smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1c3ccccc3C=Cc3ccccc31)C2 ZINC000000848767 210073078 /nfs/dbraw/zinc/07/30/78/210073078.db2.gz LXQVNBKASAWZBY-IHWFROFDSA-N 1 0 359.473 4.643 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225359783 222835566 /nfs/dbraw/zinc/83/55/66/222835566.db2.gz OZYKYKBQSAWQTO-OAHLLOKOSA-N 1 0 371.352 4.697 40 0 FJABRO CC(C)NC(=O)c1ccccc1Sc1ccccc1C[N@H+](C)C(C)C ZINC000001559276 204012615 /nfs/dbraw/zinc/01/26/15/204012615.db2.gz RJSYWZVNYLKKSP-UHFFFAOYSA-N 1 0 356.535 4.816 40 0 FJABRO O=C(NCCC[NH+]1CCCCCC1)[C@H](c1ccccc1)C1CCCCC1 ZINC000003995628 204116573 /nfs/dbraw/zinc/11/65/73/204116573.db2.gz AGKAAJMNNVUNDK-JOCHJYFZSA-N 1 0 356.554 4.733 40 0 in-vitro FJABRO CCc1oc2ccccc2c1C(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000004215843 204127160 /nfs/dbraw/zinc/12/71/60/204127160.db2.gz SNNLEHVMRDCTNG-UHFFFAOYSA-N 1 0 365.473 4.947 40 0 in-man FJABRO Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000004882283 204172259 /nfs/dbraw/zinc/17/22/59/204172259.db2.gz XHPYBPZCNXXYJY-FRIKZZABSA-N 1 0 363.505 4.702 40 0 FJABRO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005151107 204194274 /nfs/dbraw/zinc/19/42/74/204194274.db2.gz KDSGEFWXLQJWCW-OIBXWCBGSA-N 1 0 369.480 4.703 40 0 FJABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000035310753 204236269 /nfs/dbraw/zinc/23/62/69/204236269.db2.gz YJKJUICGTSPQJT-CTXDPNEZSA-N 1 0 371.594 5.000 40 0 FJABRO CC1=C[C@@H](C[NH2+]C(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442650 204280814 /nfs/dbraw/zinc/28/08/14/204280814.db2.gz CABBCXQNNORPAF-UFYCRDLUSA-N 1 0 368.525 4.527 40 0 biogenic,in-vitro FJABRO CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000067889832 204313232 /nfs/dbraw/zinc/31/32/32/204313232.db2.gz CCQBLAVNHCFPAI-UTKZUKDTSA-N 1 0 365.452 4.623 40 0 biogenic,in-vitro FJABRO CC1(C)CC(N(Cc2ccccn2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000036740472 205020759 /nfs/dbraw/zinc/02/07/59/205020759.db2.gz MOJQQOJLFOVBAB-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849626 205042913 /nfs/dbraw/zinc/04/29/13/205042913.db2.gz IGWUJLCEUCKWPH-INIZCTEOSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833398 205043247 /nfs/dbraw/zinc/04/32/47/205043247.db2.gz MMTZZBNAMWUZQO-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834278 205043310 /nfs/dbraw/zinc/04/33/10/205043310.db2.gz UKWHYFIOAFQIDD-QGZVFWFLSA-N 1 0 372.896 4.589 40 0 FJABRO O=C(NCCCc1ccccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044906288 205114166 /nfs/dbraw/zinc/11/41/66/205114166.db2.gz FTJFYTQYHMPIOK-UHFFFAOYSA-N 1 0 370.924 4.689 40 0 FJABRO CC(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000044936973 205115929 /nfs/dbraw/zinc/11/59/29/205115929.db2.gz ZPLWICLHJSCDBJ-JOCHJYFZSA-N 1 0 350.506 4.800 40 0 FJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(C)cc1 ZINC000044935730 205116290 /nfs/dbraw/zinc/11/62/90/205116290.db2.gz ARIYMTRCDYAYQP-HSZRJFAPSA-N 1 0 364.533 4.783 40 0 FJABRO CCSc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044938584 205116594 /nfs/dbraw/zinc/11/65/94/205116594.db2.gz YWHAKFKWUBZTFR-KRWDZBQOSA-N 1 0 372.509 4.788 40 0 FJABRO Cc1nnc(Nc2cccc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)n2)s1 ZINC000072376181 205523267 /nfs/dbraw/zinc/52/32/67/205523267.db2.gz NMARUWCPYUILIL-INIZCTEOSA-N 1 0 369.538 4.521 40 0 FJABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000243365747 206120568 /nfs/dbraw/zinc/12/05/68/206120568.db2.gz MCYXKRMHFACJPH-UHFFFAOYSA-N 1 0 361.493 4.559 40 0 FJABRO CCC[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1 ZINC000226776812 206123349 /nfs/dbraw/zinc/12/33/49/206123349.db2.gz MIYHHSHEEVNJEF-UHFFFAOYSA-N 1 0 352.252 4.562 40 0 FJABRO CC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717272 206217205 /nfs/dbraw/zinc/21/72/05/206217205.db2.gz XHRMPMKMSQEUBU-SBUREZEXSA-N 1 0 366.505 4.852 40 0 FJABRO COc1ccccc1C1([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CCCC1 ZINC000013998186 206307948 /nfs/dbraw/zinc/30/79/48/206307948.db2.gz WBVDDSLKLYYQJM-UHFFFAOYSA-N 1 0 359.853 4.636 40 0 FJABRO CCSc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224686634 206462914 /nfs/dbraw/zinc/46/29/14/206462914.db2.gz UEPZDIWIEOIBRO-UHFFFAOYSA-N 1 0 368.546 4.715 40 0 FJABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000022508977 211352857 /nfs/dbraw/zinc/35/28/57/211352857.db2.gz CVTHVPRWGVYUNL-OAQYLSRUSA-N 1 0 368.521 4.941 40 0 FJABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020491849 211283234 /nfs/dbraw/zinc/28/32/34/211283234.db2.gz KPJKFHHUYWUMGA-GOSISDBHSA-N 1 0 368.974 4.593 40 0 FJABRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715871 211249420 /nfs/dbraw/zinc/24/94/20/211249420.db2.gz JIBIOKCYGBPCSE-QFIPXVFZSA-N 1 0 361.489 4.741 40 0 FJABRO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019524918 211227409 /nfs/dbraw/zinc/22/74/09/211227409.db2.gz WYWAADLCRUJQMY-HXUWFJFHSA-N 1 0 368.456 4.814 40 0 FJABRO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccc3ncccc23)n1 ZINC000019293252 211213461 /nfs/dbraw/zinc/21/34/61/211213461.db2.gz HIJWZVVSGSBEQL-SFHVURJKSA-N 1 0 351.500 4.826 40 0 FJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019081793 211202644 /nfs/dbraw/zinc/20/26/44/211202644.db2.gz RFSHXPJKQABFBM-FPOVZHCZSA-N 1 0 371.569 4.577 40 0 FJABRO C[N@@H+]1CCCCCC[C@H]1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000002042211 210376415 /nfs/dbraw/zinc/37/64/15/210376415.db2.gz JFCAIPHAGUDUPW-NRFANRHFSA-N 1 0 351.490 4.626 40 0 FJABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)o1 ZINC000049170521 221020875 /nfs/dbraw/zinc/02/08/75/221020875.db2.gz HBTMFJNJVFKNBP-AWEZNQCLSA-N 1 0 357.816 4.519 40 0 biogenic,in-vitro FJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348946 221474793 /nfs/dbraw/zinc/47/47/93/221474793.db2.gz XXQZYXVEXHIYBX-LJQANCHMSA-N 1 0 361.464 4.586 40 0 FJABRO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C(C)C)n1)C2 ZINC000329067570 132373203 /nfs/dbraw/zinc/37/32/03/132373203.db2.gz YIRSUTBRYOMXKT-UHFFFAOYSA-N 1 0 366.509 4.526 40 0 FJABRO CC(C)c1nc(N2CCc3ccccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329066973 132373270 /nfs/dbraw/zinc/37/32/70/132373270.db2.gz YFHRDPXPSMNXOP-UHFFFAOYSA-N 1 0 350.510 4.907 40 0 FJABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)s1 ZINC000096047272 222000002 /nfs/dbraw/zinc/00/00/02/222000002.db2.gz NOHVFVKYCQNGKP-UHFFFAOYSA-N 1 0 374.575 4.636 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000004703990 263336770 /nfs/dbraw/zinc/33/67/70/263336770.db2.gz PMTUSRXFGSRZSB-UHFFFAOYSA-N 1 0 361.283 4.543 40 0 FJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022107501 263384715 /nfs/dbraw/zinc/38/47/15/263384715.db2.gz OKUWGZIGRPNPRP-XCLFUZPHSA-N 1 0 359.828 4.951 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000039742822 263399749 /nfs/dbraw/zinc/39/97/49/263399749.db2.gz ZTHQRQLBPQFKGT-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 ZINC000257324179 534191073 /nfs/dbraw/zinc/19/10/73/534191073.db2.gz WNOFXTDYWPXWCO-KRWDZBQOSA-N 1 0 367.493 4.504 40 0 FJABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@H+](CC4CC4)C3)c2)sc1C ZINC000257215472 534498835 /nfs/dbraw/zinc/49/88/35/534498835.db2.gz CQGIOKKGDFFRJC-QGZVFWFLSA-N 1 0 356.539 4.796 40 0 FJABRO CCOc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020042846 521397435 /nfs/dbraw/zinc/39/74/35/521397435.db2.gz RCEGAIOLQALXDZ-KRWDZBQOSA-N 1 0 352.478 4.570 40 0 FJABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020452683 524535624 /nfs/dbraw/zinc/53/56/24/524535624.db2.gz ARADLAYSKOKUOL-UXHICEINSA-N 1 0 364.533 4.670 40 0 FJABRO CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000067890030 560050115 /nfs/dbraw/zinc/05/01/15/560050115.db2.gz RJNLQZVIVKUGSY-UTKZUKDTSA-N 1 0 360.542 4.523 40 0 biogenic,in-vitro FJABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446687 560079476 /nfs/dbraw/zinc/07/94/76/560079476.db2.gz MNBXCMMNVPCGFT-ZDUSSCGKSA-N 1 0 363.358 4.710 40 0 biogenic,in-vitro FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222676282 568552642 /nfs/dbraw/zinc/55/26/42/568552642.db2.gz HZZQAQSUADGSQR-UXHICEINSA-N 1 0 374.569 4.657 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3cccc4ccccc43)CC2)cc1 ZINC000222875970 568574863 /nfs/dbraw/zinc/57/48/63/568574863.db2.gz OJHRQCRTXLDSHT-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193550 568624343 /nfs/dbraw/zinc/62/43/43/568624343.db2.gz FXRDKNFKVBBZGH-GOSISDBHSA-N 1 0 362.517 4.652 40 0 FJABRO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000223437671 568655095 /nfs/dbraw/zinc/65/50/95/568655095.db2.gz GMTWWKRMBZCHEC-LJQANCHMSA-N 1 0 350.506 4.699 40 0 FJABRO O=C(Nc1ccccc1)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096089462 570475250 /nfs/dbraw/zinc/47/52/50/570475250.db2.gz OTDVIMPNVSQIBT-NRFANRHFSA-N 1 0 369.896 4.612 40 0 FJABRO OC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCCCC2)CC1 ZINC000585281907 570491751 /nfs/dbraw/zinc/49/17/51/570491751.db2.gz SXRNXXZJSHEWET-UHFFFAOYSA-N 1 0 358.309 4.532 40 0 FJABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215613 570527572 /nfs/dbraw/zinc/52/75/72/570527572.db2.gz KJXMQVPOIUMVRT-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215458 570531536 /nfs/dbraw/zinc/53/15/36/570531536.db2.gz SCTBZBKHFKTOHC-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215444 570531720 /nfs/dbraw/zinc/53/17/20/570531720.db2.gz LMECLZAKCFBOCZ-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215787 570532949 /nfs/dbraw/zinc/53/29/49/570532949.db2.gz CSPFYTPROLJOSS-SFHVURJKSA-N 1 0 353.466 4.922 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934857 570539307 /nfs/dbraw/zinc/53/93/07/570539307.db2.gz YWLNRFLHNUCKAM-QUCCMNQESA-N 1 0 368.496 4.532 40 0 FJABRO OCc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000072348541 570546109 /nfs/dbraw/zinc/54/61/09/570546109.db2.gz WPLCXVSYRNPXHX-QFIPXVFZSA-N 1 0 358.485 4.621 40 0 FJABRO Cc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n2)cc1 ZINC000072369987 570546639 /nfs/dbraw/zinc/54/66/39/570546639.db2.gz LUGNKUKZEGHLOB-HXUWFJFHSA-N 1 0 370.456 4.583 40 0 FJABRO CCC[n+]1cc(Br)cc(-c2nc3cc(Cl)c(C)cc3[nH]2)c1 ZINC000226774348 570611349 /nfs/dbraw/zinc/61/13/49/570611349.db2.gz VDRZUFZGQBIDER-UHFFFAOYSA-N 1 0 365.682 4.652 40 0 FJABRO CCN1C(=Cc2cc(C)nc(-c3ccccc3)[n+]2C)C=Cc2ccccc21 ZINC000005316672 570623389 /nfs/dbraw/zinc/62/33/89/570623389.db2.gz UBRISJAVIYTNDW-UHFFFAOYSA-N 1 0 354.477 4.776 40 0 FJABRO CCC(CC)[NH2+][C@@H](CC)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000005498150 570628714 /nfs/dbraw/zinc/62/87/14/570628714.db2.gz YJVBMVWCNZRZOG-NRFANRHFSA-N 1 0 353.506 4.919 40 0 FJABRO S=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000007404769 570663690 /nfs/dbraw/zinc/66/36/90/570663690.db2.gz GSTAHWMIJVALCV-UHFFFAOYSA-N 1 0 373.953 4.813 40 0 FJABRO O=C(Nc1ccccc1)[C@H]([NH2+]CCc1ccccc1)c1ccc(Cl)cc1 ZINC000408734073 570684188 /nfs/dbraw/zinc/68/41/88/570684188.db2.gz HZACNJDFTPQVEW-OAQYLSRUSA-N 1 0 364.876 4.852 40 0 FJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187995 570725287 /nfs/dbraw/zinc/72/52/87/570725287.db2.gz OONUAPAENURZJM-LJQANCHMSA-N 1 0 362.473 4.632 40 0 FJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222636 570729636 /nfs/dbraw/zinc/72/96/36/570729636.db2.gz SQZKYCVQJIPWMI-FQEVSTJZSA-N 1 0 362.473 4.632 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000006949578 570785939 /nfs/dbraw/zinc/78/59/39/570785939.db2.gz DADITNUWBLDWIA-UHFFFAOYSA-N 1 0 374.912 4.816 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000006949705 570785986 /nfs/dbraw/zinc/78/59/86/570785986.db2.gz VWBZYWIEEZSEMM-UHFFFAOYSA-N 1 0 362.473 4.943 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000006949721 570785991 /nfs/dbraw/zinc/78/59/91/570785991.db2.gz VZSSCZVFTMILHZ-UHFFFAOYSA-N 1 0 361.283 4.543 40 0 FJABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063371 570797024 /nfs/dbraw/zinc/79/70/24/570797024.db2.gz JQCGSGTXHHGCJX-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000009062994 570797109 /nfs/dbraw/zinc/79/71/09/570797109.db2.gz QVXONABMMDWLRH-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO Cc1noc2nc(C3CC[NH+](Cc4cccc(C)n4)CC3)cc(C(F)F)c12 ZINC000019236176 570883645 /nfs/dbraw/zinc/88/36/45/570883645.db2.gz KWZXTIGVCKQUBD-UHFFFAOYSA-N 1 0 372.419 4.552 40 0 FJABRO CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020042170 570908985 /nfs/dbraw/zinc/90/89/85/570908985.db2.gz XQGXKDYKQSOXHU-UHFFFAOYSA-N 1 0 352.478 4.570 40 0 FJABRO CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020460242 570917006 /nfs/dbraw/zinc/91/70/06/570917006.db2.gz IBGJZGPNQKCGBP-UHFFFAOYSA-N 1 0 354.519 4.893 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1 ZINC000020492556 570918609 /nfs/dbraw/zinc/91/86/09/570918609.db2.gz QXEUMZNBRMQWHN-WZONZLPQSA-N 1 0 362.517 4.726 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 ZINC000224332565 570985452 /nfs/dbraw/zinc/98/54/52/570985452.db2.gz KVRIDOIUOUDRIC-QGZVFWFLSA-N 1 0 370.924 4.544 40 0 FJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536200 570992679 /nfs/dbraw/zinc/99/26/79/570992679.db2.gz QTAXQSLQAFJCEL-KRWDZBQOSA-N 1 0 364.961 4.885 40 0 FJABRO O=C(CCc1cccc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635435 570995658 /nfs/dbraw/zinc/99/56/58/570995658.db2.gz LICQQEJBHWQMLA-UHFFFAOYSA-N 1 0 372.512 4.685 40 0 FJABRO CC(C)Sc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627679 570995737 /nfs/dbraw/zinc/99/57/37/570995737.db2.gz GAHUXYNUQLAGIY-UHFFFAOYSA-N 1 0 368.546 4.713 40 0 FJABRO Cc1cc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224854144 571002777 /nfs/dbraw/zinc/00/27/77/571002777.db2.gz IFSRRJATPBFJFY-UHFFFAOYSA-N 1 0 350.506 4.528 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000039766399 571023415 /nfs/dbraw/zinc/02/34/15/571023415.db2.gz VACBRJNAZOEKBU-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000039762987 571023505 /nfs/dbraw/zinc/02/35/05/571023505.db2.gz WTPSYCNLPIXDNT-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768049 571023958 /nfs/dbraw/zinc/02/39/58/571023958.db2.gz CEBNDLXCWXCPIN-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755143 571024927 /nfs/dbraw/zinc/02/49/27/571024927.db2.gz MWJIHFAOOMJPCR-UHFFFAOYSA-N 1 0 362.448 4.830 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225335804 571028923 /nfs/dbraw/zinc/02/89/23/571028923.db2.gz HKYHNDGHWXBEEV-INIZCTEOSA-N 1 0 371.352 4.697 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225582276 571047022 /nfs/dbraw/zinc/04/70/22/571047022.db2.gz NBVJPQMXUSOUAE-INIZCTEOSA-N 1 0 373.488 4.646 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225581159 571047180 /nfs/dbraw/zinc/04/71/80/571047180.db2.gz RBAMYLOSANBLNK-INIZCTEOSA-N 1 0 373.488 4.646 40 0 FJABRO CC(C)c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225742215 571061104 /nfs/dbraw/zinc/06/11/04/571061104.db2.gz UJJGKFKUGHQAJM-UHFFFAOYSA-N 1 0 367.562 4.545 40 0 FJABRO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833757 571087099 /nfs/dbraw/zinc/08/70/99/571087099.db2.gz RYVXOAAXHSHOBG-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038833712 571087364 /nfs/dbraw/zinc/08/73/64/571087364.db2.gz DUAQDBYMTMKOTO-IBGZPJMESA-N 1 0 354.469 4.800 40 0 FJABRO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856938 571088453 /nfs/dbraw/zinc/08/84/53/571088453.db2.gz YPZRMCOTCHJECI-IBGZPJMESA-N 1 0 354.469 4.547 40 0 FJABRO C[N@H+](CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1 ZINC000059474714 571090762 /nfs/dbraw/zinc/09/07/62/571090762.db2.gz QEYVDIDTWNYUJV-UHFFFAOYSA-N 1 0 363.299 4.510 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873244 571103421 /nfs/dbraw/zinc/10/34/21/571103421.db2.gz IHYXIOLRAKCIQY-UHFFFAOYSA-N 1 0 364.533 4.900 40 0 FJABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935701 571105278 /nfs/dbraw/zinc/10/52/78/571105278.db2.gz QPKWTDWYEPBHIU-IFMALSPDSA-N 1 0 368.496 4.614 40 0 FJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)cc1 ZINC000044935733 571105317 /nfs/dbraw/zinc/10/53/17/571105317.db2.gz VMJVPSFFSMJPQT-QHCPKHFHSA-N 1 0 364.533 4.783 40 0 FJABRO c1nc(Nc2cc(CC[C@@H]3CCC[NH2+]3)ccn2)sc1-c1ccccc1 ZINC000143109038 571110000 /nfs/dbraw/zinc/11/00/00/571110000.db2.gz IZAIMPHQNRCJPJ-KRWDZBQOSA-N 1 0 350.491 4.633 40 0 FJABRO c1ccc(C[C@H]2CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235532 571152850 /nfs/dbraw/zinc/15/28/50/571152850.db2.gz GYFMXGMMSZSCBN-HXUWFJFHSA-N 1 0 373.500 4.510 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257296861 571159021 /nfs/dbraw/zinc/15/90/21/571159021.db2.gz REQSIJQVUNWRST-QGZVFWFLSA-N 1 0 369.484 4.631 40 0 FJABRO Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 ZINC000257307275 571160263 /nfs/dbraw/zinc/16/02/63/571160263.db2.gz SXZBDQODHWGDST-NRFANRHFSA-N 1 0 366.896 4.863 40 0 FJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348816 571180280 /nfs/dbraw/zinc/18/02/80/571180280.db2.gz JUZXULJNRYNZIV-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348939 571180515 /nfs/dbraw/zinc/18/05/15/571180515.db2.gz RVGUDWXUKDQVCZ-OAQYLSRUSA-N 1 0 357.501 4.755 40 0 FJABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348930 571180591 /nfs/dbraw/zinc/18/05/91/571180591.db2.gz QANGOWXZUMBYFP-IBGZPJMESA-N 1 0 359.473 4.532 40 0 FJABRO Clc1cccc(-c2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350085 571181480 /nfs/dbraw/zinc/18/14/80/571181480.db2.gz IFMTZGWEDIQTIO-KRWDZBQOSA-N 1 0 356.897 4.760 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358381 571183513 /nfs/dbraw/zinc/18/35/13/571183513.db2.gz NGJRYTCOOBBJKT-GOSISDBHSA-N 1 0 365.427 4.801 40 0 FJABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358353 571183528 /nfs/dbraw/zinc/18/35/28/571183528.db2.gz IHCWGRSJKDNONN-FQEVSTJZSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccc(-c2nccnc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072358511 571183539 /nfs/dbraw/zinc/18/35/39/571183539.db2.gz UMYJFGOBFSEWRI-FQEVSTJZSA-N 1 0 361.464 4.705 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358380 571183571 /nfs/dbraw/zinc/18/35/71/571183571.db2.gz NGJRYTCOOBBJKT-SFHVURJKSA-N 1 0 365.427 4.801 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358383 571183620 /nfs/dbraw/zinc/18/36/20/571183620.db2.gz FXUSMWKANQPVPF-KRWDZBQOSA-N 1 0 365.427 4.801 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358384 571183637 /nfs/dbraw/zinc/18/36/37/571183637.db2.gz PULPOUZZLQBRGM-GOSISDBHSA-N 1 0 365.427 4.801 40 0 FJABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000072369931 571185061 /nfs/dbraw/zinc/18/50/61/571185061.db2.gz WIHWMIWOOCZBEQ-MRXNPFEDSA-N 1 0 353.853 4.688 40 0 FJABRO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375267 571185621 /nfs/dbraw/zinc/18/56/21/571185621.db2.gz PMWOFRNAUCNAMR-GOSISDBHSA-N 1 0 350.491 4.927 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1C ZINC000072376434 571186151 /nfs/dbraw/zinc/18/61/51/571186151.db2.gz RJKYUCMQJXJDES-HXUWFJFHSA-N 1 0 359.477 4.569 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072379127 571187774 /nfs/dbraw/zinc/18/77/74/571187774.db2.gz NPYUVONJKATYQF-OAQYLSRUSA-N 1 0 360.505 4.770 40 0 FJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389984 571189290 /nfs/dbraw/zinc/18/92/90/571189290.db2.gz FZNMSZASNLAMLN-HXUWFJFHSA-N 1 0 362.477 4.635 40 0 FJABRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284908 571206075 /nfs/dbraw/zinc/20/60/75/571206075.db2.gz MOBWRRIAIHYXLB-INIZCTEOSA-N 1 0 352.522 4.991 40 0 in-vitro FJABRO c1nc(Nc2cc(CC[C@H]3CCC[NH2+]3)ccn2)sc1-c1ccccc1 ZINC000143109232 571263124 /nfs/dbraw/zinc/26/31/24/571263124.db2.gz IZAIMPHQNRCJPJ-QGZVFWFLSA-N 1 0 350.491 4.633 40 0 FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000033948625 571279292 /nfs/dbraw/zinc/27/92/92/571279292.db2.gz UXIGUKSHASXDNI-LJQANCHMSA-N 1 0 350.506 4.698 40 0 in-man FJABRO Cc1cc([C@@H]2CCCCC[N@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000253600413 571291869 /nfs/dbraw/zinc/29/18/69/571291869.db2.gz OSKRHTGOPLSZQM-QAPCUYQASA-N 1 0 356.466 4.508 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063374 571302556 /nfs/dbraw/zinc/30/25/56/571302556.db2.gz CCYZBFBFWSJPKB-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO Fc1ccccc1OCCc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000019743205 571327199 /nfs/dbraw/zinc/32/71/99/571327199.db2.gz WUMMXRZWFPLKDK-OAQYLSRUSA-N 1 0 365.452 4.507 40 0 FJABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3c[nH]c4ccc(OC)cc43)C2)cc1 ZINC000057745001 210208752 /nfs/dbraw/zinc/20/87/52/210208752.db2.gz OPZCOVFIQXABAJ-KRWDZBQOSA-N 1 0 350.462 4.565 40 0 FJABRO Cc1cccc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)n1 ZINC000257239623 223033564 /nfs/dbraw/zinc/03/35/64/223033564.db2.gz HQDNQVIWCHUUGO-HXUWFJFHSA-N 1 0 359.477 4.651 40 0 FJABRO Fc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)cc1 ZINC000257271735 223045836 /nfs/dbraw/zinc/04/58/36/223045836.db2.gz MZPKNPVQEUBCCH-HSZRJFAPSA-N 1 0 361.464 4.934 40 0 FJABRO COc1ccc(C2([NH2+]Cc3c[nH]c4cc(OC)ccc34)CCCC2)cc1 ZINC000012293050 219974862 /nfs/dbraw/zinc/97/48/62/219974862.db2.gz QRDGZLUIXIUJSR-UHFFFAOYSA-N 1 0 350.462 4.744 40 0 FJABRO FC(F)Oc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 ZINC000001468181 204009135 /nfs/dbraw/zinc/00/91/35/204009135.db2.gz VBKVCCAQGRDKDJ-UHFFFAOYSA-N 1 0 355.408 4.760 40 0 FJABRO COc1ccc(Cc2c3ccccc3cc[n+]2Cc2ccccc2)cc1OC ZINC000001582093 204013101 /nfs/dbraw/zinc/01/31/01/204013101.db2.gz RDDARGZQTGTWRY-UHFFFAOYSA-N 1 0 370.472 4.784 40 0 FJABRO O[C@H](c1ccccc1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000001584485 204013267 /nfs/dbraw/zinc/01/32/67/204013267.db2.gz MFMTVBIVRHGAJC-XMMPIXPASA-N 1 0 357.497 4.954 40 0 FJABRO C[C@H](C[NH+]1CCCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698624 204017401 /nfs/dbraw/zinc/01/74/01/204017401.db2.gz QZUSABKVUXHRGF-XMSQKQJNSA-N 1 0 357.925 4.892 40 0 FJABRO CC1(C)OC(=O)C2(c3ccccc3-c3ccccc32)[C@H]1[NH2+]C1CCCCC1 ZINC000004747869 204162193 /nfs/dbraw/zinc/16/21/93/204162193.db2.gz TZPRYYZAKOTJDB-NRFANRHFSA-N 1 0 361.485 4.579 40 0 FJABRO CC1(C)OC(=O)C2(c3ccccc3-c3ccccc32)[C@@H]1[NH2+]C1CCCCC1 ZINC000005497136 204212613 /nfs/dbraw/zinc/21/26/13/204212613.db2.gz TZPRYYZAKOTJDB-OAQYLSRUSA-N 1 0 361.485 4.579 40 0 FJABRO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856715 205043379 /nfs/dbraw/zinc/04/33/79/205043379.db2.gz AUXPFVHMGFJFPV-SFHVURJKSA-N 1 0 354.469 4.800 40 0 FJABRO CC(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000044936970 205116625 /nfs/dbraw/zinc/11/66/25/205116625.db2.gz ZPLWICLHJSCDBJ-QFIPXVFZSA-N 1 0 350.506 4.800 40 0 FJABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2C)cc1OC ZINC000013989902 220099729 /nfs/dbraw/zinc/09/97/29/220099729.db2.gz OGTVXHUOSKACHZ-UHFFFAOYSA-N 1 0 362.473 4.610 40 0 FJABRO O=C1N(c2ccsc2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000109770393 206062879 /nfs/dbraw/zinc/06/28/79/206062879.db2.gz YAYFOKAXRRNWPM-UHFFFAOYSA-N 1 0 364.470 4.553 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049169926 206086040 /nfs/dbraw/zinc/08/60/40/206086040.db2.gz SJQWPABZTXKMRA-KRWDZBQOSA-N 1 0 358.445 4.516 40 0 biogenic,in-vitro FJABRO Cc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 ZINC000226308531 206119972 /nfs/dbraw/zinc/11/99/72/206119972.db2.gz VGNATKIGYAZEDX-UHFFFAOYSA-N 1 0 353.804 4.932 40 0 FJABRO CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000004856948 206182213 /nfs/dbraw/zinc/18/22/13/206182213.db2.gz YDSWSSOWBIMQQI-YQQQUEKLSA-N 1 0 359.583 4.577 40 0 FJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1Cl)C2 ZINC000004886537 206184002 /nfs/dbraw/zinc/18/40/02/206184002.db2.gz ODLCYGHWFZPPJW-MQVJKMGUSA-N 1 0 365.974 4.668 40 0 FJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1cccc(Cl)c1 ZINC000004888095 206184270 /nfs/dbraw/zinc/18/42/70/206184270.db2.gz RDPRQYOCZSATPX-AYHJJNSGSA-N 1 0 374.937 4.717 40 0 FJABRO Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000057731816 206388196 /nfs/dbraw/zinc/38/81/96/206388196.db2.gz SVFQQPZSZOXLGQ-VLCRHTCISA-N 1 0 370.899 4.891 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 ZINC000022521837 211355455 /nfs/dbraw/zinc/35/54/55/211355455.db2.gz XQTDKSUFVZFWNA-MRXNPFEDSA-N 1 0 372.534 4.656 40 0 FJABRO CSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020043777 211266449 /nfs/dbraw/zinc/26/64/49/211266449.db2.gz HBKALLBXOQQKNQ-INIZCTEOSA-N 1 0 354.519 4.893 40 0 FJABRO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715872 211249409 /nfs/dbraw/zinc/24/94/09/211249409.db2.gz JIBIOKCYGBPCSE-JOCHJYFZSA-N 1 0 361.489 4.741 40 0 FJABRO Clc1ccccc1C[NH+]1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019689169 211245405 /nfs/dbraw/zinc/24/54/05/211245405.db2.gz OOAZNDWHAJUCJB-UHFFFAOYSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cnn1C ZINC000019690926 211244801 /nfs/dbraw/zinc/24/48/01/211244801.db2.gz QWDCITLXTJCYGZ-DEOSSOPVSA-N 1 0 374.532 4.668 40 0 FJABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000019563194 211233619 /nfs/dbraw/zinc/23/36/19/211233619.db2.gz UVLONVAOAIMWNB-UHFFFAOYSA-N 1 0 374.897 4.535 40 0 FJABRO Clc1cccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)c1 ZINC000019293401 211214290 /nfs/dbraw/zinc/21/42/90/211214290.db2.gz JPGHQGGXUQBIMI-UHFFFAOYSA-N 1 0 359.882 4.831 40 0 FJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2OC2CCCC2)on1 ZINC000019120594 211201109 /nfs/dbraw/zinc/20/11/09/211201109.db2.gz QLJZOCMIJIDYCD-LAUBAEHRSA-N 1 0 354.494 4.805 40 0 FJABRO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)on1 ZINC000019120743 211201016 /nfs/dbraw/zinc/20/10/16/211201016.db2.gz KLEZSDSQLDNYOJ-AWEZNQCLSA-N 1 0 374.535 4.559 40 0 FJABRO Cc1ccc(NC(=O)COc2ccccc2C[NH2+][C@@H](C)C(C)(C)C)cc1C ZINC000036612653 211125665 /nfs/dbraw/zinc/12/56/65/211125665.db2.gz RGNBHVKMVKCAOJ-SFHVURJKSA-N 1 0 368.521 4.845 40 0 FJABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019790304 220296261 /nfs/dbraw/zinc/29/62/61/220296261.db2.gz ULGPPVIOBMVUAF-QDNKXSIWSA-N 1 0 350.550 4.543 40 0 FJABRO O[C@@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc21)[C@@H]1CCCC[NH2+]1 ZINC000001733786 210367648 /nfs/dbraw/zinc/36/76/48/210367648.db2.gz AJCGFJGKPNNFGK-RXVVDRJESA-N 1 0 352.865 4.731 40 0 FJABRO O=C(Nc1ccccc1)N1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096089461 222020163 /nfs/dbraw/zinc/02/01/63/222020163.db2.gz OTDVIMPNVSQIBT-OAQYLSRUSA-N 1 0 369.896 4.612 40 0 FJABRO COc1ccc(C[NH+]2CCC3(C[C@@H](OC)c4cc(C)ccc43)CC2)cc1 ZINC000096100196 222022506 /nfs/dbraw/zinc/02/25/06/222022506.db2.gz UFNPBAABHDNWKN-JOCHJYFZSA-N 1 0 351.490 4.629 40 0 FJABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1 ZINC000007540794 263351935 /nfs/dbraw/zinc/35/19/35/263351935.db2.gz OXUZQYCYZLOOHN-IACKSGLISA-N 1 0 351.490 4.914 40 0 FJABRO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000010450029 263365795 /nfs/dbraw/zinc/36/57/95/263365795.db2.gz KEPYPGNUNVSTDZ-UHFFFAOYSA-N 1 0 368.546 4.503 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039747365 263399282 /nfs/dbraw/zinc/39/92/82/263399282.db2.gz XCSOKOMKMJGDRW-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039752338 263399444 /nfs/dbraw/zinc/39/94/44/263399444.db2.gz ZIPRHOWDJXALLK-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000039747711 263399631 /nfs/dbraw/zinc/39/96/31/263399631.db2.gz YTDCPRQZWAAINB-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]3[NH2+][C@H](Cc4ccccc4)[C@@H]1C[C@@]23C ZINC000257311509 526429144 /nfs/dbraw/zinc/42/91/44/526429144.db2.gz UJUZQOXUERKFEN-ZJQTUCFNSA-N 1 0 370.537 4.528 40 0 FJABRO CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257242790 526429284 /nfs/dbraw/zinc/42/92/84/526429284.db2.gz IEDDTNADODFDPJ-UFWNDYSESA-N 1 0 370.537 4.528 40 0 FJABRO CC[C@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C(C)C)[nH+]1 ZINC000329068963 536149204 /nfs/dbraw/zinc/14/92/04/536149204.db2.gz YSXNPIIBXISJSM-INIZCTEOSA-N 1 0 352.526 4.530 40 0 FJABRO CC1=C[C@@H](C[NH2+]CC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320833 560077085 /nfs/dbraw/zinc/07/70/85/560077085.db2.gz ZWQSQNCXZBFYLO-FHWLQOOXSA-N 1 0 354.542 4.601 40 0 biogenic,in-vitro FJABRO COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H]([NH2+]Cc4ccccc4)C3)c2C)cc1 ZINC000008636091 560210559 /nfs/dbraw/zinc/21/05/59/560210559.db2.gz ABFMQNRBTGMUPH-NHCUHLMSSA-N 1 0 373.500 4.700 40 0 biogenic,in-vitro FJABRO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000585260825 570480433 /nfs/dbraw/zinc/48/04/33/570480433.db2.gz MWRWDDUGOYJGON-OAQYLSRUSA-N 1 0 373.460 4.567 40 0 FJABRO c1csc(Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)n2)n1 ZINC000585262700 570481551 /nfs/dbraw/zinc/48/15/51/570481551.db2.gz UQRTWNRMHXIHGZ-UHFFFAOYSA-N 1 0 350.491 4.661 40 0 FJABRO Fc1ccc(-c2cnc(Nc3cc(C4CC[NH2+]CC4)ccn3)s2)c(F)c1 ZINC000585262918 570481794 /nfs/dbraw/zinc/48/17/94/570481794.db2.gz PQXKREJYBODVHY-UHFFFAOYSA-N 1 0 372.444 4.694 40 0 FJABRO C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215636 570527726 /nfs/dbraw/zinc/52/77/26/570527726.db2.gz IKRPWWDGVQMLJL-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072348688 570546207 /nfs/dbraw/zinc/54/62/07/570546207.db2.gz HSJSZYLRSQFNTP-HSZRJFAPSA-N 1 0 372.512 4.663 40 0 FJABRO OCc1ccc(-c2cccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072348687 570546254 /nfs/dbraw/zinc/54/62/54/570546254.db2.gz HSJSZYLRSQFNTP-QHCPKHFHSA-N 1 0 372.512 4.663 40 0 FJABRO Cc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)C(C)C)nc1 ZINC000005389723 570625853 /nfs/dbraw/zinc/62/58/53/570625853.db2.gz LLQAHZZCUBNWMJ-MOUTVQLLSA-N 1 0 364.533 4.615 40 0 FJABRO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@H]1CCC[N@H+](CC2)[C@H]31 ZINC000005554550 570630787 /nfs/dbraw/zinc/63/07/87/570630787.db2.gz JSWHPWDJHXROFD-QRQCRPRQSA-N 1 0 360.457 4.642 40 0 FJABRO CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000004888130 570672507 /nfs/dbraw/zinc/67/25/07/570672507.db2.gz AZZGXBSBHMXPPG-JEPFWEBQSA-N 1 0 358.570 4.505 40 0 FJABRO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004888023 570672667 /nfs/dbraw/zinc/67/26/67/570672667.db2.gz USTOUUZXGBUVQB-YQQQUEKLSA-N 1 0 367.493 4.549 40 0 FJABRO COc1ccc(C2([NH2+]Cc3c[nH]nc3-c3cccs3)CCCC2)cc1 ZINC000012147584 570723019 /nfs/dbraw/zinc/72/30/19/570723019.db2.gz ZZJZTJNZUFWGIX-UHFFFAOYSA-N 1 0 353.491 4.706 40 0 FJABRO COCCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)[C@@H](C)c1ccccn1 ZINC000012364482 570739199 /nfs/dbraw/zinc/73/91/99/570739199.db2.gz MBWFCUSAWYWLEQ-KRWDZBQOSA-N 1 0 358.913 4.866 40 0 FJABRO COCCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)[C@H](C)c1ccccn1 ZINC000012364484 570739278 /nfs/dbraw/zinc/73/92/78/570739278.db2.gz MBWFCUSAWYWLEQ-QGZVFWFLSA-N 1 0 358.913 4.866 40 0 FJABRO COc1cc2ccccc2cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006646171 570784045 /nfs/dbraw/zinc/78/40/45/570784045.db2.gz WSXACUHEVBURNH-UHFFFAOYSA-N 1 0 360.457 4.697 40 0 FJABRO Cc1ccc(SCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000009889125 570799765 /nfs/dbraw/zinc/79/97/65/570799765.db2.gz NCBBCEDVXMTMPO-UHFFFAOYSA-N 1 0 368.546 4.503 40 0 FJABRO Cc1ccc(CN(Cc2cccn2-c2cc[nH+]cc2)Cc2ccncc2)cc1 ZINC000019210177 570881890 /nfs/dbraw/zinc/88/18/90/570881890.db2.gz UCKJPGSDVKCHIF-UHFFFAOYSA-N 1 0 368.484 4.778 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccc(C)c4)CC3)o2)s1 ZINC000019234954 570882860 /nfs/dbraw/zinc/88/28/60/570882860.db2.gz BZYJHEQQELURJB-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1C ZINC000019234993 570883021 /nfs/dbraw/zinc/88/30/21/570883021.db2.gz GVDKEAARUPLPPA-LJQANCHMSA-N 1 0 350.466 4.717 40 0 FJABRO Cc1ccsc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019238596 570883554 /nfs/dbraw/zinc/88/35/54/570883554.db2.gz ZCOMQQRQGWBPOV-UHFFFAOYSA-N 1 0 357.567 4.763 40 0 FJABRO Cc1[nH]c2ccc(F)cc2c1[C@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000019581404 570895134 /nfs/dbraw/zinc/89/51/34/570895134.db2.gz MSHAKHSQENXAFY-OAQYLSRUSA-N 1 0 368.427 4.577 40 0 FJABRO O=C1[C@@H](C2CC[NH+](C3CCCC3)CC2)CCCCN1CCc1ccccc1 ZINC000019745018 570901720 /nfs/dbraw/zinc/90/17/20/570901720.db2.gz NDHUHNCELROHBB-HSZRJFAPSA-N 1 0 368.565 4.512 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1 ZINC000020492557 570918620 /nfs/dbraw/zinc/91/86/20/570918620.db2.gz QXEUMZNBRMQWHN-FDDCHVKYSA-N 1 0 362.517 4.726 40 0 FJABRO CSc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000022522533 570945632 /nfs/dbraw/zinc/94/56/32/570945632.db2.gz QQXQZYTXECEEDA-UHFFFAOYSA-N 1 0 354.519 4.893 40 0 FJABRO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224133220 570978420 /nfs/dbraw/zinc/97/84/20/570978420.db2.gz ZJORYUHZDOAPBS-UHFFFAOYSA-N 1 0 364.533 4.814 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000224977809 571008353 /nfs/dbraw/zinc/00/83/53/571008353.db2.gz ZGFKXMGJHQKLIZ-HSZRJFAPSA-N 1 0 364.533 4.667 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000225233092 571023060 /nfs/dbraw/zinc/02/30/60/571023060.db2.gz YMXJXCWKWIGHMY-IBGZPJMESA-N 1 0 364.533 4.647 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)c1 ZINC000039767235 571023526 /nfs/dbraw/zinc/02/35/26/571023526.db2.gz FGFJZSKAZSDUDT-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039768111 571024128 /nfs/dbraw/zinc/02/41/28/571024128.db2.gz UMZHKGJLFZURTE-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039753044 571024631 /nfs/dbraw/zinc/02/46/31/571024631.db2.gz AFGKWQBHKNBPSC-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220799 571027659 /nfs/dbraw/zinc/02/76/59/571027659.db2.gz TYUKMOPIVKYLJJ-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030943898 571052774 /nfs/dbraw/zinc/05/27/74/571052774.db2.gz ICJBHCNIBGPARB-FQEVSTJZSA-N 1 0 364.533 4.670 40 0 FJABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030938642 571052947 /nfs/dbraw/zinc/05/29/47/571052947.db2.gz CNWAKTILVDNPGX-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030943901 571053359 /nfs/dbraw/zinc/05/33/59/571053359.db2.gz ICJBHCNIBGPARB-HXUWFJFHSA-N 1 0 364.533 4.670 40 0 FJABRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]21 ZINC000033920773 571066968 /nfs/dbraw/zinc/06/69/68/571066968.db2.gz ORYWHTWXSGORLG-JOQQDXKJSA-N 1 0 371.521 4.505 40 0 FJABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3 ZINC000225825627 571070916 /nfs/dbraw/zinc/07/09/16/571070916.db2.gz PNZBNYAOFWLLQZ-UHFFFAOYSA-N 1 0 361.485 4.565 40 0 FJABRO Cc1cc([C@@H]2CCCCC[N@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000036719009 571081274 /nfs/dbraw/zinc/08/12/74/571081274.db2.gz QKSRVUXJRJEXMU-KXBFYZLASA-N 1 0 356.466 4.508 40 0 FJABRO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833399 571087213 /nfs/dbraw/zinc/08/72/13/571087213.db2.gz MMTZZBNAMWUZQO-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834336 571087272 /nfs/dbraw/zinc/08/72/72/571087272.db2.gz JOIQHIGMNHQIGG-QGZVFWFLSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000038833586 571087297 /nfs/dbraw/zinc/08/72/97/571087297.db2.gz VYSOUZUDKWQTDK-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835265 571087877 /nfs/dbraw/zinc/08/78/77/571087877.db2.gz JBFLJYAULQGANJ-SFHVURJKSA-N 1 0 356.897 4.753 40 0 FJABRO CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856214 571088295 /nfs/dbraw/zinc/08/82/95/571088295.db2.gz QNFDNAPVAVCKIE-HXUWFJFHSA-N 1 0 368.496 4.801 40 0 FJABRO O=C(NCCSC1CCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038852880 571088411 /nfs/dbraw/zinc/08/84/11/571088411.db2.gz BVQLZFJDYOJSEJ-UHFFFAOYSA-N 1 0 374.594 4.858 40 0 FJABRO [NH2+]=C1N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000059500971 571091516 /nfs/dbraw/zinc/09/15/16/571091516.db2.gz MTLLXUNOCJBIAC-NJDAHSKKSA-N 1 0 360.482 4.558 40 0 FJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(C)c(O)c(C)c2)s1 ZINC000043277889 571100032 /nfs/dbraw/zinc/10/00/32/571100032.db2.gz KKAYBQMZSNGQBR-UHFFFAOYSA-N 1 0 369.534 4.668 40 0 FJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(F)ccc2F)s1 ZINC000043277878 571100299 /nfs/dbraw/zinc/10/02/99/571100299.db2.gz MMLFJPUYDSEOCT-UHFFFAOYSA-N 1 0 361.461 4.624 40 0 FJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000044857221 571103594 /nfs/dbraw/zinc/10/35/94/571103594.db2.gz YUQUODMYCOEJHE-UHFFFAOYSA-N 1 0 370.496 4.879 40 0 FJABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933994 571105285 /nfs/dbraw/zinc/10/52/85/571105285.db2.gz VMPBYCBCKDQCOV-CRAIPNDOSA-N 1 0 374.887 4.569 40 0 FJABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935698 571105370 /nfs/dbraw/zinc/10/53/70/571105370.db2.gz QPKWTDWYEPBHIU-IRLDBZIGSA-N 1 0 368.496 4.614 40 0 FJABRO COCCO[C@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000382677334 571140016 /nfs/dbraw/zinc/14/00/16/571140016.db2.gz XVMNBZCDEXAKER-YHBQERECSA-N 1 0 353.506 4.663 40 0 FJABRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000575598575 571162766 /nfs/dbraw/zinc/16/27/66/571162766.db2.gz WTOAYCRIVUCNNR-UHFFFAOYSA-N 1 0 369.336 4.912 40 0 in-vitro FJABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348808 571180193 /nfs/dbraw/zinc/18/01/93/571180193.db2.gz XPGFEMDKXVPLKT-HXUWFJFHSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1cccc(Cc2cccc(C3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000072348820 571180318 /nfs/dbraw/zinc/18/03/18/571180318.db2.gz CMHMRWWZLDGHEB-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348853 571180512 /nfs/dbraw/zinc/18/05/12/571180512.db2.gz SFLHXKNHWLPAAR-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348927 571180551 /nfs/dbraw/zinc/18/05/51/571180551.db2.gz KKNMOCCHVIFDGZ-GOSISDBHSA-N 1 0 359.473 4.532 40 0 FJABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072358351 571183510 /nfs/dbraw/zinc/18/35/10/571183510.db2.gz OCGAJTNBGDKYBB-IBGZPJMESA-N 1 0 359.473 4.532 40 0 FJABRO Clc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359435 571184138 /nfs/dbraw/zinc/18/41/38/571184138.db2.gz CAKGHPPIOPNQPF-QGZVFWFLSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cnn1C ZINC000072372452 571185422 /nfs/dbraw/zinc/18/54/22/571185422.db2.gz FEHVLNLSJWBTTG-DEOSSOPVSA-N 1 0 374.532 4.668 40 0 FJABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072375104 571185441 /nfs/dbraw/zinc/18/54/41/571185441.db2.gz OZFFTBSOIXIZSJ-HXUWFJFHSA-N 1 0 359.477 4.569 40 0 FJABRO CCC[N@@H+]1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 ZINC000306129146 571213453 /nfs/dbraw/zinc/21/34/53/571213453.db2.gz HVRMBGCKDGCSBG-ZCYQVOJMSA-N 1 0 371.528 4.919 40 0 FJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2ccccc2n1 ZINC000585172044 571237565 /nfs/dbraw/zinc/23/75/65/571237565.db2.gz MENXHXZGGALHIB-UHFFFAOYSA-N 1 0 360.461 4.865 40 0 FJABRO O=C(c1ccoc1)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000601032715 571245688 /nfs/dbraw/zinc/24/56/88/571245688.db2.gz AEDOTOMIDAMDFC-UHFFFAOYSA-N 1 0 374.484 4.634 40 0 in-vitro FJABRO CCCCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000138835017 571257096 /nfs/dbraw/zinc/25/70/96/571257096.db2.gz VCCPXHWAJYWQMR-UHFFFAOYSA-N 1 0 364.533 4.917 40 0 in-vitro FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1 ZINC000252186452 571291463 /nfs/dbraw/zinc/29/14/63/571291463.db2.gz QXEUMZNBRMQWHN-MBSDFSHPSA-N 1 0 362.517 4.726 40 0 FJABRO [NH2+]=C1N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000253569767 571291750 /nfs/dbraw/zinc/29/17/50/571291750.db2.gz MTLLXUNOCJBIAC-HKBOAZHASA-N 1 0 360.482 4.558 40 0 FJABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062930 571302383 /nfs/dbraw/zinc/30/23/83/571302383.db2.gz FYKJLHSDQZSXCZ-UHFFFAOYSA-N 1 0 350.506 4.717 40 0 FJABRO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063361 571302485 /nfs/dbraw/zinc/30/24/85/571302485.db2.gz BZODGVIHDTVYIC-UHFFFAOYSA-N 1 0 362.945 4.781 40 0 FJABRO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1Cl ZINC000009063021 571302538 /nfs/dbraw/zinc/30/25/38/571302538.db2.gz AHQWXKBXHMDLGE-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(Nc1ccc(Br)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010433869 571303259 /nfs/dbraw/zinc/30/32/59/571303259.db2.gz IAJXCGJKMIDMQI-UHFFFAOYSA-N 1 0 373.294 4.687 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224757366 222820209 /nfs/dbraw/zinc/82/02/09/222820209.db2.gz QHJAYTPTNPQTRM-UHFFFAOYSA-N 1 0 350.506 4.510 40 0 FJABRO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257264182 223043065 /nfs/dbraw/zinc/04/30/65/223043065.db2.gz LTGDBMFSNIFRGU-OAQYLSRUSA-N 1 0 373.460 4.567 40 0 FJABRO O[C@@H](c1cc(-c2cccc(Cl)c2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001596776 204013177 /nfs/dbraw/zinc/01/31/77/204013177.db2.gz RFNVOGZLEKVTMA-FPOVZHCZSA-N 1 0 352.865 4.731 40 0 FJABRO Clc1cccc(-n2nc(-c3ccccc3)n[n+]2-c2cccc(Cl)c2)c1 ZINC000002527994 204043650 /nfs/dbraw/zinc/04/36/50/204043650.db2.gz SUIJFAHXHLANQU-UHFFFAOYSA-N 1 0 368.247 4.518 40 0 FJABRO CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004100019 204120863 /nfs/dbraw/zinc/12/08/63/204120863.db2.gz XVMYIMXBHZVAHC-KKPKCPPISA-N 1 0 369.505 4.647 40 0 FJABRO Cc1ccc(C[C@@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)C(C)C)nc1 ZINC000005389721 204206726 /nfs/dbraw/zinc/20/67/26/204206726.db2.gz LLQAHZZCUBNWMJ-OLKYXYMISA-N 1 0 364.533 4.615 40 0 FJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019081999 204668003 /nfs/dbraw/zinc/66/80/03/204668003.db2.gz IVVCCNCNMZKVIM-NRFANRHFSA-N 1 0 371.569 4.577 40 0 FJABRO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833395 205042352 /nfs/dbraw/zinc/04/23/52/205042352.db2.gz NCCQMHSMYRWYOQ-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833589 205042703 /nfs/dbraw/zinc/04/27/03/205042703.db2.gz ACEWWXCHRVKIBM-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833526 205043193 /nfs/dbraw/zinc/04/31/93/205043193.db2.gz GTQNAWOBWQJBDB-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038834372 205043289 /nfs/dbraw/zinc/04/32/89/205043289.db2.gz GDYFBRAVZAKHFJ-UHFFFAOYSA-N 1 0 352.478 4.714 40 0 FJABRO O=C(/C=C/c1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873249 205113060 /nfs/dbraw/zinc/11/30/60/205113060.db2.gz BOUDSIJCBXIJMN-OUKQBFOZSA-N 1 0 368.908 4.656 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000044934892 205115753 /nfs/dbraw/zinc/11/57/53/205115753.db2.gz HPSJVQSTSJFBFV-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000044935800 205116373 /nfs/dbraw/zinc/11/63/73/205116373.db2.gz IPVHGRBOBASPLL-JOCHJYFZSA-N 1 0 368.496 4.614 40 0 FJABRO Cc1c2c3ccccc3[nH]c2c2c([n+]1Nc1ccccc1)CC(C)(C)CC2=O ZINC000002101812 206151990 /nfs/dbraw/zinc/15/19/90/206151990.db2.gz HEYLRSADIFHCTO-UHFFFAOYSA-O 1 0 370.476 4.947 40 0 FJABRO CC[NH+](CC)CCCN(C(C)=O)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214934 206172768 /nfs/dbraw/zinc/17/27/68/206172768.db2.gz LTTRBODJZLWDCV-UHFFFAOYSA-N 1 0 365.930 4.548 40 0 FJABRO CCc1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774228 206388494 /nfs/dbraw/zinc/38/84/94/206388494.db2.gz NFUVFUPZSMGRAP-UYWIDEMCSA-N 1 0 355.913 4.754 40 0 FJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019081788 211201996 /nfs/dbraw/zinc/20/19/96/211201996.db2.gz RFSHXPJKQABFBM-CTNGQTDRSA-N 1 0 371.569 4.577 40 0 FJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cc3c(cc2C)OCO3)nc1 ZINC000019215459 211206482 /nfs/dbraw/zinc/20/64/82/211206482.db2.gz IHCNLUOPCIWXGA-LJQANCHMSA-N 1 0 366.486 4.562 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](CCc4ccc(F)cc4)CC3)o2)s1 ZINC000019217821 211206000 /nfs/dbraw/zinc/20/60/00/211206000.db2.gz LBUHKGRYEHQXBH-UHFFFAOYSA-N 1 0 371.481 4.668 40 0 FJABRO COc1cc2c(cc1OC)[C@@H]([C@@H]1CC=CCC1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216050 211206078 /nfs/dbraw/zinc/20/60/78/211206078.db2.gz KCOOJXQVUATHNA-AYPBNUJASA-N 1 0 364.489 4.692 40 0 FJABRO Cc1ccc(NC(=O)COc2ccccc2C[NH2+][C@H](C)C(C)(C)C)cc1C ZINC000036612654 211125355 /nfs/dbraw/zinc/12/53/55/211125355.db2.gz RGNBHVKMVKCAOJ-GOSISDBHSA-N 1 0 368.521 4.845 40 0 FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000001664587 210366238 /nfs/dbraw/zinc/36/62/38/210366238.db2.gz NGTVDHYUFBKWID-LJQANCHMSA-N 1 0 350.506 4.525 40 0 in-man FJABRO Nc1ccc(C(=O)OCCC[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000001646595 210364242 /nfs/dbraw/zinc/36/42/42/210364242.db2.gz RYOAQAYVLLERES-UHFFFAOYSA-N 1 0 358.526 4.783 40 0 FJABRO COc1cc2cccnc2c(NCCC[N@H+](CC(C)C)C2CCCC2)c1 ZINC000001653255 210363900 /nfs/dbraw/zinc/36/39/00/210363900.db2.gz JEVOQAANQNDQAF-UHFFFAOYSA-N 1 0 355.526 4.946 40 0 FJABRO CC[NH+](CC)CCn1c(Cc2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000001636919 210363168 /nfs/dbraw/zinc/36/31/68/210363168.db2.gz PWMWPLDVVMXUSM-UHFFFAOYSA-N 1 0 371.912 4.631 40 0 FJABRO C[NH+](CCC(=O)c1ccc(Cl)cc1)CCC(=O)c1ccc(Cl)cc1 ZINC000001584653 210360304 /nfs/dbraw/zinc/36/03/04/210360304.db2.gz PIQDLRQKELRXDC-UHFFFAOYSA-N 1 0 364.272 4.771 40 0 FJABRO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(NC2CCCCC2)[nH+]1 ZINC000329006332 132372420 /nfs/dbraw/zinc/37/24/20/132372420.db2.gz LDIHYLQSWUDVRH-UHFFFAOYSA-N 1 0 350.510 4.871 40 0 FJABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)CSCC[NH3+] ZINC000118916123 222512394 /nfs/dbraw/zinc/51/23/94/222512394.db2.gz QNALNJDVSSJNFL-FAWMDMTCSA-N 1 0 365.627 4.842 40 0 FJABRO Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017076372 263372345 /nfs/dbraw/zinc/37/23/45/263372345.db2.gz VKCFSRWSKBENTE-UHFFFAOYSA-N 1 0 372.896 4.652 40 0 FJABRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH3+])[C@@]4(C)CC[C@@H]32)C1 ZINC000122613015 263453801 /nfs/dbraw/zinc/45/38/01/263453801.db2.gz VJYVCSBIXCOHFV-WKDAKXDRSA-N 1 0 361.570 4.924 40 0 FJABRO CCOc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020042843 521396971 /nfs/dbraw/zinc/39/69/71/521396971.db2.gz RCEGAIOLQALXDZ-QGZVFWFLSA-N 1 0 352.478 4.570 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000020488131 522783725 /nfs/dbraw/zinc/78/37/25/522783725.db2.gz CBVRTABNIJJWRO-JOCHJYFZSA-N 1 0 350.506 4.800 40 0 FJABRO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C(C)C)[nH+]1 ZINC000329068964 535568145 /nfs/dbraw/zinc/56/81/45/535568145.db2.gz YSXNPIIBXISJSM-MRXNPFEDSA-N 1 0 352.526 4.530 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216277454 568116127 /nfs/dbraw/zinc/11/61/27/568116127.db2.gz GDTNVMDIOZZKDY-RTBURBONSA-N 1 0 350.506 4.718 40 0 FJABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000223046128 568599614 /nfs/dbraw/zinc/59/96/14/568599614.db2.gz RAMRTFUAIOZCEX-GOSISDBHSA-N 1 0 350.506 4.726 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000223046193 568599809 /nfs/dbraw/zinc/59/98/09/568599809.db2.gz RAMRTFUAIOZCEX-SFHVURJKSA-N 1 0 350.506 4.726 40 0 FJABRO CCC[C@@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000000829479 570459505 /nfs/dbraw/zinc/45/95/05/570459505.db2.gz XVMYIMXBHZVAHC-YMPRXVIZSA-N 1 0 369.505 4.647 40 0 FJABRO Clc1cccc(CN2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096214652 570479619 /nfs/dbraw/zinc/47/96/19/570479619.db2.gz SIYWCZUMGLFFJI-JOCHJYFZSA-N 1 0 354.925 4.971 40 0 FJABRO c1nc(Nc2ccc(CC[C@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263015 570481615 /nfs/dbraw/zinc/48/16/15/570481615.db2.gz VKLSTPFVXJCAQN-QGZVFWFLSA-N 1 0 350.491 4.633 40 0 FJABRO Fc1ccc(-c2cnc(Nc3ccc(CC[C@@H]4CCC[NH2+]4)cn3)s2)cc1 ZINC000585262920 570481707 /nfs/dbraw/zinc/48/17/07/570481707.db2.gz PRXYJWRJLMYWTD-KRWDZBQOSA-N 1 0 368.481 4.772 40 0 FJABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750192 570507626 /nfs/dbraw/zinc/50/76/26/570507626.db2.gz PUXUBPSPQPJCSC-MZKRTTBSSA-N 1 0 371.569 4.577 40 0 FJABRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002694361 570528000 /nfs/dbraw/zinc/52/80/00/570528000.db2.gz MBUFPEQXFYNLOA-QFIPXVFZSA-N 1 0 367.533 4.504 40 0 FJABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215341 570530852 /nfs/dbraw/zinc/53/08/52/570530852.db2.gz GYMCZHUKNAIDHB-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215518 570532072 /nfs/dbraw/zinc/53/20/72/570532072.db2.gz DSYQPTACRWJYBV-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072215814 570533012 /nfs/dbraw/zinc/53/30/12/570533012.db2.gz KWXRDMOUDJXHQQ-SFHVURJKSA-N 1 0 353.466 4.969 40 0 FJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072215874 570533293 /nfs/dbraw/zinc/53/32/93/570533293.db2.gz GGYFIXHRPVCFLA-SFHVURJKSA-N 1 0 353.466 4.969 40 0 FJABRO C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000035075097 570565346 /nfs/dbraw/zinc/56/53/46/570565346.db2.gz ZHNJYJRWQXTHLL-FTRWYGJKSA-N 1 0 374.956 4.703 40 0 FJABRO C[C@@H]1C[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 ZINC000004411230 570590177 /nfs/dbraw/zinc/59/01/77/570590177.db2.gz URSAPVYAZIFTPK-JBACZVJFSA-N 1 0 355.522 4.790 40 0 FJABRO Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000244262495 570610353 /nfs/dbraw/zinc/61/03/53/570610353.db2.gz WNKBEWLSZOOFFI-UHFFFAOYSA-N 1 0 361.493 4.559 40 0 FJABRO Cc1ccc([C@H]2C=C(c3ccc(Cl)c(Cl)c3)[NH+]=C3N=CNN32)cc1 ZINC000409061612 570717480 /nfs/dbraw/zinc/71/74/80/570717480.db2.gz YJKSIYCEUJMNMH-QGZVFWFLSA-N 1 0 357.244 4.602 40 0 FJABRO CC(C)Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000012128748 570720611 /nfs/dbraw/zinc/72/06/11/570720611.db2.gz BGQBPEKBXHMWQG-FCHUYYIVSA-N 1 0 361.489 4.580 40 0 FJABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000012120300 570720852 /nfs/dbraw/zinc/72/08/52/570720852.db2.gz DBRFBDGGQNCFGX-OAQYLSRUSA-N 1 0 363.461 4.863 40 0 FJABRO C/C(=C\c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219343 570728132 /nfs/dbraw/zinc/72/81/32/570728132.db2.gz DGUDXKJGXWCLQR-IFXJYEMKSA-N 1 0 351.465 4.744 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000006949622 570785968 /nfs/dbraw/zinc/78/59/68/570785968.db2.gz YJBQUTFZOWCHHF-UHFFFAOYSA-N 1 0 354.494 4.669 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000006949777 570786259 /nfs/dbraw/zinc/78/62/59/570786259.db2.gz HOQLUEVLMNLWMO-UHFFFAOYSA-N 1 0 361.283 4.543 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000009062599 570797287 /nfs/dbraw/zinc/79/72/87/570797287.db2.gz HOCWFSORXUFROV-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000009063282 570797323 /nfs/dbraw/zinc/79/73/23/570797323.db2.gz FKMIZCAEOSOXMU-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1C ZINC000009063190 570797337 /nfs/dbraw/zinc/79/73/37/570797337.db2.gz IJPGPHBBPFOHAJ-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)nc1 ZINC000019215512 570881913 /nfs/dbraw/zinc/88/19/13/570881913.db2.gz HROFPFRIHGCVTD-IERDGZPVSA-N 1 0 364.514 4.849 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(F)cc4)CC3)o2)s1 ZINC000019217840 570882300 /nfs/dbraw/zinc/88/23/00/570882300.db2.gz WPRYUXUWJFNTOM-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO COc1cc2c(cc1OC)[C@H]([C@H]1CC=CCC1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237828 570883502 /nfs/dbraw/zinc/88/35/02/570883502.db2.gz AMNMERCPYCDHTK-NVVBAYIOSA-N 1 0 364.489 4.692 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000020106184 570909937 /nfs/dbraw/zinc/90/99/37/570909937.db2.gz QKVUZXWSMOOBHG-AWEZNQCLSA-N 1 0 360.860 4.963 40 0 FJABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020460295 570917015 /nfs/dbraw/zinc/91/70/15/570917015.db2.gz VJBAIYKFOZFDOZ-SFHVURJKSA-N 1 0 366.505 4.958 40 0 FJABRO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022519459 570945075 /nfs/dbraw/zinc/94/50/75/570945075.db2.gz RKYWSQJVNYZWNN-UHFFFAOYSA-N 1 0 352.478 4.570 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000005254874 570955875 /nfs/dbraw/zinc/95/58/75/570955875.db2.gz WGYUNJBUDLXZGQ-PUHATCMVSA-N 1 0 369.480 4.703 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)CC1 ZINC000224330586 570984964 /nfs/dbraw/zinc/98/49/64/570984964.db2.gz BPQKTFBALMJACA-UHFFFAOYSA-N 1 0 370.924 4.544 40 0 FJABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534077 570992367 /nfs/dbraw/zinc/99/23/67/570992367.db2.gz PZJBMPJPTSGALU-UHFFFAOYSA-N 1 0 364.961 4.883 40 0 FJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534356 570992376 /nfs/dbraw/zinc/99/23/76/570992376.db2.gz JBWXHLBCPRQVTO-KRWDZBQOSA-N 1 0 364.961 4.885 40 0 FJABRO O=C(/C=C/c1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224643758 570996040 /nfs/dbraw/zinc/99/60/40/570996040.db2.gz LEHQNNZTXOGLIN-VAWYXSNFSA-N 1 0 368.908 4.656 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224643082 570996112 /nfs/dbraw/zinc/99/61/12/570996112.db2.gz OSYPIBRCDRGZEA-UHFFFAOYSA-N 1 0 364.533 4.900 40 0 FJABRO S=C(NCc1cccc(C[NH+]2CCCCC2)c1)Nc1ccc(Cl)cc1 ZINC000224703892 570997903 /nfs/dbraw/zinc/99/79/03/570997903.db2.gz LEEPCCXCABJSRN-UHFFFAOYSA-N 1 0 373.953 4.813 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)c1 ZINC000039767236 571023583 /nfs/dbraw/zinc/02/35/83/571023583.db2.gz FGFJZSKAZSDUDT-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039772555 571023940 /nfs/dbraw/zinc/02/39/40/571023940.db2.gz OUIIVKAOUCCULM-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000039772738 571024064 /nfs/dbraw/zinc/02/40/64/571024064.db2.gz KOLLQCVBQNBRPP-UHFFFAOYSA-N 1 0 350.506 4.771 40 0 FJABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039759439 571026177 /nfs/dbraw/zinc/02/61/77/571026177.db2.gz YUEDNMPIBMPGJP-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221094 571027861 /nfs/dbraw/zinc/02/78/61/571027861.db2.gz MRKUUMRIUUNSFV-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220653 571028011 /nfs/dbraw/zinc/02/80/11/571028011.db2.gz RPILTHHQYJLIRL-SFHVURJKSA-N 1 0 356.897 4.753 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000225581558 571047007 /nfs/dbraw/zinc/04/70/07/571047007.db2.gz IPEBYHSGADTIFA-INIZCTEOSA-N 1 0 353.963 4.589 40 0 FJABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225597455 571048243 /nfs/dbraw/zinc/04/82/43/571048243.db2.gz MACYHVTYEPJZJL-SFHVURJKSA-N 1 0 358.526 4.849 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 ZINC000030753995 571049471 /nfs/dbraw/zinc/04/94/71/571049471.db2.gz DWLPAZDLNKXQBO-QGZVFWFLSA-N 1 0 370.924 4.844 40 0 FJABRO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944020 571053372 /nfs/dbraw/zinc/05/33/72/571053372.db2.gz AFOYZJURLHQKKB-SFHVURJKSA-N 1 0 362.945 4.781 40 0 FJABRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]21 ZINC000033920772 571066924 /nfs/dbraw/zinc/06/69/24/571066924.db2.gz ORYWHTWXSGORLG-KHXQGVBPSA-N 1 0 371.521 4.505 40 0 FJABRO Cc1cc([C@@H]2CCCCC[N@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000036718940 571080898 /nfs/dbraw/zinc/08/08/98/571080898.db2.gz OSKRHTGOPLSZQM-YJBOKZPZSA-N 1 0 356.466 4.508 40 0 FJABRO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833394 571087354 /nfs/dbraw/zinc/08/73/54/571087354.db2.gz NCCQMHSMYRWYOQ-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000039768870 571089776 /nfs/dbraw/zinc/08/97/76/571089776.db2.gz BERKZQOZCYKIOD-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO [NH2+]=C1N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000059500974 571091408 /nfs/dbraw/zinc/09/14/08/571091408.db2.gz MTLLXUNOCJBIAC-NJYVYQBISA-N 1 0 360.482 4.558 40 0 FJABRO Cc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044909533 571104551 /nfs/dbraw/zinc/10/45/51/571104551.db2.gz PZNVZMUWDYWCHQ-UHFFFAOYSA-N 1 0 364.533 4.734 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044933465 571104841 /nfs/dbraw/zinc/10/48/41/571104841.db2.gz OKVUXVXCOPECPD-QGZVFWFLSA-N 1 0 370.924 4.738 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244044 571153596 /nfs/dbraw/zinc/15/35/96/571153596.db2.gz IJPOTLFUYYOACM-HXUWFJFHSA-N 1 0 373.460 4.567 40 0 FJABRO CCOc1cccc2c1O[C@@](C)(CCCC(C)C)[C@H]1CC3(C[NH2+]C3)CO[C@H]21 ZINC000257251056 571154403 /nfs/dbraw/zinc/15/44/03/571154403.db2.gz JPFMKNJVISOKRR-DWLFOUALSA-N 1 0 373.537 4.730 40 0 FJABRO Fc1cccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)c1 ZINC000257298972 571159268 /nfs/dbraw/zinc/15/92/68/571159268.db2.gz RODIEXREHJLNOY-QHCPKHFHSA-N 1 0 361.464 4.934 40 0 FJABRO CCCC(=O)N(c1ccccc1F)C1CC[NH+](CCc2ccccc2)CC1 ZINC000575598542 571162818 /nfs/dbraw/zinc/16/28/18/571162818.db2.gz NLSYMTDGNNFMCX-UHFFFAOYSA-N 1 0 368.496 4.666 40 0 in-vitro FJABRO CCCC(=O)N(c1ccccc1)C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000032164828 571167954 /nfs/dbraw/zinc/16/79/54/571167954.db2.gz IPIGJTVNMCMXMT-FQEVSTJZSA-N 1 0 364.533 4.915 40 0 in-vitro FJABRO CCCC(=O)N(c1ccccc1)C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000032164829 571167956 /nfs/dbraw/zinc/16/79/56/571167956.db2.gz IPIGJTVNMCMXMT-HXUWFJFHSA-N 1 0 364.533 4.915 40 0 in-vitro FJABRO Fc1cccc(-c2cnc(-c3ccncc3)c(C[NH2+]Cc3cccnc3)c2)c1 ZINC000072343217 571179755 /nfs/dbraw/zinc/17/97/55/571179755.db2.gz PYFCMHGPELFMMC-UHFFFAOYSA-N 1 0 370.431 4.635 40 0 FJABRO OCc1ccc(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000072348538 571179932 /nfs/dbraw/zinc/17/99/32/571179932.db2.gz SDKVGFRRCZJEQO-FQEVSTJZSA-N 1 0 350.506 4.753 40 0 FJABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348807 571180353 /nfs/dbraw/zinc/18/03/53/571180353.db2.gz PKQRDXMJEWTRQN-FQEVSTJZSA-N 1 0 359.473 4.532 40 0 FJABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348928 571180673 /nfs/dbraw/zinc/18/06/73/571180673.db2.gz KKNMOCCHVIFDGZ-SFHVURJKSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348942 571180680 /nfs/dbraw/zinc/18/06/80/571180680.db2.gz FPPQYDHVIICLTM-LJQANCHMSA-N 1 0 361.464 4.586 40 0 FJABRO Clc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072358161 571183257 /nfs/dbraw/zinc/18/32/57/571183257.db2.gz XXUDICWLNLEGHV-OAQYLSRUSA-N 1 0 356.897 4.642 40 0 FJABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072358337 571183483 /nfs/dbraw/zinc/18/34/83/571183483.db2.gz QNPQJTPHNFQPMB-KRWDZBQOSA-N 1 0 351.494 4.664 40 0 FJABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358352 571183505 /nfs/dbraw/zinc/18/35/05/571183505.db2.gz IHCWGRSJKDNONN-HXUWFJFHSA-N 1 0 359.473 4.532 40 0 FJABRO Clc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359434 571184210 /nfs/dbraw/zinc/18/42/10/571184210.db2.gz CAKGHPPIOPNQPF-KRWDZBQOSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375797 571185672 /nfs/dbraw/zinc/18/56/72/571185672.db2.gz NEUPZJBLTYHRNP-HXUWFJFHSA-N 1 0 359.477 4.569 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390093 571189549 /nfs/dbraw/zinc/18/95/49/571189549.db2.gz JVUZSILBIQMLPX-OAHLLOKOSA-N 1 0 357.454 4.625 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)o2)s1 ZINC000072390092 571189627 /nfs/dbraw/zinc/18/96/27/571189627.db2.gz HMUYDNZUYYWMCB-HNNXBMFYSA-N 1 0 357.454 4.625 40 0 FJABRO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCCCC4)cc3)cc2c1 ZINC000072396138 571190824 /nfs/dbraw/zinc/19/08/24/571190824.db2.gz DKOQAOPJPVQCBR-UHFFFAOYSA-N 1 0 361.489 4.829 40 0 FJABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000257259929 571204616 /nfs/dbraw/zinc/20/46/16/571204616.db2.gz LARSFAQXRPZVNA-JTAQYXEDSA-N 1 0 371.569 4.577 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000009063015 571302369 /nfs/dbraw/zinc/30/23/69/571302369.db2.gz OFARAXSESOXAGM-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000009063016 571302406 /nfs/dbraw/zinc/30/24/06/571302406.db2.gz YPCAEOOHWBDYQE-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063403 571302497 /nfs/dbraw/zinc/30/24/97/571302497.db2.gz IWEMHWNISMWZOE-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063275 571302499 /nfs/dbraw/zinc/30/24/99/571302499.db2.gz UFIPEHUIHYANTO-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000009063134 571302505 /nfs/dbraw/zinc/30/25/05/571302505.db2.gz XEWGSCLKCFIKHX-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063576 571302660 /nfs/dbraw/zinc/30/26/60/571302660.db2.gz ZCPJNOHDXUSPAI-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000009063578 571302694 /nfs/dbraw/zinc/30/26/94/571302694.db2.gz YMTKGKGDRGORGW-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000009063597 571302749 /nfs/dbraw/zinc/30/27/49/571302749.db2.gz YRLIGBOYJFGZRH-UHFFFAOYSA-N 1 0 354.469 4.602 40 0 FJABRO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912832 571306214 /nfs/dbraw/zinc/30/62/14/571306214.db2.gz SVAWLAPZEJNREM-LPHOPBHVSA-N 1 0 368.908 4.530 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 ZINC000224332613 222812437 /nfs/dbraw/zinc/81/24/37/222812437.db2.gz KVRIDOIUOUDRIC-KRWDZBQOSA-N 1 0 370.924 4.544 40 0 FJABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224745877 222820826 /nfs/dbraw/zinc/82/08/26/222820826.db2.gz MQHADJPQLBAHGJ-SFHVURJKSA-N 1 0 366.505 4.562 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257232804 223031125 /nfs/dbraw/zinc/03/11/25/223031125.db2.gz GMMHHNCRBYTWGS-INIZCTEOSA-N 1 0 355.457 4.635 40 0 FJABRO CC[NH+](CC)CCCNc1ncnc2c1[C@H](c1ccccc1)c1ccccc1-2 ZINC000005561567 204216418 /nfs/dbraw/zinc/21/64/18/204216418.db2.gz JMYXGRPOCSHCQW-OAQYLSRUSA-N 1 0 372.516 4.781 40 0 FJABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000035446713 204283038 /nfs/dbraw/zinc/28/30/38/204283038.db2.gz QFOFLCNRHOWJKC-HNNXBMFYSA-N 1 0 359.395 4.880 40 0 biogenic,in-vitro FJABRO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038836584 205042718 /nfs/dbraw/zinc/04/27/18/205042718.db2.gz CCQBIQNEJKSQSR-UHFFFAOYSA-N 1 0 368.546 4.585 40 0 FJABRO CN(C)c1cc[n+](C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000044069253 205107182 /nfs/dbraw/zinc/10/71/82/205107182.db2.gz LFQQQDTYKSZELK-UHFFFAOYSA-N 1 0 365.500 4.880 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1C ZINC000044856712 205113776 /nfs/dbraw/zinc/11/37/76/205113776.db2.gz YAYLFGMUFSMCAE-JOCHJYFZSA-N 1 0 350.506 4.780 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934854 205116654 /nfs/dbraw/zinc/11/66/54/205116654.db2.gz YWLNRFLHNUCKAM-AZUAARDMSA-N 1 0 368.496 4.532 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013674033 220083596 /nfs/dbraw/zinc/08/35/96/220083596.db2.gz MHPNFTJMVGDIIC-QFIPXVFZSA-N 1 0 350.506 4.738 40 0 FJABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc2ncccc12 ZINC000043277834 205102855 /nfs/dbraw/zinc/10/28/55/205102855.db2.gz CXAYWYPIOWSWIR-UHFFFAOYSA-N 1 0 374.463 4.663 40 0 FJABRO Cc1ccsc1C[N@H+](CCCO)Cc1ccc2cccc(Cl)c2n1 ZINC000013997376 220101170 /nfs/dbraw/zinc/10/11/70/220101170.db2.gz NOIXEQUSKOXZAJ-UHFFFAOYSA-N 1 0 360.910 4.643 40 0 FJABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000244416249 206120657 /nfs/dbraw/zinc/12/06/57/206120657.db2.gz YQXOYANQUFBOLO-UHFFFAOYSA-N 1 0 367.884 4.514 40 0 FJABRO COc1ccc(C[NH2+][C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 ZINC000008636108 206216435 /nfs/dbraw/zinc/21/64/35/206216435.db2.gz RXRQAWMPXSPDQF-NHCUHLMSSA-N 1 0 373.500 4.700 40 0 biogenic,in-vitro FJABRO COc1ccccc1[C@@H](CC[NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccco1 ZINC000103458783 206234486 /nfs/dbraw/zinc/23/44/86/206234486.db2.gz ADZJVPMVUQQIJT-KPLVRAHFSA-N 1 0 357.494 4.603 40 0 FJABRO CC(C)(C)n1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000014001560 206307365 /nfs/dbraw/zinc/30/73/65/206307365.db2.gz IDQUYRLKDSSECS-UHFFFAOYSA-N 1 0 368.500 4.671 40 0 FJABRO COc1ccc(C2([NH2+]Cc3ccc4cc(OC)ccc4n3)CCCC2)cc1 ZINC000013998224 206307708 /nfs/dbraw/zinc/30/77/08/206307708.db2.gz YDERMXCSIYZAIC-UHFFFAOYSA-N 1 0 362.473 4.811 40 0 FJABRO COc1cccc(-c2ccc(C[N@H+](C)CCCn3nc(C)cc3C)cc2)c1 ZINC000019719779 211251591 /nfs/dbraw/zinc/25/15/91/211251591.db2.gz QLEMTNJXWFTRCZ-UHFFFAOYSA-N 1 0 363.505 4.698 40 0 FJABRO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 ZINC000019583835 211236890 /nfs/dbraw/zinc/23/68/90/211236890.db2.gz KNHJGEQYBMRCAQ-HXUWFJFHSA-N 1 0 368.456 4.640 40 0 FJABRO C[C@@H](C[N@H+](C)Cc1c2cccnc2[nH]c1C1CCOCC1)c1ccccc1 ZINC000019455969 211223220 /nfs/dbraw/zinc/22/32/20/211223220.db2.gz TTWYRXKUCDNSBF-KRWDZBQOSA-N 1 0 363.505 4.692 40 0 FJABRO CC(C)c1ccc(N2CC3(CC[NH+](Cc4ccccc4)CC3)OC2=O)cc1 ZINC000019453317 211223029 /nfs/dbraw/zinc/22/30/29/211223029.db2.gz NRDMAEPRJAFVFM-UHFFFAOYSA-N 1 0 364.489 4.801 40 0 FJABRO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)c1C ZINC000019234994 211210328 /nfs/dbraw/zinc/21/03/28/211210328.db2.gz GVDKEAARUPLPPA-IBGZPJMESA-N 1 0 350.466 4.717 40 0 FJABRO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)cc1OC ZINC000019237641 211209274 /nfs/dbraw/zinc/20/92/74/211209274.db2.gz KTCJDNWKGKEWEC-SFHVURJKSA-N 1 0 368.502 4.542 40 0 FJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019081795 211202598 /nfs/dbraw/zinc/20/25/98/211202598.db2.gz RFSHXPJKQABFBM-PZJWPPBQSA-N 1 0 371.569 4.577 40 0 FJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(OC3CCCC3)cc2)on1 ZINC000019120564 211202609 /nfs/dbraw/zinc/20/26/09/211202609.db2.gz GBZYTQRHVFLHDZ-PGRDOPGGSA-N 1 0 354.494 4.805 40 0 FJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cc3c(cc2C)OCO3)nc1 ZINC000019215461 211205695 /nfs/dbraw/zinc/20/56/95/211205695.db2.gz IHCNLUOPCIWXGA-IBGZPJMESA-N 1 0 366.486 4.562 40 0 FJABRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000001688500 210365079 /nfs/dbraw/zinc/36/50/79/210365079.db2.gz UQNYLRPFZWLLMC-MOPGFXCFSA-N 1 0 361.407 4.545 40 0 FJABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329042561 132372703 /nfs/dbraw/zinc/37/27/03/132372703.db2.gz SNVCVHRPHRJZMY-UHFFFAOYSA-N 1 0 356.901 4.610 40 0 FJABRO CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000329035299 132372749 /nfs/dbraw/zinc/37/27/49/132372749.db2.gz RCOKDKABWXJZMT-KRWDZBQOSA-N 1 0 364.537 4.718 40 0 FJABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(NC2CCCC2)[nH+]1 ZINC000329068614 132373336 /nfs/dbraw/zinc/37/33/36/132373336.db2.gz YRHGGXGKULBSDU-MRXNPFEDSA-N 1 0 350.510 4.906 40 0 FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000001664586 263144318 /nfs/dbraw/zinc/14/43/18/263144318.db2.gz NGTVDHYUFBKWID-IBGZPJMESA-N 1 0 350.506 4.525 40 0 in-man FJABRO COc1cccc(C=Cc2[o+]c3c(cccc3OC)cc2C(C)=O)c1O ZINC000005379179 263340984 /nfs/dbraw/zinc/34/09/84/263340984.db2.gz PRBANZHYULZLLJ-UHFFFAOYSA-O 1 0 351.378 4.810 40 0 FJABRO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010313931 263364425 /nfs/dbraw/zinc/36/44/25/263364425.db2.gz ALZCPQDTWJBQPA-UHFFFAOYSA-N 1 0 370.496 4.802 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(C)C)CC2)c1 ZINC000039754931 263399678 /nfs/dbraw/zinc/39/96/78/263399678.db2.gz NTPTTXKLGJHMPH-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039748726 263399694 /nfs/dbraw/zinc/39/96/94/263399694.db2.gz OEKPLSAPIMTESG-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039754677 263399719 /nfs/dbraw/zinc/39/97/19/263399719.db2.gz XMFDOFXAXRQBHC-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000216386865 523227947 /nfs/dbraw/zinc/22/79/47/523227947.db2.gz LQSAOFMMEBPTSW-UHFFFAOYSA-N 1 0 356.897 4.598 40 0 FJABRO O=C(NCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000222778166 568562030 /nfs/dbraw/zinc/56/20/30/568562030.db2.gz CCIMAQYRKXPXIU-UHFFFAOYSA-N 1 0 358.485 4.756 40 0 FJABRO Fc1ccc(-c2cnc(Nc3ccc(CC[C@H]4CCC[NH2+]4)cn3)s2)cc1 ZINC000585262923 570481964 /nfs/dbraw/zinc/48/19/64/570481964.db2.gz PRXYJWRJLMYWTD-QGZVFWFLSA-N 1 0 368.481 4.772 40 0 FJABRO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214427 570529950 /nfs/dbraw/zinc/52/99/50/570529950.db2.gz YFKHCEBUNWUNAQ-IBGZPJMESA-N 1 0 367.493 4.790 40 0 FJABRO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214307 570530061 /nfs/dbraw/zinc/53/00/61/570530061.db2.gz ZNEMIIZGZRDHHN-SFHVURJKSA-N 1 0 353.466 4.766 40 0 FJABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215340 570530913 /nfs/dbraw/zinc/53/09/13/570530913.db2.gz GYMCZHUKNAIDHB-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215403 570531424 /nfs/dbraw/zinc/53/14/24/570531424.db2.gz JXJLCIGWNFFHQO-SFHVURJKSA-N 1 0 359.514 4.921 40 0 FJABRO C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215727 570532916 /nfs/dbraw/zinc/53/29/16/570532916.db2.gz OCCFIILAKZILJW-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044933552 570539124 /nfs/dbraw/zinc/53/91/24/570539124.db2.gz GDTNVMDIOZZKDY-RBUKOAKNSA-N 1 0 350.506 4.718 40 0 FJABRO Cc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n2)cc1 ZINC000072369988 570546682 /nfs/dbraw/zinc/54/66/82/570546682.db2.gz LUGNKUKZEGHLOB-FQEVSTJZSA-N 1 0 370.456 4.583 40 0 FJABRO Cc1cccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000408612288 570581334 /nfs/dbraw/zinc/58/13/34/570581334.db2.gz VGJAGPNAIGHSGH-UHFFFAOYSA-N 1 0 362.517 4.513 40 0 FJABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260449347 570626988 /nfs/dbraw/zinc/62/69/88/570626988.db2.gz ARADLAYSKOKUOL-VQTJNVASSA-N 1 0 364.533 4.670 40 0 FJABRO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000601023267 570642155 /nfs/dbraw/zinc/64/21/55/570642155.db2.gz OZDOSQNUJIXEOR-UHFFFAOYSA-N 1 0 368.496 4.522 40 0 in-vitro FJABRO CC(C)(CN(Cc1ccccc1)C(=O)c1cccs1)C[NH+]1CCCCC1 ZINC000004167727 570665514 /nfs/dbraw/zinc/66/55/14/570665514.db2.gz HIXFUTJNABOPRZ-UHFFFAOYSA-N 1 0 370.562 4.903 40 0 FJABRO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000012088736 570717617 /nfs/dbraw/zinc/71/76/17/570717617.db2.gz UMOVYRDIQLCRLE-FQEVSTJZSA-N 1 0 351.425 4.993 40 0 FJABRO COc1ccc(C2([NH2+]Cc3ccc(-n4ccnc4C)cc3)CCCC2)cc1 ZINC000012143849 570722083 /nfs/dbraw/zinc/72/20/83/570722083.db2.gz ILHXMNBYODMHOT-UHFFFAOYSA-N 1 0 361.489 4.748 40 0 FJABRO COc1ccccc1C1([NH2+]Cc2c[nH]nc2-c2cccs2)CCCC1 ZINC000012147583 570723197 /nfs/dbraw/zinc/72/31/97/570723197.db2.gz IWIXYRXFXWGTGK-UHFFFAOYSA-N 1 0 353.491 4.706 40 0 FJABRO CC1(C)[C@@H](c2ccccc2)[N+](=O)C(c2ccccc2)=C(c2ccccc2)N1O ZINC000013764162 570789890 /nfs/dbraw/zinc/78/98/90/570789890.db2.gz SYFPJEMOIBKXSD-HSZRJFAPSA-N 1 0 370.452 4.519 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000009062600 570797239 /nfs/dbraw/zinc/79/72/39/570797239.db2.gz HOCWFSORXUFROV-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009063271 570797303 /nfs/dbraw/zinc/79/73/03/570797303.db2.gz OTGIHBUSPIXXQI-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856339 570867872 /nfs/dbraw/zinc/86/78/72/570867872.db2.gz VGIYDNIGQNEADS-NQIIRXRSSA-N 1 0 368.496 4.532 40 0 FJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2-n2cccn2)nc1 ZINC000019215585 570881910 /nfs/dbraw/zinc/88/19/10/570881910.db2.gz ZYUOIGFZJSZKKK-NRFANRHFSA-N 1 0 374.513 4.711 40 0 FJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2-n2cccn2)nc1 ZINC000019215582 570881922 /nfs/dbraw/zinc/88/19/22/570881922.db2.gz ZYUOIGFZJSZKKK-OAQYLSRUSA-N 1 0 374.513 4.711 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3CCCc3ccccc3)o2)s1 ZINC000019217709 570882428 /nfs/dbraw/zinc/88/24/28/570882428.db2.gz AMAPZFAFVWSQFY-QGZVFWFLSA-N 1 0 353.491 4.876 40 0 FJABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]CCc3ccncc3)c2)cc1 ZINC000019374005 570888183 /nfs/dbraw/zinc/88/81/83/570888183.db2.gz YLYMZQDMJAKASF-UHFFFAOYSA-N 1 0 366.468 4.538 40 0 FJABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000019498368 570890265 /nfs/dbraw/zinc/89/02/65/570890265.db2.gz ZBUWOMBQAVWIHY-MRXNPFEDSA-N 1 0 350.487 4.841 40 0 FJABRO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039761112 571022941 /nfs/dbraw/zinc/02/29/41/571022941.db2.gz JEQCKYWIFBUMPO-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039761236 571023054 /nfs/dbraw/zinc/02/30/54/571023054.db2.gz XVGBJBAAZNNAKZ-GOSISDBHSA-N 1 0 368.496 4.532 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000039767805 571023629 /nfs/dbraw/zinc/02/36/29/571023629.db2.gz UXVVJUMPYTVKNK-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039768436 571023931 /nfs/dbraw/zinc/02/39/31/571023931.db2.gz ZVWMWGCPFQGYBV-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039744797 571024561 /nfs/dbraw/zinc/02/45/61/571024561.db2.gz PNUCGLBYCALLGM-UHFFFAOYSA-N 1 0 362.945 4.781 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000030941302 571052675 /nfs/dbraw/zinc/05/26/75/571052675.db2.gz ASYBKYYSCSXMRK-UHFFFAOYSA-N 1 0 366.549 4.617 40 0 FJABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000030940430 571052875 /nfs/dbraw/zinc/05/28/75/571052875.db2.gz SJSLDYUOWDCWQE-SFHVURJKSA-N 1 0 366.505 4.958 40 0 FJABRO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030945384 571053343 /nfs/dbraw/zinc/05/33/43/571053343.db2.gz SSAYPDYFGVYSCS-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904870 571079171 /nfs/dbraw/zinc/07/91/71/571079171.db2.gz JVQGAUAYLOTANY-IBGZPJMESA-N 1 0 370.924 4.832 40 0 FJABRO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904853 571079177 /nfs/dbraw/zinc/07/91/77/571079177.db2.gz JVQGAUAYLOTANY-LJQANCHMSA-N 1 0 370.924 4.832 40 0 FJABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849436 571087823 /nfs/dbraw/zinc/08/78/23/571087823.db2.gz OVBCZZJQHRBBIW-QGZVFWFLSA-N 1 0 372.896 4.508 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000044856349 571103165 /nfs/dbraw/zinc/10/31/65/571103165.db2.gz GGONBHICEPJMJY-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO c1nc(Nc2cccc(C[C@@H]3CCC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000585263069 571125475 /nfs/dbraw/zinc/12/54/75/571125475.db2.gz IJPJEGIQTOPFQR-MRXNPFEDSA-N 1 0 364.518 4.881 40 0 FJABRO C[C@@H]1CC2=C(C[C@@H]1[C@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000245237929 571137019 /nfs/dbraw/zinc/13/70/19/571137019.db2.gz KCELIKSTAFGHFD-WTANOLMUSA-N 1 0 363.509 4.637 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000257243627 571153589 /nfs/dbraw/zinc/15/35/89/571153589.db2.gz IHVRJUKRJLKTDQ-KRWDZBQOSA-N 1 0 367.468 4.779 40 0 FJABRO CCOc1cccc2c1O[C@](C)(CCCC(C)C)[C@H]1CC3(C[NH2+]C3)CO[C@H]21 ZINC000257251055 571154531 /nfs/dbraw/zinc/15/45/31/571154531.db2.gz JPFMKNJVISOKRR-CZTZKLFOSA-N 1 0 373.537 4.730 40 0 FJABRO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257252412 571154560 /nfs/dbraw/zinc/15/45/60/571154560.db2.gz JURWBQMIZAOBOE-QHCPKHFHSA-N 1 0 361.464 4.934 40 0 FJABRO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)cc1 ZINC000257271736 571156714 /nfs/dbraw/zinc/15/67/14/571156714.db2.gz MZPKNPVQEUBCCH-QHCPKHFHSA-N 1 0 361.464 4.934 40 0 FJABRO CCC(=O)N(c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000032164821 571167963 /nfs/dbraw/zinc/16/79/63/571167963.db2.gz CUGMWAHBYRKBKL-UHFFFAOYSA-N 1 0 370.924 4.790 40 0 in-vitro FJABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348813 571180274 /nfs/dbraw/zinc/18/02/74/571180274.db2.gz DAAOXGYLNRULDR-QFIPXVFZSA-N 1 0 357.501 4.755 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072356005 571182247 /nfs/dbraw/zinc/18/22/47/571182247.db2.gz PBLJGXIWDFJSSZ-HSZRJFAPSA-N 1 0 357.501 4.755 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072356022 571182271 /nfs/dbraw/zinc/18/22/71/571182271.db2.gz JIPHPLDEYRSMGI-QFIPXVFZSA-N 1 0 357.501 4.755 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358385 571183534 /nfs/dbraw/zinc/18/35/34/571183534.db2.gz PULPOUZZLQBRGM-SFHVURJKSA-N 1 0 365.427 4.801 40 0 FJABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358515 571183645 /nfs/dbraw/zinc/18/36/45/571183645.db2.gz SYDDHUZZHKNJNO-OAQYLSRUSA-N 1 0 373.500 4.574 40 0 FJABRO Cc1cnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072359926 571184143 /nfs/dbraw/zinc/18/41/43/571184143.db2.gz DTWPXMSYYIBMRD-SFHVURJKSA-N 1 0 365.506 4.631 40 0 FJABRO Clc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359405 571184153 /nfs/dbraw/zinc/18/41/53/571184153.db2.gz OTPHLUHBQKVFDB-GOSISDBHSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072370041 571184986 /nfs/dbraw/zinc/18/49/86/571184986.db2.gz LPBUZELZPOMTRU-QFIPXVFZSA-N 1 0 364.468 4.657 40 0 FJABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000072369942 571185131 /nfs/dbraw/zinc/18/51/31/571185131.db2.gz OTGWGOKLQZVOLD-INIZCTEOSA-N 1 0 353.853 4.688 40 0 FJABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072375103 571185375 /nfs/dbraw/zinc/18/53/75/571185375.db2.gz OZFFTBSOIXIZSJ-FQEVSTJZSA-N 1 0 359.477 4.569 40 0 FJABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375271 571185628 /nfs/dbraw/zinc/18/56/28/571185628.db2.gz HZMFECFILUAHKF-GOSISDBHSA-N 1 0 350.491 4.927 40 0 FJABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379112 571187793 /nfs/dbraw/zinc/18/77/93/571187793.db2.gz GTESYNOVIUNUHX-NRFANRHFSA-N 1 0 374.532 4.642 40 0 FJABRO CCc1ccc2[nH]c(=O)c(CNc3ccc([NH+](CC)CC)cc3C)cc2c1 ZINC000072396068 571190726 /nfs/dbraw/zinc/19/07/26/571190726.db2.gz HBNXTCADORYGPJ-UHFFFAOYSA-N 1 0 363.505 4.857 40 0 FJABRO Cc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000013992659 571191613 /nfs/dbraw/zinc/19/16/13/571191613.db2.gz BKXJEHXYMHVQRJ-UHFFFAOYSA-N 1 0 357.567 4.763 40 0 FJABRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284910 571206181 /nfs/dbraw/zinc/20/61/81/571206181.db2.gz MOBWRRIAIHYXLB-MRXNPFEDSA-N 1 0 352.522 4.991 40 0 in-vitro FJABRO O=C1CC[C@]2(CCC[N@H+](CCc3ccccc3)CC2)N1CC1CCCCC1 ZINC000585099954 571221799 /nfs/dbraw/zinc/22/17/99/571221799.db2.gz AUQYKOLSJRJCGD-DEOSSOPVSA-N 1 0 368.565 4.657 40 0 FJABRO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100751 571221946 /nfs/dbraw/zinc/22/19/46/571221946.db2.gz VKVQCNFEORKMQL-QHCPKHFHSA-N 1 0 372.528 4.753 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c1 ZINC000009062998 571302352 /nfs/dbraw/zinc/30/23/52/571302352.db2.gz DDHADVDCKZZYDI-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063505 571302541 /nfs/dbraw/zinc/30/25/41/571302541.db2.gz ALZQWIKVEYOLFL-UHFFFAOYSA-N 1 0 368.496 4.801 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)[nH+]1 ZINC000257318307 223064566 /nfs/dbraw/zinc/06/45/66/223064566.db2.gz VNIHXRHCTIWAON-MRXNPFEDSA-N 1 0 355.457 4.635 40 0 FJABRO C[NH+]1CCC(c2ccccc2)(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001584522 204014230 /nfs/dbraw/zinc/01/42/30/204014230.db2.gz LRLNVPXQNIADKK-UHFFFAOYSA-N 1 0 357.497 4.586 40 0 FJABRO C[NH+](C)CCOc1c(Br)cc(Cl)cc1Cc1ccccc1 ZINC000001734052 204018314 /nfs/dbraw/zinc/01/83/14/204018314.db2.gz ZAVZJICXWVJTPR-UHFFFAOYSA-N 1 0 368.702 4.634 40 0 FJABRO COc1ccc2c(c1)c(C(=O)C[N@@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)c(C)n2C ZINC000002094864 204026544 /nfs/dbraw/zinc/02/65/44/204026544.db2.gz NPEAVBVVTBDHLM-WAIKUNEKSA-N 1 0 368.521 4.579 40 0 FJABRO CC1=C[C@@H](C)[C@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000004670476 204153393 /nfs/dbraw/zinc/15/33/93/204153393.db2.gz BTSDULYOJUKWAH-DYXWJJEUSA-N 1 0 357.542 4.711 40 0 FJABRO COc1ccc(/C=C\c2cccc(/C=C\c3ccc(OC)cc3)[n+]2C)cc1 ZINC000004777733 204162866 /nfs/dbraw/zinc/16/28/66/204162866.db2.gz SSGQWECMUVPJNV-PVRNWPCDSA-N 1 0 358.461 4.869 40 0 FJABRO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882326 204171894 /nfs/dbraw/zinc/17/18/94/204171894.db2.gz VKXBMWVFISZRJZ-SEJPIABJSA-N 1 0 367.468 4.533 40 0 FJABRO O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004883411 204172205 /nfs/dbraw/zinc/17/22/05/204172205.db2.gz GKZBGZIXKACSPX-AYHJJNSGSA-N 1 0 373.884 4.640 40 0 FJABRO CO[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896288 204173158 /nfs/dbraw/zinc/17/31/58/204173158.db2.gz IENZOKQPSSBWKD-DNQXCXABSA-N 1 0 359.469 4.760 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000035292358 204231083 /nfs/dbraw/zinc/23/10/83/204231083.db2.gz XOFSOZZLVGGLOF-JLYLLQBASA-N 1 0 361.917 4.790 40 0 FJABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccsc4)C3)nc2c1 ZINC000035446711 204283083 /nfs/dbraw/zinc/28/30/83/204283083.db2.gz NOWYCCTVZNGESK-LBPRGKRZSA-N 1 0 351.397 4.633 40 0 biogenic,in-vitro FJABRO Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000012603413 220012753 /nfs/dbraw/zinc/01/27/53/220012753.db2.gz CQLALPVEFAQBGB-TZIWHRDSSA-N 1 0 361.464 4.830 40 0 biogenic,in-vitro FJABRO CC1(C)CC(N(Cc2ccc(F)cc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740459 205021704 /nfs/dbraw/zinc/02/17/04/205021704.db2.gz GNETVZIHLHBDMS-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833333 205042729 /nfs/dbraw/zinc/04/27/29/205042729.db2.gz ZWJRRABWTCJSDX-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834069 205043553 /nfs/dbraw/zinc/04/35/53/205043553.db2.gz QLJFMYSSRIUWDN-LJQANCHMSA-N 1 0 362.448 4.830 40 0 FJABRO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833527 205043700 /nfs/dbraw/zinc/04/37/00/205043700.db2.gz GTQNAWOBWQJBDB-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CSc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786558 205109904 /nfs/dbraw/zinc/10/99/04/205109904.db2.gz XZVRZFRGAUHVRH-INIZCTEOSA-N 1 0 374.937 4.913 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856337 205113025 /nfs/dbraw/zinc/11/30/25/205113025.db2.gz VGIYDNIGQNEADS-WIYYLYMNSA-N 1 0 368.496 4.532 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044856400 205113066 /nfs/dbraw/zinc/11/30/66/205113066.db2.gz ZSYNBAJOVKWESP-IBGZPJMESA-N 1 0 350.506 4.780 40 0 FJABRO CCOc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911200 205115476 /nfs/dbraw/zinc/11/54/76/205115476.db2.gz OJLGYLLGVRDTBV-KRWDZBQOSA-N 1 0 372.896 4.589 40 0 FJABRO O=C(NCCC[NH+]1CCCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000013673887 220083355 /nfs/dbraw/zinc/08/33/55/220083355.db2.gz MSWLYBFRCVEKOE-BSYVCWPDSA-N 1 0 362.517 4.610 40 0 FJABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccnc2ccccc12 ZINC000043277843 205103121 /nfs/dbraw/zinc/10/31/21/205103121.db2.gz ZPNUMYXLTAHJNC-UHFFFAOYSA-N 1 0 374.463 4.663 40 0 FJABRO C[NH+](C)CCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000243385335 206120178 /nfs/dbraw/zinc/12/01/78/206120178.db2.gz MJARYVUDWOPSNZ-UHFFFAOYSA-N 1 0 367.884 4.514 40 0 FJABRO O=C(CCc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000021410749 211312788 /nfs/dbraw/zinc/31/27/88/211312788.db2.gz RCTMZMKUSHFUKZ-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1 ZINC000019454156 211224412 /nfs/dbraw/zinc/22/44/12/211224412.db2.gz VXFLEUOBDVRCOX-MLNNCEHLSA-N 1 0 365.521 4.671 40 0 FJABRO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000019401752 211221513 /nfs/dbraw/zinc/22/15/13/211221513.db2.gz PYVAGUSBPVQRTI-HXUWFJFHSA-N 1 0 351.425 4.993 40 0 FJABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000019498372 211225520 /nfs/dbraw/zinc/22/55/20/211225520.db2.gz XEOWFFRWHQLOPF-MRXNPFEDSA-N 1 0 350.487 4.841 40 0 FJABRO c1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]CCc3ccccn3)c2)cc1 ZINC000019374004 211219716 /nfs/dbraw/zinc/21/97/16/211219716.db2.gz JZTZIMZEHXEZSY-UHFFFAOYSA-N 1 0 366.468 4.538 40 0 FJABRO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000019213977 211206723 /nfs/dbraw/zinc/20/67/23/211206723.db2.gz AQTQGYKRWNJDIH-IBGZPJMESA-N 1 0 350.466 4.717 40 0 FJABRO C[C@@H]([NH2+]CC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 ZINC000001844844 210373474 /nfs/dbraw/zinc/37/34/74/210373474.db2.gz JQSHEDRVRBSFCZ-FOIQADDNSA-N 1 0 355.528 4.953 40 0 in-man FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@H](C)Cc2cccs2)CC1 ZINC000001850108 210373061 /nfs/dbraw/zinc/37/30/61/210373061.db2.gz YPOXDUYRRSUFFG-QGZVFWFLSA-N 1 0 356.535 4.587 40 0 in-man FJABRO CC[NH+](CC)CCCCCCNc1cc(OC)c(OC)c2c(C)ccnc12 ZINC000001568082 210359692 /nfs/dbraw/zinc/35/96/92/210359692.db2.gz PUUDDXNBQOVAMX-UHFFFAOYSA-N 1 0 373.541 4.875 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cc5ccccc5o4)C3)o2)cc1 ZINC000049169970 221020520 /nfs/dbraw/zinc/02/05/20/221020520.db2.gz OBRNVCUMXUJBGR-SFHVURJKSA-N 1 0 359.429 4.781 40 0 biogenic,in-vitro FJABRO COc1ccc(C[NH+]2CCC3(C[C@H](OC)c4cc(C)ccc43)CC2)cc1 ZINC000096100197 222022400 /nfs/dbraw/zinc/02/24/00/222022400.db2.gz UFNPBAABHDNWKN-QFIPXVFZSA-N 1 0 351.490 4.629 40 0 FJABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1cccs1 ZINC000022076381 263384903 /nfs/dbraw/zinc/38/49/03/263384903.db2.gz RGJFJFSGPPKMMT-UHFFFAOYSA-N 1 0 371.477 4.807 40 0 FJABRO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039742664 263399111 /nfs/dbraw/zinc/39/91/11/263399111.db2.gz IROFOGJFIGSVLM-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039747426 263399190 /nfs/dbraw/zinc/39/91/90/263399190.db2.gz GFUNVFKEXKZEJO-UHFFFAOYSA-N 1 0 350.506 4.662 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039751593 263399261 /nfs/dbraw/zinc/39/92/61/263399261.db2.gz AHVONLFDQJVLDO-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO Cc1cccc(C(C)C)c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039750660 263399468 /nfs/dbraw/zinc/39/94/68/263399468.db2.gz GNQHJMOOIQKERZ-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000020488133 522532021 /nfs/dbraw/zinc/53/20/21/522532021.db2.gz CBVRTABNIJJWRO-QFIPXVFZSA-N 1 0 350.506 4.800 40 0 FJABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020106592 522867419 /nfs/dbraw/zinc/86/74/19/522867419.db2.gz PKRRHVZJJPRQDI-NRFANRHFSA-N 1 0 368.521 4.941 40 0 FJABRO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020110667 523058276 /nfs/dbraw/zinc/05/82/76/523058276.db2.gz LIGCZWBJGVKQTD-HXUWFJFHSA-N 1 0 354.494 4.633 40 0 FJABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCC2)[nH+]1 ZINC000329024572 523798284 /nfs/dbraw/zinc/79/82/84/523798284.db2.gz PBBMKBJUVTVOQI-UHFFFAOYSA-N 1 0 350.510 4.735 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 ZINC000020454216 524232880 /nfs/dbraw/zinc/23/28/80/524232880.db2.gz OOVIWOAMJYNTMF-MRXNPFEDSA-N 1 0 356.897 4.502 40 0 FJABRO CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257311508 526428761 /nfs/dbraw/zinc/42/87/61/526428761.db2.gz UJUZQOXUERKFEN-MRXSCTINSA-N 1 0 370.537 4.528 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944117 568580643 /nfs/dbraw/zinc/58/06/43/568580643.db2.gz GGOHMFYZSCPUBS-SFHVURJKSA-N 1 0 362.517 4.652 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260835 570480514 /nfs/dbraw/zinc/48/05/14/570480514.db2.gz KUQMHAPVVFSMBA-HXUWFJFHSA-N 1 0 373.460 4.567 40 0 FJABRO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260839 570480548 /nfs/dbraw/zinc/48/05/48/570480548.db2.gz UYRGELBLLGOWRY-OAQYLSRUSA-N 1 0 373.460 4.567 40 0 FJABRO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260838 570480559 /nfs/dbraw/zinc/48/05/59/570480559.db2.gz UYRGELBLLGOWRY-NRFANRHFSA-N 1 0 373.460 4.567 40 0 FJABRO Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000001198895 570491582 /nfs/dbraw/zinc/49/15/82/570491582.db2.gz KVPMZTMVCZWXSC-XZOQPEGZSA-N 1 0 374.528 4.739 40 0 FJABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](C2CCCC2)CC1 ZINC000585281690 570491745 /nfs/dbraw/zinc/49/17/45/570491745.db2.gz PDSHDCDBPSQWDJ-SFHVURJKSA-N 1 0 358.309 4.532 40 0 FJABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](C2CCCCC2)CC1 ZINC000585282118 570492627 /nfs/dbraw/zinc/49/26/27/570492627.db2.gz XYCXQULBTLTYPH-IBGZPJMESA-N 1 0 372.336 4.922 40 0 FJABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](C2CCCC2)CC1 ZINC000585281146 570492643 /nfs/dbraw/zinc/49/26/43/570492643.db2.gz FKQCDCRPKXLVIL-UHFFFAOYSA-N 1 0 358.309 4.796 40 0 FJABRO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214367 570530017 /nfs/dbraw/zinc/53/00/17/570530017.db2.gz SGRBOVHLIJWLDU-SFHVURJKSA-N 1 0 353.466 4.766 40 0 FJABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215503 570531517 /nfs/dbraw/zinc/53/15/17/570531517.db2.gz VZSSDYRAXVOMDY-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000072215754 570533005 /nfs/dbraw/zinc/53/30/05/570533005.db2.gz LYMPPUKKRPNPKA-SFHVURJKSA-N 1 0 359.514 4.970 40 0 FJABRO O=C(c1cccc2ccccc21)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408609867 570582385 /nfs/dbraw/zinc/58/23/85/570582385.db2.gz PFEMAEAEHPLAJH-QFIPXVFZSA-N 1 0 370.496 4.503 40 0 FJABRO O[C@@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000004934861 570613939 /nfs/dbraw/zinc/61/39/39/570613939.db2.gz JOTQVNUKFKKTQB-YDHSSHFGSA-N 1 0 353.481 4.574 40 0 FJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)C2CCCCC2)C3)cc1 ZINC000035290319 570636201 /nfs/dbraw/zinc/63/62/01/570636201.db2.gz KCBCXSLTVXTFQT-FRIKZZABSA-N 1 0 354.538 4.577 40 0 FJABRO Clc1ccc(-c2csc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000035312433 570641696 /nfs/dbraw/zinc/64/16/96/570641696.db2.gz SEVNCJBPACMWFA-UHFFFAOYSA-N 1 0 369.921 4.786 40 0 FJABRO CCOc1ccc2ccccc2c1[C@H](Cc1ccc(Cl)cc1)[NH2+]CCO ZINC000006411353 570647004 /nfs/dbraw/zinc/64/70/04/570647004.db2.gz PCQNNQHKFJDEHM-FQEVSTJZSA-N 1 0 369.892 4.758 40 0 FJABRO COc1ccc(CC[N@H+](C)[C@H](C)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000006491575 570647884 /nfs/dbraw/zinc/64/78/84/570647884.db2.gz OYYPFWBWRHXFKJ-BTZTZORMSA-N 1 0 357.538 4.639 40 0 FJABRO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000012088737 570717573 /nfs/dbraw/zinc/71/75/73/570717573.db2.gz UMOVYRDIQLCRLE-HXUWFJFHSA-N 1 0 351.425 4.993 40 0 FJABRO FC(F)c1cc([C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129277 570720876 /nfs/dbraw/zinc/72/08/76/570720876.db2.gz XNKPWROMEGXRLI-BPQIPLTHSA-N 1 0 357.448 4.887 40 0 FJABRO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1 ZINC000012366534 570739213 /nfs/dbraw/zinc/73/92/13/570739213.db2.gz PDDDPJZGBHNZMZ-LAUBAEHRSA-N 1 0 350.462 4.646 40 0 FJABRO c1cnc(OC2CCCCC2)c(-c2noc(C[NH+]3CCCCCCC3)n2)c1 ZINC000012365430 570739274 /nfs/dbraw/zinc/73/92/74/570739274.db2.gz XTVHCWJHMWGGMY-UHFFFAOYSA-N 1 0 370.497 4.609 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000006949612 570786003 /nfs/dbraw/zinc/78/60/03/570786003.db2.gz SRFYOVDXKDTFDP-UHFFFAOYSA-N 1 0 368.521 4.843 40 0 FJABRO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063272 570797089 /nfs/dbraw/zinc/79/70/89/570797089.db2.gz DDBKNZCJTKLYGH-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063162 570797352 /nfs/dbraw/zinc/79/73/52/570797352.db2.gz MHXRKHRUPMVTAL-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063379 570797544 /nfs/dbraw/zinc/79/75/44/570797544.db2.gz RIBZSJCZWWNLCP-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000009062906 570802766 /nfs/dbraw/zinc/80/27/66/570802766.db2.gz MLPMNTRPGWVMPB-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC ZINC000019215479 570882001 /nfs/dbraw/zinc/88/20/01/570882001.db2.gz FAUGEYXLLXCORY-LJQANCHMSA-N 1 0 368.502 4.542 40 0 FJABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2cn(C(C)C)c3cc(F)ccc23)n1 ZINC000019717656 570900222 /nfs/dbraw/zinc/90/02/22/570900222.db2.gz FFSKCCIEVUEGEL-UHFFFAOYSA-N 1 0 356.489 4.697 40 0 FJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534305 570992374 /nfs/dbraw/zinc/99/23/74/570992374.db2.gz JBWXHLBCPRQVTO-QGZVFWFLSA-N 1 0 364.961 4.885 40 0 FJABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532258 570992399 /nfs/dbraw/zinc/99/23/99/570992399.db2.gz NVOAVYAHGJJCOI-UHFFFAOYSA-N 1 0 364.961 4.883 40 0 FJABRO O=C(CCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224702886 570997881 /nfs/dbraw/zinc/99/78/81/570997881.db2.gz FVAXPUCJTFKSQZ-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039761121 571022993 /nfs/dbraw/zinc/02/29/93/571022993.db2.gz QTFRZYAGFBZGHZ-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762700 571023536 /nfs/dbraw/zinc/02/35/36/571023536.db2.gz CLHSOBQSYSNVKS-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039772184 571024042 /nfs/dbraw/zinc/02/40/42/571024042.db2.gz LDKXAGSRPLRGBQ-UHFFFAOYSA-N 1 0 354.469 4.800 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000039768702 571024073 /nfs/dbraw/zinc/02/40/73/571024073.db2.gz KYXRJSSSOPLWSV-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039756059 571025065 /nfs/dbraw/zinc/02/50/65/571025065.db2.gz BVHIGELGDKSNKJ-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039755410 571025149 /nfs/dbraw/zinc/02/51/49/571025149.db2.gz ZHWHATPCZFYMQA-UHFFFAOYSA-N 1 0 362.395 4.556 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220803 571028041 /nfs/dbraw/zinc/02/80/41/571028041.db2.gz TYUKMOPIVKYLJJ-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225582253 571047159 /nfs/dbraw/zinc/04/71/59/571047159.db2.gz NBVJPQMXUSOUAE-MRXNPFEDSA-N 1 0 373.488 4.646 40 0 FJABRO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030854694 571051181 /nfs/dbraw/zinc/05/11/81/571051181.db2.gz COBBGLFIIWYUEY-IBGZPJMESA-N 1 0 374.912 4.978 40 0 FJABRO C[N@@H+]1CCc2ccccc2[C@@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938931 571056661 /nfs/dbraw/zinc/05/66/61/571056661.db2.gz GWIOQTCSMPBYMC-DEOSSOPVSA-N 1 0 358.485 4.620 40 0 FJABRO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225902989 571078811 /nfs/dbraw/zinc/07/88/11/571078811.db2.gz YLDSAOSSRHKURE-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834316 571087247 /nfs/dbraw/zinc/08/72/47/571087247.db2.gz MXQFRNYUDRWNSR-UHFFFAOYSA-N 1 0 352.478 4.714 40 0 FJABRO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856936 571088258 /nfs/dbraw/zinc/08/82/58/571088258.db2.gz YPZRMCOTCHJECI-LJQANCHMSA-N 1 0 354.469 4.547 40 0 FJABRO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852385 571088283 /nfs/dbraw/zinc/08/82/83/571088283.db2.gz RJWKTRWFUQLKJA-IBGZPJMESA-N 1 0 360.929 4.559 40 0 FJABRO Cc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044909771 571104561 /nfs/dbraw/zinc/10/45/61/571104561.db2.gz LHDJCKWCWOVCLB-FQEVSTJZSA-N 1 0 364.533 4.590 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044933467 571104978 /nfs/dbraw/zinc/10/49/78/571104978.db2.gz OKVUXVXCOPECPD-KRWDZBQOSA-N 1 0 370.924 4.738 40 0 FJABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cn3)s2)cc1 ZINC000585262743 571125564 /nfs/dbraw/zinc/12/55/64/571125564.db2.gz BMWIDJDYSOJRGY-CQSZACIVSA-N 1 0 368.481 4.630 40 0 FJABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348805 571180228 /nfs/dbraw/zinc/18/02/28/571180228.db2.gz FSJUCEQLSRQFHG-IBGZPJMESA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccc(Cc2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)cc1 ZINC000072348944 571180686 /nfs/dbraw/zinc/18/06/86/571180686.db2.gz QIQBTPHAOZKQHQ-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379145 571187845 /nfs/dbraw/zinc/18/78/45/571187845.db2.gz XFJJRMOXXKMFIO-GOSISDBHSA-N 1 0 352.526 4.903 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(C)cc4)CC3)o2)s1 ZINC000072389938 571189232 /nfs/dbraw/zinc/18/92/32/571189232.db2.gz OPGNXEUXOJSCNM-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 ZINC000585100812 571222512 /nfs/dbraw/zinc/22/25/12/571222512.db2.gz XQAMRYKFBMSMCA-HSZRJFAPSA-N 1 0 372.528 4.753 40 0 FJABRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062840 571302416 /nfs/dbraw/zinc/30/24/16/571302416.db2.gz XDPOBTKBGAULNH-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313827 571302881 /nfs/dbraw/zinc/30/28/81/571302881.db2.gz GXFMDOQTNYRHCV-UHFFFAOYSA-N 1 0 362.395 4.944 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257232805 223031211 /nfs/dbraw/zinc/03/12/11/223031211.db2.gz GMMHHNCRBYTWGS-MRXNPFEDSA-N 1 0 355.457 4.635 40 0 FJABRO C[C@H](C[NH+]1CCCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698622 204017471 /nfs/dbraw/zinc/01/74/71/204017471.db2.gz QZUSABKVUXHRGF-GCJKJVERSA-N 1 0 357.925 4.892 40 0 FJABRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000001688501 204017569 /nfs/dbraw/zinc/01/75/69/204017569.db2.gz UQNYLRPFZWLLMC-OALUTQOASA-N 1 0 361.407 4.545 40 0 FJABRO CCCC[NH+](CCCC)CCc1ccc(OC(=O)c2ccc(N)cc2)cc1 ZINC000001688843 204017642 /nfs/dbraw/zinc/01/76/42/204017642.db2.gz AILPXFZQJSXTQI-UHFFFAOYSA-N 1 0 368.521 4.933 40 0 FJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1)c1ccccc1Cl ZINC000004887808 204173002 /nfs/dbraw/zinc/17/30/02/204173002.db2.gz VUPCTFKVXKFIJF-ZNXRZULTSA-N 1 0 360.929 4.788 40 0 FJABRO OC1(c2cccnc2)CC[NH+](CC2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000012364470 204456201 /nfs/dbraw/zinc/45/62/01/204456201.db2.gz HRWPBEWBIJTMPW-UHFFFAOYSA-N 1 0 370.924 4.530 40 0 FJABRO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833753 205042898 /nfs/dbraw/zinc/04/28/98/205042898.db2.gz ZFXVRXWNPGFHAO-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834997 205042931 /nfs/dbraw/zinc/04/29/31/205042931.db2.gz HNALCLVCBOHNMI-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848622 205043508 /nfs/dbraw/zinc/04/35/08/205043508.db2.gz IIIIFLWARFYMCF-UHFFFAOYSA-N 1 0 356.897 4.646 40 0 FJABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933991 205116461 /nfs/dbraw/zinc/11/64/61/205116461.db2.gz VMPBYCBCKDQCOV-MAUKXSAKSA-N 1 0 374.887 4.569 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044933471 205116532 /nfs/dbraw/zinc/11/65/32/205116532.db2.gz JNPGQXWQWDGEEP-KRWDZBQOSA-N 1 0 370.924 4.738 40 0 FJABRO Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccc3ccccc3n2)c1 ZINC000043277708 205102323 /nfs/dbraw/zinc/10/23/23/205102323.db2.gz LUAGGMGCHBEGMM-UHFFFAOYSA-N 1 0 374.463 4.663 40 0 FJABRO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399845 205185911 /nfs/dbraw/zinc/18/59/11/205185911.db2.gz JYEGWJUZFYULIW-UHFFFAOYSA-N 1 0 368.546 4.713 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)o2)s1 ZINC000072390106 205525487 /nfs/dbraw/zinc/52/54/87/205525487.db2.gz RSVCXYAUFGBOIP-HNNXBMFYSA-N 1 0 357.454 4.625 40 0 FJABRO O=C(Nc1ccccc1F)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882294 206183491 /nfs/dbraw/zinc/18/34/91/206183491.db2.gz JDQDTPJLOGSWSI-YQQQUEKLSA-N 1 0 367.468 4.533 40 0 FJABRO Cc1cccc2cc(C[NH2+]CCc3ccc(-c4ccccc4)cc3)c(=O)[nH]c12 ZINC000013999710 206308334 /nfs/dbraw/zinc/30/83/34/206308334.db2.gz GCYNBSZRPUUFNS-UHFFFAOYSA-N 1 0 368.480 4.836 40 0 FJABRO Cc1ccsc1CN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019238597 211210589 /nfs/dbraw/zinc/21/05/89/211210589.db2.gz IKJCCVIIPAJULZ-UHFFFAOYSA-N 1 0 357.567 4.763 40 0 FJABRO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1-n1cccn1 ZINC000019237650 211208213 /nfs/dbraw/zinc/20/82/13/211208213.db2.gz CIRVADQAFPPWKM-HXUWFJFHSA-N 1 0 374.513 4.711 40 0 FJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)nc1 ZINC000019215517 211206258 /nfs/dbraw/zinc/20/62/58/211206258.db2.gz HROFPFRIHGCVTD-IIBYNOLFSA-N 1 0 364.514 4.849 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)o2)s1 ZINC000019217706 211205488 /nfs/dbraw/zinc/20/54/88/211205488.db2.gz AMAPZFAFVWSQFY-KRWDZBQOSA-N 1 0 353.491 4.876 40 0 FJABRO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)c1ccc(Br)cc1 ZINC000002037104 210376338 /nfs/dbraw/zinc/37/63/38/210376338.db2.gz GKZBLFPYBFCLKC-GOSISDBHSA-N 1 0 356.348 4.877 40 0 FJABRO O[C@@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc21)[C@H]1CCCC[NH2+]1 ZINC000001683266 210366201 /nfs/dbraw/zinc/36/62/01/210366201.db2.gz YVTAGCVIOXWKOW-CTNGQTDRSA-N 1 0 352.865 4.731 40 0 FJABRO C[C@H](CC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000001648496 210364721 /nfs/dbraw/zinc/36/47/21/210364721.db2.gz XBOQPGNZBJLXJS-HXUWFJFHSA-N 1 0 372.512 4.952 40 0 FJABRO CC(C)COc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000000819790 210276306 /nfs/dbraw/zinc/27/63/06/210276306.db2.gz TVPOHZDOAWMQLL-GHTZIAJQSA-N 1 0 359.510 4.533 40 0 biogenic,in-vitro FJABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328969925 132372168 /nfs/dbraw/zinc/37/21/68/132372168.db2.gz DGFSCQUXMZKEHX-UHFFFAOYSA-N 1 0 370.928 4.593 40 0 FJABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCC2)[nH+]1 ZINC000329068782 132373349 /nfs/dbraw/zinc/37/33/49/132373349.db2.gz YSSIBCMHYMVGDE-UHFFFAOYSA-N 1 0 364.537 4.674 40 0 FJABRO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073047748 136149903 /nfs/dbraw/zinc/14/99/03/136149903.db2.gz FBAYMIDLYCGXLX-UHFFFAOYSA-N 1 0 363.505 4.525 40 0 FJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1 ZINC000022076226 263384837 /nfs/dbraw/zinc/38/48/37/263384837.db2.gz NTVZLDCMNPVEJS-UHFFFAOYSA-N 1 0 367.420 4.595 40 0 FJABRO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000216388305 522882321 /nfs/dbraw/zinc/88/23/21/522882321.db2.gz SBZPGHYRIPMXAK-NRFANRHFSA-N 1 0 354.494 4.633 40 0 FJABRO c1ccc(C(OCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)cc1 ZINC000090751736 526460850 /nfs/dbraw/zinc/46/08/50/526460850.db2.gz HOSRAJVFYIYMHX-UHFFFAOYSA-N 1 0 372.512 4.615 40 0 FJABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000222613903 568545519 /nfs/dbraw/zinc/54/55/19/568545519.db2.gz JVYGXPPIDOXBOC-LJQANCHMSA-N 1 0 364.533 4.972 40 0 FJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000222944053 568580602 /nfs/dbraw/zinc/58/06/02/568580602.db2.gz GGOHMFYZSCPUBS-GOSISDBHSA-N 1 0 362.517 4.652 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193604 568624199 /nfs/dbraw/zinc/62/41/99/568624199.db2.gz FXRDKNFKVBBZGH-SFHVURJKSA-N 1 0 362.517 4.652 40 0 FJABRO c1csc(C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)n1 ZINC000096100173 570475804 /nfs/dbraw/zinc/47/58/04/570475804.db2.gz SWUKUJRCUWVBDH-UHFFFAOYSA-N 1 0 361.514 4.685 40 0 FJABRO Cc1ccccc1C[N@@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096214633 570479504 /nfs/dbraw/zinc/47/95/04/570479504.db2.gz XACGGAMDZYBJDK-HSZRJFAPSA-N 1 0 363.505 4.658 40 0 FJABRO CC[NH+](CC)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000150133113 570516072 /nfs/dbraw/zinc/51/60/72/570516072.db2.gz AXACJBKFKCCIOR-IAGOWNOFSA-N 1 0 357.325 4.718 40 0 in-vitro FJABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215343 570531087 /nfs/dbraw/zinc/53/10/87/570531087.db2.gz HHUANXNQLOALAU-SFHVURJKSA-N 1 0 359.514 4.921 40 0 FJABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215442 570531468 /nfs/dbraw/zinc/53/14/68/570531468.db2.gz CGHHPTGHTAFXPX-SFHVURJKSA-N 1 0 359.514 4.921 40 0 FJABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215553 570532100 /nfs/dbraw/zinc/53/21/00/570532100.db2.gz AFVWEOWOMMLZSH-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215848 570532881 /nfs/dbraw/zinc/53/28/81/570532881.db2.gz PQJPSDYAWCJUQY-GOSISDBHSA-N 1 0 353.466 4.922 40 0 FJABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000072215755 570533002 /nfs/dbraw/zinc/53/30/02/570533002.db2.gz LYMPPUKKRPNPKA-GOSISDBHSA-N 1 0 359.514 4.970 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933362 570539096 /nfs/dbraw/zinc/53/90/96/570539096.db2.gz SDFFYIOXHPJVSZ-XLIONFOSSA-N 1 0 370.924 4.738 40 0 FJABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376754 570546582 /nfs/dbraw/zinc/54/65/82/570546582.db2.gz IUVIBVBVXNWYCY-FQEVSTJZSA-N 1 0 362.452 4.592 40 0 FJABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000006581989 570649727 /nfs/dbraw/zinc/64/97/27/570649727.db2.gz KLSLQEPOLKVONQ-XWEVFREBSA-N 1 0 353.481 4.574 40 0 FJABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000012088738 570717591 /nfs/dbraw/zinc/71/75/91/570717591.db2.gz FWXMGJMKVHEDCI-NRFANRHFSA-N 1 0 363.461 4.863 40 0 FJABRO FC(F)c1cc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129272 570720669 /nfs/dbraw/zinc/72/06/69/570720669.db2.gz XNKPWROMEGXRLI-RYQLBKOJSA-N 1 0 357.448 4.887 40 0 FJABRO C=Cn1ncc(CN(Cc2cccs2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012186545 570724940 /nfs/dbraw/zinc/72/49/40/570724940.db2.gz WYEVFAPYHASOCX-UHFFFAOYSA-N 1 0 372.582 4.665 40 0 FJABRO CC(C)Oc1ccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1 ZINC000012188684 570725412 /nfs/dbraw/zinc/72/54/12/570725412.db2.gz ADDPXFXDULTSGX-UHFFFAOYSA-N 1 0 361.489 4.797 40 0 FJABRO CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000006357495 570780401 /nfs/dbraw/zinc/78/04/01/570780401.db2.gz LCSGJINTTWTWPJ-UHFFFAOYSA-N 1 0 366.505 4.597 40 0 FJABRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000006297273 570780768 /nfs/dbraw/zinc/78/07/68/570780768.db2.gz WYYKMKTZZSMHHN-UHFFFAOYSA-N 1 0 358.869 4.587 40 0 FJABRO O=C(NCC[NH+]1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717295 570786454 /nfs/dbraw/zinc/78/64/54/570786454.db2.gz VTRJZXOXOPQRBO-UHFFFAOYSA-N 1 0 367.518 4.875 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)cc1 ZINC000018132103 570875705 /nfs/dbraw/zinc/87/57/05/570875705.db2.gz MKKJWJGHWSIISJ-QFIPXVFZSA-N 1 0 366.505 4.562 40 0 FJABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000018177362 570875996 /nfs/dbraw/zinc/87/59/96/570875996.db2.gz LXAGHBMLZUZOLZ-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO C=Cn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000019216536 570882594 /nfs/dbraw/zinc/88/25/94/570882594.db2.gz AGLNBKZCYSANAW-UHFFFAOYSA-N 1 0 370.541 4.505 40 0 FJABRO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)cc1OC ZINC000019237642 570883666 /nfs/dbraw/zinc/88/36/66/570883666.db2.gz KTCJDNWKGKEWEC-GOSISDBHSA-N 1 0 368.502 4.542 40 0 FJABRO Cc1csc2c(C3CC[NH+](CCCOc4ccccc4)CC3)nc(C)n12 ZINC000019240571 570884105 /nfs/dbraw/zinc/88/41/05/570884105.db2.gz LFKWXGRXFGUZBC-UHFFFAOYSA-N 1 0 369.534 4.661 40 0 FJABRO CCN(CC)C(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547392 570890142 /nfs/dbraw/zinc/89/01/42/570890142.db2.gz OEELIOJDCZGHJU-UHFFFAOYSA-N 1 0 364.533 4.623 40 0 FJABRO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019524919 570891566 /nfs/dbraw/zinc/89/15/66/570891566.db2.gz WYWAADLCRUJQMY-FQEVSTJZSA-N 1 0 368.456 4.814 40 0 FJABRO COc1ccc(-c2ccc(C[N@H+](C)CCCn3nc(C)cc3C)cc2)cc1 ZINC000019719956 570900854 /nfs/dbraw/zinc/90/08/54/570900854.db2.gz WHZDNNMWJGRTHK-UHFFFAOYSA-N 1 0 363.505 4.698 40 0 FJABRO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020491738 570918112 /nfs/dbraw/zinc/91/81/12/570918112.db2.gz BRVPRFBTEUEKEF-UHFFFAOYSA-N 1 0 372.896 4.833 40 0 FJABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000020495904 570918673 /nfs/dbraw/zinc/91/86/73/570918673.db2.gz OYKOUZYVLROMCQ-HNNXBMFYSA-N 1 0 372.896 4.833 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022514360 570945166 /nfs/dbraw/zinc/94/51/66/570945166.db2.gz JLHDSXYAQJERPA-LJQANCHMSA-N 1 0 350.506 4.718 40 0 FJABRO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005151096 570950431 /nfs/dbraw/zinc/95/04/31/570950431.db2.gz KDSGEFWXLQJWCW-VJBMBRPKSA-N 1 0 369.480 4.703 40 0 FJABRO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094823 570976894 /nfs/dbraw/zinc/97/68/94/570976894.db2.gz GGWACVLIEOPPHN-UHFFFAOYSA-N 1 0 371.484 4.521 40 0 FJABRO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224095272 570976997 /nfs/dbraw/zinc/97/69/97/570976997.db2.gz GVFIZAVHURSWMN-UHFFFAOYSA-N 1 0 356.469 4.787 40 0 FJABRO Cc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224540095 570992810 /nfs/dbraw/zinc/99/28/10/570992810.db2.gz LUVGYDRCKCPKFW-UHFFFAOYSA-N 1 0 350.506 4.528 40 0 FJABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644549 570996152 /nfs/dbraw/zinc/99/61/52/570996152.db2.gz JWMFTLBPVGCJDP-FMIVXFBMSA-N 1 0 368.908 4.656 40 0 FJABRO CCc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039761705 571023179 /nfs/dbraw/zinc/02/31/79/571023179.db2.gz JQZLFCIAXAXVLC-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039762404 571023433 /nfs/dbraw/zinc/02/34/33/571023433.db2.gz PCKCPDULROEQGK-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000039759147 571026270 /nfs/dbraw/zinc/02/62/70/571026270.db2.gz COWGYNFUVAQXRA-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000039757617 571026305 /nfs/dbraw/zinc/02/63/05/571026305.db2.gz RTRKNUNYRUQGGD-UHFFFAOYSA-N 1 0 366.505 4.633 40 0 FJABRO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220717 571027830 /nfs/dbraw/zinc/02/78/30/571027830.db2.gz CSMOUCKAIVJUJI-SFHVURJKSA-N 1 0 356.897 4.753 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225359819 571030361 /nfs/dbraw/zinc/03/03/61/571030361.db2.gz OZYKYKBQSAWQTO-HNNXBMFYSA-N 1 0 371.352 4.697 40 0 FJABRO c1cc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134599 571039032 /nfs/dbraw/zinc/03/90/32/571039032.db2.gz NTGPSMZHEIIJES-IBGZPJMESA-N 1 0 360.486 4.795 40 0 FJABRO CCCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030938177 571052625 /nfs/dbraw/zinc/05/26/25/571052625.db2.gz NLAIVDSSMYQABA-NRFANRHFSA-N 1 0 350.506 4.880 40 0 FJABRO CSc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938036 571052811 /nfs/dbraw/zinc/05/28/11/571052811.db2.gz OJLFISNVSAMYFH-INIZCTEOSA-N 1 0 374.937 4.913 40 0 FJABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030943892 571052937 /nfs/dbraw/zinc/05/29/37/571052937.db2.gz VXVQULKHMRGQFI-FQEVSTJZSA-N 1 0 364.533 4.814 40 0 FJABRO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383800 571076304 /nfs/dbraw/zinc/07/63/04/571076304.db2.gz RHWLUUIZJHMORH-QSVDNLTKSA-N 1 0 363.586 4.623 40 0 FJABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000075279225 571084337 /nfs/dbraw/zinc/08/43/37/571084337.db2.gz QWQRGWMBWMYNRI-WWPVKYPJSA-N 1 0 373.581 4.533 40 0 FJABRO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044906419 571104570 /nfs/dbraw/zinc/10/45/70/571104570.db2.gz GLFUXHZYEQQFMT-UHFFFAOYSA-N 1 0 370.924 4.689 40 0 FJABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934017 571105328 /nfs/dbraw/zinc/10/53/28/571105328.db2.gz HCANGIHHYOOZER-CRAIPNDOSA-N 1 0 374.887 4.569 40 0 FJABRO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)n1 ZINC000257239622 571153289 /nfs/dbraw/zinc/15/32/89/571153289.db2.gz HQDNQVIWCHUUGO-FQEVSTJZSA-N 1 0 359.477 4.651 40 0 FJABRO Brc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCC3)cc1 ZINC000026441598 571162856 /nfs/dbraw/zinc/16/28/56/571162856.db2.gz NUEMZNPUMYMPEC-UHFFFAOYSA-N 1 0 354.271 4.531 40 0 FJABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348840 571180178 /nfs/dbraw/zinc/18/01/78/571180178.db2.gz JEIQMVQNDZMLRO-LJQANCHMSA-N 1 0 359.473 4.532 40 0 FJABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348850 571180283 /nfs/dbraw/zinc/18/02/83/571180283.db2.gz BOJHKYAKSKMSBT-JOCHJYFZSA-N 1 0 357.501 4.755 40 0 FJABRO Clc1cccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072350084 571181331 /nfs/dbraw/zinc/18/13/31/571181331.db2.gz IFMTZGWEDIQTIO-QGZVFWFLSA-N 1 0 356.897 4.760 40 0 FJABRO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358620 571183489 /nfs/dbraw/zinc/18/34/89/571183489.db2.gz LSJREMGATLVNRW-QGZVFWFLSA-N 1 0 364.880 4.572 40 0 FJABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072358512 571183599 /nfs/dbraw/zinc/18/35/99/571183599.db2.gz UMYJFGOBFSEWRI-HXUWFJFHSA-N 1 0 361.464 4.705 40 0 FJABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072379107 571187589 /nfs/dbraw/zinc/18/75/89/571187589.db2.gz UTWNBOXFMCFVIA-NRFANRHFSA-N 1 0 360.505 4.599 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)o2)s1 ZINC000072390105 571189533 /nfs/dbraw/zinc/18/95/33/571189533.db2.gz RSVCXYAUFGBOIP-OAHLLOKOSA-N 1 0 357.454 4.625 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390094 571189666 /nfs/dbraw/zinc/18/96/66/571189666.db2.gz JVUZSILBIQMLPX-HNNXBMFYSA-N 1 0 357.454 4.625 40 0 FJABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3c[nH]c4ccc(OC)cc43)C2)cc1 ZINC000057745003 571194998 /nfs/dbraw/zinc/19/49/98/571194998.db2.gz OPZCOVFIQXABAJ-QGZVFWFLSA-N 1 0 350.462 4.565 40 0 FJABRO Cc1cc([C@@H]2CCCCC[N@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000253479442 571291721 /nfs/dbraw/zinc/29/17/21/571291721.db2.gz QKSRVUXJRJEXMU-BEFAXECRSA-N 1 0 356.466 4.508 40 0 FJABRO [NH2+]=C1N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000253569768 571291746 /nfs/dbraw/zinc/29/17/46/571291746.db2.gz MTLLXUNOCJBIAC-QHAWAJNXSA-N 1 0 360.482 4.558 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000009063018 571302379 /nfs/dbraw/zinc/30/23/79/571302379.db2.gz XOYPQGHIEMAHBO-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000009063216 571302493 /nfs/dbraw/zinc/30/24/93/571302493.db2.gz GZNDSKVMGHUWQZ-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000009063096 571302515 /nfs/dbraw/zinc/30/25/15/571302515.db2.gz DDBNOHQEOKJDFA-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063598 571302666 /nfs/dbraw/zinc/30/26/66/571302666.db2.gz CZFXJLGYHTVGLY-UHFFFAOYSA-N 1 0 368.496 4.801 40 0 FJABRO O=C(Nc1ccccc1)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000257300065 571321746 /nfs/dbraw/zinc/32/17/46/571321746.db2.gz RSSYSCGFANWRQX-XMMPIXPASA-N 1 0 356.469 4.515 40 0 FJABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889677 571327742 /nfs/dbraw/zinc/32/77/42/571327742.db2.gz XGHRSOOIFQRQQF-PUHATCMVSA-N 1 0 374.528 4.809 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257271621 223045590 /nfs/dbraw/zinc/04/55/90/223045590.db2.gz MZBXMGCRVBFKNN-INIZCTEOSA-N 1 0 355.457 4.635 40 0 FJABRO CC(C)CNC(=[NH2+])Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001570844 204011780 /nfs/dbraw/zinc/01/17/80/204011780.db2.gz CYYRMFOTFFNLCL-UHFFFAOYSA-N 1 0 359.861 4.576 40 0 FJABRO O[C@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc21)[C@@H]1CCCC[NH2+]1 ZINC000001733787 204018376 /nfs/dbraw/zinc/01/83/76/204018376.db2.gz AJCGFJGKPNNFGK-GHTZIAJQSA-N 1 0 352.865 4.731 40 0 FJABRO C[NH+](C)Cc1ccc(Cl)cc1C(O)(c1ccccc1)c1ccccc1 ZINC000004975100 204182386 /nfs/dbraw/zinc/18/23/86/204182386.db2.gz YNSYOGUWHDIBCL-UHFFFAOYSA-N 1 0 351.877 4.686 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289453 204223663 /nfs/dbraw/zinc/22/36/63/204223663.db2.gz NGYSAXMUFKSQCK-IHWFROFDSA-N 1 0 369.896 4.657 40 0 FJABRO COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)cc3)[n+]2C)cc1 ZINC000006519945 204252493 /nfs/dbraw/zinc/25/24/93/204252493.db2.gz SSGQWECMUVPJNV-FNCQTZNRSA-N 1 0 358.461 4.869 40 0 FJABRO S=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000007402433 204296237 /nfs/dbraw/zinc/29/62/37/204296237.db2.gz OHHMMPSNGRZSIS-UHFFFAOYSA-N 1 0 373.953 4.813 40 0 FJABRO O=C(c1cc2ccccc2o1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373918 204681511 /nfs/dbraw/zinc/68/15/11/204681511.db2.gz PHTNWYCVICAZNN-TXTKFYIRSA-N 1 0 374.484 4.573 40 0 FJABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741275 205020922 /nfs/dbraw/zinc/02/09/22/205020922.db2.gz CFRADDLXFKVKJF-LJQANCHMSA-N 1 0 374.598 4.629 40 0 FJABRO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835262 205042799 /nfs/dbraw/zinc/04/27/99/205042799.db2.gz JBFLJYAULQGANJ-GOSISDBHSA-N 1 0 356.897 4.753 40 0 FJABRO CCOc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038834317 205042515 /nfs/dbraw/zinc/04/25/15/205042515.db2.gz YPECPTAEEFQRBL-KRWDZBQOSA-N 1 0 352.478 4.570 40 0 FJABRO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044933079 205114399 /nfs/dbraw/zinc/11/43/99/205114399.db2.gz JCPUNRHGILBFIT-QHCPKHFHSA-N 1 0 362.517 4.870 40 0 FJABRO CN(C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000013670554 220082752 /nfs/dbraw/zinc/08/27/52/220082752.db2.gz ZVEIGBLTAROYMR-UHFFFAOYSA-N 1 0 356.469 4.522 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000044904596 211805228 /nfs/dbraw/zinc/80/52/28/211805228.db2.gz RBTGBOOTDIDVPA-IBGZPJMESA-N 1 0 368.521 4.860 40 0 FJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl ZINC000032461947 211548710 /nfs/dbraw/zinc/54/87/10/211548710.db2.gz HIRDYTUEXQTLPK-UHFFFAOYSA-N 1 0 363.288 4.519 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000216423541 206359700 /nfs/dbraw/zinc/35/97/00/206359700.db2.gz OAXYMUWSLYKOBI-GOSISDBHSA-N 1 0 354.494 4.551 40 0 FJABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)Nc1cccc(Cl)c1 ZINC000224695421 206463127 /nfs/dbraw/zinc/46/31/27/206463127.db2.gz BTJLXGJIYSOFPP-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257304468 206621802 /nfs/dbraw/zinc/62/18/02/206621802.db2.gz SLVFDMWJBRJJMC-KSEOMHKRSA-N 1 0 373.537 4.817 40 0 FJABRO CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000022508982 211352873 /nfs/dbraw/zinc/35/28/73/211352873.db2.gz CVTHVPRWGVYUNL-NRFANRHFSA-N 1 0 368.521 4.941 40 0 FJABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C ZINC000019691981 211245422 /nfs/dbraw/zinc/24/54/22/211245422.db2.gz YSSBZLGZXASMKB-DEOSSOPVSA-N 1 0 374.532 4.843 40 0 FJABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000019496083 211223122 /nfs/dbraw/zinc/22/31/22/211223122.db2.gz VIVGZCFEEOYASN-HZPDHXFCSA-N 1 0 370.497 4.606 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000019237169 211209072 /nfs/dbraw/zinc/20/90/72/211209072.db2.gz YOAVARKJKQVYKH-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236222 211208518 /nfs/dbraw/zinc/20/85/18/211208518.db2.gz BSHKLQNUVVOLCE-CQSZACIVSA-N 1 0 372.419 4.552 40 0 FJABRO CCC(CC)[NH2+][C@H](CC)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710585 210367657 /nfs/dbraw/zinc/36/76/57/210367657.db2.gz YJVBMVWCNZRZOG-OAQYLSRUSA-N 1 0 353.506 4.919 40 0 FJABRO CC[NH+](CC)CCSCCCNc1ccnc2cc(Cl)ccc21 ZINC000001729587 210367041 /nfs/dbraw/zinc/36/70/41/210367041.db2.gz BYDNHHBNMRLXDA-UHFFFAOYSA-N 1 0 351.947 4.765 40 0 FJABRO C[C@@H](C[NH+]1CCCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698621 210366519 /nfs/dbraw/zinc/36/65/19/210366519.db2.gz QZUSABKVUXHRGF-AVRDEDQJSA-N 1 0 357.925 4.892 40 0 FJABRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000001688498 210365930 /nfs/dbraw/zinc/36/59/30/210365930.db2.gz UQNYLRPFZWLLMC-RTBURBONSA-N 1 0 361.407 4.545 40 0 FJABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000001615886 210362417 /nfs/dbraw/zinc/36/24/17/210362417.db2.gz KLSLQEPOLKVONQ-MTNXOHHFSA-N 1 0 353.481 4.574 40 0 FJABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295139 533072172 /nfs/dbraw/zinc/07/21/72/533072172.db2.gz QXDIESUTBMCXKD-OAQYLSRUSA-N 1 0 374.488 4.531 40 0 FJABRO CCc1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774227 221093163 /nfs/dbraw/zinc/09/31/63/221093163.db2.gz NFUVFUPZSMGRAP-KOUHRCEDSA-N 1 0 355.913 4.754 40 0 FJABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329006812 132372434 /nfs/dbraw/zinc/37/24/34/132372434.db2.gz LGCRMKNRLWYCTO-UHFFFAOYSA-N 1 0 356.901 4.746 40 0 FJABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750193 222251517 /nfs/dbraw/zinc/25/15/17/222251517.db2.gz PUXUBPSPQPJCSC-ZRCGQRJVSA-N 1 0 371.569 4.577 40 0 FJABRO O=C(COc1cccc2ccccc21)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017076656 263372321 /nfs/dbraw/zinc/37/23/21/263372321.db2.gz FJRZKAVEIMTAML-UHFFFAOYSA-N 1 0 374.484 4.843 40 0 FJABRO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039751509 263399202 /nfs/dbraw/zinc/39/92/02/263399202.db2.gz HPUKTRXROZQRCW-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 ZINC000020110911 524232999 /nfs/dbraw/zinc/23/29/99/524232999.db2.gz PTAQECLCLJMBHO-MRXNPFEDSA-N 1 0 356.897 4.502 40 0 FJABRO Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000227308531 526335430 /nfs/dbraw/zinc/33/54/30/526335430.db2.gz SVFQQPZSZOXLGQ-YUXAGFNASA-N 1 0 370.899 4.891 40 0 FJABRO C[N@@H+]1CCC=C(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001655585 536350017 /nfs/dbraw/zinc/35/00/17/536350017.db2.gz CIYMYVMHWSYLLO-UHFFFAOYSA-N 1 0 356.878 4.731 40 0 FJABRO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1 ZINC000216865941 568148059 /nfs/dbraw/zinc/14/80/59/568148059.db2.gz KMOFJBMDMIFSSZ-UHFFFAOYSA-N 1 0 351.494 4.727 40 0 FJABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2ccccc21 ZINC000023247758 568394151 /nfs/dbraw/zinc/39/41/51/568394151.db2.gz BMCBLHUPAOEDFM-QHCPKHFHSA-N 1 0 359.517 4.721 40 0 FJABRO O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1C[NH+]1CCCCC1 ZINC000000934619 570464012 /nfs/dbraw/zinc/46/40/12/570464012.db2.gz WDXDRAVWMFCUEO-UHFFFAOYSA-N 1 0 352.865 4.834 40 0 FJABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)s1 ZINC000096047297 570473925 /nfs/dbraw/zinc/47/39/25/570473925.db2.gz PYARSEBVFYWUEF-UHFFFAOYSA-N 1 0 374.575 4.636 40 0 FJABRO C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215788 570533024 /nfs/dbraw/zinc/53/30/24/570533024.db2.gz CSPFYTPROLJOSS-GOSISDBHSA-N 1 0 353.466 4.922 40 0 FJABRO C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215667 570533032 /nfs/dbraw/zinc/53/30/32/570533032.db2.gz VEZCNEOJTLTVPH-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935704 570539143 /nfs/dbraw/zinc/53/91/43/570539143.db2.gz QPKWTDWYEPBHIU-UNMCSNQZSA-N 1 0 368.496 4.614 40 0 FJABRO Cc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369983 570546573 /nfs/dbraw/zinc/54/65/73/570546573.db2.gz MSDUWWYIJKGSRE-HXUWFJFHSA-N 1 0 370.456 4.583 40 0 FJABRO O=C(c1cccc2ccccc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408609060 570582401 /nfs/dbraw/zinc/58/24/01/570582401.db2.gz NRSPJAWATAREDE-UHFFFAOYSA-N 1 0 370.496 4.503 40 0 FJABRO CO[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896289 570612514 /nfs/dbraw/zinc/61/25/14/570612514.db2.gz IENZOKQPSSBWKD-RPWUZVMVSA-N 1 0 359.469 4.760 40 0 FJABRO C/C(=C\c1ccccc1)C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1 ZINC000012129046 570720866 /nfs/dbraw/zinc/72/08/66/570720866.db2.gz XBROMOWZXFCOPQ-NECQWFDASA-N 1 0 361.464 4.835 40 0 FJABRO C=Cn1ncc(CN(Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012186673 570724766 /nfs/dbraw/zinc/72/47/66/570724766.db2.gz GRWAWCRLZDUHCT-UHFFFAOYSA-N 1 0 366.553 4.603 40 0 FJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187997 570725274 /nfs/dbraw/zinc/72/52/74/570725274.db2.gz OONUAPAENURZJM-IBGZPJMESA-N 1 0 362.473 4.632 40 0 FJABRO CC(C)[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000012200538 570727268 /nfs/dbraw/zinc/72/72/68/570727268.db2.gz QMQWRPPDAYMXEB-FQEVSTJZSA-N 1 0 374.525 4.613 40 0 FJABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000012241124 570731017 /nfs/dbraw/zinc/73/10/17/570731017.db2.gz PLMCTBRIZVVAKB-INIZCTEOSA-N 1 0 350.487 4.841 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000006949647 570785917 /nfs/dbraw/zinc/78/59/17/570785917.db2.gz ROCOZHAWOCZUCK-UHFFFAOYSA-N 1 0 362.473 4.699 40 0 FJABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063372 570797345 /nfs/dbraw/zinc/79/73/45/570797345.db2.gz SSKPPTNNUCKPMU-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063561 570797564 /nfs/dbraw/zinc/79/75/64/570797564.db2.gz PJLKUCWKTWWVOC-UHFFFAOYSA-N 1 0 354.469 4.800 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000009062901 570802748 /nfs/dbraw/zinc/80/27/48/570802748.db2.gz SDEHHEYZVAHXSK-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](CCc4ccccc4)CC3)o2)s1 ZINC000019217825 570882263 /nfs/dbraw/zinc/88/22/63/570882263.db2.gz KMZZZDSELFVDLF-UHFFFAOYSA-N 1 0 353.491 4.529 40 0 FJABRO c1csc(-c2n[nH]cc2C[N@@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000019371159 570887965 /nfs/dbraw/zinc/88/79/65/570887965.db2.gz RWVFZWCQYXAJQA-UHFFFAOYSA-N 1 0 374.513 4.778 40 0 FJABRO c1ccc(-c2ccc(C[N@H+]3[C@@H]4CC[C@H]3Cc3nc(C5CC5)ncc34)cc2)nc1 ZINC000019402654 570888690 /nfs/dbraw/zinc/88/86/90/570888690.db2.gz NHVDXODXPHDQSV-WMZHIEFXSA-N 1 0 368.484 4.678 40 0 FJABRO Cc1c(-c2cccs2)nn2c1nccc2[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019557702 570893075 /nfs/dbraw/zinc/89/30/75/570893075.db2.gz ABPMAHLAGSIPRH-GOSISDBHSA-N 1 0 374.513 4.756 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000020461895 570917480 /nfs/dbraw/zinc/91/74/80/570917480.db2.gz KINHJALUNZBEDK-QHCPKHFHSA-N 1 0 362.517 4.726 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224590393 570993292 /nfs/dbraw/zinc/99/32/92/570993292.db2.gz FIADILINOBDTRP-UHFFFAOYSA-N 1 0 350.506 4.510 40 0 FJABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224745836 571000055 /nfs/dbraw/zinc/00/00/55/571000055.db2.gz MQHADJPQLBAHGJ-GOSISDBHSA-N 1 0 366.505 4.562 40 0 FJABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806192 571001344 /nfs/dbraw/zinc/00/13/44/571001344.db2.gz KYBAKJZVBBKASU-JLHYYAGUSA-N 1 0 368.908 4.656 40 0 FJABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039761799 571022969 /nfs/dbraw/zinc/02/29/69/571022969.db2.gz BOMQAGMYCLCHJN-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000039755165 571025037 /nfs/dbraw/zinc/02/50/37/571025037.db2.gz QHCZVKBSGKHHIW-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000225377389 571032061 /nfs/dbraw/zinc/03/20/61/571032061.db2.gz FBWBKLAUCWCIKY-KRWDZBQOSA-N 1 0 371.352 4.697 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)C1 ZINC000225474813 571038228 /nfs/dbraw/zinc/03/82/28/571038228.db2.gz WNWDGTRCUQUDKH-IBGZPJMESA-N 1 0 364.533 4.670 40 0 FJABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030869585 571051781 /nfs/dbraw/zinc/05/17/81/571051781.db2.gz PBISLQMTGUYWJW-JOCHJYFZSA-N 1 0 368.521 4.941 40 0 FJABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000030940427 571052918 /nfs/dbraw/zinc/05/29/18/571052918.db2.gz SJSLDYUOWDCWQE-GOSISDBHSA-N 1 0 366.505 4.958 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000225804363 571067691 /nfs/dbraw/zinc/06/76/91/571067691.db2.gz ZSYMANZCZAIEQB-IBGZPJMESA-N 1 0 364.533 4.647 40 0 FJABRO O=C(CCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000036625250 571080499 /nfs/dbraw/zinc/08/04/99/571080499.db2.gz PQGRHXVNOPHYSC-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO Fc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086983 571085470 /nfs/dbraw/zinc/08/54/70/571085470.db2.gz HSBAYIHQSCXMDL-UKILVPOCSA-N 1 0 374.503 4.974 40 0 FJABRO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849568 571087834 /nfs/dbraw/zinc/08/78/34/571087834.db2.gz JMOJJXHJVIMOMU-INIZCTEOSA-N 1 0 360.860 4.638 40 0 FJABRO O=C(NCc1ccccc1Cl)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038857427 571088172 /nfs/dbraw/zinc/08/81/72/571088172.db2.gz YXURANGFYQKUKK-UHFFFAOYSA-N 1 0 356.897 4.646 40 0 FJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1C ZINC000044856660 571103487 /nfs/dbraw/zinc/10/34/87/571103487.db2.gz VGCMOMGOTUTORB-HSZRJFAPSA-N 1 0 364.533 4.783 40 0 FJABRO CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875487 571103551 /nfs/dbraw/zinc/10/35/51/571103551.db2.gz YRQRWXLDVFXGSC-UHFFFAOYSA-N 1 0 368.546 4.715 40 0 FJABRO CC(C)Sc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873229 571103580 /nfs/dbraw/zinc/10/35/80/571103580.db2.gz FVJLMEKYKYMDCE-UHFFFAOYSA-N 1 0 368.546 4.713 40 0 FJABRO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000040413637 571140683 /nfs/dbraw/zinc/14/06/83/571140683.db2.gz VEFQGLMERPXJLP-IBGZPJMESA-N 1 0 364.533 4.670 40 0 FJABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228475 571152573 /nfs/dbraw/zinc/15/25/73/571152573.db2.gz FUAPRVVZKLARCY-FQEVSTJZSA-N 1 0 373.504 4.612 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257255506 571154746 /nfs/dbraw/zinc/15/47/46/571154746.db2.gz KHTJDZWTYBGSGP-FQEVSTJZSA-N 1 0 373.460 4.567 40 0 FJABRO Fc1ccccc1Cc1cnc([C@H]2CCCN2Cc2ccccc2F)o1 ZINC000257264313 571155635 /nfs/dbraw/zinc/15/56/35/571155635.db2.gz LTWDTNPLKXMFLI-HXUWFJFHSA-N 1 0 354.400 4.881 40 0 FJABRO CCCC(=O)N(c1cccc(F)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000575598457 571162867 /nfs/dbraw/zinc/16/28/67/571162867.db2.gz BSGQPGPNNBBEEQ-UHFFFAOYSA-N 1 0 368.496 4.666 40 0 in-vitro FJABRO Cc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072348811 571180225 /nfs/dbraw/zinc/18/02/25/571180225.db2.gz FMTUDJHKSQRHAY-UHFFFAOYSA-N 1 0 357.501 4.755 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072356006 571182394 /nfs/dbraw/zinc/18/23/94/571182394.db2.gz PBLJGXIWDFJSSZ-QHCPKHFHSA-N 1 0 357.501 4.755 40 0 FJABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072358336 571183549 /nfs/dbraw/zinc/18/35/49/571183549.db2.gz QNPQJTPHNFQPMB-QGZVFWFLSA-N 1 0 351.494 4.664 40 0 FJABRO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358581 571183554 /nfs/dbraw/zinc/18/35/54/571183554.db2.gz JTBQRKKTDAUNPS-GOSISDBHSA-N 1 0 364.880 4.572 40 0 FJABRO Clc1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359398 571183827 /nfs/dbraw/zinc/18/38/27/571183827.db2.gz KKHADVPISYHYTB-GOSISDBHSA-N 1 0 364.880 4.572 40 0 FJABRO Clc1cccc(-c2cncc(C3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000072359433 571184058 /nfs/dbraw/zinc/18/40/58/571184058.db2.gz VXCKPTLBMUQNEU-UHFFFAOYSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000072369932 571185068 /nfs/dbraw/zinc/18/50/68/571185068.db2.gz WIHWMIWOOCZBEQ-INIZCTEOSA-N 1 0 353.853 4.688 40 0 FJABRO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000072370668 571185447 /nfs/dbraw/zinc/18/54/47/571185447.db2.gz TWGNXGZBMVMTCE-QGZVFWFLSA-N 1 0 370.562 4.800 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375798 571185817 /nfs/dbraw/zinc/18/58/17/571185817.db2.gz NEUPZJBLTYHRNP-FQEVSTJZSA-N 1 0 359.477 4.569 40 0 FJABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376749 571186120 /nfs/dbraw/zinc/18/61/20/571186120.db2.gz FNXSINYEJKJKHM-HXUWFJFHSA-N 1 0 362.452 4.592 40 0 FJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390033 571189556 /nfs/dbraw/zinc/18/95/56/571189556.db2.gz AOKLXMXIVVYTDV-IBGZPJMESA-N 1 0 362.477 4.635 40 0 FJABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257288610 571205896 /nfs/dbraw/zinc/20/58/96/571205896.db2.gz PUXUBPSPQPJCSC-JTAQYXEDSA-N 1 0 371.569 4.577 40 0 FJABRO CCCCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062837 571302419 /nfs/dbraw/zinc/30/24/19/571302419.db2.gz VGPVFIBMHGURFM-UHFFFAOYSA-N 1 0 350.506 4.880 40 0 FJABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063294 571302495 /nfs/dbraw/zinc/30/24/95/571302495.db2.gz LNLHWRJQISUYSC-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010326529 571303087 /nfs/dbraw/zinc/30/30/87/571303087.db2.gz XFBQSVZNGCZSOW-UHFFFAOYSA-N 1 0 362.395 4.944 40 0 FJABRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1Br ZINC000010338993 571303214 /nfs/dbraw/zinc/30/32/14/571303214.db2.gz UYCGCKSNWCSVQG-UHFFFAOYSA-N 1 0 373.294 4.606 40 0 FJABRO O=C1N(Cc2ccc(F)cc2)CC=CCC12CC[NH+](C1CCCCC1)CC2 ZINC000019744840 571304878 /nfs/dbraw/zinc/30/48/78/571304878.db2.gz ZPQCWFHJCVLLSB-UHFFFAOYSA-N 1 0 370.512 4.529 40 0 FJABRO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020452685 571305148 /nfs/dbraw/zinc/30/51/48/571305148.db2.gz ARADLAYSKOKUOL-PMACEKPBSA-N 1 0 364.533 4.670 40 0 FJABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000215908089 222654835 /nfs/dbraw/zinc/65/48/35/222654835.db2.gz ARADLAYSKOKUOL-WOJBJXKFSA-N 1 0 364.533 4.670 40 0 FJABRO c1csc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306123358 210049479 /nfs/dbraw/zinc/04/94/79/210049479.db2.gz AKXDYIKPQILULJ-IBGZPJMESA-N 1 0 360.486 4.795 40 0 FJABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000257314951 223063341 /nfs/dbraw/zinc/06/33/41/223063341.db2.gz UZGPBHLYMSANIR-LJQANCHMSA-N 1 0 365.525 4.683 40 0 FJABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000257314950 223062845 /nfs/dbraw/zinc/06/28/45/223062845.db2.gz UZGPBHLYMSANIR-IBGZPJMESA-N 1 0 365.525 4.683 40 0 FJABRO O[C@H](c1cc(-c2cccc(Cl)c2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001596775 204012996 /nfs/dbraw/zinc/01/29/96/204012996.db2.gz RFNVOGZLEKVTMA-TZIWHRDSSA-N 1 0 352.865 4.731 40 0 FJABRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002694359 204052492 /nfs/dbraw/zinc/05/24/92/204052492.db2.gz MBUFPEQXFYNLOA-JOCHJYFZSA-N 1 0 367.533 4.504 40 0 FJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000005155758 204194444 /nfs/dbraw/zinc/19/44/44/204194444.db2.gz UVOCKBWJADXADZ-VABKMULXSA-N 1 0 369.480 4.703 40 0 FJABRO Fc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446917 204283532 /nfs/dbraw/zinc/28/35/32/204283532.db2.gz PBHOPUXTAPAFIU-ZDUSSCGKSA-N 1 0 364.342 4.975 40 0 biogenic,in-vitro FJABRO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849625 205042307 /nfs/dbraw/zinc/04/23/07/205042307.db2.gz IGWUJLCEUCKWPH-MRXNPFEDSA-N 1 0 360.860 4.638 40 0 FJABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741276 205021370 /nfs/dbraw/zinc/02/13/70/205021370.db2.gz CFRADDLXFKVKJF-IBGZPJMESA-N 1 0 374.598 4.629 40 0 FJABRO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833462 205042835 /nfs/dbraw/zinc/04/28/35/205042835.db2.gz WLSONQXVTOPOAU-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873269 205113189 /nfs/dbraw/zinc/11/31/89/205113189.db2.gz YDQNNZNQDPAPOE-JLHYYAGUSA-N 1 0 368.908 4.656 40 0 FJABRO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044905899 205115143 /nfs/dbraw/zinc/11/51/43/205115143.db2.gz ZSGFEKSKZACRQP-LJQANCHMSA-N 1 0 350.506 4.780 40 0 FJABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000044938609 205115878 /nfs/dbraw/zinc/11/58/78/205115878.db2.gz JHDRKXOOTGJKBH-UHFFFAOYSA-N 1 0 368.546 4.958 40 0 FJABRO C[C@H]1CC2=C(C[C@@H]1[C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944161 205196067 /nfs/dbraw/zinc/19/60/67/205196067.db2.gz KCELIKSTAFGHFD-ZUEVXXBESA-N 1 0 363.509 4.637 40 0 FJABRO CCCSc1ncc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cn1 ZINC000057822961 205246191 /nfs/dbraw/zinc/24/61/91/205246191.db2.gz RBVGYIXCCGMLEP-UHFFFAOYSA-N 1 0 357.523 4.546 40 0 FJABRO CCC[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226774870 206123688 /nfs/dbraw/zinc/12/36/88/206123688.db2.gz HFTWWOXOAFAZQQ-UHFFFAOYSA-N 1 0 352.639 4.608 40 0 FJABRO c1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000000860553 206136348 /nfs/dbraw/zinc/13/63/48/206136348.db2.gz RWXXRWKESYQAKM-UHFFFAOYSA-N 1 0 364.518 4.512 40 0 FJABRO C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000035075099 211629442 /nfs/dbraw/zinc/62/94/42/211629442.db2.gz ZHNJYJRWQXTHLL-TWOQFEAHSA-N 1 0 374.956 4.703 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 ZINC000022521840 211354712 /nfs/dbraw/zinc/35/47/12/211354712.db2.gz XQTDKSUFVZFWNA-INIZCTEOSA-N 1 0 372.534 4.656 40 0 FJABRO CSc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000022509181 211352768 /nfs/dbraw/zinc/35/27/68/211352768.db2.gz ILHDFWUIKITQQF-MRXNPFEDSA-N 1 0 354.519 4.893 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022514355 211352265 /nfs/dbraw/zinc/35/22/65/211352265.db2.gz JLHDSXYAQJERPA-IBGZPJMESA-N 1 0 350.506 4.718 40 0 FJABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020491851 211283794 /nfs/dbraw/zinc/28/37/94/211283794.db2.gz KPJKFHHUYWUMGA-SFHVURJKSA-N 1 0 368.974 4.593 40 0 FJABRO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020481275 211283212 /nfs/dbraw/zinc/28/32/12/211283212.db2.gz VBYMMIUNBAHRQX-OAHLLOKOSA-N 1 0 372.896 4.833 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000020046907 211265169 /nfs/dbraw/zinc/26/51/69/211265169.db2.gz VLLIYTVYPXHALX-SJORKVTESA-N 1 0 354.469 4.549 40 0 FJABRO Cc1cc(C[C@@H]2CCC[C@H]2[N@H+](Cc2cccs2)Cc2ccncc2)on1 ZINC000019120496 211201823 /nfs/dbraw/zinc/20/18/23/211201823.db2.gz CNRFVWGKIQCBAL-GHTZIAJQSA-N 1 0 367.518 4.853 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)cc1 ZINC000018132102 211191750 /nfs/dbraw/zinc/19/17/50/211191750.db2.gz MKKJWJGHWSIISJ-JOCHJYFZSA-N 1 0 366.505 4.562 40 0 FJABRO Cc1cc2nc([C@H]3CCC[N@@H+](C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226824 211028838 /nfs/dbraw/zinc/02/88/38/211028838.db2.gz XVASHKJSVAUYCK-AWEZNQCLSA-N 1 0 366.431 4.569 40 0 FJABRO O[C@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc21)[C@@H]1CCCC[NH2+]1 ZINC000001683269 210365418 /nfs/dbraw/zinc/36/54/18/210365418.db2.gz YVTAGCVIOXWKOW-PZJWPPBQSA-N 1 0 352.865 4.731 40 0 FJABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000049169021 221020451 /nfs/dbraw/zinc/02/04/51/221020451.db2.gz GEYNCDPYQZKMAZ-ZDUSSCGKSA-N 1 0 363.358 4.710 40 0 biogenic,in-vitro FJABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000049171205 221020849 /nfs/dbraw/zinc/02/08/49/221020849.db2.gz FCOFPJYCVANOKC-HNNXBMFYSA-N 1 0 359.395 4.582 40 0 biogenic,in-vitro FJABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C(C)C)C3)c2)c1 ZINC000257291192 533620579 /nfs/dbraw/zinc/62/05/79/533620579.db2.gz QGBDNUOOOPABMT-KRWDZBQOSA-N 1 0 367.493 4.504 40 0 FJABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000328995809 132372313 /nfs/dbraw/zinc/37/23/13/132372313.db2.gz JIJSALBQPKCSHV-INIZCTEOSA-N 1 0 350.510 4.735 40 0 FJABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccco3)CC1)nc2-c1ccccc1 ZINC000096099922 222021988 /nfs/dbraw/zinc/02/19/88/222021988.db2.gz ZYINDPRIOYADSY-UHFFFAOYSA-N 1 0 372.472 4.608 40 0 FJABRO Clc1ccccc1CN1CCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214648 222080173 /nfs/dbraw/zinc/08/01/73/222080173.db2.gz KDUUEEJSPMAZLZ-QFIPXVFZSA-N 1 0 354.925 4.971 40 0 FJABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1cccs1 ZINC000007274958 263349511 /nfs/dbraw/zinc/34/95/11/263349511.db2.gz DKGFKYISGAABOQ-UHFFFAOYSA-N 1 0 374.893 4.674 40 0 FJABRO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017073411 263371458 /nfs/dbraw/zinc/37/14/58/263371458.db2.gz GUGWDNBEHLSAHR-MDWZMJQESA-N 1 0 354.881 4.978 40 0 FJABRO O=C(COc1ccc2ccccc2c1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017076655 263372179 /nfs/dbraw/zinc/37/21/79/263372179.db2.gz OWAIEBRDAITWTH-UHFFFAOYSA-N 1 0 374.484 4.843 40 0 FJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)cc1 ZINC000022076228 263385027 /nfs/dbraw/zinc/38/50/27/263385027.db2.gz HMPXENXRUDGFSH-UHFFFAOYSA-N 1 0 367.420 4.595 40 0 FJABRO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039743731 263399841 /nfs/dbraw/zinc/39/98/41/263399841.db2.gz OGZFJMLEUCGNSE-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH3+])[C@@]4(C)CC[C@@H]32)C1 ZINC000118928621 263453754 /nfs/dbraw/zinc/45/37/54/263453754.db2.gz VJYVCSBIXCOHFV-RRPVOMPVSA-N 1 0 361.570 4.924 40 0 FJABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 ZINC000257324180 534192027 /nfs/dbraw/zinc/19/20/27/534192027.db2.gz WNOFXTDYWPXWCO-QGZVFWFLSA-N 1 0 367.493 4.504 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1 ZINC000020044876 522782604 /nfs/dbraw/zinc/78/26/04/522782604.db2.gz XVRCPAGGYBLPKO-JOCHJYFZSA-N 1 0 350.506 4.862 40 0 FJABRO CC(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425512 560080257 /nfs/dbraw/zinc/08/02/57/560080257.db2.gz ASPNREICVDRVDX-SFHVURJKSA-N 1 0 370.497 4.636 40 0 biogenic,in-vitro FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2cccc3ccccc32)CC1 ZINC000222875792 568574861 /nfs/dbraw/zinc/57/48/61/568574861.db2.gz SBJIARLHTPPDRI-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215637 570527761 /nfs/dbraw/zinc/52/77/61/570527761.db2.gz IKRPWWDGVQMLJL-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215325 570531034 /nfs/dbraw/zinc/53/10/34/570531034.db2.gz SOYGEFNYRVQWTR-GOSISDBHSA-N 1 0 359.514 4.778 40 0 FJABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215401 570531701 /nfs/dbraw/zinc/53/17/01/570531701.db2.gz IJQWYGMZODBDSX-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215441 570531691 /nfs/dbraw/zinc/53/16/91/570531691.db2.gz CGHHPTGHTAFXPX-GOSISDBHSA-N 1 0 359.514 4.921 40 0 FJABRO C[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215576 570532218 /nfs/dbraw/zinc/53/22/18/570532218.db2.gz OLWOHLVAFVNJFR-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934860 570539254 /nfs/dbraw/zinc/53/92/54/570539254.db2.gz YWLNRFLHNUCKAM-ICSRJNTNSA-N 1 0 368.496 4.532 40 0 FJABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376753 570546843 /nfs/dbraw/zinc/54/68/43/570546843.db2.gz IUVIBVBVXNWYCY-HXUWFJFHSA-N 1 0 362.452 4.592 40 0 FJABRO CCC[C@@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004100018 570576033 /nfs/dbraw/zinc/57/60/33/570576033.db2.gz XVMYIMXBHZVAHC-AZIXLERZSA-N 1 0 369.505 4.647 40 0 FJABRO CC[NH+](CC)CCCN(c1ccccc1)[C@H]1Cc2ccccc2[C@@H]1OC ZINC000005316022 570623670 /nfs/dbraw/zinc/62/36/70/570623670.db2.gz QQGGXAOUSKREAE-GOTSBHOMSA-N 1 0 352.522 4.537 40 0 in-man FJABRO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)CSCC[NH3+] ZINC000253596371 570626017 /nfs/dbraw/zinc/62/60/17/570626017.db2.gz QNALNJDVSSJNFL-CUCLYRJJSA-N 1 0 365.627 4.842 40 0 FJABRO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010430416 570700711 /nfs/dbraw/zinc/70/07/11/570700711.db2.gz KNDIFSOJGOBJSW-UHFFFAOYSA-N 1 0 363.505 4.525 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000006949658 570785869 /nfs/dbraw/zinc/78/58/69/570785869.db2.gz FOGPRRKEMQSFLS-UHFFFAOYSA-N 1 0 362.473 4.699 40 0 FJABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000018177319 570876225 /nfs/dbraw/zinc/87/62/25/570876225.db2.gz YCUSFEYKEUVPNT-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO COc1cc2c(cc1OC)[C@@H]([C@H]1CC=CCC1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216048 570882014 /nfs/dbraw/zinc/88/20/14/570882014.db2.gz KCOOJXQVUATHNA-LERMDLETSA-N 1 0 364.489 4.692 40 0 FJABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000019496084 570890133 /nfs/dbraw/zinc/89/01/33/570890133.db2.gz VIVGZCFEEOYASN-IYBDPMFKSA-N 1 0 370.497 4.606 40 0 FJABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019558083 570893038 /nfs/dbraw/zinc/89/30/38/570893038.db2.gz DZDZBOVYVICGQV-NRFANRHFSA-N 1 0 363.461 4.863 40 0 FJABRO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224535941 570992820 /nfs/dbraw/zinc/99/28/20/570992820.db2.gz JNCINWQYXVJMAY-UHFFFAOYSA-N 1 0 364.961 4.883 40 0 FJABRO O=C(/C=C/c1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224805963 571001302 /nfs/dbraw/zinc/00/13/02/571001302.db2.gz XKGUAZQCZWYAGZ-OUKQBFOZSA-N 1 0 368.908 4.656 40 0 FJABRO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220714 571027785 /nfs/dbraw/zinc/02/77/85/571027785.db2.gz CSMOUCKAIVJUJI-GOSISDBHSA-N 1 0 356.897 4.753 40 0 FJABRO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220567 571027964 /nfs/dbraw/zinc/02/79/64/571027964.db2.gz NMGLLLMYBLLZQZ-KRWDZBQOSA-N 1 0 372.896 4.589 40 0 FJABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1 ZINC000225597294 571048223 /nfs/dbraw/zinc/04/82/23/571048223.db2.gz PHXCWECPMMOLIV-UHFFFAOYSA-N 1 0 358.526 4.706 40 0 FJABRO CC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225597490 571048237 /nfs/dbraw/zinc/04/82/37/571048237.db2.gz ZMTRFHDTZHTJJY-UHFFFAOYSA-N 1 0 358.526 4.850 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000030755533 571049577 /nfs/dbraw/zinc/04/95/77/571049577.db2.gz ZBZQFGXJKAESST-UHFFFAOYSA-N 1 0 360.498 4.539 40 0 FJABRO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030938174 571052856 /nfs/dbraw/zinc/05/28/56/571052856.db2.gz NLAIVDSSMYQABA-OAQYLSRUSA-N 1 0 350.506 4.880 40 0 FJABRO S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035311838 571076382 /nfs/dbraw/zinc/07/63/82/571076382.db2.gz UGEXXCHEIXWTRU-SEJPIABJSA-N 1 0 365.546 4.559 40 0 FJABRO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834283 571086971 /nfs/dbraw/zinc/08/69/71/571086971.db2.gz FERWOKBIOOTKRM-KRWDZBQOSA-N 1 0 372.896 4.589 40 0 FJABRO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833752 571087346 /nfs/dbraw/zinc/08/73/46/571087346.db2.gz ZFXVRXWNPGFHAO-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000038849823 571087654 /nfs/dbraw/zinc/08/76/54/571087654.db2.gz FPRFOGCKNZJFJJ-UHFFFAOYSA-N 1 0 359.351 4.511 40 0 FJABRO CSc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786557 571102104 /nfs/dbraw/zinc/10/21/04/571102104.db2.gz XZVRZFRGAUHVRH-MRXNPFEDSA-N 1 0 374.937 4.913 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856338 571103085 /nfs/dbraw/zinc/10/30/85/571103085.db2.gz VGIYDNIGQNEADS-GHTZIAJQSA-N 1 0 368.496 4.532 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000044856352 571103171 /nfs/dbraw/zinc/10/31/71/571103171.db2.gz MAIRXFWYQHPQOP-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1C ZINC000044856659 571103491 /nfs/dbraw/zinc/10/34/91/571103491.db2.gz VGCMOMGOTUTORB-QHCPKHFHSA-N 1 0 364.533 4.783 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044933469 571104869 /nfs/dbraw/zinc/10/48/69/571104869.db2.gz JNPGQXWQWDGEEP-QGZVFWFLSA-N 1 0 370.924 4.738 40 0 FJABRO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912825 571104983 /nfs/dbraw/zinc/10/49/83/571104983.db2.gz SVAWLAPZEJNREM-QFBILLFUSA-N 1 0 368.908 4.530 40 0 FJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(F)cc1 ZINC000044934274 571105251 /nfs/dbraw/zinc/10/52/51/571105251.db2.gz XRDDUDMRCSNSIE-QGZVFWFLSA-N 1 0 354.469 4.549 40 0 FJABRO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044938580 571105270 /nfs/dbraw/zinc/10/52/70/571105270.db2.gz YWHAKFKWUBZTFR-QGZVFWFLSA-N 1 0 372.509 4.788 40 0 FJABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044938647 571105313 /nfs/dbraw/zinc/10/53/13/571105313.db2.gz LKOJYAWGNFFOMA-UHFFFAOYSA-N 1 0 372.509 4.788 40 0 FJABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044936813 571105337 /nfs/dbraw/zinc/10/53/37/571105337.db2.gz KBUVOIIFULJJIK-HSZRJFAPSA-N 1 0 364.533 4.802 40 0 FJABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCCC2)[nH+]1 ZINC000329033817 571108273 /nfs/dbraw/zinc/10/82/73/571108273.db2.gz QWIYUZSKBZQGIG-UHFFFAOYSA-N 1 0 350.510 4.827 40 0 FJABRO Fc1ccc(-c2cnc(Nc3cc(C4CC[NH2+]CC4)ccn3)s2)cc1F ZINC000143383869 571114789 /nfs/dbraw/zinc/11/47/89/571114789.db2.gz XBFBZDWOTVOTJM-UHFFFAOYSA-N 1 0 372.444 4.694 40 0 FJABRO c1nc(Nc2cccc(CC[C@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585263257 571125442 /nfs/dbraw/zinc/12/54/42/571125442.db2.gz SMFJUIRNIKRYDK-MRXNPFEDSA-N 1 0 350.491 4.633 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257255507 571154730 /nfs/dbraw/zinc/15/47/30/571154730.db2.gz KHTJDZWTYBGSGP-HXUWFJFHSA-N 1 0 373.460 4.567 40 0 FJABRO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 ZINC000257307276 571160103 /nfs/dbraw/zinc/16/01/03/571160103.db2.gz SXZBDQODHWGDST-OAQYLSRUSA-N 1 0 366.896 4.863 40 0 FJABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348843 571180313 /nfs/dbraw/zinc/18/03/13/571180313.db2.gz GXDYPEKTNDEOIE-FQEVSTJZSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348854 571180487 /nfs/dbraw/zinc/18/04/87/571180487.db2.gz SFLHXKNHWLPAAR-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1C ZINC000072376435 571186143 /nfs/dbraw/zinc/18/61/43/571186143.db2.gz RJKYUCMQJXJDES-FQEVSTJZSA-N 1 0 359.477 4.569 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccc(C)cc4)C3)o2)s1 ZINC000072390096 571189520 /nfs/dbraw/zinc/18/95/20/571189520.db2.gz OODKBXQKLGMKID-QGZVFWFLSA-N 1 0 353.491 4.795 40 0 FJABRO Clc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390075 571189636 /nfs/dbraw/zinc/18/96/36/571189636.db2.gz LJYBXIGTMOEAPK-AWEZNQCLSA-N 1 0 359.882 4.831 40 0 FJABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390076 571189677 /nfs/dbraw/zinc/18/96/77/571189677.db2.gz LJYBXIGTMOEAPK-CQSZACIVSA-N 1 0 359.882 4.831 40 0 FJABRO Cc1ccc(-[n+]2c3c(cc4c2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 ZINC000005546378 219687736 /nfs/dbraw/zinc/68/77/36/219687736.db2.gz HNZQGVQHTPCFDM-UHFFFAOYSA-N 1 0 362.493 4.582 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)CC(C)C)C2)[nH+]1 ZINC000257318306 223065013 /nfs/dbraw/zinc/06/50/13/223065013.db2.gz VNIHXRHCTIWAON-INIZCTEOSA-N 1 0 355.457 4.635 40 0 FJABRO CCOc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cc1 ZINC000013570216 220074593 /nfs/dbraw/zinc/07/45/93/220074593.db2.gz DYSQWUJHIAQJJN-UHFFFAOYSA-N 1 0 362.473 4.691 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc(C)cc3)CC2)o1 ZINC000019210207 220239615 /nfs/dbraw/zinc/23/96/15/220239615.db2.gz PTEXMEOTBQIBHY-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1 ZINC000019454162 220257645 /nfs/dbraw/zinc/25/76/45/220257645.db2.gz VXFLEUOBDVRCOX-LRSLUSHPSA-N 1 0 365.521 4.671 40 0 FJABRO Cc1c(-c2cccs2)nn2c1nccc2[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019557705 220270784 /nfs/dbraw/zinc/27/07/84/220270784.db2.gz ABPMAHLAGSIPRH-SFHVURJKSA-N 1 0 374.513 4.756 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000005164653 207084117 /nfs/dbraw/zinc/08/41/17/207084117.db2.gz HMOJGKUPOBIJBW-SGNDLWITSA-N 1 0 365.517 4.872 40 0 FJABRO Cc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)C(C)C)nc1 ZINC000005389724 207098180 /nfs/dbraw/zinc/09/81/80/207098180.db2.gz LLQAHZZCUBNWMJ-YCAMKHIRSA-N 1 0 364.533 4.615 40 0 FJABRO C[C@@H](CC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000006487036 207142838 /nfs/dbraw/zinc/14/28/38/207142838.db2.gz XBOQPGNZBJLXJS-FQEVSTJZSA-N 1 0 372.512 4.952 40 0 FJABRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]21 ZINC000009356586 207268555 /nfs/dbraw/zinc/26/85/55/207268555.db2.gz ORYWHTWXSGORLG-JPYKHTKGSA-N 1 0 371.521 4.505 40 0 FJABRO Cc1c(C[NH2+]C2(c3ccccc3F)CCCC2)cnn1Cc1ccccc1 ZINC000012344232 207363387 /nfs/dbraw/zinc/36/33/87/207363387.db2.gz GUAGCEWQHIRFRD-UHFFFAOYSA-N 1 0 363.480 4.938 40 0 FJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 ZINC000012499305 207383454 /nfs/dbraw/zinc/38/34/54/207383454.db2.gz CJXAPECVTXGGGB-FRIKZZABSA-N 1 0 369.553 4.512 40 0 FJABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236223 207651367 /nfs/dbraw/zinc/65/13/67/207651367.db2.gz BSHKLQNUVVOLCE-AWEZNQCLSA-N 1 0 372.419 4.552 40 0 FJABRO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944006 208008564 /nfs/dbraw/zinc/00/85/64/208008564.db2.gz VQORJZJXOCTZCI-GOSISDBHSA-N 1 0 362.945 4.781 40 0 FJABRO FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000035446528 208124628 /nfs/dbraw/zinc/12/46/28/208124628.db2.gz QSZCNPIMKZCFCG-AWEZNQCLSA-N 1 0 362.351 4.716 40 0 biogenic,in-vitro FJABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833337 208206466 /nfs/dbraw/zinc/20/64/66/208206466.db2.gz VZGCPNLIKRYNKH-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856092 208207519 /nfs/dbraw/zinc/20/75/19/208207519.db2.gz APPGOWJQSGFYEY-LJQANCHMSA-N 1 0 354.469 4.602 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 ZINC000038857429 208208451 /nfs/dbraw/zinc/20/84/51/208208451.db2.gz KZQLGWIOLVYLME-UHFFFAOYSA-N 1 0 356.897 4.502 40 0 FJABRO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833458 208205276 /nfs/dbraw/zinc/20/52/76/208205276.db2.gz DLIURSFFQPDCRL-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044856399 208320604 /nfs/dbraw/zinc/32/06/04/208320604.db2.gz ZSYNBAJOVKWESP-LJQANCHMSA-N 1 0 350.506 4.780 40 0 FJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(C)cc1 ZINC000044935727 208322530 /nfs/dbraw/zinc/32/25/30/208322530.db2.gz ARIYMTRCDYAYQP-QHCPKHFHSA-N 1 0 364.533 4.783 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000044934265 208323158 /nfs/dbraw/zinc/32/31/58/208323158.db2.gz PAVYWOMSEQVXNO-KRWDZBQOSA-N 1 0 354.469 4.693 40 0 FJABRO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044905901 208323491 /nfs/dbraw/zinc/32/34/91/208323491.db2.gz ZSGFEKSKZACRQP-IBGZPJMESA-N 1 0 350.506 4.780 40 0 FJABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358516 208837886 /nfs/dbraw/zinc/83/78/86/208837886.db2.gz SYDDHUZZHKNJNO-NRFANRHFSA-N 1 0 373.500 4.574 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039763174 220865792 /nfs/dbraw/zinc/86/57/92/220865792.db2.gz FPLVCRRDQVEWDY-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO Cc1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc(C)c1OCc1ccccc1 ZINC000095095412 209021728 /nfs/dbraw/zinc/02/17/28/209021728.db2.gz QQFQAYIPMIKJGS-LJQANCHMSA-N 1 0 363.461 4.747 40 0 FJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169415 221020414 /nfs/dbraw/zinc/02/04/14/221020414.db2.gz HOQBLBLEFMOKEA-HNNXBMFYSA-N 1 0 357.816 4.519 40 0 biogenic,in-vitro FJABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)CC(C)C)C3)c2)c1 ZINC000257215476 533619872 /nfs/dbraw/zinc/61/98/72/533619872.db2.gz CQGIWNDCOMUTIZ-QGZVFWFLSA-N 1 0 367.493 4.504 40 0 FJABRO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(NCc2ccccc2)[nH+]1 ZINC000328967571 132371799 /nfs/dbraw/zinc/37/17/99/132371799.db2.gz CVRZUYAKAGRPTD-UHFFFAOYSA-N 1 0 358.489 4.695 40 0 FJABRO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000329035300 132372717 /nfs/dbraw/zinc/37/27/17/132372717.db2.gz RCOKDKABWXJZMT-QGZVFWFLSA-N 1 0 364.537 4.718 40 0 FJABRO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)[NH3+])[C@@]4(C)CC[C@@H]32)C1 ZINC000082041029 221697388 /nfs/dbraw/zinc/69/73/88/221697388.db2.gz SYGYUPQRRFLXHY-ZLTRAVGQSA-N 1 0 359.554 4.844 40 0 FJABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)s1 ZINC000096049437 222001538 /nfs/dbraw/zinc/00/15/38/222001538.db2.gz PBYYBBJCCCZLQC-UHFFFAOYSA-N 1 0 368.546 4.522 40 0 FJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1 ZINC000007523986 263351875 /nfs/dbraw/zinc/35/18/75/263351875.db2.gz DEYDEPOONUOINA-UHFFFAOYSA-N 1 0 353.487 4.668 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000039744247 263399155 /nfs/dbraw/zinc/39/91/55/263399155.db2.gz YDCWURBYAIWVRE-UHFFFAOYSA-N 1 0 350.506 4.771 40 0 FJABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000039752657 263399367 /nfs/dbraw/zinc/39/93/67/263399367.db2.gz LYIGVNKHVGFGNN-UHFFFAOYSA-N 1 0 350.506 4.771 40 0 FJABRO Cc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020459175 524318252 /nfs/dbraw/zinc/31/82/52/524318252.db2.gz CFMUEJMTWZMMFO-HXUWFJFHSA-N 1 0 364.533 4.590 40 0 FJABRO Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247542640 526335185 /nfs/dbraw/zinc/33/51/85/526335185.db2.gz SVFQQPZSZOXLGQ-BWAGFHJFSA-N 1 0 370.899 4.891 40 0 FJABRO CC(C)CCC[C@]1(C)Oc2c(O)cccc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257297388 527706649 /nfs/dbraw/zinc/70/66/49/527706649.db2.gz RHAPBGJDXYDFHA-DWLFOUALSA-N 1 0 373.537 4.817 40 0 FJABRO Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446575 560079260 /nfs/dbraw/zinc/07/92/60/560079260.db2.gz BQUHIEKANXEKGH-HNNXBMFYSA-N 1 0 359.395 4.880 40 0 biogenic,in-vitro FJABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000216118505 568106710 /nfs/dbraw/zinc/10/67/10/568106710.db2.gz VLLIYTVYPXHALX-IAGOWNOFSA-N 1 0 354.469 4.549 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000223315361 568638849 /nfs/dbraw/zinc/63/88/49/568638849.db2.gz PDSNBSXUHKKPNO-IBGZPJMESA-N 1 0 364.533 4.647 40 0 FJABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](C3CCC(C)(C)CC3)CC2)c1 ZINC000585281335 570492626 /nfs/dbraw/zinc/49/26/26/570492626.db2.gz IKPNGBJMSWQJLD-UHFFFAOYSA-N 1 0 365.945 4.823 40 0 FJABRO O[C@@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc21)[C@@H]1CCCC[NH2+]1 ZINC000001683268 570504546 /nfs/dbraw/zinc/50/45/46/570504546.db2.gz YVTAGCVIOXWKOW-FPOVZHCZSA-N 1 0 352.865 4.731 40 0 FJABRO c1ccc(-n2nc3c(c2OCC[NH+]2CCCC2)CCCc2ccccc2-3)cc1 ZINC000001729462 570506010 /nfs/dbraw/zinc/50/60/10/570506010.db2.gz WUKPLRBLPUKDLI-UHFFFAOYSA-N 1 0 373.500 4.503 40 0 FJABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214488 570530114 /nfs/dbraw/zinc/53/01/14/570530114.db2.gz GTAFWVWAHRFTSZ-LJQANCHMSA-N 1 0 367.493 4.790 40 0 FJABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214487 570530160 /nfs/dbraw/zinc/53/01/60/570530160.db2.gz GTAFWVWAHRFTSZ-IBGZPJMESA-N 1 0 367.493 4.790 40 0 FJABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215443 570531624 /nfs/dbraw/zinc/53/16/24/570531624.db2.gz LMECLZAKCFBOCZ-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215504 570531685 /nfs/dbraw/zinc/53/16/85/570531685.db2.gz VZSSDYRAXVOMDY-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215668 570532909 /nfs/dbraw/zinc/53/29/09/570532909.db2.gz VEZCNEOJTLTVPH-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO Cc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369984 570546785 /nfs/dbraw/zinc/54/67/85/570546785.db2.gz MSDUWWYIJKGSRE-FQEVSTJZSA-N 1 0 370.456 4.583 40 0 FJABRO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000004886424 570612262 /nfs/dbraw/zinc/61/22/62/570612262.db2.gz IRLUKAZRDUMIGH-YQQQUEKLSA-N 1 0 369.534 4.682 40 0 FJABRO CCCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1OCCCC ZINC000005420718 570626733 /nfs/dbraw/zinc/62/67/33/570626733.db2.gz HPPCTOMGOMKUTJ-UHFFFAOYSA-N 1 0 365.514 4.543 40 0 FJABRO CCOC(=O)[C@@H](c1ccccc1)N(CCC[NH+](CC)CC)c1ccccc1 ZINC000005422138 570626821 /nfs/dbraw/zinc/62/68/21/570626821.db2.gz PJUVQIWQLTZLSP-JOCHJYFZSA-N 1 0 368.521 4.529 40 0 FJABRO CC[NH+](CC)CC[C@@](CCc1ccccc1)(C(=O)OC)c1cccs1 ZINC000006382386 570646154 /nfs/dbraw/zinc/64/61/54/570646154.db2.gz CEHPYKHGMYQFNH-OAQYLSRUSA-N 1 0 359.535 4.524 40 0 FJABRO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)cc1 ZINC000004857131 570671448 /nfs/dbraw/zinc/67/14/48/570671448.db2.gz XUZJWZGWBYJWQF-VCSGRIEYSA-N 1 0 371.594 4.864 40 0 FJABRO CC(C)COc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000006358003 570780345 /nfs/dbraw/zinc/78/03/45/570780345.db2.gz AQOPHGPJCZKVHU-UHFFFAOYSA-N 1 0 352.478 4.570 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013674032 570783805 /nfs/dbraw/zinc/78/38/05/570783805.db2.gz MHPNFTJMVGDIIC-JOCHJYFZSA-N 1 0 350.506 4.738 40 0 FJABRO CCCCOc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000006651401 570784305 /nfs/dbraw/zinc/78/43/05/570784305.db2.gz HWGGDKMDCVFHBM-UHFFFAOYSA-N 1 0 354.494 4.960 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000009063273 570797076 /nfs/dbraw/zinc/79/70/76/570797076.db2.gz UJIMPISYDMINKP-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO COc1cc2c(cc1OC)[C@@H](C1CCCCC1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216052 570881820 /nfs/dbraw/zinc/88/18/20/570881820.db2.gz KCBBSGQWTDTQQL-NFBKMPQASA-N 1 0 366.505 4.916 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccc(F)c4)CC3)o2)s1 ZINC000019217851 570882421 /nfs/dbraw/zinc/88/24/21/570882421.db2.gz NTOXVTHJUHTEFY-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO Fc1cc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)ccc1Cl ZINC000019347406 570886827 /nfs/dbraw/zinc/88/68/27/570886827.db2.gz YIYBBOICMOSFIU-UHFFFAOYSA-N 1 0 355.844 4.802 40 0 FJABRO c1ccc2c(c1)cccc2C[NH+]1CCC(c2nnc(-c3cccnc3)o2)CC1 ZINC000019376371 570888684 /nfs/dbraw/zinc/88/86/84/570888684.db2.gz LDUFUDUCFDZRHO-UHFFFAOYSA-N 1 0 370.456 4.664 40 0 FJABRO C[C@H](C[N@H+](C)Cc1c2cccnc2[nH]c1C1CCOCC1)c1ccccc1 ZINC000019455971 570889586 /nfs/dbraw/zinc/88/95/86/570889586.db2.gz TTWYRXKUCDNSBF-QGZVFWFLSA-N 1 0 363.505 4.692 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000020106182 570909863 /nfs/dbraw/zinc/90/98/63/570909863.db2.gz QKVUZXWSMOOBHG-CQSZACIVSA-N 1 0 360.860 4.963 40 0 FJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536148 570992834 /nfs/dbraw/zinc/99/28/34/570992834.db2.gz QTAXQSLQAFJCEL-QGZVFWFLSA-N 1 0 364.961 4.885 40 0 FJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000224758877 571000347 /nfs/dbraw/zinc/00/03/47/571000347.db2.gz QFVWZOLRHKQDEU-UHFFFAOYSA-N 1 0 370.496 4.879 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000039772941 571023983 /nfs/dbraw/zinc/02/39/83/571023983.db2.gz LYOUEHNSTPGBKD-UHFFFAOYSA-N 1 0 366.505 4.633 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000039772468 571024146 /nfs/dbraw/zinc/02/41/46/571024146.db2.gz WFTQFPXEBJWXLE-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039751094 571024616 /nfs/dbraw/zinc/02/46/16/571024616.db2.gz ZATPMVKWVOPMGO-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039758143 571026294 /nfs/dbraw/zinc/02/62/94/571026294.db2.gz PQIUBHCFKWREGF-UHFFFAOYSA-N 1 0 350.506 4.717 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000225377358 571032032 /nfs/dbraw/zinc/03/20/32/571032032.db2.gz FBWBKLAUCWCIKY-QGZVFWFLSA-N 1 0 371.352 4.697 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000225581537 571046985 /nfs/dbraw/zinc/04/69/85/571046985.db2.gz IPEBYHSGADTIFA-MRXNPFEDSA-N 1 0 353.963 4.589 40 0 FJABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225597343 571048234 /nfs/dbraw/zinc/04/82/34/571048234.db2.gz DDCMYQBBIRAXAD-GOSISDBHSA-N 1 0 358.526 4.706 40 0 FJABRO C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCCCCCO ZINC000033703531 571066538 /nfs/dbraw/zinc/06/65/38/571066538.db2.gz DPRSBWGNESQTLG-QCCYXRBGSA-N 1 0 371.565 4.759 40 0 FJABRO Fc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086982 571085680 /nfs/dbraw/zinc/08/56/80/571085680.db2.gz HSBAYIHQSCXMDL-ZCYQVOJMSA-N 1 0 374.503 4.974 40 0 FJABRO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833756 571087198 /nfs/dbraw/zinc/08/71/98/571087198.db2.gz RYVXOAAXHSHOBG-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833813 571087264 /nfs/dbraw/zinc/08/72/64/571087264.db2.gz TVJITKREZZKUPD-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849437 571087763 /nfs/dbraw/zinc/08/77/63/571087763.db2.gz OVBCZZJQHRBBIW-KRWDZBQOSA-N 1 0 372.896 4.508 40 0 FJABRO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856713 571088319 /nfs/dbraw/zinc/08/83/19/571088319.db2.gz AUXPFVHMGFJFPV-GOSISDBHSA-N 1 0 354.469 4.800 40 0 FJABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2c3ccccc3ccc21 ZINC000039226993 571088779 /nfs/dbraw/zinc/08/87/79/571088779.db2.gz MTJGVJXDUVJKPI-UHFFFAOYSA-N 1 0 357.453 4.840 40 0 FJABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000044938604 571105235 /nfs/dbraw/zinc/10/52/35/571105235.db2.gz RNMCWTVJZMFUCU-UHFFFAOYSA-N 1 0 368.546 4.958 40 0 FJABRO Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cn3)s2)cc1 ZINC000585262742 571125439 /nfs/dbraw/zinc/12/54/39/571125439.db2.gz BMWIDJDYSOJRGY-AWEZNQCLSA-N 1 0 368.481 4.630 40 0 FJABRO Brc1cccc(-c2nc3cc(C[NH+]4CCCC4)ccc3o2)c1 ZINC000216839081 571149001 /nfs/dbraw/zinc/14/90/01/571149001.db2.gz JURJODJRBLXGMZ-UHFFFAOYSA-N 1 0 357.251 4.853 40 0 FJABRO COc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257299472 571159274 /nfs/dbraw/zinc/15/92/74/571159274.db2.gz RQFAEKLDAGZNSO-HSZRJFAPSA-N 1 0 359.473 4.879 40 0 FJABRO COC(=O)[C@@H]1CCC[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000035402177 571159697 /nfs/dbraw/zinc/15/96/97/571159697.db2.gz SMHHEOSHYIDWJX-QHCPKHFHSA-N 1 0 371.480 4.616 40 0 FJABRO Cc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348812 571180266 /nfs/dbraw/zinc/18/02/66/571180266.db2.gz DAAOXGYLNRULDR-JOCHJYFZSA-N 1 0 357.501 4.755 40 0 FJABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072348841 571180277 /nfs/dbraw/zinc/18/02/77/571180277.db2.gz JEIQMVQNDZMLRO-IBGZPJMESA-N 1 0 359.473 4.532 40 0 FJABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348804 571180327 /nfs/dbraw/zinc/18/03/27/571180327.db2.gz FSJUCEQLSRQFHG-LJQANCHMSA-N 1 0 359.473 4.532 40 0 FJABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348932 571180505 /nfs/dbraw/zinc/18/05/05/571180505.db2.gz KKVSWUGRTVSHIQ-IBGZPJMESA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348857 571180508 /nfs/dbraw/zinc/18/05/08/571180508.db2.gz RAOADBSCKCUAAH-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348856 571180613 /nfs/dbraw/zinc/18/06/13/571180613.db2.gz RAOADBSCKCUAAH-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349964 571181493 /nfs/dbraw/zinc/18/14/93/571181493.db2.gz KKEQGYHYBCVIFP-SFHVURJKSA-N 1 0 366.896 4.515 40 0 FJABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358514 571183602 /nfs/dbraw/zinc/18/36/02/571183602.db2.gz WGKFGWPNSKUWLL-HXUWFJFHSA-N 1 0 361.464 4.705 40 0 FJABRO Clc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359399 571183844 /nfs/dbraw/zinc/18/38/44/571183844.db2.gz KKHADVPISYHYTB-SFHVURJKSA-N 1 0 364.880 4.572 40 0 FJABRO c1csc(Nc2cccc([C@@H]3CCC[N@H+]3CCc3ccccc3)n2)n1 ZINC000072375142 571185780 /nfs/dbraw/zinc/18/57/80/571185780.db2.gz QPMGTRIEMHGROA-SFHVURJKSA-N 1 0 350.491 4.661 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1C ZINC000072376437 571186044 /nfs/dbraw/zinc/18/60/44/571186044.db2.gz GMRXBCYYNSDXSO-OAQYLSRUSA-N 1 0 373.504 4.878 40 0 FJABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072379108 571187784 /nfs/dbraw/zinc/18/77/84/571187784.db2.gz UTWNBOXFMCFVIA-OAQYLSRUSA-N 1 0 360.505 4.599 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000072389932 571189332 /nfs/dbraw/zinc/18/93/32/571189332.db2.gz WNTALCUVSGKXPA-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](CC2CCCCC2)CC3)cc1 ZINC000585100183 571221241 /nfs/dbraw/zinc/22/12/41/571221241.db2.gz HHJRNKLPNPAJOT-DEOSSOPVSA-N 1 0 368.565 4.922 40 0 FJABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](CC2CCCCC2)CC3)cc1 ZINC000585100184 571221304 /nfs/dbraw/zinc/22/13/04/571221304.db2.gz HHJRNKLPNPAJOT-XMMPIXPASA-N 1 0 368.565 4.922 40 0 FJABRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100750 571221939 /nfs/dbraw/zinc/22/19/39/571221939.db2.gz VKVQCNFEORKMQL-HSZRJFAPSA-N 1 0 372.528 4.753 40 0 FJABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1Cc1ccccc1 ZINC000585100867 571222328 /nfs/dbraw/zinc/22/23/28/571222328.db2.gz ZRKPUUVINLJEGZ-QHCPKHFHSA-N 1 0 354.538 4.614 40 0 FJABRO CC1(C)CC(NC(=O)Cc2coc3ccc4ccccc4c23)CC(C)(C)[NH2+]1 ZINC000006763489 571245504 /nfs/dbraw/zinc/24/55/04/571245504.db2.gz IJCINYCYSPVDDD-UHFFFAOYSA-N 1 0 364.489 4.554 40 0 FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+]([C@@H](C)Cc2cccs2)CC1 ZINC000001850106 571249475 /nfs/dbraw/zinc/24/94/75/571249475.db2.gz YPOXDUYRRSUFFG-KRWDZBQOSA-N 1 0 356.535 4.587 40 0 in-man FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1 ZINC000252186451 571291440 /nfs/dbraw/zinc/29/14/40/571291440.db2.gz QXEUMZNBRMQWHN-JPYJTQIMSA-N 1 0 362.517 4.726 40 0 FJABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063478 571302489 /nfs/dbraw/zinc/30/24/89/571302489.db2.gz HCGIYKNOCQKFNT-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1cc([C@H]2CCCCC[N@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120198 571303806 /nfs/dbraw/zinc/30/38/06/571303806.db2.gz OSKRHTGOPLSZQM-CRAIPNDOSA-N 1 0 356.466 4.508 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 ZINC000222799759 222751139 /nfs/dbraw/zinc/75/11/39/222751139.db2.gz QCYJMRAWOQVSBH-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@H+](CC4CC4)C3)c2)sc1C ZINC000257215471 223024394 /nfs/dbraw/zinc/02/43/94/223024394.db2.gz CQGIOKKGDFFRJC-KRWDZBQOSA-N 1 0 356.539 4.796 40 0 FJABRO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169085 209334738 /nfs/dbraw/zinc/33/47/38/209334738.db2.gz ODKXVNZMYZIRNB-AWEZNQCLSA-N 1 0 351.416 4.951 40 0 biogenic,in-vitro FJABRO Clc1ccccc1CN1CCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000096214649 209136802 /nfs/dbraw/zinc/13/68/02/209136802.db2.gz KDUUEEJSPMAZLZ-JOCHJYFZSA-N 1 0 354.925 4.971 40 0 FJABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(C)c2)cc1OC ZINC000013989905 220100419 /nfs/dbraw/zinc/10/04/19/220100419.db2.gz NRVPCSYYHOACAQ-UHFFFAOYSA-N 1 0 362.473 4.610 40 0 FJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019082001 220235451 /nfs/dbraw/zinc/23/54/51/220235451.db2.gz IVVCCNCNMZKVIM-OAQYLSRUSA-N 1 0 371.569 4.577 40 0 FJABRO Cc1cc([C@H]2CCCCC[N@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119371 220235809 /nfs/dbraw/zinc/23/58/09/220235809.db2.gz QKSRVUXJRJEXMU-HNAYVOBHSA-N 1 0 356.466 4.508 40 0 FJABRO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)nc1 ZINC000019215519 220238753 /nfs/dbraw/zinc/23/87/53/220238753.db2.gz HROFPFRIHGCVTD-HRAATJIYSA-N 1 0 364.514 4.849 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccccc4C)CC3)o2)s1 ZINC000019237171 220242963 /nfs/dbraw/zinc/24/29/63/220242963.db2.gz YBODYVPMTYCQST-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000019237576 220243313 /nfs/dbraw/zinc/24/33/13/220243313.db2.gz WIKURSNHYJEFNJ-UHFFFAOYSA-N 1 0 370.500 4.978 40 0 FJABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000019498371 220263240 /nfs/dbraw/zinc/26/32/40/220263240.db2.gz XEOWFFRWHQLOPF-INIZCTEOSA-N 1 0 350.487 4.841 40 0 FJABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019558086 220271424 /nfs/dbraw/zinc/27/14/24/220271424.db2.gz DZDZBOVYVICGQV-OAQYLSRUSA-N 1 0 363.461 4.863 40 0 FJABRO COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3c2CCc2ccccc2-3)cc1 ZINC000000636621 206819162 /nfs/dbraw/zinc/81/91/62/206819162.db2.gz LQRZVJDENGZCSL-UHFFFAOYSA-N 1 0 367.472 4.837 40 0 FJABRO CCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1 ZINC000004823027 207052993 /nfs/dbraw/zinc/05/29/93/207052993.db2.gz VWLPEJSPURQONM-UHFFFAOYSA-O 1 0 371.460 4.796 40 0 in-vitro FJABRO Cc1ccc(C[C@]2(C)[NH2+][C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)C(C)C)nc1 ZINC000005389722 207098602 /nfs/dbraw/zinc/09/86/02/207098602.db2.gz LLQAHZZCUBNWMJ-KEZOAJOQSA-N 1 0 364.533 4.615 40 0 FJABRO CC(C)(C)C[NH2+][C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C ZINC000067889988 207215998 /nfs/dbraw/zinc/21/59/98/207215998.db2.gz LDIJEWYNSOMZOC-UZLBHIALSA-N 1 0 356.510 4.847 40 0 biogenic,in-vitro FJABRO CC(C)c1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012220484 207348701 /nfs/dbraw/zinc/34/87/01/207348701.db2.gz WEGHNNBCDPGEBA-UHFFFAOYSA-N 1 0 362.477 4.635 40 0 FJABRO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 ZINC000038835757 208207245 /nfs/dbraw/zinc/20/72/45/208207245.db2.gz CODTZFPFBJMNDI-HNNXBMFYSA-N 1 0 369.336 4.608 40 0 FJABRO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833814 208205811 /nfs/dbraw/zinc/20/58/11/208205811.db2.gz TVJITKREZZKUPD-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(C)cc1 ZINC000044935736 208321356 /nfs/dbraw/zinc/32/13/56/208321356.db2.gz VMJVPSFFSMJPQT-HSZRJFAPSA-N 1 0 364.533 4.783 40 0 FJABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044933275 208323547 /nfs/dbraw/zinc/32/35/47/208323547.db2.gz OAOCHDCWQUDSPS-SFHVURJKSA-N 1 0 366.505 4.562 40 0 FJABRO Cc1cc(C)n(C2CC[NH+](Cc3ccc4cccc(Cl)c4n3)CC2)n1 ZINC000019658974 220283938 /nfs/dbraw/zinc/28/39/38/220283938.db2.gz PNKROPBKEAMDET-UHFFFAOYSA-N 1 0 354.885 4.539 40 0 FJABRO O=C1[C@@H](C2CC[NH+](Cc3ccccc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695960 220286028 /nfs/dbraw/zinc/28/60/28/220286028.db2.gz XWZQZZKOELBRBO-XMMPIXPASA-N 1 0 374.528 4.504 40 0 FJABRO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020481278 220329284 /nfs/dbraw/zinc/32/92/84/220329284.db2.gz VBYMMIUNBAHRQX-HNNXBMFYSA-N 1 0 372.896 4.833 40 0 FJABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000035292363 220776550 /nfs/dbraw/zinc/77/65/50/220776550.db2.gz ASINGMBUBPAYSM-JLYLLQBASA-N 1 0 357.567 4.610 40 0 FJABRO Fc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000057731823 221092772 /nfs/dbraw/zinc/09/27/72/221092772.db2.gz SVFQQPZSZOXLGQ-STZQEDGTSA-N 1 0 370.899 4.891 40 0 FJABRO O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccoc1C[NH+]1CCCCC1 ZINC000072346508 221473939 /nfs/dbraw/zinc/47/39/39/221473939.db2.gz XGYUWTGECMRGPB-UHFFFAOYSA-N 1 0 370.468 4.604 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3cccc(F)c3)CC2)o1 ZINC000072389934 221491272 /nfs/dbraw/zinc/49/12/72/221491272.db2.gz QIUXGSUYPODMLV-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1cccs1 ZINC000008472358 263355156 /nfs/dbraw/zinc/35/51/56/263355156.db2.gz FXDPYDPLYUQZLL-UHFFFAOYSA-N 1 0 353.487 4.668 40 0 FJABRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000022107375 263384967 /nfs/dbraw/zinc/38/49/67/263384967.db2.gz ITAYADLKRQMDPZ-LHSJRXKWSA-N 1 0 371.864 4.820 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039752533 263399372 /nfs/dbraw/zinc/39/93/72/263399372.db2.gz CKOKWHDARFPFPL-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO COc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)cc1 ZINC000257264888 533809152 /nfs/dbraw/zinc/80/91/52/533809152.db2.gz LWKBGBIOLKYXEO-DEOSSOPVSA-N 1 0 373.500 4.803 40 0 FJABRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257242789 526428526 /nfs/dbraw/zinc/42/85/26/526428526.db2.gz IEDDTNADODFDPJ-PYRYHMDCSA-N 1 0 370.537 4.528 40 0 FJABRO c1ccc(O[C@H]2COCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000077265826 560046377 /nfs/dbraw/zinc/04/63/77/560046377.db2.gz WLUVZVKEQIMZIY-XMMPIXPASA-N 1 0 359.469 4.633 40 0 biogenic,in-vitro FJABRO CC1=C[C@@H](C[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)cnc2[nH]1 ZINC000077262116 560046757 /nfs/dbraw/zinc/04/67/57/560046757.db2.gz UCPYZDLSTNJXDN-ZOBUZTSGSA-N 1 0 360.933 4.570 40 0 biogenic,in-vitro FJABRO CC1=C[C@@H](C[NH2+]C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882777 560089641 /nfs/dbraw/zinc/08/96/41/560089641.db2.gz IMJHNKFEPDPMLF-ZJOUEHCJSA-N 1 0 365.521 4.886 40 0 biogenic,in-vitro FJABRO CC[NH+](CC)CCCN(c1ccccc1)[C@H]1Cc2ccccc2[C@H]1OC ZINC000212540778 567836930 /nfs/dbraw/zinc/83/69/30/567836930.db2.gz QQGGXAOUSKREAE-XZOQPEGZSA-N 1 0 352.522 4.537 40 0 FJABRO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000215769569 568087922 /nfs/dbraw/zinc/08/79/22/568087922.db2.gz QZFMCYUBPSLOBP-UHFFFAOYSA-N 1 0 368.496 4.666 40 0 in-vitro FJABRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000222855768 568572691 /nfs/dbraw/zinc/57/26/91/568572691.db2.gz QLJIAGZEMSMNJF-UHFFFAOYSA-N 1 0 358.485 4.756 40 0 FJABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000223469502 568659307 /nfs/dbraw/zinc/65/93/07/568659307.db2.gz AFZWNSJKKWETDI-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260834 570480452 /nfs/dbraw/zinc/48/04/52/570480452.db2.gz KUQMHAPVVFSMBA-FQEVSTJZSA-N 1 0 373.460 4.567 40 0 FJABRO CC1(C)CCC([NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 ZINC000585281653 570491701 /nfs/dbraw/zinc/49/17/01/570491701.db2.gz NYUBHCKPWQELJP-UHFFFAOYSA-N 1 0 351.918 4.515 40 0 FJABRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000001688499 570504534 /nfs/dbraw/zinc/50/45/34/570504534.db2.gz UQNYLRPFZWLLMC-RBUKOAKNSA-N 1 0 361.407 4.545 40 0 FJABRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Br)ccc21 ZINC000001700320 570505028 /nfs/dbraw/zinc/50/50/28/570505028.db2.gz GDCDHNUYXXZRKA-AWEZNQCLSA-N 1 0 364.331 4.920 40 0 FJABRO C[N@@H+]1CCCCCC[C@@H]1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001746973 570506249 /nfs/dbraw/zinc/50/62/49/570506249.db2.gz JFCAIPHAGUDUPW-OAQYLSRUSA-N 1 0 351.490 4.626 40 0 FJABRO CC[NH+](CC)CCCN(c1ccccc1)[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000001846361 570508645 /nfs/dbraw/zinc/50/86/45/570508645.db2.gz QQGGXAOUSKREAE-PKTZIBPZSA-N 1 0 352.522 4.537 40 0 in-man FJABRO C[C@H]([NH2+]CC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 ZINC000001844848 570508664 /nfs/dbraw/zinc/50/86/64/570508664.db2.gz JQSHEDRVRBSFCZ-MGPUTAFESA-N 1 0 355.528 4.953 40 0 in-man FJABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215459 570531476 /nfs/dbraw/zinc/53/14/76/570531476.db2.gz SCTBZBKHFKTOHC-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215554 570532022 /nfs/dbraw/zinc/53/20/22/570532022.db2.gz AFVWEOWOMMLZSH-SFHVURJKSA-N 1 0 359.514 4.923 40 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/nfs/dbraw/zinc/58/22/11/570582211.db2.gz PFEMAEAEHPLAJH-JOCHJYFZSA-N 1 0 370.496 4.503 40 0 FJABRO CC[NH+](CC)CC1(CC)COC(c2ccccc2)(c2ccccc2)OC1 ZINC000004791836 570606705 /nfs/dbraw/zinc/60/67/05/570606705.db2.gz UNIGJZQIOYNVPC-UHFFFAOYSA-N 1 0 353.506 4.673 40 0 FJABRO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCC[N@H+](CC2)[C@@H]31 ZINC000005554556 570630724 /nfs/dbraw/zinc/63/07/24/570630724.db2.gz JSWHPWDJHXROFD-OYHNWAKOSA-N 1 0 360.457 4.642 40 0 FJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 ZINC000035290321 570636114 /nfs/dbraw/zinc/63/61/14/570636114.db2.gz UJWHDFJSWJBSFF-FRIKZZABSA-N 1 0 362.517 4.619 40 0 FJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 ZINC000004886527 570672641 /nfs/dbraw/zinc/67/26/41/570672641.db2.gz KUJRHWASKJBAED-AYHJJNSGSA-N 1 0 365.974 4.668 40 0 FJABRO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000008215417 570678705 /nfs/dbraw/zinc/67/87/05/570678705.db2.gz ZASIBLYYAMZOHZ-UHFFFAOYSA-N 1 0 372.365 4.641 40 0 FJABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O ZINC000408725974 570679432 /nfs/dbraw/zinc/67/94/32/570679432.db2.gz OHQDARXZSURSKY-NBVRZTHBSA-N 1 0 360.523 4.891 40 0 FJABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000012241128 570730864 /nfs/dbraw/zinc/73/08/64/570730864.db2.gz PLMCTBRIZVVAKB-MRXNPFEDSA-N 1 0 350.487 4.841 40 0 FJABRO O=C1CCCN1c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000012361782 570738797 /nfs/dbraw/zinc/73/87/97/570738797.db2.gz VNLHHVKMDYLBDC-UHFFFAOYSA-N 1 0 354.881 4.636 40 0 FJABRO Cc1cc2nc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226823 570775586 /nfs/dbraw/zinc/77/55/86/570775586.db2.gz XVASHKJSVAUYCK-CQSZACIVSA-N 1 0 366.431 4.569 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000006949636 570785996 /nfs/dbraw/zinc/78/59/96/570785996.db2.gz SONDUIYCIOPHJQ-UHFFFAOYSA-N 1 0 360.885 4.508 40 0 FJABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000019496085 570890168 /nfs/dbraw/zinc/89/01/68/570890168.db2.gz 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CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768304 571024013 /nfs/dbraw/zinc/02/40/13/571024013.db2.gz ZWWVVVVHEMDTOS-UHFFFAOYSA-N 1 0 354.469 4.547 40 0 FJABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039757391 571025450 /nfs/dbraw/zinc/02/54/50/571025450.db2.gz WTMALVVDOYEQHP-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220440 571028038 /nfs/dbraw/zinc/02/80/38/571028038.db2.gz OMQNMTDKAPLOMB-IBGZPJMESA-N 1 0 360.929 4.559 40 0 FJABRO CC1(C)CC(N(Cc2cccc(F)c2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740489 571081394 /nfs/dbraw/zinc/08/13/94/571081394.db2.gz YSWCIAYYLBRVKB-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO CC1(C)CC(N(Cc2cccnc2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000036740470 571081573 /nfs/dbraw/zinc/08/15/73/571081573.db2.gz GTQKMVKCXFWBAM-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833866 571087320 /nfs/dbraw/zinc/08/73/20/571087320.db2.gz 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CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000044935742 571105187 /nfs/dbraw/zinc/10/51/87/571105187.db2.gz UOEGNSMLRGINRK-HSZRJFAPSA-N 1 0 364.533 4.783 40 0 FJABRO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000040413634 571140612 /nfs/dbraw/zinc/14/06/12/571140612.db2.gz VEFQGLMERPXJLP-LJQANCHMSA-N 1 0 364.533 4.670 40 0 FJABRO Fc1cccc(-c2cnc(-c3ccncc3)c(C[NH2+]Cc3ccncc3)c2)c1 ZINC000072343218 571179731 /nfs/dbraw/zinc/17/97/31/571179731.db2.gz HYVLLKRXLQLDDR-UHFFFAOYSA-N 1 0 370.431 4.635 40 0 FJABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cc1 ZINC000072348537 571179967 /nfs/dbraw/zinc/17/99/67/571179967.db2.gz SDKVGFRRCZJEQO-HXUWFJFHSA-N 1 0 350.506 4.753 40 0 FJABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348851 571180253 /nfs/dbraw/zinc/18/02/53/571180253.db2.gz BOJHKYAKSKMSBT-QFIPXVFZSA-N 1 0 357.501 4.755 40 0 FJABRO Fc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072348814 571180269 /nfs/dbraw/zinc/18/02/69/571180269.db2.gz WVBVSTFTLJPCFA-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072348815 571180291 /nfs/dbraw/zinc/18/02/91/571180291.db2.gz JUZXULJNRYNZIV-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072348941 571180570 /nfs/dbraw/zinc/18/05/70/571180570.db2.gz XULSEWSKMHLJJM-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348859 571180581 /nfs/dbraw/zinc/18/05/81/571180581.db2.gz KFGVDMXOURLCTK-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349965 571181337 /nfs/dbraw/zinc/18/13/37/571181337.db2.gz KKEQGYHYBCVIFP-GOSISDBHSA-N 1 0 366.896 4.515 40 0 FJABRO Clc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358582 571183577 /nfs/dbraw/zinc/18/35/77/571183577.db2.gz JTBQRKKTDAUNPS-SFHVURJKSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1cnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072359927 571184127 /nfs/dbraw/zinc/18/41/27/571184127.db2.gz DTWPXMSYYIBMRD-GOSISDBHSA-N 1 0 365.506 4.631 40 0 FJABRO Cc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369989 571184969 /nfs/dbraw/zinc/18/49/69/571184969.db2.gz JJIILQKHALFITJ-LJQANCHMSA-N 1 0 370.456 4.583 40 0 FJABRO Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072370042 571185117 /nfs/dbraw/zinc/18/51/17/571185117.db2.gz LPBUZELZPOMTRU-JOCHJYFZSA-N 1 0 364.468 4.657 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379074 571187274 /nfs/dbraw/zinc/18/72/74/571187274.db2.gz AZHMFIVJABZGPM-HXUWFJFHSA-N 1 0 364.468 4.867 40 0 FJABRO CCC[N@@H+]1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 ZINC000306129144 571213608 /nfs/dbraw/zinc/21/36/08/571213608.db2.gz HVRMBGCKDGCSBG-NOZRDPDXSA-N 1 0 371.528 4.919 40 0 FJABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000004892008 571213696 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Cc1ccccc1C[NH+]1CCC(c2cncc(Nc3ncccc3C)n2)CC1 ZINC000257233898 223030736 /nfs/dbraw/zinc/03/07/36/223030736.db2.gz GRFOAARAYYODMM-UHFFFAOYSA-N 1 0 373.504 4.612 40 0 FJABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244043 223034572 /nfs/dbraw/zinc/03/45/72/223034572.db2.gz IJPOTLFUYYOACM-FQEVSTJZSA-N 1 0 373.460 4.567 40 0 FJABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257321954 223064676 /nfs/dbraw/zinc/06/46/76/223064676.db2.gz WEBHFOLIZHNEOU-GOSISDBHSA-N 1 0 370.456 4.583 40 0 FJABRO COc1ccccc1OCC[N@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000019124930 220237892 /nfs/dbraw/zinc/23/78/92/220237892.db2.gz JSHGRSKMLODIJJ-UHFFFAOYSA-N 1 0 367.493 4.514 40 0 FJABRO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC ZINC000019215477 220238583 /nfs/dbraw/zinc/23/85/83/220238583.db2.gz FAUGEYXLLXCORY-IBGZPJMESA-N 1 0 368.502 4.542 40 0 FJABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccncc1C)CC2 ZINC000019239531 220243516 /nfs/dbraw/zinc/24/35/16/220243516.db2.gz JZBCRFNHIGSIIL-XMMPIXPASA-N 1 0 374.484 4.555 40 0 FJABRO CN(C)c1nc2ccccc2cc1C[NH2+]C1(c2ccccc2F)CCCC1 ZINC000019584095 220276270 /nfs/dbraw/zinc/27/62/70/220276270.db2.gz SRDXKQRCQKGQIF-UHFFFAOYSA-N 1 0 363.480 4.999 40 0 FJABRO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@H]1CCC[N@H+](CC2)[C@@H]31 ZINC000005554553 207105320 /nfs/dbraw/zinc/10/53/20/207105320.db2.gz JSWHPWDJHXROFD-IVZQSRNASA-N 1 0 360.457 4.642 40 0 FJABRO COC(=O)[C@H]1CCC[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005605964 207107339 /nfs/dbraw/zinc/10/73/39/207107339.db2.gz SMHHEOSHYIDWJX-HSZRJFAPSA-N 1 0 371.480 4.616 40 0 FJABRO Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289195 207114089 /nfs/dbraw/zinc/11/40/89/207114089.db2.gz WUCHSFKSBYUPMG-SEJPIABJSA-N 1 0 363.505 4.702 40 0 FJABRO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000012088739 207337301 /nfs/dbraw/zinc/33/73/01/207337301.db2.gz FWXMGJMKVHEDCI-OAQYLSRUSA-N 1 0 363.461 4.863 40 0 FJABRO CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000030757157 208003917 /nfs/dbraw/zinc/00/39/17/208003917.db2.gz RESYEFQNAPPDOA-UHFFFAOYSA-N 1 0 352.478 4.570 40 0 FJABRO CC1(C)CC(N(Cc2cccnc2)Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000036740521 208170539 /nfs/dbraw/zinc/17/05/39/208170539.db2.gz HETZAZNBHGLMED-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000036740458 208171964 /nfs/dbraw/zinc/17/19/64/208171964.db2.gz YVOSKCJVBOLONE-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849513 208209117 /nfs/dbraw/zinc/20/91/17/208209117.db2.gz XYKMIDWYWHQLQA-INIZCTEOSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1C ZINC000038835182 208205369 /nfs/dbraw/zinc/20/53/69/208205369.db2.gz WCXDSZABORURRW-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ncc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715798 220289985 /nfs/dbraw/zinc/28/99/85/220289985.db2.gz SSUFKWBBKPVXKR-INIZCTEOSA-N 1 0 354.523 4.762 40 0 FJABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019790303 220295617 /nfs/dbraw/zinc/29/56/17/220295617.db2.gz ULGPPVIOBMVUAF-QZJVIJNSSA-N 1 0 350.550 4.543 40 0 FJABRO COc1cccc(-c2cncc(C3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000072359262 208839514 /nfs/dbraw/zinc/83/95/14/208839514.db2.gz ORAYPAOZHFTBCV-UHFFFAOYSA-N 1 0 351.494 4.664 40 0 FJABRO Cc1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc(C)c1OCc1ccccc1 ZINC000095095411 209021442 /nfs/dbraw/zinc/02/14/42/209021442.db2.gz QQFQAYIPMIKJGS-IBGZPJMESA-N 1 0 363.461 4.747 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)cc1C ZINC000044856711 220961762 /nfs/dbraw/zinc/96/17/62/220961762.db2.gz YAYLFGMUFSMCAE-QFIPXVFZSA-N 1 0 350.506 4.780 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000044856347 220962628 /nfs/dbraw/zinc/96/26/28/220962628.db2.gz FVLUFAZHHVJJMJ-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO C[C@@H]1CC2=C(C[C@@H]1[C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944159 221049458 /nfs/dbraw/zinc/04/94/58/221049458.db2.gz KCELIKSTAFGHFD-FRIZHTMISA-N 1 0 363.509 4.637 40 0 FJABRO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328973130 132372016 /nfs/dbraw/zinc/37/20/16/132372016.db2.gz DYZNEYLRKUUODR-UHFFFAOYSA-N 1 0 364.880 4.613 40 0 FJABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CCCCC2)[nH+]1 ZINC000328995811 132372251 /nfs/dbraw/zinc/37/22/51/132372251.db2.gz JIJSALBQPKCSHV-MRXNPFEDSA-N 1 0 350.510 4.735 40 0 FJABRO CC(C)c1nc(N2CCc3ccccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329067189 132373285 /nfs/dbraw/zinc/37/32/85/132373285.db2.gz YFRQDRDYMBDOAF-UHFFFAOYSA-N 1 0 358.489 4.775 40 0 FJABRO c1csc(C[NH+]2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)n1 ZINC000096052552 222002793 /nfs/dbraw/zinc/00/27/93/222002793.db2.gz ZYZGIIDYPSLCDQ-UHFFFAOYSA-N 1 0 350.487 4.883 40 0 FJABRO CC(C)C(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071047 222012784 /nfs/dbraw/zinc/01/27/84/222012784.db2.gz WPHMVSZTCBYAIT-DEOSSOPVSA-N 1 0 362.517 4.577 40 0 FJABRO COc1ccccc1[C@@H](CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccco1 ZINC000103458781 222337094 /nfs/dbraw/zinc/33/70/94/222337094.db2.gz ADZJVPMVUQQIJT-JUXOCIIHSA-N 1 0 357.494 4.603 40 0 FJABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1cccs1 ZINC000007523894 263351821 /nfs/dbraw/zinc/35/18/21/263351821.db2.gz GVQAWGHYKLXRMG-UHFFFAOYSA-N 1 0 371.477 4.807 40 0 FJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022107491 263384733 /nfs/dbraw/zinc/38/47/33/263384733.db2.gz OKUWGZIGRPNPRP-ZUOKHONESA-N 1 0 359.828 4.951 40 0 FJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022107496 263384741 /nfs/dbraw/zinc/38/47/41/263384741.db2.gz OKUWGZIGRPNPRP-RNODOKPDSA-N 1 0 359.828 4.951 40 0 FJABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039743311 263399232 /nfs/dbraw/zinc/39/92/32/263399232.db2.gz QYRHRESLSGFFLD-UHFFFAOYSA-N 1 0 354.469 4.800 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000039748665 263399509 /nfs/dbraw/zinc/39/95/09/263399509.db2.gz YDKHFYZTILIRBB-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039751424 263399737 /nfs/dbraw/zinc/39/97/37/263399737.db2.gz HNWZVRGTTPJMSY-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)[NH3+])[C@@]4(C)CC[C@@H]32)C1 ZINC000118928622 263453715 /nfs/dbraw/zinc/45/37/15/263453715.db2.gz VJYVCSBIXCOHFV-KKYFFNGPSA-N 1 0 361.570 4.924 40 0 FJABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020460294 519780979 /nfs/dbraw/zinc/78/09/79/519780979.db2.gz VJBAIYKFOZFDOZ-GOSISDBHSA-N 1 0 366.505 4.958 40 0 FJABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CN(Cc1cccs1)Cc1cccs1 ZINC000020462723 523322429 /nfs/dbraw/zinc/32/24/29/523322429.db2.gz MYOIPDGUFFUSBD-OKZBNKHCSA-N 1 0 360.592 4.932 40 0 biogenic,in-vitro FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 ZINC000020454218 524093165 /nfs/dbraw/zinc/09/31/65/524093165.db2.gz OOVIWOAMJYNTMF-INIZCTEOSA-N 1 0 356.897 4.502 40 0 FJABRO Cc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020461128 524350785 /nfs/dbraw/zinc/35/07/85/524350785.db2.gz WGZLFZUBFWUXCN-UHFFFAOYSA-N 1 0 364.533 4.590 40 0 FJABRO CCC[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2nc1Cl ZINC000257315337 528516825 /nfs/dbraw/zinc/51/68/25/528516825.db2.gz VAWGFEUAJXSZJX-UHFFFAOYSA-N 1 0 356.901 4.871 40 0 FJABRO CC(C)COc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000025809825 560090997 /nfs/dbraw/zinc/09/09/97/560090997.db2.gz TVPOHZDOAWMQLL-RXVVDRJESA-N 1 0 359.510 4.533 40 0 biogenic,in-vitro FJABRO O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000008296305 560208079 /nfs/dbraw/zinc/20/80/79/560208079.db2.gz KUOMUUIITQYKJB-FUHWJXTLSA-N 1 0 368.546 4.577 40 0 biogenic,in-vitro FJABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000223315303 568638858 /nfs/dbraw/zinc/63/88/58/568638858.db2.gz PDSNBSXUHKKPNO-LJQANCHMSA-N 1 0 364.533 4.647 40 0 FJABRO O=C(NCC1CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223416609 568652761 /nfs/dbraw/zinc/65/27/61/568652761.db2.gz OMMJCXREOXIBCY-UHFFFAOYSA-N 1 0 362.517 4.555 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)CC1 ZINC000223584403 568672888 /nfs/dbraw/zinc/67/28/88/568672888.db2.gz CBOSXDVKCXIUEI-UHFFFAOYSA-N 1 0 364.533 4.670 40 0 FJABRO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000585260824 570479937 /nfs/dbraw/zinc/47/99/37/570479937.db2.gz MWRWDDUGOYJGON-NRFANRHFSA-N 1 0 373.460 4.567 40 0 FJABRO O[C@@H](c1cc(-c2cccc(Cl)c2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001596774 570502565 /nfs/dbraw/zinc/50/25/65/570502565.db2.gz RFNVOGZLEKVTMA-CTNGQTDRSA-N 1 0 352.865 4.731 40 0 FJABRO O[C@H](c1cc(-c2ccccc2)nc2ccc(Cl)cc21)[C@H]1CCCC[NH2+]1 ZINC000001683267 570504322 /nfs/dbraw/zinc/50/43/22/570504322.db2.gz YVTAGCVIOXWKOW-TZIWHRDSSA-N 1 0 352.865 4.731 40 0 FJABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935707 570539081 /nfs/dbraw/zinc/53/90/81/570539081.db2.gz QPKWTDWYEPBHIU-RBBKRZOGSA-N 1 0 368.496 4.614 40 0 FJABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933997 570539244 /nfs/dbraw/zinc/53/92/44/570539244.db2.gz VMPBYCBCKDQCOV-YJBOKZPZSA-N 1 0 374.887 4.569 40 0 FJABRO OCc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000072348542 570546174 /nfs/dbraw/zinc/54/61/74/570546174.db2.gz WPLCXVSYRNPXHX-JOCHJYFZSA-N 1 0 358.485 4.621 40 0 FJABRO CCCCOc1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000004422597 570590713 /nfs/dbraw/zinc/59/07/13/570590713.db2.gz HZNWJHUBKIPJHL-UHFFFAOYSA-N 1 0 356.510 4.780 40 0 FJABRO C[C@H](C[NH2+]C1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000005047608 570619244 /nfs/dbraw/zinc/61/92/44/570619244.db2.gz QIPMPDREAVIMPZ-GOSISDBHSA-N 1 0 351.490 4.673 40 0 FJABRO O[C@@H](c1ccccc1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000006575022 570649634 /nfs/dbraw/zinc/64/96/34/570649634.db2.gz MFMTVBIVRHGAJC-DEOSSOPVSA-N 1 0 357.497 4.954 40 0 FJABRO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004883258 570672231 /nfs/dbraw/zinc/67/22/31/570672231.db2.gz VPDDYYRSEVJSKU-AYHJJNSGSA-N 1 0 373.497 4.594 40 0 FJABRO COc1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625622 570679832 /nfs/dbraw/zinc/67/98/32/570679832.db2.gz IJRSEIDLNQDTRP-UHFFFAOYSA-N 1 0 355.869 4.605 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000036092678 570693580 /nfs/dbraw/zinc/69/35/80/570693580.db2.gz RJQBZQVPLDKKEY-AVRDEDQJSA-N 1 0 350.506 4.800 40 0 FJABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)on2)cc1 ZINC000012120298 570720888 /nfs/dbraw/zinc/72/08/88/570720888.db2.gz DBRFBDGGQNCFGX-NRFANRHFSA-N 1 0 363.461 4.863 40 0 FJABRO CCCCOc1cccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000006652144 570784280 /nfs/dbraw/zinc/78/42/80/570784280.db2.gz ZICTURFUYKICOH-UHFFFAOYSA-N 1 0 354.494 4.960 40 0 FJABRO CCCCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000006592700 570784366 /nfs/dbraw/zinc/78/43/66/570784366.db2.gz PJVMMDJBCNLHAQ-UHFFFAOYSA-N 1 0 352.478 4.714 40 0 FJABRO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000010111268 570801021 /nfs/dbraw/zinc/80/10/21/570801021.db2.gz HKBPTQUZEDNMJE-UHFFFAOYSA-N 1 0 350.462 4.582 40 0 FJABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000010276959 570802140 /nfs/dbraw/zinc/80/21/40/570802140.db2.gz SEAZREMZEQNFNI-UHFFFAOYSA-N 1 0 368.546 4.585 40 0 FJABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010332275 570832583 /nfs/dbraw/zinc/83/25/83/570832583.db2.gz QPYZMLGYJZWRQI-UHFFFAOYSA-N 1 0 352.478 4.712 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856340 570867931 /nfs/dbraw/zinc/86/79/31/570867931.db2.gz VGIYDNIGQNEADS-RXVVDRJESA-N 1 0 368.496 4.532 40 0 FJABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934020 570867946 /nfs/dbraw/zinc/86/79/46/570867946.db2.gz HCANGIHHYOOZER-YJBOKZPZSA-N 1 0 374.887 4.569 40 0 FJABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934023 570867964 /nfs/dbraw/zinc/86/79/64/570867964.db2.gz HCANGIHHYOOZER-QAPCUYQASA-N 1 0 374.887 4.569 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000020046910 570879597 /nfs/dbraw/zinc/87/95/97/570879597.db2.gz VLLIYTVYPXHALX-IRXDYDNUSA-N 1 0 354.469 4.549 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3cccc(C)c3)CC2)o1 ZINC000019234952 570883102 /nfs/dbraw/zinc/88/31/02/570883102.db2.gz CWMZHZIFRJCPSV-UHFFFAOYSA-N 1 0 353.491 4.795 40 0 FJABRO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)CC2CCCCC2)cc1 ZINC000019336210 570886206 /nfs/dbraw/zinc/88/62/06/570886206.db2.gz HUJITOPTMOWIIP-XZOQPEGZSA-N 1 0 368.496 4.786 40 0 FJABRO Clc1ccc(C2(C[NH+](Cc3cccnc3)Cc3cccnc3)CC2)cc1 ZINC000019338706 570886401 /nfs/dbraw/zinc/88/64/01/570886401.db2.gz OYVOBPLOHGMBAE-UHFFFAOYSA-N 1 0 363.892 4.864 40 0 FJABRO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532484 570992395 /nfs/dbraw/zinc/99/23/95/570992395.db2.gz HEVMLTVGKRSBKS-QGZVFWFLSA-N 1 0 364.961 4.885 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224805808 571001326 /nfs/dbraw/zinc/00/13/26/571001326.db2.gz COHSKJMOOTZHRX-UHFFFAOYSA-N 1 0 364.533 4.900 40 0 FJABRO c1cc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134600 571038945 /nfs/dbraw/zinc/03/89/45/571038945.db2.gz NTGPSMZHEIIJES-LJQANCHMSA-N 1 0 360.486 4.795 40 0 FJABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225596950 571048230 /nfs/dbraw/zinc/04/82/30/571048230.db2.gz DAXQZTJSXTZCFM-QZTJIDSGSA-N 1 0 358.526 4.562 40 0 FJABRO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030945381 571053133 /nfs/dbraw/zinc/05/31/33/571053133.db2.gz SSAYPDYFGVYSCS-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO C[N@@H+]1CCc2ccccc2[C@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938933 571056560 /nfs/dbraw/zinc/05/65/60/571056560.db2.gz GWIOQTCSMPBYMC-XMMPIXPASA-N 1 0 358.485 4.620 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000038771601 571086547 /nfs/dbraw/zinc/08/65/47/571086547.db2.gz UCSMGGQRCOVYRA-TVGZPFHWSA-N 1 0 366.549 4.617 40 0 FJABRO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833522 571087054 /nfs/dbraw/zinc/08/70/54/571087054.db2.gz AYMHZBSIZJSNHI-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000260808260 571123552 /nfs/dbraw/zinc/12/35/52/571123552.db2.gz HZZQAQSUADGSQR-PMACEKPBSA-N 1 0 374.569 4.657 40 0 FJABRO Fc1cccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)c1 ZINC000257298971 571159308 /nfs/dbraw/zinc/15/93/08/571159308.db2.gz RODIEXREHJLNOY-HSZRJFAPSA-N 1 0 361.464 4.934 40 0 FJABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348842 571180156 /nfs/dbraw/zinc/18/01/56/571180156.db2.gz GXDYPEKTNDEOIE-HXUWFJFHSA-N 1 0 359.473 4.532 40 0 FJABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348806 571180242 /nfs/dbraw/zinc/18/02/42/571180242.db2.gz PKQRDXMJEWTRQN-HXUWFJFHSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccccc1Cc1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072348852 571180271 /nfs/dbraw/zinc/18/02/71/571180271.db2.gz YBDDXCALQATZOA-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348819 571180347 /nfs/dbraw/zinc/18/03/47/571180347.db2.gz MBVYXOCYROPMRH-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1cccc(Cc2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000072348947 571180677 /nfs/dbraw/zinc/18/06/77/571180677.db2.gz OMKJFUXGICPDET-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072358350 571183507 /nfs/dbraw/zinc/18/35/07/571183507.db2.gz OCGAJTNBGDKYBB-LJQANCHMSA-N 1 0 359.473 4.532 40 0 FJABRO Clc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359406 571184111 /nfs/dbraw/zinc/18/41/11/571184111.db2.gz OTPHLUHBQKVFDB-SFHVURJKSA-N 1 0 364.880 4.572 40 0 FJABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000072369941 571185114 /nfs/dbraw/zinc/18/51/14/571185114.db2.gz OTGWGOKLQZVOLD-MRXNPFEDSA-N 1 0 353.853 4.688 40 0 FJABRO Cc1nnc(Nc2cccc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)n2)s1 ZINC000072376182 571185797 /nfs/dbraw/zinc/18/57/97/571185797.db2.gz NMARUWCPYUILIL-MRXNPFEDSA-N 1 0 369.538 4.521 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379092 571187698 /nfs/dbraw/zinc/18/76/98/571187698.db2.gz UIXFWAQRGTULBJ-FQEVSTJZSA-N 1 0 360.505 4.770 40 0 FJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390034 571189619 /nfs/dbraw/zinc/18/96/19/571189619.db2.gz AOKLXMXIVVYTDV-LJQANCHMSA-N 1 0 362.477 4.635 40 0 FJABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257288611 571205954 /nfs/dbraw/zinc/20/59/54/571205954.db2.gz PUXUBPSPQPJCSC-TXTKFYIRSA-N 1 0 371.569 4.577 40 0 FJABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000252207652 571291470 /nfs/dbraw/zinc/29/14/70/571291470.db2.gz VLLIYTVYPXHALX-DLBZAZTESA-N 1 0 354.469 4.549 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062925 571302399 /nfs/dbraw/zinc/30/23/99/571302399.db2.gz IOEXIBLNLLNKKW-UHFFFAOYSA-N 1 0 364.533 4.971 40 0 FJABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063577 571302690 /nfs/dbraw/zinc/30/26/90/571302690.db2.gz UTOIVPUSFPKDCG-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)[nH]n2)cc1 ZINC000019743199 571327205 /nfs/dbraw/zinc/32/72/05/571327205.db2.gz FWHQUNQCWJUQRQ-QFIPXVFZSA-N 1 0 365.452 4.507 40 0 FJABRO c1coc(CN2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000002735045 571340696 /nfs/dbraw/zinc/34/06/96/571340696.db2.gz DYFGDINDZPITID-UHFFFAOYSA-N 1 0 374.528 4.989 40 0 FJABRO CC(C)[NH+]1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000000537935 219305038 /nfs/dbraw/zinc/30/50/38/219305038.db2.gz XHOJAWVAWFHGHL-UHFFFAOYSA-N 1 0 370.924 4.789 40 0 world FJABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)Nc1ccc(Cl)cc1 ZINC000224695487 222818510 /nfs/dbraw/zinc/81/85/10/222818510.db2.gz AZZOGWPDOXYWTN-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228476 223028943 /nfs/dbraw/zinc/02/89/43/223028943.db2.gz FUAPRVVZKLARCY-HXUWFJFHSA-N 1 0 373.504 4.612 40 0 FJABRO CC[n+]1cc(Br)cc(-c2nc3c(cccc3Cl)s2)c1 ZINC000226776890 209368002 /nfs/dbraw/zinc/36/80/02/209368002.db2.gz MFBACHJHKCWTRJ-UHFFFAOYSA-N 1 0 354.680 4.687 40 0 FJABRO O=C(NCC[NH+]1CCCCCC1)c1ccccc1SCc1ccccc1 ZINC000013679933 220084005 /nfs/dbraw/zinc/08/40/05/220084005.db2.gz FBCZAPIWSMBPHE-UHFFFAOYSA-N 1 0 368.546 4.585 40 0 FJABRO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1cc2c(cc1C)OCO2 ZINC000019237637 220243219 /nfs/dbraw/zinc/24/32/19/220243219.db2.gz HXFCKPMELWZXIW-GOSISDBHSA-N 1 0 366.486 4.562 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000019238731 220243957 /nfs/dbraw/zinc/24/39/57/220243957.db2.gz RALSSZYSTLXKFN-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000019498367 220263499 /nfs/dbraw/zinc/26/34/99/220263499.db2.gz ZBUWOMBQAVWIHY-INIZCTEOSA-N 1 0 350.487 4.841 40 0 FJABRO CC[n+]1cnc(N)c2c(-c3ccc(Cl)cc3)cn(-c3ccc(C)cc3)c21 ZINC000001642243 206891388 /nfs/dbraw/zinc/89/13/88/206891388.db2.gz OBGNNIPYXMQLRW-UHFFFAOYSA-O 1 0 363.872 4.544 40 0 FJABRO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000004883186 207058790 /nfs/dbraw/zinc/05/87/90/207058790.db2.gz XXVGWFVZUKVJCY-YQQQUEKLSA-N 1 0 369.534 4.764 40 0 FJABRO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]21 ZINC000009356585 207268107 /nfs/dbraw/zinc/26/81/07/207268107.db2.gz ORYWHTWXSGORLG-BPHWJHEYSA-N 1 0 371.521 4.505 40 0 FJABRO CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000012200532 207347421 /nfs/dbraw/zinc/34/74/21/207347421.db2.gz QMQWRPPDAYMXEB-HXUWFJFHSA-N 1 0 374.525 4.613 40 0 FJABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000019451510 207671158 /nfs/dbraw/zinc/67/11/58/207671158.db2.gz WIBBMXRCQGSJTE-UHFFFAOYSA-N 1 0 363.505 4.868 40 0 FJABRO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849512 208207462 /nfs/dbraw/zinc/20/74/62/208207462.db2.gz XYKMIDWYWHQLQA-MRXNPFEDSA-N 1 0 360.860 4.638 40 0 FJABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834685 208204908 /nfs/dbraw/zinc/20/49/08/208204908.db2.gz GSDRKUAKNAIHIF-INIZCTEOSA-N 1 0 362.395 4.556 40 0 FJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)c(F)c2)s1 ZINC000043277874 208305943 /nfs/dbraw/zinc/30/59/43/208305943.db2.gz FUUNLLKLLUTHDS-UHFFFAOYSA-N 1 0 361.461 4.624 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000044856351 208320164 /nfs/dbraw/zinc/32/01/64/208320164.db2.gz MAIRXFWYQHPQOP-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856553 208320710 /nfs/dbraw/zinc/32/07/10/208320710.db2.gz YCUOZQKVOIBLKN-QFIPXVFZSA-N 1 0 350.506 4.780 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933358 208321371 /nfs/dbraw/zinc/32/13/71/208321371.db2.gz SDFFYIOXHPJVSZ-YLJYHZDGSA-N 1 0 370.924 4.738 40 0 FJABRO O=C1[C@H](C2CC[NH+](C3CCCC3)CC2)CCCCN1CCc1ccccc1 ZINC000019745020 220291722 /nfs/dbraw/zinc/29/17/22/220291722.db2.gz NDHUHNCELROHBB-QHCPKHFHSA-N 1 0 368.565 4.512 40 0 FJABRO COc1cccc(-c2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000072359265 208838617 /nfs/dbraw/zinc/83/86/17/208838617.db2.gz IYKYTURPMAKUOS-UHFFFAOYSA-N 1 0 359.473 4.532 40 0 FJABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)CC(C)C)C3)c2)c1 ZINC000257215475 533619952 /nfs/dbraw/zinc/61/99/52/533619952.db2.gz CQGIWNDCOMUTIZ-KRWDZBQOSA-N 1 0 367.493 4.504 40 0 FJABRO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(NCc2ccccc2)[nH+]1 ZINC000328966930 132371945 /nfs/dbraw/zinc/37/19/45/132371945.db2.gz COZNPHBCYNYANX-UHFFFAOYSA-N 1 0 358.489 4.738 40 0 FJABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328980777 132372031 /nfs/dbraw/zinc/37/20/31/132372031.db2.gz GOZKNYRFJUKWMC-UHFFFAOYSA-N 1 0 356.901 4.746 40 0 FJABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(NC2CCCC2)[nH+]1 ZINC000329068613 132373219 /nfs/dbraw/zinc/37/32/19/132373219.db2.gz YRHGGXGKULBSDU-INIZCTEOSA-N 1 0 350.510 4.906 40 0 FJABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000100750202 222252114 /nfs/dbraw/zinc/25/21/14/222252114.db2.gz LARSFAQXRPZVNA-ZRCGQRJVSA-N 1 0 371.569 4.577 40 0 FJABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1 ZINC000007540799 263351926 /nfs/dbraw/zinc/35/19/26/263351926.db2.gz OXUZQYCYZLOOHN-LLSKXSJZSA-N 1 0 351.490 4.914 40 0 FJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000017076401 263372257 /nfs/dbraw/zinc/37/22/57/263372257.db2.gz LSEQORNDQWEMLS-UHFFFAOYSA-N 1 0 373.294 4.687 40 0 FJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022107506 263384915 /nfs/dbraw/zinc/38/49/15/263384915.db2.gz OKUWGZIGRPNPRP-RBZFPXEDSA-N 1 0 359.828 4.951 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)c1 ZINC000039753550 263399806 /nfs/dbraw/zinc/39/98/06/263399806.db2.gz QQLPEPPRZXBKOH-UHFFFAOYSA-N 1 0 366.505 4.633 40 0 FJABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020108846 522884097 /nfs/dbraw/zinc/88/40/97/522884097.db2.gz ITSZIQIVKITOJI-FQEVSTJZSA-N 1 0 374.912 4.978 40 0 FJABRO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000216388265 523049387 /nfs/dbraw/zinc/04/93/87/523049387.db2.gz SBZPGHYRIPMXAK-OAQYLSRUSA-N 1 0 354.494 4.633 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 ZINC000020110912 524091789 /nfs/dbraw/zinc/09/17/89/524091789.db2.gz PTAQECLCLJMBHO-INIZCTEOSA-N 1 0 356.897 4.502 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 ZINC000020050335 524233671 /nfs/dbraw/zinc/23/36/71/524233671.db2.gz SNFSPZPCYKAFEU-GOSISDBHSA-N 1 0 374.594 4.714 40 0 FJABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccco2)CC1 ZINC000306132399 528652554 /nfs/dbraw/zinc/65/25/54/528652554.db2.gz LHNJGNACEVJZDI-UHFFFAOYSA-N 1 0 363.461 4.608 40 0 FJABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@H+](C)Cc3ccccc3)C=C2C)o1 ZINC000035442614 560079755 /nfs/dbraw/zinc/07/97/55/560079755.db2.gz HZUFJHNPEQMTJR-FKBYEOEOSA-N 1 0 367.537 4.907 40 0 biogenic,in-vitro FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000216423580 568122794 /nfs/dbraw/zinc/12/27/94/568122794.db2.gz OAXYMUWSLYKOBI-SFHVURJKSA-N 1 0 354.494 4.551 40 0 FJABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)c2nc(C)cc(C)c2c1OC ZINC000001563139 570501729 /nfs/dbraw/zinc/50/17/29/570501729.db2.gz POISOEAVOLICSP-MRXNPFEDSA-N 1 0 373.541 4.791 40 0 FJABRO CC(C)CC[NH+](CCC(C)C)C[C@H](O)c1ccc(Br)cc1 ZINC000001621101 570502882 /nfs/dbraw/zinc/50/28/82/570502882.db2.gz GKZBLFPYBFCLKC-SFHVURJKSA-N 1 0 356.348 4.877 40 0 FJABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)cc(C)c2c1OC ZINC000002028739 570511846 /nfs/dbraw/zinc/51/18/46/570511846.db2.gz POISOEAVOLICSP-INIZCTEOSA-N 1 0 373.541 4.791 40 0 FJABRO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214368 570529980 /nfs/dbraw/zinc/52/99/80/570529980.db2.gz SGRBOVHLIJWLDU-GOSISDBHSA-N 1 0 353.466 4.766 40 0 FJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215342 570530819 /nfs/dbraw/zinc/53/08/19/570530819.db2.gz HHUANXNQLOALAU-GOSISDBHSA-N 1 0 359.514 4.921 40 0 FJABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215328 570530951 /nfs/dbraw/zinc/53/09/51/570530951.db2.gz ZJEUZEFGBGBXOD-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215327 570531102 /nfs/dbraw/zinc/53/11/02/570531102.db2.gz ZJEUZEFGBGBXOD-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215402 570531525 /nfs/dbraw/zinc/53/15/25/570531525.db2.gz JXJLCIGWNFFHQO-GOSISDBHSA-N 1 0 359.514 4.921 40 0 FJABRO CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072215875 570533501 /nfs/dbraw/zinc/53/35/01/570533501.db2.gz GGYFIXHRPVCFLA-GOSISDBHSA-N 1 0 353.466 4.969 40 0 FJABRO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905819 570538684 /nfs/dbraw/zinc/53/86/84/570538684.db2.gz XZCUHMYUXOJJOH-QUCCMNQESA-N 1 0 368.496 4.532 40 0 FJABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044934000 570539263 /nfs/dbraw/zinc/53/92/63/570539263.db2.gz VMPBYCBCKDQCOV-QAPCUYQASA-N 1 0 374.887 4.569 40 0 FJABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3cccc4cccnc43)C2)n1 ZINC000072369943 570546707 /nfs/dbraw/zinc/54/67/07/570546707.db2.gz GZONVEQPKWAKBS-LJQANCHMSA-N 1 0 370.456 4.583 40 0 FJABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000244457388 570610446 /nfs/dbraw/zinc/61/04/46/570610446.db2.gz ZEXRFXJCFMHBKE-UHFFFAOYSA-N 1 0 367.884 4.514 40 0 FJABRO C[NH+](C)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006437117 570647019 /nfs/dbraw/zinc/64/70/19/570647019.db2.gz OAKNQOGRECTGTA-QFIPXVFZSA-N 1 0 359.469 4.665 40 0 FJABRO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000004856980 570671478 /nfs/dbraw/zinc/67/14/78/570671478.db2.gz ZGIWEUNNIIBBHF-IHWFROFDSA-N 1 0 359.583 4.631 40 0 FJABRO Cc1nc2cc(F)ccc2n1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004858316 570671497 /nfs/dbraw/zinc/67/14/97/570671497.db2.gz FDCQXIYGBZFYPB-UHFFFAOYSA-N 1 0 357.860 4.974 40 0 FJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCC1)c1cccc(Cl)c1 ZINC000004887811 570672487 /nfs/dbraw/zinc/67/24/87/570672487.db2.gz WGKOWAWOMPOYAV-CTXDPNEZSA-N 1 0 360.929 4.788 40 0 FJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000004886520 570672572 /nfs/dbraw/zinc/67/25/72/570672572.db2.gz MFAPWULZOWUBMC-AYHJJNSGSA-N 1 0 365.974 4.668 40 0 FJABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000004907177 570673967 /nfs/dbraw/zinc/67/39/67/570673967.db2.gz CAGJYPPSBOQDCU-QGZVFWFLSA-N 1 0 352.522 4.960 40 0 FJABRO Cc1ccc(C)c2c(=O)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000005800608 570679399 /nfs/dbraw/zinc/67/93/99/570679399.db2.gz NAUAUTBUVZYDHK-SBUREZEXSA-N 1 0 352.522 4.854 40 0 FJABRO O=C(Nc1ccccc1)[C@@H]([NH2+]CCc1ccccc1)c1ccc(Cl)cc1 ZINC000408734071 570684193 /nfs/dbraw/zinc/68/41/93/570684193.db2.gz HZACNJDFTPQVEW-NRFANRHFSA-N 1 0 364.876 4.852 40 0 FJABRO COc1ccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)c(C)c1C ZINC000012222735 570729368 /nfs/dbraw/zinc/72/93/68/570729368.db2.gz VJQRCOMFHLBEKL-UHFFFAOYSA-N 1 0 361.489 4.635 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000009062900 570802749 /nfs/dbraw/zinc/80/27/49/570802749.db2.gz WPMQUYATAFHKOQ-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO COc1ccc2c(c1)c(C(=O)C[N@@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c(C)n2C ZINC000012658469 570815059 /nfs/dbraw/zinc/81/50/59/570815059.db2.gz NPEAVBVVTBDHLM-HJPURHCSSA-N 1 0 368.521 4.579 40 0 FJABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000018177317 570876208 /nfs/dbraw/zinc/87/62/08/570876208.db2.gz YRVCNIDKNRDSEV-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCCC3)CC[C@H]21 ZINC000019081602 570880012 /nfs/dbraw/zinc/88/00/12/570880012.db2.gz OMNNJOJCBIYCCY-VAMGGRTRSA-N 1 0 374.594 4.743 40 0 FJABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)on1 ZINC000019120740 570880431 /nfs/dbraw/zinc/88/04/31/570880431.db2.gz KLEZSDSQLDNYOJ-CQSZACIVSA-N 1 0 374.535 4.559 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)o2)s1 ZINC000019217598 570882288 /nfs/dbraw/zinc/88/22/88/570882288.db2.gz HBBAPVCHBWCYKO-SFHVURJKSA-N 1 0 367.518 4.919 40 0 FJABRO COc1cc2c(cc1OC)[C@H]([C@@H]1CC=CCC1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237829 570883720 /nfs/dbraw/zinc/88/37/20/570883720.db2.gz AMNMERCPYCDHTK-ICPLQIHGSA-N 1 0 364.489 4.692 40 0 FJABRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000019364995 570887558 /nfs/dbraw/zinc/88/75/58/570887558.db2.gz FXRALHNHAFKMSP-DEOSSOPVSA-N 1 0 350.550 4.781 40 0 FJABRO CC(C)c1ncc(C[N@H+](CCc2ccccc2)Cc2cccs2)cn1 ZINC000019453916 570889084 /nfs/dbraw/zinc/88/90/84/570889084.db2.gz TYYAUMDAQMPACM-UHFFFAOYSA-N 1 0 351.519 4.906 40 0 FJABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019453198 570889154 /nfs/dbraw/zinc/88/91/54/570889154.db2.gz MKKFXPBOKYSJEW-UHFFFAOYSA-N 1 0 362.477 4.635 40 0 FJABRO COc1cc2c(cc1OC)[C@H](C1CCCCC1)[NH2+][C@H](c1cccnc1)C2 ZINC000019550755 570892540 /nfs/dbraw/zinc/89/25/40/570892540.db2.gz JGTDGYMUSXCGAR-UGKGYDQZSA-N 1 0 352.478 4.607 40 0 FJABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000019563205 570893527 /nfs/dbraw/zinc/89/35/27/570893527.db2.gz ZNCPBWMMTOVSKJ-UHFFFAOYSA-N 1 0 374.897 4.535 40 0 FJABRO COc1cccc(-c2n[nH]cc2C[NH2+]C2(c3ccccc3F)CCCC2)c1 ZINC000019566509 570894357 /nfs/dbraw/zinc/89/43/57/570894357.db2.gz WWCWLJDKYVDMJV-UHFFFAOYSA-N 1 0 365.452 4.784 40 0 FJABRO CCC[C@H](C[N@H+](CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000022870988 570951761 /nfs/dbraw/zinc/95/17/61/570951761.db2.gz UEQHUGUPZTYFLZ-JOCHJYFZSA-N 1 0 354.538 4.643 40 0 FJABRO O=C(CCc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000026950993 571009332 /nfs/dbraw/zinc/00/93/32/571009332.db2.gz MSBHQVRYUZDDMT-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039760826 571023021 /nfs/dbraw/zinc/02/30/21/571023021.db2.gz QTLGQWXIGXROKF-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039763855 571023377 /nfs/dbraw/zinc/02/33/77/571023377.db2.gz DVCQMOPAJVJILJ-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000039762166 571023614 /nfs/dbraw/zinc/02/36/14/571023614.db2.gz JYGOJBIJGWPKNG-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039752629 571024643 /nfs/dbraw/zinc/02/46/43/571024643.db2.gz PVJASZQDLUXWQL-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000225272359 571025265 /nfs/dbraw/zinc/02/52/65/571025265.db2.gz JQDNSTFGUIGCDK-UHFFFAOYSA-N 1 0 364.533 4.727 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000039758199 571026276 /nfs/dbraw/zinc/02/62/76/571026276.db2.gz DAYVGLDUNOYFDR-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225581131 571047069 /nfs/dbraw/zinc/04/70/69/571047069.db2.gz RBAMYLOSANBLNK-MRXNPFEDSA-N 1 0 373.488 4.646 40 0 FJABRO CCOc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000030754329 571049491 /nfs/dbraw/zinc/04/94/91/571049491.db2.gz UEIQNXXOAOODSI-KRWDZBQOSA-N 1 0 352.478 4.570 40 0 FJABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946735 571053177 /nfs/dbraw/zinc/05/31/77/571053177.db2.gz DKEPWIHUFPICPB-LJQANCHMSA-N 1 0 368.908 4.531 40 0 FJABRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946737 571053493 /nfs/dbraw/zinc/05/34/93/571053493.db2.gz DKEPWIHUFPICPB-IBGZPJMESA-N 1 0 368.908 4.531 40 0 FJABRO C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCCCCCO ZINC000033703528 571066754 /nfs/dbraw/zinc/06/67/54/571066754.db2.gz DPRSBWGNESQTLG-LYCSZFELSA-N 1 0 371.565 4.759 40 0 FJABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000225804346 571067607 /nfs/dbraw/zinc/06/76/07/571067607.db2.gz ZSYMANZCZAIEQB-LJQANCHMSA-N 1 0 364.533 4.647 40 0 FJABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccc3ccccc3c21 ZINC000225824178 571070956 /nfs/dbraw/zinc/07/09/56/571070956.db2.gz XHKNRCKZBQOIFT-UHFFFAOYSA-N 1 0 357.453 4.840 40 0 FJABRO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383802 571076413 /nfs/dbraw/zinc/07/64/13/571076413.db2.gz RHWLUUIZJHMORH-LIPMQLJGSA-N 1 0 363.586 4.623 40 0 FJABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1C ZINC000038833585 571087108 /nfs/dbraw/zinc/08/71/08/571087108.db2.gz VYSOUZUDKWQTDK-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CCOc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834279 571087188 /nfs/dbraw/zinc/08/71/88/571087188.db2.gz UKWHYFIOAFQIDD-KRWDZBQOSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833590 571087312 /nfs/dbraw/zinc/08/73/12/571087312.db2.gz ACEWWXCHRVKIBM-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 ZINC000038835759 571087597 /nfs/dbraw/zinc/08/75/97/571087597.db2.gz CODTZFPFBJMNDI-OAHLLOKOSA-N 1 0 369.336 4.608 40 0 FJABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000038849678 571087701 /nfs/dbraw/zinc/08/77/01/571087701.db2.gz VLQOQLBGIJBJLD-MRXNPFEDSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849567 571087715 /nfs/dbraw/zinc/08/77/15/571087715.db2.gz JMOJJXHJVIMOMU-MRXNPFEDSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1C ZINC000038835183 571087861 /nfs/dbraw/zinc/08/78/61/571087861.db2.gz WCXDSZABORURRW-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)CC1 ZINC000038852884 571088350 /nfs/dbraw/zinc/08/83/50/571088350.db2.gz ZRKRLKZCNLXWSL-UHFFFAOYSA-N 1 0 374.594 4.714 40 0 FJABRO CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044911309 571104994 /nfs/dbraw/zinc/10/49/94/571104994.db2.gz SQXVWPKYIFOGCT-UHFFFAOYSA-N 1 0 352.478 4.714 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000260808261 571123733 /nfs/dbraw/zinc/12/37/33/571123733.db2.gz HZZQAQSUADGSQR-VQTJNVASSA-N 1 0 374.569 4.657 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)[nH+]1 ZINC000257271622 571156720 /nfs/dbraw/zinc/15/67/20/571156720.db2.gz MZBXMGCRVBFKNN-MRXNPFEDSA-N 1 0 355.457 4.635 40 0 FJABRO COc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257299473 571159585 /nfs/dbraw/zinc/15/95/85/571159585.db2.gz RQFAEKLDAGZNSO-QHCPKHFHSA-N 1 0 359.473 4.879 40 0 FJABRO Fc1ccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348945 571180498 /nfs/dbraw/zinc/18/04/98/571180498.db2.gz XXQZYXVEXHIYBX-IBGZPJMESA-N 1 0 361.464 4.586 40 0 FJABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348931 571180530 /nfs/dbraw/zinc/18/05/30/571180530.db2.gz KKVSWUGRTVSHIQ-LJQANCHMSA-N 1 0 359.473 4.532 40 0 FJABRO Cc1ccccc1Cc1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072348938 571180585 /nfs/dbraw/zinc/18/05/85/571180585.db2.gz ZAOCERJNRAZZLI-UHFFFAOYSA-N 1 0 357.501 4.755 40 0 FJABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348948 571180596 /nfs/dbraw/zinc/18/05/96/571180596.db2.gz HWQIYSNDAWXHKB-IBGZPJMESA-N 1 0 361.464 4.586 40 0 FJABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350007 571181408 /nfs/dbraw/zinc/18/14/08/571181408.db2.gz UGEBJZDCYIRNSA-QGZVFWFLSA-N 1 0 366.896 4.515 40 0 FJABRO Clc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358619 571183480 /nfs/dbraw/zinc/18/34/80/571183480.db2.gz LSJREMGATLVNRW-KRWDZBQOSA-N 1 0 364.880 4.572 40 0 FJABRO Clc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358566 571183496 /nfs/dbraw/zinc/18/34/96/571183496.db2.gz UNZIMRZJURTYMV-SFHVURJKSA-N 1 0 364.880 4.572 40 0 FJABRO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358565 571183608 /nfs/dbraw/zinc/18/36/08/571183608.db2.gz UNZIMRZJURTYMV-GOSISDBHSA-N 1 0 364.880 4.572 40 0 FJABRO COc1cccc(-c2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)c1 ZINC000072359360 571183951 /nfs/dbraw/zinc/18/39/51/571183951.db2.gz RYAUWORUFSCLQF-UHFFFAOYSA-N 1 0 373.500 4.574 40 0 FJABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369948 571185129 /nfs/dbraw/zinc/18/51/29/571185129.db2.gz NSDDVFNXBHCBQY-MRXNPFEDSA-N 1 0 373.378 4.745 40 0 FJABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3C)n2)n1 ZINC000072375265 571185637 /nfs/dbraw/zinc/18/56/37/571185637.db2.gz OILZHIHCIHHKQN-OAQYLSRUSA-N 1 0 373.504 4.878 40 0 FJABRO c1csc(Nc2cccc([C@H]3CCC[N@H+]3CCc3ccccc3)n2)n1 ZINC000072375141 571185803 /nfs/dbraw/zinc/18/58/03/571185803.db2.gz QPMGTRIEMHGROA-GOSISDBHSA-N 1 0 350.491 4.661 40 0 FJABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379111 571187818 /nfs/dbraw/zinc/18/78/18/571187818.db2.gz GTESYNOVIUNUHX-OAQYLSRUSA-N 1 0 374.532 4.642 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4cccc(C)c4)C3)o2)s1 ZINC000072390103 571189600 /nfs/dbraw/zinc/18/96/00/571189600.db2.gz JFQPWEKUHJUWAQ-KRWDZBQOSA-N 1 0 353.491 4.795 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4cccc(C)c4)C3)o2)s1 ZINC000072390104 571189639 /nfs/dbraw/zinc/18/96/39/571189639.db2.gz JFQPWEKUHJUWAQ-QGZVFWFLSA-N 1 0 353.491 4.795 40 0 FJABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000257259930 571204612 /nfs/dbraw/zinc/20/46/12/571204612.db2.gz LARSFAQXRPZVNA-TXTKFYIRSA-N 1 0 371.569 4.577 40 0 FJABRO CCCOc1c(C[NH2+]C2CCCCC2)c(C)nn1-c1ccc(F)cc1F ZINC000536554686 571207075 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Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)[nH]n2)cc1 ZINC000019743201 571327262 /nfs/dbraw/zinc/32/72/62/571327262.db2.gz FWHQUNQCWJUQRQ-JOCHJYFZSA-N 1 0 365.452 4.507 40 0 FJABRO CC(C)CCC[C@]1(C)Oc2ccc(O)cc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257340283 210003344 /nfs/dbraw/zinc/00/33/44/210003344.db2.gz ZFJDVFWLQZTGGM-NNWRFLSQSA-N 1 0 373.537 4.817 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225335765 222834484 /nfs/dbraw/zinc/83/44/84/222834484.db2.gz HKYHNDGHWXBEEV-MRXNPFEDSA-N 1 0 371.352 4.697 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CC(C)C)C2)[nH+]1 ZINC000257337660 223070982 /nfs/dbraw/zinc/07/09/82/223070982.db2.gz YTVGKSDJXYLQRS-INIZCTEOSA-N 1 0 355.457 4.635 40 0 FJABRO Cc1ccccc1C[N@@H+]1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096214634 209136886 /nfs/dbraw/zinc/13/68/86/209136886.db2.gz XACGGAMDZYBJDK-QHCPKHFHSA-N 1 0 363.505 4.658 40 0 FJABRO O=C(NCCC[NH+]1CCCCC1)c1ccccc1SCc1ccccc1 ZINC000013667760 220081345 /nfs/dbraw/zinc/08/13/45/220081345.db2.gz LORCRTRNDZWOTK-UHFFFAOYSA-N 1 0 368.546 4.585 40 0 FJABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccoc3)CC1)nc2-c1ccccc1 ZINC000096099924 209111975 /nfs/dbraw/zinc/11/19/75/209111975.db2.gz ANUDVQSKEJQGFU-UHFFFAOYSA-N 1 0 372.472 4.608 40 0 FJABRO Cc1cc([C@H]2CCCCC[N@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120201 220238088 /nfs/dbraw/zinc/23/80/88/220238088.db2.gz OSKRHTGOPLSZQM-MAUKXSAKSA-N 1 0 356.466 4.508 40 0 FJABRO Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccccc4F)CC3)o2)s1 ZINC000019217861 220240649 /nfs/dbraw/zinc/24/06/49/220240649.db2.gz KBGOXZNZIQLKIF-UHFFFAOYSA-N 1 0 357.454 4.625 40 0 FJABRO CC(C)C(=O)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071046 209107453 /nfs/dbraw/zinc/10/74/53/209107453.db2.gz WPHMVSZTCBYAIT-XMMPIXPASA-N 1 0 362.517 4.577 40 0 FJABRO c1ccc(CC[NH2+]CCN(CCc2ccccc2)CCc2ccccc2)cc1 ZINC000019365523 220253954 /nfs/dbraw/zinc/25/39/54/220253954.db2.gz FSNVBZBDAGOTCT-UHFFFAOYSA-N 1 0 372.556 4.606 40 0 FJABRO Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000019563185 220273417 /nfs/dbraw/zinc/27/34/17/220273417.db2.gz GLTAGTGTTPBSDT-UHFFFAOYSA-N 1 0 374.897 4.535 40 0 FJABRO Cc1ccccc1-c1ncc(C[N@@H+](C)Cc2cccc3ncccc23)cn1 ZINC000012191750 207346133 /nfs/dbraw/zinc/34/61/33/207346133.db2.gz RQUNDALRYKSCGJ-UHFFFAOYSA-N 1 0 354.457 4.632 40 0 FJABRO c1ccc2c(c1)cccc2C[NH+]1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019376372 207667295 /nfs/dbraw/zinc/66/72/95/207667295.db2.gz ITZZQKMCPQNLPL-UHFFFAOYSA-N 1 0 370.456 4.664 40 0 FJABRO CCOc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030754327 208003720 /nfs/dbraw/zinc/00/37/20/208003720.db2.gz UEIQNXXOAOODSI-QGZVFWFLSA-N 1 0 352.478 4.570 40 0 FJABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030869588 208005377 /nfs/dbraw/zinc/00/53/77/208005377.db2.gz PBISLQMTGUYWJW-QFIPXVFZSA-N 1 0 368.521 4.941 40 0 FJABRO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834070 208206139 /nfs/dbraw/zinc/20/61/39/208206139.db2.gz QLJFMYSSRIUWDN-IBGZPJMESA-N 1 0 362.448 4.830 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 ZINC000038848623 208208305 /nfs/dbraw/zinc/20/83/05/208208305.db2.gz WJIWHBZHWFRWKE-UHFFFAOYSA-N 1 0 356.897 4.502 40 0 FJABRO Cc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044909767 208321426 /nfs/dbraw/zinc/32/14/26/208321426.db2.gz MLAXYRMPUJJINN-UHFFFAOYSA-N 1 0 364.533 4.734 40 0 FJABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C ZINC000019691980 220285081 /nfs/dbraw/zinc/28/50/81/220285081.db2.gz YSSBZLGZXASMKB-XMMPIXPASA-N 1 0 374.532 4.843 40 0 FJABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cnn1C ZINC000019690927 220286426 /nfs/dbraw/zinc/28/64/26/220286426.db2.gz QWDCITLXTJCYGZ-XMMPIXPASA-N 1 0 374.532 4.668 40 0 FJABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1Cl ZINC000020036987 220310620 /nfs/dbraw/zinc/31/06/20/220310620.db2.gz ARFCEOQGHFCDPK-UHFFFAOYSA-N 1 0 372.896 4.833 40 0 FJABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358513 208837957 /nfs/dbraw/zinc/83/79/57/208837957.db2.gz WGKFGWPNSKUWLL-FQEVSTJZSA-N 1 0 361.464 4.705 40 0 FJABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)o1 ZINC000096038173 209098379 /nfs/dbraw/zinc/09/83/79/209098379.db2.gz NZQPXSZJHPPUBT-UHFFFAOYSA-N 1 0 372.472 4.677 40 0 FJABRO O=C(Nc1cccc(Br)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010324187 263365049 /nfs/dbraw/zinc/36/50/49/263365049.db2.gz VSEOPIWIDGSZMM-UHFFFAOYSA-N 1 0 373.294 4.687 40 0 FJABRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](O)c3ccccc3)o2)cc1Cl ZINC000022107390 263385387 /nfs/dbraw/zinc/38/53/87/263385387.db2.gz ITAYADLKRQMDPZ-SZNDQCEHSA-N 1 0 371.864 4.820 40 0 FJABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039743360 263399354 /nfs/dbraw/zinc/39/93/54/263399354.db2.gz ARBFMJOSAVUZCL-UHFFFAOYSA-N 1 0 354.469 4.547 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000020486660 521022997 /nfs/dbraw/zinc/02/29/97/521022997.db2.gz YIXFEJGBGVTKAC-UHFFFAOYSA-N 1 0 370.924 4.844 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1 ZINC000020044880 522532253 /nfs/dbraw/zinc/53/22/53/522532253.db2.gz XVRCPAGGYBLPKO-QFIPXVFZSA-N 1 0 350.506 4.862 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 ZINC000020050339 524091938 /nfs/dbraw/zinc/09/19/38/524091938.db2.gz SNFSPZPCYKAFEU-SFHVURJKSA-N 1 0 374.594 4.714 40 0 FJABRO Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@]34C2)cc1 ZINC000247542651 526334780 /nfs/dbraw/zinc/33/47/80/526334780.db2.gz SVFQQPZSZOXLGQ-NYVOZVTQSA-N 1 0 370.899 4.891 40 0 FJABRO CC(C)CCC[C@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21 ZINC000257304469 527706798 /nfs/dbraw/zinc/70/67/98/527706798.db2.gz SLVFDMWJBRJJMC-NNWRFLSQSA-N 1 0 373.537 4.817 40 0 FJABRO CCC[N@@H+]1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 ZINC000306129143 528253826 /nfs/dbraw/zinc/25/38/26/528253826.db2.gz HVRMBGCKDGCSBG-ILBGXUMGSA-N 1 0 371.528 4.919 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222676219 568552676 /nfs/dbraw/zinc/55/26/76/568552676.db2.gz HZZQAQSUADGSQR-WOJBJXKFSA-N 1 0 374.569 4.657 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)c1 ZINC000222799659 568564472 /nfs/dbraw/zinc/56/44/72/568564472.db2.gz XBSTVTNSZKECHC-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3cccc4ccccc43)CC2)c1 ZINC000222875889 568574899 /nfs/dbraw/zinc/57/48/99/568574899.db2.gz HRZWQWVZOWFTBD-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1 ZINC000001615825 570503121 /nfs/dbraw/zinc/50/31/21/570503121.db2.gz NDAKMAPCTFMTSY-QETWGEEDSA-N 1 0 355.547 4.691 40 0 FJABRO O[C@](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000001615854 570503168 /nfs/dbraw/zinc/50/31/68/570503168.db2.gz JOTQVNUKFKKTQB-SFYKDHMMSA-N 1 0 353.481 4.574 40 0 FJABRO CCOc1ccc2ccccc2c1[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCO ZINC000001666340 570503974 /nfs/dbraw/zinc/50/39/74/570503974.db2.gz PCQNNQHKFJDEHM-HXUWFJFHSA-N 1 0 369.892 4.758 40 0 FJABRO CC[NH+](CC)CCCCNc1ccnc2cc(Br)ccc21 ZINC000001700321 570504914 /nfs/dbraw/zinc/50/49/14/570504914.db2.gz WVSODMCSGBAHRK-UHFFFAOYSA-N 1 0 350.304 4.531 40 0 FJABRO O[C@@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc21)[C@H]1CCCC[NH2+]1 ZINC000001733784 570505833 /nfs/dbraw/zinc/50/58/33/570505833.db2.gz AJCGFJGKPNNFGK-NQIIRXRSSA-N 1 0 352.865 4.731 40 0 FJABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215388 570531377 /nfs/dbraw/zinc/53/13/77/570531377.db2.gz CFLZMGSGPJUNOT-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215387 570531677 /nfs/dbraw/zinc/53/16/77/570531677.db2.gz CFLZMGSGPJUNOT-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215519 570532030 /nfs/dbraw/zinc/53/20/30/570532030.db2.gz DSYQPTACRWJYBV-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[NH2+]2)cn1)C1CCCCC1 ZINC000072215695 570532991 /nfs/dbraw/zinc/53/29/91/570532991.db2.gz ZMWOCFFAENDUAQ-GOSISDBHSA-N 1 0 359.514 4.970 40 0 FJABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@H]([NH3+])C[C@]4(C)[C@H]3CC[C@]12C ZINC000118915654 570560106 /nfs/dbraw/zinc/56/01/06/570560106.db2.gz ZSSPHCDGLYDLSV-QDLWMIRSSA-N 1 0 359.554 4.844 40 0 in-vitro FJABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)[C@@H]([NH3+])C[C@]4(C)[C@H]3CC[C@]12C ZINC000118915655 570560141 /nfs/dbraw/zinc/56/01/41/570560141.db2.gz ZSSPHCDGLYDLSV-STZRLTCJSA-N 1 0 359.554 4.844 40 0 in-vitro FJABRO C[C@H]1C[N@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 ZINC000004411229 570590159 /nfs/dbraw/zinc/59/01/59/570590159.db2.gz URSAPVYAZIFTPK-GIVPXCGWSA-N 1 0 355.522 4.790 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004883344 570612342 /nfs/dbraw/zinc/61/23/42/570612342.db2.gz DNZRJKXKGAXZLF-AYHJJNSGSA-N 1 0 373.884 4.640 40 0 FJABRO CC1(C)CC(N(Cc2cccs2)C(=O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000004968454 570675793 /nfs/dbraw/zinc/67/57/93/570675793.db2.gz PEJZMPAPVLATKT-UHFFFAOYSA-N 1 0 374.525 4.839 40 0 FJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222635 570729614 /nfs/dbraw/zinc/72/96/14/570729614.db2.gz SQZKYCVQJIPWMI-HXUWFJFHSA-N 1 0 362.473 4.632 40 0 FJABRO COc1ccc(/C=C/c2cccc(/C=C\c3ccc(OC)cc3)[n+]2C)cc1 ZINC000017299049 570871670 /nfs/dbraw/zinc/87/16/70/570871670.db2.gz SSGQWECMUVPJNV-MFUUIURDSA-N 1 0 358.461 4.869 40 0 FJABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000018177360 570876239 /nfs/dbraw/zinc/87/62/39/570876239.db2.gz LTKXSPHRMQGLAK-UHFFFAOYSA-N 1 0 357.885 4.648 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1 ZINC000019454158 570889281 /nfs/dbraw/zinc/88/92/81/570889281.db2.gz VXFLEUOBDVRCOX-CMOCDZPBSA-N 1 0 365.521 4.671 40 0 FJABRO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000020495902 570918597 /nfs/dbraw/zinc/91/85/97/570918597.db2.gz OYKOUZYVLROMCQ-OAHLLOKOSA-N 1 0 372.896 4.833 40 0 FJABRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000022871029 570951437 /nfs/dbraw/zinc/95/14/37/570951437.db2.gz FXRALHNHAFKMSP-XMMPIXPASA-N 1 0 350.550 4.781 40 0 FJABRO Cc1cc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224705044 570997780 /nfs/dbraw/zinc/99/77/80/570997780.db2.gz DRGWMPIFOBCXQR-UHFFFAOYSA-N 1 0 350.506 4.528 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000224977855 571008397 /nfs/dbraw/zinc/00/83/97/571008397.db2.gz ZGFKXMGJHQKLIZ-QHCPKHFHSA-N 1 0 364.533 4.667 40 0 FJABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039761237 571022923 /nfs/dbraw/zinc/02/29/23/571022923.db2.gz XVGBJBAAZNNAKZ-SFHVURJKSA-N 1 0 368.496 4.532 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039766905 571023653 /nfs/dbraw/zinc/02/36/53/571023653.db2.gz IKSQHNDSDPKEPR-UHFFFAOYSA-N 1 0 364.533 4.971 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039768742 571023991 /nfs/dbraw/zinc/02/39/91/571023991.db2.gz HZGDWVAIFCFNKK-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039757392 571025445 /nfs/dbraw/zinc/02/54/45/571025445.db2.gz WTMALVVDOYEQHP-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225597378 571048265 /nfs/dbraw/zinc/04/82/65/571048265.db2.gz DDCMYQBBIRAXAD-SFHVURJKSA-N 1 0 358.526 4.706 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 ZINC000030754000 571049429 /nfs/dbraw/zinc/04/94/29/571049429.db2.gz DWLPAZDLNKXQBO-KRWDZBQOSA-N 1 0 370.924 4.844 40 0 FJABRO CSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030938033 571052561 /nfs/dbraw/zinc/05/25/61/571052561.db2.gz OJLFISNVSAMYFH-MRXNPFEDSA-N 1 0 374.937 4.913 40 0 FJABRO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944018 571053233 /nfs/dbraw/zinc/05/32/33/571053233.db2.gz AFOYZJURLHQKKB-GOSISDBHSA-N 1 0 362.945 4.781 40 0 FJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225666445 571053937 /nfs/dbraw/zinc/05/39/37/571053937.db2.gz VEQGGFVNRDNFAF-SFHVURJKSA-N 1 0 360.542 4.511 40 0 FJABRO COc1ccc(CC[N@H+](C)C(c2ccccc2)c2ccccc2)cc1OC ZINC000031748902 571055357 /nfs/dbraw/zinc/05/53/57/571055357.db2.gz MVEWDFBCXNEXIU-UHFFFAOYSA-N 1 0 361.485 4.968 40 0 FJABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277832 571100267 /nfs/dbraw/zinc/10/02/67/571100267.db2.gz WTTJGPMJIMQWDA-UHFFFAOYSA-N 1 0 374.463 4.663 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000044934895 571105203 /nfs/dbraw/zinc/10/52/03/571105203.db2.gz HPSJVQSTSJFBFV-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1 ZINC000044934268 571105296 /nfs/dbraw/zinc/10/52/96/571105296.db2.gz PAVYWOMSEQVXNO-QGZVFWFLSA-N 1 0 354.469 4.693 40 0 FJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(F)cc1 ZINC000044934271 571105320 /nfs/dbraw/zinc/10/53/20/571105320.db2.gz XRDDUDMRCSNSIE-KRWDZBQOSA-N 1 0 354.469 4.549 40 0 FJABRO CN(C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)C1CCCCC1 ZINC000044940396 571105344 /nfs/dbraw/zinc/10/53/44/571105344.db2.gz XYGKHGMLMKSJMF-UHFFFAOYSA-N 1 0 362.517 4.650 40 0 FJABRO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044936809 571105376 /nfs/dbraw/zinc/10/53/76/571105376.db2.gz KBUVOIIFULJJIK-QHCPKHFHSA-N 1 0 364.533 4.802 40 0 FJABRO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260836847 571124234 /nfs/dbraw/zinc/12/42/34/571124234.db2.gz AIDUKOIYYZHCTM-RBUKOAKNSA-N 1 0 364.533 4.972 40 0 FJABRO c1nc(Nc2cccc(C[C@H]3CCC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000585263068 571125574 /nfs/dbraw/zinc/12/55/74/571125574.db2.gz IJPJEGIQTOPFQR-INIZCTEOSA-N 1 0 364.518 4.881 40 0 FJABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000257243628 571153629 /nfs/dbraw/zinc/15/36/29/571153629.db2.gz IHVRJUKRJLKTDQ-QGZVFWFLSA-N 1 0 367.468 4.779 40 0 FJABRO COc1cccc2c1O[C@](C)(CCCC(C)C)[C@@H]1C[C@@H]3C[NH2+]CC[C@H]3O[C@@H]21 ZINC000257265654 571155941 /nfs/dbraw/zinc/15/59/41/571155941.db2.gz LZSXYVVOCTULAC-XDACAXMVSA-N 1 0 373.537 4.728 40 0 FJABRO COc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)c1 ZINC000257307915 571160416 /nfs/dbraw/zinc/16/04/16/571160416.db2.gz TURBVJZZTWMRSB-QHCPKHFHSA-N 1 0 359.473 4.879 40 0 FJABRO Fc1ccc(Cc2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000072348855 571180493 /nfs/dbraw/zinc/18/04/93/571180493.db2.gz VWXPCEIPDOYSJH-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348940 571180668 /nfs/dbraw/zinc/18/06/68/571180668.db2.gz RVGUDWXUKDQVCZ-NRFANRHFSA-N 1 0 357.501 4.755 40 0 FJABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350244 571181687 /nfs/dbraw/zinc/18/16/87/571181687.db2.gz BTVVVSKNMTUODX-OAQYLSRUSA-N 1 0 372.516 4.789 40 0 FJABRO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(C)c3)n2)C1 ZINC000072350272 571181760 /nfs/dbraw/zinc/18/17/60/571181760.db2.gz DHVLRAOLWHQFCX-HXUWFJFHSA-N 1 0 360.505 4.653 40 0 FJABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1 ZINC000072350271 571181763 /nfs/dbraw/zinc/18/17/63/571181763.db2.gz DHVLRAOLWHQFCX-FQEVSTJZSA-N 1 0 360.505 4.653 40 0 FJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072358219 571183271 /nfs/dbraw/zinc/18/32/71/571183271.db2.gz LRJMSFYMMJDXQZ-HSZRJFAPSA-N 1 0 372.516 4.755 40 0 FJABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072358218 571183283 /nfs/dbraw/zinc/18/32/83/571183283.db2.gz LRJMSFYMMJDXQZ-QHCPKHFHSA-N 1 0 372.516 4.755 40 0 FJABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]n1 ZINC000072371190 571185352 /nfs/dbraw/zinc/18/53/52/571185352.db2.gz FHOMKGOCASADOD-INIZCTEOSA-N 1 0 373.928 4.807 40 0 FJABRO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH]n1 ZINC000072371189 571185425 /nfs/dbraw/zinc/18/54/25/571185425.db2.gz FHOMKGOCASADOD-MRXNPFEDSA-N 1 0 373.928 4.807 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072379126 571187613 /nfs/dbraw/zinc/18/76/13/571187613.db2.gz NPYUVONJKATYQF-NRFANRHFSA-N 1 0 360.505 4.770 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)o2)s1 ZINC000072390091 571189526 /nfs/dbraw/zinc/18/95/26/571189526.db2.gz HMUYDNZUYYWMCB-OAHLLOKOSA-N 1 0 357.454 4.625 40 0 FJABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 ZINC000585100813 571222313 /nfs/dbraw/zinc/22/23/13/571222313.db2.gz XQAMRYKFBMSMCA-QHCPKHFHSA-N 1 0 372.528 4.753 40 0 FJABRO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000033948626 571279284 /nfs/dbraw/zinc/27/92/84/571279284.db2.gz UXIGUKSHASXDNI-IBGZPJMESA-N 1 0 350.506 4.698 40 0 in-man FJABRO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063449 571302509 /nfs/dbraw/zinc/30/25/09/571302509.db2.gz AYPFOICIRJVACL-UHFFFAOYSA-N 1 0 362.945 4.781 40 0 FJABRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010329427 571303097 /nfs/dbraw/zinc/30/30/97/571303097.db2.gz KFEQONRIUFCJBQ-UHFFFAOYSA-N 1 0 352.478 4.712 40 0 FJABRO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000019743203 571327233 /nfs/dbraw/zinc/32/72/33/571327233.db2.gz WUMMXRZWFPLKDK-NRFANRHFSA-N 1 0 365.452 4.507 40 0 FJABRO COc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257337128 210002877 /nfs/dbraw/zinc/00/28/77/210002877.db2.gz YRNLETZYFZALRJ-XMMPIXPASA-N 1 0 373.500 4.803 40 0 FJABRO C[NH+](C)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21 ZINC000000538416 219305180 /nfs/dbraw/zinc/30/51/80/219305180.db2.gz WRHGGQFJPWBBTG-UHFFFAOYSA-N 1 0 356.473 4.654 40 0 in-man FJABRO O=C(CCc1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224688623 209789624 /nfs/dbraw/zinc/78/96/24/209789624.db2.gz LNEUJVRBPADTLQ-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000223437730 209759338 /nfs/dbraw/zinc/75/93/38/209759338.db2.gz GMTWWKRMBZCHEC-IBGZPJMESA-N 1 0 350.506 4.699 40 0 FJABRO Cc1cccnc1Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)cn1 ZINC000257330005 223067692 /nfs/dbraw/zinc/06/76/92/223067692.db2.gz XMJTZQNBGMPHLX-FQEVSTJZSA-N 1 0 359.477 4.651 40 0 FJABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)[C@H]([NH3+])C[C@]4(C)[C@H]3CC[C@]12C ZINC000118915656 209348889 /nfs/dbraw/zinc/34/88/89/209348889.db2.gz ZSSPHCDGLYDLSV-OFBJMJJYSA-N 1 0 359.554 4.844 40 0 in-vitro FJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019081791 220235331 /nfs/dbraw/zinc/23/53/31/220235331.db2.gz RFSHXPJKQABFBM-TZIWHRDSSA-N 1 0 371.569 4.577 40 0 FJABRO COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216063 220241052 /nfs/dbraw/zinc/24/10/52/220241052.db2.gz HMBKCWCSBRFTPX-FGZHOGPDSA-N 1 0 374.484 4.578 40 0 FJABRO Clc1ccccc1C[NH+]1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019348921 220254062 /nfs/dbraw/zinc/25/40/62/220254062.db2.gz VFBFOEZBWLXQFY-UHFFFAOYSA-N 1 0 359.882 4.831 40 0 FJABRO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccccn3)on2)cc1 ZINC000019401750 220254631 /nfs/dbraw/zinc/25/46/31/220254631.db2.gz PYVAGUSBPVQRTI-FQEVSTJZSA-N 1 0 351.425 4.993 40 0 FJABRO COc1ccccc1Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 ZINC000001894745 206898531 /nfs/dbraw/zinc/89/85/31/206898531.db2.gz GTVRNRZHFCEDCV-UHFFFAOYSA-O 1 0 360.462 4.839 40 0 FJABRO COc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000002685430 206928475 /nfs/dbraw/zinc/92/84/75/206928475.db2.gz RDKNZUNFKUOBGO-UHFFFAOYSA-N 1 0 353.873 4.820 40 0 FJABRO COc1cc(C)c(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1C ZINC000019567277 220274325 /nfs/dbraw/zinc/27/43/25/220274325.db2.gz VNGDPPVLSMZZBM-UHFFFAOYSA-N 1 0 361.489 4.635 40 0 FJABRO CC(C)Oc1cccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000012220302 207348528 /nfs/dbraw/zinc/34/85/28/207348528.db2.gz MILHXGDYMCNUNK-UHFFFAOYSA-N 1 0 361.489 4.797 40 0 FJABRO O=C1CCCN1c1ccc(C[NH2+]C2(c3ccccc3F)CCCC2)cc1 ZINC000012292755 207354491 /nfs/dbraw/zinc/35/44/91/207354491.db2.gz RBRBJICVUAFWLZ-UHFFFAOYSA-N 1 0 352.453 4.512 40 0 FJABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834686 208206040 /nfs/dbraw/zinc/20/60/40/208206040.db2.gz GSDRKUAKNAIHIF-MRXNPFEDSA-N 1 0 362.395 4.556 40 0 FJABRO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834337 208206083 /nfs/dbraw/zinc/20/60/83/208206083.db2.gz JOIQHIGMNHQIGG-KRWDZBQOSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856094 208208608 /nfs/dbraw/zinc/20/86/08/208208608.db2.gz APPGOWJQSGFYEY-IBGZPJMESA-N 1 0 354.469 4.602 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000044856348 208320878 /nfs/dbraw/zinc/32/08/78/208320878.db2.gz FVLUFAZHHVJJMJ-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO Cc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044909775 208322273 /nfs/dbraw/zinc/32/22/73/208322273.db2.gz LHDJCKWCWOVCLB-HXUWFJFHSA-N 1 0 364.533 4.590 40 0 FJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000044935739 208322883 /nfs/dbraw/zinc/32/28/83/208322883.db2.gz UOEGNSMLRGINRK-QHCPKHFHSA-N 1 0 364.533 4.783 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000044934886 208323245 /nfs/dbraw/zinc/32/32/45/208323245.db2.gz FIHKZQWITWLVCN-FQEVSTJZSA-N 1 0 364.533 4.701 40 0 FJABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889679 220303046 /nfs/dbraw/zinc/30/30/46/220303046.db2.gz XGHRSOOIFQRQQF-AKIFATBCSA-N 1 0 374.528 4.809 40 0 FJABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]Cc3ccc(F)cc3)C=C2C)o1 ZINC000035442617 220784606 /nfs/dbraw/zinc/78/46/06/220784606.db2.gz KUXFBARQZQRLPZ-ZJOUEHCJSA-N 1 0 371.500 4.704 40 0 biogenic,in-vitro FJABRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044933548 220964357 /nfs/dbraw/zinc/96/43/57/220964357.db2.gz LQTKHYJESXZRRU-LJQANCHMSA-N 1 0 350.506 4.862 40 0 FJABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044933277 220964822 /nfs/dbraw/zinc/96/48/22/220964822.db2.gz OAOCHDCWQUDSPS-GOSISDBHSA-N 1 0 366.505 4.562 40 0 FJABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169370 221019965 /nfs/dbraw/zinc/01/99/65/221019965.db2.gz AZSGIFKRWWNZCD-INIZCTEOSA-N 1 0 373.378 4.745 40 0 biogenic,in-vitro FJABRO C[C@H]1CC2=C(C[C@H]1[C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944165 221048997 /nfs/dbraw/zinc/04/89/97/221048997.db2.gz KCELIKSTAFGHFD-ZBQZNYHESA-N 1 0 363.509 4.637 40 0 FJABRO C[C@@H]1CC2=C(C[C@H]1[C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944163 221049099 /nfs/dbraw/zinc/04/90/99/221049099.db2.gz KCELIKSTAFGHFD-ZXYWRSMDSA-N 1 0 363.509 4.637 40 0 FJABRO COc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)c1 ZINC000257307914 533370904 /nfs/dbraw/zinc/37/09/04/533370904.db2.gz TURBVJZZTWMRSB-HSZRJFAPSA-N 1 0 359.473 4.879 40 0 FJABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328961017 132371923 /nfs/dbraw/zinc/37/19/23/132371923.db2.gz BACKUOMRBQTUKI-UHFFFAOYSA-N 1 0 370.928 5.000 40 0 FJABRO c1csc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)c1 ZINC000096038168 221994916 /nfs/dbraw/zinc/99/49/16/221994916.db2.gz FLSIEGPDVDYVCC-UHFFFAOYSA-N 1 0 374.513 4.837 40 0 FJABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000007539218 263351824 /nfs/dbraw/zinc/35/18/24/263351824.db2.gz JDKJXWQSBZEGMN-UHFFFAOYSA-N 1 0 374.440 4.547 40 0 FJABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000007538720 263351962 /nfs/dbraw/zinc/35/19/62/263351962.db2.gz HRKJPRWLABDQKL-UHFFFAOYSA-N 1 0 365.473 4.792 40 0 FJABRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)o2)cc1Cl ZINC000022107384 263385013 /nfs/dbraw/zinc/38/50/13/263385013.db2.gz ITAYADLKRQMDPZ-QKKBWIMNSA-N 1 0 371.864 4.820 40 0 FJABRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000022107380 263385495 /nfs/dbraw/zinc/38/54/95/263385495.db2.gz ITAYADLKRQMDPZ-SPLOXXLWSA-N 1 0 371.864 4.820 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000039751118 263399359 /nfs/dbraw/zinc/39/93/59/263399359.db2.gz RWQZOOFXOVKFPD-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039754506 263399423 /nfs/dbraw/zinc/39/94/23/263399423.db2.gz UHMBMRFTCRRHMI-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO COc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257337127 533810758 /nfs/dbraw/zinc/81/07/58/533810758.db2.gz YRNLETZYFZALRJ-DEOSSOPVSA-N 1 0 373.500 4.803 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000020495703 520753219 /nfs/dbraw/zinc/75/32/19/520753219.db2.gz FOGCORYEMRTUKN-HNNXBMFYSA-N 1 0 360.885 4.588 40 0 FJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000020035936 522530604 /nfs/dbraw/zinc/53/06/04/522530604.db2.gz RJQBZQVPLDKKEY-GCJKJVERSA-N 1 0 350.506 4.800 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000020035932 522782848 /nfs/dbraw/zinc/78/28/48/522782848.db2.gz RJQBZQVPLDKKEY-XMSQKQJNSA-N 1 0 350.506 4.800 40 0 FJABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020106590 523037699 /nfs/dbraw/zinc/03/76/99/523037699.db2.gz PKRRHVZJJPRQDI-OAQYLSRUSA-N 1 0 368.521 4.941 40 0 FJABRO Cc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020036964 524320180 /nfs/dbraw/zinc/32/01/80/524320180.db2.gz OXGVOLOKPNSWBY-UHFFFAOYSA-N 1 0 364.533 4.590 40 0 FJABRO CCC[N@@H+]1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 ZINC000306129145 528254268 /nfs/dbraw/zinc/25/42/68/528254268.db2.gz HVRMBGCKDGCSBG-UKILVPOCSA-N 1 0 371.528 4.919 40 0 FJABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1 ZINC000004237301 560197769 /nfs/dbraw/zinc/19/77/69/560197769.db2.gz AZMNYINCINXNEI-ZWKOTPCHSA-N 1 0 368.546 4.576 40 0 biogenic,in-vitro FJABRO C[NH+](C)CCN(Cc1cccs1)Cc1ccnc2ccc(Cl)cc12 ZINC000023247873 568394138 /nfs/dbraw/zinc/39/41/38/568394138.db2.gz BYDGPKMTSSXMKF-UHFFFAOYSA-N 1 0 359.926 4.514 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000222799572 568564453 /nfs/dbraw/zinc/56/44/53/568564453.db2.gz FQBYYOMUVONEMJ-UHFFFAOYSA-N 1 0 372.512 4.677 40 0 FJABRO c1nc(Nc2cccc(CC[C@@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585263256 570481741 /nfs/dbraw/zinc/48/17/41/570481741.db2.gz SMFJUIRNIKRYDK-INIZCTEOSA-N 1 0 350.491 4.633 40 0 FJABRO C[NH+]1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262965 570481768 /nfs/dbraw/zinc/48/17/68/570481768.db2.gz GFELZUSWRSLXNJ-UHFFFAOYSA-N 1 0 350.491 4.758 40 0 FJABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](C2CCCCC2)CC1 ZINC000585282122 570492673 /nfs/dbraw/zinc/49/26/73/570492673.db2.gz XYCXQULBTLTYPH-LJQANCHMSA-N 1 0 372.336 4.922 40 0 FJABRO CCCCc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585290547 570495826 /nfs/dbraw/zinc/49/58/26/570495826.db2.gz YCERMUUKMCWKDC-YTFSRNRJSA-N 1 0 371.496 4.619 40 0 FJABRO O[C@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(F)cc1 ZINC000001615887 570502866 /nfs/dbraw/zinc/50/28/66/570502866.db2.gz LHCBUQBFGUQNHB-SLXFGWRHSA-N 1 0 367.508 4.768 40 0 FJABRO CC[NH+](CC)CC[C@](CCc1ccccc1)(C(=O)OC)c1cccs1 ZINC000001679376 570504625 /nfs/dbraw/zinc/50/46/25/570504625.db2.gz CEHPYKHGMYQFNH-NRFANRHFSA-N 1 0 359.535 4.524 40 0 FJABRO C[C@@H](C[NH+]1CCCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001698623 570504842 /nfs/dbraw/zinc/50/48/42/570504842.db2.gz QZUSABKVUXHRGF-PGRDOPGGSA-N 1 0 357.925 4.892 40 0 FJABRO O[C@H](c1cc(-c2ccccc2)nc2cc(Cl)ccc21)[C@H]1CCCC[NH2+]1 ZINC000001733785 570505907 /nfs/dbraw/zinc/50/59/07/570505907.db2.gz AJCGFJGKPNNFGK-WIYYLYMNSA-N 1 0 352.865 4.731 40 0 FJABRO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214308 570530036 /nfs/dbraw/zinc/53/00/36/570530036.db2.gz ZNEMIIZGZRDHHN-GOSISDBHSA-N 1 0 353.466 4.766 40 0 FJABRO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214428 570530141 /nfs/dbraw/zinc/53/01/41/570530141.db2.gz YFKHCEBUNWUNAQ-LJQANCHMSA-N 1 0 367.493 4.790 40 0 FJABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215386 570531657 /nfs/dbraw/zinc/53/16/57/570531657.db2.gz FNJJITFJKSYNPR-SFHVURJKSA-N 1 0 359.514 4.778 40 0 FJABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905820 570538696 /nfs/dbraw/zinc/53/86/96/570538696.db2.gz XZCUHMYUXOJJOH-ICSRJNTNSA-N 1 0 368.496 4.532 40 0 FJABRO C[C@@H](C[NH2+]C1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000006487209 570647844 /nfs/dbraw/zinc/64/78/44/570647844.db2.gz QIPMPDREAVIMPZ-SFHVURJKSA-N 1 0 351.490 4.673 40 0 FJABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)c1C ZINC000004857145 570671526 /nfs/dbraw/zinc/67/15/26/570671526.db2.gz ZLDIGORJNNGUCY-CTXDPNEZSA-N 1 0 371.594 4.918 40 0 FJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(Cl)c1 ZINC000004887914 570672523 /nfs/dbraw/zinc/67/25/23/570672523.db2.gz FUBOBDOVQPLINL-SEJPIABJSA-N 1 0 368.908 4.656 40 0 FJABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000004886719 570672621 /nfs/dbraw/zinc/67/26/21/570672621.db2.gz KIDOFKNTYRTJQS-GOOCMWNKSA-N 1 0 369.431 4.622 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000036092679 570693811 /nfs/dbraw/zinc/69/38/11/570693811.db2.gz RJQBZQVPLDKKEY-PGRDOPGGSA-N 1 0 350.506 4.800 40 0 FJABRO CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012118184 570720085 /nfs/dbraw/zinc/72/00/85/570720085.db2.gz GHULBWWKBUQCAT-UHFFFAOYSA-N 1 0 355.526 4.548 40 0 FJABRO CCOc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1Cl ZINC000006949710 570785863 /nfs/dbraw/zinc/78/58/63/570785863.db2.gz DXAYFBPFVHFOTL-UHFFFAOYSA-N 1 0 360.885 4.833 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000006949591 570785912 /nfs/dbraw/zinc/78/59/12/570785912.db2.gz NWPOFAYLWVTPAO-UHFFFAOYSA-N 1 0 368.521 4.978 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000006949667 570785993 /nfs/dbraw/zinc/78/59/93/570785993.db2.gz DJGANMBMWOTJRK-UHFFFAOYSA-N 1 0 362.926 4.913 40 0 FJABRO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063245 570797043 /nfs/dbraw/zinc/79/70/43/570797043.db2.gz SIJHPVISIWQARY-UHFFFAOYSA-N 1 0 374.937 4.913 40 0 FJABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009062669 570797068 /nfs/dbraw/zinc/79/70/68/570797068.db2.gz IIMXTLLRADKJBR-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009063199 570797155 /nfs/dbraw/zinc/79/71/55/570797155.db2.gz VWXXMLVDHXQHMH-UHFFFAOYSA-N 1 0 356.897 4.753 40 0 FJABRO Cc1cc2nc([C@H]3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2cc1C ZINC000012878985 570817340 /nfs/dbraw/zinc/81/73/40/570817340.db2.gz FOCNJBOKFDEEEW-INIZCTEOSA-N 1 0 370.566 4.566 40 0 FJABRO CCn1c(CN(Cc2ccncc2)Cc2ccc(C)cc2)nc2ccccc21 ZINC000013989316 570840528 /nfs/dbraw/zinc/84/05/28/570840528.db2.gz SXDNGBWLECXHIQ-UHFFFAOYSA-N 1 0 370.500 4.962 40 0 FJABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(F)cc1 ZINC000017378401 570872683 /nfs/dbraw/zinc/87/26/83/570872683.db2.gz LHCBUQBFGUQNHB-VUNKPPBISA-N 1 0 367.508 4.768 40 0 FJABRO Cc1ccsc1-c1nnc(C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000019238718 570883464 /nfs/dbraw/zinc/88/34/64/570883464.db2.gz LQEDOTZZDSYVEY-UHFFFAOYSA-N 1 0 353.491 4.529 40 0 FJABRO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1cc2c(cc1C)OCO2 ZINC000019237638 570883702 /nfs/dbraw/zinc/88/37/02/570883702.db2.gz HXFCKPMELWZXIW-SFHVURJKSA-N 1 0 366.486 4.562 40 0 FJABRO Cc1[nH]c2ccc(F)cc2c1[C@@H](O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000019581400 570894968 /nfs/dbraw/zinc/89/49/68/570894968.db2.gz MSHAKHSQENXAFY-NRFANRHFSA-N 1 0 368.427 4.577 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000020461892 570917648 /nfs/dbraw/zinc/91/76/48/570917648.db2.gz KINHJALUNZBEDK-HSZRJFAPSA-N 1 0 362.517 4.726 40 0 FJABRO CSc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000022509186 570944743 /nfs/dbraw/zinc/94/47/43/570944743.db2.gz ILHDFWUIKITQQF-INIZCTEOSA-N 1 0 354.519 4.893 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000005155764 570951519 /nfs/dbraw/zinc/95/15/19/570951519.db2.gz UVOCKBWJADXADZ-VJBWXMMDSA-N 1 0 369.480 4.703 40 0 FJABRO Cc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224699842 570997939 /nfs/dbraw/zinc/99/79/39/570997939.db2.gz HKJIWAYYDBBRIV-UHFFFAOYSA-N 1 0 364.533 4.538 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224988114 571008904 /nfs/dbraw/zinc/00/89/04/571008904.db2.gz PMOBVEZDRFDCPC-UHFFFAOYSA-N 1 0 374.912 4.978 40 0 FJABRO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCCc2ccccc21 ZINC000039766587 571023528 /nfs/dbraw/zinc/02/35/28/571023528.db2.gz ADMDBDPSFUTMAI-UHFFFAOYSA-N 1 0 368.908 4.531 40 0 FJABRO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000039750918 571024428 /nfs/dbraw/zinc/02/44/28/571024428.db2.gz LSTNGKPWEKKUHM-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039743005 571024475 /nfs/dbraw/zinc/02/44/75/571024475.db2.gz TUXWVOLUYLJQNP-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000039754921 571024492 /nfs/dbraw/zinc/02/44/92/571024492.db2.gz ZMDXPJPOPVRRCN-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000039755095 571024610 /nfs/dbraw/zinc/02/46/10/571024610.db2.gz PCJUQIKOJJVJKZ-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039756250 571025051 /nfs/dbraw/zinc/02/50/51/571025051.db2.gz RCPOZAXMGPZCMB-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221090 571027701 /nfs/dbraw/zinc/02/77/01/571027701.db2.gz MRKUUMRIUUNSFV-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220437 571027955 /nfs/dbraw/zinc/02/79/55/571027955.db2.gz OMQNMTDKAPLOMB-LJQANCHMSA-N 1 0 360.929 4.559 40 0 FJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)C1 ZINC000225474775 571038252 /nfs/dbraw/zinc/03/82/52/571038252.db2.gz WNWDGTRCUQUDKH-LJQANCHMSA-N 1 0 364.533 4.670 40 0 FJABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225597015 571048217 /nfs/dbraw/zinc/04/82/17/571048217.db2.gz DAXQZTJSXTZCFM-ROUUACIJSA-N 1 0 358.526 4.562 40 0 FJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225666417 571053932 /nfs/dbraw/zinc/05/39/32/571053932.db2.gz VEQGGFVNRDNFAF-GOSISDBHSA-N 1 0 360.542 4.511 40 0 FJABRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCCCCCO ZINC000033703530 571066642 /nfs/dbraw/zinc/06/66/42/571066642.db2.gz DPRSBWGNESQTLG-DFWAIWNTSA-N 1 0 371.565 4.759 40 0 FJABRO CC(C)(C)c1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000225818385 571069967 /nfs/dbraw/zinc/06/99/67/571069967.db2.gz YPESFHWFNJDNTN-UHFFFAOYSA-N 1 0 363.501 4.984 40 0 FJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000038771602 571086539 /nfs/dbraw/zinc/08/65/39/571086539.db2.gz UCSMGGQRCOVYRA-XXAPSYRMSA-N 1 0 366.549 4.617 40 0 FJABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038834996 571087066 /nfs/dbraw/zinc/08/70/66/571087066.db2.gz HNALCLVCBOHNMI-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833642 571087089 /nfs/dbraw/zinc/08/70/89/571087089.db2.gz KEAGTACVHNMEKE-GOSISDBHSA-N 1 0 356.897 4.753 40 0 FJABRO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833523 571087235 /nfs/dbraw/zinc/08/72/35/571087235.db2.gz AYMHZBSIZJSNHI-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833457 571087339 /nfs/dbraw/zinc/08/73/39/571087339.db2.gz DLIURSFFQPDCRL-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)s1 ZINC000043277880 571099944 /nfs/dbraw/zinc/09/99/44/571099944.db2.gz VRSSHANGCURSTQ-UHFFFAOYSA-N 1 0 361.461 4.624 40 0 FJABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CCCC2)[nH+]1 ZINC000328989759 571106586 /nfs/dbraw/zinc/10/65/86/571106586.db2.gz IMKZKHYBAIOWCT-UHFFFAOYSA-N 1 0 350.510 4.691 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260836844 571124266 /nfs/dbraw/zinc/12/42/66/571124266.db2.gz AIDUKOIYYZHCTM-OALUTQOASA-N 1 0 364.533 4.972 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000257224478 571151777 /nfs/dbraw/zinc/15/17/77/571151777.db2.gz FBZHGGIGOFZIIC-QGZVFWFLSA-N 1 0 367.468 4.779 40 0 FJABRO COc1cccc(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 ZINC000257229027 571152567 /nfs/dbraw/zinc/15/25/67/571152567.db2.gz FWJKNYKGSHSOBB-UHFFFAOYSA-N 1 0 374.488 4.608 40 0 FJABRO Fc1ccc(Cc2cccc(C3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000072348817 571180184 /nfs/dbraw/zinc/18/01/84/571180184.db2.gz RYJRGJRGXIGXKY-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348821 571180201 /nfs/dbraw/zinc/18/02/01/571180201.db2.gz XBLNONSDNSXGDJ-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO Cc1ccccc1Cc1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072348849 571180337 /nfs/dbraw/zinc/18/03/37/571180337.db2.gz SWWVXDFJEDJLCI-UHFFFAOYSA-N 1 0 357.501 4.755 40 0 FJABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348860 571180519 /nfs/dbraw/zinc/18/05/19/571180519.db2.gz KFGVDMXOURLCTK-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1ccccc1Cc1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072348943 571180604 /nfs/dbraw/zinc/18/06/04/571180604.db2.gz FPPQYDHVIICLTM-IBGZPJMESA-N 1 0 361.464 4.586 40 0 FJABRO Fc1cccc(Cc2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000072348858 571180628 /nfs/dbraw/zinc/18/06/28/571180628.db2.gz GTWGVVRUJRWEBE-UHFFFAOYSA-N 1 0 361.464 4.586 40 0 FJABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348929 571180662 /nfs/dbraw/zinc/18/06/62/571180662.db2.gz QANGOWXZUMBYFP-LJQANCHMSA-N 1 0 359.473 4.532 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072356009 571182241 /nfs/dbraw/zinc/18/22/41/571182241.db2.gz YELBNIBNVOLEQM-HSZRJFAPSA-N 1 0 357.501 4.755 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072356021 571182467 /nfs/dbraw/zinc/18/24/67/571182467.db2.gz JIPHPLDEYRSMGI-JOCHJYFZSA-N 1 0 357.501 4.755 40 0 FJABRO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072358160 571183326 /nfs/dbraw/zinc/18/33/26/571183326.db2.gz XXUDICWLNLEGHV-NRFANRHFSA-N 1 0 356.897 4.642 40 0 FJABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369947 571185026 /nfs/dbraw/zinc/18/50/26/571185026.db2.gz NSDDVFNXBHCBQY-INIZCTEOSA-N 1 0 373.378 4.745 40 0 FJABRO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000072370667 571185405 /nfs/dbraw/zinc/18/54/05/571185405.db2.gz TWGNXGZBMVMTCE-KRWDZBQOSA-N 1 0 370.562 4.800 40 0 FJABRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375268 571185721 /nfs/dbraw/zinc/18/57/21/571185721.db2.gz PMWOFRNAUCNAMR-SFHVURJKSA-N 1 0 350.491 4.927 40 0 FJABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3C)n2)n1 ZINC000072375266 571185794 /nfs/dbraw/zinc/18/57/94/571185794.db2.gz OILZHIHCIHHKQN-NRFANRHFSA-N 1 0 373.504 4.878 40 0 FJABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376750 571186260 /nfs/dbraw/zinc/18/62/60/571186260.db2.gz FNXSINYEJKJKHM-FQEVSTJZSA-N 1 0 362.452 4.592 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072379073 571187446 /nfs/dbraw/zinc/18/74/46/571187446.db2.gz AZHMFIVJABZGPM-FQEVSTJZSA-N 1 0 364.468 4.867 40 0 FJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389983 571189262 /nfs/dbraw/zinc/18/92/62/571189262.db2.gz FZNMSZASNLAMLN-FQEVSTJZSA-N 1 0 362.477 4.635 40 0 FJABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1CC1CCCCC1 ZINC000585100660 571221368 /nfs/dbraw/zinc/22/13/68/571221368.db2.gz SCJXRRBOIPFENT-HSZRJFAPSA-N 1 0 360.586 4.994 40 0 FJABRO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)CC2)N1CC1CCCCC1 ZINC000585099955 571221860 /nfs/dbraw/zinc/22/18/60/571221860.db2.gz AUQYKOLSJRJCGD-XMMPIXPASA-N 1 0 368.565 4.657 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000009063017 571302354 /nfs/dbraw/zinc/30/23/54/571302354.db2.gz JIFYBDMUIXONPM-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062777 571302393 /nfs/dbraw/zinc/30/23/93/571302393.db2.gz PDBQACPZLBOBQA-UHFFFAOYSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000009062997 571302413 /nfs/dbraw/zinc/30/24/13/571302413.db2.gz BCXWJXDZYOBUSP-UHFFFAOYSA-N 1 0 358.485 4.999 40 0 FJABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063118 571302528 /nfs/dbraw/zinc/30/25/28/571302528.db2.gz CVXZLAFVZCAJDR-UHFFFAOYSA-N 1 0 372.896 4.508 40 0 FJABRO Cc1cc([C@H]2CCCCC[N@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119368 571303801 /nfs/dbraw/zinc/30/38/01/571303801.db2.gz QKSRVUXJRJEXMU-DNVCBOLYSA-N 1 0 356.466 4.508 40 0 FJABRO CCc1cccc(CC)c1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000018005073 571303832 /nfs/dbraw/zinc/30/38/32/571303832.db2.gz UMZPKTWTRCKGCA-UHFFFAOYSA-N 1 0 364.533 4.971 40 0 FJABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912828 571306324 /nfs/dbraw/zinc/30/63/24/571306324.db2.gz SVAWLAPZEJNREM-APWZRJJASA-N 1 0 368.908 4.530 40 0 FJABRO Cc1cccnc1Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccncc2)cn1 ZINC000257330006 210000140 /nfs/dbraw/zinc/00/01/40/210000140.db2.gz XMJTZQNBGMPHLX-HXUWFJFHSA-N 1 0 359.477 4.651 40 0 FJABRO O=C(Nc1ccccc1)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000257300064 209991715 /nfs/dbraw/zinc/99/17/15/209991715.db2.gz RSSYSCGFANWRQX-DEOSSOPVSA-N 1 0 356.469 4.515 40 0 FJABRO O=C(CCc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000224799949 222820146 /nfs/dbraw/zinc/82/01/46/222820146.db2.gz FVKDYXLVIUTXAK-UHFFFAOYSA-N 1 0 372.512 4.685 40 0 FJABRO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224537079 209787823 /nfs/dbraw/zinc/78/78/23/209787823.db2.gz FJEUFUSBMMEYQS-UHFFFAOYSA-N 1 0 364.533 4.538 40 0 FJABRO CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@@H]([NH3+])C[C@]4(C)[C@H]3CC[C@]12C ZINC000118915653 209348580 /nfs/dbraw/zinc/34/85/80/209348580.db2.gz ZSSPHCDGLYDLSV-SOTMMPOBSA-N 1 0 359.554 4.844 40 0 in-vitro FJABRO O=C1N(c2ccccc2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000109770382 209311757 /nfs/dbraw/zinc/31/17/57/209311757.db2.gz JCTJVPVCMMENRV-UHFFFAOYSA-N 1 0 374.509 4.960 40 0 FJABRO c1csc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)ncn3c2)c1 ZINC000306137089 223111275 /nfs/dbraw/zinc/11/12/75/223111275.db2.gz QLHQXDAOQNYOJP-GOSISDBHSA-N 1 0 360.486 4.795 40 0 FJABRO CC(=Cc1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000019014335 220233123 /nfs/dbraw/zinc/23/31/23/220233123.db2.gz AQKGRTSCYROUEQ-YDILYMIDSA-N 1 0 351.465 4.744 40 0 FJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(OC3CCCC3)c2)on1 ZINC000019120578 220237378 /nfs/dbraw/zinc/23/73/78/220237378.db2.gz MJCURIPJYDACFW-PGRDOPGGSA-N 1 0 354.494 4.805 40 0 FJABRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1ccncc1C)CC2 ZINC000019239530 220243859 /nfs/dbraw/zinc/24/38/59/220243859.db2.gz JZBCRFNHIGSIIL-DEOSSOPVSA-N 1 0 374.484 4.555 40 0 FJABRO CCC[C@@H](C[N@H+](CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000019366355 220253921 /nfs/dbraw/zinc/25/39/21/220253921.db2.gz UEQHUGUPZTYFLZ-QFIPXVFZSA-N 1 0 354.538 4.643 40 0 FJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1 ZINC000019454160 220257901 /nfs/dbraw/zinc/25/79/01/220257901.db2.gz VXFLEUOBDVRCOX-CZYKHXBRSA-N 1 0 365.521 4.671 40 0 FJABRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc1 ZINC000019522880 220265671 /nfs/dbraw/zinc/26/56/71/220265671.db2.gz IPFPYMLCZPQCPM-LJQANCHMSA-N 1 0 350.466 4.663 40 0 FJABRO O[C@H](c1cc(-c2cccc(Cl)c2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001596777 206889897 /nfs/dbraw/zinc/88/98/97/206889897.db2.gz RFNVOGZLEKVTMA-PZJWPPBQSA-N 1 0 352.865 4.731 40 0 FJABRO CCCCC[C@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710586 206893091 /nfs/dbraw/zinc/89/30/91/206893091.db2.gz VVSTZAZDPBEQSC-IBGZPJMESA-N 1 0 353.506 4.920 40 0 FJABRO CC[NH+](CC)CCCSCCCNc1cc(OC)cc2cccnc21 ZINC000001729637 206893662 /nfs/dbraw/zinc/89/36/62/206893662.db2.gz ZLKDFCKRFGFAKT-UHFFFAOYSA-N 1 0 361.555 4.511 40 0 FJABRO CCOC(=O)[C@H](c1ccccc1)N(CCC[NH+](CC)CC)c1ccccc1 ZINC000001712467 206893986 /nfs/dbraw/zinc/89/39/86/206893986.db2.gz PJUVQIWQLTZLSP-QFIPXVFZSA-N 1 0 368.521 4.529 40 0 FJABRO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+](CC(C)C)CC(C)C ZINC000004423735 207019347 /nfs/dbraw/zinc/01/93/47/207019347.db2.gz DCIJTLLVRIGZKD-UHFFFAOYSA-N 1 0 372.553 4.985 40 0 FJABRO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000005164652 207084414 /nfs/dbraw/zinc/08/44/14/207084414.db2.gz HMOJGKUPOBIJBW-TZRRMPRUSA-N 1 0 365.517 4.872 40 0 FJABRO CCCCC[C@@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000005550819 207104775 /nfs/dbraw/zinc/10/47/75/207104775.db2.gz VVSTZAZDPBEQSC-LJQANCHMSA-N 1 0 353.506 4.920 40 0 FJABRO O=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289452 207115526 /nfs/dbraw/zinc/11/55/26/207115526.db2.gz LYTJUAPBQQFQRY-AYHJJNSGSA-N 1 0 369.896 4.657 40 0 FJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Br)ccc21 ZINC000008580722 207236064 /nfs/dbraw/zinc/23/60/64/207236064.db2.gz GDCDHNUYXXZRKA-CQSZACIVSA-N 1 0 364.331 4.920 40 0 FJABRO CC1(C)CC(N(Cc2ccc(F)cc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740457 208170835 /nfs/dbraw/zinc/17/08/35/208170835.db2.gz VLUJJRYSNUUFFD-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038833711 208206644 /nfs/dbraw/zinc/20/66/44/208206644.db2.gz DUAQDBYMTMKOTO-LJQANCHMSA-N 1 0 354.469 4.800 40 0 FJABRO CCc1cccc(CC)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038856216 208208066 /nfs/dbraw/zinc/20/80/66/208208066.db2.gz QNFDNAPVAVCKIE-FQEVSTJZSA-N 1 0 368.496 4.801 40 0 FJABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000075279221 208194813 /nfs/dbraw/zinc/19/48/13/208194813.db2.gz QWQRGWMBWMYNRI-PMOQBDJRSA-N 1 0 373.581 4.533 40 0 FJABRO CCOc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038834318 208205206 /nfs/dbraw/zinc/20/52/06/208205206.db2.gz YPECPTAEEFQRBL-QGZVFWFLSA-N 1 0 352.478 4.570 40 0 FJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000044935798 208321550 /nfs/dbraw/zinc/32/15/50/208321550.db2.gz IPVHGRBOBASPLL-QFIPXVFZSA-N 1 0 368.496 4.614 40 0 FJABRO CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911198 208322599 /nfs/dbraw/zinc/32/25/99/208322599.db2.gz OJLGYLLGVRDTBV-QGZVFWFLSA-N 1 0 372.896 4.589 40 0 FJABRO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044938643 208323076 /nfs/dbraw/zinc/32/30/76/208323076.db2.gz FCHHDGPKZHMMSA-UHFFFAOYSA-N 1 0 372.509 4.788 40 0 FJABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905817 208323131 /nfs/dbraw/zinc/32/31/31/208323131.db2.gz XZCUHMYUXOJJOH-AZUAARDMSA-N 1 0 368.496 4.532 40 0 FJABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000049171219 221021107 /nfs/dbraw/zinc/02/11/07/221021107.db2.gz DNINZFNHGMOOCT-FQEVSTJZSA-N 1 0 368.484 4.625 40 0 biogenic,in-vitro FJABRO Cc1ccc2cc(CNc3ccc([NH+]4CCCCCC4)cc3)c(=O)[nH]c2c1 ZINC000072396137 221494552 /nfs/dbraw/zinc/49/45/52/221494552.db2.gz OOVSTHBIPBTBMU-UHFFFAOYSA-N 1 0 361.489 4.829 40 0 FJABRO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CCCCC2)[nH+]1 ZINC000329023013 132372575 /nfs/dbraw/zinc/37/25/75/132372575.db2.gz OQGRCODUGFKZMY-UHFFFAOYSA-N 1 0 350.510 4.827 40 0 FJABRO Clc1cccc(CN2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000096214651 222079842 /nfs/dbraw/zinc/07/98/42/222079842.db2.gz SIYWCZUMGLFFJI-QFIPXVFZSA-N 1 0 354.925 4.971 40 0 FJABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000100750201 222252366 /nfs/dbraw/zinc/25/23/66/222252366.db2.gz LARSFAQXRPZVNA-MZKRTTBSSA-N 1 0 371.569 4.577 40 0 FJABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)o2)cc1 ZINC000007538761 263351895 /nfs/dbraw/zinc/35/18/95/263351895.db2.gz MZJKJNVNCQXULN-UHFFFAOYSA-N 1 0 365.473 4.648 40 0 FJABRO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039755093 263399539 /nfs/dbraw/zinc/39/95/39/263399539.db2.gz XNKSOIWQSQCPIP-UHFFFAOYSA-N 1 0 354.519 4.568 40 0 FJABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039752480 263399549 /nfs/dbraw/zinc/39/95/49/263399549.db2.gz CVONXFXCGPLGDD-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000039748917 263399702 /nfs/dbraw/zinc/39/97/02/263399702.db2.gz HEZZVAVBJJUEJT-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO COc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)cc1 ZINC000257264889 533809288 /nfs/dbraw/zinc/80/92/88/533809288.db2.gz LWKBGBIOLKYXEO-XMMPIXPASA-N 1 0 373.500 4.803 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000020495701 520752754 /nfs/dbraw/zinc/75/27/54/520752754.db2.gz FOGCORYEMRTUKN-OAHLLOKOSA-N 1 0 360.885 4.588 40 0 FJABRO Fc1cccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)c1 ZINC000257261066 534520101 /nfs/dbraw/zinc/52/01/01/534520101.db2.gz LFONACNQQXKNHX-QHCPKHFHSA-N 1 0 361.464 4.934 40 0 FJABRO c1csc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306123359 534520962 /nfs/dbraw/zinc/52/09/62/534520962.db2.gz AKXDYIKPQILULJ-LJQANCHMSA-N 1 0 360.486 4.795 40 0 FJABRO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020110668 522895258 /nfs/dbraw/zinc/89/52/58/522895258.db2.gz LIGCZWBJGVKQTD-FQEVSTJZSA-N 1 0 354.494 4.633 40 0 FJABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000020108844 523051429 /nfs/dbraw/zinc/05/14/29/523051429.db2.gz ITSZIQIVKITOJI-HXUWFJFHSA-N 1 0 374.912 4.978 40 0 FJABRO CC(C)n1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccoc2)CC1 ZINC000306129620 528653032 /nfs/dbraw/zinc/65/30/32/528653032.db2.gz IIIYYUYTDWLIRP-UHFFFAOYSA-N 1 0 363.461 4.608 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216277497 568116158 /nfs/dbraw/zinc/11/61/58/568116158.db2.gz GDTNVMDIOZZKDY-MOPGFXCFSA-N 1 0 350.506 4.718 40 0 FJABRO CCc1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774229 568299304 /nfs/dbraw/zinc/29/93/04/568299304.db2.gz NFUVFUPZSMGRAP-VURPSTOHSA-N 1 0 355.913 4.754 40 0 FJABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000223469444 568659205 /nfs/dbraw/zinc/65/92/05/568659205.db2.gz AFZWNSJKKWETDI-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO c1nc(Nc2ccc(CC[C@@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263014 570481609 /nfs/dbraw/zinc/48/16/09/570481609.db2.gz VKLSTPFVXJCAQN-KRWDZBQOSA-N 1 0 350.491 4.633 40 0 FJABRO COc1ccc(CC[N@H+](C)[C@@H](C)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000001557578 570501764 /nfs/dbraw/zinc/50/17/64/570501764.db2.gz OYYPFWBWRHXFKJ-YJQWLVMKSA-N 1 0 357.538 4.639 40 0 FJABRO COc1ccc2oc(-c3ccc(Cl)cc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000001590392 570502493 /nfs/dbraw/zinc/50/24/93/570502493.db2.gz XFFHKFCSJZQSMK-UHFFFAOYSA-N 1 0 356.853 4.514 40 0 FJABRO CC[NH+](CC)CCOC(=O)C(c1ccccc1)(c1ccccc1)C(C)C ZINC000001653058 570503609 /nfs/dbraw/zinc/50/36/09/570503609.db2.gz UQBXFGGAJJFSGI-UHFFFAOYSA-N 1 0 353.506 4.514 40 0 FJABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215614 570527773 /nfs/dbraw/zinc/52/77/73/570527773.db2.gz KJXMQVPOIUMVRT-SFHVURJKSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215385 570531544 /nfs/dbraw/zinc/53/15/44/570531544.db2.gz FNJJITFJKSYNPR-GOSISDBHSA-N 1 0 359.514 4.778 40 0 FJABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215501 570531579 /nfs/dbraw/zinc/53/15/79/570531579.db2.gz BRJSBHIDSZRVOO-GOSISDBHSA-N 1 0 359.514 4.921 40 0 FJABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215502 570531710 /nfs/dbraw/zinc/53/17/10/570531710.db2.gz BRJSBHIDSZRVOO-SFHVURJKSA-N 1 0 359.514 4.921 40 0 FJABRO C[N@@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215577 570532086 /nfs/dbraw/zinc/53/20/86/570532086.db2.gz OLWOHLVAFVNJFR-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO Cc1ccccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408610594 570582708 /nfs/dbraw/zinc/58/27/08/570582708.db2.gz QKRXMBHWRUCNKQ-UHFFFAOYSA-N 1 0 362.517 4.513 40 0 FJABRO CC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3s2)c1 ZINC000226776790 570611311 /nfs/dbraw/zinc/61/13/11/570611311.db2.gz MIUIHGWPCCTWBD-UHFFFAOYSA-N 1 0 354.680 4.687 40 0 FJABRO C[NH+](C)C1c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000004975123 570615154 /nfs/dbraw/zinc/61/51/54/570615154.db2.gz HIFHIAOZCKAFPA-UHFFFAOYSA-N 1 0 367.084 4.843 40 0 FJABRO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)CSCC[NH3+] ZINC000253596372 570626137 /nfs/dbraw/zinc/62/61/37/570626137.db2.gz QNALNJDVSSJNFL-UNHJQWNMSA-N 1 0 365.627 4.842 40 0 FJABRO C[N@H+]1C[C@H](c2cc(Cl)ccc2O)[C@@H](c2ccccc2Br)C1 ZINC000137684689 570631855 /nfs/dbraw/zinc/63/18/55/570631855.db2.gz NXKADSGVHJFCNG-HUUCEWRRSA-N 1 0 366.686 4.621 40 0 FJABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000035292356 570638917 /nfs/dbraw/zinc/63/89/17/570638917.db2.gz AHSYATVYHAXTJO-JLYLLQBASA-N 1 0 371.525 4.535 40 0 FJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccc(Cl)cc1 ZINC000004888081 570672764 /nfs/dbraw/zinc/67/27/64/570672764.db2.gz TUEOKNBERHQRRE-AYHJJNSGSA-N 1 0 374.937 4.717 40 0 FJABRO Cc1ccc([C@@H]2C=C(c3ccc(Cl)c(Cl)c3)[NH+]=C3N=CNN32)cc1 ZINC000409061611 570717515 /nfs/dbraw/zinc/71/75/15/570717515.db2.gz YJKSIYCEUJMNMH-KRWDZBQOSA-N 1 0 357.244 4.602 40 0 FJABRO O=C(Nc1cccc(F)c1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000113934910 570826205 /nfs/dbraw/zinc/82/62/05/570826205.db2.gz ZLLMHWATGXPTTP-UHFFFAOYSA-N 1 0 360.432 4.636 40 0 FJABRO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019339158 570886080 /nfs/dbraw/zinc/88/60/80/570886080.db2.gz BKQDBMYLPSAGDU-HXUWFJFHSA-N 1 0 351.425 4.993 40 0 FJABRO CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1 ZINC000019450793 570889109 /nfs/dbraw/zinc/88/91/09/570889109.db2.gz QJZDZHMJRVUOFQ-LIMIJEPZSA-N 1 0 369.480 4.628 40 0 FJABRO CC(C)c1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019453202 570889186 /nfs/dbraw/zinc/88/91/86/570889186.db2.gz QPQNIFSIZCPBET-UHFFFAOYSA-N 1 0 362.477 4.635 40 0 FJABRO CCOc1cc2c(cc1C[NH2+]C1(c3ccccc3F)CCCC1)OCO2 ZINC000019532545 570892102 /nfs/dbraw/zinc/89/21/02/570892102.db2.gz KSEIZNYPNYKXAC-UHFFFAOYSA-N 1 0 357.425 4.512 40 0 FJABRO O=C(CCc1cccc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224514828 570991885 /nfs/dbraw/zinc/99/18/85/570991885.db2.gz HUVGBBQULLRTLB-UHFFFAOYSA-N 1 0 372.512 4.685 40 0 FJABRO CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224841448 571002393 /nfs/dbraw/zinc/00/23/93/571002393.db2.gz LTKBKQNNBHGLCW-UHFFFAOYSA-N 1 0 368.546 4.715 40 0 FJABRO CCOc1ccc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1OCC ZINC000225063053 571011902 /nfs/dbraw/zinc/01/19/02/571011902.db2.gz HSUMKJZJDGPWET-UHFFFAOYSA-N 1 0 370.493 4.578 40 0 FJABRO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039760835 571023040 /nfs/dbraw/zinc/02/30/40/571023040.db2.gz ILRFQJUXZBQFRD-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039763146 571023439 /nfs/dbraw/zinc/02/34/39/571023439.db2.gz UDBTYGRXTYPXHB-UHFFFAOYSA-N 1 0 362.448 4.830 40 0 FJABRO O=C(Nc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768395 571024192 /nfs/dbraw/zinc/02/41/92/571024192.db2.gz WLTRBFKRPKMMPB-UHFFFAOYSA-N 1 0 362.448 4.830 40 0 FJABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039756036 571024992 /nfs/dbraw/zinc/02/49/92/571024992.db2.gz MSJSYMYLODOFJA-UHFFFAOYSA-N 1 0 350.506 4.717 40 0 FJABRO CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220648 571027723 /nfs/dbraw/zinc/02/77/23/571027723.db2.gz RPILTHHQYJLIRL-GOSISDBHSA-N 1 0 356.897 4.753 40 0 FJABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220840 571027920 /nfs/dbraw/zinc/02/79/20/571027920.db2.gz GGOGEQKTRJDWKH-KRWDZBQOSA-N 1 0 372.896 4.508 40 0 FJABRO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000030854689 571051279 /nfs/dbraw/zinc/05/12/79/571051279.db2.gz COBBGLFIIWYUEY-LJQANCHMSA-N 1 0 374.912 4.978 40 0 FJABRO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030943895 571052717 /nfs/dbraw/zinc/05/27/17/571052717.db2.gz VXVQULKHMRGQFI-HXUWFJFHSA-N 1 0 364.533 4.814 40 0 FJABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030938639 571052727 /nfs/dbraw/zinc/05/27/27/571052727.db2.gz CNWAKTILVDNPGX-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000030940424 571052867 /nfs/dbraw/zinc/05/28/67/571052867.db2.gz WFZQRQCFYHRCOD-UHFFFAOYSA-N 1 0 366.505 4.958 40 0 FJABRO C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]CCCCCCO ZINC000033703533 571066589 /nfs/dbraw/zinc/06/65/89/571066589.db2.gz DPRSBWGNESQTLG-LSBAASHUSA-N 1 0 371.565 4.759 40 0 FJABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833338 571087077 /nfs/dbraw/zinc/08/70/77/571087077.db2.gz VZGCPNLIKRYNKH-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834282 571087220 /nfs/dbraw/zinc/08/72/20/571087220.db2.gz FERWOKBIOOTKRM-QGZVFWFLSA-N 1 0 372.896 4.589 40 0 FJABRO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000038850250 571087749 /nfs/dbraw/zinc/08/77/49/571087749.db2.gz DOMSFZWBQBNVPG-UHFFFAOYSA-N 1 0 372.896 4.977 40 0 FJABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 ZINC000038835745 571087828 /nfs/dbraw/zinc/08/78/28/571087828.db2.gz KBNNEAXJUSVFJU-INIZCTEOSA-N 1 0 369.336 4.608 40 0 FJABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2ncccc2c1 ZINC000043277829 571100083 /nfs/dbraw/zinc/10/00/83/571100083.db2.gz HAQBZLDIFJCXLW-UHFFFAOYSA-N 1 0 374.463 4.663 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000044856350 571103135 /nfs/dbraw/zinc/10/31/35/571103135.db2.gz GGONBHICEPJMJY-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000044904594 571104548 /nfs/dbraw/zinc/10/45/48/571104548.db2.gz RBTGBOOTDIDVPA-LJQANCHMSA-N 1 0 368.521 4.860 40 0 FJABRO CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(C2CC2)n1 ZINC000329038650 571108173 /nfs/dbraw/zinc/10/81/73/571108173.db2.gz RTVXGOKVBRHBDV-UHFFFAOYSA-N 1 0 367.280 4.742 40 0 FJABRO Fc1cc(F)cc(-c2cnc(Nc3cc(C4CC[NH2+]CC4)ccn3)s2)c1 ZINC000143350039 571114507 /nfs/dbraw/zinc/11/45/07/571114507.db2.gz DOQGBTOQCWABKM-UHFFFAOYSA-N 1 0 372.444 4.694 40 0 FJABRO Brc1ccccc1-c1nc2cc(C[NH+]3CCCC3)ccc2o1 ZINC000216791290 571141582 /nfs/dbraw/zinc/14/15/82/571141582.db2.gz UIPWHRIJJXPYPN-UHFFFAOYSA-N 1 0 357.251 4.853 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000257224477 571151846 /nfs/dbraw/zinc/15/18/46/571151846.db2.gz FBZHGGIGOFZIIC-KRWDZBQOSA-N 1 0 367.468 4.779 40 0 FJABRO CCOc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCS3)cc1 ZINC000026441534 571162786 /nfs/dbraw/zinc/16/27/86/571162786.db2.gz FQDJHSIKNLFIOF-UHFFFAOYSA-N 1 0 351.495 4.635 40 0 FJABRO Fc1cccc(Cc2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348822 571180302 /nfs/dbraw/zinc/18/03/02/571180302.db2.gz XBLNONSDNSXGDJ-FQEVSTJZSA-N 1 0 361.464 4.586 40 0 FJABRO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350006 571181384 /nfs/dbraw/zinc/18/13/84/571181384.db2.gz UGEBJZDCYIRNSA-KRWDZBQOSA-N 1 0 366.896 4.515 40 0 FJABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358382 571183592 /nfs/dbraw/zinc/18/35/92/571183592.db2.gz FXUSMWKANQPVPF-QGZVFWFLSA-N 1 0 365.427 4.801 40 0 FJABRO CCc1nccn1-c1cccc(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000072378673 571186877 /nfs/dbraw/zinc/18/68/77/571186877.db2.gz LOXSVIQXCVNGNI-UHFFFAOYSA-N 1 0 374.532 4.642 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379146 571187555 /nfs/dbraw/zinc/18/75/55/571187555.db2.gz XFJJRMOXXKMFIO-SFHVURJKSA-N 1 0 352.526 4.903 40 0 FJABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1CC1CCCCC1 ZINC000585100661 571221376 /nfs/dbraw/zinc/22/13/76/571221376.db2.gz SCJXRRBOIPFENT-QHCPKHFHSA-N 1 0 360.586 4.994 40 0 FJABRO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 ZINC000009062686 571302333 /nfs/dbraw/zinc/30/23/33/571302333.db2.gz ZCGSMDFXTMZCJS-UHFFFAOYSA-N 1 0 368.908 4.531 40 0 FJABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225596981 209822824 /nfs/dbraw/zinc/82/28/24/209822824.db2.gz DAXQZTJSXTZCFM-HDICACEKSA-N 1 0 358.526 4.562 40 0 FJABRO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532534 222814417 /nfs/dbraw/zinc/81/44/17/222814417.db2.gz HEVMLTVGKRSBKS-KRWDZBQOSA-N 1 0 364.961 4.885 40 0 FJABRO O=C(CCc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224527345 222815117 /nfs/dbraw/zinc/81/51/17/222815117.db2.gz CYCKQWUFFIFPAR-UHFFFAOYSA-N 1 0 370.924 4.575 40 0 FJABRO Cc1cccc(Nc2cncc(C3CC[NH+](CC4CCCCC4)CC3)n2)n1 ZINC000257238983 223032983 /nfs/dbraw/zinc/03/29/83/223032983.db2.gz HNKMRTREOQPBHA-UHFFFAOYSA-N 1 0 365.525 4.683 40 0 FJABRO Fc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257252411 223038985 /nfs/dbraw/zinc/03/89/85/223038985.db2.gz JURWBQMIZAOBOE-HSZRJFAPSA-N 1 0 361.464 4.934 40 0 FJABRO Oc1cccc2c1OC1(CC[NH+](CC3CCCCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000257259031 223041447 /nfs/dbraw/zinc/04/14/47/223041447.db2.gz KWNPORGABZTQFR-PZJWPPBQSA-N 1 0 371.521 4.667 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257296860 223055412 /nfs/dbraw/zinc/05/54/12/223055412.db2.gz REQSIJQVUNWRST-KRWDZBQOSA-N 1 0 369.484 4.631 40 0 FJABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257321955 223064488 /nfs/dbraw/zinc/06/44/88/223064488.db2.gz WEBHFOLIZHNEOU-SFHVURJKSA-N 1 0 370.456 4.583 40 0 FJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)[nH+]1 ZINC000257337661 223071006 /nfs/dbraw/zinc/07/10/06/223071006.db2.gz YTVGKSDJXYLQRS-MRXNPFEDSA-N 1 0 355.457 4.635 40 0 FJABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000004907174 209429948 /nfs/dbraw/zinc/42/99/48/209429948.db2.gz CAGJYPPSBOQDCU-KRWDZBQOSA-N 1 0 352.522 4.960 40 0 FJABRO CC1(C)[C@H](c2ccccc2)[N+](=O)C(c2ccccc2)=C(c2ccccc2)N1O ZINC000100314760 209212148 /nfs/dbraw/zinc/21/21/48/209212148.db2.gz SYFPJEMOIBKXSD-QHCPKHFHSA-N 1 0 370.452 4.519 40 0 FJABRO Fc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000013562959 220074329 /nfs/dbraw/zinc/07/43/29/220074329.db2.gz HSBAYIHQSCXMDL-ILBGXUMGSA-N 1 0 374.503 4.974 40 0 FJABRO CCCSc1ncc(C[NH2+]C2(c3ccccc3OC)CCCC2)cn1 ZINC000013998298 220101259 /nfs/dbraw/zinc/10/12/59/220101259.db2.gz SBLPDCJYNBAHHH-UHFFFAOYSA-N 1 0 357.523 4.546 40 0 FJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)o2)s1 ZINC000019217594 220240957 /nfs/dbraw/zinc/24/09/57/220240957.db2.gz HBBAPVCHBWCYKO-GOSISDBHSA-N 1 0 367.518 4.919 40 0 FJABRO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc3ncccc23)n1 ZINC000019293254 220246866 /nfs/dbraw/zinc/24/68/66/220246866.db2.gz HIJWZVVSGSBEQL-GOSISDBHSA-N 1 0 351.500 4.826 40 0 FJABRO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)on2)cc1 ZINC000019339154 220251897 /nfs/dbraw/zinc/25/18/97/220251897.db2.gz BKQDBMYLPSAGDU-FQEVSTJZSA-N 1 0 351.425 4.993 40 0 FJABRO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1 ZINC000019522881 220265640 /nfs/dbraw/zinc/26/56/40/220265640.db2.gz IPFPYMLCZPQCPM-IBGZPJMESA-N 1 0 350.466 4.663 40 0 FJABRO CC1=C[C@@H](C)[C@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@H](C)C1 ZINC000004670475 207036863 /nfs/dbraw/zinc/03/68/63/207036863.db2.gz BTSDULYOJUKWAH-SBHAEUEKSA-N 1 0 357.542 4.711 40 0 FJABRO CC[NH+](CC)CCCNc1ncnc2c1[C@@H](c1ccccc1)c1ccccc1-2 ZINC000004990929 207068750 /nfs/dbraw/zinc/06/87/50/207068750.db2.gz JMYXGRPOCSHCQW-NRFANRHFSA-N 1 0 372.516 4.781 40 0 FJABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C(C)(C)C)CC3)[nH+]c12 ZINC000012128006 207341520 /nfs/dbraw/zinc/34/15/20/207341520.db2.gz CJKPUPUDISBLIX-UHFFFAOYSA-N 1 0 370.541 4.605 40 0 FJABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000038849679 208208654 /nfs/dbraw/zinc/20/86/54/208208654.db2.gz VLQOQLBGIJBJLD-INIZCTEOSA-N 1 0 360.860 4.638 40 0 FJABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000038835178 208205001 /nfs/dbraw/zinc/20/50/01/208205001.db2.gz LJTUGGUWKCUQJC-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856554 208319592 /nfs/dbraw/zinc/31/95/92/208319592.db2.gz YCUOZQKVOIBLKN-JOCHJYFZSA-N 1 0 350.506 4.780 40 0 FJABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934851 208321881 /nfs/dbraw/zinc/32/18/81/208321881.db2.gz YWLNRFLHNUCKAM-UYAOXDASSA-N 1 0 368.496 4.532 40 0 FJABRO O=C(NCCCc1ccc(F)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044906554 208322203 /nfs/dbraw/zinc/32/22/03/208322203.db2.gz YCPJBRYKTODPMR-UHFFFAOYSA-N 1 0 368.496 4.564 40 0 FJABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295138 533072115 /nfs/dbraw/zinc/07/21/15/533072115.db2.gz QXDIESUTBMCXKD-NRFANRHFSA-N 1 0 374.488 4.531 40 0 FJABRO CSc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020043774 220310710 /nfs/dbraw/zinc/31/07/10/220310710.db2.gz HBKALLBXOQQKNQ-MRXNPFEDSA-N 1 0 354.519 4.893 40 0 FJABRO c1cc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cs1 ZINC000096038170 209098513 /nfs/dbraw/zinc/09/85/13/209098513.db2.gz BFZXQCZLQRCVIE-UHFFFAOYSA-N 1 0 374.513 4.837 40 0 FJABRO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044933081 220965050 /nfs/dbraw/zinc/96/50/50/220965050.db2.gz JCPUNRHGILBFIT-HSZRJFAPSA-N 1 0 362.517 4.870 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049169893 221021039 /nfs/dbraw/zinc/02/10/39/221021039.db2.gz RTTKHPCFRKPFEI-KRWDZBQOSA-N 1 0 353.853 4.688 40 0 biogenic,in-vitro FJABRO CCc1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057774224 221092662 /nfs/dbraw/zinc/09/26/62/221092662.db2.gz NFUVFUPZSMGRAP-FMWKFLBASA-N 1 0 355.913 4.754 40 0 FJABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065858823 221237083 /nfs/dbraw/zinc/23/70/83/221237083.db2.gz FFYMOPMLQLGKMR-UHFFFAOYSA-N 1 0 370.496 4.789 40 0 FJABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCCC2)[nH+]1 ZINC000328984898 132372158 /nfs/dbraw/zinc/37/21/58/132372158.db2.gz HQGRNGAWEMRPTI-UHFFFAOYSA-N 1 0 350.510 4.871 40 0 FJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Br ZINC000017076402 263372300 /nfs/dbraw/zinc/37/23/00/263372300.db2.gz WWGSGVQFDYSVKM-UHFFFAOYSA-N 1 0 373.294 4.687 40 0 FJABRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)[NH3+])[C@@]4(C)CC[C@@H]32)C1 ZINC000122613290 263454733 /nfs/dbraw/zinc/45/47/33/263454733.db2.gz VJYVCSBIXCOHFV-FUQXPARBSA-N 1 0 361.570 4.924 40 0 FJABRO Cc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020459176 524318347 /nfs/dbraw/zinc/31/83/47/524318347.db2.gz CFMUEJMTWZMMFO-FQEVSTJZSA-N 1 0 364.533 4.590 40 0 FJABRO O=C(NCCC[NH+]1CCCCCC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000003789001 560189459 /nfs/dbraw/zinc/18/94/59/560189459.db2.gz AGKAAJMNNVUNDK-QFIPXVFZSA-N 1 0 356.554 4.733 40 0 in-vitro FJABRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000008636113 560210551 /nfs/dbraw/zinc/21/05/51/560210551.db2.gz REQSPCSALKVXQA-TZIWHRDSSA-N 1 0 361.464 4.830 40 0 biogenic,in-vitro FJABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2ccccc21 ZINC000023247757 568394074 /nfs/dbraw/zinc/39/40/74/568394074.db2.gz BMCBLHUPAOEDFM-HSZRJFAPSA-N 1 0 359.517 4.721 40 0 FJABRO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000222613972 568545533 /nfs/dbraw/zinc/54/55/33/568545533.db2.gz JVYGXPPIDOXBOC-IBGZPJMESA-N 1 0 364.533 4.972 40 0 FJABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](C2CCCC2)CC1 ZINC000585281689 570491752 /nfs/dbraw/zinc/49/17/52/570491752.db2.gz PDSHDCDBPSQWDJ-GOSISDBHSA-N 1 0 358.309 4.532 40 0 FJABRO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCC[N@H+](CC2)[C@H]31 ZINC000001587372 570502628 /nfs/dbraw/zinc/50/26/28/570502628.db2.gz JSWHPWDJHXROFD-NYHFZMIOSA-N 1 0 360.457 4.642 40 0 FJABRO C[NH+](C)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001758887 570506840 /nfs/dbraw/zinc/50/68/40/570506840.db2.gz OAKNQOGRECTGTA-JOCHJYFZSA-N 1 0 359.469 4.665 40 0 FJABRO C[C@H]([NH2+]CC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 ZINC000001844846 570508584 /nfs/dbraw/zinc/50/85/84/570508584.db2.gz JQSHEDRVRBSFCZ-YWZLYKJASA-N 1 0 355.528 4.953 40 0 in-man FJABRO O[C@@](CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1 ZINC000001995665 570511490 /nfs/dbraw/zinc/51/14/90/570511490.db2.gz NDAKMAPCTFMTSY-AOMIVXANSA-N 1 0 355.547 4.691 40 0 FJABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215326 570530973 /nfs/dbraw/zinc/53/09/73/570530973.db2.gz SOYGEFNYRVQWTR-SFHVURJKSA-N 1 0 359.514 4.778 40 0 FJABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215400 570531386 /nfs/dbraw/zinc/53/13/86/570531386.db2.gz IJQWYGMZODBDSX-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215728 570532898 /nfs/dbraw/zinc/53/28/98/570532898.db2.gz OCCFIILAKZILJW-GOSISDBHSA-N 1 0 359.514 4.923 40 0 FJABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[NH2+]2)cn1)C1CCCCC1 ZINC000072215694 570532922 /nfs/dbraw/zinc/53/29/22/570532922.db2.gz ZMWOCFFAENDUAQ-SFHVURJKSA-N 1 0 359.514 4.970 40 0 FJABRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044933554 570539249 /nfs/dbraw/zinc/53/92/49/570539249.db2.gz GDTNVMDIOZZKDY-OALUTQOASA-N 1 0 350.506 4.718 40 0 FJABRO CC[NH+](CC)CCCN(c1ccccc1)[C@@H]1Cc2ccccc2[C@H]1OC ZINC000004213906 570581434 /nfs/dbraw/zinc/58/14/34/570581434.db2.gz QQGGXAOUSKREAE-DHIUTWEWSA-N 1 0 352.522 4.537 40 0 FJABRO Cc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000408613745 570581858 /nfs/dbraw/zinc/58/18/58/570581858.db2.gz ZXDOYTDKEQUGJR-UHFFFAOYSA-N 1 0 362.517 4.513 40 0 FJABRO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257242788 570627311 /nfs/dbraw/zinc/62/73/11/570627311.db2.gz IEDDTNADODFDPJ-DTULOEDASA-N 1 0 370.537 4.528 40 0 FJABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000408726143 570679467 /nfs/dbraw/zinc/67/94/67/570679467.db2.gz QEKMHHQHNMQUIF-GHRIWEEISA-N 1 0 364.486 4.722 40 0 FJABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000008677153 570684755 /nfs/dbraw/zinc/68/47/55/570684755.db2.gz GIDUUQQNNWXFDI-YQQQUEKLSA-N 1 0 359.583 4.631 40 0 FJABRO COc1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008700910 570685342 /nfs/dbraw/zinc/68/53/42/570685342.db2.gz UFRQGZAOHIQFKU-NYHFZMIOSA-N 1 0 354.494 4.658 40 0 FJABRO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+](C)Cc2ccccc2)cc1 ZINC000012144232 570722200 /nfs/dbraw/zinc/72/22/00/570722200.db2.gz NDHGYOZNGOVOST-UHFFFAOYSA-N 1 0 357.457 4.871 40 0 FJABRO COc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3Cc3cc(C)no3)ccc2c1 ZINC000012366535 570739216 /nfs/dbraw/zinc/73/92/16/570739216.db2.gz VKZYXRMRLDXQIT-SIKLNZKXSA-N 1 0 350.462 4.646 40 0 FJABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000006949599 570785974 /nfs/dbraw/zinc/78/59/74/570785974.db2.gz POWCLHXLQIRFLI-UHFFFAOYSA-N 1 0 360.885 4.508 40 0 FJABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000008253152 570794160 /nfs/dbraw/zinc/79/41/60/570794160.db2.gz IJUPHUFXUDERAJ-UHFFFAOYSA-N 1 0 369.914 4.505 40 0 FJABRO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)nc1 ZINC000019215514 570881964 /nfs/dbraw/zinc/88/19/64/570881964.db2.gz HROFPFRIHGCVTD-KKSFZXQISA-N 1 0 364.514 4.849 40 0 FJABRO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000019213979 570881985 /nfs/dbraw/zinc/88/19/85/570881985.db2.gz AQTQGYKRWNJDIH-LJQANCHMSA-N 1 0 350.466 4.717 40 0 FJABRO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1-n1cccn1 ZINC000019237651 570883569 /nfs/dbraw/zinc/88/35/69/570883569.db2.gz CIRVADQAFPPWKM-FQEVSTJZSA-N 1 0 374.513 4.711 40 0 FJABRO c1[nH]nc(-c2ccccc2)c1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019371157 570888034 /nfs/dbraw/zinc/88/80/34/570888034.db2.gz ORURLZWZMGJGNN-UHFFFAOYSA-N 1 0 368.484 4.717 40 0 FJABRO Cc1ncc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715797 570899770 /nfs/dbraw/zinc/89/97/70/570899770.db2.gz SSUFKWBBKPVXKR-MRXNPFEDSA-N 1 0 354.523 4.762 40 0 FJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000005254865 570955625 /nfs/dbraw/zinc/95/56/25/570955625.db2.gz WGYUNJBUDLXZGQ-PMVMPFDFSA-N 1 0 369.480 4.703 40 0 FJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000224592286 570994005 /nfs/dbraw/zinc/99/40/05/570994005.db2.gz POJQUCHUJPFIQL-UHFFFAOYSA-N 1 0 370.496 4.879 40 0 FJABRO CC(C)c1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225230805 571022961 /nfs/dbraw/zinc/02/29/61/571022961.db2.gz LSVGBOBHNIFVAY-UHFFFAOYSA-N 1 0 373.591 4.823 40 0 FJABRO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039761042 571023014 /nfs/dbraw/zinc/02/30/14/571023014.db2.gz GPNUIJWQSJMPKA-UHFFFAOYSA-N 1 0 372.896 4.589 40 0 FJABRO Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC000039760874 571023172 /nfs/dbraw/zinc/02/31/72/571023172.db2.gz IHPPAIVHWSFLHN-UHFFFAOYSA-N 1 0 354.469 4.602 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000039761933 571023514 /nfs/dbraw/zinc/02/35/14/571023514.db2.gz DYUOIQZCSCVIDE-UHFFFAOYSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000039759255 571026266 /nfs/dbraw/zinc/02/62/66/571026266.db2.gz PMPGRINQZWMGFA-UHFFFAOYSA-N 1 0 350.506 4.969 40 0 FJABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220563 571027684 /nfs/dbraw/zinc/02/76/84/571027684.db2.gz NMGLLLMYBLLZQZ-QGZVFWFLSA-N 1 0 372.896 4.589 40 0 FJABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220835 571027895 /nfs/dbraw/zinc/02/78/95/571027895.db2.gz GGOGEQKTRJDWKH-QGZVFWFLSA-N 1 0 372.896 4.508 40 0 FJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000030556561 571048070 /nfs/dbraw/zinc/04/80/70/571048070.db2.gz PQJCRMANHFGJES-UHFFFAOYSA-N 1 0 363.288 4.519 40 0 FJABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225597423 571048272 /nfs/dbraw/zinc/04/82/72/571048272.db2.gz MACYHVTYEPJZJL-GOSISDBHSA-N 1 0 358.526 4.849 40 0 FJABRO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944009 571053473 /nfs/dbraw/zinc/05/34/73/571053473.db2.gz VQORJZJXOCTZCI-SFHVURJKSA-N 1 0 362.945 4.781 40 0 FJABRO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225903002 571078835 /nfs/dbraw/zinc/07/88/35/571078835.db2.gz YLDSAOSSRHKURE-HNNXBMFYSA-N 1 0 363.288 4.844 40 0 FJABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000036740471 571081451 /nfs/dbraw/zinc/08/14/51/571081451.db2.gz NMUWXXSPOGGRHH-UHFFFAOYSA-N 1 0 355.501 4.532 40 0 FJABRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833334 571086785 /nfs/dbraw/zinc/08/67/85/571086785.db2.gz ZWJRRABWTCJSDX-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833461 571086992 /nfs/dbraw/zinc/08/69/92/571086992.db2.gz WLSONQXVTOPOAU-GOSISDBHSA-N 1 0 356.897 4.808 40 0 FJABRO CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833643 571087003 /nfs/dbraw/zinc/08/70/03/571087003.db2.gz KEAGTACVHNMEKE-SFHVURJKSA-N 1 0 356.897 4.753 40 0 FJABRO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833867 571087303 /nfs/dbraw/zinc/08/73/03/571087303.db2.gz UWJVHQICGBVXMO-OAHLLOKOSA-N 1 0 363.288 4.844 40 0 FJABRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000038835179 571087795 /nfs/dbraw/zinc/08/77/95/571087795.db2.gz LJTUGGUWKCUQJC-SFHVURJKSA-N 1 0 356.897 4.808 40 0 FJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000038853500 571088204 /nfs/dbraw/zinc/08/82/04/571088204.db2.gz GFCRUSXBRJBPHL-UHFFFAOYSA-N 1 0 360.860 4.963 40 0 FJABRO CC(C)(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044857200 571103438 /nfs/dbraw/zinc/10/34/38/571103438.db2.gz AJWQXAOYLLVJOO-UHFFFAOYSA-N 1 0 350.506 4.510 40 0 FJABRO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912821 571104759 /nfs/dbraw/zinc/10/47/59/571104759.db2.gz SVAWLAPZEJNREM-VQIMIIECSA-N 1 0 368.908 4.530 40 0 FJABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934014 571105302 /nfs/dbraw/zinc/10/53/02/571105302.db2.gz HCANGIHHYOOZER-MAUKXSAKSA-N 1 0 374.887 4.569 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000044934889 571105341 /nfs/dbraw/zinc/10/53/41/571105341.db2.gz FIHKZQWITWLVCN-HXUWFJFHSA-N 1 0 364.533 4.701 40 0 FJABRO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000055121043 571116466 /nfs/dbraw/zinc/11/64/66/571116466.db2.gz HZCXJFUBFQYCBD-UHFFFAOYSA-N 1 0 362.926 4.645 40 0 FJABRO Cc1oc2ccccc2c1C[N@@H+](CCCOC(C)C)Cc1ccncc1 ZINC000057797126 571122590 /nfs/dbraw/zinc/12/25/90/571122590.db2.gz PJUQHTQPAZKBPL-UHFFFAOYSA-N 1 0 352.478 4.954 40 0 FJABRO C[C@@H]1CC2=C(C[C@H]1[C@H]1NC(=[NH2+])Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000245237928 571137037 /nfs/dbraw/zinc/13/70/37/571137037.db2.gz KCELIKSTAFGHFD-MUKKUYKPSA-N 1 0 363.509 4.637 40 0 FJABRO c1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235531 571152772 /nfs/dbraw/zinc/15/27/72/571152772.db2.gz GYFMXGMMSZSCBN-FQEVSTJZSA-N 1 0 373.500 4.510 40 0 FJABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)CSCC[NH3+] ZINC000026570714 571174060 /nfs/dbraw/zinc/17/40/60/571174060.db2.gz QNALNJDVSSJNFL-YSNDBMGOSA-N 1 0 365.627 4.842 40 0 FJABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348809 571180149 /nfs/dbraw/zinc/18/01/49/571180149.db2.gz XPGFEMDKXVPLKT-FQEVSTJZSA-N 1 0 359.473 4.532 40 0 FJABRO Fc1ccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348818 571180287 /nfs/dbraw/zinc/18/02/87/571180287.db2.gz MBVYXOCYROPMRH-HXUWFJFHSA-N 1 0 361.464 4.586 40 0 FJABRO Fc1cccc(Cc2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348949 571180535 /nfs/dbraw/zinc/18/05/35/571180535.db2.gz HWQIYSNDAWXHKB-LJQANCHMSA-N 1 0 361.464 4.586 40 0 FJABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350243 571181702 /nfs/dbraw/zinc/18/17/02/571181702.db2.gz BTVVVSKNMTUODX-NRFANRHFSA-N 1 0 372.516 4.789 40 0 FJABRO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072356010 571182255 /nfs/dbraw/zinc/18/22/55/571182255.db2.gz YELBNIBNVOLEQM-QHCPKHFHSA-N 1 0 357.501 4.755 40 0 FJABRO Cc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369990 571185124 /nfs/dbraw/zinc/18/51/24/571185124.db2.gz JJIILQKHALFITJ-IBGZPJMESA-N 1 0 370.456 4.583 40 0 FJABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cnn1C ZINC000072372453 571185416 /nfs/dbraw/zinc/18/54/16/571185416.db2.gz FEHVLNLSJWBTTG-XMMPIXPASA-N 1 0 374.532 4.668 40 0 FJABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375272 571185613 /nfs/dbraw/zinc/18/56/13/571185613.db2.gz HZMFECFILUAHKF-SFHVURJKSA-N 1 0 350.491 4.927 40 0 FJABRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1C ZINC000072376436 571185958 /nfs/dbraw/zinc/18/59/58/571185958.db2.gz GMRXBCYYNSDXSO-NRFANRHFSA-N 1 0 373.504 4.878 40 0 FJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379091 571187852 /nfs/dbraw/zinc/18/78/52/571187852.db2.gz UIXFWAQRGTULBJ-HXUWFJFHSA-N 1 0 360.505 4.770 40 0 FJABRO FC(F)c1cc([C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2c2ccccc2)[nH]n1 ZINC000072389756 571189324 /nfs/dbraw/zinc/18/93/24/571189324.db2.gz GYKZZEATVMLHRZ-MOPGFXCFSA-N 1 0 367.443 4.773 40 0 FJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccc(C)cc4)C3)o2)s1 ZINC000072390095 571189662 /nfs/dbraw/zinc/18/96/62/571189662.db2.gz OODKBXQKLGMKID-KRWDZBQOSA-N 1 0 353.491 4.795 40 0 FJABRO Fc1ccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131067 571213786 /nfs/dbraw/zinc/21/37/86/571213786.db2.gz JVOPSZFPJJXMQS-OAQYLSRUSA-N 1 0 372.447 4.873 40 0 FJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000009062963 571302361 /nfs/dbraw/zinc/30/23/61/571302361.db2.gz KNVAFQKXNGGPBO-UHFFFAOYSA-N 1 0 366.505 4.633 40 0 FJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1 ZINC000009063072 571302553 /nfs/dbraw/zinc/30/25/53/571302553.db2.gz JHYZJTCBYHMXTI-UHFFFAOYSA-N 1 0 366.505 4.633 40 0 FJABRO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC000009063479 571302594 /nfs/dbraw/zinc/30/25/94/571302594.db2.gz MTIPEPXAPMIGML-UHFFFAOYSA-N 1 0 360.860 4.638 40 0 FJABRO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063601 571302679 /nfs/dbraw/zinc/30/26/79/571302679.db2.gz SYZDISIWOFUIFJ-UHFFFAOYSA-N 1 0 354.469 4.800 40 0 FJABRO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@H+](C)C3CCCCC3)cc2)C1 ZINC000019711931 571304675 /nfs/dbraw/zinc/30/46/75/571304675.db2.gz CGTKDXCYEWHLDN-PKTZIBPZSA-N 1 0 372.553 4.540 40 0 FJABRO