFAEHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000381724168 540699420 /nfs/dbraw/zinc/69/94/20/540699420.db2.gz RXOAPRDPXCTEMP-IHRRRGAJSA-N 1 3 272.383 2.873 10 0 CFAEHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000381724168 540699424 /nfs/dbraw/zinc/69/94/24/540699424.db2.gz RXOAPRDPXCTEMP-IHRRRGAJSA-N 1 3 272.383 2.873 10 0 CFAEHO C[C@H]1CCN(c2ccnc3ccccc32)C[C@@H]1C[NH3+] ZINC000163939594 378997353 /nfs/dbraw/zinc/99/73/53/378997353.db2.gz PZATYLQAHPERHS-STQMWFEESA-N 1 3 255.365 2.656 10 0 CFAEHO CN(C[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300281000 382059368 /nfs/dbraw/zinc/05/93/68/382059368.db2.gz YOKDBQMJUITVJA-LSDHHAIUSA-N 1 3 266.429 2.552 10 0 CFAEHO C[C@@H]1CN([C@H]2CCc3cc(F)ccc32)C[C@@]1(C)C[NH3+] ZINC000388305454 382605291 /nfs/dbraw/zinc/60/52/91/382605291.db2.gz BCHPIQPUMYUJGK-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@@H+]([C@H]2CCc3cc(F)ccc32)C[C@@]1(C)CN ZINC000388305454 382605294 /nfs/dbraw/zinc/60/52/94/382605294.db2.gz BCHPIQPUMYUJGK-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)ccc32)C[C@@]1(C)CN ZINC000388305454 382605296 /nfs/dbraw/zinc/60/52/96/382605296.db2.gz BCHPIQPUMYUJGK-XFBWCDHKSA-N 1 3 262.372 2.730 10 0 CFAEHO COc1cc(Br)ccc1[C@@H](N)CCCC[NH3+] ZINC000575440364 382771821 /nfs/dbraw/zinc/77/18/21/382771821.db2.gz QBDLWWBRBYTYOB-NSHDSACASA-N 1 3 287.201 2.587 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067052 383139074 /nfs/dbraw/zinc/13/90/74/383139074.db2.gz IJLGXYBFSXVCNN-NXHRZFHOSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067052 383139077 /nfs/dbraw/zinc/13/90/77/383139077.db2.gz IJLGXYBFSXVCNN-NXHRZFHOSA-N 1 3 288.435 2.808 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344630 /nfs/dbraw/zinc/34/46/30/383344630.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 1 3 282.472 2.734 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000249413351 383344634 /nfs/dbraw/zinc/34/46/34/383344634.db2.gz VUMNEGCRAFZASS-BBWFWOEESA-N 1 3 282.472 2.734 10 0 CFAEHO Cc1ncsc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604993 383526634 /nfs/dbraw/zinc/52/66/34/383526634.db2.gz AYJXMFYOBVJVFW-CABCVRRESA-N 1 3 287.432 2.626 10 0 CFAEHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261643826 383535686 /nfs/dbraw/zinc/53/56/86/383535686.db2.gz DWZVHEBXHQUMDL-MJGOQNOKSA-N 1 3 296.414 2.870 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261776373 383558080 /nfs/dbraw/zinc/55/80/80/383558080.db2.gz PEZIXARNVRFDPK-UAGQMJEPSA-N 1 3 274.408 2.643 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261778375 383558134 /nfs/dbraw/zinc/55/81/34/383558134.db2.gz PEZIXARNVRFDPK-XIRDDKMYSA-N 1 3 274.408 2.643 10 0 CFAEHO COc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261785693 383559965 /nfs/dbraw/zinc/55/99/65/383559965.db2.gz UJXCCKUZXJKJSX-MJGOQNOKSA-N 1 3 296.414 2.870 10 0 CFAEHO C[C@H]([NH2+]CC(C)(C)c1ccccc1)[C@@H]1CCCNC1 ZINC000643460672 384641865 /nfs/dbraw/zinc/64/18/65/384641865.db2.gz AXEXCSTWAPAPPC-LSDHHAIUSA-N 1 3 260.425 2.942 10 0 CFAEHO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCCNC1 ZINC000643481421 384657365 /nfs/dbraw/zinc/65/73/65/384657365.db2.gz IAIHRNBWKRAPSS-DVHLICQRSA-N 1 3 288.435 2.712 10 0 CFAEHO C[C@@H](NC1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643481421 384657373 /nfs/dbraw/zinc/65/73/73/384657373.db2.gz IAIHRNBWKRAPSS-DVHLICQRSA-N 1 3 288.435 2.712 10 0 CFAEHO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCCNC1 ZINC000643481424 384657672 /nfs/dbraw/zinc/65/76/72/384657672.db2.gz IAIHRNBWKRAPSS-WSDZMALLSA-N 1 3 288.435 2.712 10 0 CFAEHO C[C@H](NC1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643481424 384657678 /nfs/dbraw/zinc/65/76/78/384657678.db2.gz IAIHRNBWKRAPSS-WSDZMALLSA-N 1 3 288.435 2.712 10 0 CFAEHO CN(C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000381588741 393564429 /nfs/dbraw/zinc/56/44/29/393564429.db2.gz DBOJSESHJYLWEM-QWHCGFSZSA-N 1 3 260.372 2.886 10 0 CFAEHO Cc1ccc(OC[C@@H](CC[NH3+])N2CCCCC2)cc1 ZINC000020402224 171182641 /nfs/dbraw/zinc/18/26/41/171182641.db2.gz LSEMHAKUCQDERV-OAHLLOKOSA-N 1 3 262.397 2.577 10 0 CFAEHO C[C@H]1CCC[N@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000022156195 171362718 /nfs/dbraw/zinc/36/27/18/171362718.db2.gz GGONSDHSHMDWNR-AWEZNQCLSA-N 1 3 289.423 2.596 10 0 CFAEHO C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccccc2CN)C1 ZINC000022156195 171362721 /nfs/dbraw/zinc/36/27/21/171362721.db2.gz GGONSDHSHMDWNR-AWEZNQCLSA-N 1 3 289.423 2.596 10 0 CFAEHO CCCN1CCN([C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022563293 171391008 /nfs/dbraw/zinc/39/10/08/171391008.db2.gz VDRJNYKIIWLHBB-ZWKOTPCHSA-N 1 3 289.467 2.739 10 0 CFAEHO CCCN1CCN([C@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022563302 171391282 /nfs/dbraw/zinc/39/12/82/171391282.db2.gz VDRJNYKIIWLHBB-QZTJIDSGSA-N 1 3 289.467 2.739 10 0 CFAEHO CC[C@@H]1CSC(NCC[NH+](C(C)C)C(C)C)=N1 ZINC000035294336 172105876 /nfs/dbraw/zinc/10/58/76/172105876.db2.gz UHEZCTJGECCSRY-GFCCVEGCSA-N 1 3 257.447 2.576 10 0 CFAEHO CC[NH2+][C@H](C)c1cc(C)ccc1OCCN(C)C ZINC000035629775 172310918 /nfs/dbraw/zinc/31/09/18/172310918.db2.gz RUZCBFPMZJSELE-CYBMUJFWSA-N 1 3 250.386 2.606 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCc2ccco2)C1 ZINC000035661427 172339268 /nfs/dbraw/zinc/33/92/68/172339268.db2.gz IIGYOLHRAVYWSA-KGLIPLIRSA-N 1 3 250.386 2.532 10 0 CFAEHO CC[N@@H+]1CCC[C@H]([C@@H](C)NCCc2ccco2)C1 ZINC000035661427 172339269 /nfs/dbraw/zinc/33/92/69/172339269.db2.gz IIGYOLHRAVYWSA-KGLIPLIRSA-N 1 3 250.386 2.532 10 0 CFAEHO CC[N@H+]1CCC[C@H]([C@@H](C)NCCc2ccco2)C1 ZINC000035661427 172339271 /nfs/dbraw/zinc/33/92/71/172339271.db2.gz IIGYOLHRAVYWSA-KGLIPLIRSA-N 1 3 250.386 2.532 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220973 173038955 /nfs/dbraw/zinc/03/89/55/173038955.db2.gz SSIPESOIPVWJGZ-DOMZBBRYSA-N 1 3 250.430 2.885 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220831 173039854 /nfs/dbraw/zinc/03/98/54/173039854.db2.gz HNIQDQPCAOJFPA-LZWOXQAQSA-N 1 3 261.413 2.853 10 0 CFAEHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCNCC1 ZINC000038041089 174041272 /nfs/dbraw/zinc/04/12/72/174041272.db2.gz GXLQKOLRVFETOX-LLVKDONJSA-N 1 3 252.789 2.613 10 0 CFAEHO C[C@H](Cc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000038041089 174041274 /nfs/dbraw/zinc/04/12/74/174041274.db2.gz GXLQKOLRVFETOX-LLVKDONJSA-N 1 3 252.789 2.613 10 0 CFAEHO Cc1ccc([C@@H](CN)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000040693843 174377967 /nfs/dbraw/zinc/37/79/67/174377967.db2.gz SQROOIVYJYTRAH-MRXNPFEDSA-N 1 3 291.439 2.538 10 0 CFAEHO [NH3+]CCCCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000043428143 175041278 /nfs/dbraw/zinc/04/12/78/175041278.db2.gz RUZMEYBMIPJBAK-GJZGRUSLSA-N 1 3 254.418 2.539 10 0 CFAEHO C[C@H](C[C@@H](CN)[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534558 175062946 /nfs/dbraw/zinc/06/29/46/175062946.db2.gz RALPOHMFIZQUJD-QAPCUYQASA-N 1 3 289.467 2.534 10 0 CFAEHO C[C@H](C[C@@H](CN)[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000043534558 175062947 /nfs/dbraw/zinc/06/29/47/175062947.db2.gz RALPOHMFIZQUJD-QAPCUYQASA-N 1 3 289.467 2.534 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805637 175107417 /nfs/dbraw/zinc/10/74/17/175107417.db2.gz GCOOCAHZPYUIFW-BZSNNMDCSA-N 1 3 295.515 2.961 10 0 CFAEHO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N(C)C1CCN(C)CC1 ZINC000043815256 175111744 /nfs/dbraw/zinc/11/17/44/175111744.db2.gz PNORISTVBCPOKO-ROUUACIJSA-N 1 3 289.467 2.752 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)C1CCN(C)CC1 ZINC000043815360 175112286 /nfs/dbraw/zinc/11/22/86/175112286.db2.gz NHMICOKJDSUMMS-HZPDHXFCSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043818439 175112943 /nfs/dbraw/zinc/11/29/43/175112943.db2.gz WPACGINCVQLRQE-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CC[NH2+][C@@H](CN1CCCN(C)CC1)c1ccc(C)c(C)c1 ZINC000043818437 175113037 /nfs/dbraw/zinc/11/30/37/175113037.db2.gz WPACGINCVQLRQE-SFHVURJKSA-N 1 3 289.467 2.592 10 0 CFAEHO C[NH2+][C@H](CN1CCCN(C)CC1)c1c(C)cc(C)cc1C ZINC000043818153 175113189 /nfs/dbraw/zinc/11/31/89/175113189.db2.gz NVCAGDJKZNYFCW-QGZVFWFLSA-N 1 3 289.467 2.510 10 0 CFAEHO CCCc1ccc([C@@H](CN2CCCN(C)CC2)[NH2+]C)cc1 ZINC000043818183 175113323 /nfs/dbraw/zinc/11/33/23/175113323.db2.gz REJFFFDQDUOQET-GOSISDBHSA-N 1 3 289.467 2.537 10 0 CFAEHO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CCCN(C)CC1 ZINC000043818368 175113333 /nfs/dbraw/zinc/11/33/33/175113333.db2.gz XCMIHVCKHICYED-ULQDDVLXSA-N 1 3 295.515 2.817 10 0 CFAEHO C[NH2+][C@H](CN1CCN(C(C)C)CC1)c1cc(C)ccc1C ZINC000043896954 175119785 /nfs/dbraw/zinc/11/97/85/175119785.db2.gz VDRAEIYIGZLZHS-GOSISDBHSA-N 1 3 289.467 2.590 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897186 175119805 /nfs/dbraw/zinc/11/98/05/175119805.db2.gz FZQQCRKVUGTCJA-KURKYZTESA-N 1 3 295.515 2.959 10 0 CFAEHO CCC[NH2+][C@H](CCC)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043897202 175119977 /nfs/dbraw/zinc/11/99/77/175119977.db2.gz RHKJGWKVVLKWEZ-IAGOWNOFSA-N 1 3 283.504 2.959 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897183 175120155 /nfs/dbraw/zinc/12/01/55/175120155.db2.gz FZQQCRKVUGTCJA-KSZLIROESA-N 1 3 295.515 2.959 10 0 CFAEHO CC[NH2+][C@H](CN1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000043965562 175127064 /nfs/dbraw/zinc/12/70/64/175127064.db2.gz SVCGAVNVXHNSSM-QGZVFWFLSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000043967997 175129025 /nfs/dbraw/zinc/12/90/25/175129025.db2.gz YLIPMSVPPWMKJB-QZTJIDSGSA-N 1 3 293.499 2.715 10 0 CFAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982182 175133968 /nfs/dbraw/zinc/13/39/68/175133968.db2.gz NZZXZFPQGILEQN-SJORKVTESA-N 1 3 283.504 2.817 10 0 CFAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982170 175133997 /nfs/dbraw/zinc/13/39/97/175133997.db2.gz NYCSOVDHGCXMGG-IKGGRYGDSA-N 1 3 283.504 2.673 10 0 CFAEHO CCC[NH2+][C@@H](CC)[C@H](C)N(CCN(C)C)CC(C)C ZINC000043982365 175134422 /nfs/dbraw/zinc/13/44/22/175134422.db2.gz QTUUFYWNYRGZAO-HOTGVXAUSA-N 1 3 271.493 2.673 10 0 CFAEHO CCOc1cccc(CNCC2CC[NH+](C)CC2)c1OC ZINC000044516505 175190492 /nfs/dbraw/zinc/19/04/92/175190492.db2.gz CKFQBQSGYQNOTN-UHFFFAOYSA-N 1 3 292.423 2.525 10 0 CFAEHO C[NH+]1CCC(CNCc2ccc3ccccc3n2)CC1 ZINC000044518417 175191122 /nfs/dbraw/zinc/19/11/22/175191122.db2.gz RCZBKJDPCIVZIM-UHFFFAOYSA-N 1 3 269.392 2.666 10 0 CFAEHO Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2CN)c1 ZINC000044558403 175202958 /nfs/dbraw/zinc/20/29/58/175202958.db2.gz LAELFWDQCWEVLQ-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@@H]2CN)c1 ZINC000044558403 175202960 /nfs/dbraw/zinc/20/29/60/175202960.db2.gz LAELFWDQCWEVLQ-MRXNPFEDSA-N 1 3 276.424 2.886 10 0 CFAEHO C[C@@H]1C[NH2+][C@@H](C)CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044660205 175226208 /nfs/dbraw/zinc/22/62/08/175226208.db2.gz TXNXWEURABEIBW-YALNPMBYSA-N 1 3 258.409 2.862 10 0 CFAEHO CCC[C@H](CC[NH3+])CCCN1CCN([C@@H](C)CC)CC1 ZINC000079244744 177455378 /nfs/dbraw/zinc/45/53/78/177455378.db2.gz RXJGGLOKJVPCLM-IRXDYDNUSA-N 1 3 283.504 2.948 10 0 CFAEHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(Cl)s1 ZINC000234802298 522668917 /nfs/dbraw/zinc/66/89/17/522668917.db2.gz OKIDDVAZIPMYDC-UWVGGRQHSA-N 1 3 276.833 2.806 10 0 CFAEHO C[NH2+][C@@H]1CCCN(c2cc(C)nc3ccccc32)C1 ZINC000053204707 277295262 /nfs/dbraw/zinc/29/52/62/277295262.db2.gz DXVBPJNYPYZWOJ-CYBMUJFWSA-N 1 3 255.365 2.731 10 0 CFAEHO CC[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(OC)cc1 ZINC000251136272 288089276 /nfs/dbraw/zinc/08/92/76/288089276.db2.gz ZJKHMHCYJXGWTD-BPUTZDHNSA-N 1 3 262.397 2.863 10 0 CFAEHO CCN(CC)[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133531582 279165738 /nfs/dbraw/zinc/16/57/38/279165738.db2.gz OIYVRLCHUMXZBZ-ZWKOTPCHSA-N 1 3 289.467 2.801 10 0 CFAEHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCC(F)(F)CC1 ZINC000423265392 279536945 /nfs/dbraw/zinc/53/69/45/279536945.db2.gz CXABCFRXCLGBNZ-UHTWSYAYSA-N 1 3 260.372 2.917 10 0 CFAEHO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCNC1 ZINC000565821669 290327613 /nfs/dbraw/zinc/32/76/13/290327613.db2.gz ZATJZVUXBKJWSG-JSGCOSHPSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](NCCc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000565821669 290327616 /nfs/dbraw/zinc/32/76/16/290327616.db2.gz ZATJZVUXBKJWSG-JSGCOSHPSA-N 1 3 266.816 2.860 10 0 CFAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)[C@@H]1CCCCO1 ZINC000262003832 298876911 /nfs/dbraw/zinc/87/69/11/298876911.db2.gz QRPLXKAECWTDDN-UGUYLWEFSA-N 1 3 268.445 2.844 10 0 CFAEHO CC(C)[N@H+](Cc1cccs1)CC1(CN)CCOCC1 ZINC000052183353 519661912 /nfs/dbraw/zinc/66/19/12/519661912.db2.gz NSKZOKXDHMUFEO-UHFFFAOYSA-N 1 3 282.453 2.714 10 0 CFAEHO CC(C)[N@@H+](Cc1cccs1)CC1(CN)CCOCC1 ZINC000052183353 519661914 /nfs/dbraw/zinc/66/19/14/519661914.db2.gz NSKZOKXDHMUFEO-UHFFFAOYSA-N 1 3 282.453 2.714 10 0 CFAEHO CC(C)[NH2+]CCC[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543561 519721206 /nfs/dbraw/zinc/72/12/06/519721206.db2.gz LGINZAADZAYGHI-UONOGXRCSA-N 1 3 256.434 2.652 10 0 CFAEHO CC(C)C[NH2+]Cc1ccoc1CN(C)[C@H]1CCSC1 ZINC000052453181 519747916 /nfs/dbraw/zinc/74/79/16/519747916.db2.gz LZFIISCDIWEHEU-AWEZNQCLSA-N 1 3 282.453 2.963 10 0 CFAEHO CC(C)C[NH2+]C[C@H](C(C)C)N(CCN(C)C)CC(C)C ZINC000052503253 519745630 /nfs/dbraw/zinc/74/56/30/519745630.db2.gz DFSFUCONDBNWES-QGZVFWFLSA-N 1 3 285.520 2.776 10 0 CFAEHO CCC[NH2+]CCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573188 519912003 /nfs/dbraw/zinc/91/20/03/519912003.db2.gz MLSXWYXNMNYWCV-HOTGVXAUSA-N 1 3 268.445 2.800 10 0 CFAEHO CCNCC1(C[N@@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181819 519912954 /nfs/dbraw/zinc/91/29/54/519912954.db2.gz MQSUVZUUEPVPBD-HNNXBMFYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCNCC1(C[N@H+]2CCC[C@H](CC)C2)CCOCC1 ZINC000052181819 519912956 /nfs/dbraw/zinc/91/29/56/519912956.db2.gz MQSUVZUUEPVPBD-HNNXBMFYSA-N 1 3 268.445 2.515 10 0 CFAEHO CC[NH2+]CC1(CN2CCC[C@H](CC)C2)CCOCC1 ZINC000052181819 519912961 /nfs/dbraw/zinc/91/29/61/519912961.db2.gz MQSUVZUUEPVPBD-HNNXBMFYSA-N 1 3 268.445 2.515 10 0 CFAEHO CC[NH2+]Cc1cc(CN(C)[C@@H]2CCSC2)oc1C ZINC000052453187 519988063 /nfs/dbraw/zinc/98/80/63/519988063.db2.gz PVVDBYKWGBMWQO-CYBMUJFWSA-N 1 3 268.426 2.635 10 0 CFAEHO CC[NH2+]Cc1cccc(CN2CCCSCC2)c1 ZINC000052371020 520004371 /nfs/dbraw/zinc/00/43/71/520004371.db2.gz SAOVVACMZGDCJO-UHFFFAOYSA-N 1 3 264.438 2.735 10 0 CFAEHO CCNCc1occc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420653 520030033 /nfs/dbraw/zinc/03/00/33/520030033.db2.gz AJIXVWDCRVQVGA-STQMWFEESA-N 1 3 250.386 2.867 10 0 CFAEHO CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)c(Cl)c1 ZINC000061699549 520078044 /nfs/dbraw/zinc/07/80/44/520078044.db2.gz WSTAKWKNQWKKTB-NSHDSACASA-N 1 3 270.804 2.951 10 0 CFAEHO CC[NH2+][C@H](C)c1ccc(OCCN(C)C)c(Cl)c1 ZINC000061699550 520179380 /nfs/dbraw/zinc/17/93/80/520179380.db2.gz WSTAKWKNQWKKTB-LLVKDONJSA-N 1 3 270.804 2.951 10 0 CFAEHO CC(C)(C)N1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000048926945 518713017 /nfs/dbraw/zinc/71/30/17/518713017.db2.gz AQWFIUAJDCXMAS-HNNXBMFYSA-N 1 3 295.858 2.756 10 0 CFAEHO CC(C)(C)[NH2+]CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702276 518759366 /nfs/dbraw/zinc/75/93/66/518759366.db2.gz OFHNQLYGRFIUBW-MRXNPFEDSA-N 1 3 276.424 2.666 10 0 CFAEHO CC(C)[NH2+]CC1(CN2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180558 519720336 /nfs/dbraw/zinc/72/03/36/519720336.db2.gz PBLPBAUKZRFJPW-HZPDHXFCSA-N 1 3 282.472 2.759 10 0 CFAEHO CC(C)NCC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180558 519720338 /nfs/dbraw/zinc/72/03/38/519720338.db2.gz PBLPBAUKZRFJPW-HZPDHXFCSA-N 1 3 282.472 2.759 10 0 CFAEHO CCC[NH2+]C[C@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419171 519938745 /nfs/dbraw/zinc/93/87/45/519938745.db2.gz KIHUDLWGDSMGJP-MSOLQXFVSA-N 1 3 288.435 2.592 10 0 CFAEHO CCNCc1occc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420652 520030340 /nfs/dbraw/zinc/03/03/40/520030340.db2.gz AJIXVWDCRVQVGA-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCc1occc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420652 520030346 /nfs/dbraw/zinc/03/03/46/520030346.db2.gz AJIXVWDCRVQVGA-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCO[C@H]1CCCN(Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401386 520284716 /nfs/dbraw/zinc/28/47/16/520284716.db2.gz HBQFIPVPSGVYSW-INIZCTEOSA-N 1 3 280.387 2.675 10 0 CFAEHO CC[N@H+](CC(C)C)CC1(CNC(C)C)CCOCC1 ZINC000052181224 520412740 /nfs/dbraw/zinc/41/27/40/520412740.db2.gz NHMGAWLEGRKSIW-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CC[N@@H+](CC(C)C)CC1(CNC(C)C)CCOCC1 ZINC000052181224 520412743 /nfs/dbraw/zinc/41/27/43/520412743.db2.gz NHMGAWLEGRKSIW-UHFFFAOYSA-N 1 3 270.461 2.759 10 0 CFAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085364160 520756811 /nfs/dbraw/zinc/75/68/11/520756811.db2.gz MSOVLUMHLJNJEN-HZPDHXFCSA-N 1 3 289.423 2.594 10 0 CFAEHO CCCCOCC[N@H+](CCCN)C1CCCCC1 ZINC000049261663 520760106 /nfs/dbraw/zinc/76/01/06/520760106.db2.gz AZIXQOSKWUMVJN-UHFFFAOYSA-N 1 3 256.434 2.787 10 0 CFAEHO CCCCOCC[N@@H+](CCCN)C1CCCCC1 ZINC000049261663 520760112 /nfs/dbraw/zinc/76/01/12/520760112.db2.gz AZIXQOSKWUMVJN-UHFFFAOYSA-N 1 3 256.434 2.787 10 0 CFAEHO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CCSCC2)C1 ZINC000053864393 520829071 /nfs/dbraw/zinc/82/90/71/520829071.db2.gz OUVZYSJWUIBAJO-HZSPNIEDSA-N 1 3 256.459 2.579 10 0 CFAEHO CCS[C@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000300678788 521731615 /nfs/dbraw/zinc/73/16/15/521731615.db2.gz YSHOAHUACUNIFG-KBPBESRZSA-N 1 3 256.459 2.736 10 0 CFAEHO CNCC1(C[NH+](CC(C)C)CC(C)C)CCOCC1 ZINC000052182231 521968329 /nfs/dbraw/zinc/96/83/29/521968329.db2.gz UCCCWMXDSGJKNG-UHFFFAOYSA-N 1 3 270.461 2.617 10 0 CFAEHO CC[C@@H](C)N(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181182 522048915 /nfs/dbraw/zinc/04/89/15/522048915.db2.gz DUBTZHUVHWLVQO-CQSZACIVSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@@H](C)[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181182 522048922 /nfs/dbraw/zinc/04/89/22/522048922.db2.gz DUBTZHUVHWLVQO-CQSZACIVSA-N 1 3 256.434 2.512 10 0 CFAEHO CC[C@@H](C)[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181182 522048927 /nfs/dbraw/zinc/04/89/27/522048927.db2.gz DUBTZHUVHWLVQO-CQSZACIVSA-N 1 3 256.434 2.512 10 0 CFAEHO COCc1ccccc1C[NH2+]CC[C@H]1CCCCN1C ZINC000052205658 523102825 /nfs/dbraw/zinc/10/28/25/523102825.db2.gz VCCJMILRDGQEED-QGZVFWFLSA-N 1 3 276.424 2.797 10 0 CFAEHO CC[C@H](C)N1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055067350 523960134 /nfs/dbraw/zinc/96/01/34/523960134.db2.gz LPGBAUFNENRONA-UONOGXRCSA-N 1 3 261.413 2.627 10 0 CFAEHO C[C@H]1CCC[N@@H+]1CCOc1ccccc1CNC1CC1 ZINC000052375853 524120492 /nfs/dbraw/zinc/12/04/92/524120492.db2.gz NAIKEBCKOHVXHV-AWEZNQCLSA-N 1 3 274.408 2.802 10 0 CFAEHO C[C@H]1CCC[N@H+]1CCOc1ccccc1CNC1CC1 ZINC000052375853 524120497 /nfs/dbraw/zinc/12/04/97/524120497.db2.gz NAIKEBCKOHVXHV-AWEZNQCLSA-N 1 3 274.408 2.802 10 0 CFAEHO C[C@@H](CCC[NH2+]C(C)(C)C)OC1CCN(C)CC1 ZINC000052596809 524456842 /nfs/dbraw/zinc/45/68/42/524456842.db2.gz IZKPYDXHQHKJQB-ZDUSSCGKSA-N 1 3 256.434 2.654 10 0 CFAEHO Cc1cccc([C@@H](C[NH3+])N2CCN(C3CCCC3)CC2)c1 ZINC000052060167 524833908 /nfs/dbraw/zinc/83/39/08/524833908.db2.gz MBDHKJNJGHMYHD-GOSISDBHSA-N 1 3 287.451 2.555 10 0 CFAEHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCCN(C)C1 ZINC000049577410 525523501 /nfs/dbraw/zinc/52/35/01/525523501.db2.gz DRQVBMIZXDLIMW-YPMHNXCESA-N 1 3 268.351 2.785 10 0 CFAEHO C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000048927088 526097347 /nfs/dbraw/zinc/09/73/47/526097347.db2.gz VBNLZVQXKCQAFS-RDJZCZTQSA-N 1 3 289.467 2.534 10 0 CFAEHO NCCC[N@H+](CCCn1ccnc1)C1CCCCCC1 ZINC000049327444 527178407 /nfs/dbraw/zinc/17/84/07/527178407.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 1 3 278.444 2.647 10 0 CFAEHO NCCC[N@@H+](CCCn1ccnc1)C1CCCCCC1 ZINC000049327444 527178414 /nfs/dbraw/zinc/17/84/14/527178414.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 1 3 278.444 2.647 10 0 CFAEHO NCc1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000049331772 527248777 /nfs/dbraw/zinc/24/87/77/527248777.db2.gz XKUXYEQZUWJGCM-UHFFFAOYSA-N 1 3 268.788 2.663 10 0 CFAEHO [NH3+]Cc1ccc(Cl)cc1OCCN1CCCCC1 ZINC000062787198 527252770 /nfs/dbraw/zinc/25/27/70/527252770.db2.gz WCVPWRMAENOIPE-UHFFFAOYSA-N 1 3 268.788 2.663 10 0 CFAEHO CC1(C)[C@H](C(F)(F)F)CCN1C[C@H]1CCC[NH2+]C1 ZINC000261578441 619173009 /nfs/dbraw/zinc/17/30/09/619173009.db2.gz OZDCXKTYZXGMPI-WDEREUQCSA-N 1 3 264.335 2.649 10 0 CFAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000228358404 623141408 /nfs/dbraw/zinc/14/14/08/623141408.db2.gz QQCVSWTZPDQKKY-YFKTTZPYSA-N 1 3 264.335 2.825 10 0 CFAEHO CC[NH+](CC)CCc1nc(C(C)C)c(CNC)s1 ZINC000082434504 178011174 /nfs/dbraw/zinc/01/11/74/178011174.db2.gz VQTHZADAIRQJSY-UHFFFAOYSA-N 1 3 269.458 2.870 10 0 CFAEHO CC[NH+](CC)CCc1nc(COC)c(CNC(C)C)s1 ZINC000082446910 178025024 /nfs/dbraw/zinc/02/50/24/178025024.db2.gz RRCRSONOKYYMGJ-UHFFFAOYSA-N 1 3 299.484 2.672 10 0 CFAEHO CCN(CC)CCc1nc(COC)c(C[NH2+]C(C)C)s1 ZINC000082446910 178025026 /nfs/dbraw/zinc/02/50/26/178025026.db2.gz RRCRSONOKYYMGJ-UHFFFAOYSA-N 1 3 299.484 2.672 10 0 CFAEHO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818248 179346489 /nfs/dbraw/zinc/34/64/89/179346489.db2.gz ZFBVLAAVUQDTLV-OCCSQVGLSA-N 1 3 280.387 2.969 10 0 CFAEHO CCN1CCC[C@](CN)([N@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356715 /nfs/dbraw/zinc/35/67/15/179356715.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 1 3 269.477 2.556 10 0 CFAEHO CCN1CCC[C@](CN)([N@@H+](C)[C@@H](C)CC(C)C)CC1 ZINC000086848088 179356717 /nfs/dbraw/zinc/35/67/17/179356717.db2.gz AOVDKEUGLTWYFS-HOTGVXAUSA-N 1 3 269.477 2.556 10 0 CFAEHO CCCN1CCC[C@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000086845969 179354512 /nfs/dbraw/zinc/35/45/12/179354512.db2.gz GMMIMQQRBWVJFP-GJZGRUSLSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@@H+]1CCC[C@H](N[C@@H](COC)C(C)C)CC1 ZINC000086845969 179354513 /nfs/dbraw/zinc/35/45/13/179354513.db2.gz GMMIMQQRBWVJFP-GJZGRUSLSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@H+]1CCC[C@H](N[C@@H](COC)C(C)C)CC1 ZINC000086845969 179354515 /nfs/dbraw/zinc/35/45/15/179354515.db2.gz GMMIMQQRBWVJFP-GJZGRUSLSA-N 1 3 256.434 2.512 10 0 CFAEHO CCN1CCC[C@H]([NH2+]CCCOc2ccccc2)CC1 ZINC000086844168 179354606 /nfs/dbraw/zinc/35/46/06/179354606.db2.gz OBPSVCBTCADAHM-INIZCTEOSA-N 1 3 276.424 2.920 10 0 CFAEHO CCC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CCN(C)C ZINC000104193583 185923713 /nfs/dbraw/zinc/92/37/13/185923713.db2.gz AGBIOSZQJZURCO-MRXNPFEDSA-N 1 3 271.493 2.674 10 0 CFAEHO NCCC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000584614856 348690934 /nfs/dbraw/zinc/69/09/34/348690934.db2.gz MFVFEBIMLUMSJJ-UHFFFAOYSA-N 1 3 292.814 2.629 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573520 539673191 /nfs/dbraw/zinc/67/31/91/539673191.db2.gz ASRAULRCPRCDBD-BRWVUGGUSA-N 1 3 256.393 2.733 10 0 CFAEHO C[C@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631837833 355601140 /nfs/dbraw/zinc/60/11/40/355601140.db2.gz GAPXNTPPUIIBIW-GWCFXTLKSA-N 1 3 254.324 2.651 10 0 CFAEHO C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CN ZINC000631839519 355602726 /nfs/dbraw/zinc/60/27/26/355602726.db2.gz HHCCPKGTIWALGN-CJNGLKHVSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CN ZINC000631839519 355602729 /nfs/dbraw/zinc/60/27/29/355602729.db2.gz HHCCPKGTIWALGN-CJNGLKHVSA-N 1 3 254.377 2.866 10 0 CFAEHO CN(c1ccnc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041721451 372859705 /nfs/dbraw/zinc/85/97/05/372859705.db2.gz JGVAEZUHDFLGST-PBWFPOADSA-N 1 3 267.376 2.954 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000400326254 380854845 /nfs/dbraw/zinc/85/48/45/380854845.db2.gz CKFWNQSTCZYAAY-NXEZZACHSA-N 1 3 258.818 2.532 10 0 CFAEHO C[C@H](CCOCc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400335739 380857437 /nfs/dbraw/zinc/85/74/37/380857437.db2.gz FWNSEYWEKAMICZ-VYDXJSESSA-N 1 3 276.424 2.569 10 0 CFAEHO c1ccc(CN2CCC(NC3=[NH+]CCCS3)CC2)cc1 ZINC000020586389 184535951 /nfs/dbraw/zinc/53/59/51/184535951.db2.gz ATUFEKPIMWAXEC-UHFFFAOYSA-N 1 3 289.448 2.734 10 0 CFAEHO N[C@@H](CCC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575438540 382771148 /nfs/dbraw/zinc/77/11/48/382771148.db2.gz LVNRBOKIENEFOE-QMMMGPOBSA-N 1 3 251.132 2.871 10 0 CFAEHO CCOc1ccc(Br)cc1[C@@H](N)CCC[NH3+] ZINC000575439587 382771361 /nfs/dbraw/zinc/77/13/61/382771361.db2.gz UAIUORHZQBAJBD-NSHDSACASA-N 1 3 287.201 2.587 10 0 CFAEHO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCNC1 ZINC000575859733 382801943 /nfs/dbraw/zinc/80/19/43/382801943.db2.gz DLSATJIWAZYTOQ-DGCLKSJQSA-N 1 3 260.372 2.790 10 0 CFAEHO CN(Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000231454912 382864800 /nfs/dbraw/zinc/86/48/00/382864800.db2.gz OMGZAMXANAMNAB-QGZVFWFLSA-N 1 3 258.409 2.749 10 0 CFAEHO Cc1cc(C)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261612409 383527911 /nfs/dbraw/zinc/52/79/11/383527911.db2.gz SPNHRUBWWPWLQC-USXIJHARSA-N 1 3 258.409 2.781 10 0 CFAEHO CCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261876410 383574538 /nfs/dbraw/zinc/57/45/38/383574538.db2.gz ZTQMTLAULHEPTP-UAGQMJEPSA-N 1 3 274.408 2.645 10 0 CFAEHO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000572850221 383827758 /nfs/dbraw/zinc/82/77/58/383827758.db2.gz DQAXXJHONRNZRP-PMRDFSHISA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@@H](NC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572850221 383827764 /nfs/dbraw/zinc/82/77/64/383827764.db2.gz DQAXXJHONRNZRP-PMRDFSHISA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@H]([NH2+]C1CC(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000572850220 383826856 /nfs/dbraw/zinc/82/68/56/383826856.db2.gz DQAXXJHONRNZRP-OBTMHIKCSA-N 1 3 258.409 2.910 10 0 CFAEHO C[C@H](NC1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572850220 383826861 /nfs/dbraw/zinc/82/68/61/383826861.db2.gz DQAXXJHONRNZRP-OBTMHIKCSA-N 1 3 258.409 2.910 10 0 CFAEHO c1ccc2c(C[NH2+]C[C@H]3CCN(C4CC4)C3)ccnc2c1 ZINC000111763490 393886722 /nfs/dbraw/zinc/88/67/22/393886722.db2.gz FQDMEOVFFGFMCV-CQSZACIVSA-N 1 3 281.403 2.809 10 0 CFAEHO c1ccc2c(CNC[C@H]3CC[N@@H+](C4CC4)C3)ccnc2c1 ZINC000111763490 393886726 /nfs/dbraw/zinc/88/67/26/393886726.db2.gz FQDMEOVFFGFMCV-CQSZACIVSA-N 1 3 281.403 2.809 10 0 CFAEHO c1ccc2c(CNC[C@H]3CC[N@H+](C4CC4)C3)ccnc2c1 ZINC000111763490 393886731 /nfs/dbraw/zinc/88/67/31/393886731.db2.gz FQDMEOVFFGFMCV-CQSZACIVSA-N 1 3 281.403 2.809 10 0 CFAEHO Cc1ccc([C@H](C)N[C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959978 543024792 /nfs/dbraw/zinc/02/47/92/543024792.db2.gz GIPYWHMEJOLKRM-STQMWFEESA-N 1 3 250.386 2.969 10 0 CFAEHO CCc1ccc([C@H](C[NH3+])N2CCN(CC(C)C)CC2)cc1 ZINC000020179540 171044468 /nfs/dbraw/zinc/04/44/68/171044468.db2.gz MLSGPPBGDZWRHD-SFHVURJKSA-N 1 3 289.467 2.522 10 0 CFAEHO CC1CC[NH+](CCCC(=O)Nc2ccccc2CN)CC1 ZINC000022156484 171363047 /nfs/dbraw/zinc/36/30/47/171363047.db2.gz HUQXJOUQFAGYMJ-UHFFFAOYSA-N 1 3 289.423 2.596 10 0 CFAEHO [NH3+]Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000022172473 171368966 /nfs/dbraw/zinc/36/89/66/171368966.db2.gz MUJXFFRQGDEROK-UHFFFAOYSA-N 1 3 252.361 2.704 10 0 CFAEHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629048 287268909 /nfs/dbraw/zinc/26/89/09/287268909.db2.gz BLUAHGBTPQBFFY-QXSJWSMHSA-N 1 3 280.456 2.654 10 0 CFAEHO CCCCCN(C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000037171734 173005985 /nfs/dbraw/zinc/00/59/85/173005985.db2.gz LYVMLZJYOTYKNT-UHFFFAOYSA-N 1 3 251.349 2.732 10 0 CFAEHO COc1ccc([C@H](NCCC[NH+](C)C)C2CC2)cc1 ZINC000037213678 173034880 /nfs/dbraw/zinc/03/48/80/173034880.db2.gz HRDGMLOXYZLOER-MRXNPFEDSA-N 1 3 262.397 2.688 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220974 173038960 /nfs/dbraw/zinc/03/89/60/173038960.db2.gz SSIPESOIPVWJGZ-IUODEOHRSA-N 1 3 250.430 2.885 10 0 CFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221783 173041850 /nfs/dbraw/zinc/04/18/50/173041850.db2.gz CMEMMUUDRMHXAN-UGUYLWEFSA-N 1 3 268.445 2.654 10 0 CFAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221783 173041853 /nfs/dbraw/zinc/04/18/53/173041853.db2.gz CMEMMUUDRMHXAN-UGUYLWEFSA-N 1 3 268.445 2.654 10 0 CFAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000037221783 173041856 /nfs/dbraw/zinc/04/18/56/173041856.db2.gz CMEMMUUDRMHXAN-UGUYLWEFSA-N 1 3 268.445 2.654 10 0 CFAEHO [NH3+]CCCCCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000043428141 175041306 /nfs/dbraw/zinc/04/13/06/175041306.db2.gz RUZMEYBMIPJBAK-CABCVRRESA-N 1 3 254.418 2.539 10 0 CFAEHO CCN(CCC[C@@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000043591990 175074338 /nfs/dbraw/zinc/07/43/38/175074338.db2.gz IHPHESZNNGYOEF-AWEZNQCLSA-N 1 3 250.386 2.881 10 0 CFAEHO CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCN(CCC)CC1 ZINC000043805550 175107709 /nfs/dbraw/zinc/10/77/09/175107709.db2.gz LVIZNGFVRLICTC-CVEARBPZSA-N 1 3 269.477 2.571 10 0 CFAEHO CCCN1CCN([C@@H](CC)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805394 175107758 /nfs/dbraw/zinc/10/77/58/175107758.db2.gz LGNXVLOQEKBUNP-ZWKOTPCHSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H](CN1CCN(CCC)CC1)c1ccccc1 ZINC000043805597 175107928 /nfs/dbraw/zinc/10/79/28/175107928.db2.gz QOIDUYXVLMNEHW-SFHVURJKSA-N 1 3 289.467 2.755 10 0 CFAEHO CCOc1ccc([C@H](C)[NH2+]C)cc1CN1CCCC1 ZINC000043807206 175108306 /nfs/dbraw/zinc/10/83/06/175108306.db2.gz UVVLPZFLJQSICG-ZDUSSCGKSA-N 1 3 262.397 2.962 10 0 CFAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000043814123 175111620 /nfs/dbraw/zinc/11/16/20/175111620.db2.gz CELKJDOIMKNZLW-ZDUSSCGKSA-N 1 3 262.397 2.962 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815401 175112165 /nfs/dbraw/zinc/11/21/65/175112165.db2.gz GOZYTPVFHXFWMU-XIRDDKMYSA-N 1 3 281.488 2.569 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815434 175112591 /nfs/dbraw/zinc/11/25/91/175112591.db2.gz XEKWJFKYVLRXFU-JQHSSLGASA-N 1 3 295.515 2.959 10 0 CFAEHO C[NH2+][C@@H](C)CCN1CCC(Cc2ccccc2)CC1 ZINC000043819719 175114178 /nfs/dbraw/zinc/11/41/78/175114178.db2.gz AWDXNNFSUBRMHF-HNNXBMFYSA-N 1 3 260.425 2.939 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCN(C(C)C)CC1 ZINC000043897050 175119946 /nfs/dbraw/zinc/11/99/46/175119946.db2.gz ALIFXOLZGLSVMQ-FUHWJXTLSA-N 1 3 289.467 2.752 10 0 CFAEHO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043897049 175120179 /nfs/dbraw/zinc/12/01/79/175120179.db2.gz ALIFXOLZGLSVMQ-AEFFLSMTSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1cc(C)ccc1C ZINC000043896956 175120185 /nfs/dbraw/zinc/12/01/85/175120185.db2.gz VDRAEIYIGZLZHS-SFHVURJKSA-N 1 3 289.467 2.590 10 0 CFAEHO CCC[NH2+][C@@H](C)CCN(CCOC)[C@@H](C)C1CC1 ZINC000043977924 175133435 /nfs/dbraw/zinc/13/34/35/175133435.db2.gz YVEDEWNOIQBWOY-KBPBESRZSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N(CCN(C)C)CC(C)C ZINC000043982388 175133978 /nfs/dbraw/zinc/13/39/78/175133978.db2.gz BTFSFFSRDPSLTC-IAGOWNOFSA-N 1 3 283.504 2.817 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CCCCOC)C1 ZINC000044656970 175225788 /nfs/dbraw/zinc/22/57/88/175225788.db2.gz QDTCCZDEAGVAAE-HUUCEWRRSA-N 1 3 256.434 2.513 10 0 CFAEHO CC[NH2+][C@@H]1CCCc2cc(OCCN(C)C)ccc21 ZINC000044745631 175242017 /nfs/dbraw/zinc/24/20/17/175242017.db2.gz RHTVFWQRXBYEIH-MRXNPFEDSA-N 1 3 262.397 2.614 10 0 CFAEHO C[C@@H]1CCN(c2ccnc3ccccc32)[C@@H](C[NH3+])C1 ZINC000235376866 287604720 /nfs/dbraw/zinc/60/47/20/287604720.db2.gz LYWWOLVAWMGDOV-CHWSQXEVSA-N 1 3 255.365 2.798 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515580 265183546 /nfs/dbraw/zinc/18/35/46/265183546.db2.gz YVZMIHPVCSDYSD-YESZJQIVSA-N 1 3 283.504 2.863 10 0 CFAEHO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400506253 288079250 /nfs/dbraw/zinc/07/92/50/288079250.db2.gz DGPULFCDHXBZSZ-XPKDYRNWSA-N 1 3 262.397 2.734 10 0 CFAEHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000515828751 281298336 /nfs/dbraw/zinc/29/83/36/281298336.db2.gz HXFFFWNQLLHEES-ZOBORPQBSA-N 1 3 256.459 2.638 10 0 CFAEHO CN(C)[C@@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334185262 289328583 /nfs/dbraw/zinc/32/85/83/289328583.db2.gz DWAJOFSBZPKAOW-JKSUJKDBSA-N 1 3 280.456 2.798 10 0 CFAEHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)COCc1ccccc1 ZINC000567641536 290480407 /nfs/dbraw/zinc/48/04/07/290480407.db2.gz MNWGHSJSARLPKI-JFIYKMOQSA-N 1 3 290.451 2.817 10 0 CFAEHO [NH3+]CC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000070073978 295237905 /nfs/dbraw/zinc/23/79/05/295237905.db2.gz XQTRZLPBPBOUTL-ZDUSSCGKSA-N 1 3 255.365 2.800 10 0 CFAEHO CCC[NH2+]Cc1cccc(CN(C)[C@@H](C)COC)c1 ZINC000052511407 519953970 /nfs/dbraw/zinc/95/39/70/519953970.db2.gz MSUHZDNMPBAFAO-AWEZNQCLSA-N 1 3 264.413 2.653 10 0 CFAEHO CCNCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000052420615 519994526 /nfs/dbraw/zinc/99/45/26/519994526.db2.gz LGRMGRCOLKTFNO-CHWSQXEVSA-N 1 3 250.386 2.867 10 0 CFAEHO CCC[C@H](C)[N@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181885 521033208 /nfs/dbraw/zinc/03/32/08/521033208.db2.gz DJSJLJZHLIIRFY-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCC[C@H](C)[N@@H+](C)CC1(CNC(C)C)CCOCC1 ZINC000052181885 521033217 /nfs/dbraw/zinc/03/32/17/521033217.db2.gz DJSJLJZHLIIRFY-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N1CCOC(C)(C)C1 ZINC000052481864 519743516 /nfs/dbraw/zinc/74/35/16/519743516.db2.gz XJVQAVZABNIFCQ-AWEZNQCLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)OCC[N@H+](CCCN)C1CCCCCC1 ZINC000049259238 519765378 /nfs/dbraw/zinc/76/53/78/519765378.db2.gz MZEZKNXNIBFVBT-UHFFFAOYSA-N 1 3 256.434 2.785 10 0 CFAEHO CC(C)OCC[N@@H+](CCCN)C1CCCCCC1 ZINC000049259238 519765380 /nfs/dbraw/zinc/76/53/80/519765380.db2.gz MZEZKNXNIBFVBT-UHFFFAOYSA-N 1 3 256.434 2.785 10 0 CFAEHO CCCN1CCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052422089 519859323 /nfs/dbraw/zinc/85/93/23/519859323.db2.gz FLHHAKGBJCZICJ-UHFFFAOYSA-N 1 3 293.455 2.695 10 0 CFAEHO CCNCC1(C[N@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197763 519911805 /nfs/dbraw/zinc/91/18/05/519911805.db2.gz BXRJXJYKYPFSJZ-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@@H+](C)C2CCC(C)CC2)CCOCC1 ZINC000052197763 519911808 /nfs/dbraw/zinc/91/18/08/519911808.db2.gz BXRJXJYKYPFSJZ-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@H](CN(CC)Cc2ccccc2)O1 ZINC000052443810 519953259 /nfs/dbraw/zinc/95/32/59/519953259.db2.gz ZCOUURLJQUYKJP-DLBZAZTESA-N 1 3 276.424 2.666 10 0 CFAEHO CC[NH2+]Cc1cccc(CN(C)[C@@H]2CCSC2)c1 ZINC000052453126 520003871 /nfs/dbraw/zinc/00/38/71/520003871.db2.gz XOIYTSKPGRAMRD-OAHLLOKOSA-N 1 3 264.438 2.733 10 0 CFAEHO CCC[NH2+][C@@H]1CCc2c1cccc2OCCN(C)C ZINC000062800052 520026555 /nfs/dbraw/zinc/02/65/55/520026555.db2.gz YPMHJBOALKFWNX-OAHLLOKOSA-N 1 3 262.397 2.614 10 0 CFAEHO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075314 520666709 /nfs/dbraw/zinc/66/67/09/520666709.db2.gz ISWAMIYRAOJQBO-PMPSAXMXSA-N 1 3 269.477 2.569 10 0 CFAEHO CCCCOCC[NH2+]CCCN1CCCC[C@@H]1C ZINC000049261896 520780708 /nfs/dbraw/zinc/78/07/08/520780708.db2.gz ARAUUOWFEAMAOG-HNNXBMFYSA-N 1 3 256.434 2.657 10 0 CFAEHO CCC[C@H](C)N(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181885 521033201 /nfs/dbraw/zinc/03/32/01/521033201.db2.gz DJSJLJZHLIIRFY-HNNXBMFYSA-N 1 3 270.461 2.902 10 0 CFAEHO CCCN(CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052181430 521618887 /nfs/dbraw/zinc/61/88/87/521618887.db2.gz VXBWSLRUJCIEKD-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[NH+](CCC)CC1(CNC2CC2)CCOCC1 ZINC000052180907 521642789 /nfs/dbraw/zinc/64/27/89/521642789.db2.gz IPKMCUNPGANCTR-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCN1CCN(Cc2cccc(C[NH2+]CC(C)C)c2)CC1 ZINC000052422296 521688619 /nfs/dbraw/zinc/68/86/19/521688619.db2.gz ZSKZGPGGKHYDNK-UHFFFAOYSA-N 1 3 289.467 2.570 10 0 CFAEHO CN(C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943257 521933482 /nfs/dbraw/zinc/93/34/82/521933482.db2.gz WYDDKJXRKYQUFV-OAHLLOKOSA-N 1 3 289.423 2.609 10 0 CFAEHO CN(C)Cc1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000061571784 521934228 /nfs/dbraw/zinc/93/42/28/521934228.db2.gz BDPIXRMWXGVDGH-OAHLLOKOSA-N 1 3 264.438 2.733 10 0 CFAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2cccc(Cl)c2)O1 ZINC000052508247 522058841 /nfs/dbraw/zinc/05/88/41/522058841.db2.gz UKCDSKRBHKCXTL-GJZGRUSLSA-N 1 3 282.815 2.539 10 0 CFAEHO COC1CC[NH+](Cc2c3ccccc3sc2CN)CC1 ZINC000052455293 522703649 /nfs/dbraw/zinc/70/36/49/522703649.db2.gz YXOKWBJMQZVIPW-UHFFFAOYSA-N 1 3 290.432 2.971 10 0 CFAEHO COCc1ccccc1C[NH2+]CC[C@@H]1CCCCN1C ZINC000052205659 523102624 /nfs/dbraw/zinc/10/26/24/523102624.db2.gz VCCJMILRDGQEED-KRWDZBQOSA-N 1 3 276.424 2.797 10 0 CFAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250662655 650977697 /nfs/dbraw/zinc/97/76/97/650977697.db2.gz QQCVSWTZPDQKKY-USZNOCQGSA-N 1 3 264.335 2.825 10 0 CFAEHO CCC1(CC)CN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261997971 282372924 /nfs/dbraw/zinc/37/29/24/282372924.db2.gz SZQRFIUJVHUSIO-CYBMUJFWSA-N 1 3 256.459 2.594 10 0 CFAEHO CCC1(CC)C[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261997971 282372926 /nfs/dbraw/zinc/37/29/26/282372926.db2.gz SZQRFIUJVHUSIO-CYBMUJFWSA-N 1 3 256.459 2.594 10 0 CFAEHO CCC1(CC)C[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261997971 282372928 /nfs/dbraw/zinc/37/29/28/282372928.db2.gz SZQRFIUJVHUSIO-CYBMUJFWSA-N 1 3 256.459 2.594 10 0 CFAEHO [NH3+]CCCN1CCC2(CCCc3ccccc32)CC1 ZINC000038978360 346340745 /nfs/dbraw/zinc/34/07/45/346340745.db2.gz HIVAVHZKVPSGJI-UHFFFAOYSA-N 1 3 258.409 2.705 10 0 CFAEHO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086818247 179347467 /nfs/dbraw/zinc/34/74/67/179347467.db2.gz ZFBVLAAVUQDTLV-JSGCOSHPSA-N 1 3 280.387 2.969 10 0 CFAEHO CN(CCC[NH2+][C@H]1CCCN(C)CC1)Cc1ccccc1 ZINC000086817119 179344672 /nfs/dbraw/zinc/34/46/72/179344672.db2.gz GHKKRVGNMIZRSN-SFHVURJKSA-N 1 3 289.467 2.582 10 0 CFAEHO CN(CCC[NH2+][C@@H]1CCCN(C)CC1)Cc1ccccc1 ZINC000086817120 179345285 /nfs/dbraw/zinc/34/52/85/179345285.db2.gz GHKKRVGNMIZRSN-GOSISDBHSA-N 1 3 289.467 2.582 10 0 CFAEHO CN(C)Cc1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086818563 179347036 /nfs/dbraw/zinc/34/70/36/179347036.db2.gz CMTNIZPPUXMPFD-HNNXBMFYSA-N 1 3 261.413 2.644 10 0 CFAEHO CN(C)Cc1ccccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818563 179347038 /nfs/dbraw/zinc/34/70/38/179347038.db2.gz CMTNIZPPUXMPFD-HNNXBMFYSA-N 1 3 261.413 2.644 10 0 CFAEHO CCCN1CCC[C@H]([NH2+]C[C@@H](C)CSC)CC1 ZINC000086845273 179355733 /nfs/dbraw/zinc/35/57/33/179355733.db2.gz PXTVGDXZSALKTK-KGLIPLIRSA-N 1 3 258.475 2.840 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+](CC)C2CCCC2)CC1 ZINC000086847027 179356913 /nfs/dbraw/zinc/35/69/13/179356913.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+](CC)C2CCCC2)CC1 ZINC000086847027 179356915 /nfs/dbraw/zinc/35/69/15/179356915.db2.gz KKPCIVCPVAGFGT-QGZVFWFLSA-N 1 3 281.488 2.844 10 0 CFAEHO CCN1CCC[C@](CN)([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357137 /nfs/dbraw/zinc/35/71/37/179357137.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 1 3 281.488 2.700 10 0 CFAEHO CCN1CCC[C@](CN)([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000086848154 179357139 /nfs/dbraw/zinc/35/71/39/179357139.db2.gz AMEWFQLAMQXODK-BBWFWOEESA-N 1 3 281.488 2.700 10 0 CFAEHO CCC[N@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846771 179354901 /nfs/dbraw/zinc/35/49/01/179354901.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 1 3 269.477 2.699 10 0 CFAEHO CCC[N@@H+](C(C)C)[C@@]1(CN)CCCN(C(C)C)CC1 ZINC000086846771 179354903 /nfs/dbraw/zinc/35/49/03/179354903.db2.gz HKDNJAKLPDHVHP-INIZCTEOSA-N 1 3 269.477 2.699 10 0 CFAEHO CCCN1CCC[C@@](CC(=O)OCC)([NH+]2CCCC2)CC1 ZINC000086868525 179360261 /nfs/dbraw/zinc/36/02/61/179360261.db2.gz OUAXFIXISFKESY-QGZVFWFLSA-N 1 3 296.455 2.670 10 0 CFAEHO CCC[N@@H+]1CCC[C@@](CC(=O)OCC)(N2CCCC2)CC1 ZINC000086868525 179360263 /nfs/dbraw/zinc/36/02/63/179360263.db2.gz OUAXFIXISFKESY-QGZVFWFLSA-N 1 3 296.455 2.670 10 0 CFAEHO CCC[N@H+]1CCC[C@@](CC(=O)OCC)(N2CCCC2)CC1 ZINC000086868525 179360265 /nfs/dbraw/zinc/36/02/65/179360265.db2.gz OUAXFIXISFKESY-QGZVFWFLSA-N 1 3 296.455 2.670 10 0 CFAEHO CCOC(=O)C[C@@]1(N2CCCCC2)CCC[N@H+](CC)CC1 ZINC000086868554 179360917 /nfs/dbraw/zinc/36/09/17/179360917.db2.gz DGAIZCVHKYTSJB-QGZVFWFLSA-N 1 3 296.455 2.670 10 0 CFAEHO CCOC(=O)C[C@@]1(N2CCCCC2)CCC[N@@H+](CC)CC1 ZINC000086868554 179360919 /nfs/dbraw/zinc/36/09/19/179360919.db2.gz DGAIZCVHKYTSJB-QGZVFWFLSA-N 1 3 296.455 2.670 10 0 CFAEHO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000110798663 375832148 /nfs/dbraw/zinc/83/21/48/375832148.db2.gz NSICKDOFAHKYGW-ZDUSSCGKSA-N 1 3 255.365 2.955 10 0 CFAEHO COc1ccc2c(c1)[C@H](N1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000380196548 382510758 /nfs/dbraw/zinc/51/07/58/382510758.db2.gz DVXQROPMOUZZCD-CSMYWGQOSA-N 1 3 274.408 2.599 10 0 CFAEHO COc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H](C)[C@](C)(CN)C1)CC2 ZINC000380196548 382510765 /nfs/dbraw/zinc/51/07/65/382510765.db2.gz DVXQROPMOUZZCD-CSMYWGQOSA-N 1 3 274.408 2.599 10 0 CFAEHO COc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(CN)C1)CC2 ZINC000380196548 382510767 /nfs/dbraw/zinc/51/07/67/382510767.db2.gz DVXQROPMOUZZCD-CSMYWGQOSA-N 1 3 274.408 2.599 10 0 CFAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CO)C1CCCCC1 ZINC000386079405 382582273 /nfs/dbraw/zinc/58/22/73/382582273.db2.gz BOCUVUBUSYYCFE-HYVNUMGLSA-N 1 3 282.472 2.828 10 0 CFAEHO N[C@@H](CCC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575437958 382771225 /nfs/dbraw/zinc/77/12/25/382771225.db2.gz DGPURXFJTOQRKN-QMMMGPOBSA-N 1 3 251.132 2.871 10 0 CFAEHO CC[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)CC(F)(F)F ZINC000575795012 382799218 /nfs/dbraw/zinc/79/92/18/382799218.db2.gz ASAWGCCRWSXBAD-WOPDTQHZSA-N 1 3 266.351 2.943 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCNC1 ZINC000567375362 383270286 /nfs/dbraw/zinc/27/02/86/383270286.db2.gz XBTRKCAAHRWFOM-XQLPTFJDSA-N 1 3 268.445 2.558 10 0 CFAEHO CC[C@](C)(O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249305471 383339386 /nfs/dbraw/zinc/33/93/86/383339386.db2.gz CWIDHPROISBXHH-IRXDYDNUSA-N 1 3 282.472 2.591 10 0 CFAEHO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000249305471 383339391 /nfs/dbraw/zinc/33/93/91/383339391.db2.gz CWIDHPROISBXHH-IRXDYDNUSA-N 1 3 282.472 2.591 10 0 CFAEHO CC[C@](C)(O)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000249305471 383339393 /nfs/dbraw/zinc/33/93/93/383339393.db2.gz CWIDHPROISBXHH-IRXDYDNUSA-N 1 3 282.472 2.591 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624308 383530835 /nfs/dbraw/zinc/53/08/35/383530835.db2.gz VCLIHZFMZQPKPM-MWQQHZPXSA-N 1 3 256.393 2.733 10 0 CFAEHO N[C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]12 ZINC000261624308 383530841 /nfs/dbraw/zinc/53/08/41/383530841.db2.gz VCLIHZFMZQPKPM-MWQQHZPXSA-N 1 3 256.393 2.733 10 0 CFAEHO [NH3+]C[C@@H]1CN(Cc2cccc(O)c2)C[C@H]1c1ccccc1 ZINC000261806236 383564285 /nfs/dbraw/zinc/56/42/85/383564285.db2.gz MDOYPYMDEUZFBF-AEFFLSMTSA-N 1 3 282.387 2.567 10 0 CFAEHO CCC[C@](C)(N)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000262668165 383633766 /nfs/dbraw/zinc/63/37/66/383633766.db2.gz LQOJZJRERYHFAX-WBVHZDCISA-N 1 3 297.487 2.521 10 0 CFAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381576506 393564631 /nfs/dbraw/zinc/56/46/31/393564631.db2.gz IQVUQDPNRRFWRO-YNEHKIRRSA-N 1 3 260.372 2.871 10 0 CFAEHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381668273 393565854 /nfs/dbraw/zinc/56/58/54/393565854.db2.gz KSQHKVXLXOIRKJ-OLZOCXBDSA-N 1 3 260.372 2.743 10 0 CFAEHO Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2ccccc2n1 ZINC000174684779 394379381 /nfs/dbraw/zinc/37/93/81/394379381.db2.gz WCOGYUQZUSEIIV-HNNXBMFYSA-N 1 3 299.418 2.802 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222818 397539847 /nfs/dbraw/zinc/53/98/47/397539847.db2.gz WYBLVYSWJKIGBF-USXIJHARSA-N 1 3 256.393 2.733 10 0 CFAEHO C[N@H+](CCc1ccccn1)[C@H]1CCCCCC[C@@H]1N ZINC000020260953 171117984 /nfs/dbraw/zinc/11/79/84/171117984.db2.gz HSSLHLFHBXAOGG-HOTGVXAUSA-N 1 3 261.413 2.606 10 0 CFAEHO C[N@@H+](CCc1ccccn1)[C@H]1CCCCCC[C@@H]1N ZINC000020260953 171117985 /nfs/dbraw/zinc/11/79/85/171117985.db2.gz HSSLHLFHBXAOGG-HOTGVXAUSA-N 1 3 261.413 2.606 10 0 CFAEHO C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccccc1CN ZINC000022155367 171361759 /nfs/dbraw/zinc/36/17/59/171361759.db2.gz AANVMEJQNPZUFS-AWEZNQCLSA-N 1 3 289.423 2.738 10 0 CFAEHO C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1ccccc1CN ZINC000022155367 171361760 /nfs/dbraw/zinc/36/17/60/171361760.db2.gz AANVMEJQNPZUFS-AWEZNQCLSA-N 1 3 289.423 2.738 10 0 CFAEHO CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000022156392 171362464 /nfs/dbraw/zinc/36/24/64/171362464.db2.gz PQOHIMQJTHBYAS-ZDUSSCGKSA-N 1 3 277.412 2.594 10 0 CFAEHO Cc1cc(C)c([C@H](CN)[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022222512 171378938 /nfs/dbraw/zinc/37/89/38/171378938.db2.gz UHOZBUZTQDVOFA-KRWDZBQOSA-N 1 3 289.467 2.638 10 0 CFAEHO Cc1cc(C)c([C@H](CN)[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022222512 171378939 /nfs/dbraw/zinc/37/89/39/171378939.db2.gz UHOZBUZTQDVOFA-KRWDZBQOSA-N 1 3 289.467 2.638 10 0 CFAEHO CN(C)CCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213759 173034454 /nfs/dbraw/zinc/03/44/54/173034454.db2.gz RBAVIXSFRCVGMJ-CQSZACIVSA-N 1 3 250.411 2.516 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037220833 173038887 /nfs/dbraw/zinc/03/88/87/173038887.db2.gz HNIQDQPCAOJFPA-SQWLQELKSA-N 1 3 261.413 2.853 10 0 CFAEHO CC(C)N(CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000037299590 173104168 /nfs/dbraw/zinc/10/41/68/173104168.db2.gz WRXMFXMJENKEBF-UHFFFAOYSA-N 1 3 257.381 2.794 10 0 CFAEHO CO[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000665283247 414249369 /nfs/dbraw/zinc/24/93/69/414249369.db2.gz JWQIKJWWBFZOBY-VNQPRFMTSA-N 1 3 268.445 2.559 10 0 CFAEHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)C1CCCCC1 ZINC000665283247 414249375 /nfs/dbraw/zinc/24/93/75/414249375.db2.gz JWQIKJWWBFZOBY-VNQPRFMTSA-N 1 3 268.445 2.559 10 0 CFAEHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(O)cc1 ZINC000038097920 174112717 /nfs/dbraw/zinc/11/27/17/174112717.db2.gz DZSZGCJYTXQKDF-INIZCTEOSA-N 1 3 262.397 2.917 10 0 CFAEHO CCc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000040750285 174394940 /nfs/dbraw/zinc/39/49/40/174394940.db2.gz OSFKEZNNYWGBAK-YOGCLGLASA-N 1 3 250.411 2.765 10 0 CFAEHO CC1CCN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041092306 174477729 /nfs/dbraw/zinc/47/77/29/174477729.db2.gz RHMHHBGIKAPBLE-XHSDSOJGSA-N 1 3 250.430 2.887 10 0 CFAEHO CC[NH+]1CCC(N(C)c2cccc(Cl)c2CNC)CC1 ZINC000042681054 174835747 /nfs/dbraw/zinc/83/57/47/174835747.db2.gz DNQROSDRCBIFMW-UHFFFAOYSA-N 1 3 295.858 2.980 10 0 CFAEHO C[C@H](N)[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043335502 175011042 /nfs/dbraw/zinc/01/10/42/175011042.db2.gz FVBRCOWVKDNKIC-WMLDXEAASA-N 1 3 291.439 2.618 10 0 CFAEHO C[NH+](C)C1CCN([C@@H](CN)c2ccc(Cl)c(F)c2)CC1 ZINC000043390353 175033799 /nfs/dbraw/zinc/03/37/99/175033799.db2.gz LNLNDPWVFGXLLQ-HNNXBMFYSA-N 1 3 299.821 2.505 10 0 CFAEHO CCCN1CCN([C@H]2CCCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805501 175107608 /nfs/dbraw/zinc/10/76/08/175107608.db2.gz SBNUOHQXOZFCEN-IRXDYDNUSA-N 1 3 281.488 2.715 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000043814125 175111852 /nfs/dbraw/zinc/11/18/52/175111852.db2.gz CELKJDOIMKNZLW-CYBMUJFWSA-N 1 3 262.397 2.962 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815436 175112127 /nfs/dbraw/zinc/11/21/27/175112127.db2.gz XEKWJFKYVLRXFU-NXHRZFHOSA-N 1 3 295.515 2.959 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815301 175112563 /nfs/dbraw/zinc/11/25/63/175112563.db2.gz FCILCAZJHYYHHT-MAUKXSAKSA-N 1 3 289.467 2.752 10 0 CFAEHO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CCCN(C)CC1 ZINC000043818457 175112767 /nfs/dbraw/zinc/11/27/67/175112767.db2.gz UHRXGCZORFLPFL-ROUUACIJSA-N 1 3 289.467 2.753 10 0 CFAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCC(OC)CC2)c1 ZINC000043890113 175117670 /nfs/dbraw/zinc/11/76/70/175117670.db2.gz VYZAQRPKHRHLBM-ZDUSSCGKSA-N 1 3 292.423 2.586 10 0 CFAEHO CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCN(C(C)C)CC1 ZINC000043897106 175119896 /nfs/dbraw/zinc/11/98/96/175119896.db2.gz MCBCPKOYNKXNPN-JKSUJKDBSA-N 1 3 269.477 2.569 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CCN(C(C)C)CC1 ZINC000043897185 175119922 /nfs/dbraw/zinc/11/99/22/175119922.db2.gz FZQQCRKVUGTCJA-BZSNNMDCSA-N 1 3 295.515 2.959 10 0 CFAEHO C[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccc(C)cc1C ZINC000043896953 175120131 /nfs/dbraw/zinc/12/01/31/175120131.db2.gz QPXFNWDKNZUKNH-SFHVURJKSA-N 1 3 289.467 2.590 10 0 CFAEHO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCN(C(C)C)CC1 ZINC000043897002 175120188 /nfs/dbraw/zinc/12/01/88/175120188.db2.gz KQJBPDDCSCIXEZ-ROUUACIJSA-N 1 3 289.467 2.752 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCN(C(C)(C)C)CC1 ZINC000043965442 175126778 /nfs/dbraw/zinc/12/67/78/175126778.db2.gz OTYDREYFEKYNPB-RDJZCZTQSA-N 1 3 289.467 2.752 10 0 CFAEHO CC[NH2+][C@@H](CN(CCN(C)C)CC(C)C)C(C)(C)C ZINC000043982174 175134287 /nfs/dbraw/zinc/13/42/87/175134287.db2.gz UULZAZLPFQPIHE-HNNXBMFYSA-N 1 3 271.493 2.530 10 0 CFAEHO Cc1ccc([C@@H](O)CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000044169874 175148486 /nfs/dbraw/zinc/14/84/86/175148486.db2.gz XFBZEHKYXCEZGT-SFHVURJKSA-N 1 3 290.451 2.610 10 0 CFAEHO NCCC[N@H+](CCOc1ccccc1)C1CCCC1 ZINC000044421440 175173609 /nfs/dbraw/zinc/17/36/09/175173609.db2.gz NOPSLHSODUHPLP-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO NCCC[N@@H+](CCOc1ccccc1)C1CCCC1 ZINC000044421440 175173610 /nfs/dbraw/zinc/17/36/10/175173610.db2.gz NOPSLHSODUHPLP-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO [NH3+]CCCN(CCOc1ccccc1)C1CCCC1 ZINC000044421440 175173612 /nfs/dbraw/zinc/17/36/12/175173612.db2.gz NOPSLHSODUHPLP-UHFFFAOYSA-N 1 3 262.397 2.659 10 0 CFAEHO CCCN1CCN([C@@H](C[NH3+])C[C@@H](C)c2ccccc2)CC1 ZINC000044427759 175175090 /nfs/dbraw/zinc/17/50/90/175175090.db2.gz NBHUCHRSIJOVLX-SJLPKXTDSA-N 1 3 289.467 2.535 10 0 CFAEHO COc1cccc(CNCCCC[N@H+](C)C(C)C)c1OC ZINC000044573218 175210464 /nfs/dbraw/zinc/21/04/64/175210464.db2.gz ZWRLYVSSVBUDEI-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO COc1cccc(CNCCCC[N@@H+](C)C(C)C)c1OC ZINC000044573218 175210466 /nfs/dbraw/zinc/21/04/66/175210466.db2.gz ZWRLYVSSVBUDEI-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)COCC)C1 ZINC000044690778 175233507 /nfs/dbraw/zinc/23/35/07/175233507.db2.gz SJKIZFIUYPRHAD-RRFJBIMHSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)COCC)C1 ZINC000044690778 175233508 /nfs/dbraw/zinc/23/35/08/175233508.db2.gz SJKIZFIUYPRHAD-RRFJBIMHSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)COCC)C1 ZINC000044690778 175233509 /nfs/dbraw/zinc/23/35/09/175233509.db2.gz SJKIZFIUYPRHAD-RRFJBIMHSA-N 1 3 256.434 2.512 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747332 175243083 /nfs/dbraw/zinc/24/30/83/175243083.db2.gz FBPSHUPMWPDWEY-ACJLOTCBSA-N 1 3 286.419 2.844 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000044747332 175243084 /nfs/dbraw/zinc/24/30/84/175243084.db2.gz FBPSHUPMWPDWEY-ACJLOTCBSA-N 1 3 286.419 2.844 10 0 CFAEHO C[C@H](N(C)Cc1ccc(F)cc1C(N)=[NH2+])C(C)(C)C ZINC000071267916 176101838 /nfs/dbraw/zinc/10/18/38/176101838.db2.gz CVNZWKJMONMOIW-JTQLQIEISA-N 1 3 265.376 2.976 10 0 CFAEHO CN(C)CC(C)(C)CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268511 176102410 /nfs/dbraw/zinc/10/24/10/176102410.db2.gz KKLUELCGILIRSL-UHFFFAOYSA-N 1 3 263.360 2.554 10 0 CFAEHO CC(C)[C@H](CN(C)C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268924 176102728 /nfs/dbraw/zinc/10/27/28/176102728.db2.gz IPWYHDXSLKFIRW-AWEZNQCLSA-N 1 3 263.360 2.553 10 0 CFAEHO c1ccc(COCCCC[NH2+][C@H]2CCCNCC2)cc1 ZINC000390554425 262215704 /nfs/dbraw/zinc/21/57/04/262215704.db2.gz FWSIQDDZGLKAJF-KRWDZBQOSA-N 1 3 276.424 2.715 10 0 CFAEHO C[NH2+]C[C@@H]1CCCN(c2cc(C)nc3ccccc32)C1 ZINC000040601838 277275929 /nfs/dbraw/zinc/27/59/29/277275929.db2.gz VMSVJDITAPXWIV-AWEZNQCLSA-N 1 3 269.392 2.979 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261624168 281017112 /nfs/dbraw/zinc/01/71/12/281017112.db2.gz VAJWXVLSZRMPEZ-ARLBYUKCSA-N 1 3 262.372 2.946 10 0 CFAEHO C[C@@H](NCCc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000580999305 325081325 /nfs/dbraw/zinc/08/13/25/325081325.db2.gz NRMRPMVGIPGNKQ-MNOVXSKESA-N 1 3 272.845 2.922 10 0 CFAEHO CC(C)C[C@@H]1CSC(N[C@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502362 519275400 /nfs/dbraw/zinc/27/54/00/519275400.db2.gz FQIBQBRLBSLWKF-ZIAGYGMSSA-N 1 3 283.485 2.968 10 0 CFAEHO CC(C)CN(CCN(C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052503302 519716072 /nfs/dbraw/zinc/71/60/72/519716072.db2.gz LIXBWTGBBXJACU-OAHLLOKOSA-N 1 3 271.493 2.530 10 0 CFAEHO CCCNCC1(C[N@H+](CCC)C(C)C)CCOCC1 ZINC000052181407 519910115 /nfs/dbraw/zinc/91/01/15/519910115.db2.gz RPGQSZTUNRKAFF-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+](CCC)C(C)C)CCOCC1 ZINC000052181407 519910116 /nfs/dbraw/zinc/91/01/16/519910116.db2.gz RPGQSZTUNRKAFF-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCC[NH2+]CC1(CN(CCC)C(C)C)CCOCC1 ZINC000052181407 519910122 /nfs/dbraw/zinc/91/01/22/519910122.db2.gz RPGQSZTUNRKAFF-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCNCC1(C[N@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197909 519912162 /nfs/dbraw/zinc/91/21/62/519912162.db2.gz WWWZOAIBWOXPAU-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CCNCC1(C[N@@H+](C)CC2CCCCC2)CCOCC1 ZINC000052197909 519912167 /nfs/dbraw/zinc/91/21/67/519912167.db2.gz WWWZOAIBWOXPAU-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CC[NH2+]CC1(CN(C)CC2CCCCC2)CCOCC1 ZINC000052197909 519912168 /nfs/dbraw/zinc/91/21/68/519912168.db2.gz WWWZOAIBWOXPAU-UHFFFAOYSA-N 1 3 282.472 2.905 10 0 CFAEHO CCC[NH2+]Cc1ccoc1CN(CC)[C@H](C)COC ZINC000052504763 519959602 /nfs/dbraw/zinc/95/96/02/519959602.db2.gz DCLRMOSFGQIAKI-CYBMUJFWSA-N 1 3 268.401 2.636 10 0 CFAEHO CCCCCN(C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052181469 520148261 /nfs/dbraw/zinc/14/82/61/520148261.db2.gz RIYNTUNOYYIDLO-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCCCCN(C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181471 520149920 /nfs/dbraw/zinc/14/99/20/520149920.db2.gz LNOHWVZOJCWNMO-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CC[C@@H](C)C[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181448 521969361 /nfs/dbraw/zinc/96/93/61/521969361.db2.gz PSBIHUYZMQIGQV-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@@H](C)C[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181448 521969371 /nfs/dbraw/zinc/96/93/71/521969371.db2.gz PSBIHUYZMQIGQV-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[C@@H](C)CN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181448 521969381 /nfs/dbraw/zinc/96/93/81/521969381.db2.gz PSBIHUYZMQIGQV-CQSZACIVSA-N 1 3 268.445 2.513 10 0 CFAEHO CNCc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000052420871 522106532 /nfs/dbraw/zinc/10/65/32/522106532.db2.gz XDCKUFAJXSTZOJ-VXGBXAGGSA-N 1 3 250.386 2.785 10 0 CFAEHO CC(C)C[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443341 519747668 /nfs/dbraw/zinc/74/76/68/519747668.db2.gz GEYMPAUOSTYHQT-UHFFFAOYSA-N 1 3 278.465 2.981 10 0 CFAEHO CC(C)C[NH2+]Cc1coc(CN2CC[C@@H](C)C2)c1 ZINC000052484546 519748360 /nfs/dbraw/zinc/74/83/60/519748360.db2.gz OBYUIPMHYGWXEL-CYBMUJFWSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCN1CCN(Cc2ccccc2C[NH2+]C(C)C)CC1 ZINC000052422081 519859283 /nfs/dbraw/zinc/85/92/83/519859283.db2.gz OXCDAIJEFBVQPX-UHFFFAOYSA-N 1 3 289.467 2.712 10 0 CFAEHO CCC[NH2+]CCC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417332 519913129 /nfs/dbraw/zinc/91/31/29/519913129.db2.gz IQUKXRLHBPVORV-QGZVFWFLSA-N 1 3 289.467 2.977 10 0 CFAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC)Cc2ccccc2)O1 ZINC000052443812 519950772 /nfs/dbraw/zinc/95/07/72/519950772.db2.gz ZCOUURLJQUYKJP-IRXDYDNUSA-N 1 3 276.424 2.666 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)CC(C)C ZINC000052452646 520008985 /nfs/dbraw/zinc/00/89/85/520008985.db2.gz JFYSAZSYTSAWSU-UHFFFAOYSA-N 1 3 264.413 2.763 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)CC(C)C ZINC000052452646 520008990 /nfs/dbraw/zinc/00/89/90/520008990.db2.gz JFYSAZSYTSAWSU-UHFFFAOYSA-N 1 3 264.413 2.763 10 0 CFAEHO CCNCc1ccccc1OCC[N@H+](C)[C@H]1CCSC1 ZINC000052453329 520009332 /nfs/dbraw/zinc/00/93/32/520009332.db2.gz AVYHWVBJTUHOQL-HNNXBMFYSA-N 1 3 294.464 2.612 10 0 CFAEHO CCNCc1ccccc1OCC[N@@H+](C)[C@H]1CCSC1 ZINC000052453329 520009337 /nfs/dbraw/zinc/00/93/37/520009337.db2.gz AVYHWVBJTUHOQL-HNNXBMFYSA-N 1 3 294.464 2.612 10 0 CFAEHO CCCCC[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181473 520149583 /nfs/dbraw/zinc/14/95/83/520149583.db2.gz BYCAOROLIPGDDA-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCCC[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181473 520149589 /nfs/dbraw/zinc/14/95/89/520149589.db2.gz BYCAOROLIPGDDA-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCCCN(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181473 520149596 /nfs/dbraw/zinc/14/95/96/520149596.db2.gz BYCAOROLIPGDDA-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(CC)[C@@H](C)COC ZINC000053871484 520219506 /nfs/dbraw/zinc/21/95/06/520219506.db2.gz SKNDBYPHZUXIPY-JONQDZQNSA-N 1 3 270.461 2.758 10 0 CFAEHO CC1(C)CC[NH+](CCC(=O)Nc2ccccc2CN)CC1 ZINC000061818773 520377817 /nfs/dbraw/zinc/37/78/17/520377817.db2.gz JNCWTNOCSCUGKU-UHFFFAOYSA-N 1 3 289.423 2.596 10 0 CFAEHO CCC[C@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181889 521033001 /nfs/dbraw/zinc/03/30/01/521033001.db2.gz DKIILBSTWKNBSK-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC[C@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052181889 521033009 /nfs/dbraw/zinc/03/30/09/521033009.db2.gz DKIILBSTWKNBSK-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO CCC[C@H](C)N(C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181889 521033015 /nfs/dbraw/zinc/03/30/15/521033015.db2.gz DKIILBSTWKNBSK-AWEZNQCLSA-N 1 3 268.445 2.656 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCN(CC(C)C)CC1 ZINC000069380877 521119941 /nfs/dbraw/zinc/11/99/41/521119941.db2.gz HBRHDMUIEGVKGA-INIZCTEOSA-N 1 3 269.477 2.558 10 0 CFAEHO CCCN(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181337 521483890 /nfs/dbraw/zinc/48/38/90/521483890.db2.gz AHOKEBAJZQLJKV-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443477 521997063 /nfs/dbraw/zinc/99/70/63/521997063.db2.gz DHIALLYVQZEVMV-CQSZACIVSA-N 1 3 295.858 2.850 10 0 CFAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418949 521998969 /nfs/dbraw/zinc/99/89/69/521998969.db2.gz YDZVPNCMAKSGJF-MRXNPFEDSA-N 1 3 275.440 2.505 10 0 CFAEHO C[NH2+]CCC[C@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000052376275 522000061 /nfs/dbraw/zinc/00/00/61/522000061.db2.gz OBMGIJXKEHCKAN-INIZCTEOSA-N 1 3 289.467 2.814 10 0 CFAEHO C[NH2+]C[C@H](O[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000061702385 522078173 /nfs/dbraw/zinc/07/81/73/522078173.db2.gz BGHBRXWFFQSDBK-SJORKVTESA-N 1 3 276.424 2.522 10 0 CFAEHO C[NH2+]C[C@H]1CC[C@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346393 522096937 /nfs/dbraw/zinc/09/69/37/522096937.db2.gz ADVQEQXWYCVPGH-HUUCEWRRSA-N 1 3 282.815 2.539 10 0 CFAEHO CNCc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)oc1C ZINC000052420590 522107102 /nfs/dbraw/zinc/10/71/02/522107102.db2.gz FMXDCHJQVUMENX-RYUDHWBXSA-N 1 3 250.386 2.785 10 0 CFAEHO COC1CCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052455478 522707200 /nfs/dbraw/zinc/70/72/00/522707200.db2.gz YEZFUJZARZQUJD-UHFFFAOYSA-N 1 3 280.412 2.779 10 0 CFAEHO CC[C@H]1CCC[N@@H+]1CCOc1ccccc1CNC ZINC000052375103 523107464 /nfs/dbraw/zinc/10/74/64/523107464.db2.gz VDTVFLFRBDSZDI-HNNXBMFYSA-N 1 3 262.397 2.659 10 0 CFAEHO CC[C@H]1CCC[N@H+]1CCOc1ccccc1CNC ZINC000052375103 523107477 /nfs/dbraw/zinc/10/74/77/523107477.db2.gz VDTVFLFRBDSZDI-HNNXBMFYSA-N 1 3 262.397 2.659 10 0 CFAEHO CC[C@@H]1CCCN(Cc2cc(C[NH3+])ccc2OC)C1 ZINC000050124917 523253652 /nfs/dbraw/zinc/25/36/52/523253652.db2.gz XJKIMPXFXZLDFI-CYBMUJFWSA-N 1 3 262.397 2.776 10 0 CFAEHO CC[C@@H]1CO[C@@H](C)CN1CCCC[NH2+]CC(C)C ZINC000052570769 523505925 /nfs/dbraw/zinc/50/59/25/523505925.db2.gz CLXZZSVIXMYVTR-LSDHHAIUSA-N 1 3 256.434 2.512 10 0 CFAEHO Cc1ccc(C)c([C@@H]([NH3+])CN2CCN(C(C)(C)C)CC2)c1 ZINC000048927567 524203554 /nfs/dbraw/zinc/20/35/54/524203554.db2.gz KPUYYHXLTWHNJV-KRWDZBQOSA-N 1 3 289.467 2.719 10 0 CFAEHO Cc1ccccc1C[N@@H+](C)[C@@]1(CN)CCCSC1 ZINC000061590114 525130829 /nfs/dbraw/zinc/13/08/29/525130829.db2.gz DWWWMGNQUCEVDG-OAHLLOKOSA-N 1 3 264.438 2.651 10 0 CFAEHO Cc1ccccc1C[N@H+](C)[C@@]1(CN)CCCSC1 ZINC000061590114 525130837 /nfs/dbraw/zinc/13/08/37/525130837.db2.gz DWWWMGNQUCEVDG-OAHLLOKOSA-N 1 3 264.438 2.651 10 0 CFAEHO C[C@H](NCCCC[NH+](C)C)c1c(F)cccc1F ZINC000045663098 525332263 /nfs/dbraw/zinc/33/22/63/525332263.db2.gz PXUUOYJGYAEWJT-NSHDSACASA-N 1 3 256.340 2.957 10 0 CFAEHO Cc1nc([C@H](C)N[C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000396442009 574355259 /nfs/dbraw/zinc/35/52/59/574355259.db2.gz AAGFDMJTAFJNGQ-QWRGUYRKSA-N 1 3 267.442 2.832 10 0 CFAEHO C[C@]1(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000261697416 618285283 /nfs/dbraw/zinc/28/52/83/618285283.db2.gz CAEUMVPNBPGADH-KSZLIROESA-N 1 3 288.435 2.574 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089148448 650829064 /nfs/dbraw/zinc/82/90/64/650829064.db2.gz LUMZPMLCUIDXBF-DRCTWCGVSA-N 1 3 254.324 2.743 10 0 CFAEHO CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(C)cc21 ZINC000082509310 178075191 /nfs/dbraw/zinc/07/51/91/178075191.db2.gz GJRUCBXQAKZOTC-OAHLLOKOSA-N 1 3 274.408 2.893 10 0 CFAEHO CCN(CC)Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000079515495 539427285 /nfs/dbraw/zinc/42/72/85/539427285.db2.gz MRKBWILTGNEOBK-QGZVFWFLSA-N 1 3 289.423 2.609 10 0 CFAEHO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC000086817220 179345390 /nfs/dbraw/zinc/34/53/90/179345390.db2.gz KBLLZMCCJXEKGR-ZIAGYGMSSA-N 1 3 262.397 2.830 10 0 CFAEHO CCCN1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356428 /nfs/dbraw/zinc/35/64/28/179356428.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 1 3 283.504 2.946 10 0 CFAEHO CCCN1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848184 179356429 /nfs/dbraw/zinc/35/64/29/179356429.db2.gz VQJHXIXEKZMLCO-RDJZCZTQSA-N 1 3 283.504 2.946 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@H+](C)C(CC)CC)CC1 ZINC000086847167 179356832 /nfs/dbraw/zinc/35/68/32/179356832.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO CCCN1CCC[C@@](CN)([N@@H+](C)C(CC)CC)CC1 ZINC000086847167 179356834 /nfs/dbraw/zinc/35/68/34/179356834.db2.gz ONTDVKODBJNQHW-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400400982 348572697 /nfs/dbraw/zinc/57/26/97/348572697.db2.gz KRQFIYCROAAPKA-FIQHERPVSA-N 1 3 264.335 2.695 10 0 CFAEHO CCOCCN(CC)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000104194381 185923929 /nfs/dbraw/zinc/92/39/29/185923929.db2.gz GVYFFMNVQURVGK-GJZGRUSLSA-N 1 3 256.434 2.513 10 0 CFAEHO C[C@H](NC[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566004158 290340308 /nfs/dbraw/zinc/34/03/08/290340308.db2.gz YKNQHEZOSQSTFJ-XQQFMLRXSA-N 1 3 260.372 2.790 10 0 CFAEHO CC1CCC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629667130 354884364 /nfs/dbraw/zinc/88/43/64/354884364.db2.gz RYUTZXVXOUBFDA-STONLHKKSA-N 1 3 250.430 2.744 10 0 CFAEHO Cc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000631839433 355602956 /nfs/dbraw/zinc/60/29/56/355602956.db2.gz GGTBHWBVUCSIOJ-WFASDCNBSA-N 1 3 269.392 2.570 10 0 CFAEHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390914357 540985597 /nfs/dbraw/zinc/98/55/97/540985597.db2.gz SDOBNXXDEYJYOG-VXGBXAGGSA-N 1 3 260.372 2.790 10 0 CFAEHO CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCCCC1(F)F ZINC000390914357 540985599 /nfs/dbraw/zinc/98/55/99/540985599.db2.gz SDOBNXXDEYJYOG-VXGBXAGGSA-N 1 3 260.372 2.790 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738181 541029458 /nfs/dbraw/zinc/02/94/58/541029458.db2.gz ZXCQKXJVYPNAMJ-BYCMXARLSA-N 1 3 280.412 2.587 10 0 CFAEHO C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000400649286 299376669 /nfs/dbraw/zinc/37/66/69/299376669.db2.gz PPDBWGQPEPPETD-IRCOFANPSA-N 1 3 264.335 2.838 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000400649286 299376671 /nfs/dbraw/zinc/37/66/71/299376671.db2.gz PPDBWGQPEPPETD-IRCOFANPSA-N 1 3 264.335 2.838 10 0 CFAEHO c1cn(CCC[NH2+][C@@H]2CCCNCC2)c2ccccc12 ZINC000133594063 377941947 /nfs/dbraw/zinc/94/19/47/377941947.db2.gz UKWWMSJZHOTYDI-MRXNPFEDSA-N 1 3 271.408 2.763 10 0 CFAEHO C[C@H](NCCCn1ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400432515 380858573 /nfs/dbraw/zinc/85/85/73/380858573.db2.gz LMQRWRGWYXBPNL-GOEBONIOSA-N 1 3 271.408 2.619 10 0 CFAEHO C[C@@H](NCCCn1ccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400432518 380859015 /nfs/dbraw/zinc/85/90/15/380859015.db2.gz LMQRWRGWYXBPNL-ZBFHGGJFSA-N 1 3 271.408 2.619 10 0 CFAEHO C[C@H](NCCc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000400398929 380859434 /nfs/dbraw/zinc/85/94/34/380859434.db2.gz PWJJXBRXCZWDSE-WCQYABFASA-N 1 3 297.240 2.579 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400428540 380860022 /nfs/dbraw/zinc/86/00/22/380860022.db2.gz ZJVBENCXABWMOQ-DRZSPHRISA-N 1 3 252.427 2.575 10 0 CFAEHO Cc1ccc2nccc(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000185502496 381651124 /nfs/dbraw/zinc/65/11/24/381651124.db2.gz IAOBJKXTCOSCIK-HNNXBMFYSA-N 1 3 299.418 2.802 10 0 CFAEHO CN(C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000300280999 382058562 /nfs/dbraw/zinc/05/85/62/382058562.db2.gz YOKDBQMJUITVJA-GJZGRUSLSA-N 1 3 266.429 2.552 10 0 CFAEHO C[C@@H]1CN([C@@H]2CCc3cc(F)ccc32)C[C@@]1(C)C[NH3+] ZINC000388305445 382605400 /nfs/dbraw/zinc/60/54/00/382605400.db2.gz BCHPIQPUMYUJGK-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(F)ccc32)C[C@@]1(C)CN ZINC000388305445 382605405 /nfs/dbraw/zinc/60/54/05/382605405.db2.gz BCHPIQPUMYUJGK-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)ccc32)C[C@@]1(C)CN ZINC000388305445 382605408 /nfs/dbraw/zinc/60/54/08/382605408.db2.gz BCHPIQPUMYUJGK-HFBAOOFYSA-N 1 3 262.372 2.730 10 0 CFAEHO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000233305599 382871319 /nfs/dbraw/zinc/87/13/19/382871319.db2.gz YNWRJFLQSHEONA-CZUORRHYSA-N 1 3 259.397 2.829 10 0 CFAEHO C[C@@H]1C[C@@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423097657 383042650 /nfs/dbraw/zinc/04/26/50/383042650.db2.gz JOVJYQFAHWNSQU-LKFLVWNSSA-N 1 3 274.408 2.924 10 0 CFAEHO C[C@@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCCNC1 ZINC000520564847 383262960 /nfs/dbraw/zinc/26/29/60/383262960.db2.gz DPYYZIFDWKBJOB-CABCVRRESA-N 1 3 268.445 2.704 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]12 ZINC000261588737 383522444 /nfs/dbraw/zinc/52/24/44/383522444.db2.gz KIKOSWKDRVPLMF-BRWVUGGUSA-N 1 3 256.393 2.733 10 0 CFAEHO Cc1ccccc1C[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261787705 383561785 /nfs/dbraw/zinc/56/17/85/383561785.db2.gz OGADVPBCHLDRCK-CVEARBPZSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000261787705 383561790 /nfs/dbraw/zinc/56/17/90/383561790.db2.gz OGADVPBCHLDRCK-CVEARBPZSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261787705 383561793 /nfs/dbraw/zinc/56/17/93/383561793.db2.gz OGADVPBCHLDRCK-CVEARBPZSA-N 1 3 260.425 2.857 10 0 CFAEHO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CCCNC1 ZINC000643495103 384661293 /nfs/dbraw/zinc/66/12/93/384661293.db2.gz JGMJHVNYULQNAL-HBNTYKKESA-N 1 3 252.324 2.553 10 0 CFAEHO CC[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@@H]1[NH3+] ZINC000381645265 393565777 /nfs/dbraw/zinc/56/57/77/393565777.db2.gz XQVDCAQKSKXTHS-AGIUHOORSA-N 1 3 260.372 2.871 10 0 CFAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2c(C)nn(CC)c2C)C1 ZINC000045171402 393569880 /nfs/dbraw/zinc/56/98/80/393569880.db2.gz ZOXGKNXTKBCFBQ-IUODEOHRSA-N 1 3 278.444 2.512 10 0 CFAEHO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1C ZINC000045171433 393569911 /nfs/dbraw/zinc/56/99/11/393569911.db2.gz IBMUHBJZCRLPCM-DOMZBBRYSA-N 1 3 290.455 2.655 10 0 CFAEHO Cc1c[nH+]ccc1NC[C@@H]1NCCc2ccccc21 ZINC000261619190 393948957 /nfs/dbraw/zinc/94/89/57/393948957.db2.gz ULTYOKXTZGEKFX-INIZCTEOSA-N 1 3 253.349 2.689 10 0 CFAEHO Cc1ccc([C@H](C)N[C@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959980 543024631 /nfs/dbraw/zinc/02/46/31/543024631.db2.gz GIPYWHMEJOLKRM-OLZOCXBDSA-N 1 3 250.386 2.969 10 0 CFAEHO C[C@@H]1C[NH2+]C[C@H](NC2CCC(C(F)(F)F)CC2)C1 ZINC000401785848 413171230 /nfs/dbraw/zinc/17/12/30/413171230.db2.gz ZQEOMCPQBMCPLS-WNYYMSAVSA-N 1 3 264.335 2.695 10 0 CFAEHO c1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000133562564 304855412 /nfs/dbraw/zinc/85/54/12/304855412.db2.gz PRSJKXFWJKHMNR-QZTJIDSGSA-N 1 3 287.451 2.555 10 0 CFAEHO CC(C)Cc1ccc(OCCC[NH2+]CCCN)cc1 ZINC000005384338 170092923 /nfs/dbraw/zinc/09/29/23/170092923.db2.gz QWESKZVHMHSIBR-UHFFFAOYSA-N 1 3 264.413 2.592 10 0 CFAEHO CC(C)Cc1ccc(OCCCNCCC[NH3+])cc1 ZINC000005384338 170092925 /nfs/dbraw/zinc/09/29/25/170092925.db2.gz QWESKZVHMHSIBR-UHFFFAOYSA-N 1 3 264.413 2.592 10 0 CFAEHO CCCN(CCC)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022153889 171360587 /nfs/dbraw/zinc/36/05/87/171360587.db2.gz VGOOTXNWYAPONH-CYBMUJFWSA-N 1 3 277.412 2.594 10 0 CFAEHO CC[C@H]1CSC(NCC[NH+](C(C)C)C(C)C)=N1 ZINC000035294337 172105960 /nfs/dbraw/zinc/10/59/60/172105960.db2.gz UHEZCTJGECCSRY-LBPRGKRZSA-N 1 3 257.447 2.576 10 0 CFAEHO COc1ccc([C@@H](NCCC[NH+](C)C)C2CC2)cc1 ZINC000037213679 173034637 /nfs/dbraw/zinc/03/46/37/173034637.db2.gz HRDGMLOXYZLOER-INIZCTEOSA-N 1 3 262.397 2.688 10 0 CFAEHO CCCC[C@H](CC)CN1CCN(CCCCC[NH3+])CC1 ZINC000043454543 175049938 /nfs/dbraw/zinc/04/99/38/175049938.db2.gz ZXVJOMTZGBFUHP-KRWDZBQOSA-N 1 3 283.504 2.949 10 0 CFAEHO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CCC)CC1 ZINC000043805616 175107399 /nfs/dbraw/zinc/10/73/99/175107399.db2.gz HPVDIMYXRWTQRE-IAGOWNOFSA-N 1 3 281.488 2.715 10 0 CFAEHO COc1ccc(CNCCCC[N@H+](C)C(C)C)c(OC)c1 ZINC000044573226 175210276 /nfs/dbraw/zinc/21/02/76/175210276.db2.gz DXOPTYBAJWTHFO-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO COc1ccc(CNCCCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000044573226 175210277 /nfs/dbraw/zinc/21/02/77/175210277.db2.gz DXOPTYBAJWTHFO-UHFFFAOYSA-N 1 3 294.439 2.914 10 0 CFAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747325 175243271 /nfs/dbraw/zinc/24/32/71/175243271.db2.gz OPLUBJLDXYTSPT-SUMWQHHRSA-N 1 3 274.408 2.701 10 0 CFAEHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747325 175243273 /nfs/dbraw/zinc/24/32/73/175243273.db2.gz OPLUBJLDXYTSPT-SUMWQHHRSA-N 1 3 274.408 2.701 10 0 CFAEHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747325 175243274 /nfs/dbraw/zinc/24/32/74/175243274.db2.gz OPLUBJLDXYTSPT-SUMWQHHRSA-N 1 3 274.408 2.701 10 0 CFAEHO CCCC(C[NH3+])(CCC)C(=O)NC[C@H](C)N1CCCCC1 ZINC000044995386 175287394 /nfs/dbraw/zinc/28/73/94/175287394.db2.gz RTMMYMAYYXVOPY-HNNXBMFYSA-N 1 3 297.487 2.522 10 0 CFAEHO C[N@H+](CCCC(=O)Nc1cccc(CN)c1)CC(C)(C)C ZINC000045068507 175299867 /nfs/dbraw/zinc/29/98/67/175299867.db2.gz DFMLLLRGSPIORW-UHFFFAOYSA-N 1 3 291.439 2.842 10 0 CFAEHO C[N@@H+](CCCC(=O)Nc1cccc(CN)c1)CC(C)(C)C ZINC000045068507 175299869 /nfs/dbraw/zinc/29/98/69/175299869.db2.gz DFMLLLRGSPIORW-UHFFFAOYSA-N 1 3 291.439 2.842 10 0 CFAEHO Cc1nn(C)c(C)c1[C@H](C)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045171895 175320852 /nfs/dbraw/zinc/32/08/52/175320852.db2.gz AXMWLUSIDFOXQS-RJPYNODJSA-N 1 3 290.455 2.560 10 0 CFAEHO Cc1nn(C)c(C)c1[C@H](C)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045171895 175320853 /nfs/dbraw/zinc/32/08/53/175320853.db2.gz AXMWLUSIDFOXQS-RJPYNODJSA-N 1 3 290.455 2.560 10 0 CFAEHO COc1ccc2c(c1)CCN(CC[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC000575141525 335072058 /nfs/dbraw/zinc/07/20/58/335072058.db2.gz IPDIIVRZDYCWMI-CZIWCDLHSA-N 1 3 288.435 2.961 10 0 CFAEHO CCC[C@H](C)N(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267693 176101217 /nfs/dbraw/zinc/10/12/17/176101217.db2.gz DSNHVYLGBACFNI-JTQLQIEISA-N 1 3 251.349 2.730 10 0 CFAEHO CC[C@@H](C)CN(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267649 176101301 /nfs/dbraw/zinc/10/13/01/176101301.db2.gz REWMPSCYVRKYRR-SNVBAGLBSA-N 1 3 251.349 2.588 10 0 CFAEHO CC[C@H]1CN(CCC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000071401700 176153813 /nfs/dbraw/zinc/15/38/13/176153813.db2.gz ZACSHDZRRXZNSX-HOTGVXAUSA-N 1 3 262.397 2.577 10 0 CFAEHO COc1ccc(CC[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000076519267 177032471 /nfs/dbraw/zinc/03/24/71/177032471.db2.gz FBJRIFDIWHCMFN-INIZCTEOSA-N 1 3 276.424 2.558 10 0 CFAEHO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1 ZINC000261825598 274711734 /nfs/dbraw/zinc/71/17/34/274711734.db2.gz UJCCHRKOVIRPDU-DZGCQCFKSA-N 1 3 267.376 2.731 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CCCNC1 ZINC000566004158 290340306 /nfs/dbraw/zinc/34/03/06/290340306.db2.gz YKNQHEZOSQSTFJ-XQQFMLRXSA-N 1 3 260.372 2.790 10 0 CFAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCOc2ccccc21 ZINC000227118657 295251342 /nfs/dbraw/zinc/25/13/42/295251342.db2.gz OOCKYVGIIUAGEP-NWANDNLSSA-N 1 3 260.381 2.617 10 0 CFAEHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)s1 ZINC000582295403 325193216 /nfs/dbraw/zinc/19/32/16/325193216.db2.gz HFXXHTGOXWWLMF-UBHSHLNASA-N 1 3 266.454 2.965 10 0 CFAEHO CC(C)[NH2+]Cc1occc1CN(C)[C@H]1CCSC1 ZINC000052453283 519730189 /nfs/dbraw/zinc/73/01/89/519730189.db2.gz PTWDGTJWFUWACT-ZDUSSCGKSA-N 1 3 268.426 2.715 10 0 CFAEHO CC(C)C[NH2+]CCC[C@@H](C)N(C)Cc1ccccn1 ZINC000052478861 519743578 /nfs/dbraw/zinc/74/35/78/519743578.db2.gz IITFECKWHDKYNY-OAHLLOKOSA-N 1 3 263.429 2.928 10 0 CFAEHO CCCN1CCN([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052421977 519859789 /nfs/dbraw/zinc/85/97/89/519859789.db2.gz MSQJQRHJEHRBBN-HNNXBMFYSA-N 1 3 269.477 2.571 10 0 CFAEHO CC(C)C[NH2+]CCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000052543373 519743408 /nfs/dbraw/zinc/74/34/08/519743408.db2.gz URNSRFUCDZWDJH-CQSZACIVSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2ccccc2)O1 ZINC000052417544 519745167 /nfs/dbraw/zinc/74/51/67/519745167.db2.gz MDTLGPDFWUFLCE-ZWKOTPCHSA-N 1 3 290.451 2.912 10 0 CFAEHO CC(C)C[NH2+]Cc1cccc(COCCN(C)C)c1 ZINC000052669522 519747419 /nfs/dbraw/zinc/74/74/19/519747419.db2.gz JQQYBHICDMGHMF-UHFFFAOYSA-N 1 3 264.413 2.510 10 0 CFAEHO CCC1CCC([N@H+](C)CC2(CNC)CCOCC2)CC1 ZINC000052197837 519853175 /nfs/dbraw/zinc/85/31/75/519853175.db2.gz VJTSYJIGSHQTOE-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC1CCC([N@@H+](C)CC2(CNC)CCOCC2)CC1 ZINC000052197837 519853178 /nfs/dbraw/zinc/85/31/78/519853178.db2.gz VJTSYJIGSHQTOE-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCC1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000050893890 519902175 /nfs/dbraw/zinc/90/21/75/519902175.db2.gz LPXOOTWVJVEXGR-UHFFFAOYSA-N 1 3 259.397 2.983 10 0 CFAEHO CCC[NH2+]CC1(CN2CCN(C(C)(C)C)CC2)CCCC1 ZINC000051257964 519910736 /nfs/dbraw/zinc/91/07/36/519910736.db2.gz ACFNVRAHLNVONP-UHFFFAOYSA-N 1 3 295.515 2.963 10 0 CFAEHO CCNCC1(C[N@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181378 519913158 /nfs/dbraw/zinc/91/31/58/519913158.db2.gz CCKCIRVQYNCCOM-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCNCC1(C[N@@H+](CC)[C@@H](C)CC)CCOCC1 ZINC000052181378 519913161 /nfs/dbraw/zinc/91/31/61/519913161.db2.gz CCKCIRVQYNCCOM-AWEZNQCLSA-N 1 3 256.434 2.513 10 0 CFAEHO CC[NH2+]Cc1ccccc1CN(C)CCc1ccccn1 ZINC000052423991 520005584 /nfs/dbraw/zinc/00/55/84/520005584.db2.gz LIYOMAFVTDJLKY-UHFFFAOYSA-N 1 3 283.419 2.866 10 0 CFAEHO CCNCc1occc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420654 520031045 /nfs/dbraw/zinc/03/10/45/520031045.db2.gz AJIXVWDCRVQVGA-CHWSQXEVSA-N 1 3 250.386 2.867 10 0 CFAEHO CCCCN(CC)CC1(C[NH2+]CCC)CCOCC1 ZINC000052180974 520475538 /nfs/dbraw/zinc/47/55/38/520475538.db2.gz OKVYRWURHSBQIA-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCCC[N@H+](CC)CC1(CNCCC)CCOCC1 ZINC000052180974 520475546 /nfs/dbraw/zinc/47/55/46/520475546.db2.gz OKVYRWURHSBQIA-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCCC[N@@H+](CC)CC1(CNCCC)CCOCC1 ZINC000052180974 520475550 /nfs/dbraw/zinc/47/55/50/520475550.db2.gz OKVYRWURHSBQIA-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO CCC[C@H](C)[NH2+]C[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075318 521059884 /nfs/dbraw/zinc/05/98/84/521059884.db2.gz ISWAMIYRAOJQBO-JYJNAYRXSA-N 1 3 269.477 2.569 10 0 CFAEHO CCN(Cc1cc(C[NH2+]C(C)C)co1)[C@@H](C)COC ZINC000052504909 521290148 /nfs/dbraw/zinc/29/01/48/521290148.db2.gz XTVSVFCAUTYWIH-ZDUSSCGKSA-N 1 3 268.401 2.634 10 0 CFAEHO CCC[N@H+](CC1(CNCC)CCOCC1)C(C)C ZINC000052181406 521618739 /nfs/dbraw/zinc/61/87/39/521618739.db2.gz STALBRUEAVHDSZ-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CCC[N@@H+](CC1(CNCC)CCOCC1)C(C)C ZINC000052181406 521618742 /nfs/dbraw/zinc/61/87/42/521618742.db2.gz STALBRUEAVHDSZ-UHFFFAOYSA-N 1 3 256.434 2.513 10 0 CFAEHO CN(C)Cc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000061571786 521935224 /nfs/dbraw/zinc/93/52/24/521935224.db2.gz BDPIXRMWXGVDGH-HNNXBMFYSA-N 1 3 264.438 2.733 10 0 CFAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccc(Cl)cc2)O1 ZINC000052346394 522058812 /nfs/dbraw/zinc/05/88/12/522058812.db2.gz ADVQEQXWYCVPGH-GJZGRUSLSA-N 1 3 282.815 2.539 10 0 CFAEHO C[NH2+]C[C@H](O[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000061702387 522078004 /nfs/dbraw/zinc/07/80/04/522078004.db2.gz BGHBRXWFFQSDBK-IRXDYDNUSA-N 1 3 276.424 2.522 10 0 CFAEHO CNCc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373066 522116415 /nfs/dbraw/zinc/11/64/15/522116415.db2.gz ZBSSYLSTOWWEFD-HNNXBMFYSA-N 1 3 270.376 2.989 10 0 CFAEHO CNCc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000052373066 522116425 /nfs/dbraw/zinc/11/64/25/522116425.db2.gz ZBSSYLSTOWWEFD-HNNXBMFYSA-N 1 3 270.376 2.989 10 0 CFAEHO C[NH2+]Cc1sc2cccc(F)c2c1CN(C)C ZINC000052422656 522168585 /nfs/dbraw/zinc/16/85/85/522168585.db2.gz UAJFKKJLDSOSGX-UHFFFAOYSA-N 1 3 252.358 2.821 10 0 CFAEHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(C)c(F)c1 ZINC000234740428 522287786 /nfs/dbraw/zinc/28/77/86/522287786.db2.gz XSWJPHBFWQUQKP-GXTWGEPZSA-N 1 3 268.376 2.539 10 0 CFAEHO CC[C@H]1CCC[N@H+](Cc2cc(CNC)oc2C)C1 ZINC000052479876 523090673 /nfs/dbraw/zinc/09/06/73/523090673.db2.gz HYXCRVJDYCCUCX-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@H]1CCC[N@@H+](Cc2cc(CNC)oc2C)C1 ZINC000052479876 523090677 /nfs/dbraw/zinc/09/06/77/523090677.db2.gz HYXCRVJDYCCUCX-ZDUSSCGKSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@H]1CN(CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477309 523274101 /nfs/dbraw/zinc/27/41/01/523274101.db2.gz REKIYJGQKJXPRD-HNNXBMFYSA-N 1 3 256.434 2.513 10 0 CFAEHO CN1CCCC[C@H]1CC[NH2+]CCc1ccsc1 ZINC000052205945 523798602 /nfs/dbraw/zinc/79/86/02/523798602.db2.gz HALVWOFUDWRWBM-AWEZNQCLSA-N 1 3 252.427 2.755 10 0 CFAEHO C[N@@H+]1CCCC[C@H]1CCNCCc1ccsc1 ZINC000052205945 523798606 /nfs/dbraw/zinc/79/86/06/523798606.db2.gz HALVWOFUDWRWBM-AWEZNQCLSA-N 1 3 252.427 2.755 10 0 CFAEHO C[N@H+]1CCCC[C@H]1CCNCCc1ccsc1 ZINC000052205945 523798611 /nfs/dbraw/zinc/79/86/11/523798611.db2.gz HALVWOFUDWRWBM-AWEZNQCLSA-N 1 3 252.427 2.755 10 0 CFAEHO C[C@@H]1CCCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C1 ZINC000052180804 524221099 /nfs/dbraw/zinc/22/10/99/524221099.db2.gz JPPKNDIZRGINTG-OAHLLOKOSA-N 1 3 282.472 2.903 10 0 CFAEHO Cc1cc([C@@H](C[NH3+])N(CCN(C)C)CC(C)C)ccc1F ZINC000050558556 525480867 /nfs/dbraw/zinc/48/08/67/525480867.db2.gz DRAPCELEOGGPDL-QGZVFWFLSA-N 1 3 295.446 2.654 10 0 CFAEHO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(C3CCCC3)CC2)o1 ZINC000052060423 525786015 /nfs/dbraw/zinc/78/60/15/525786015.db2.gz ODLARILCAAXMBY-RHSMWYFYSA-N 1 3 291.439 2.537 10 0 CFAEHO Cc1occc1CN(C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052346580 526826265 /nfs/dbraw/zinc/82/62/65/526826265.db2.gz LXXOQRJIQPCUPB-LBPRGKRZSA-N 1 3 250.386 2.941 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3coc4ccccc34)C[C@H]12 ZINC000261576892 619172254 /nfs/dbraw/zinc/17/22/54/619172254.db2.gz CJZDMZRBWMBEBS-BYCMXARLSA-N 1 3 256.349 2.602 10 0 CFAEHO CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H]1CCC[NH2+]C1 ZINC000261578440 619172907 /nfs/dbraw/zinc/17/29/07/619172907.db2.gz OZDCXKTYZXGMPI-QWRGUYRKSA-N 1 3 264.335 2.649 10 0 CFAEHO C[C@@]1(c2ccc(F)cc2)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261998013 619361835 /nfs/dbraw/zinc/36/18/35/619361835.db2.gz TTYWOMHDXAOVJY-WMLDXEAASA-N 1 3 276.399 2.789 10 0 CFAEHO CC[NH2+][C@@](C)(CO)CCN1CCC(CC)(CC)CC1 ZINC000085213562 178978105 /nfs/dbraw/zinc/97/81/05/178978105.db2.gz AZXIUYXZNAPXDU-OAHLLOKOSA-N 1 3 270.461 2.639 10 0 CFAEHO CCN[C@@](C)(CO)CC[NH+]1CCC(CC)(CC)CC1 ZINC000085213562 178978106 /nfs/dbraw/zinc/97/81/06/178978106.db2.gz AZXIUYXZNAPXDU-OAHLLOKOSA-N 1 3 270.461 2.639 10 0 CFAEHO Cc1cnc(CNCCCC[NH+]2CCCC2)c(C)c1 ZINC000117979857 347795386 /nfs/dbraw/zinc/79/53/86/347795386.db2.gz AEBMLBUMCZIAIJ-UHFFFAOYSA-N 1 3 261.413 2.664 10 0 CFAEHO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC000086817221 179344950 /nfs/dbraw/zinc/34/49/50/179344950.db2.gz KBLLZMCCJXEKGR-KBPBESRZSA-N 1 3 262.397 2.830 10 0 CFAEHO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817211 179345335 /nfs/dbraw/zinc/34/53/35/179345335.db2.gz HPEJKIZAKWGUNP-SWLSCSKDSA-N 1 3 250.361 2.961 10 0 CFAEHO C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817211 179345337 /nfs/dbraw/zinc/34/53/37/179345337.db2.gz HPEJKIZAKWGUNP-SWLSCSKDSA-N 1 3 250.361 2.961 10 0 CFAEHO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCN(C(C)C)CC1 ZINC000086843814 179353492 /nfs/dbraw/zinc/35/34/92/179353492.db2.gz YRQLLEOZMVAWRP-MRXNPFEDSA-N 1 3 278.444 2.503 10 0 CFAEHO CCOC(=O)C[C@@]1(N2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086868521 179360443 /nfs/dbraw/zinc/36/04/43/179360443.db2.gz GSTILGKRIJYYQD-QGZVFWFLSA-N 1 3 296.455 2.669 10 0 CFAEHO CCOC(=O)C[C@@]1(N2CCCC2)CCC[N@H+](C(C)C)CC1 ZINC000086868521 179360445 /nfs/dbraw/zinc/36/04/45/179360445.db2.gz GSTILGKRIJYYQD-QGZVFWFLSA-N 1 3 296.455 2.669 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C ZINC000104195666 185925822 /nfs/dbraw/zinc/92/58/22/185925822.db2.gz QLWYXZAYLYCAFG-GJZGRUSLSA-N 1 3 283.847 2.612 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@@H]12 ZINC000261573521 539672793 /nfs/dbraw/zinc/67/27/93/539672793.db2.gz ASRAULRCPRCDBD-GVDBMIGSSA-N 1 3 256.393 2.733 10 0 CFAEHO C[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631841349 355603771 /nfs/dbraw/zinc/60/37/71/355603771.db2.gz JOGNZWSXWXNJOI-JQWIXIFHSA-N 1 3 288.313 2.612 10 0 CFAEHO C[C@@H]1CCN(c2ccnc3ccccc32)[C@H](C[NH3+])C1 ZINC000261569057 540704824 /nfs/dbraw/zinc/70/48/24/540704824.db2.gz LYWWOLVAWMGDOV-OLZOCXBDSA-N 1 3 255.365 2.798 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccc(F)cc3)C[C@@H]12 ZINC000311738184 541029307 /nfs/dbraw/zinc/02/93/07/541029307.db2.gz ZXCQKXJVYPNAMJ-KCPJHIHWSA-N 1 3 280.412 2.587 10 0 CFAEHO C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C1CNC1 ZINC000422981133 296144667 /nfs/dbraw/zinc/14/46/67/296144667.db2.gz NIQYCANPEGDONU-XALLYKQOSA-N 1 3 262.441 2.789 10 0 CFAEHO CC(C)(CN[C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000129319558 377412152 /nfs/dbraw/zinc/41/21/52/377412152.db2.gz IQJKKBADSZDIFM-LBPRGKRZSA-N 1 3 252.427 2.757 10 0 CFAEHO CC(C)(C[NH2+][C@H]1CCCNCC1)c1cccs1 ZINC000129319558 377412158 /nfs/dbraw/zinc/41/21/58/377412158.db2.gz IQJKKBADSZDIFM-LBPRGKRZSA-N 1 3 252.427 2.757 10 0 CFAEHO CCN(CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000133530973 377938543 /nfs/dbraw/zinc/93/85/43/377938543.db2.gz OIYVRLCHUMXZBZ-MSOLQXFVSA-N 1 3 289.467 2.801 10 0 CFAEHO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000389910716 382617109 /nfs/dbraw/zinc/61/71/09/382617109.db2.gz JNMNITVUOLLLHG-DOTOQJQBSA-N 1 3 276.424 2.714 10 0 CFAEHO C[C@@H](C[NH2+][C@H]1CCCNCC1)COCc1ccccc1 ZINC000389946887 382617172 /nfs/dbraw/zinc/61/71/72/382617172.db2.gz QOBCRBNGYJIVEX-RDJZCZTQSA-N 1 3 276.424 2.571 10 0 CFAEHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCCNC1 ZINC000567375361 383269832 /nfs/dbraw/zinc/26/98/32/383269832.db2.gz XBTRKCAAHRWFOM-GBJTYRQASA-N 1 3 268.445 2.558 10 0 CFAEHO CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261539826 383508448 /nfs/dbraw/zinc/50/84/48/383508448.db2.gz BPWDLODGXCRAHU-CYBMUJFWSA-N 1 3 250.411 2.712 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261624175 383530551 /nfs/dbraw/zinc/53/05/51/383530551.db2.gz VAJWXVLSZRMPEZ-LCGIIJARSA-N 1 3 262.372 2.946 10 0 CFAEHO CC(C)Oc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261776370 383558522 /nfs/dbraw/zinc/55/85/22/383558522.db2.gz PEZIXARNVRFDPK-BHYGNILZSA-N 1 3 274.408 2.643 10 0 CFAEHO COc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261792006 383562006 /nfs/dbraw/zinc/56/20/06/383562006.db2.gz LBEGYBSRCLTENT-MSOLQXFVSA-N 1 3 296.414 2.870 10 0 CFAEHO [NH3+]C[C@@H]1CN(Cc2cccs2)C[C@H]1c1ccccc1 ZINC000261822339 383565590 /nfs/dbraw/zinc/56/55/90/383565590.db2.gz YBOFLVGITBNJCO-ZBFHGGJFSA-N 1 3 272.417 2.922 10 0 CFAEHO NC[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000261822339 383565593 /nfs/dbraw/zinc/56/55/93/383565593.db2.gz YBOFLVGITBNJCO-ZBFHGGJFSA-N 1 3 272.417 2.922 10 0 CFAEHO NC[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1 ZINC000261822339 383565597 /nfs/dbraw/zinc/56/55/97/383565597.db2.gz YBOFLVGITBNJCO-ZBFHGGJFSA-N 1 3 272.417 2.922 10 0 CFAEHO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCCNC1 ZINC000643454434 384635762 /nfs/dbraw/zinc/63/57/62/384635762.db2.gz RMSGXNGKHOJTBW-UONOGXRCSA-N 1 3 271.408 2.688 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643458018 384639666 /nfs/dbraw/zinc/63/96/66/384639666.db2.gz NFCPROKXTBFZQA-HLLBOEOZSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643458018 384639677 /nfs/dbraw/zinc/63/96/77/384639677.db2.gz NFCPROKXTBFZQA-HLLBOEOZSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643458019 384639827 /nfs/dbraw/zinc/63/98/27/384639827.db2.gz NFCPROKXTBFZQA-INMHGKMJSA-N 1 3 276.424 2.569 10 0 CFAEHO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643458019 384639837 /nfs/dbraw/zinc/63/98/37/384639837.db2.gz NFCPROKXTBFZQA-INMHGKMJSA-N 1 3 276.424 2.569 10 0 CFAEHO Cc1cc(N2CCC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000044531761 393564574 /nfs/dbraw/zinc/56/45/74/393564574.db2.gz ODMIQRPBBWQNBF-CYBMUJFWSA-N 1 3 255.365 2.718 10 0 CFAEHO CN(C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000381588740 393564953 /nfs/dbraw/zinc/56/49/53/393564953.db2.gz DBOJSESHJYLWEM-OLZOCXBDSA-N 1 3 260.372 2.886 10 0 CFAEHO Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000164012811 394369154 /nfs/dbraw/zinc/36/91/54/394369154.db2.gz CURLJGXSNOBPSX-GXTWGEPZSA-N 1 3 269.392 2.964 10 0 CFAEHO Cc1ccc([C@@H](C)N[C@H](C)C2CC[NH+](C)CC2)o1 ZINC000036959979 543024906 /nfs/dbraw/zinc/02/49/06/543024906.db2.gz GIPYWHMEJOLKRM-CHWSQXEVSA-N 1 3 250.386 2.969 10 0 CFAEHO Cc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)ccnc12 ZINC000301663697 397638986 /nfs/dbraw/zinc/63/89/86/397638986.db2.gz KPBSIXWFMFGXDC-OAHLLOKOSA-N 1 3 279.387 2.994 10 0 CFAEHO CC([NH2+]CCC1CC2CCC1C2)C1CCC[NH2+]C1 ZINC000578756803 413278687 /nfs/dbraw/zinc/27/86/87/413278687.db2.gz QZNPZFKWVKMDQB-RFBLXINOSA-N 1 3 250.430 2.790 10 0 CFAEHO CC([NH2+]CCC1CC2CCC1C2)C1CCCNC1 ZINC000578756803 413278695 /nfs/dbraw/zinc/27/86/95/413278695.db2.gz QZNPZFKWVKMDQB-RFBLXINOSA-N 1 3 250.430 2.790 10 0 CFAEHO [NH3+]CC[C@@H](COc1ccc(Cl)cc1)N1CCCC1 ZINC000020401991 171182483 /nfs/dbraw/zinc/18/24/83/171182483.db2.gz WPLDAAZZGJLHKG-ZDUSSCGKSA-N 1 3 268.788 2.532 10 0 CFAEHO [NH3+]CC[C@H](COc1cccc(Cl)c1)N1CCCC1 ZINC000020401989 171182531 /nfs/dbraw/zinc/18/25/31/171182531.db2.gz HMIRNOUNOMVEDX-CYBMUJFWSA-N 1 3 268.788 2.532 10 0 CFAEHO C[N@H+](CCC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000022165972 171365682 /nfs/dbraw/zinc/36/56/82/171365682.db2.gz JDIXPGMXIJFEGN-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO C[N@@H+](CCC(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000022165972 171365684 /nfs/dbraw/zinc/36/56/84/171365684.db2.gz JDIXPGMXIJFEGN-UHFFFAOYSA-N 1 3 289.423 2.738 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037220146 173038290 /nfs/dbraw/zinc/03/82/90/173038290.db2.gz PNOGSYXPZQLUPS-SQWLQELKSA-N 1 3 261.413 2.853 10 0 CFAEHO CC[NH+]1CCC([C@@H](C)N[C@H](C)c2ccccn2)CC1 ZINC000037220372 173039360 /nfs/dbraw/zinc/03/93/60/173039360.db2.gz HLJCREXVFMZDQX-ZIAGYGMSSA-N 1 3 261.413 2.853 10 0 CFAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CCCOC(C)C)C1 ZINC000037221636 173042365 /nfs/dbraw/zinc/04/23/65/173042365.db2.gz PYKZCHZMVXLJJS-HUUCEWRRSA-N 1 3 256.434 2.512 10 0 CFAEHO Clc1ccc(CC[NH2+]C2CCNCC2)c(Cl)c1 ZINC000038040560 174041287 /nfs/dbraw/zinc/04/12/87/174041287.db2.gz GOPAMMKWGKBTHI-UHFFFAOYSA-N 1 3 273.207 2.878 10 0 CFAEHO Clc1ccc(CCNC2CC[NH2+]CC2)c(Cl)c1 ZINC000038040560 174041288 /nfs/dbraw/zinc/04/12/88/174041288.db2.gz GOPAMMKWGKBTHI-UHFFFAOYSA-N 1 3 273.207 2.878 10 0 CFAEHO CC[NH+](CC)CCOc1ccc(F)cc1[C@H](C)N ZINC000040240016 174212914 /nfs/dbraw/zinc/21/29/14/174212914.db2.gz PJMVPUVXYAESDU-NSHDSACASA-N 1 3 254.349 2.566 10 0 CFAEHO C[C@@H](N)c1cc(F)ccc1OCC[C@@H]1CCC[N@@H+]1C ZINC000040240635 174213632 /nfs/dbraw/zinc/21/36/32/174213632.db2.gz WIJIGWCFQGCJIY-YPMHNXCESA-N 1 3 266.360 2.709 10 0 CFAEHO C[C@@H](N)c1cc(F)ccc1OCC[C@@H]1CCC[N@H+]1C ZINC000040240635 174213634 /nfs/dbraw/zinc/21/36/34/174213634.db2.gz WIJIGWCFQGCJIY-YPMHNXCESA-N 1 3 266.360 2.709 10 0 CFAEHO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCCN(CC)C1 ZINC000040506729 174302123 /nfs/dbraw/zinc/30/21/23/174302123.db2.gz UZJCJUWZDWTZHA-LSDHHAIUSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000040506729 174302124 /nfs/dbraw/zinc/30/21/24/174302124.db2.gz UZJCJUWZDWTZHA-LSDHHAIUSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000040506729 174302126 /nfs/dbraw/zinc/30/21/26/174302126.db2.gz UZJCJUWZDWTZHA-LSDHHAIUSA-N 1 3 256.434 2.513 10 0 CFAEHO C[C@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749033 174394163 /nfs/dbraw/zinc/39/41/63/174394163.db2.gz SSYOYMBBUCDKDE-HZTRTUMWSA-N 1 3 258.409 2.962 10 0 CFAEHO C[C@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749033 174394164 /nfs/dbraw/zinc/39/41/64/174394164.db2.gz SSYOYMBBUCDKDE-HZTRTUMWSA-N 1 3 258.409 2.962 10 0 CFAEHO COc1cccc(CN(CCC[NH3+])CC(C)C)c1 ZINC000043417532 175038161 /nfs/dbraw/zinc/03/81/61/175038161.db2.gz MBUYXKLBDLCUIP-UHFFFAOYSA-N 1 3 250.386 2.502 10 0 CFAEHO CCCC[C@@H](CC)CN1CCN(CCCC[NH3+])CC1 ZINC000043454523 175049879 /nfs/dbraw/zinc/04/98/79/175049879.db2.gz FFEGKQKARHNAHY-MRXNPFEDSA-N 1 3 269.477 2.559 10 0 CFAEHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043809135 175109427 /nfs/dbraw/zinc/10/94/27/175109427.db2.gz YHPFUHVXJUCMHD-GFCCVEGCSA-N 1 3 250.386 2.817 10 0 CFAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N(C)C1CCN(C)CC1 ZINC000043815229 175111733 /nfs/dbraw/zinc/11/17/33/175111733.db2.gz JCBWBCVVVFQIRG-MAUKXSAKSA-N 1 3 289.467 2.670 10 0 CFAEHO CCCc1ccc([C@H](CN2CCCN(C)CC2)[NH2+]C)cc1 ZINC000043818185 175112828 /nfs/dbraw/zinc/11/28/28/175112828.db2.gz REJFFFDQDUOQET-SFHVURJKSA-N 1 3 289.467 2.537 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCC[C@@H]2C)c1 ZINC000043902845 175122719 /nfs/dbraw/zinc/12/27/19/175122719.db2.gz PTFZHXAMSFHXBE-QWHCGFSZSA-N 1 3 262.397 2.960 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965672 175127072 /nfs/dbraw/zinc/12/70/72/175127072.db2.gz WWTXCSTWIVOAJY-IKGGRYGDSA-N 1 3 295.515 2.959 10 0 CFAEHO C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965477 175127130 /nfs/dbraw/zinc/12/71/30/175127130.db2.gz BIHSFGNXEQOOLX-JKSUJKDBSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(C(C)(C)C)CC1 ZINC000043965716 175127474 /nfs/dbraw/zinc/12/74/74/175127474.db2.gz ZXOIDKOYNOQZJX-HZPDHXFCSA-N 1 3 281.488 2.713 10 0 CFAEHO CCC(CC)[N@H+](CCOC)[C@H]1CCCC[C@@H]1NC ZINC000043977023 175133305 /nfs/dbraw/zinc/13/33/05/175133305.db2.gz YMCLIGFRARCTDS-GJZGRUSLSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC(CC)[N@@H+](CCOC)[C@H]1CCCC[C@@H]1NC ZINC000043977023 175133306 /nfs/dbraw/zinc/13/33/06/175133306.db2.gz YMCLIGFRARCTDS-GJZGRUSLSA-N 1 3 256.434 2.654 10 0 CFAEHO CCC[C@@H](O)[C@H](CC)[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162334 175147241 /nfs/dbraw/zinc/14/72/41/175147241.db2.gz CSSGIBPDVUSMMW-DLBZAZTESA-N 1 3 282.472 2.876 10 0 CFAEHO CCCN1CCN([C@H](c2ccc(C)cc2)[C@@H]([NH3+])CC)CC1 ZINC000044418392 175173144 /nfs/dbraw/zinc/17/31/44/175173144.db2.gz PQKMBBKJIXXVBP-ZWKOTPCHSA-N 1 3 289.467 2.801 10 0 CFAEHO CC[NH2+][C@H]1CCCc2cc(OCCN(C)C)ccc21 ZINC000044745632 175241988 /nfs/dbraw/zinc/24/19/88/175241988.db2.gz RHTVFWQRXBYEIH-INIZCTEOSA-N 1 3 262.397 2.614 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747333 175242976 /nfs/dbraw/zinc/24/29/76/175242976.db2.gz FBPSHUPMWPDWEY-FZKQIMNGSA-N 1 3 286.419 2.844 10 0 CFAEHO Oc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000044747333 175242977 /nfs/dbraw/zinc/24/29/77/175242977.db2.gz FBPSHUPMWPDWEY-FZKQIMNGSA-N 1 3 286.419 2.844 10 0 CFAEHO CN1CC[C@@H](C[N@H+](C)Cc2cccc(Br)c2)C1 ZINC000071190412 176066110 /nfs/dbraw/zinc/06/61/10/176066110.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 1 3 297.240 2.833 10 0 CFAEHO CN1CC[C@@H](C[N@@H+](C)Cc2cccc(Br)c2)C1 ZINC000071190412 176066111 /nfs/dbraw/zinc/06/61/11/176066111.db2.gz XTPSXYZSKMSWFL-CYBMUJFWSA-N 1 3 297.240 2.833 10 0 CFAEHO CCCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000312646875 290016384 /nfs/dbraw/zinc/01/63/84/290016384.db2.gz FAQYRDIHJYOESZ-XIRDDKMYSA-N 1 3 274.408 2.645 10 0 CFAEHO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc2n1 ZINC000383702400 324441866 /nfs/dbraw/zinc/44/18/66/324441866.db2.gz DEPRDXAASNSBAD-SJKOYZFVSA-N 1 3 269.392 2.964 10 0 CFAEHO CC(C)[NH2+]CC1(CN2CCCCCC2)CCOCC1 ZINC000052180823 519719684 /nfs/dbraw/zinc/71/96/84/519719684.db2.gz IOLPJFCWUWQCFX-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)CSC ZINC000069444470 519908315 /nfs/dbraw/zinc/90/83/15/519908315.db2.gz RMKJNKRUQRQMMU-FFHGMXDLSA-N 1 3 270.486 2.981 10 0 CFAEHO CCCCN(CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180975 520474441 /nfs/dbraw/zinc/47/44/41/520474441.db2.gz CDFSEJXSCONRGR-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[N@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052180975 520474449 /nfs/dbraw/zinc/47/44/49/520474449.db2.gz CDFSEJXSCONRGR-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[N@@H+](CC)CC1(CNC(C)C)CCOCC1 ZINC000052180975 520474457 /nfs/dbraw/zinc/47/44/57/520474457.db2.gz CDFSEJXSCONRGR-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCN(CC1CC1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000069262798 520958498 /nfs/dbraw/zinc/95/84/98/520958498.db2.gz CKMOOBMKDILUBZ-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1CN ZINC000069429384 521302102 /nfs/dbraw/zinc/30/21/02/521302102.db2.gz NHMMRXSJWSSDLK-UHFFFAOYSA-N 1 3 277.412 2.594 10 0 CFAEHO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1CN ZINC000069429384 521302111 /nfs/dbraw/zinc/30/21/11/521302111.db2.gz NHMMRXSJWSSDLK-UHFFFAOYSA-N 1 3 277.412 2.594 10 0 CFAEHO CC[C@@H](C)N1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055067349 522135193 /nfs/dbraw/zinc/13/51/93/522135193.db2.gz LPGBAUFNENRONA-ZIAGYGMSSA-N 1 3 261.413 2.627 10 0 CFAEHO CC(C)C[C@H](C)[N@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197680 519309762 /nfs/dbraw/zinc/30/97/62/519309762.db2.gz WDSHZUOAYCYPMP-HNNXBMFYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)C[C@H](C)[N@@H+](C)CC1(CNC2CC2)CCOCC1 ZINC000052197680 519309767 /nfs/dbraw/zinc/30/97/67/519309767.db2.gz WDSHZUOAYCYPMP-HNNXBMFYSA-N 1 3 282.472 2.902 10 0 CFAEHO CC(C)[NH2+]C[C@H]1CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000052419175 519725873 /nfs/dbraw/zinc/72/58/73/519725873.db2.gz YXWBVOHVKNDUMR-MSOLQXFVSA-N 1 3 288.435 2.590 10 0 CFAEHO CC(C)[NH2+]Cc1ccccc1N1CCN(CC2CC2)CC1 ZINC000048995533 519727744 /nfs/dbraw/zinc/72/77/44/519727744.db2.gz AYXZCVWSJBFUNC-UHFFFAOYSA-N 1 3 287.451 2.717 10 0 CFAEHO CC(C)NCc1ccccc1OCC[N@H+](C)C(C)C ZINC000052419588 519727994 /nfs/dbraw/zinc/72/79/94/519727994.db2.gz INCPQJUDDZAYBR-UHFFFAOYSA-N 1 3 264.413 2.904 10 0 CFAEHO CC(C)NCc1ccccc1OCC[N@@H+](C)C(C)C ZINC000052419588 519727996 /nfs/dbraw/zinc/72/79/96/519727996.db2.gz INCPQJUDDZAYBR-UHFFFAOYSA-N 1 3 264.413 2.904 10 0 CFAEHO CC(C)CN1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787049 519728313 /nfs/dbraw/zinc/72/83/13/519728313.db2.gz NSTUOTOMYHALEB-UHFFFAOYSA-N 1 3 281.831 2.577 10 0 CFAEHO CC(C)C[NH2+]CCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380753 519743178 /nfs/dbraw/zinc/74/31/78/519743178.db2.gz ZMSPNYITAFDJTA-GASCZTMLSA-N 1 3 256.434 2.512 10 0 CFAEHO CC(C)C[NH2+]C[C@H](c1ccccc1)N1CCCN(C)CC1 ZINC000052424446 519745969 /nfs/dbraw/zinc/74/59/69/519745969.db2.gz KDCZWQVYDSZYLZ-GOSISDBHSA-N 1 3 289.467 2.611 10 0 CFAEHO CCCC1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052182119 519900870 /nfs/dbraw/zinc/90/08/70/519900870.db2.gz NYPJQVWFNPTFNL-UHFFFAOYSA-N 1 3 268.445 2.515 10 0 CFAEHO CCC[NH2+]C[C@@H](c1ccccc1)N(C)C1CCN(C)CC1 ZINC000052419946 519921671 /nfs/dbraw/zinc/92/16/71/519921671.db2.gz HQJJODNXHXVIRU-SFHVURJKSA-N 1 3 289.467 2.753 10 0 CFAEHO CC[NH2+]C[C@@H](c1ccccc1)N(CCN(C)C)CC(C)C ZINC000052503411 519949680 /nfs/dbraw/zinc/94/96/80/519949680.db2.gz NWSLWSTXMKMVKR-SFHVURJKSA-N 1 3 291.483 2.857 10 0 CFAEHO CCNCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000052420613 519995276 /nfs/dbraw/zinc/99/52/76/519995276.db2.gz LGRMGRCOLKTFNO-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CCNCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000052420613 519995282 /nfs/dbraw/zinc/99/52/82/519995282.db2.gz LGRMGRCOLKTFNO-BETUJISGSA-N 1 3 250.386 2.867 10 0 CFAEHO CC[NH2+]Cc1ccccc1CN(C)[C@H]1CCSC1 ZINC000052453646 520006551 /nfs/dbraw/zinc/00/65/51/520006551.db2.gz JIAFABPNPMJMNE-HNNXBMFYSA-N 1 3 264.438 2.733 10 0 CFAEHO CCN(CC1(C[NH2+]C(C)(C)C)CCOCC1)C(C)C ZINC000052181322 520937444 /nfs/dbraw/zinc/93/74/44/520937444.db2.gz MPCOBVXWSHSYEP-UHFFFAOYSA-N 1 3 270.461 2.902 10 0 CFAEHO CC[N@@H+](CC1CC1)CC1(CNC(C)C)CCOCC1 ZINC000069262798 520958492 /nfs/dbraw/zinc/95/84/92/520958492.db2.gz CKMOOBMKDILUBZ-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC[N@H+](CC1CC1)CC1(CNC(C)C)CCOCC1 ZINC000069262798 520958488 /nfs/dbraw/zinc/95/84/88/520958488.db2.gz CKMOOBMKDILUBZ-UHFFFAOYSA-N 1 3 268.445 2.513 10 0 CFAEHO CC1CCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052180635 520998087 /nfs/dbraw/zinc/99/80/87/520998087.db2.gz MIRJRZOLUWPMBP-UHFFFAOYSA-N 1 3 282.472 2.903 10 0 CFAEHO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000055075311 521060160 /nfs/dbraw/zinc/06/01/60/521060160.db2.gz ISWAMIYRAOJQBO-HRCADAONSA-N 1 3 269.477 2.569 10 0 CFAEHO CC[N@H+](Cc1cc(CNCC(C)C)no1)C(C)C ZINC000052446790 521289279 /nfs/dbraw/zinc/28/92/79/521289279.db2.gz VRCNKRDYUUIHQX-UHFFFAOYSA-N 1 3 253.390 2.651 10 0 CFAEHO CC[N@@H+](Cc1cc(CNCC(C)C)no1)C(C)C ZINC000052446790 521289282 /nfs/dbraw/zinc/28/92/82/521289282.db2.gz VRCNKRDYUUIHQX-UHFFFAOYSA-N 1 3 253.390 2.651 10 0 CFAEHO CCCN(CC)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181213 521605907 /nfs/dbraw/zinc/60/59/07/521605907.db2.gz QUIVFQFQFVDZPB-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CN(C)Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050944941 521906503 /nfs/dbraw/zinc/90/65/03/521906503.db2.gz LEXVCBZKGJQIHQ-OAHLLOKOSA-N 1 3 289.423 2.609 10 0 CFAEHO CNCC1(C[N@H+](C)C2CCCCCC2)CCOCC1 ZINC000052181988 521966684 /nfs/dbraw/zinc/96/66/84/521966684.db2.gz QTBHAHKYZMQAEF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CNCC1(C[N@@H+](C)C2CCCCCC2)CCOCC1 ZINC000052181988 521966688 /nfs/dbraw/zinc/96/66/88/521966688.db2.gz QTBHAHKYZMQAEF-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000048927160 522027458 /nfs/dbraw/zinc/02/74/58/522027458.db2.gz YYCHBHMZEQOVLF-NVXWUHKLSA-N 1 3 283.504 2.946 10 0 CFAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cccc(Cl)c2)O1 ZINC000052508250 522093532 /nfs/dbraw/zinc/09/35/32/522093532.db2.gz UKCDSKRBHKCXTL-CABCVRRESA-N 1 3 282.815 2.539 10 0 CFAEHO CNCc1ccccc1OCC[NH+]1CCCCCC1 ZINC000052381908 522140253 /nfs/dbraw/zinc/14/02/53/522140253.db2.gz GOIRRQVYGGOCKU-UHFFFAOYSA-N 1 3 262.397 2.661 10 0 CFAEHO C[NH2+][C@@H](C)c1ccc(OCCN(C)C)c(Cl)c1 ZINC000061699547 522334609 /nfs/dbraw/zinc/33/46/09/522334609.db2.gz ZCFQHJFWTDUXHA-JTQLQIEISA-N 1 3 256.777 2.561 10 0 CFAEHO CC[C@@H](CC[NH3+])N1CCN(Cc2cc(C)ccc2C)CC1 ZINC000049256677 522497806 /nfs/dbraw/zinc/49/78/06/522497806.db2.gz DRZJZCYXAFQYIG-SFHVURJKSA-N 1 3 289.467 2.548 10 0 CFAEHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(Cl)s1 ZINC000234696409 522668032 /nfs/dbraw/zinc/66/80/32/522668032.db2.gz OKIDDVAZIPMYDC-ZJUUUORDSA-N 1 3 276.833 2.806 10 0 CFAEHO COC1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052455473 522705625 /nfs/dbraw/zinc/70/56/25/522705625.db2.gz HXJXIVPBHWUUJE-UHFFFAOYSA-N 1 3 274.408 2.549 10 0 CFAEHO CN(CCC[NH2+]CCCN1CCCC1)Cc1ccccc1 ZINC000049332286 522772631 /nfs/dbraw/zinc/77/26/31/522772631.db2.gz ZPPLVXHNEIOEDB-UHFFFAOYSA-N 1 3 289.467 2.584 10 0 CFAEHO CN(CCC[C@@H]1CCC[NH2+]1)Cc1cccc(F)c1 ZINC000052764582 522789243 /nfs/dbraw/zinc/78/92/43/522789243.db2.gz KDJXFMFCFLURQC-HNNXBMFYSA-N 1 3 250.361 2.790 10 0 CFAEHO CC[C@@H]1CCC[N@H+](Cc2cc(CNC)oc2C)C1 ZINC000052479875 523252937 /nfs/dbraw/zinc/25/29/37/523252937.db2.gz HYXCRVJDYCCUCX-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[C@@H]1CCC[N@@H+](Cc2cc(CNC)oc2C)C1 ZINC000052479875 523252946 /nfs/dbraw/zinc/25/29/46/523252946.db2.gz HYXCRVJDYCCUCX-CYBMUJFWSA-N 1 3 250.386 2.929 10 0 CFAEHO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCN(C)C)c(C)n1 ZINC000049554292 524336221 /nfs/dbraw/zinc/33/62/21/524336221.db2.gz IEJHUIULAXJYMA-OCCSQVGLSA-N 1 3 263.429 2.998 10 0 CFAEHO Cc1cccc(N2CCN([C@H](C)CCC[NH3+])CC2)c1C ZINC000052376273 524561218 /nfs/dbraw/zinc/56/12/18/524561218.db2.gz KZGOOHBWVXPFHQ-OAHLLOKOSA-N 1 3 275.440 2.553 10 0 CFAEHO C[C@H]([NH3+])c1ccc(OC2CCN(C)CC2)c(Cl)c1 ZINC000061699685 524867021 /nfs/dbraw/zinc/86/70/21/524867021.db2.gz ZSYAVPLGGRULDS-JTQLQIEISA-N 1 3 268.788 2.833 10 0 CFAEHO C[C@@H]1CN(CCCCC[NH2+]C(C)(C)C)[C@H](C)CO1 ZINC000052476647 524941057 /nfs/dbraw/zinc/94/10/57/524941057.db2.gz AKFWEJCAOUDLBF-ZIAGYGMSSA-N 1 3 256.434 2.654 10 0 CFAEHO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCN(C(C)(C)C)CC1 ZINC000050578880 525002107 /nfs/dbraw/zinc/00/21/07/525002107.db2.gz OEZKIBNLFACWNI-MRXNPFEDSA-N 1 3 293.430 2.550 10 0 CFAEHO Cc1cc([C@@H](C[NH3+])N2CCN(C(C)(C)C)CC2)ccc1F ZINC000050546293 525481605 /nfs/dbraw/zinc/48/16/05/525481605.db2.gz UEEGFIPGUYFRRU-MRXNPFEDSA-N 1 3 293.430 2.550 10 0 CFAEHO c1ccc(N2CCN(CCC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000050952336 526481886 /nfs/dbraw/zinc/48/18/86/526481886.db2.gz KIYCILFYGYPOES-QGZVFWFLSA-N 1 3 287.451 2.731 10 0 CFAEHO c1ccc(SCC[NH2+]CCCN2CCCC2)cc1 ZINC000049332525 526490320 /nfs/dbraw/zinc/49/03/20/526490320.db2.gz GNBVDPJADGZQOV-UHFFFAOYSA-N 1 3 264.438 2.854 10 0 CFAEHO NCCC[N@H+](CCCCCO)C1CCCCCC1 ZINC000051020258 527178878 /nfs/dbraw/zinc/17/88/78/527178878.db2.gz CUWRLMFPQVFVEN-UHFFFAOYSA-N 1 3 256.434 2.523 10 0 CFAEHO NCCC[N@@H+](CCCCCO)C1CCCCCC1 ZINC000051020258 527178882 /nfs/dbraw/zinc/17/88/82/527178882.db2.gz CUWRLMFPQVFVEN-UHFFFAOYSA-N 1 3 256.434 2.523 10 0 CFAEHO CC1(C)[C@H](NC[C@@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423350336 527869380 /nfs/dbraw/zinc/86/93/80/527869380.db2.gz XJHNPCQBQLBWLJ-BRWVUGGUSA-N 1 3 288.435 2.569 10 0 CFAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCOc2ccccc21 ZINC000250854411 650980958 /nfs/dbraw/zinc/98/09/58/650980958.db2.gz OOCKYVGIIUAGEP-CFVMTHIKSA-N 1 3 260.381 2.617 10 0 CFAEHO CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2cc(OC)ccc21 ZINC000082509392 178075926 /nfs/dbraw/zinc/07/59/26/178075926.db2.gz PDMJXTYCDGEADY-OAHLLOKOSA-N 1 3 290.407 2.593 10 0 CFAEHO CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(OC)cc21 ZINC000082509420 178076021 /nfs/dbraw/zinc/07/60/21/178076021.db2.gz QKJSCSWWEJPLLU-OAHLLOKOSA-N 1 3 290.407 2.593 10 0 CFAEHO CC[NH+](CC)CCc1nc(CNCC(C)C)cs1 ZINC000082688213 178181006 /nfs/dbraw/zinc/18/10/06/178181006.db2.gz DKPFHNRPFYLBIF-UHFFFAOYSA-N 1 3 269.458 2.773 10 0 CFAEHO c1ccc(CCCN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729021 178245364 /nfs/dbraw/zinc/24/53/64/178245364.db2.gz NMHGTASCHLGLDR-IAGOWNOFSA-N 1 3 258.409 2.693 10 0 CFAEHO c1ccc(CCC[N@@H+]2CC[C@H]3NCCC[C@@H]3C2)cc1 ZINC000082729021 178245365 /nfs/dbraw/zinc/24/53/65/178245365.db2.gz NMHGTASCHLGLDR-IAGOWNOFSA-N 1 3 258.409 2.693 10 0 CFAEHO c1ccc(CCC[N@H+]2CC[C@H]3NCCC[C@@H]3C2)cc1 ZINC000082729021 178245366 /nfs/dbraw/zinc/24/53/66/178245366.db2.gz NMHGTASCHLGLDR-IAGOWNOFSA-N 1 3 258.409 2.693 10 0 CFAEHO Cc1cc(CNCCC[NH3+])c(C)n1-c1ccccc1 ZINC000037713568 346333083 /nfs/dbraw/zinc/33/30/83/346333083.db2.gz MOOWKMYMJDKQDZ-UHFFFAOYSA-N 1 3 257.381 2.533 10 0 CFAEHO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000086817214 179344855 /nfs/dbraw/zinc/34/48/55/179344855.db2.gz HPEJKIZAKWGUNP-DOMZBBRYSA-N 1 3 250.361 2.961 10 0 CFAEHO C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000086817214 179344856 /nfs/dbraw/zinc/34/48/56/179344856.db2.gz HPEJKIZAKWGUNP-DOMZBBRYSA-N 1 3 250.361 2.961 10 0 CFAEHO CCC[N@@H+]1CCC[C@H](NCCN2CCC(C)CC2)CC1 ZINC000086842525 179352445 /nfs/dbraw/zinc/35/24/45/179352445.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 1 3 281.488 2.572 10 0 CFAEHO CCC[N@H+]1CCC[C@H](NCCN2CCC(C)CC2)CC1 ZINC000086842525 179352447 /nfs/dbraw/zinc/35/24/47/179352447.db2.gz ZPPXGERKERBTTG-KRWDZBQOSA-N 1 3 281.488 2.572 10 0 CFAEHO CC(C)[N@@H+]1CCC[C@@H](NCCN2CCCCCC2)CC1 ZINC000086842502 179353808 /nfs/dbraw/zinc/35/38/08/179353808.db2.gz NOONBVKCEYVNEJ-QGZVFWFLSA-N 1 3 281.488 2.715 10 0 CFAEHO CC(C)[N@H+]1CCC[C@@H](NCCN2CCCCCC2)CC1 ZINC000086842502 179353810 /nfs/dbraw/zinc/35/38/10/179353810.db2.gz NOONBVKCEYVNEJ-QGZVFWFLSA-N 1 3 281.488 2.715 10 0 CFAEHO C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000255113775 348303165 /nfs/dbraw/zinc/30/31/65/348303165.db2.gz HKYHFRUGRQFQJA-FXFXYLOPSA-N 1 3 288.435 2.526 10 0 CFAEHO NC1(Cc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000090587476 180009237 /nfs/dbraw/zinc/00/92/37/180009237.db2.gz GHNINZYXMSNWNF-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO [NH3+]C1(Cc2cccc(Cl)c2Cl)CCNCC1 ZINC000090587476 180009239 /nfs/dbraw/zinc/00/92/39/180009239.db2.gz GHNINZYXMSNWNF-UHFFFAOYSA-N 1 3 259.180 2.617 10 0 CFAEHO Cc1ncsc1CN(C)CCC[C@H]1CCCC[NH2+]1 ZINC000104443329 186003991 /nfs/dbraw/zinc/00/39/91/186003991.db2.gz IXCDXJRDWDQZDB-CYBMUJFWSA-N 1 3 267.442 2.806 10 0 CFAEHO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccnc3ccccc31)C2 ZINC000630537762 355106233 /nfs/dbraw/zinc/10/62/33/355106233.db2.gz DHSPASXXZMORNP-CALCHBBNSA-N 1 3 267.376 2.671 10 0 CFAEHO [NH3+]C[C@H]1CC[C@H](Nc2ccnc3ccccc32)CC1 ZINC000630556551 355112132 /nfs/dbraw/zinc/11/21/32/355112132.db2.gz HZPNHGAVYLZKFI-JOCQHMNTSA-N 1 3 255.365 2.586 10 0 CFAEHO COc1ccccc1CN1CCC(C2CC[NH2+]CC2)CC1 ZINC000013470164 372028029 /nfs/dbraw/zinc/02/80/29/372028029.db2.gz FRRZPZBBNJYGBE-UHFFFAOYSA-N 1 3 288.435 2.907 10 0 CFAEHO C[NH2+]C[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000041721434 372860253 /nfs/dbraw/zinc/86/02/53/372860253.db2.gz DWAMUHINDBHWSE-ZDUSSCGKSA-N 1 3 255.365 2.671 10 0 CFAEHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CN1CCCCC1 ZINC000085636257 374801861 /nfs/dbraw/zinc/80/18/61/374801861.db2.gz XKKFLGRQKSGXDM-QXSJWSMHSA-N 1 3 280.456 2.512 10 0 CFAEHO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000120410732 376610606 /nfs/dbraw/zinc/61/06/06/376610606.db2.gz STRCWBIWRQMABT-XEZPLFJOSA-N 1 3 262.397 2.686 10 0 CFAEHO C[C@H](NCCc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000400737977 380864877 /nfs/dbraw/zinc/86/48/77/380864877.db2.gz KKNLESWHFUGHEG-AAEUAGOBSA-N 1 3 297.240 2.579 10 0 CFAEHO C[C@@H](NCCCn1ccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400432512 380859415 /nfs/dbraw/zinc/85/94/15/380859415.db2.gz LMQRWRGWYXBPNL-GDBMZVCRSA-N 1 3 271.408 2.619 10 0 CFAEHO C[C@H](NCc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400480311 380861971 /nfs/dbraw/zinc/86/19/71/380861971.db2.gz FIYLYKWINOPHEC-ZFWWWQNUSA-N 1 3 254.377 2.927 10 0 CFAEHO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297816514 381574121 /nfs/dbraw/zinc/57/41/21/381574121.db2.gz YNWRJFLQSHEONA-CJNGLKHVSA-N 1 3 259.397 2.829 10 0 CFAEHO COc1cccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000388300980 382604925 /nfs/dbraw/zinc/60/49/25/382604925.db2.gz DYXAVVPYDPDPHJ-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000388300980 382604928 /nfs/dbraw/zinc/60/49/28/382604928.db2.gz DYXAVVPYDPDPHJ-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO COc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000388300980 382604932 /nfs/dbraw/zinc/60/49/32/382604932.db2.gz DYXAVVPYDPDPHJ-DVOMOZLQSA-N 1 3 262.397 2.673 10 0 CFAEHO C[C@H](C[NH2+][C@H]1CCCNCC1)COCc1ccccc1 ZINC000389946888 382616794 /nfs/dbraw/zinc/61/67/94/382616794.db2.gz QOBCRBNGYJIVEX-WBVHZDCISA-N 1 3 276.424 2.571 10 0 CFAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CO)C1CCCCC1 ZINC000386079404 382582210 /nfs/dbraw/zinc/58/22/10/382582210.db2.gz BOCUVUBUSYYCFE-DJIMGWMZSA-N 1 3 282.472 2.828 10 0 CFAEHO N[C@H](CCC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438067 382771221 /nfs/dbraw/zinc/77/12/21/382771221.db2.gz DGPURXFJTOQRKN-MRVPVSSYSA-N 1 3 251.132 2.871 10 0 CFAEHO N[C@@H](CCCC[NH3+])c1c(F)cccc1Br ZINC000575440451 382771786 /nfs/dbraw/zinc/77/17/86/382771786.db2.gz VNFCFRVACWVVRR-JTQLQIEISA-N 1 3 275.165 2.717 10 0 CFAEHO Cc1oc2ccccc2c1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998834 383455897 /nfs/dbraw/zinc/45/58/97/383455897.db2.gz LOXUEKNRVGXXEP-YPMHNXCESA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634998834 383455901 /nfs/dbraw/zinc/45/59/01/383455901.db2.gz LOXUEKNRVGXXEP-YPMHNXCESA-N 1 3 258.365 2.768 10 0 CFAEHO Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634998834 383455904 /nfs/dbraw/zinc/45/59/04/383455904.db2.gz LOXUEKNRVGXXEP-YPMHNXCESA-N 1 3 258.365 2.768 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000261726107 383547555 /nfs/dbraw/zinc/54/75/55/383547555.db2.gz KURILYZDTFCRBI-IACUBPJLSA-N 1 3 284.325 2.875 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c4cccnc34)C[C@H]12 ZINC000261698506 383543674 /nfs/dbraw/zinc/54/36/74/383543674.db2.gz NXNDCWJPJZLIFQ-DIOULYMOSA-N 1 3 285.366 2.543 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(OCC4CC4)cc3)C[C@@H]12 ZINC000262030998 383596727 /nfs/dbraw/zinc/59/67/27/383596727.db2.gz XEYHEJZCSATHQB-CGTJXYLNSA-N 1 3 286.419 2.645 10 0 CFAEHO Cc1ccccc1C[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261787708 383561445 /nfs/dbraw/zinc/56/14/45/383561445.db2.gz OGADVPBCHLDRCK-HOTGVXAUSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000261787708 383561448 /nfs/dbraw/zinc/56/14/48/383561448.db2.gz OGADVPBCHLDRCK-HOTGVXAUSA-N 1 3 260.425 2.857 10 0 CFAEHO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261787708 383561451 /nfs/dbraw/zinc/56/14/51/383561451.db2.gz OGADVPBCHLDRCK-HOTGVXAUSA-N 1 3 260.425 2.857 10 0 CFAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381576496 393564871 /nfs/dbraw/zinc/56/48/71/393564871.db2.gz IQVUQDPNRRFWRO-AVGNSLFASA-N 1 3 260.372 2.871 10 0 CFAEHO c1ccc2c(CNC3CC[NH+](C4CC4)CC3)ccnc2c1 ZINC000111763396 393887024 /nfs/dbraw/zinc/88/70/24/393887024.db2.gz FWGRPTWLPMDMJH-UHFFFAOYSA-N 1 3 281.403 2.951 10 0 CFAEHO C[N@H+](CCc1ccccn1)[C@@H]1CCCCCC[C@@H]1N ZINC000020260950 171118544 /nfs/dbraw/zinc/11/85/44/171118544.db2.gz HSSLHLFHBXAOGG-JKSUJKDBSA-N 1 3 261.413 2.606 10 0 CFAEHO C[N@@H+](CCc1ccccn1)[C@@H]1CCCCCC[C@@H]1N ZINC000020260950 171118545 /nfs/dbraw/zinc/11/85/45/171118545.db2.gz HSSLHLFHBXAOGG-JKSUJKDBSA-N 1 3 261.413 2.606 10 0 CFAEHO Cc1ccccc1OC[C@@H](CC[NH3+])N1CCCCC1 ZINC000020402216 171182252 /nfs/dbraw/zinc/18/22/52/171182252.db2.gz DIEZSKIEBHVWCM-OAHLLOKOSA-N 1 3 262.397 2.577 10 0 CFAEHO Cc1cc(C)c([C@@H](CN)[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022222514 171378669 /nfs/dbraw/zinc/37/86/69/171378669.db2.gz UHOZBUZTQDVOFA-QGZVFWFLSA-N 1 3 289.467 2.638 10 0 CFAEHO Cc1cc(C)c([C@@H](CN)[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000022222514 171378671 /nfs/dbraw/zinc/37/86/71/171378671.db2.gz UHOZBUZTQDVOFA-QGZVFWFLSA-N 1 3 289.467 2.638 10 0 CFAEHO CN(Cc1ccc(F)cc1)Cc1ccc(C[NH3+])cc1 ZINC000036127916 172448360 /nfs/dbraw/zinc/44/83/60/172448360.db2.gz HHGUGTKZRJZNIY-UHFFFAOYSA-N 1 3 258.340 2.916 10 0 CFAEHO CN(Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037158826 172994733 /nfs/dbraw/zinc/99/47/33/172994733.db2.gz DQTCYOPKDMAMKF-HIFRSBDPSA-N 1 3 250.361 2.775 10 0 CFAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCCOCC(C)C)C1 ZINC000037221361 173040365 /nfs/dbraw/zinc/04/03/65/173040365.db2.gz JNUFNXJWNAGZOZ-CVEARBPZSA-N 1 3 270.461 2.759 10 0 CFAEHO Cc1ncsc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000037229390 173049079 /nfs/dbraw/zinc/04/90/79/173049079.db2.gz LQWBRGYFGUOUKL-LBPRGKRZSA-N 1 3 267.442 2.978 10 0 CFAEHO CC[N@H+](CCSc1ccccc1)C1CCNCC1 ZINC000038078697 174088667 /nfs/dbraw/zinc/08/86/67/174088667.db2.gz OEIATIMHGSPUEW-UHFFFAOYSA-N 1 3 264.438 2.853 10 0 CFAEHO CC[N@@H+](CCSc1ccccc1)C1CCNCC1 ZINC000038078697 174088669 /nfs/dbraw/zinc/08/86/69/174088669.db2.gz OEIATIMHGSPUEW-UHFFFAOYSA-N 1 3 264.438 2.853 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000040506735 174302113 /nfs/dbraw/zinc/30/21/13/174302113.db2.gz XFHFYTIWQRAUKB-HOTGVXAUSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000040506735 174302115 /nfs/dbraw/zinc/30/21/15/174302115.db2.gz XFHFYTIWQRAUKB-HOTGVXAUSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCC[NH2+][C@@H](C)[C@H]1CCCN(CCC)C1 ZINC000040506735 174302117 /nfs/dbraw/zinc/30/21/17/174302117.db2.gz XFHFYTIWQRAUKB-HOTGVXAUSA-N 1 3 270.461 2.903 10 0 CFAEHO CC(C)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC000040622207 174354751 /nfs/dbraw/zinc/35/47/51/174354751.db2.gz IJGDNXORJXBUFT-KRWDZBQOSA-N 1 3 260.425 2.939 10 0 CFAEHO C[C@@H](CCc1ccc(O)cc1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749146 174393925 /nfs/dbraw/zinc/39/39/25/174393925.db2.gz WIYFDZSSRPRVRS-WWTUQBGBSA-N 1 3 274.408 2.667 10 0 CFAEHO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040749146 174393927 /nfs/dbraw/zinc/39/39/27/174393927.db2.gz WIYFDZSSRPRVRS-WWTUQBGBSA-N 1 3 274.408 2.667 10 0 CFAEHO CC[C@H](N)[C@@H](c1ccc(C)s1)[N@H+](C)C1CCN(C)CC1 ZINC000043239171 174988914 /nfs/dbraw/zinc/98/89/14/174988914.db2.gz LFAXQCXXCQCOHA-HOCLYGCPSA-N 1 3 295.496 2.861 10 0 CFAEHO CC[C@H](N)[C@@H](c1ccc(C)s1)[N@@H+](C)C1CCN(C)CC1 ZINC000043239171 174988915 /nfs/dbraw/zinc/98/89/15/174988915.db2.gz LFAXQCXXCQCOHA-HOCLYGCPSA-N 1 3 295.496 2.861 10 0 CFAEHO COc1ccc(CN(CCC[NH3+])CC(C)C)cc1OC ZINC000043417535 175038225 /nfs/dbraw/zinc/03/82/25/175038225.db2.gz VOCOJCVHRKEOCX-UHFFFAOYSA-N 1 3 280.412 2.511 10 0 CFAEHO CCCN1CCN(C[C@@H]([NH2+]C)c2ccc(C)c(C)c2)CC1 ZINC000043805378 175107693 /nfs/dbraw/zinc/10/76/93/175107693.db2.gz YCKCANKQFFKZIW-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CCC)CC1 ZINC000043805601 175107718 /nfs/dbraw/zinc/10/77/18/175107718.db2.gz KSRZSDYBCAFCET-BBWFWOEESA-N 1 3 281.488 2.571 10 0 CFAEHO CCC[NH2+][C@H](CN1CCN(CCC)CC1)c1ccccc1 ZINC000043805599 175107892 /nfs/dbraw/zinc/10/78/92/175107892.db2.gz QOIDUYXVLMNEHW-GOSISDBHSA-N 1 3 289.467 2.755 10 0 CFAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N(C)C1CCN(C)CC1 ZINC000043815228 175111735 /nfs/dbraw/zinc/11/17/35/175111735.db2.gz JCBWBCVVVFQIRG-QAPCUYQASA-N 1 3 289.467 2.670 10 0 CFAEHO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCCN(C)CC1 ZINC000043818512 175112844 /nfs/dbraw/zinc/11/28/44/175112844.db2.gz DXIQPJLKPXEMRN-FUHWJXTLSA-N 1 3 289.467 2.753 10 0 CFAEHO CC[NH2+][C@H](CN1CCCN(C)CC1)c1cc(C)ccc1C ZINC000043818403 175113404 /nfs/dbraw/zinc/11/34/04/175113404.db2.gz BKVVARVTBTXTFQ-GOSISDBHSA-N 1 3 289.467 2.592 10 0 CFAEHO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CCCN(C)CC1 ZINC000043818554 175113632 /nfs/dbraw/zinc/11/36/32/175113632.db2.gz ZMTABGDZBUIEDV-IKGGRYGDSA-N 1 3 281.488 2.571 10 0 CFAEHO CCC[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccccc1 ZINC000043897148 175119941 /nfs/dbraw/zinc/11/99/41/175119941.db2.gz TZGKDTPKNVJRQE-SFHVURJKSA-N 1 3 289.467 2.753 10 0 CFAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN(C)C2CCOCC2)c1 ZINC000043898315 175120897 /nfs/dbraw/zinc/12/08/97/175120897.db2.gz NAAPRDAITWSOCV-CYBMUJFWSA-N 1 3 292.423 2.586 10 0 CFAEHO CCC[C@H]([NH2+]C)[C@@H](CC)N1CCN(C(C)(C)C)CC1 ZINC000043965512 175127023 /nfs/dbraw/zinc/12/70/23/175127023.db2.gz TZUPEEUXIWZWCI-LSDHHAIUSA-N 1 3 269.477 2.569 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967984 175129069 /nfs/dbraw/zinc/12/90/69/175129069.db2.gz QSNFJKFPLFVQQA-JQHSSLGASA-N 1 3 293.499 2.571 10 0 CFAEHO CCC[NH2+][C@H](C)CCN(CCOC)[C@@H](C)C1CC1 ZINC000043977929 175133683 /nfs/dbraw/zinc/13/36/83/175133683.db2.gz YVEDEWNOIQBWOY-KGLIPLIRSA-N 1 3 256.434 2.512 10 0 CFAEHO O[C@H]1CCCCC[C@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000044162305 175147618 /nfs/dbraw/zinc/14/76/18/175147618.db2.gz SLEIYQBAVQAUOF-SJORKVTESA-N 1 3 280.456 2.630 10 0 CFAEHO CCCN1CCN([C@@H](c2ccc(C)cc2)[C@H]([NH3+])CC)CC1 ZINC000044418382 175173153 /nfs/dbraw/zinc/17/31/53/175173153.db2.gz PQKMBBKJIXXVBP-MSOLQXFVSA-N 1 3 289.467 2.801 10 0 CFAEHO CCCN1CCN([C@H](C[NH3+])C[C@H](C)c2ccccc2)CC1 ZINC000044427761 175175429 /nfs/dbraw/zinc/17/54/29/175175429.db2.gz NBHUCHRSIJOVLX-WMZOPIPTSA-N 1 3 289.467 2.535 10 0 CFAEHO CCCN1CCN([C@H](C)[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000044471603 175178080 /nfs/dbraw/zinc/17/80/80/175178080.db2.gz YPBRVYLXTQZGNS-AEFFLSMTSA-N 1 3 289.467 2.672 10 0 CFAEHO COc1ccc([C@H](C)N2CCC(C[NH3+])CC2)cc1F ZINC000044512144 175188478 /nfs/dbraw/zinc/18/84/78/175188478.db2.gz GUQUNUJKCUWIHA-NSHDSACASA-N 1 3 266.360 2.566 10 0 CFAEHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747570 175243125 /nfs/dbraw/zinc/24/31/25/175243125.db2.gz ZCUYKNZDTHHESG-LRDDRELGSA-N 1 3 262.397 2.699 10 0 CFAEHO CCCN1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071349 175301084 /nfs/dbraw/zinc/30/10/84/175301084.db2.gz AKQBATSWIPFPIC-KRWDZBQOSA-N 1 3 293.499 2.844 10 0 CFAEHO CCCN1CCC(CN)([N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071349 175301086 /nfs/dbraw/zinc/30/10/86/175301086.db2.gz AKQBATSWIPFPIC-KRWDZBQOSA-N 1 3 293.499 2.844 10 0 CFAEHO C[NH2+]C[C@@H]1CCN([C@@H](c2cccs2)C2CC2)C1 ZINC000071142596 176040348 /nfs/dbraw/zinc/04/03/48/176040348.db2.gz UFFXLMDXHQSURS-SMDDNHRTSA-N 1 3 250.411 2.741 10 0 CFAEHO c1ccc(COCCCC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000390554426 262215687 /nfs/dbraw/zinc/21/56/87/262215687.db2.gz FWSIQDDZGLKAJF-QGZVFWFLSA-N 1 3 276.424 2.715 10 0 CFAEHO C[NH2+]CC1CCN(c2ccnc3ccccc32)CC1 ZINC000053664180 277021158 /nfs/dbraw/zinc/02/11/58/277021158.db2.gz BGLOGIFZSOYKGZ-UHFFFAOYSA-N 1 3 255.365 2.671 10 0 CFAEHO CC1(C)CN(C[C@@H]2CCCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000261569204 278334537 /nfs/dbraw/zinc/33/45/37/278334537.db2.gz JPUZFWSHDVLHNY-NEPJUHHUSA-N 1 3 260.372 2.871 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1CCCNC1 ZINC000566004156 290340273 /nfs/dbraw/zinc/34/02/73/290340273.db2.gz YKNQHEZOSQSTFJ-AVGNSLFASA-N 1 3 260.372 2.790 10 0 CFAEHO C[C@H](NC[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000566004156 290340276 /nfs/dbraw/zinc/34/02/76/290340276.db2.gz YKNQHEZOSQSTFJ-AVGNSLFASA-N 1 3 260.372 2.790 10 0 CFAEHO [NH3+]CC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000070073977 303390135 /nfs/dbraw/zinc/39/01/35/303390135.db2.gz XQTRZLPBPBOUTL-CYBMUJFWSA-N 1 3 255.365 2.800 10 0 CFAEHO CC(C)C[NH2+]CCC[C@H](C)N1C[C@@H](C)OC[C@H]1C ZINC000052476622 519743654 /nfs/dbraw/zinc/74/36/54/519743654.db2.gz BDLJDQYTGMMHSG-RRFJBIMHSA-N 1 3 256.434 2.510 10 0 CFAEHO CCC[NH2+]CC1(CN2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182068 519909451 /nfs/dbraw/zinc/90/94/51/519909451.db2.gz FKYYBVOETUKJRK-CVEARBPZSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182068 519909452 /nfs/dbraw/zinc/90/94/52/519909452.db2.gz FKYYBVOETUKJRK-CVEARBPZSA-N 1 3 282.472 2.903 10 0 CFAEHO CCCNCC1(C[N@H+]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000052182068 519909456 /nfs/dbraw/zinc/90/94/56/519909456.db2.gz FKYYBVOETUKJRK-CVEARBPZSA-N 1 3 282.472 2.903 10 0 CFAEHO CCNCC1(C[N@@H+]2CCCC[C@@H]2CC)CCOCC1 ZINC000052181284 519912602 /nfs/dbraw/zinc/91/26/02/519912602.db2.gz QLQWJTQTGGKXOA-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCNCC1(C[N@H+]2CCCC[C@@H]2CC)CCOCC1 ZINC000052181284 519912605 /nfs/dbraw/zinc/91/26/05/519912605.db2.gz QLQWJTQTGGKXOA-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+]CC1(CN2CCCC[C@@H]2CC)CCOCC1 ZINC000052181284 519912608 /nfs/dbraw/zinc/91/26/08/519912608.db2.gz QLQWJTQTGGKXOA-HNNXBMFYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCCCN(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052180924 520398159 /nfs/dbraw/zinc/39/81/59/520398159.db2.gz JSAGJMXICDYXGU-UHFFFAOYSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCC[N@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052182582 520484796 /nfs/dbraw/zinc/48/47/96/520484796.db2.gz NNKTZPRZPULPJY-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO CCCC[N@@H+](CC1(CNC2CC2)CCOCC1)C1CC1 ZINC000052182582 520484804 /nfs/dbraw/zinc/48/48/04/520484804.db2.gz NNKTZPRZPULPJY-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO CCCCN(CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052182582 520484813 /nfs/dbraw/zinc/48/48/13/520484813.db2.gz NNKTZPRZPULPJY-UHFFFAOYSA-N 1 3 280.456 2.800 10 0 CFAEHO CCCN(CC[NH+](C)C)c1cccc(Cl)c1CNC ZINC000045701522 521658614 /nfs/dbraw/zinc/65/86/14/521658614.db2.gz XUGJJUNRKRKGBG-UHFFFAOYSA-N 1 3 283.847 2.837 10 0 CFAEHO CC(C)C[C@@H]1CSC(N[C@@H](C)CN2CCCCC2)=[NH+]1 ZINC000049502360 519275494 /nfs/dbraw/zinc/27/54/94/519275494.db2.gz FQIBQBRLBSLWKF-UONOGXRCSA-N 1 3 283.485 2.968 10 0 CFAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538404 519342588 /nfs/dbraw/zinc/34/25/88/519342588.db2.gz PZGSJUCOYVKGPE-KBRIMQKVSA-N 1 3 275.440 2.697 10 0 CFAEHO CC(C)[NH2+]Cc1ccoc1CN(C)[C@H]1CCSC1 ZINC000052453169 519727950 /nfs/dbraw/zinc/72/79/50/519727950.db2.gz UWICYKZTMMCBCC-ZDUSSCGKSA-N 1 3 268.426 2.715 10 0 CFAEHO CC(C)C[NH2+]Cc1occc1CN(C)[C@@H]1CCSC1 ZINC000052453663 519748751 /nfs/dbraw/zinc/74/87/51/519748751.db2.gz ZONOLMTXQXFJMB-CQSZACIVSA-N 1 3 282.453 2.963 10 0 CFAEHO CC(C)C[NH2+]Cc1occc1CN(C)[C@H]1CCSC1 ZINC000052453665 519749487 /nfs/dbraw/zinc/74/94/87/519749487.db2.gz ZONOLMTXQXFJMB-AWEZNQCLSA-N 1 3 282.453 2.963 10 0 CFAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCSC ZINC000069444450 519908068 /nfs/dbraw/zinc/90/80/68/519908068.db2.gz BNDQELOVDBZWLV-AGUYFDCRSA-N 1 3 256.459 2.735 10 0 CFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628534 519908657 /nfs/dbraw/zinc/90/86/57/519908657.db2.gz FONJUXSUUOMGOB-BMRXWSCTSA-N 1 3 266.429 2.549 10 0 CFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628534 519908658 /nfs/dbraw/zinc/90/86/58/519908658.db2.gz FONJUXSUUOMGOB-BMRXWSCTSA-N 1 3 266.429 2.549 10 0 CFAEHO CCNCC1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181095 519912888 /nfs/dbraw/zinc/91/28/88/519912888.db2.gz SGGRNFWVGLPFKM-UHFFFAOYSA-N 1 3 268.445 2.659 10 0 CFAEHO CC[NH2+]CCCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000052418224 519919484 /nfs/dbraw/zinc/91/94/84/519919484.db2.gz MOWNFIZUTXTCCW-UHFFFAOYSA-N 1 3 293.430 2.728 10 0 CFAEHO CC[NH2+]CCC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417331 519920123 /nfs/dbraw/zinc/92/01/23/519920123.db2.gz RFVMSYJDKAXCIQ-INIZCTEOSA-N 1 3 275.440 2.587 10 0 CFAEHO CCNCc1cccc(OC)c1OCCC[NH+]1CCCC1 ZINC000049331965 520005775 /nfs/dbraw/zinc/00/57/75/520005775.db2.gz LHBFVHYBJBXDLA-UHFFFAOYSA-N 1 3 292.423 2.669 10 0 CFAEHO CCN(CCCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049313094 521038180 /nfs/dbraw/zinc/03/81/80/521038180.db2.gz PHAMHVHZYWEDJK-FUNVUKJBSA-N 1 3 294.361 2.560 10 0 CFAEHO CCCC[C@@](CC)(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000069380845 521120895 /nfs/dbraw/zinc/12/08/95/521120895.db2.gz ZKTGSFOAHPMCSL-KRWDZBQOSA-N 1 3 281.488 2.844 10 0 CFAEHO C[NH2+]CCC[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419020 521998693 /nfs/dbraw/zinc/99/86/93/521998693.db2.gz NAAZOFBAQDEXIJ-CQSZACIVSA-N 1 3 295.858 2.850 10 0 CFAEHO C[NH2+]C[C@@H](C)CN1CCC(Cc2ccccc2)CC1 ZINC000052443886 522029078 /nfs/dbraw/zinc/02/90/78/522029078.db2.gz UBRMKNIQZDKCLT-OAHLLOKOSA-N 1 3 260.425 2.797 10 0 CFAEHO COC1CCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052455314 522706881 /nfs/dbraw/zinc/70/68/81/522706881.db2.gz OWSZXBRHXGQOCW-UHFFFAOYSA-N 1 3 274.364 2.502 10 0 CFAEHO CN(CCCC[NH2+]C1CC1)Cc1ccccc1F ZINC000052541344 522734957 /nfs/dbraw/zinc/73/49/57/522734957.db2.gz SCLHUZAEBXVKEJ-UHFFFAOYSA-N 1 3 250.361 2.790 10 0 CFAEHO CC[C@@H]1CN(CCCCC[NH2+]CC(C)C)CCO1 ZINC000052477307 523438046 /nfs/dbraw/zinc/43/80/46/523438046.db2.gz REKIYJGQKJXPRD-OAHLLOKOSA-N 1 3 256.434 2.513 10 0 CFAEHO CN([C@@H](C[NH2+]C1CC1)c1ccccc1)C1CCN(C)CC1 ZINC000052419950 523624045 /nfs/dbraw/zinc/62/40/45/523624045.db2.gz WZMAIRNUMBQJHD-SFHVURJKSA-N 1 3 287.451 2.506 10 0 CFAEHO COCCN(C[C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545316 523729185 /nfs/dbraw/zinc/72/91/85/523729185.db2.gz SMKQNHPLCYPHKI-GJZGRUSLSA-N 1 3 270.461 2.615 10 0 CFAEHO C[NH+](C)CC1CCN(c2ccc(Cl)cc2CN)CC1 ZINC000052857299 524050417 /nfs/dbraw/zinc/05/04/17/524050417.db2.gz HNHFCIPRPPUOOM-UHFFFAOYSA-N 1 3 281.831 2.577 10 0 CFAEHO C[C@@H](CCC[NH3+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443473 524457907 /nfs/dbraw/zinc/45/79/07/524457907.db2.gz MLYYDFXVVHCGEI-ZDUSSCGKSA-N 1 3 281.831 2.589 10 0 CFAEHO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCCN(C)C1 ZINC000049577407 525441514 /nfs/dbraw/zinc/44/15/14/525441514.db2.gz DRQVBMIZXDLIMW-WCQYABFASA-N 1 3 268.351 2.785 10 0 CFAEHO NCc1coc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373105 527264392 /nfs/dbraw/zinc/26/43/92/527264392.db2.gz OBLSOGAMSUVOPR-HNNXBMFYSA-N 1 3 256.349 2.728 10 0 CFAEHO NCc1coc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000052373105 527264397 /nfs/dbraw/zinc/26/43/97/527264397.db2.gz OBLSOGAMSUVOPR-HNNXBMFYSA-N 1 3 256.349 2.728 10 0 CFAEHO NCc1ncccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061656635 527266042 /nfs/dbraw/zinc/26/60/42/527266042.db2.gz BXVBHYJLHHWNHO-ZIAGYGMSSA-N 1 3 259.397 2.552 10 0 CFAEHO NCc1ncccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061656635 527266049 /nfs/dbraw/zinc/26/60/49/527266049.db2.gz BXVBHYJLHHWNHO-ZIAGYGMSSA-N 1 3 259.397 2.552 10 0 CFAEHO CC1(C)[C@H](NC[C@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423350335 527871685 /nfs/dbraw/zinc/87/16/85/527871685.db2.gz XJHNPCQBQLBWLJ-BBWFWOEESA-N 1 3 288.435 2.569 10 0 CFAEHO CC1(C)[C@H](NC[C@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423350337 527871929 /nfs/dbraw/zinc/87/19/29/527871929.db2.gz XJHNPCQBQLBWLJ-GVDBMIGSSA-N 1 3 288.435 2.569 10 0 CFAEHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149397 623588702 /nfs/dbraw/zinc/58/87/02/623588702.db2.gz VSNRIHKVDALSQM-JGGQBBKZSA-N 1 3 262.397 2.863 10 0 CFAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250662654 650977664 /nfs/dbraw/zinc/97/76/64/650977664.db2.gz QQCVSWTZPDQKKY-BJDJZHNGSA-N 1 3 264.335 2.825 10 0 CFAEHO CC[NH+](CC)CCNc1ccnc2cc3c(cc21)OCO3 ZINC000034548807 346318468 /nfs/dbraw/zinc/31/84/68/346318468.db2.gz XRYRKYXKOFOWDS-UHFFFAOYSA-N 1 3 287.363 2.717 10 0 CFAEHO CCC[NH+](CCC)[C@@H]1CNc2c(CN)cccc2C1 ZINC000034741374 346318900 /nfs/dbraw/zinc/31/89/00/346318900.db2.gz JWIFZHGWAAXFMM-HNNXBMFYSA-N 1 3 261.413 2.604 10 0 CFAEHO CC[N@@H+]1CCC[C@@H]1CNCc1ccnc2ccccc12 ZINC000111763328 347756312 /nfs/dbraw/zinc/75/63/12/347756312.db2.gz DFROGAGODYYXRJ-OAHLLOKOSA-N 1 3 269.392 2.809 10 0 CFAEHO CC[N@H+]1CCC[C@@H]1CNCc1ccnc2ccccc12 ZINC000111763328 347756315 /nfs/dbraw/zinc/75/63/15/347756315.db2.gz DFROGAGODYYXRJ-OAHLLOKOSA-N 1 3 269.392 2.809 10 0 CFAEHO CCC[NH+](CCC)[C@]1(CN)CCCN(C(C)C)CC1 ZINC000086846499 179354913 /nfs/dbraw/zinc/35/49/13/179354913.db2.gz NTKAMNVPWLJMJT-MRXNPFEDSA-N 1 3 269.477 2.700 10 0 CFAEHO Clc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000128882477 187395637 /nfs/dbraw/zinc/39/56/37/187395637.db2.gz VIFYANQVCKXHNB-AWEZNQCLSA-N 1 3 252.789 2.614 10 0 CFAEHO Clc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000128882477 187395638 /nfs/dbraw/zinc/39/56/38/187395638.db2.gz VIFYANQVCKXHNB-AWEZNQCLSA-N 1 3 252.789 2.614 10 0 CFAEHO Clc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128882246 187396331 /nfs/dbraw/zinc/39/63/31/187396331.db2.gz VIFYANQVCKXHNB-CQSZACIVSA-N 1 3 252.789 2.614 10 0 CFAEHO Clc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000128882246 187396332 /nfs/dbraw/zinc/39/63/32/187396332.db2.gz VIFYANQVCKXHNB-CQSZACIVSA-N 1 3 252.789 2.614 10 0 CFAEHO [NH3+]CCCNc1c2ccccc2nc2c1CCCCC2 ZINC000584904551 348733705 /nfs/dbraw/zinc/73/37/05/348733705.db2.gz CSVKJTHUOPVDSY-UHFFFAOYSA-N 1 3 269.392 2.686 10 0 CFAEHO Cc1ncsc1CN(C)CCC[C@@H]1CCCC[NH2+]1 ZINC000104443323 186003820 /nfs/dbraw/zinc/00/38/20/186003820.db2.gz IXCDXJRDWDQZDB-ZDUSSCGKSA-N 1 3 267.442 2.806 10 0 CFAEHO C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631837094 355599945 /nfs/dbraw/zinc/59/99/45/355599945.db2.gz MUBWVVQDILZCTJ-JQWIXIFHSA-N 1 3 288.313 2.612 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840524 355602702 /nfs/dbraw/zinc/60/27/02/355602702.db2.gz SYTUZBMIRYQPOU-NJZAAPMLSA-N 1 3 250.361 2.803 10 0 CFAEHO C[C@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CN ZINC000631839518 355602941 /nfs/dbraw/zinc/60/29/41/355602941.db2.gz HHCCPKGTIWALGN-BBRMVZONSA-N 1 3 254.377 2.866 10 0 CFAEHO C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CN ZINC000631839518 355602943 /nfs/dbraw/zinc/60/29/43/355602943.db2.gz HHCCPKGTIWALGN-BBRMVZONSA-N 1 3 254.377 2.866 10 0 CFAEHO CN(C[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231456506 540233839 /nfs/dbraw/zinc/23/38/39/540233839.db2.gz DTCDPRYAIVEBNE-LSDHHAIUSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@H+](C[C@@H]1CCOc2ccccc21)[C@@H]1CCCNCC1 ZINC000231456506 540233842 /nfs/dbraw/zinc/23/38/42/540233842.db2.gz DTCDPRYAIVEBNE-LSDHHAIUSA-N 1 3 274.408 2.627 10 0 CFAEHO C[N@@H+](C[C@@H]1CCOc2ccccc21)[C@@H]1CCCNCC1 ZINC000231456506 540233846 /nfs/dbraw/zinc/23/38/46/540233846.db2.gz DTCDPRYAIVEBNE-LSDHHAIUSA-N 1 3 274.408 2.627 10 0 CFAEHO COc1ccc([C@H](C)CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000180230385 189244892 /nfs/dbraw/zinc/24/48/92/189244892.db2.gz CTANBIMKIQBPBV-HUUCEWRRSA-N 1 3 276.424 2.682 10 0 CFAEHO F[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000334494378 294731400 /nfs/dbraw/zinc/73/14/00/294731400.db2.gz DMAFSIROIZWPCT-JSGCOSHPSA-N 1 3 254.393 2.874 10 0 CFAEHO Cc1ccc2nccc(NCC3CC[NH2+]CC3)c2c1 ZINC000073738636 374376563 /nfs/dbraw/zinc/37/65/63/374376563.db2.gz GCGLOCCDSBAQNJ-UHFFFAOYSA-N 1 3 255.365 2.955 10 0 CFAEHO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000133928230 377968771 /nfs/dbraw/zinc/96/87/71/377968771.db2.gz OFMLEPYMCWMSOG-WMLDXEAASA-N 1 3 287.451 2.715 10 0 CFAEHO Cc1ccc(C[C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400428539 380860090 /nfs/dbraw/zinc/86/00/90/380860090.db2.gz ZJVBENCXABWMOQ-CYZMBNFOSA-N 1 3 252.427 2.575 10 0 CFAEHO CN(Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000231457132 382864823 /nfs/dbraw/zinc/86/48/23/382864823.db2.gz QNSGAQQEDCXOCE-MRXNPFEDSA-N 1 3 269.392 2.809 10 0 CFAEHO Cc1ccc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000261596569 383525767 /nfs/dbraw/zinc/52/57/67/383525767.db2.gz AHXZXNSLRMDYCD-BBWFWOEESA-N 1 3 281.403 2.712 10 0 CFAEHO CCO[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)C12CCCC2 ZINC000262034509 383597551 /nfs/dbraw/zinc/59/75/51/383597551.db2.gz OKNWPXKSTDQONM-BZUAXINKSA-N 1 3 280.456 2.656 10 0 CFAEHO Cc1cccc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262038262 383598883 /nfs/dbraw/zinc/59/88/83/383598883.db2.gz XYUKRGVUQBYGQQ-DOTOQJQBSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000262038262 383598885 /nfs/dbraw/zinc/59/88/85/383598885.db2.gz XYUKRGVUQBYGQQ-DOTOQJQBSA-N 1 3 258.409 2.784 10 0 CFAEHO Cc1cccc([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000262038262 383598888 /nfs/dbraw/zinc/59/88/88/383598888.db2.gz XYUKRGVUQBYGQQ-DOTOQJQBSA-N 1 3 258.409 2.784 10 0 CFAEHO C[C@H](CCNC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263390 393686193 /nfs/dbraw/zinc/68/61/93/393686193.db2.gz ZEUFEDKGNARNQM-AEFFLSMTSA-N 1 3 290.451 2.617 10 0 CFAEHO C([NH2+][C@@H]1CCCNCC1)C(C1CCC1)C1CCC1 ZINC000530212323 394482085 /nfs/dbraw/zinc/48/20/85/394482085.db2.gz QDAXBJKKGDYIFJ-OAHLLOKOSA-N 1 3 250.430 2.935 10 0 CFAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@@H]12 ZINC000389222813 397539565 /nfs/dbraw/zinc/53/95/65/397539565.db2.gz WYBLVYSWJKIGBF-DJIMGWMZSA-N 1 3 256.393 2.733 10 0 CFAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179659 171044405 /nfs/dbraw/zinc/04/44/05/171044405.db2.gz HLLVJDUVLBBDQM-MRXNPFEDSA-N 1 3 295.858 2.613 10 0 CFAEHO C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1cccc(CN)c1 ZINC000022152268 171359803 /nfs/dbraw/zinc/35/98/03/171359803.db2.gz WTFBONZDUCITTC-AWEZNQCLSA-N 1 3 289.423 2.738 10 0 CFAEHO C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1cccc(CN)c1 ZINC000022152268 171359805 /nfs/dbraw/zinc/35/98/05/171359805.db2.gz WTFBONZDUCITTC-AWEZNQCLSA-N 1 3 289.423 2.738 10 0 CFAEHO COc1cc(C[NH2+]C(C)(C)C)ccc1OCCN(C)C ZINC000032127060 171713886 /nfs/dbraw/zinc/71/38/86/171713886.db2.gz FCCDQGQKHMXVSB-UHFFFAOYSA-N 1 3 280.412 2.524 10 0 CFAEHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C)C1 ZINC000037221931 173042610 /nfs/dbraw/zinc/04/26/10/173042610.db2.gz NVFKUCIVSKYEOY-JSGCOSHPSA-N 1 3 250.361 2.646 10 0 CFAEHO Cc1cc(NCC2([NH3+])CCCC2)c2ccccc2n1 ZINC000656610997 414617775 /nfs/dbraw/zinc/61/77/75/414617775.db2.gz YARHDIJCMQZYKT-UHFFFAOYSA-N 1 3 255.365 2.649 10 0 CFAEHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCNCC1 ZINC000038041088 174041191 /nfs/dbraw/zinc/04/11/91/174041191.db2.gz GXLQKOLRVFETOX-NSHDSACASA-N 1 3 252.789 2.613 10 0 CFAEHO C[C@@H](Cc1cccc(Cl)c1)NC1CC[NH2+]CC1 ZINC000038041088 174041192 /nfs/dbraw/zinc/04/11/92/174041192.db2.gz GXLQKOLRVFETOX-NSHDSACASA-N 1 3 252.789 2.613 10 0 CFAEHO C[C@@H](N)c1c(F)cccc1OCC[C@H]1CCC[N@@H+]1C ZINC000040240645 174213723 /nfs/dbraw/zinc/21/37/23/174213723.db2.gz UJYRQFVQOUPGEW-VXGBXAGGSA-N 1 3 266.360 2.709 10 0 CFAEHO C[C@@H](N)c1c(F)cccc1OCC[C@H]1CCC[N@H+]1C ZINC000040240645 174213724 /nfs/dbraw/zinc/21/37/24/174213724.db2.gz UJYRQFVQOUPGEW-VXGBXAGGSA-N 1 3 266.360 2.709 10 0 CFAEHO CC(C)CN(CCN(C)C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973093 174936801 /nfs/dbraw/zinc/93/68/01/174936801.db2.gz MSNAJPBZOYQXMT-RHSMWYFYSA-N 1 3 295.446 2.734 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC2CC2)CC1 ZINC000043123486 174976720 /nfs/dbraw/zinc/97/67/20/174976720.db2.gz HSMAHFWXOUBHFA-HOTGVXAUSA-N 1 3 293.480 2.554 10 0 CFAEHO CC[NH+](CC)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000043460063 175051068 /nfs/dbraw/zinc/05/10/68/175051068.db2.gz AHOHMIXGHUECSC-OAHLLOKOSA-N 1 3 292.423 2.968 10 0 CFAEHO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CC)c1 ZINC000043820715 175113787 /nfs/dbraw/zinc/11/37/87/175113787.db2.gz PVQIQXJCDMYSPP-LBPRGKRZSA-N 1 3 250.386 2.817 10 0 CFAEHO CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCCN(C)CC1 ZINC000043818546 175113996 /nfs/dbraw/zinc/11/39/96/175113996.db2.gz WEGZFIPYUREHOL-DLBZAZTESA-N 1 3 281.488 2.715 10 0 CFAEHO C[NH2+][C@@H](CN1CCN(C(C)C)CC1)c1ccc(C)c(C)c1 ZINC000043896986 175120133 /nfs/dbraw/zinc/12/01/33/175120133.db2.gz QYXJWUTVFMIHJJ-SFHVURJKSA-N 1 3 289.467 2.590 10 0 CFAEHO CCc1ccc([C@@H](CN2CCN(C(C)C)CC2)[NH2+]C)cc1 ZINC000043896988 175120183 /nfs/dbraw/zinc/12/01/83/175120183.db2.gz LLWSXOXFNLOSIS-GOSISDBHSA-N 1 3 289.467 2.536 10 0 CFAEHO CCC[C@H]([NH2+]C)[C@@H](CC)N(CCN(C)C)CC(C)C ZINC000043982078 175133913 /nfs/dbraw/zinc/13/39/13/175133913.db2.gz RIKQQQGEPPUMAK-JKSUJKDBSA-N 1 3 271.493 2.673 10 0 CFAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982162 175134041 /nfs/dbraw/zinc/13/40/41/175134041.db2.gz NYCSOVDHGCXMGG-ULQDDVLXSA-N 1 3 283.504 2.673 10 0 CFAEHO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(CCN(C)C)CC(C)C ZINC000043981970 175134393 /nfs/dbraw/zinc/13/43/93/175134393.db2.gz PXSLMMDCDSKXKA-AEFFLSMTSA-N 1 3 291.483 2.855 10 0 CFAEHO CCC[NH2+][C@H]1CCCC[C@H]1N(CCN(C)C)CC(C)C ZINC000043982392 175134412 /nfs/dbraw/zinc/13/44/12/175134412.db2.gz BTFSFFSRDPSLTC-DLBZAZTESA-N 1 3 283.504 2.817 10 0 CFAEHO [NH3+]CC1CCN([C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000044512011 175188200 /nfs/dbraw/zinc/18/82/00/175188200.db2.gz VESIONZZPWDHMC-SFHVURJKSA-N 1 3 281.403 2.842 10 0 CFAEHO COc1ccc([C@@H](C)N2CCC(C[NH3+])CC2)cc1F ZINC000044512146 175188254 /nfs/dbraw/zinc/18/82/54/175188254.db2.gz GUQUNUJKCUWIHA-LLVKDONJSA-N 1 3 266.360 2.566 10 0 CFAEHO CN(CC(C)(C)C)[C@@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000045070748 175301067 /nfs/dbraw/zinc/30/10/67/175301067.db2.gz IJYFIJLTGZKCAE-GOSISDBHSA-N 1 3 289.467 2.568 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045136020 175313597 /nfs/dbraw/zinc/31/35/97/175313597.db2.gz MCIJDSMNFMMFED-ZDUSSCGKSA-N 1 3 272.396 2.657 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045136020 175313598 /nfs/dbraw/zinc/31/35/98/175313598.db2.gz MCIJDSMNFMMFED-ZDUSSCGKSA-N 1 3 272.396 2.657 10 0 CFAEHO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C)c1C ZINC000045167178 175319211 /nfs/dbraw/zinc/31/92/11/175319211.db2.gz RNDPVFKNGHMQJZ-LBPRGKRZSA-N 1 3 280.460 2.758 10 0 CFAEHO C[NH2+][C@H]1CCCN(c2cc(C)nc3ccccc32)C1 ZINC000053204706 277300282 /nfs/dbraw/zinc/30/02/82/277300282.db2.gz DXVBPJNYPYZWOJ-ZDUSSCGKSA-N 1 3 255.365 2.731 10 0 CFAEHO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000227077158 280567556 /nfs/dbraw/zinc/56/75/56/280567556.db2.gz IFMZULRXTQFBBV-SMDDNHRTSA-N 1 3 255.365 2.717 10 0 CFAEHO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H]1CCCNC1 ZINC000566004157 290340291 /nfs/dbraw/zinc/34/02/91/290340291.db2.gz YKNQHEZOSQSTFJ-RWMBFGLXSA-N 1 3 260.372 2.790 10 0 CFAEHO C[C@H](NC[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000566004157 290340292 /nfs/dbraw/zinc/34/02/92/290340292.db2.gz YKNQHEZOSQSTFJ-RWMBFGLXSA-N 1 3 260.372 2.790 10 0 CFAEHO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4ccccc43)C[C@H]21 ZINC000228551678 295316998 /nfs/dbraw/zinc/31/69/98/295316998.db2.gz RTVNQMDDFIHPIN-NWANDNLSSA-N 1 3 267.376 2.798 10 0 CFAEHO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261870648 301343930 /nfs/dbraw/zinc/34/39/30/301343930.db2.gz ZATBPKNTTRTHHH-QEJZJMRPSA-N 1 3 267.376 2.717 10 0 CFAEHO c1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000133562971 304855315 /nfs/dbraw/zinc/85/53/15/304855315.db2.gz PRSJKXFWJKHMNR-ZWKOTPCHSA-N 1 3 287.451 2.555 10 0 CFAEHO CC(C)C[NH2+]CCC[C@@H](C)N1CCOC(C)(C)C1 ZINC000052481863 519743594 /nfs/dbraw/zinc/74/35/94/519743594.db2.gz XJVQAVZABNIFCQ-CQSZACIVSA-N 1 3 256.434 2.512 10 0 CFAEHO CCC[NH2+]CC1(CN(C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181779 519909395 /nfs/dbraw/zinc/90/93/95/519909395.db2.gz ODDXJOCXBWKQGD-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCNCC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181779 519909397 /nfs/dbraw/zinc/90/93/97/519909397.db2.gz ODDXJOCXBWKQGD-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCCNCC1(C[N@@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181779 519909399 /nfs/dbraw/zinc/90/93/99/519909399.db2.gz ODDXJOCXBWKQGD-AWEZNQCLSA-N 1 3 268.445 2.513 10 0 CFAEHO CCOCCN(CC)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069375046 519909542 /nfs/dbraw/zinc/90/95/42/519909542.db2.gz JBBDKBQBOXATSK-UHFFFAOYSA-N 1 3 296.377 2.795 10 0 CFAEHO CCNCc1cc(C[N@@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000052381594 519987422 /nfs/dbraw/zinc/98/74/22/519987422.db2.gz DINQQJOAXDMRBU-LBPRGKRZSA-N 1 3 250.386 2.929 10 0 CFAEHO CCNCc1cc(C[N@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000052381594 519987430 /nfs/dbraw/zinc/98/74/30/519987430.db2.gz DINQQJOAXDMRBU-LBPRGKRZSA-N 1 3 250.386 2.929 10 0 CFAEHO CC[NH2+][C@H](C)CCCCN1CCN([C@@H](C)CC)CC1 ZINC000055065113 520172548 /nfs/dbraw/zinc/17/25/48/520172548.db2.gz XGYIKMDZDIQRGT-CVEARBPZSA-N 1 3 269.477 2.571 10 0 CFAEHO CCC(C)(C)N(C)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000069429336 521307881 /nfs/dbraw/zinc/30/78/81/521307881.db2.gz XJYUNXMFKMZHQG-GFCCVEGCSA-N 1 3 277.412 2.593 10 0 CFAEHO CCC[N@H+](CC)CCOc1ccccc1CNCC ZINC000052448344 521612162 /nfs/dbraw/zinc/61/21/62/521612162.db2.gz FWGZCXOZIUDGAD-UHFFFAOYSA-N 1 3 264.413 2.907 10 0 CFAEHO CCC[N@@H+](CC)CCOc1ccccc1CNCC ZINC000052448344 521612168 /nfs/dbraw/zinc/61/21/68/521612168.db2.gz FWGZCXOZIUDGAD-UHFFFAOYSA-N 1 3 264.413 2.907 10 0 CFAEHO CC[C@@H](C)[N@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181387 522083590 /nfs/dbraw/zinc/08/35/90/522083590.db2.gz YGOBMUMDNJDKKG-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@@H](C)[N@@H+](CC)CC1(CNC2CC2)CCOCC1 ZINC000052181387 522083597 /nfs/dbraw/zinc/08/35/97/522083597.db2.gz YGOBMUMDNJDKKG-CQSZACIVSA-N 1 3 268.445 2.656 10 0 CFAEHO CC(C)[N@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000052197819 519640250 /nfs/dbraw/zinc/64/02/50/519640250.db2.gz GVLPEMPAFPZIDB-UHFFFAOYSA-N 1 3 280.456 2.656 10 0 CFAEHO CC(C)[N@@H+](CC1CC1)CC1(CNC2CC2)CCOCC1 ZINC000052197819 519640253 /nfs/dbraw/zinc/64/02/53/519640253.db2.gz GVLPEMPAFPZIDB-UHFFFAOYSA-N 1 3 280.456 2.656 10 0 CFAEHO CC(C)CC[N@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052545863 519650960 /nfs/dbraw/zinc/65/09/60/519650960.db2.gz UYJKBVAURNKEPY-UHFFFAOYSA-N 1 3 267.417 2.898 10 0 CFAEHO CC(C)CC[N@@H+](C)Cc1cc(CNCC(C)C)no1 ZINC000052545863 519650963 /nfs/dbraw/zinc/65/09/63/519650963.db2.gz UYJKBVAURNKEPY-UHFFFAOYSA-N 1 3 267.417 2.898 10 0 CFAEHO CC(C)CCOCC[NH2+]CCCN1CCCC[C@@H]1C ZINC000049265501 519668753 /nfs/dbraw/zinc/66/87/53/519668753.db2.gz YSHLRMBZPLJBOM-INIZCTEOSA-N 1 3 270.461 2.903 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2ccccc2)O1 ZINC000052417536 519723367 /nfs/dbraw/zinc/72/33/67/519723367.db2.gz JOZHCYANTIQTLO-IRXDYDNUSA-N 1 3 276.424 2.664 10 0 CFAEHO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cccc(F)c2)O1 ZINC000052425391 519723932 /nfs/dbraw/zinc/72/39/32/519723932.db2.gz AWDBFYPZWCQUCP-DLBZAZTESA-N 1 3 294.414 2.803 10 0 CFAEHO CCC[NH2+]CC1(CN(C)C[C@@H](C)CC)CCOCC1 ZINC000052181440 519910267 /nfs/dbraw/zinc/91/02/67/519910267.db2.gz WZIYQWWLEBUQDA-HNNXBMFYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181440 519910268 /nfs/dbraw/zinc/91/02/68/519910268.db2.gz WZIYQWWLEBUQDA-HNNXBMFYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCCNCC1(C[N@@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181440 519910270 /nfs/dbraw/zinc/91/02/70/519910270.db2.gz WZIYQWWLEBUQDA-HNNXBMFYSA-N 1 3 270.461 2.761 10 0 CFAEHO CCNCC1(C[N@H+](CC)C2CCCC2)CCOCC1 ZINC000052181628 519912780 /nfs/dbraw/zinc/91/27/80/519912780.db2.gz LTALXENYDGSSCV-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CCNCC1(C[N@@H+](CC)C2CCCC2)CCOCC1 ZINC000052181628 519912781 /nfs/dbraw/zinc/91/27/81/519912781.db2.gz LTALXENYDGSSCV-UHFFFAOYSA-N 1 3 268.445 2.657 10 0 CFAEHO CC[NH2+]CCC[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418222 519919736 /nfs/dbraw/zinc/91/97/36/519919736.db2.gz FBIRSAGXWARTIP-HNNXBMFYSA-N 1 3 293.430 2.726 10 0 CFAEHO CCC[NH2+]C[C@@H](C(C)C)N(CCN(C)C)CC(C)C ZINC000052503244 519920402 /nfs/dbraw/zinc/92/04/02/519920402.db2.gz UKEQMTCDGHRKTN-INIZCTEOSA-N 1 3 271.493 2.530 10 0 CFAEHO CCCCC[NH2+]C[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000055075267 520223971 /nfs/dbraw/zinc/22/39/71/520223971.db2.gz XPAIYLXMVOXIHI-HZPDHXFCSA-N 1 3 269.477 2.571 10 0 CFAEHO CC[N@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052446057 520258704 /nfs/dbraw/zinc/25/87/04/520258704.db2.gz CZYBGMGZJYKZJB-UHFFFAOYSA-N 1 3 252.358 2.951 10 0 CFAEHO CC[N@@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052446057 520258712 /nfs/dbraw/zinc/25/87/12/520258712.db2.gz CZYBGMGZJYKZJB-UHFFFAOYSA-N 1 3 252.358 2.951 10 0 CFAEHO CC1(C)CC[NH+](CCC(=O)Nc2cccc(CN)c2)CC1 ZINC000061818779 520377178 /nfs/dbraw/zinc/37/71/78/520377178.db2.gz ASDMZUSERMQSPN-UHFFFAOYSA-N 1 3 289.423 2.596 10 0 CFAEHO CCCC[N@H+](CC)CC1(CNCC)CCOCC1 ZINC000052180972 520476914 /nfs/dbraw/zinc/47/69/14/520476914.db2.gz VJKUEAPIKCLSQA-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCCC[N@@H+](CC)CC1(CNCC)CCOCC1 ZINC000052180972 520476920 /nfs/dbraw/zinc/47/69/20/520476920.db2.gz VJKUEAPIKCLSQA-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCCCN(CC)CC1(C[NH2+]CC)CCOCC1 ZINC000052180972 520476926 /nfs/dbraw/zinc/47/69/26/520476926.db2.gz VJKUEAPIKCLSQA-UHFFFAOYSA-N 1 3 256.434 2.515 10 0 CFAEHO CCCC[NH+](CCCC)CC1(CNC)CCOCC1 ZINC000052181172 520494875 /nfs/dbraw/zinc/49/48/75/520494875.db2.gz PKLNMVLZJRVVIH-UHFFFAOYSA-N 1 3 270.461 2.905 10 0 CFAEHO C[NH2+]CC1(CN2CCC(C(C)(C)C)CC2)CCOCC1 ZINC000052182098 521970160 /nfs/dbraw/zinc/97/01/60/521970160.db2.gz HBTYXOLZXDSQLS-UHFFFAOYSA-N 1 3 282.472 2.761 10 0 CFAEHO CNCC1(C[NH+]2CCC(C(C)(C)C)CC2)CCOCC1 ZINC000052182098 521970171 /nfs/dbraw/zinc/97/01/71/521970171.db2.gz HBTYXOLZXDSQLS-UHFFFAOYSA-N 1 3 282.472 2.761 10 0 CFAEHO C[NH2+]Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000052419091 522127099 /nfs/dbraw/zinc/12/70/99/522127099.db2.gz AFSULDHTHDQQRU-UHFFFAOYSA-N 1 3 266.388 2.964 10 0 CFAEHO CNCc1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000052377006 522140708 /nfs/dbraw/zinc/14/07/08/522140708.db2.gz ITDKFXJNIZVXOS-UHFFFAOYSA-N 1 3 262.397 2.517 10 0 CFAEHO CC[C@@H](C[NH2+]CC(C)C)N(CCN(C)C)CC(C)C ZINC000052503286 522547644 /nfs/dbraw/zinc/54/76/44/522547644.db2.gz SDAGOJXEPJFOBB-INIZCTEOSA-N 1 3 271.493 2.530 10 0 CFAEHO CC[C@@H]1CCC[N@@H+]1CC1(CNC(C)C)CCOCC1 ZINC000052180410 523266004 /nfs/dbraw/zinc/26/60/04/523266004.db2.gz IWNFPRDPJBLLNN-OAHLLOKOSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@@H]1CCC[N@H+]1CC1(CNC(C)C)CCOCC1 ZINC000052180410 523266012 /nfs/dbraw/zinc/26/60/12/523266012.db2.gz IWNFPRDPJBLLNN-OAHLLOKOSA-N 1 3 268.445 2.656 10 0 CFAEHO CC[C@@H]1CCCN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052180410 523266018 /nfs/dbraw/zinc/26/60/18/523266018.db2.gz IWNFPRDPJBLLNN-OAHLLOKOSA-N 1 3 268.445 2.656 10 0 CFAEHO C[C@H](CCC[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419017 524139320 /nfs/dbraw/zinc/13/93/20/524139320.db2.gz LZNVRKPZOFVKMF-CYBMUJFWSA-N 1 3 281.831 2.589 10 0 CFAEHO C[C@H](CCC[NH2+]C(C)(C)C)N1CCN(CC2CC2)CC1 ZINC000052372497 524141903 /nfs/dbraw/zinc/14/19/03/524141903.db2.gz MOHFMTATSKSYDC-OAHLLOKOSA-N 1 3 281.488 2.571 10 0 CFAEHO C[C@H](CC[NH+](C)C)NC1=NC[C@H](c2ccccc2)S1 ZINC000049559253 524162573 /nfs/dbraw/zinc/16/25/73/524162573.db2.gz QGPFEUFEPSERRJ-TZMCWYRMSA-N 1 3 277.437 2.760 10 0 CFAEHO C[C@@H](C1CC1)N(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181790 524319606 /nfs/dbraw/zinc/31/96/06/524319606.db2.gz GMNZFCDUVUTLOQ-AWEZNQCLSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@@H](C1CC1)[N@H+](C)CC1(CNC(C)(C)C)CCOCC1 ZINC000052181790 524319616 /nfs/dbraw/zinc/31/96/16/524319616.db2.gz GMNZFCDUVUTLOQ-AWEZNQCLSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@@H](C1CC1)[N@@H+](C)CC1(CNC(C)(C)C)CCOCC1 ZINC000052181790 524319624 /nfs/dbraw/zinc/31/96/24/524319624.db2.gz GMNZFCDUVUTLOQ-AWEZNQCLSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N1CCOC(C)(C)C1 ZINC000052481861 524456697 /nfs/dbraw/zinc/45/66/97/524456697.db2.gz JHWDAUJHQCMZFB-ZDUSSCGKSA-N 1 3 256.434 2.654 10 0 CFAEHO C[C@H]1C[C@H](C)C[NH+](CC2(CNC3CC3)CCOCC2)C1 ZINC000052180561 524881714 /nfs/dbraw/zinc/88/17/14/524881714.db2.gz QKRFYLZIPWMPMY-GJZGRUSLSA-N 1 3 280.456 2.513 10 0 CFAEHO C[C@H](C1CC1)N(C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181792 526205205 /nfs/dbraw/zinc/20/52/05/526205205.db2.gz GMNZFCDUVUTLOQ-CQSZACIVSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@H](C1CC1)[N@H+](C)CC1(CNC(C)(C)C)CCOCC1 ZINC000052181792 526205214 /nfs/dbraw/zinc/20/52/14/526205214.db2.gz GMNZFCDUVUTLOQ-CQSZACIVSA-N 1 3 282.472 2.902 10 0 CFAEHO C[C@H](C1CC1)[N@@H+](C)CC1(CNC(C)(C)C)CCOCC1 ZINC000052181792 526205220 /nfs/dbraw/zinc/20/52/20/526205220.db2.gz GMNZFCDUVUTLOQ-CQSZACIVSA-N 1 3 282.472 2.902 10 0 CFAEHO Cc1ccc2c(c1)nc(N)n2[C@@H](C[NH+](C)C)C(C)C ZINC000049221173 526220599 /nfs/dbraw/zinc/22/05/99/526220599.db2.gz XMKSHKRQZRWCAX-AWEZNQCLSA-N 1 3 260.385 2.686 10 0 CFAEHO [NH3+]Cc1ccoc1CO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702303 527262032 /nfs/dbraw/zinc/26/20/32/527262032.db2.gz POGIJRZOZBUKOQ-MRXNPFEDSA-N 1 3 286.375 2.529 10 0 CFAEHO CCN1CCN(c2cc(C)[nH+]c3cc(OC)ccc32)CC1 ZINC000041478755 535743033 /nfs/dbraw/zinc/74/30/33/535743033.db2.gz DTKTYIIYLQWQIL-UHFFFAOYSA-N 1 3 285.391 2.694 10 0 CFAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000396468773 574355654 /nfs/dbraw/zinc/35/56/54/574355654.db2.gz VTFNHYIZJQWSKT-UAGQMJEPSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CSC4)[C@@H]3C2)cc1 ZINC000396468773 574355658 /nfs/dbraw/zinc/35/56/58/574355658.db2.gz VTFNHYIZJQWSKT-UAGQMJEPSA-N 1 3 288.460 2.602 10 0 CFAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000396468773 574355662 /nfs/dbraw/zinc/35/56/62/574355662.db2.gz VTFNHYIZJQWSKT-UAGQMJEPSA-N 1 3 288.460 2.602 10 0 CFAEHO C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261998011 619361820 /nfs/dbraw/zinc/36/18/20/619361820.db2.gz TTYWOMHDXAOVJY-RHSMWYFYSA-N 1 3 276.399 2.789 10 0 CFAEHO CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2cc(OC)ccc21 ZINC000082509393 178076246 /nfs/dbraw/zinc/07/62/46/178076246.db2.gz PDMJXTYCDGEADY-HNNXBMFYSA-N 1 3 290.407 2.593 10 0 CFAEHO [NH3+]CCCCOc1cccc(CN2CCCCC2)c1 ZINC000034155897 346314931 /nfs/dbraw/zinc/31/49/31/346314931.db2.gz YSMRPDXIWIIOTG-UHFFFAOYSA-N 1 3 262.397 2.790 10 0 CFAEHO [NH3+]CCC1CCN(c2ccnc3ccccc32)CC1 ZINC000053705852 346551804 /nfs/dbraw/zinc/55/18/04/346551804.db2.gz FQFBYVHDSSJULL-UHFFFAOYSA-N 1 3 255.365 2.800 10 0 CFAEHO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCCN(C)CC2)(N(C)C)C1 ZINC000086818873 179348719 /nfs/dbraw/zinc/34/87/19/179348719.db2.gz MTSNUDVBJHNNRO-ZACQAIPSSA-N 1 3 281.488 2.571 10 0 CFAEHO CC(C)N1CCC[C@](CN)([N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357032 /nfs/dbraw/zinc/35/70/32/179357032.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 1 3 283.504 2.945 10 0 CFAEHO CC(C)N1CCC[C@](CN)([N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000086848176 179357035 /nfs/dbraw/zinc/35/70/35/179357035.db2.gz MRDXSHPIIMCVAU-RDJZCZTQSA-N 1 3 283.504 2.945 10 0 CFAEHO CCCC[N@H+](CC)[C@]1(CN)CCCN(CCC)CC1 ZINC000086846576 179354694 /nfs/dbraw/zinc/35/46/94/179354694.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 1 3 269.477 2.702 10 0 CFAEHO CCCC[N@@H+](CC)[C@]1(CN)CCCN(CCC)CC1 ZINC000086846576 179354696 /nfs/dbraw/zinc/35/46/96/179354696.db2.gz YJKXYTBEVGVGBS-MRXNPFEDSA-N 1 3 269.477 2.702 10 0 CFAEHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccc(F)cc3)C[C@H]12 ZINC000311738190 541029419 /nfs/dbraw/zinc/02/94/19/541029419.db2.gz ZXCQKXJVYPNAMJ-TUKIKUTGSA-N 1 3 280.412 2.587 10 0 CFAEHO C[C@@H](NCCc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000400398931 380858602 /nfs/dbraw/zinc/85/86/02/380858602.db2.gz PWJJXBRXCZWDSE-YPMHNXCESA-N 1 3 297.240 2.579 10 0 CFAEHO Cc1cc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)o1 ZINC000381215363 382518804 /nfs/dbraw/zinc/51/88/04/382518804.db2.gz WMCDJAURBSUAMN-IFUGULHKSA-N 1 3 250.386 2.874 10 0 CFAEHO Cc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)o1 ZINC000381215363 382518810 /nfs/dbraw/zinc/51/88/10/382518810.db2.gz WMCDJAURBSUAMN-IFUGULHKSA-N 1 3 250.386 2.874 10 0 CFAEHO Cc1cc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(C)o1 ZINC000381215363 382518813 /nfs/dbraw/zinc/51/88/13/382518813.db2.gz WMCDJAURBSUAMN-IFUGULHKSA-N 1 3 250.386 2.874 10 0 CFAEHO N[C@H](CCCC[NH3+])c1c(F)cccc1Br ZINC000575440124 382771841 /nfs/dbraw/zinc/77/18/41/382771841.db2.gz VNFCFRVACWVVRR-SNVBAGLBSA-N 1 3 275.165 2.717 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067051 383138098 /nfs/dbraw/zinc/13/80/98/383138098.db2.gz IJLGXYBFSXVCNN-NJAFHUGGSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H](COCc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067051 383138104 /nfs/dbraw/zinc/13/81/04/383138104.db2.gz IJLGXYBFSXVCNN-NJAFHUGGSA-N 1 3 288.435 2.808 10 0 CFAEHO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000569093367 383467410 /nfs/dbraw/zinc/46/74/10/383467410.db2.gz LXOFYPZOXCLIGC-RYRKJORJSA-N 1 3 290.451 2.960 10 0 CFAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261624172 383530749 /nfs/dbraw/zinc/53/07/49/383530749.db2.gz VAJWXVLSZRMPEZ-DRPJVOAASA-N 1 3 262.372 2.946 10 0 CFAEHO NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1c1ccccc1 ZINC000261886500 383575310 /nfs/dbraw/zinc/57/53/10/383575310.db2.gz ZEKCGLRFDFMJNP-SJORKVTESA-N 1 3 258.409 2.851 10 0 CFAEHO NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1c1ccccc1 ZINC000261886500 383575314 /nfs/dbraw/zinc/57/53/14/383575314.db2.gz ZEKCGLRFDFMJNP-SJORKVTESA-N 1 3 258.409 2.851 10 0 CFAEHO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H]1CCCNC1 ZINC000643495100 384661699 /nfs/dbraw/zinc/66/16/99/384661699.db2.gz JGMJHVNYULQNAL-AXFHLTTASA-N 1 3 252.324 2.553 10 0 CFAEHO CC[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[C@H]1[NH3+] ZINC000381645268 393565637 /nfs/dbraw/zinc/56/56/37/393565637.db2.gz XQVDCAQKSKXTHS-FRRDWIJNSA-N 1 3 260.372 2.871 10 0 CFAEHO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228081861 393773434 /nfs/dbraw/zinc/77/34/34/393773434.db2.gz IVNRXCJFBPVMKH-CHWSQXEVSA-N 1 3 255.365 2.717 10 0 CFAEHO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000261870635 393950762 /nfs/dbraw/zinc/95/07/62/393950762.db2.gz ZATBPKNTTRTHHH-AEGPPILISA-N 1 3 267.376 2.717 10 0 CFAEHO C([NH2+][C@H]1CCCNCC1)C(C1CCC1)C1CCC1 ZINC000530212321 394481952 /nfs/dbraw/zinc/48/19/52/394481952.db2.gz QDAXBJKKGDYIFJ-HNNXBMFYSA-N 1 3 250.430 2.935 10 0 CFAEHO Cc1cc(NCCC2CC[NH2+]CC2)c2ccccc2n1 ZINC000650310796 397751556 /nfs/dbraw/zinc/75/15/56/397751556.db2.gz AHKLOBSCZAIDNP-UHFFFAOYSA-N 1 3 269.392 2.767 10 0 CFAEHO C[C@@H](c1ccc(-c2nc3c([nH]2)CNCC3)cc1)[NH+]1CCCC1 ZINC000095384233 287130360 /nfs/dbraw/zinc/13/03/60/287130360.db2.gz IBSVUKZETJHECW-ZDUSSCGKSA-N 1 3 296.418 2.879 10 0 CFAEHO Cc1cccc(OC[C@@H](CC[NH3+])N2CCCCC2)c1 ZINC000020402220 171182279 /nfs/dbraw/zinc/18/22/79/171182279.db2.gz GAPOFSCZVXXSGY-OAHLLOKOSA-N 1 3 262.397 2.577 10 0 CFAEHO CC[NH+]1CCC([C@@H](C)N[C@@H](C)c2ccccn2)CC1 ZINC000037220368 173038047 /nfs/dbraw/zinc/03/80/47/173038047.db2.gz HLJCREXVFMZDQX-KGLIPLIRSA-N 1 3 261.413 2.853 10 0 CFAEHO CCCCOCCN[C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000040506736 174302091 /nfs/dbraw/zinc/30/20/91/174302091.db2.gz XFHFYTIWQRAUKB-CVEARBPZSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCCN[C@H](C)[C@H]1CCC[N@@H+](CCC)C1 ZINC000040506736 174302094 /nfs/dbraw/zinc/30/20/94/174302094.db2.gz XFHFYTIWQRAUKB-CVEARBPZSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCC[NH2+][C@H](C)[C@H]1CCCN(CCC)C1 ZINC000040506736 174302095 /nfs/dbraw/zinc/30/20/95/174302095.db2.gz XFHFYTIWQRAUKB-CVEARBPZSA-N 1 3 270.461 2.903 10 0 CFAEHO CCCCOCC[NH2+][C@@H](C)[C@H]1CCCN(CC)C1 ZINC000040506731 174302204 /nfs/dbraw/zinc/30/22/04/174302204.db2.gz UZJCJUWZDWTZHA-GJZGRUSLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000040506731 174302206 /nfs/dbraw/zinc/30/22/06/174302206.db2.gz UZJCJUWZDWTZHA-GJZGRUSLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000040506731 174302208 /nfs/dbraw/zinc/30/22/08/174302208.db2.gz UZJCJUWZDWTZHA-GJZGRUSLSA-N 1 3 256.434 2.513 10 0 CFAEHO CCOC1CCN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CC1 ZINC000040689374 174376327 /nfs/dbraw/zinc/37/63/27/174376327.db2.gz VFUNUWAAIYQHCQ-CYBMUJFWSA-N 1 3 292.423 2.716 10 0 CFAEHO CC[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(C(C)(C)C)CC1 ZINC000043123333 174975901 /nfs/dbraw/zinc/97/59/01/174975901.db2.gz LMWMWTNEIJDJCB-GJZGRUSLSA-N 1 3 295.496 2.943 10 0 CFAEHO CN(CCC[C@H]1CCC[NH2+]C1)Cc1ccsc1 ZINC000043591879 175073828 /nfs/dbraw/zinc/07/38/28/175073828.db2.gz PVZFYSCXOQYMTK-CYBMUJFWSA-N 1 3 252.427 2.960 10 0 CFAEHO CCCN1CCN([C@@H](CC)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805399 175107670 /nfs/dbraw/zinc/10/76/70/175107670.db2.gz LGNXVLOQEKBUNP-ROUUACIJSA-N 1 3 289.467 2.753 10 0 CFAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCN(C)CC1 ZINC000043815403 175112216 /nfs/dbraw/zinc/11/22/16/175112216.db2.gz GOZYTPVFHXFWMU-OIISXLGYSA-N 1 3 281.488 2.569 10 0 CFAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCN(C(C)C)CC1 ZINC000043896958 175120027 /nfs/dbraw/zinc/12/00/27/175120027.db2.gz FYHGPHMLAJVNJG-SJLPKXTDSA-N 1 3 289.467 2.670 10 0 CFAEHO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000043967938 175129288 /nfs/dbraw/zinc/12/92/88/175129288.db2.gz LCVLSDJNXQTRIN-ROUUACIJSA-N 1 3 293.499 2.715 10 0 CFAEHO C[NH2+][C@H]1CCCCCC[C@H]1N(CCN(C)C)CC(C)C ZINC000043982014 175133895 /nfs/dbraw/zinc/13/38/95/175133895.db2.gz YKWNURKEYMRDIN-DLBZAZTESA-N 1 3 283.504 2.817 10 0 CFAEHO CCC[NH2+][C@@H]1CCCC[C@@H]1N(CCN(C)C)CC(C)C ZINC000043982381 175134305 /nfs/dbraw/zinc/13/43/05/175134305.db2.gz BTFSFFSRDPSLTC-SJORKVTESA-N 1 3 283.504 2.817 10 0 CFAEHO CC[NH+]1CCC(CN[C@@H]2CCOc3ccccc32)CC1 ZINC000044517574 175190456 /nfs/dbraw/zinc/19/04/56/175190456.db2.gz OCXGFYZMUIYFAG-MRXNPFEDSA-N 1 3 274.408 2.832 10 0 CFAEHO Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@H]2CN)c1 ZINC000044558406 175203093 /nfs/dbraw/zinc/20/30/93/175203093.db2.gz LAELFWDQCWEVLQ-INIZCTEOSA-N 1 3 276.424 2.886 10 0 CFAEHO Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@H]2CN)c1 ZINC000044558406 175203095 /nfs/dbraw/zinc/20/30/95/175203095.db2.gz LAELFWDQCWEVLQ-INIZCTEOSA-N 1 3 276.424 2.886 10 0 CFAEHO CC[NH+]1CCC(N[C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747451 175243218 /nfs/dbraw/zinc/24/32/18/175243218.db2.gz XNHVFZXHELYPPT-KRWDZBQOSA-N 1 3 274.408 2.844 10 0 CFAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747324 175243239 /nfs/dbraw/zinc/24/32/39/175243239.db2.gz OPLUBJLDXYTSPT-CXAGYDPISA-N 1 3 274.408 2.701 10 0 CFAEHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747324 175243241 /nfs/dbraw/zinc/24/32/41/175243241.db2.gz OPLUBJLDXYTSPT-CXAGYDPISA-N 1 3 274.408 2.701 10 0 CFAEHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747324 175243242 /nfs/dbraw/zinc/24/32/42/175243242.db2.gz OPLUBJLDXYTSPT-CXAGYDPISA-N 1 3 274.408 2.701 10 0 CFAEHO CNC[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000071142170 176040269 /nfs/dbraw/zinc/04/02/69/176040269.db2.gz DHSZQZDNVGOJMP-ZJIFWQFVSA-N 1 3 252.446 2.989 10 0 CFAEHO CNC[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000071142170 176040267 /nfs/dbraw/zinc/04/02/67/176040267.db2.gz DHSZQZDNVGOJMP-ZJIFWQFVSA-N 1 3 252.446 2.989 10 0 CFAEHO CC(C)[NH+](CCNC1=NC[C@@H](C2CC2)S1)C(C)C ZINC000071306673 176115929 /nfs/dbraw/zinc/11/59/29/176115929.db2.gz TYKFXVRBGGCGIV-ZDUSSCGKSA-N 1 3 269.458 2.576 10 0 CFAEHO C[C@@H]1CN(CCC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000071401595 176154008 /nfs/dbraw/zinc/15/40/08/176154008.db2.gz HNTYXJCOFNBEDC-FMKPAKJESA-N 1 3 262.397 2.576 10 0 CFAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000300425438 277796358 /nfs/dbraw/zinc/79/63/58/277796358.db2.gz YMWHKTQHYHBHSB-OWCLPIDISA-N 1 3 270.461 2.615 10 0 CFAEHO CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000400506249 288060611 /nfs/dbraw/zinc/06/06/11/288060611.db2.gz DGPULFCDHXBZSZ-NOLJZWGESA-N 1 3 262.397 2.734 10 0 CFAEHO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)[C@@H]1CCCNC1 ZINC000565539878 290308090 /nfs/dbraw/zinc/30/80/90/290308090.db2.gz NZVJDHAWVOLZRD-VLSVSDDBSA-N 1 3 250.430 2.790 10 0 CFAEHO Cc1nc(C)c([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000250961308 293244933 /nfs/dbraw/zinc/24/49/33/293244933.db2.gz QEJIMBITDKNPGT-ZMLRMANQSA-N 1 3 253.415 2.538 10 0 CFAEHO CC(C)C[NH2+]Cc1ccc(CN2CC[C@H](C)C2)o1 ZINC000052484409 519747082 /nfs/dbraw/zinc/74/70/82/519747082.db2.gz BZHRPYAAVOHRQM-ZDUSSCGKSA-N 1 3 250.386 2.867 10 0 CFAEHO